USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 832 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 637 SER OG : rot 123:sc= 0.937 USER MOD Set 1.2: A 638 MET CE :methyl 144:sc= -3.03 (180deg=-3.92!) USER MOD Set 2.1: A 588 TYR OH : rot 180:sc= -1.32 USER MOD Set 2.2: A 622 GLN : amide:sc= -6.09 K(o=-8,f=-15!) USER MOD Set 2.3: A 629 LYS NZ :NH3+ -168:sc= -0.601 (180deg=-0.169) USER MOD Set 3.1: A 579 ASN : amide:sc= -3.96! C(o=-7.3!,f=-5.9!) USER MOD Set 3.2: A 581 ASN : amide:sc= -3.35! C(o=-7.3!,f=-5.9!) USER MOD Set 4.1: A 556 CYS SG : rot 157:sc= 1.38 USER MOD Set 4.2: A 559 CYS SG : rot -4:sc= -20.9! USER MOD Set 4.3: A 612 CYS SG : rot -122:sc= 0.0852 USER MOD Set 4.4: A 615 CYS SG : rot 39:sc= -23.1! USER MOD Set 5.1: A 553 GLN : amide:sc= -0.31 K(o=-1.9,f=-3!) USER MOD Set 5.2: A 565 HIS : no HD1:sc= -1.59 K(o=-1.9,f=-0.4) USER MOD Single : A 546 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.021) USER MOD Single : A 551 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-3!) USER MOD Single : A 558 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.2) USER MOD Single : A 560 MET CE :methyl -140:sc= -2.55 (180deg=-8.19!) USER MOD Single : A 567 SER OG : rot -32:sc= -0.042 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot 158:sc= 0.166 USER MOD Single : A 576 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-2.4!) USER MOD Single : A 577 HIS : no HE2:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 583 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.23) USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 587 TYR OH : rot 180:sc= 0 USER MOD Single : A 589 ASN : amide:sc= -4.02! K(o=-4!,f=-0.89) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 31:sc= 0.336 USER MOD Single : A 614 ASN : amide:sc= -3.48 K(o=-3.5,f=-2.7!) USER MOD Single : A 623 MET CE :methyl 179:sc= -0.965 (180deg=-0.969) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -50:sc= 0.537 USER MOD Single : A 634 LYS NZ :NH3+ 159:sc= -0.225 (180deg=-0.624) USER MOD Single : A 642 THR OG1 : rot -98:sc= 0.443 USER MOD Single : A 644 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.47) USER MOD Single : A 648 GLN : amide:sc= -6.16! C(o=-6.2!,f=-14!) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot -19:sc= 0.283 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 4.881 -5.761 2.567 1.00 52.24 N ATOM 57 CA GLN A 546 5.606 -6.681 3.425 1.00 21.55 C ATOM 58 C GLN A 546 4.669 -7.275 4.479 1.00 75.44 C ATOM 59 O GLN A 546 3.613 -6.712 4.764 1.00 42.31 O ATOM 60 CB GLN A 546 6.802 -5.991 4.083 1.00 2.24 C ATOM 61 CG GLN A 546 6.360 -5.159 5.289 1.00 40.21 C ATOM 62 CD GLN A 546 7.488 -4.242 5.766 1.00 23.10 C ATOM 63 OE1 GLN A 546 7.908 -4.275 6.911 1.00 32.43 O ATOM 64 NE2 GLN A 546 7.955 -3.424 4.827 1.00 73.23 N ATOM 0 HA GLN A 546 5.991 -7.494 2.809 1.00 21.55 H new ATOM 0 HB2 GLN A 546 7.529 -6.739 4.399 1.00 2.24 H new ATOM 0 HB3 GLN A 546 7.301 -5.349 3.357 1.00 2.24 H new ATOM 0 HG2 GLN A 546 5.488 -4.561 5.023 1.00 40.21 H new ATOM 0 HG3 GLN A 546 6.057 -5.821 6.100 1.00 40.21 H new ATOM 0 HE21 GLN A 546 7.559 -3.447 3.887 1.00 73.23 H new ATOM 0 HE22 GLN A 546 8.709 -2.774 5.046 1.00 73.23 H new ATOM 73 N PHE A 547 5.088 -8.406 5.028 1.00 74.15 N ATOM 74 CA PHE A 547 4.298 -9.083 6.043 1.00 44.41 C ATOM 75 C PHE A 547 5.199 -9.825 7.033 1.00 54.50 C ATOM 76 O PHE A 547 5.632 -10.944 6.765 1.00 71.00 O ATOM 77 CB PHE A 547 3.412 -10.098 5.318 1.00 4.40 C ATOM 78 CG PHE A 547 2.991 -9.664 3.912 1.00 22.14 C ATOM 79 CD1 PHE A 547 3.926 -9.527 2.934 1.00 2.24 C ATOM 80 CD2 PHE A 547 1.682 -9.416 3.641 1.00 12.01 C ATOM 81 CE1 PHE A 547 3.535 -9.125 1.630 1.00 43.42 C ATOM 82 CE2 PHE A 547 1.291 -9.014 2.337 1.00 50.34 C ATOM 83 CZ PHE A 547 2.226 -8.876 1.358 1.00 31.55 C ATOM 0 H PHE A 547 5.964 -8.871 4.789 1.00 74.15 H new ATOM 0 HA PHE A 547 3.709 -8.356 6.602 1.00 44.41 H new ATOM 0 HB2 PHE A 547 3.944 -11.047 5.250 1.00 4.40 H new ATOM 0 HB3 PHE A 547 2.518 -10.276 5.915 1.00 4.40 H new ATOM 0 HD1 PHE A 547 4.966 -9.724 3.149 1.00 2.24 H new ATOM 0 HD2 PHE A 547 0.940 -9.525 4.418 1.00 12.01 H new ATOM 0 HE1 PHE A 547 4.278 -9.017 0.853 1.00 43.42 H new ATOM 0 HE2 PHE A 547 0.251 -8.818 2.122 1.00 50.34 H new ATOM 0 HZ PHE A 547 1.929 -8.569 0.366 1.00 31.55 H new ATOM 93 N PRO A 548 5.460 -9.153 8.186 1.00 21.25 N ATOM 94 CA PRO A 548 6.301 -9.737 9.218 1.00 51.31 C ATOM 95 C PRO A 548 5.551 -10.829 9.983 1.00 25.40 C ATOM 96 O PRO A 548 4.432 -10.613 10.444 1.00 1.35 O ATOM 97 CB PRO A 548 6.710 -8.568 10.100 1.00 62.35 C ATOM 98 CG PRO A 548 5.715 -7.457 9.807 1.00 45.32 C ATOM 99 CD PRO A 548 4.964 -7.826 8.538 1.00 2.21 C ATOM 0 HA PRO A 548 7.179 -10.239 8.811 1.00 51.31 H new ATOM 0 HB2 PRO A 548 6.686 -8.846 11.154 1.00 62.35 H new ATOM 0 HB3 PRO A 548 7.728 -8.249 9.878 1.00 62.35 H new ATOM 0 HG2 PRO A 548 5.022 -7.336 10.639 1.00 45.32 H new ATOM 0 HG3 PRO A 548 6.231 -6.505 9.682 1.00 45.32 H new ATOM 0 HD2 PRO A 548 3.887 -7.837 8.705 1.00 2.21 H new ATOM 0 HD3 PRO A 548 5.156 -7.107 7.741 1.00 2.21 H new ATOM 107 N VAL A 549 6.199 -11.980 10.094 1.00 1.10 N ATOM 108 CA VAL A 549 5.608 -13.107 10.795 1.00 1.24 C ATOM 109 C VAL A 549 5.054 -12.631 12.140 1.00 22.41 C ATOM 110 O VAL A 549 3.982 -13.062 12.561 1.00 32.41 O ATOM 111 CB VAL A 549 6.635 -14.233 10.936 1.00 12.51 C ATOM 112 CG1 VAL A 549 7.110 -14.716 9.564 1.00 12.24 C ATOM 113 CG2 VAL A 549 7.817 -13.791 11.802 1.00 73.52 C ATOM 0 H VAL A 549 7.127 -12.156 9.710 1.00 1.10 H new ATOM 0 HA VAL A 549 4.773 -13.516 10.226 1.00 1.24 H new ATOM 0 HB VAL A 549 6.148 -15.071 11.436 1.00 12.51 H new ATOM 0 HG11 VAL A 549 7.839 -15.516 9.692 1.00 12.24 H new ATOM 0 HG12 VAL A 549 6.259 -15.089 8.995 1.00 12.24 H new ATOM 0 HG13 VAL A 549 7.571 -13.888 9.026 1.00 12.24 H new ATOM 0 HG21 VAL A 549 8.532 -14.609 11.886 1.00 73.52 H new ATOM 0 HG22 VAL A 549 8.303 -12.930 11.343 1.00 73.52 H new ATOM 0 HG23 VAL A 549 7.459 -13.518 12.795 1.00 73.52 H new ATOM 123 N GLU A 550 5.810 -11.749 12.777 1.00 65.42 N ATOM 124 CA GLU A 550 5.409 -11.211 14.065 1.00 13.31 C ATOM 125 C GLU A 550 4.030 -10.555 13.960 1.00 62.12 C ATOM 126 O GLU A 550 3.227 -10.639 14.887 1.00 13.24 O ATOM 127 CB GLU A 550 6.448 -10.220 14.593 1.00 30.15 C ATOM 128 CG GLU A 550 6.796 -9.173 13.533 1.00 22.24 C ATOM 129 CD GLU A 550 7.411 -7.927 14.174 1.00 32.25 C ATOM 130 OE1 GLU A 550 8.119 -7.167 13.498 1.00 51.04 O ATOM 131 OE2 GLU A 550 7.129 -7.761 15.422 1.00 1.23 O ATOM 0 H GLU A 550 6.699 -11.393 12.425 1.00 65.42 H new ATOM 0 HA GLU A 550 5.346 -12.034 14.777 1.00 13.31 H new ATOM 0 HB2 GLU A 550 6.064 -9.726 15.485 1.00 30.15 H new ATOM 0 HB3 GLU A 550 7.350 -10.756 14.889 1.00 30.15 H new ATOM 0 HG2 GLU A 550 7.495 -9.598 12.812 1.00 22.24 H new ATOM 0 HG3 GLU A 550 5.898 -8.897 12.981 1.00 22.24 H new ATOM 139 N HIS A 551 3.799 -9.917 12.822 1.00 70.32 N ATOM 140 CA HIS A 551 2.532 -9.248 12.583 1.00 14.23 C ATOM 141 C HIS A 551 1.510 -10.256 12.053 1.00 64.12 C ATOM 142 O HIS A 551 0.305 -10.048 12.177 1.00 15.21 O ATOM 143 CB HIS A 551 2.718 -8.047 11.653 1.00 30.52 C ATOM 144 CG HIS A 551 3.380 -6.859 12.309 1.00 35.03 C ATOM 145 ND1 HIS A 551 3.644 -5.680 11.634 1.00 73.54 N ATOM 146 CD2 HIS A 551 3.826 -6.680 13.586 1.00 41.34 C ATOM 147 CE1 HIS A 551 4.224 -4.837 12.475 1.00 61.33 C ATOM 148 NE2 HIS A 551 4.337 -5.459 13.684 1.00 53.42 N ATOM 0 H HIS A 551 4.468 -9.849 12.055 1.00 70.32 H new ATOM 0 HA HIS A 551 2.145 -8.851 13.521 1.00 14.23 H new ATOM 0 HB2 HIS A 551 3.315 -8.354 10.794 1.00 30.52 H new ATOM 0 HB3 HIS A 551 1.744 -7.742 11.271 1.00 30.52 H new ATOM 0 HD2 HIS A 551 3.772 -7.408 14.382 1.00 41.34 H new ATOM 0 HE1 HIS A 551 4.550 -3.834 12.244 1.00 61.33 H new ATOM 0 HE2 HIS A 551 4.747 -5.052 14.525 1.00 53.42 H new ATOM 156 N VAL A 552 2.031 -11.327 11.473 1.00 70.44 N ATOM 157 CA VAL A 552 1.180 -12.369 10.923 1.00 52.34 C ATOM 158 C VAL A 552 0.756 -13.320 12.044 1.00 53.34 C ATOM 159 O VAL A 552 1.598 -13.956 12.675 1.00 3.51 O ATOM 160 CB VAL A 552 1.899 -13.081 9.775 1.00 52.51 C ATOM 161 CG1 VAL A 552 1.032 -14.200 9.195 1.00 53.31 C ATOM 162 CG2 VAL A 552 2.312 -12.087 8.687 1.00 21.20 C ATOM 0 H VAL A 552 3.032 -11.496 11.372 1.00 70.44 H new ATOM 0 HA VAL A 552 0.272 -11.937 10.502 1.00 52.34 H new ATOM 0 HB VAL A 552 2.805 -13.534 10.177 1.00 52.51 H new ATOM 0 HG11 VAL A 552 1.567 -14.690 8.381 1.00 53.31 H new ATOM 0 HG12 VAL A 552 0.810 -14.929 9.974 1.00 53.31 H new ATOM 0 HG13 VAL A 552 0.101 -13.779 8.816 1.00 53.31 H new ATOM 0 HG21 VAL A 552 2.821 -12.618 7.883 1.00 21.20 H new ATOM 0 HG22 VAL A 552 1.425 -11.592 8.291 1.00 21.20 H new ATOM 0 HG23 VAL A 552 2.984 -11.341 9.112 1.00 21.20 H new ATOM 172 N GLN A 553 -0.550 -13.387 12.257 1.00 73.13 N ATOM 173 CA GLN A 553 -1.096 -14.250 13.290 1.00 14.25 C ATOM 174 C GLN A 553 -1.860 -15.416 12.660 1.00 60.11 C ATOM 175 O GLN A 553 -2.101 -15.425 11.454 1.00 64.33 O ATOM 176 CB GLN A 553 -1.993 -13.460 14.246 1.00 30.32 C ATOM 177 CG GLN A 553 -2.201 -14.221 15.557 1.00 31.03 C ATOM 178 CD GLN A 553 -2.549 -13.263 16.698 1.00 55.30 C ATOM 179 OE1 GLN A 553 -1.848 -13.157 17.691 1.00 72.32 O ATOM 180 NE2 GLN A 553 -3.669 -12.572 16.501 1.00 1.14 N ATOM 0 H GLN A 553 -1.246 -12.858 11.732 1.00 73.13 H new ATOM 0 HA GLN A 553 -0.268 -14.656 13.871 1.00 14.25 H new ATOM 0 HB2 GLN A 553 -1.544 -12.489 14.453 1.00 30.32 H new ATOM 0 HB3 GLN A 553 -2.957 -13.272 13.774 1.00 30.32 H new ATOM 0 HG2 GLN A 553 -3.000 -14.952 15.434 1.00 31.03 H new ATOM 0 HG3 GLN A 553 -1.297 -14.776 15.807 1.00 31.03 H new ATOM 0 HE21 GLN A 553 -4.209 -12.709 15.647 1.00 1.14 H new ATOM 0 HE22 GLN A 553 -3.987 -11.905 17.204 1.00 1.14 H new ATOM 189 N LEU A 554 -2.220 -16.372 13.504 1.00 1.52 N ATOM 190 CA LEU A 554 -2.951 -17.540 13.045 1.00 53.04 C ATOM 191 C LEU A 554 -4.385 -17.481 13.576 1.00 2.41 C ATOM 192 O LEU A 554 -4.621 -17.707 14.762 1.00 61.33 O ATOM 193 CB LEU A 554 -2.207 -18.822 13.425 1.00 51.42 C ATOM 194 CG LEU A 554 -1.035 -19.210 12.521 1.00 52.02 C ATOM 195 CD1 LEU A 554 -0.826 -20.725 12.516 1.00 62.44 C ATOM 196 CD2 LEU A 554 -1.224 -18.653 11.109 1.00 40.54 C ATOM 0 H LEU A 554 -2.019 -16.361 14.504 1.00 1.52 H new ATOM 0 HA LEU A 554 -3.014 -17.546 11.957 1.00 53.04 H new ATOM 0 HB2 LEU A 554 -1.834 -18.714 14.444 1.00 51.42 H new ATOM 0 HB3 LEU A 554 -2.922 -19.645 13.433 1.00 51.42 H new ATOM 0 HG LEU A 554 -0.128 -18.761 12.925 1.00 52.02 H new ATOM 0 HD11 LEU A 554 0.013 -20.974 11.866 1.00 62.44 H new ATOM 0 HD12 LEU A 554 -0.614 -21.066 13.529 1.00 62.44 H new ATOM 0 HD13 LEU A 554 -1.728 -21.215 12.149 1.00 62.44 H new ATOM 0 HD21 LEU A 554 -0.377 -18.943 10.487 1.00 40.54 H new ATOM 0 HD22 LEU A 554 -2.143 -19.053 10.680 1.00 40.54 H new ATOM 0 HD23 LEU A 554 -1.287 -17.566 11.152 1.00 40.54 H new ATOM 208 N LEU A 555 -5.304 -17.174 12.673 1.00 75.51 N ATOM 209 CA LEU A 555 -6.708 -17.082 13.036 1.00 75.41 C ATOM 210 C LEU A 555 -7.521 -18.037 12.159 1.00 53.34 C ATOM 211 O LEU A 555 -7.040 -18.583 11.167 1.00 44.45 O ATOM 212 CB LEU A 555 -7.185 -15.630 12.970 1.00 42.11 C ATOM 213 CG LEU A 555 -6.220 -14.582 13.527 1.00 4.50 C ATOM 214 CD1 LEU A 555 -4.901 -14.584 12.752 1.00 43.32 C ATOM 215 CD2 LEU A 555 -6.869 -13.196 13.550 1.00 24.21 C ATOM 0 H LEU A 555 -5.104 -16.986 11.691 1.00 75.51 H new ATOM 0 HA LEU A 555 -6.855 -17.395 14.070 1.00 75.41 H new ATOM 0 HB2 LEU A 555 -7.396 -15.384 11.929 1.00 42.11 H new ATOM 0 HB3 LEU A 555 -8.127 -15.553 13.513 1.00 42.11 H new ATOM 0 HG LEU A 555 -5.988 -14.846 14.559 1.00 4.50 H new ATOM 0 HD11 LEU A 555 -4.233 -13.830 13.168 1.00 43.32 H new ATOM 0 HD12 LEU A 555 -4.434 -15.566 12.831 1.00 43.32 H new ATOM 0 HD13 LEU A 555 -5.095 -14.358 11.703 1.00 43.32 H new ATOM 0 HD21 LEU A 555 -6.162 -12.470 13.950 1.00 24.21 H new ATOM 0 HD22 LEU A 555 -7.150 -12.909 12.537 1.00 24.21 H new ATOM 0 HD23 LEU A 555 -7.759 -13.221 14.179 1.00 24.21 H new ATOM 227 N CYS A 556 -8.777 -18.227 12.550 1.00 75.20 N ATOM 228 CA CYS A 556 -9.681 -19.108 11.820 1.00 22.42 C ATOM 229 C CYS A 556 -10.600 -18.307 10.902 1.00 24.41 C ATOM 230 O CYS A 556 -11.515 -17.648 11.393 1.00 63.11 O ATOM 231 CB CYS A 556 -10.516 -19.939 12.796 1.00 22.31 C ATOM 232 SG CYS A 556 -11.137 -21.503 12.098 1.00 73.24 S ATOM 0 H CYS A 556 -9.192 -17.782 13.369 1.00 75.20 H new ATOM 0 HA CYS A 556 -9.078 -19.777 11.207 1.00 22.42 H new ATOM 0 HB2 CYS A 556 -9.913 -20.161 13.676 1.00 22.31 H new ATOM 0 HB3 CYS A 556 -11.363 -19.342 13.132 1.00 22.31 H new ATOM 0 HG CYS A 556 -11.398 -22.335 13.062 1.00 73.24 H new ATOM 237 N ILE A 557 -10.339 -18.380 9.605 1.00 21.22 N ATOM 238 CA ILE A 557 -11.148 -17.658 8.638 1.00 63.34 C ATOM 239 C ILE A 557 -12.607 -17.659 9.097 1.00 30.41 C ATOM 240 O ILE A 557 -13.343 -16.707 8.842 1.00 63.32 O ATOM 241 CB ILE A 557 -10.944 -18.233 7.234 1.00 13.13 C ATOM 242 CG1 ILE A 557 -11.975 -19.323 6.934 1.00 61.24 C ATOM 243 CG2 ILE A 557 -9.510 -18.733 7.049 1.00 12.01 C ATOM 244 CD1 ILE A 557 -11.868 -19.793 5.482 1.00 61.34 C ATOM 0 H ILE A 557 -9.579 -18.928 9.202 1.00 21.22 H new ATOM 0 HA ILE A 557 -10.833 -16.616 8.580 1.00 63.34 H new ATOM 0 HB ILE A 557 -11.101 -17.433 6.510 1.00 13.13 H new ATOM 0 HG12 ILE A 557 -11.823 -20.168 7.606 1.00 61.24 H new ATOM 0 HG13 ILE A 557 -12.978 -18.942 7.124 1.00 61.24 H new ATOM 0 HG21 ILE A 557 -9.392 -19.136 6.043 1.00 12.01 H new ATOM 0 HG22 ILE A 557 -8.815 -17.906 7.192 1.00 12.01 H new ATOM 0 HG23 ILE A 557 -9.300 -19.514 7.780 1.00 12.01 H new ATOM 0 HD11 ILE A 557 -12.612 -20.568 5.295 1.00 61.34 H new ATOM 0 HD12 ILE A 557 -12.045 -18.951 4.813 1.00 61.34 H new ATOM 0 HD13 ILE A 557 -10.871 -20.196 5.302 1.00 61.34 H new ATOM 256 N ASN A 558 -12.982 -18.739 9.767 1.00 73.21 N ATOM 257 CA ASN A 558 -14.341 -18.877 10.264 1.00 5.14 C ATOM 258 C ASN A 558 -14.483 -18.091 11.570 1.00 71.34 C ATOM 259 O ASN A 558 -15.213 -17.103 11.627 1.00 41.23 O ATOM 260 CB ASN A 558 -14.675 -20.341 10.555 1.00 22.22 C ATOM 261 CG ASN A 558 -15.146 -21.058 9.288 1.00 31.13 C ATOM 262 OD1 ASN A 558 -14.611 -20.879 8.207 1.00 43.32 O ATOM 263 ND2 ASN A 558 -16.175 -21.878 9.482 1.00 53.12 N ATOM 0 H ASN A 558 -12.369 -19.526 9.977 1.00 73.21 H new ATOM 0 HA ASN A 558 -15.020 -18.497 9.500 1.00 5.14 H new ATOM 0 HB2 ASN A 558 -13.796 -20.845 10.957 1.00 22.22 H new ATOM 0 HB3 ASN A 558 -15.451 -20.396 11.318 1.00 22.22 H new ATOM 0 HD21 ASN A 558 -16.563 -22.403 8.699 1.00 53.12 H new ATOM 0 HD22 ASN A 558 -16.576 -21.981 10.414 1.00 53.12 H new ATOM 270 N CYS A 559 -13.774 -18.560 12.586 1.00 73.52 N ATOM 271 CA CYS A 559 -13.813 -17.914 13.887 1.00 64.23 C ATOM 272 C CYS A 559 -13.069 -16.581 13.783 1.00 62.31 C ATOM 273 O CYS A 559 -13.664 -15.519 13.957 1.00 20.04 O ATOM 274 CB CYS A 559 -13.229 -18.810 14.981 1.00 64.12 C ATOM 275 SG CYS A 559 -13.885 -20.518 15.006 1.00 61.24 S ATOM 0 H CYS A 559 -13.169 -19.380 12.535 1.00 73.52 H new ATOM 0 HA CYS A 559 -14.848 -17.730 14.174 1.00 64.23 H new ATOM 0 HB2 CYS A 559 -12.147 -18.853 14.856 1.00 64.12 H new ATOM 0 HB3 CYS A 559 -13.420 -18.348 15.950 1.00 64.12 H new ATOM 0 HG CYS A 559 -14.820 -20.637 14.111 1.00 61.24 H new ATOM 280 N MET A 560 -11.778 -16.681 13.499 1.00 14.35 N ATOM 281 CA MET A 560 -10.947 -15.496 13.370 1.00 10.05 C ATOM 282 C MET A 560 -10.753 -14.812 14.725 1.00 30.03 C ATOM 283 O MET A 560 -10.996 -13.614 14.860 1.00 3.32 O ATOM 284 CB MET A 560 -11.601 -14.517 12.393 1.00 31.13 C ATOM 285 CG MET A 560 -10.968 -14.624 11.004 1.00 12.24 C ATOM 286 SD MET A 560 -11.885 -13.631 9.838 1.00 45.10 S ATOM 287 CE MET A 560 -13.527 -14.279 10.102 1.00 64.22 C ATOM 0 H MET A 560 -11.288 -17.564 13.355 1.00 14.35 H new ATOM 0 HA MET A 560 -9.970 -15.800 12.994 1.00 10.05 H new ATOM 0 HB2 MET A 560 -12.669 -14.723 12.327 1.00 31.13 H new ATOM 0 HB3 MET A 560 -11.495 -13.499 12.767 1.00 31.13 H new ATOM 0 HG2 MET A 560 -9.931 -14.291 11.041 1.00 12.24 H new ATOM 0 HG3 MET A 560 -10.957 -15.664 10.679 1.00 12.24 H new ATOM 0 HE1 MET A 560 -14.040 -14.370 9.145 1.00 64.22 H new ATOM 0 HE2 MET A 560 -13.460 -15.260 10.572 1.00 64.22 H new ATOM 0 HE3 MET A 560 -14.085 -13.603 10.750 1.00 64.22 H new ATOM 297 N VAL A 561 -10.317 -15.603 15.695 1.00 75.33 N ATOM 298 CA VAL A 561 -10.088 -15.089 17.034 1.00 31.12 C ATOM 299 C VAL A 561 -8.607 -15.238 17.386 1.00 5.40 C ATOM 300 O VAL A 561 -8.158 -14.745 18.420 1.00 41.31 O ATOM 301 CB VAL A 561 -11.012 -15.792 18.030 1.00 35.51 C ATOM 302 CG1 VAL A 561 -12.383 -16.064 17.408 1.00 75.21 C ATOM 303 CG2 VAL A 561 -10.379 -17.085 18.547 1.00 22.53 C ATOM 0 H VAL A 561 -10.116 -16.596 15.580 1.00 75.33 H new ATOM 0 HA VAL A 561 -10.329 -14.027 17.081 1.00 31.12 H new ATOM 0 HB VAL A 561 -11.156 -15.126 18.881 1.00 35.51 H new ATOM 0 HG11 VAL A 561 -13.020 -16.564 18.137 1.00 75.21 H new ATOM 0 HG12 VAL A 561 -12.842 -15.121 17.112 1.00 75.21 H new ATOM 0 HG13 VAL A 561 -12.265 -16.701 16.531 1.00 75.21 H new ATOM 0 HG21 VAL A 561 -11.057 -17.565 19.253 1.00 22.53 H new ATOM 0 HG22 VAL A 561 -10.191 -17.758 17.710 1.00 22.53 H new ATOM 0 HG23 VAL A 561 -9.438 -16.855 19.046 1.00 22.53 H new ATOM 313 N ALA A 562 -7.888 -15.919 16.506 1.00 4.11 N ATOM 314 CA ALA A 562 -6.466 -16.139 16.711 1.00 41.52 C ATOM 315 C ALA A 562 -6.267 -17.364 17.606 1.00 51.54 C ATOM 316 O ALA A 562 -6.530 -17.309 18.806 1.00 75.31 O ATOM 317 CB ALA A 562 -5.834 -14.876 17.301 1.00 31.43 C ATOM 0 H ALA A 562 -8.263 -16.326 15.649 1.00 4.11 H new ATOM 0 HA ALA A 562 -5.968 -16.340 15.762 1.00 41.52 H new ATOM 0 HB1 ALA A 562 -4.768 -15.041 17.455 1.00 31.43 H new ATOM 0 HB2 ALA A 562 -5.977 -14.042 16.613 1.00 31.43 H new ATOM 0 HB3 ALA A 562 -6.307 -14.644 18.255 1.00 31.43 H new ATOM 323 N VAL A 563 -5.804 -18.440 16.987 1.00 51.32 N ATOM 324 CA VAL A 563 -5.567 -19.676 17.712 1.00 21.23 C ATOM 325 C VAL A 563 -4.060 -19.888 17.871 1.00 30.21 C ATOM 326 O VAL A 563 -3.629 -20.832 18.532 1.00 4.41 O ATOM 327 CB VAL A 563 -6.263 -20.840 17.004 1.00 31.11 C ATOM 328 CG1 VAL A 563 -7.716 -20.971 17.464 1.00 75.14 C ATOM 329 CG2 VAL A 563 -6.180 -20.686 15.484 1.00 12.42 C ATOM 0 H VAL A 563 -5.587 -18.481 15.991 1.00 51.32 H new ATOM 0 HA VAL A 563 -5.995 -19.620 18.713 1.00 21.23 H new ATOM 0 HB VAL A 563 -5.742 -21.758 17.276 1.00 31.11 H new ATOM 0 HG11 VAL A 563 -8.188 -21.806 16.946 1.00 75.14 H new ATOM 0 HG12 VAL A 563 -7.743 -21.150 18.539 1.00 75.14 H new ATOM 0 HG13 VAL A 563 -8.254 -20.051 17.236 1.00 75.14 H new ATOM 0 HG21 VAL A 563 -6.682 -21.527 15.005 1.00 12.42 H new ATOM 0 HG22 VAL A 563 -6.664 -19.756 15.186 1.00 12.42 H new ATOM 0 HG23 VAL A 563 -5.134 -20.666 15.177 1.00 12.42 H new ATOM 339 N GLY A 564 -3.301 -18.995 17.254 1.00 62.03 N ATOM 340 CA GLY A 564 -1.851 -19.072 17.318 1.00 32.53 C ATOM 341 C GLY A 564 -1.207 -17.846 16.669 1.00 11.20 C ATOM 342 O GLY A 564 -1.807 -16.773 16.629 1.00 14.13 O ATOM 0 H GLY A 564 -3.663 -18.214 16.707 1.00 62.03 H new ATOM 0 HA2 GLY A 564 -1.533 -19.146 18.358 1.00 32.53 H new ATOM 0 HA3 GLY A 564 -1.509 -19.976 16.814 1.00 32.53 H new ATOM 346 N HIS A 565 0.006 -18.045 16.176 1.00 24.52 N ATOM 347 CA HIS A 565 0.738 -16.969 15.531 1.00 65.03 C ATOM 348 C HIS A 565 1.407 -17.494 14.259 1.00 44.02 C ATOM 349 O HIS A 565 1.697 -18.685 14.151 1.00 3.54 O ATOM 350 CB HIS A 565 1.732 -16.329 16.502 1.00 11.22 C ATOM 351 CG HIS A 565 1.096 -15.777 17.756 1.00 21.31 C ATOM 352 ND1 HIS A 565 1.028 -14.422 18.029 1.00 64.14 N ATOM 353 CD2 HIS A 565 0.500 -16.412 18.806 1.00 12.41 C ATOM 354 CE1 HIS A 565 0.418 -14.260 19.193 1.00 11.31 C ATOM 355 NE2 HIS A 565 0.092 -15.494 19.674 1.00 54.23 N ATOM 0 H HIS A 565 0.501 -18.936 16.210 1.00 24.52 H new ATOM 0 HA HIS A 565 0.046 -16.179 15.237 1.00 65.03 H new ATOM 0 HB2 HIS A 565 2.480 -17.071 16.782 1.00 11.22 H new ATOM 0 HB3 HIS A 565 2.258 -15.524 15.989 1.00 11.22 H new ATOM 0 HD2 HIS A 565 0.380 -17.480 18.913 1.00 12.41 H new ATOM 0 HE1 HIS A 565 0.214 -13.316 19.677 1.00 11.31 H new ATOM 0 HE2 HIS A 565 -0.386 -15.681 20.555 1.00 54.23 H new ATOM 363 N GLY A 566 1.633 -16.580 13.327 1.00 42.32 N ATOM 364 CA GLY A 566 2.263 -16.935 12.066 1.00 34.34 C ATOM 365 C GLY A 566 3.782 -17.028 12.219 1.00 2.32 C ATOM 366 O GLY A 566 4.471 -17.515 11.324 1.00 21.13 O ATOM 0 H GLY A 566 1.391 -15.593 13.420 1.00 42.32 H new ATOM 0 HA2 GLY A 566 1.870 -17.889 11.715 1.00 34.34 H new ATOM 0 HA3 GLY A 566 2.015 -16.191 11.309 1.00 34.34 H new ATOM 370 N SER A 567 4.260 -16.552 13.360 1.00 42.14 N ATOM 371 CA SER A 567 5.686 -16.575 13.641 1.00 15.31 C ATOM 372 C SER A 567 6.002 -17.679 14.652 1.00 53.10 C ATOM 373 O SER A 567 7.138 -17.803 15.106 1.00 10.45 O ATOM 374 CB SER A 567 6.165 -15.220 14.167 1.00 33.43 C ATOM 375 OG SER A 567 7.576 -15.192 14.362 1.00 21.44 O ATOM 0 H SER A 567 3.686 -16.148 14.100 1.00 42.14 H new ATOM 0 HA SER A 567 6.215 -16.781 12.711 1.00 15.31 H new ATOM 0 HB2 SER A 567 5.881 -14.437 13.464 1.00 33.43 H new ATOM 0 HB3 SER A 567 5.664 -14.999 15.110 1.00 33.43 H new ATOM 0 HG SER A 567 7.889 -16.085 14.617 1.00 21.44 H new ATOM 381 N ASP A 568 4.976 -18.453 14.974 1.00 21.32 N ATOM 382 CA ASP A 568 5.130 -19.543 15.923 1.00 63.11 C ATOM 383 C ASP A 568 4.942 -20.876 15.196 1.00 24.43 C ATOM 384 O ASP A 568 5.276 -21.932 15.732 1.00 4.13 O ATOM 385 CB ASP A 568 4.082 -19.458 17.034 1.00 70.40 C ATOM 386 CG ASP A 568 4.468 -20.153 18.342 1.00 41.24 C ATOM 387 OD1 ASP A 568 4.962 -21.290 18.339 1.00 20.11 O ATOM 388 OD2 ASP A 568 4.240 -19.468 19.411 1.00 54.24 O ATOM 0 H ASP A 568 4.035 -18.347 14.595 1.00 21.32 H new ATOM 0 HA ASP A 568 6.126 -19.471 16.361 1.00 63.11 H new ATOM 0 HB2 ASP A 568 3.881 -18.407 17.244 1.00 70.40 H new ATOM 0 HB3 ASP A 568 3.152 -19.894 16.669 1.00 70.40 H new ATOM 394 N LEU A 569 4.408 -20.785 13.987 1.00 4.22 N ATOM 395 CA LEU A 569 4.172 -21.971 13.182 1.00 41.23 C ATOM 396 C LEU A 569 5.485 -22.408 12.528 1.00 54.32 C ATOM 397 O LEU A 569 6.348 -21.578 12.245 1.00 33.11 O ATOM 398 CB LEU A 569 3.040 -21.723 12.183 1.00 70.22 C ATOM 399 CG LEU A 569 3.141 -20.438 11.359 1.00 3.43 C ATOM 400 CD1 LEU A 569 4.583 -20.184 10.914 1.00 12.33 C ATOM 401 CD2 LEU A 569 2.173 -20.467 10.175 1.00 33.13 C ATOM 0 H LEU A 569 4.132 -19.908 13.545 1.00 4.22 H new ATOM 0 HA LEU A 569 3.838 -22.797 13.809 1.00 41.23 H new ATOM 0 HB2 LEU A 569 2.996 -22.569 11.497 1.00 70.22 H new ATOM 0 HB3 LEU A 569 2.097 -21.707 12.730 1.00 70.22 H new ATOM 0 HG LEU A 569 2.847 -19.602 11.994 1.00 3.43 H new ATOM 0 HD11 LEU A 569 4.627 -19.265 10.330 1.00 12.33 H new ATOM 0 HD12 LEU A 569 5.223 -20.088 11.791 1.00 12.33 H new ATOM 0 HD13 LEU A 569 4.928 -21.019 10.303 1.00 12.33 H new ATOM 0 HD21 LEU A 569 2.266 -19.542 9.607 1.00 33.13 H new ATOM 0 HD22 LEU A 569 2.411 -21.314 9.531 1.00 33.13 H new ATOM 0 HD23 LEU A 569 1.152 -20.566 10.542 1.00 33.13 H new ATOM 413 N ARG A 570 5.594 -23.709 12.306 1.00 33.45 N ATOM 414 CA ARG A 570 6.786 -24.266 11.691 1.00 24.52 C ATOM 415 C ARG A 570 6.403 -25.231 10.567 1.00 34.34 C ATOM 416 O ARG A 570 5.353 -25.870 10.624 1.00 21.24 O ATOM 417 CB ARG A 570 7.642 -25.008 12.720 1.00 1.43 C ATOM 418 CG ARG A 570 8.120 -24.059 13.821 1.00 12.25 C ATOM 419 CD ARG A 570 8.785 -24.833 14.962 1.00 41.45 C ATOM 420 NE ARG A 570 9.498 -23.897 15.860 1.00 73.10 N ATOM 421 CZ ARG A 570 8.889 -23.124 16.785 1.00 62.33 C ATOM 422 NH1 ARG A 570 7.549 -23.169 16.941 1.00 70.34 N ATOM 423 NH2 ARG A 570 9.624 -22.324 17.534 1.00 43.00 N ATOM 0 H ARG A 570 4.876 -24.394 12.541 1.00 33.45 H new ATOM 0 HA ARG A 570 7.365 -23.438 11.282 1.00 24.52 H new ATOM 0 HB2 ARG A 570 7.065 -25.821 13.161 1.00 1.43 H new ATOM 0 HB3 ARG A 570 8.502 -25.460 12.225 1.00 1.43 H new ATOM 0 HG2 ARG A 570 8.826 -23.340 13.405 1.00 12.25 H new ATOM 0 HG3 ARG A 570 7.275 -23.489 14.207 1.00 12.25 H new ATOM 0 HD2 ARG A 570 8.033 -25.387 15.524 1.00 41.45 H new ATOM 0 HD3 ARG A 570 9.484 -25.565 14.557 1.00 41.45 H new ATOM 0 HE ARG A 570 10.512 -23.832 15.775 1.00 73.10 H new ATOM 0 HH11 ARG A 570 6.988 -23.790 16.358 1.00 70.34 H new ATOM 0 HH12 ARG A 570 7.097 -22.582 17.642 1.00 70.34 H new ATOM 0 HH21 ARG A 570 10.636 -22.296 17.410 1.00 43.00 H new ATOM 0 HH22 ARG A 570 9.180 -21.733 18.237 1.00 43.00 H new ATOM 436 N LYS A 571 7.274 -25.307 9.572 1.00 11.41 N ATOM 437 CA LYS A 571 7.039 -26.183 8.437 1.00 44.31 C ATOM 438 C LYS A 571 7.883 -27.449 8.593 1.00 62.50 C ATOM 439 O LYS A 571 8.929 -27.427 9.240 1.00 61.12 O ATOM 440 CB LYS A 571 7.287 -25.437 7.124 1.00 0.32 C ATOM 441 CG LYS A 571 8.757 -25.031 6.993 1.00 74.43 C ATOM 442 CD LYS A 571 8.992 -24.231 5.710 1.00 12.34 C ATOM 443 CE LYS A 571 8.756 -25.097 4.472 1.00 72.32 C ATOM 444 NZ LYS A 571 9.402 -24.493 3.285 1.00 10.35 N ATOM 0 H LYS A 571 8.144 -24.776 9.528 1.00 11.41 H new ATOM 0 HA LYS A 571 5.995 -26.496 8.407 1.00 44.31 H new ATOM 0 HB2 LYS A 571 7.005 -26.070 6.283 1.00 0.32 H new ATOM 0 HB3 LYS A 571 6.656 -24.549 7.081 1.00 0.32 H new ATOM 0 HG2 LYS A 571 9.052 -24.435 7.857 1.00 74.43 H new ATOM 0 HG3 LYS A 571 9.385 -25.922 6.991 1.00 74.43 H new ATOM 0 HD2 LYS A 571 8.325 -23.369 5.688 1.00 12.34 H new ATOM 0 HD3 LYS A 571 10.012 -23.846 5.699 1.00 12.34 H new ATOM 0 HE2 LYS A 571 9.154 -26.098 4.640 1.00 72.32 H new ATOM 0 HE3 LYS A 571 7.686 -25.205 4.295 1.00 72.32 H new ATOM 0 HZ1 LYS A 571 9.232 -25.094 2.454 1.00 10.35 H new ATOM 0 HZ2 LYS A 571 9.003 -23.547 3.116 1.00 10.35 H new ATOM 0 HZ3 LYS A 571 10.426 -24.413 3.450 1.00 10.35 H new ATOM 457 N VAL A 572 7.397 -28.524 7.989 1.00 11.04 N ATOM 458 CA VAL A 572 8.093 -29.798 8.053 1.00 3.32 C ATOM 459 C VAL A 572 8.634 -30.149 6.666 1.00 53.35 C ATOM 460 O VAL A 572 7.878 -30.560 5.787 1.00 74.21 O ATOM 461 CB VAL A 572 7.166 -30.873 8.623 1.00 20.13 C ATOM 462 CG1 VAL A 572 7.570 -32.264 8.129 1.00 3.54 C ATOM 463 CG2 VAL A 572 7.140 -30.820 10.152 1.00 30.21 C ATOM 0 H VAL A 572 6.529 -28.539 7.453 1.00 11.04 H new ATOM 0 HA VAL A 572 8.947 -29.733 8.728 1.00 3.32 H new ATOM 0 HB VAL A 572 6.157 -30.670 8.264 1.00 20.13 H new ATOM 0 HG11 VAL A 572 6.895 -33.010 8.549 1.00 3.54 H new ATOM 0 HG12 VAL A 572 7.513 -32.295 7.041 1.00 3.54 H new ATOM 0 HG13 VAL A 572 8.591 -32.480 8.445 1.00 3.54 H new ATOM 0 HG21 VAL A 572 6.474 -31.594 10.532 1.00 30.21 H new ATOM 0 HG22 VAL A 572 8.146 -30.985 10.539 1.00 30.21 H new ATOM 0 HG23 VAL A 572 6.782 -29.843 10.476 1.00 30.21 H new ATOM 473 N GLU A 573 9.938 -29.973 6.512 1.00 71.23 N ATOM 474 CA GLU A 573 10.588 -30.266 5.246 1.00 63.32 C ATOM 475 C GLU A 573 9.742 -29.747 4.082 1.00 61.14 C ATOM 476 O GLU A 573 9.681 -30.375 3.026 1.00 72.12 O ATOM 477 CB GLU A 573 10.858 -31.765 5.102 1.00 72.40 C ATOM 478 CG GLU A 573 9.554 -32.565 5.159 1.00 4.21 C ATOM 479 CD GLU A 573 9.791 -34.027 4.776 1.00 51.03 C ATOM 480 OE1 GLU A 573 9.935 -34.884 5.660 1.00 73.30 O ATOM 481 OE2 GLU A 573 9.822 -34.260 3.507 1.00 14.13 O ATOM 0 H GLU A 573 10.562 -29.631 7.243 1.00 71.23 H new ATOM 0 HA GLU A 573 11.550 -29.754 5.227 1.00 63.32 H new ATOM 0 HB2 GLU A 573 11.366 -31.958 4.157 1.00 72.40 H new ATOM 0 HB3 GLU A 573 11.527 -32.096 5.897 1.00 72.40 H new ATOM 0 HG2 GLU A 573 9.134 -32.512 6.163 1.00 4.21 H new ATOM 0 HG3 GLU A 573 8.822 -32.122 4.484 1.00 4.21 H new ATOM 489 N GLY A 574 9.111 -28.606 4.314 1.00 52.44 N ATOM 490 CA GLY A 574 8.271 -27.995 3.297 1.00 11.02 C ATOM 491 C GLY A 574 7.378 -29.039 2.624 1.00 35.02 C ATOM 492 O GLY A 574 7.259 -29.063 1.400 1.00 35.12 O ATOM 0 H GLY A 574 9.164 -28.088 5.191 1.00 52.44 H new ATOM 0 HA2 GLY A 574 7.653 -27.219 3.749 1.00 11.02 H new ATOM 0 HA3 GLY A 574 8.896 -27.509 2.548 1.00 11.02 H new ATOM 496 N THR A 575 6.772 -29.876 3.454 1.00 65.54 N ATOM 497 CA THR A 575 5.894 -30.920 2.954 1.00 35.21 C ATOM 498 C THR A 575 4.448 -30.645 3.372 1.00 53.22 C ATOM 499 O THR A 575 3.516 -30.928 2.620 1.00 30.44 O ATOM 500 CB THR A 575 6.425 -32.265 3.454 1.00 72.01 C ATOM 501 OG1 THR A 575 7.408 -32.630 2.489 1.00 1.04 O ATOM 502 CG2 THR A 575 5.380 -33.379 3.361 1.00 51.35 C ATOM 0 H THR A 575 6.872 -29.852 4.469 1.00 65.54 H new ATOM 0 HA THR A 575 5.887 -30.942 1.864 1.00 35.21 H new ATOM 0 HB THR A 575 6.755 -32.163 4.488 1.00 72.01 H new ATOM 0 HG1 THR A 575 8.035 -33.269 2.887 1.00 1.04 H new ATOM 0 HG21 THR A 575 5.809 -34.311 3.728 1.00 51.35 H new ATOM 0 HG22 THR A 575 4.512 -33.115 3.966 1.00 51.35 H new ATOM 0 HG23 THR A 575 5.074 -33.505 2.323 1.00 51.35 H new ATOM 510 N HIS A 576 4.306 -30.096 4.569 1.00 13.50 N ATOM 511 CA HIS A 576 2.989 -29.779 5.096 1.00 41.32 C ATOM 512 C HIS A 576 3.132 -28.900 6.340 1.00 50.42 C ATOM 513 O HIS A 576 3.516 -29.382 7.404 1.00 1.43 O ATOM 514 CB HIS A 576 2.188 -31.055 5.360 1.00 24.25 C ATOM 515 CG HIS A 576 1.469 -31.592 4.146 1.00 63.11 C ATOM 516 ND1 HIS A 576 1.663 -32.876 3.667 1.00 75.10 N ATOM 517 CD2 HIS A 576 0.556 -31.006 3.320 1.00 71.24 C ATOM 518 CE1 HIS A 576 0.896 -33.044 2.600 1.00 73.23 C ATOM 519 NE2 HIS A 576 0.211 -31.884 2.386 1.00 61.03 N ATOM 0 H HIS A 576 5.081 -29.862 5.189 1.00 13.50 H new ATOM 0 HA HIS A 576 2.424 -29.212 4.356 1.00 41.32 H new ATOM 0 HB2 HIS A 576 2.862 -31.823 5.739 1.00 24.25 H new ATOM 0 HB3 HIS A 576 1.457 -30.857 6.144 1.00 24.25 H new ATOM 0 HD2 HIS A 576 0.178 -29.998 3.410 1.00 71.24 H new ATOM 0 HE1 HIS A 576 0.825 -33.942 2.004 1.00 73.23 H new ATOM 0 HE2 HIS A 576 -0.456 -31.718 1.633 1.00 61.03 H new ATOM 527 N HIS A 577 2.815 -27.625 6.164 1.00 30.31 N ATOM 528 CA HIS A 577 2.903 -26.674 7.259 1.00 21.22 C ATOM 529 C HIS A 577 2.297 -27.289 8.522 1.00 11.45 C ATOM 530 O HIS A 577 1.402 -28.129 8.441 1.00 41.31 O ATOM 531 CB HIS A 577 2.253 -25.343 6.876 1.00 20.24 C ATOM 532 CG HIS A 577 3.200 -24.361 6.229 1.00 0.01 C ATOM 533 ND1 HIS A 577 3.955 -24.673 5.112 1.00 5.32 N ATOM 534 CD2 HIS A 577 3.505 -23.071 6.553 1.00 72.54 C ATOM 535 CE1 HIS A 577 4.679 -23.612 4.788 1.00 44.35 C ATOM 536 NE2 HIS A 577 4.399 -22.621 5.682 1.00 41.53 N ATOM 0 H HIS A 577 2.497 -27.229 5.280 1.00 30.31 H new ATOM 0 HA HIS A 577 3.949 -26.453 7.471 1.00 21.22 H new ATOM 0 HB2 HIS A 577 1.426 -25.538 6.194 1.00 20.24 H new ATOM 0 HB3 HIS A 577 1.828 -24.887 7.770 1.00 20.24 H new ATOM 0 HD1 HIS A 577 3.954 -25.567 4.622 1.00 5.32 H new ATOM 0 HD2 HIS A 577 3.089 -22.512 7.378 1.00 72.54 H new ATOM 0 HE1 HIS A 577 5.370 -23.544 3.961 1.00 44.35 H new ATOM 544 N VAL A 578 2.809 -26.846 9.661 1.00 13.44 N ATOM 545 CA VAL A 578 2.329 -27.341 10.940 1.00 20.33 C ATOM 546 C VAL A 578 2.590 -26.290 12.020 1.00 4.45 C ATOM 547 O VAL A 578 3.735 -26.068 12.412 1.00 42.00 O ATOM 548 CB VAL A 578 2.975 -28.693 11.253 1.00 15.22 C ATOM 549 CG1 VAL A 578 2.282 -29.821 10.487 1.00 62.53 C ATOM 550 CG2 VAL A 578 4.475 -28.666 10.954 1.00 73.21 C ATOM 0 H VAL A 578 3.552 -26.150 9.725 1.00 13.44 H new ATOM 0 HA VAL A 578 1.253 -27.510 10.905 1.00 20.33 H new ATOM 0 HB VAL A 578 2.850 -28.886 12.318 1.00 15.22 H new ATOM 0 HG11 VAL A 578 2.760 -30.771 10.727 1.00 62.53 H new ATOM 0 HG12 VAL A 578 1.231 -29.862 10.772 1.00 62.53 H new ATOM 0 HG13 VAL A 578 2.361 -29.635 9.416 1.00 62.53 H new ATOM 0 HG21 VAL A 578 4.910 -29.639 11.185 1.00 73.21 H new ATOM 0 HG22 VAL A 578 4.632 -28.440 9.899 1.00 73.21 H new ATOM 0 HG23 VAL A 578 4.954 -27.900 11.564 1.00 73.21 H new ATOM 560 N ASN A 579 1.510 -25.670 12.471 1.00 12.25 N ATOM 561 CA ASN A 579 1.608 -24.647 13.499 1.00 52.23 C ATOM 562 C ASN A 579 1.639 -25.314 14.875 1.00 3.23 C ATOM 563 O ASN A 579 0.695 -26.003 15.257 1.00 71.43 O ATOM 564 CB ASN A 579 0.402 -23.707 13.457 1.00 54.45 C ATOM 565 CG ASN A 579 0.229 -22.976 14.790 1.00 71.13 C ATOM 566 OD1 ASN A 579 -0.806 -23.039 15.432 1.00 33.44 O ATOM 567 ND2 ASN A 579 1.298 -22.281 15.168 1.00 54.20 N ATOM 0 H ASN A 579 0.562 -25.856 12.144 1.00 12.25 H new ATOM 0 HA ASN A 579 2.518 -24.075 13.319 1.00 52.23 H new ATOM 0 HB2 ASN A 579 0.530 -22.981 12.654 1.00 54.45 H new ATOM 0 HB3 ASN A 579 -0.500 -24.276 13.231 1.00 54.45 H new ATOM 0 HD21 ASN A 579 1.283 -21.758 16.044 1.00 54.20 H new ATOM 0 HD22 ASN A 579 2.133 -22.271 14.582 1.00 54.20 H new ATOM 574 N VAL A 580 2.736 -25.085 15.583 1.00 15.14 N ATOM 575 CA VAL A 580 2.903 -25.655 16.909 1.00 34.14 C ATOM 576 C VAL A 580 2.367 -24.673 17.953 1.00 33.22 C ATOM 577 O VAL A 580 2.518 -23.461 17.806 1.00 72.41 O ATOM 578 CB VAL A 580 4.369 -26.029 17.137 1.00 14.04 C ATOM 579 CG1 VAL A 580 4.500 -27.087 18.234 1.00 23.43 C ATOM 580 CG2 VAL A 580 5.022 -26.502 15.837 1.00 23.05 C ATOM 0 H VAL A 580 3.517 -24.513 15.263 1.00 15.14 H new ATOM 0 HA VAL A 580 2.328 -26.576 17.004 1.00 34.14 H new ATOM 0 HB VAL A 580 4.896 -25.135 17.470 1.00 14.04 H new ATOM 0 HG11 VAL A 580 5.552 -27.335 18.376 1.00 23.43 H new ATOM 0 HG12 VAL A 580 4.090 -26.698 19.166 1.00 23.43 H new ATOM 0 HG13 VAL A 580 3.952 -27.983 17.943 1.00 23.43 H new ATOM 0 HG21 VAL A 580 6.064 -26.762 16.026 1.00 23.05 H new ATOM 0 HG22 VAL A 580 4.492 -27.377 15.461 1.00 23.05 H new ATOM 0 HG23 VAL A 580 4.976 -25.704 15.096 1.00 23.05 H new ATOM 590 N ASN A 581 1.752 -25.233 18.985 1.00 52.13 N ATOM 591 CA ASN A 581 1.193 -24.422 20.053 1.00 53.32 C ATOM 592 C ASN A 581 0.529 -25.334 21.086 1.00 31.12 C ATOM 593 O ASN A 581 -0.232 -26.232 20.729 1.00 63.20 O ATOM 594 CB ASN A 581 0.129 -23.462 19.516 1.00 35.34 C ATOM 595 CG ASN A 581 0.745 -22.113 19.141 1.00 24.35 C ATOM 596 OD1 ASN A 581 1.640 -21.607 19.798 1.00 0.53 O ATOM 597 ND2 ASN A 581 0.219 -21.562 18.052 1.00 40.13 N ATOM 0 H ASN A 581 1.629 -26.239 19.104 1.00 52.13 H new ATOM 0 HA ASN A 581 2.004 -23.848 20.500 1.00 53.32 H new ATOM 0 HB2 ASN A 581 -0.354 -23.901 18.643 1.00 35.34 H new ATOM 0 HB3 ASN A 581 -0.646 -23.315 20.268 1.00 35.34 H new ATOM 0 HD21 ASN A 581 0.563 -20.661 17.719 1.00 40.13 H new ATOM 0 HD22 ASN A 581 -0.529 -22.040 17.549 1.00 40.13 H new ATOM 604 N PRO A 582 0.849 -25.065 22.380 1.00 22.23 N ATOM 605 CA PRO A 582 0.293 -25.851 23.468 1.00 75.51 C ATOM 606 C PRO A 582 -1.171 -25.483 23.717 1.00 34.25 C ATOM 607 O PRO A 582 -2.029 -26.360 23.810 1.00 22.32 O ATOM 608 CB PRO A 582 1.189 -25.563 24.661 1.00 63.22 C ATOM 609 CG PRO A 582 1.929 -24.278 24.325 1.00 32.25 C ATOM 610 CD PRO A 582 1.746 -24.009 22.841 1.00 64.54 C ATOM 0 HA PRO A 582 0.276 -26.919 23.249 1.00 75.51 H new ATOM 0 HB2 PRO A 582 0.602 -25.449 25.572 1.00 63.22 H new ATOM 0 HB3 PRO A 582 1.887 -26.382 24.832 1.00 63.22 H new ATOM 0 HG2 PRO A 582 1.539 -23.448 24.914 1.00 32.25 H new ATOM 0 HG3 PRO A 582 2.987 -24.372 24.568 1.00 32.25 H new ATOM 0 HD2 PRO A 582 1.317 -23.022 22.668 1.00 64.54 H new ATOM 0 HD3 PRO A 582 2.699 -24.040 22.313 1.00 64.54 H new ATOM 618 N ASN A 583 -1.412 -24.184 23.819 1.00 35.40 N ATOM 619 CA ASN A 583 -2.758 -23.689 24.056 1.00 61.21 C ATOM 620 C ASN A 583 -3.666 -24.121 22.903 1.00 70.31 C ATOM 621 O ASN A 583 -4.890 -24.069 23.018 1.00 5.34 O ATOM 622 CB ASN A 583 -2.778 -22.161 24.126 1.00 21.02 C ATOM 623 CG ASN A 583 -1.587 -21.633 24.929 1.00 61.43 C ATOM 624 OD1 ASN A 583 -1.305 -22.072 26.032 1.00 70.34 O ATOM 625 ND2 ASN A 583 -0.906 -20.670 24.316 1.00 42.45 N ATOM 0 H ASN A 583 -0.698 -23.459 23.742 1.00 35.40 H new ATOM 0 HA ASN A 583 -3.106 -24.098 25.004 1.00 61.21 H new ATOM 0 HB2 ASN A 583 -2.754 -21.747 23.118 1.00 21.02 H new ATOM 0 HB3 ASN A 583 -3.708 -21.827 24.586 1.00 21.02 H new ATOM 0 HD21 ASN A 583 -0.093 -20.252 24.769 1.00 42.45 H new ATOM 0 HD22 ASN A 583 -1.196 -20.349 23.392 1.00 42.45 H new ATOM 632 N PHE A 584 -3.032 -24.539 21.817 1.00 10.10 N ATOM 633 CA PHE A 584 -3.768 -24.980 20.644 1.00 5.10 C ATOM 634 C PHE A 584 -4.651 -26.185 20.972 1.00 72.11 C ATOM 635 O PHE A 584 -5.762 -26.304 20.456 1.00 4.12 O ATOM 636 CB PHE A 584 -2.732 -25.392 19.596 1.00 51.23 C ATOM 637 CG PHE A 584 -3.142 -25.072 18.157 1.00 52.32 C ATOM 638 CD1 PHE A 584 -3.173 -23.781 17.730 1.00 51.13 C ATOM 639 CD2 PHE A 584 -3.476 -26.078 17.305 1.00 64.02 C ATOM 640 CE1 PHE A 584 -3.554 -23.484 16.394 1.00 4.23 C ATOM 641 CE2 PHE A 584 -3.856 -25.781 15.969 1.00 11.15 C ATOM 642 CZ PHE A 584 -3.887 -24.490 15.542 1.00 30.13 C ATOM 0 H PHE A 584 -2.017 -24.582 21.725 1.00 10.10 H new ATOM 0 HA PHE A 584 -4.413 -24.178 20.286 1.00 5.10 H new ATOM 0 HB2 PHE A 584 -1.790 -24.890 19.815 1.00 51.23 H new ATOM 0 HB3 PHE A 584 -2.550 -26.463 19.681 1.00 51.23 H new ATOM 0 HD1 PHE A 584 -2.908 -22.982 18.406 1.00 51.13 H new ATOM 0 HD2 PHE A 584 -3.452 -27.103 17.644 1.00 64.02 H new ATOM 0 HE1 PHE A 584 -3.579 -22.459 16.055 1.00 4.23 H new ATOM 0 HE2 PHE A 584 -4.120 -26.580 15.292 1.00 11.15 H new ATOM 0 HZ PHE A 584 -4.176 -24.264 14.526 1.00 30.13 H new ATOM 652 N SER A 585 -4.125 -27.049 21.828 1.00 51.21 N ATOM 653 CA SER A 585 -4.852 -28.241 22.231 1.00 52.43 C ATOM 654 C SER A 585 -6.208 -27.851 22.822 1.00 34.23 C ATOM 655 O SER A 585 -7.171 -28.612 22.731 1.00 1.40 O ATOM 656 CB SER A 585 -4.048 -29.061 23.241 1.00 32.02 C ATOM 657 OG SER A 585 -4.891 -29.807 24.115 1.00 55.20 O ATOM 0 H SER A 585 -3.204 -26.947 22.254 1.00 51.21 H new ATOM 0 HA SER A 585 -5.012 -28.860 21.348 1.00 52.43 H new ATOM 0 HB2 SER A 585 -3.384 -29.742 22.709 1.00 32.02 H new ATOM 0 HB3 SER A 585 -3.416 -28.394 23.828 1.00 32.02 H new ATOM 0 HG SER A 585 -4.340 -30.318 24.744 1.00 55.20 H new ATOM 663 N ASN A 586 -6.241 -26.667 23.416 1.00 72.04 N ATOM 664 CA ASN A 586 -7.463 -26.167 24.022 1.00 34.40 C ATOM 665 C ASN A 586 -8.290 -25.435 22.963 1.00 13.15 C ATOM 666 O ASN A 586 -9.482 -25.199 23.155 1.00 12.04 O ATOM 667 CB ASN A 586 -7.155 -25.179 25.149 1.00 72.15 C ATOM 668 CG ASN A 586 -6.942 -25.910 26.476 1.00 50.42 C ATOM 669 OD1 ASN A 586 -7.802 -25.943 27.341 1.00 61.33 O ATOM 670 ND2 ASN A 586 -5.751 -26.491 26.588 1.00 11.22 N ATOM 0 H ASN A 586 -5.440 -26.039 23.490 1.00 72.04 H new ATOM 0 HA ASN A 586 -8.010 -27.017 24.428 1.00 34.40 H new ATOM 0 HB2 ASN A 586 -6.263 -24.604 24.899 1.00 72.15 H new ATOM 0 HB3 ASN A 586 -7.975 -24.468 25.249 1.00 72.15 H new ATOM 0 HD21 ASN A 586 -5.511 -27.003 27.437 1.00 11.22 H new ATOM 0 HD22 ASN A 586 -5.077 -26.424 25.825 1.00 11.22 H new ATOM 677 N TYR A 587 -7.625 -25.095 21.869 1.00 21.43 N ATOM 678 CA TYR A 587 -8.283 -24.394 20.780 1.00 34.51 C ATOM 679 C TYR A 587 -8.886 -25.381 19.778 1.00 62.22 C ATOM 680 O TYR A 587 -9.638 -24.987 18.888 1.00 10.53 O ATOM 681 CB TYR A 587 -7.193 -23.580 20.082 1.00 5.54 C ATOM 682 CG TYR A 587 -6.708 -22.372 20.887 1.00 44.11 C ATOM 683 CD1 TYR A 587 -7.101 -22.215 22.200 1.00 11.45 C ATOM 684 CD2 TYR A 587 -5.877 -21.440 20.299 1.00 2.22 C ATOM 685 CE1 TYR A 587 -6.645 -21.078 22.958 1.00 43.14 C ATOM 686 CE2 TYR A 587 -5.420 -20.303 21.056 1.00 33.13 C ATOM 687 CZ TYR A 587 -5.827 -20.178 22.348 1.00 22.32 C ATOM 688 OH TYR A 587 -5.396 -19.105 23.063 1.00 3.23 O ATOM 0 H TYR A 587 -6.636 -25.292 21.713 1.00 21.43 H new ATOM 0 HA TYR A 587 -9.092 -23.770 21.159 1.00 34.51 H new ATOM 0 HB2 TYR A 587 -6.344 -24.231 19.875 1.00 5.54 H new ATOM 0 HB3 TYR A 587 -7.571 -23.235 19.120 1.00 5.54 H new ATOM 0 HD1 TYR A 587 -7.751 -22.945 22.660 1.00 11.45 H new ATOM 0 HD2 TYR A 587 -5.569 -21.563 19.271 1.00 2.22 H new ATOM 0 HE1 TYR A 587 -6.945 -20.943 23.987 1.00 43.14 H new ATOM 0 HE2 TYR A 587 -4.769 -19.567 20.608 1.00 33.13 H new ATOM 0 HH TYR A 587 -4.818 -18.548 22.501 1.00 3.23 H new ATOM 698 N TYR A 588 -8.532 -26.646 19.956 1.00 55.34 N ATOM 699 CA TYR A 588 -9.029 -27.692 19.078 1.00 42.01 C ATOM 700 C TYR A 588 -9.206 -29.008 19.839 1.00 51.43 C ATOM 701 O TYR A 588 -8.586 -29.215 20.880 1.00 2.24 O ATOM 702 CB TYR A 588 -7.960 -27.880 18.000 1.00 62.23 C ATOM 703 CG TYR A 588 -6.756 -28.707 18.455 1.00 4.20 C ATOM 704 CD1 TYR A 588 -6.899 -30.057 18.702 1.00 70.22 C ATOM 705 CD2 TYR A 588 -5.526 -28.102 18.619 1.00 21.20 C ATOM 706 CE1 TYR A 588 -5.766 -30.835 19.130 1.00 24.24 C ATOM 707 CE2 TYR A 588 -4.393 -28.880 19.048 1.00 65.34 C ATOM 708 CZ TYR A 588 -4.568 -30.208 19.282 1.00 33.30 C ATOM 709 OH TYR A 588 -3.498 -30.943 19.687 1.00 62.12 O ATOM 0 H TYR A 588 -7.908 -26.970 20.695 1.00 55.34 H new ATOM 0 HA TYR A 588 -9.998 -27.416 18.662 1.00 42.01 H new ATOM 0 HB2 TYR A 588 -8.413 -28.363 17.134 1.00 62.23 H new ATOM 0 HB3 TYR A 588 -7.612 -26.900 17.673 1.00 62.23 H new ATOM 0 HD1 TYR A 588 -7.861 -30.530 18.574 1.00 70.22 H new ATOM 0 HD2 TYR A 588 -5.414 -27.045 18.426 1.00 21.20 H new ATOM 0 HE1 TYR A 588 -5.865 -31.892 19.326 1.00 24.24 H new ATOM 0 HE2 TYR A 588 -3.425 -28.419 19.181 1.00 65.34 H new ATOM 0 HH TYR A 588 -2.709 -30.365 19.751 1.00 62.12 H new ATOM 719 N ASN A 589 -10.056 -29.862 19.288 1.00 22.45 N ATOM 720 CA ASN A 589 -10.323 -31.152 19.902 1.00 25.22 C ATOM 721 C ASN A 589 -10.026 -32.263 18.893 1.00 74.31 C ATOM 722 O ASN A 589 -10.505 -32.222 17.761 1.00 70.14 O ATOM 723 CB ASN A 589 -11.790 -31.271 20.319 1.00 42.10 C ATOM 724 CG ASN A 589 -12.373 -29.900 20.668 1.00 31.34 C ATOM 725 OD1 ASN A 589 -13.488 -29.561 20.306 1.00 3.35 O ATOM 726 ND2 ASN A 589 -11.560 -29.134 21.390 1.00 31.53 N ATOM 0 H ASN A 589 -10.568 -29.686 18.424 1.00 22.45 H new ATOM 0 HA ASN A 589 -9.689 -31.243 20.784 1.00 25.22 H new ATOM 0 HB2 ASN A 589 -12.366 -31.720 19.510 1.00 42.10 H new ATOM 0 HB3 ASN A 589 -11.875 -31.936 21.179 1.00 42.10 H new ATOM 0 HD21 ASN A 589 -11.858 -28.201 21.674 1.00 31.53 H new ATOM 0 HD22 ASN A 589 -10.639 -29.480 21.659 1.00 31.53 H new ATOM 733 N VAL A 590 -9.239 -33.230 19.340 1.00 63.41 N ATOM 734 CA VAL A 590 -8.873 -34.351 18.490 1.00 51.20 C ATOM 735 C VAL A 590 -10.056 -35.316 18.389 1.00 22.22 C ATOM 736 O VAL A 590 -10.712 -35.606 19.388 1.00 24.45 O ATOM 737 CB VAL A 590 -7.601 -35.016 19.020 1.00 75.50 C ATOM 738 CG1 VAL A 590 -7.469 -36.446 18.490 1.00 14.24 C ATOM 739 CG2 VAL A 590 -6.363 -34.187 18.674 1.00 13.21 C ATOM 0 H VAL A 590 -8.844 -33.261 20.280 1.00 63.41 H new ATOM 0 HA VAL A 590 -8.647 -34.008 17.480 1.00 51.20 H new ATOM 0 HB VAL A 590 -7.677 -35.066 20.106 1.00 75.50 H new ATOM 0 HG11 VAL A 590 -6.557 -36.896 18.881 1.00 14.24 H new ATOM 0 HG12 VAL A 590 -8.330 -37.033 18.810 1.00 14.24 H new ATOM 0 HG13 VAL A 590 -7.426 -36.428 17.401 1.00 14.24 H new ATOM 0 HG21 VAL A 590 -5.473 -34.682 19.062 1.00 13.21 H new ATOM 0 HG22 VAL A 590 -6.281 -34.090 17.591 1.00 13.21 H new ATOM 0 HG23 VAL A 590 -6.451 -33.197 19.121 1.00 13.21 H new ATOM 749 N SER A 591 -10.292 -35.787 17.174 1.00 53.15 N ATOM 750 CA SER A 591 -11.384 -36.714 16.929 1.00 15.52 C ATOM 751 C SER A 591 -11.239 -37.943 17.828 1.00 2.24 C ATOM 752 O SER A 591 -10.244 -38.083 18.539 1.00 54.54 O ATOM 753 CB SER A 591 -11.432 -37.134 15.459 1.00 45.11 C ATOM 754 OG SER A 591 -12.140 -38.357 15.276 1.00 53.43 O ATOM 0 H SER A 591 -9.746 -35.544 16.348 1.00 53.15 H new ATOM 0 HA SER A 591 -12.320 -36.208 17.164 1.00 15.52 H new ATOM 0 HB2 SER A 591 -11.908 -36.348 14.873 1.00 45.11 H new ATOM 0 HB3 SER A 591 -10.416 -37.243 15.080 1.00 45.11 H new ATOM 0 HG SER A 591 -12.150 -38.590 14.324 1.00 53.43 H new ATOM 966 N TRP A 604 6.695 -38.534 10.343 1.00 21.40 N ATOM 967 CA TRP A 604 5.867 -38.305 11.515 1.00 25.11 C ATOM 968 C TRP A 604 4.813 -39.412 11.573 1.00 32.02 C ATOM 969 O TRP A 604 4.737 -40.250 10.676 1.00 51.33 O ATOM 970 CB TRP A 604 5.260 -36.901 11.491 1.00 72.20 C ATOM 971 CG TRP A 604 4.535 -36.559 10.188 1.00 71.12 C ATOM 972 CD1 TRP A 604 4.240 -37.377 9.168 1.00 22.43 C ATOM 973 CD2 TRP A 604 4.022 -35.266 9.803 1.00 31.21 C ATOM 974 NE1 TRP A 604 3.577 -36.709 8.159 1.00 65.32 N ATOM 975 CE2 TRP A 604 3.440 -35.385 8.557 1.00 5.32 C ATOM 976 CE3 TRP A 604 4.048 -34.037 10.485 1.00 21.25 C ATOM 977 CZ2 TRP A 604 2.842 -34.312 7.885 1.00 31.14 C ATOM 978 CZ3 TRP A 604 3.446 -32.975 9.801 1.00 52.05 C ATOM 979 CH2 TRP A 604 2.856 -33.078 8.546 1.00 43.10 C ATOM 0 HA TRP A 604 6.466 -38.347 12.425 1.00 25.11 H new ATOM 0 HB2 TRP A 604 4.560 -36.805 12.321 1.00 72.20 H new ATOM 0 HB3 TRP A 604 6.052 -36.171 11.656 1.00 72.20 H new ATOM 0 HD1 TRP A 604 4.490 -38.427 9.139 1.00 22.43 H new ATOM 0 HE1 TRP A 604 3.248 -37.113 7.282 1.00 65.32 H new ATOM 0 HE3 TRP A 604 4.497 -33.922 11.460 1.00 21.25 H new ATOM 0 HZ2 TRP A 604 2.394 -34.430 6.909 1.00 31.14 H new ATOM 0 HZ3 TRP A 604 3.439 -32.008 10.281 1.00 52.05 H new ATOM 0 HH2 TRP A 604 2.411 -32.210 8.083 1.00 43.10 H new ATOM 990 N LYS A 605 4.025 -39.380 12.638 1.00 4.32 N ATOM 991 CA LYS A 605 2.978 -40.370 12.825 1.00 5.11 C ATOM 992 C LYS A 605 1.616 -39.673 12.816 1.00 62.53 C ATOM 993 O LYS A 605 1.509 -38.507 13.189 1.00 11.44 O ATOM 994 CB LYS A 605 3.239 -41.194 14.088 1.00 43.51 C ATOM 995 CG LYS A 605 2.658 -40.502 15.323 1.00 24.31 C ATOM 996 CD LYS A 605 1.347 -41.162 15.755 1.00 41.03 C ATOM 997 CE LYS A 605 1.349 -41.454 17.257 1.00 55.24 C ATOM 998 NZ LYS A 605 1.640 -42.883 17.507 1.00 70.15 N ATOM 0 H LYS A 605 4.091 -38.684 13.380 1.00 4.32 H new ATOM 0 HA LYS A 605 2.977 -41.084 12.001 1.00 5.11 H new ATOM 0 HB2 LYS A 605 2.796 -42.184 13.979 1.00 43.51 H new ATOM 0 HB3 LYS A 605 4.312 -41.338 14.218 1.00 43.51 H new ATOM 0 HG2 LYS A 605 3.378 -40.545 16.141 1.00 24.31 H new ATOM 0 HG3 LYS A 605 2.485 -39.448 15.106 1.00 24.31 H new ATOM 0 HD2 LYS A 605 0.509 -40.510 15.509 1.00 41.03 H new ATOM 0 HD3 LYS A 605 1.203 -42.089 15.201 1.00 41.03 H new ATOM 0 HE2 LYS A 605 2.095 -40.833 17.753 1.00 55.24 H new ATOM 0 HE3 LYS A 605 0.381 -41.194 17.685 1.00 55.24 H new ATOM 0 HZ1 LYS A 605 1.638 -43.064 18.531 1.00 70.15 H new ATOM 0 HZ2 LYS A 605 0.914 -43.470 17.050 1.00 70.15 H new ATOM 0 HZ3 LYS A 605 2.574 -43.121 17.116 1.00 70.15 H new ATOM 1011 N PRO A 606 0.583 -40.439 12.373 1.00 54.51 N ATOM 1012 CA PRO A 606 -0.768 -39.907 12.310 1.00 73.42 C ATOM 1013 C PRO A 606 -1.388 -39.817 13.706 1.00 62.11 C ATOM 1014 O PRO A 606 -1.395 -40.796 14.450 1.00 20.32 O ATOM 1015 CB PRO A 606 -1.520 -40.852 11.386 1.00 22.24 C ATOM 1016 CG PRO A 606 -0.697 -42.129 11.338 1.00 70.54 C ATOM 1017 CD PRO A 606 0.672 -41.824 11.922 1.00 24.33 C ATOM 0 HA PRO A 606 -0.801 -38.887 11.928 1.00 73.42 H new ATOM 0 HB2 PRO A 606 -2.524 -41.048 11.761 1.00 22.24 H new ATOM 0 HB3 PRO A 606 -1.630 -40.420 10.391 1.00 22.24 H new ATOM 0 HG2 PRO A 606 -1.187 -42.920 11.906 1.00 70.54 H new ATOM 0 HG3 PRO A 606 -0.604 -42.484 10.312 1.00 70.54 H new ATOM 0 HD2 PRO A 606 0.908 -42.495 12.748 1.00 24.33 H new ATOM 0 HD3 PRO A 606 1.457 -41.948 11.176 1.00 24.33 H new ATOM 1025 N GLY A 607 -1.893 -38.633 14.019 1.00 41.13 N ATOM 1026 CA GLY A 607 -2.513 -38.402 15.312 1.00 14.02 C ATOM 1027 C GLY A 607 -4.035 -38.539 15.223 1.00 63.11 C ATOM 1028 O GLY A 607 -4.547 -39.610 14.899 1.00 11.54 O ATOM 0 H GLY A 607 -1.885 -37.823 13.399 1.00 41.13 H new ATOM 0 HA2 GLY A 607 -2.122 -39.114 16.039 1.00 14.02 H new ATOM 0 HA3 GLY A 607 -2.254 -37.406 15.671 1.00 14.02 H new ATOM 1032 N GLY A 608 -4.714 -37.440 15.515 1.00 11.13 N ATOM 1033 CA GLY A 608 -6.166 -37.424 15.472 1.00 14.01 C ATOM 1034 C GLY A 608 -6.679 -36.190 14.727 1.00 14.23 C ATOM 1035 O GLY A 608 -6.053 -35.132 14.766 1.00 65.24 O ATOM 0 H GLY A 608 -4.285 -36.554 15.782 1.00 11.13 H new ATOM 0 HA2 GLY A 608 -6.529 -38.327 14.981 1.00 14.01 H new ATOM 0 HA3 GLY A 608 -6.564 -37.432 16.487 1.00 14.01 H new ATOM 1039 N VAL A 609 -7.814 -36.366 14.067 1.00 54.10 N ATOM 1040 CA VAL A 609 -8.419 -35.280 13.314 1.00 3.35 C ATOM 1041 C VAL A 609 -8.597 -34.067 14.231 1.00 62.52 C ATOM 1042 O VAL A 609 -9.205 -34.173 15.295 1.00 63.21 O ATOM 1043 CB VAL A 609 -9.730 -35.748 12.681 1.00 34.11 C ATOM 1044 CG1 VAL A 609 -10.300 -34.679 11.746 1.00 31.52 C ATOM 1045 CG2 VAL A 609 -9.540 -37.076 11.945 1.00 12.10 C ATOM 0 H VAL A 609 -8.331 -37.245 14.038 1.00 54.10 H new ATOM 0 HA VAL A 609 -7.769 -34.976 12.494 1.00 3.35 H new ATOM 0 HB VAL A 609 -10.450 -35.910 13.483 1.00 34.11 H new ATOM 0 HG11 VAL A 609 -11.232 -35.037 11.309 1.00 31.52 H new ATOM 0 HG12 VAL A 609 -10.491 -33.766 12.310 1.00 31.52 H new ATOM 0 HG13 VAL A 609 -9.583 -34.471 10.951 1.00 31.52 H new ATOM 0 HG21 VAL A 609 -10.487 -37.386 11.504 1.00 12.10 H new ATOM 0 HG22 VAL A 609 -8.796 -36.952 11.158 1.00 12.10 H new ATOM 0 HG23 VAL A 609 -9.201 -37.836 12.648 1.00 12.10 H new ATOM 1055 N ILE A 610 -8.056 -32.944 13.784 1.00 4.42 N ATOM 1056 CA ILE A 610 -8.147 -31.713 14.551 1.00 51.42 C ATOM 1057 C ILE A 610 -9.397 -30.941 14.121 1.00 23.35 C ATOM 1058 O ILE A 610 -9.772 -30.962 12.950 1.00 24.32 O ATOM 1059 CB ILE A 610 -6.853 -30.906 14.425 1.00 11.04 C ATOM 1060 CG1 ILE A 610 -5.652 -31.827 14.204 1.00 61.45 C ATOM 1061 CG2 ILE A 610 -6.658 -29.991 15.636 1.00 22.12 C ATOM 1062 CD1 ILE A 610 -4.342 -31.109 14.532 1.00 44.32 C ATOM 0 H ILE A 610 -7.553 -32.860 12.901 1.00 4.42 H new ATOM 0 HA ILE A 610 -8.256 -31.933 15.613 1.00 51.42 H new ATOM 0 HB ILE A 610 -6.934 -30.266 13.547 1.00 11.04 H new ATOM 0 HG12 ILE A 610 -5.750 -32.715 14.829 1.00 61.45 H new ATOM 0 HG13 ILE A 610 -5.635 -32.166 13.168 1.00 61.45 H new ATOM 0 HG21 ILE A 610 -5.731 -29.429 15.522 1.00 22.12 H new ATOM 0 HG22 ILE A 610 -7.496 -29.298 15.707 1.00 22.12 H new ATOM 0 HG23 ILE A 610 -6.607 -30.594 16.543 1.00 22.12 H new ATOM 0 HD11 ILE A 610 -3.504 -31.787 14.366 1.00 44.32 H new ATOM 0 HD12 ILE A 610 -4.235 -30.235 13.889 1.00 44.32 H new ATOM 0 HD13 ILE A 610 -4.352 -30.793 15.575 1.00 44.32 H new ATOM 1074 N SER A 611 -10.007 -30.279 15.093 1.00 41.40 N ATOM 1075 CA SER A 611 -11.207 -29.502 14.830 1.00 4.13 C ATOM 1076 C SER A 611 -11.151 -28.179 15.596 1.00 14.35 C ATOM 1077 O SER A 611 -10.855 -28.160 16.790 1.00 34.32 O ATOM 1078 CB SER A 611 -12.464 -30.285 15.213 1.00 52.33 C ATOM 1079 OG SER A 611 -12.196 -31.275 16.202 1.00 55.11 O ATOM 0 H SER A 611 -9.693 -30.264 16.063 1.00 41.40 H new ATOM 0 HA SER A 611 -11.253 -29.294 13.761 1.00 4.13 H new ATOM 0 HB2 SER A 611 -13.221 -29.595 15.586 1.00 52.33 H new ATOM 0 HB3 SER A 611 -12.878 -30.763 14.325 1.00 52.33 H new ATOM 0 HG SER A 611 -11.460 -30.974 16.775 1.00 55.11 H new ATOM 1085 N CYS A 612 -11.441 -27.104 14.879 1.00 52.55 N ATOM 1086 CA CYS A 612 -11.428 -25.779 15.476 1.00 54.02 C ATOM 1087 C CYS A 612 -12.481 -25.742 16.586 1.00 61.24 C ATOM 1088 O CYS A 612 -13.679 -25.731 16.309 1.00 14.12 O ATOM 1089 CB CYS A 612 -11.662 -24.685 14.432 1.00 63.35 C ATOM 1090 SG CYS A 612 -11.420 -22.977 15.042 1.00 33.21 S ATOM 0 H CYS A 612 -11.687 -27.123 13.889 1.00 52.55 H new ATOM 0 HA CYS A 612 -10.445 -25.579 15.902 1.00 54.02 H new ATOM 0 HB2 CYS A 612 -10.989 -24.854 13.592 1.00 63.35 H new ATOM 0 HB3 CYS A 612 -12.679 -24.779 14.050 1.00 63.35 H new ATOM 0 HG CYS A 612 -12.515 -22.296 14.872 1.00 33.21 H new ATOM 1095 N ARG A 613 -11.995 -25.725 17.818 1.00 43.40 N ATOM 1096 CA ARG A 613 -12.879 -25.689 18.971 1.00 64.43 C ATOM 1097 C ARG A 613 -13.637 -24.361 19.018 1.00 70.53 C ATOM 1098 O ARG A 613 -14.784 -24.313 19.460 1.00 4.34 O ATOM 1099 CB ARG A 613 -12.094 -25.867 20.272 1.00 21.01 C ATOM 1100 CG ARG A 613 -13.016 -25.757 21.488 1.00 52.11 C ATOM 1101 CD ARG A 613 -12.253 -26.045 22.783 1.00 54.34 C ATOM 1102 NE ARG A 613 -13.089 -26.861 23.691 1.00 23.24 N ATOM 1103 CZ ARG A 613 -12.744 -27.176 24.958 1.00 62.20 C ATOM 1104 NH1 ARG A 613 -11.575 -26.745 25.477 1.00 4.22 N ATOM 1105 NH2 ARG A 613 -13.567 -27.912 25.681 1.00 22.42 N ATOM 0 H ARG A 613 -11.000 -25.735 18.043 1.00 43.40 H new ATOM 0 HA ARG A 613 -13.587 -26.512 18.872 1.00 64.43 H new ATOM 0 HB2 ARG A 613 -11.600 -26.838 20.273 1.00 21.01 H new ATOM 0 HB3 ARG A 613 -11.311 -25.111 20.335 1.00 21.01 H new ATOM 0 HG2 ARG A 613 -13.449 -24.758 21.531 1.00 52.11 H new ATOM 0 HG3 ARG A 613 -13.844 -26.459 21.386 1.00 52.11 H new ATOM 0 HD2 ARG A 613 -11.325 -26.571 22.559 1.00 54.34 H new ATOM 0 HD3 ARG A 613 -11.980 -25.109 23.270 1.00 54.34 H new ATOM 0 HE ARG A 613 -13.981 -27.207 23.338 1.00 23.24 H new ATOM 0 HH11 ARG A 613 -10.945 -26.177 24.911 1.00 4.22 H new ATOM 0 HH12 ARG A 613 -11.322 -26.987 26.435 1.00 4.22 H new ATOM 0 HH21 ARG A 613 -14.448 -28.234 25.281 1.00 22.42 H new ATOM 0 HH22 ARG A 613 -13.322 -28.159 26.640 1.00 22.42 H new ATOM 1118 N ASN A 614 -12.966 -23.317 18.555 1.00 12.22 N ATOM 1119 CA ASN A 614 -13.563 -21.992 18.539 1.00 44.11 C ATOM 1120 C ASN A 614 -14.869 -22.035 17.744 1.00 60.13 C ATOM 1121 O ASN A 614 -15.864 -21.434 18.145 1.00 34.32 O ATOM 1122 CB ASN A 614 -12.634 -20.978 17.868 1.00 61.13 C ATOM 1123 CG ASN A 614 -11.477 -20.597 18.794 1.00 55.41 C ATOM 1124 OD1 ASN A 614 -11.518 -20.800 19.996 1.00 21.12 O ATOM 1125 ND2 ASN A 614 -10.447 -20.033 18.169 1.00 33.43 N ATOM 0 H ASN A 614 -12.015 -23.361 18.188 1.00 12.22 H new ATOM 0 HA ASN A 614 -13.742 -21.690 19.571 1.00 44.11 H new ATOM 0 HB2 ASN A 614 -12.240 -21.397 16.942 1.00 61.13 H new ATOM 0 HB3 ASN A 614 -13.198 -20.085 17.599 1.00 61.13 H new ATOM 0 HD21 ASN A 614 -9.626 -19.741 18.700 1.00 33.43 H new ATOM 0 HD22 ASN A 614 -10.478 -19.892 17.159 1.00 33.43 H new ATOM 1132 N CYS A 615 -14.823 -22.752 16.630 1.00 13.42 N ATOM 1133 CA CYS A 615 -15.991 -22.881 15.775 1.00 21.11 C ATOM 1134 C CYS A 615 -16.250 -24.370 15.538 1.00 30.22 C ATOM 1135 O CYS A 615 -17.184 -24.939 16.102 1.00 42.22 O ATOM 1136 CB CYS A 615 -15.818 -22.116 14.462 1.00 42.24 C ATOM 1137 SG CYS A 615 -14.675 -20.690 14.549 1.00 4.55 S ATOM 0 H CYS A 615 -13.996 -23.249 16.300 1.00 13.42 H new ATOM 0 HA CYS A 615 -16.856 -22.436 16.267 1.00 21.11 H new ATOM 0 HB2 CYS A 615 -15.457 -22.807 13.700 1.00 42.24 H new ATOM 0 HB3 CYS A 615 -16.795 -21.761 14.133 1.00 42.24 H new ATOM 0 HG CYS A 615 -13.663 -20.991 15.308 1.00 4.55 H new ATOM 1142 N GLY A 616 -15.407 -24.959 14.703 1.00 23.44 N ATOM 1143 CA GLY A 616 -15.533 -26.372 14.385 1.00 42.41 C ATOM 1144 C GLY A 616 -14.802 -26.708 13.084 1.00 44.44 C ATOM 1145 O GLY A 616 -14.406 -27.852 12.867 1.00 32.13 O ATOM 0 H GLY A 616 -14.634 -24.484 14.237 1.00 23.44 H new ATOM 0 HA2 GLY A 616 -15.125 -26.970 15.200 1.00 42.41 H new ATOM 0 HA3 GLY A 616 -16.587 -26.635 14.293 1.00 42.41 H new ATOM 1149 N GLU A 617 -14.644 -25.689 12.251 1.00 61.31 N ATOM 1150 CA GLU A 617 -13.967 -25.862 10.977 1.00 72.33 C ATOM 1151 C GLU A 617 -12.729 -26.744 11.149 1.00 60.42 C ATOM 1152 O GLU A 617 -11.722 -26.306 11.702 1.00 1.41 O ATOM 1153 CB GLU A 617 -13.596 -24.510 10.365 1.00 52.01 C ATOM 1154 CG GLU A 617 -13.130 -24.673 8.917 1.00 43.22 C ATOM 1155 CD GLU A 617 -13.142 -23.330 8.183 1.00 71.44 C ATOM 1156 OE1 GLU A 617 -13.941 -23.139 7.254 1.00 60.33 O ATOM 1157 OE2 GLU A 617 -12.283 -22.468 8.609 1.00 11.32 O ATOM 0 H GLU A 617 -14.973 -24.741 12.434 1.00 61.31 H new ATOM 0 HA GLU A 617 -14.651 -26.360 10.289 1.00 72.33 H new ATOM 0 HB2 GLU A 617 -14.457 -23.842 10.401 1.00 52.01 H new ATOM 0 HB3 GLU A 617 -12.806 -24.044 10.955 1.00 52.01 H new ATOM 0 HG2 GLU A 617 -12.124 -25.092 8.900 1.00 43.22 H new ATOM 0 HG3 GLU A 617 -13.779 -25.380 8.400 1.00 43.22 H new ATOM 1165 N VAL A 618 -12.844 -27.972 10.664 1.00 34.13 N ATOM 1166 CA VAL A 618 -11.747 -28.920 10.758 1.00 42.24 C ATOM 1167 C VAL A 618 -10.506 -28.323 10.090 1.00 21.52 C ATOM 1168 O VAL A 618 -10.607 -27.674 9.050 1.00 33.15 O ATOM 1169 CB VAL A 618 -12.163 -30.263 10.155 1.00 64.22 C ATOM 1170 CG1 VAL A 618 -10.982 -31.235 10.115 1.00 21.32 C ATOM 1171 CG2 VAL A 618 -13.343 -30.865 10.919 1.00 33.23 C ATOM 0 H VAL A 618 -13.680 -28.332 10.205 1.00 34.13 H new ATOM 0 HA VAL A 618 -11.495 -29.112 11.801 1.00 42.24 H new ATOM 0 HB VAL A 618 -12.485 -30.084 9.129 1.00 64.22 H new ATOM 0 HG11 VAL A 618 -11.305 -32.182 9.682 1.00 21.32 H new ATOM 0 HG12 VAL A 618 -10.183 -30.812 9.507 1.00 21.32 H new ATOM 0 HG13 VAL A 618 -10.616 -31.405 11.128 1.00 21.32 H new ATOM 0 HG21 VAL A 618 -13.619 -31.819 10.470 1.00 33.23 H new ATOM 0 HG22 VAL A 618 -13.060 -31.022 11.960 1.00 33.23 H new ATOM 0 HG23 VAL A 618 -14.192 -30.183 10.873 1.00 33.23 H new ATOM 1181 N TRP A 619 -9.363 -28.565 10.715 1.00 31.44 N ATOM 1182 CA TRP A 619 -8.104 -28.060 10.195 1.00 61.40 C ATOM 1183 C TRP A 619 -7.430 -29.189 9.412 1.00 45.42 C ATOM 1184 O TRP A 619 -6.888 -28.961 8.331 1.00 71.31 O ATOM 1185 CB TRP A 619 -7.228 -27.508 11.321 1.00 43.42 C ATOM 1186 CG TRP A 619 -7.809 -26.272 12.012 1.00 24.40 C ATOM 1187 CD1 TRP A 619 -8.649 -25.361 11.503 1.00 3.22 C ATOM 1188 CD2 TRP A 619 -7.557 -25.848 13.368 1.00 1.03 C ATOM 1189 NE1 TRP A 619 -8.956 -24.384 12.428 1.00 4.33 N ATOM 1190 CE2 TRP A 619 -8.271 -24.690 13.599 1.00 44.44 C ATOM 1191 CE3 TRP A 619 -6.753 -26.424 14.367 1.00 22.15 C ATOM 1192 CZ2 TRP A 619 -8.252 -24.008 14.821 1.00 2.12 C ATOM 1193 CZ3 TRP A 619 -6.745 -25.731 15.584 1.00 42.43 C ATOM 1194 CH2 TRP A 619 -7.458 -24.563 15.831 1.00 25.34 C ATOM 0 H TRP A 619 -9.283 -29.104 11.577 1.00 31.44 H new ATOM 0 HA TRP A 619 -8.274 -27.221 9.520 1.00 61.40 H new ATOM 0 HB2 TRP A 619 -7.075 -28.290 12.065 1.00 43.42 H new ATOM 0 HB3 TRP A 619 -6.248 -27.258 10.916 1.00 43.42 H new ATOM 0 HD1 TRP A 619 -9.037 -25.388 10.496 1.00 3.22 H new ATOM 0 HE1 TRP A 619 -9.572 -23.585 12.280 1.00 4.33 H new ATOM 0 HE3 TRP A 619 -6.186 -27.330 14.208 1.00 22.15 H new ATOM 0 HZ2 TRP A 619 -8.819 -23.102 14.976 1.00 2.12 H new ATOM 0 HZ3 TRP A 619 -6.143 -26.132 16.386 1.00 42.43 H new ATOM 0 HH2 TRP A 619 -7.399 -24.086 16.798 1.00 25.34 H new ATOM 1205 N GLY A 620 -7.484 -30.381 9.988 1.00 54.53 N ATOM 1206 CA GLY A 620 -6.886 -31.545 9.357 1.00 3.31 C ATOM 1207 C GLY A 620 -6.717 -32.686 10.362 1.00 65.33 C ATOM 1208 O GLY A 620 -7.696 -33.307 10.772 1.00 0.23 O ATOM 0 H GLY A 620 -7.933 -30.566 10.885 1.00 54.53 H new ATOM 0 HA2 GLY A 620 -7.512 -31.875 8.528 1.00 3.31 H new ATOM 0 HA3 GLY A 620 -5.916 -31.278 8.938 1.00 3.31 H new ATOM 1212 N LEU A 621 -5.467 -32.929 10.729 1.00 43.35 N ATOM 1213 CA LEU A 621 -5.157 -33.985 11.677 1.00 4.32 C ATOM 1214 C LEU A 621 -3.864 -33.636 12.418 1.00 51.43 C ATOM 1215 O LEU A 621 -3.026 -32.900 11.898 1.00 12.14 O ATOM 1216 CB LEU A 621 -5.114 -35.342 10.973 1.00 75.31 C ATOM 1217 CG LEU A 621 -3.757 -35.761 10.404 1.00 53.21 C ATOM 1218 CD1 LEU A 621 -3.230 -34.716 9.418 1.00 34.31 C ATOM 1219 CD2 LEU A 621 -2.757 -36.046 11.526 1.00 62.23 C ATOM 0 H LEU A 621 -4.657 -32.412 10.387 1.00 43.35 H new ATOM 0 HA LEU A 621 -5.944 -34.066 12.427 1.00 4.32 H new ATOM 0 HB2 LEU A 621 -5.441 -36.106 11.679 1.00 75.31 H new ATOM 0 HB3 LEU A 621 -5.839 -35.330 10.159 1.00 75.31 H new ATOM 0 HG LEU A 621 -3.891 -36.689 9.848 1.00 53.21 H new ATOM 0 HD11 LEU A 621 -2.264 -35.038 9.028 1.00 34.31 H new ATOM 0 HD12 LEU A 621 -3.935 -34.605 8.594 1.00 34.31 H new ATOM 0 HD13 LEU A 621 -3.115 -33.760 9.928 1.00 34.31 H new ATOM 0 HD21 LEU A 621 -1.801 -36.342 11.095 1.00 62.23 H new ATOM 0 HD22 LEU A 621 -2.621 -35.148 12.129 1.00 62.23 H new ATOM 0 HD23 LEU A 621 -3.136 -36.851 12.155 1.00 62.23 H new ATOM 1231 N GLN A 622 -3.743 -34.180 13.619 1.00 22.15 N ATOM 1232 CA GLN A 622 -2.566 -33.935 14.437 1.00 74.53 C ATOM 1233 C GLN A 622 -1.463 -34.939 14.093 1.00 14.40 C ATOM 1234 O GLN A 622 -1.725 -36.133 13.963 1.00 63.51 O ATOM 1235 CB GLN A 622 -2.912 -33.990 15.926 1.00 54.10 C ATOM 1236 CG GLN A 622 -2.069 -32.992 16.722 1.00 65.22 C ATOM 1237 CD GLN A 622 -1.848 -33.481 18.155 1.00 70.02 C ATOM 1238 OE1 GLN A 622 -0.781 -33.943 18.523 1.00 24.12 O ATOM 1239 NE2 GLN A 622 -2.914 -33.354 18.940 1.00 50.21 N ATOM 0 H GLN A 622 -4.440 -34.790 14.046 1.00 22.15 H new ATOM 0 HA GLN A 622 -2.199 -32.932 14.220 1.00 74.53 H new ATOM 0 HB2 GLN A 622 -3.970 -33.770 16.065 1.00 54.10 H new ATOM 0 HB3 GLN A 622 -2.743 -34.998 16.305 1.00 54.10 H new ATOM 0 HG2 GLN A 622 -1.107 -32.850 16.230 1.00 65.22 H new ATOM 0 HG3 GLN A 622 -2.566 -32.022 16.738 1.00 65.22 H new ATOM 0 HE21 GLN A 622 -3.777 -32.959 18.568 1.00 50.21 H new ATOM 0 HE22 GLN A 622 -2.868 -33.652 19.914 1.00 50.21 H new ATOM 1248 N MET A 623 -0.254 -34.416 13.956 1.00 41.43 N ATOM 1249 CA MET A 623 0.890 -35.250 13.630 1.00 71.43 C ATOM 1250 C MET A 623 1.905 -35.260 14.774 1.00 25.40 C ATOM 1251 O MET A 623 2.346 -34.205 15.227 1.00 64.14 O ATOM 1252 CB MET A 623 1.559 -34.726 12.358 1.00 51.13 C ATOM 1253 CG MET A 623 0.936 -35.356 11.111 1.00 71.55 C ATOM 1254 SD MET A 623 1.631 -36.977 10.834 1.00 70.03 S ATOM 1255 CE MET A 623 0.430 -37.638 9.691 1.00 70.43 C ATOM 0 H MET A 623 -0.041 -33.424 14.065 1.00 41.43 H new ATOM 0 HA MET A 623 0.539 -36.270 13.472 1.00 71.43 H new ATOM 0 HB2 MET A 623 1.459 -33.642 12.311 1.00 51.13 H new ATOM 0 HB3 MET A 623 2.626 -34.947 12.387 1.00 51.13 H new ATOM 0 HG2 MET A 623 -0.145 -35.430 11.232 1.00 71.55 H new ATOM 0 HG3 MET A 623 1.116 -34.721 10.244 1.00 71.55 H new ATOM 0 HE1 MET A 623 0.723 -38.646 9.398 1.00 70.43 H new ATOM 0 HE2 MET A 623 -0.549 -37.669 10.169 1.00 70.43 H new ATOM 0 HE3 MET A 623 0.382 -37.003 8.806 1.00 70.43 H new ATOM 1265 N ILE A 624 2.247 -36.464 15.209 1.00 20.31 N ATOM 1266 CA ILE A 624 3.202 -36.626 16.292 1.00 44.41 C ATOM 1267 C ILE A 624 4.560 -37.028 15.713 1.00 61.33 C ATOM 1268 O ILE A 624 4.712 -38.128 15.184 1.00 74.43 O ATOM 1269 CB ILE A 624 2.666 -37.604 17.339 1.00 53.03 C ATOM 1270 CG1 ILE A 624 1.591 -36.944 18.206 1.00 65.42 C ATOM 1271 CG2 ILE A 624 3.804 -38.186 18.180 1.00 52.23 C ATOM 1272 CD1 ILE A 624 0.390 -36.518 17.360 1.00 12.02 C ATOM 0 H ILE A 624 1.879 -37.337 14.831 1.00 20.31 H new ATOM 0 HA ILE A 624 3.345 -35.682 16.817 1.00 44.41 H new ATOM 0 HB ILE A 624 2.193 -38.437 16.818 1.00 53.03 H new ATOM 0 HG12 ILE A 624 1.267 -37.639 18.981 1.00 65.42 H new ATOM 0 HG13 ILE A 624 2.010 -36.075 18.713 1.00 65.42 H new ATOM 0 HG21 ILE A 624 3.395 -38.878 18.916 1.00 52.23 H new ATOM 0 HG22 ILE A 624 4.501 -38.716 17.531 1.00 52.23 H new ATOM 0 HG23 ILE A 624 4.328 -37.379 18.692 1.00 52.23 H new ATOM 0 HD11 ILE A 624 -0.359 -36.052 18.000 1.00 12.02 H new ATOM 0 HD12 ILE A 624 0.714 -35.805 16.602 1.00 12.02 H new ATOM 0 HD13 ILE A 624 -0.042 -37.393 16.874 1.00 12.02 H new ATOM 1284 N TYR A 625 5.513 -36.115 15.832 1.00 32.42 N ATOM 1285 CA TYR A 625 6.853 -36.362 15.327 1.00 12.31 C ATOM 1286 C TYR A 625 7.861 -36.465 16.474 1.00 74.54 C ATOM 1287 O TYR A 625 8.185 -35.466 17.112 1.00 14.55 O ATOM 1288 CB TYR A 625 7.206 -35.151 14.461 1.00 2.34 C ATOM 1289 CG TYR A 625 8.709 -34.893 14.336 1.00 0.42 C ATOM 1290 CD1 TYR A 625 9.592 -35.953 14.313 1.00 72.32 C ATOM 1291 CD2 TYR A 625 9.182 -33.599 14.247 1.00 60.22 C ATOM 1292 CE1 TYR A 625 11.006 -35.710 14.195 1.00 63.51 C ATOM 1293 CE2 TYR A 625 10.596 -33.356 14.129 1.00 65.41 C ATOM 1294 CZ TYR A 625 11.439 -34.424 14.109 1.00 52.02 C ATOM 1295 OH TYR A 625 12.775 -34.195 13.997 1.00 13.45 O ATOM 0 H TYR A 625 5.384 -35.203 16.271 1.00 32.42 H new ATOM 0 HA TYR A 625 6.887 -37.299 14.771 1.00 12.31 H new ATOM 0 HB2 TYR A 625 6.788 -35.296 13.465 1.00 2.34 H new ATOM 0 HB3 TYR A 625 6.729 -34.265 14.881 1.00 2.34 H new ATOM 0 HD1 TYR A 625 9.222 -36.965 14.384 1.00 72.32 H new ATOM 0 HD2 TYR A 625 8.491 -32.769 14.266 1.00 60.22 H new ATOM 0 HE1 TYR A 625 11.707 -36.531 14.175 1.00 63.51 H new ATOM 0 HE2 TYR A 625 10.979 -32.349 14.058 1.00 65.41 H new ATOM 0 HH TYR A 625 12.938 -33.230 13.944 1.00 13.45 H new ATOM 1305 N LYS A 626 8.328 -37.684 16.700 1.00 61.45 N ATOM 1306 CA LYS A 626 9.292 -37.932 17.758 1.00 44.11 C ATOM 1307 C LYS A 626 8.639 -37.654 19.113 1.00 54.51 C ATOM 1308 O LYS A 626 9.329 -37.411 20.101 1.00 4.03 O ATOM 1309 CB LYS A 626 10.572 -37.128 17.516 1.00 72.43 C ATOM 1310 CG LYS A 626 11.609 -37.963 16.762 1.00 71.14 C ATOM 1311 CD LYS A 626 11.912 -39.265 17.506 1.00 12.24 C ATOM 1312 CE LYS A 626 11.836 -39.060 19.021 1.00 61.32 C ATOM 1313 NZ LYS A 626 12.446 -40.207 19.730 1.00 62.32 N ATOM 0 H LYS A 626 8.056 -38.511 16.168 1.00 61.45 H new ATOM 0 HA LYS A 626 9.595 -38.979 17.759 1.00 44.11 H new ATOM 0 HB2 LYS A 626 10.339 -36.229 16.945 1.00 72.43 H new ATOM 0 HB3 LYS A 626 10.986 -36.801 18.470 1.00 72.43 H new ATOM 0 HG2 LYS A 626 11.241 -38.189 15.761 1.00 71.14 H new ATOM 0 HG3 LYS A 626 12.527 -37.387 16.641 1.00 71.14 H new ATOM 0 HD2 LYS A 626 11.202 -40.035 17.203 1.00 12.24 H new ATOM 0 HD3 LYS A 626 12.905 -39.622 17.233 1.00 12.24 H new ATOM 0 HE2 LYS A 626 12.351 -38.139 19.296 1.00 61.32 H new ATOM 0 HE3 LYS A 626 10.796 -38.947 19.327 1.00 61.32 H new ATOM 0 HZ1 LYS A 626 12.386 -40.052 20.757 1.00 62.32 H new ATOM 0 HZ2 LYS A 626 11.937 -41.079 19.481 1.00 62.32 H new ATOM 0 HZ3 LYS A 626 13.444 -40.297 19.451 1.00 62.32 H new ATOM 1326 N SER A 627 7.314 -37.698 19.115 1.00 5.33 N ATOM 1327 CA SER A 627 6.560 -37.453 20.333 1.00 73.34 C ATOM 1328 C SER A 627 6.314 -35.953 20.504 1.00 44.22 C ATOM 1329 O SER A 627 6.409 -35.427 21.612 1.00 64.12 O ATOM 1330 CB SER A 627 7.289 -38.015 21.555 1.00 51.22 C ATOM 1331 OG SER A 627 8.161 -37.054 22.144 1.00 31.02 O ATOM 0 H SER A 627 6.744 -37.899 18.293 1.00 5.33 H new ATOM 0 HA SER A 627 5.601 -37.964 20.250 1.00 73.34 H new ATOM 0 HB2 SER A 627 6.558 -38.343 22.294 1.00 51.22 H new ATOM 0 HB3 SER A 627 7.863 -38.894 21.262 1.00 51.22 H new ATOM 0 HG SER A 627 8.734 -36.664 21.451 1.00 31.02 H new ATOM 1337 N VAL A 628 6.004 -35.306 19.390 1.00 14.33 N ATOM 1338 CA VAL A 628 5.744 -33.876 19.403 1.00 30.11 C ATOM 1339 C VAL A 628 4.365 -33.607 18.797 1.00 31.24 C ATOM 1340 O VAL A 628 4.168 -33.775 17.595 1.00 73.11 O ATOM 1341 CB VAL A 628 6.870 -33.133 18.680 1.00 35.33 C ATOM 1342 CG1 VAL A 628 6.503 -31.665 18.457 1.00 14.25 C ATOM 1343 CG2 VAL A 628 8.189 -33.259 19.445 1.00 13.01 C ATOM 0 H VAL A 628 5.927 -35.745 18.473 1.00 14.33 H new ATOM 0 HA VAL A 628 5.728 -33.500 20.426 1.00 30.11 H new ATOM 0 HB VAL A 628 7.004 -33.596 17.703 1.00 35.33 H new ATOM 0 HG11 VAL A 628 7.320 -31.160 17.942 1.00 14.25 H new ATOM 0 HG12 VAL A 628 5.599 -31.604 17.851 1.00 14.25 H new ATOM 0 HG13 VAL A 628 6.328 -31.183 19.419 1.00 14.25 H new ATOM 0 HG21 VAL A 628 8.973 -32.722 18.910 1.00 13.01 H new ATOM 0 HG22 VAL A 628 8.073 -32.834 20.442 1.00 13.01 H new ATOM 0 HG23 VAL A 628 8.462 -34.311 19.529 1.00 13.01 H new ATOM 1353 N LYS A 629 3.446 -33.194 19.658 1.00 22.21 N ATOM 1354 CA LYS A 629 2.091 -32.900 19.223 1.00 63.41 C ATOM 1355 C LYS A 629 2.106 -31.661 18.326 1.00 71.12 C ATOM 1356 O LYS A 629 2.142 -30.534 18.818 1.00 34.41 O ATOM 1357 CB LYS A 629 1.157 -32.776 20.428 1.00 74.41 C ATOM 1358 CG LYS A 629 1.277 -33.997 21.343 1.00 50.20 C ATOM 1359 CD LYS A 629 0.428 -35.158 20.823 1.00 72.25 C ATOM 1360 CE LYS A 629 -1.043 -34.975 21.202 1.00 20.22 C ATOM 1361 NZ LYS A 629 -1.905 -35.843 20.369 1.00 32.23 N ATOM 0 H LYS A 629 3.613 -33.056 20.655 1.00 22.21 H new ATOM 0 HA LYS A 629 1.695 -33.722 18.626 1.00 63.41 H new ATOM 0 HB2 LYS A 629 1.398 -31.872 20.988 1.00 74.41 H new ATOM 0 HB3 LYS A 629 0.127 -32.674 20.085 1.00 74.41 H new ATOM 0 HG2 LYS A 629 2.320 -34.306 21.408 1.00 50.20 H new ATOM 0 HG3 LYS A 629 0.959 -33.733 22.352 1.00 50.20 H new ATOM 0 HD2 LYS A 629 0.522 -35.225 19.739 1.00 72.25 H new ATOM 0 HD3 LYS A 629 0.799 -36.097 21.234 1.00 72.25 H new ATOM 0 HE2 LYS A 629 -1.186 -35.215 22.256 1.00 20.22 H new ATOM 0 HE3 LYS A 629 -1.332 -33.932 21.070 1.00 20.22 H new ATOM 0 HZ1 LYS A 629 -2.900 -35.565 20.491 1.00 32.23 H new ATOM 0 HZ2 LYS A 629 -1.637 -35.741 19.369 1.00 32.23 H new ATOM 0 HZ3 LYS A 629 -1.785 -36.834 20.660 1.00 32.23 H new ATOM 1374 N LEU A 630 2.077 -31.911 17.025 1.00 24.11 N ATOM 1375 CA LEU A 630 2.087 -30.830 16.055 1.00 51.43 C ATOM 1376 C LEU A 630 0.816 -30.901 15.205 1.00 22.14 C ATOM 1377 O LEU A 630 0.644 -31.829 14.417 1.00 34.31 O ATOM 1378 CB LEU A 630 3.378 -30.858 15.234 1.00 53.43 C ATOM 1379 CG LEU A 630 4.681 -30.878 16.034 1.00 24.13 C ATOM 1380 CD1 LEU A 630 5.896 -30.843 15.105 1.00 61.11 C ATOM 1381 CD2 LEU A 630 4.712 -29.744 17.061 1.00 63.20 C ATOM 0 H LEU A 630 2.047 -32.847 16.620 1.00 24.11 H new ATOM 0 HA LEU A 630 2.079 -29.865 16.561 1.00 51.43 H new ATOM 0 HB2 LEU A 630 3.357 -31.737 14.590 1.00 53.43 H new ATOM 0 HB3 LEU A 630 3.389 -29.985 14.581 1.00 53.43 H new ATOM 0 HG LEU A 630 4.726 -31.816 16.588 1.00 24.13 H new ATOM 0 HD11 LEU A 630 6.809 -30.858 15.700 1.00 61.11 H new ATOM 0 HD12 LEU A 630 5.877 -31.712 14.448 1.00 61.11 H new ATOM 0 HD13 LEU A 630 5.869 -29.934 14.505 1.00 61.11 H new ATOM 0 HD21 LEU A 630 5.649 -29.781 17.616 1.00 63.20 H new ATOM 0 HD22 LEU A 630 4.632 -28.786 16.548 1.00 63.20 H new ATOM 0 HD23 LEU A 630 3.876 -29.856 17.752 1.00 63.20 H new ATOM 1393 N PRO A 631 -0.063 -29.882 15.400 1.00 33.22 N ATOM 1394 CA PRO A 631 -1.313 -29.821 14.661 1.00 0.24 C ATOM 1395 C PRO A 631 -1.074 -29.384 13.215 1.00 42.13 C ATOM 1396 O PRO A 631 -0.454 -28.351 12.969 1.00 4.50 O ATOM 1397 CB PRO A 631 -2.183 -28.847 15.440 1.00 63.31 C ATOM 1398 CG PRO A 631 -1.232 -28.049 16.317 1.00 13.12 C ATOM 1399 CD PRO A 631 0.108 -28.766 16.325 1.00 11.24 C ATOM 0 HA PRO A 631 -1.801 -30.792 14.578 1.00 0.24 H new ATOM 0 HB2 PRO A 631 -2.736 -28.192 14.766 1.00 63.31 H new ATOM 0 HB3 PRO A 631 -2.919 -29.378 16.044 1.00 63.31 H new ATOM 0 HG2 PRO A 631 -1.120 -27.035 15.934 1.00 13.12 H new ATOM 0 HG3 PRO A 631 -1.626 -27.965 17.330 1.00 13.12 H new ATOM 0 HD2 PRO A 631 0.913 -28.105 16.003 1.00 11.24 H new ATOM 0 HD3 PRO A 631 0.364 -29.116 17.325 1.00 11.24 H new ATOM 1407 N VAL A 632 -1.579 -30.193 12.295 1.00 43.22 N ATOM 1408 CA VAL A 632 -1.428 -29.903 10.879 1.00 0.31 C ATOM 1409 C VAL A 632 -2.703 -29.235 10.361 1.00 14.11 C ATOM 1410 O VAL A 632 -3.705 -29.906 10.118 1.00 31.12 O ATOM 1411 CB VAL A 632 -1.071 -31.181 10.118 1.00 71.10 C ATOM 1412 CG1 VAL A 632 -0.798 -30.883 8.643 1.00 41.45 C ATOM 1413 CG2 VAL A 632 0.121 -31.889 10.764 1.00 23.13 C ATOM 0 H VAL A 632 -2.093 -31.049 12.503 1.00 43.22 H new ATOM 0 HA VAL A 632 -0.607 -29.205 10.718 1.00 0.31 H new ATOM 0 HB VAL A 632 -1.928 -31.852 10.171 1.00 71.10 H new ATOM 0 HG11 VAL A 632 -0.547 -31.809 8.125 1.00 41.45 H new ATOM 0 HG12 VAL A 632 -1.687 -30.444 8.190 1.00 41.45 H new ATOM 0 HG13 VAL A 632 0.034 -30.184 8.561 1.00 41.45 H new ATOM 0 HG21 VAL A 632 0.354 -32.794 10.203 1.00 23.13 H new ATOM 0 HG22 VAL A 632 0.986 -31.225 10.757 1.00 23.13 H new ATOM 0 HG23 VAL A 632 -0.126 -32.152 11.792 1.00 23.13 H new ATOM 1423 N LEU A 633 -2.625 -27.921 10.207 1.00 22.24 N ATOM 1424 CA LEU A 633 -3.760 -27.155 9.723 1.00 75.22 C ATOM 1425 C LEU A 633 -3.533 -26.788 8.255 1.00 75.11 C ATOM 1426 O LEU A 633 -2.447 -27.000 7.719 1.00 5.34 O ATOM 1427 CB LEU A 633 -4.017 -25.947 10.626 1.00 22.32 C ATOM 1428 CG LEU A 633 -3.705 -26.142 12.111 1.00 24.33 C ATOM 1429 CD1 LEU A 633 -3.936 -27.594 12.534 1.00 21.32 C ATOM 1430 CD2 LEU A 633 -2.288 -25.668 12.441 1.00 63.24 C ATOM 0 H LEU A 633 -1.792 -27.368 10.409 1.00 22.24 H new ATOM 0 HA LEU A 633 -4.669 -27.754 9.766 1.00 75.22 H new ATOM 0 HB2 LEU A 633 -3.424 -25.110 10.257 1.00 22.32 H new ATOM 0 HB3 LEU A 633 -5.065 -25.662 10.529 1.00 22.32 H new ATOM 0 HG LEU A 633 -4.394 -25.525 12.688 1.00 24.33 H new ATOM 0 HD11 LEU A 633 -3.707 -27.705 13.594 1.00 21.32 H new ATOM 0 HD12 LEU A 633 -4.977 -27.863 12.358 1.00 21.32 H new ATOM 0 HD13 LEU A 633 -3.288 -28.250 11.952 1.00 21.32 H new ATOM 0 HD21 LEU A 633 -2.092 -25.818 13.503 1.00 63.24 H new ATOM 0 HD22 LEU A 633 -1.568 -26.239 11.855 1.00 63.24 H new ATOM 0 HD23 LEU A 633 -2.193 -24.609 12.201 1.00 63.24 H new ATOM 1442 N LYS A 634 -4.577 -26.244 7.646 1.00 60.51 N ATOM 1443 CA LYS A 634 -4.505 -25.846 6.250 1.00 11.04 C ATOM 1444 C LYS A 634 -4.207 -24.348 6.167 1.00 11.41 C ATOM 1445 O LYS A 634 -4.015 -23.691 7.190 1.00 74.44 O ATOM 1446 CB LYS A 634 -5.777 -26.262 5.508 1.00 25.41 C ATOM 1447 CG LYS A 634 -6.144 -27.714 5.822 1.00 70.12 C ATOM 1448 CD LYS A 634 -7.659 -27.879 5.960 1.00 2.43 C ATOM 1449 CE LYS A 634 -8.400 -27.004 4.948 1.00 51.44 C ATOM 1450 NZ LYS A 634 -9.678 -27.638 4.552 1.00 44.41 N ATOM 0 H LYS A 634 -5.477 -26.070 8.094 1.00 60.51 H new ATOM 0 HA LYS A 634 -3.687 -26.363 5.748 1.00 11.04 H new ATOM 0 HB2 LYS A 634 -6.599 -25.606 5.792 1.00 25.41 H new ATOM 0 HB3 LYS A 634 -5.631 -26.144 4.434 1.00 25.41 H new ATOM 0 HG2 LYS A 634 -5.774 -28.366 5.030 1.00 70.12 H new ATOM 0 HG3 LYS A 634 -5.655 -28.025 6.745 1.00 70.12 H new ATOM 0 HD2 LYS A 634 -7.930 -28.924 5.810 1.00 2.43 H new ATOM 0 HD3 LYS A 634 -7.967 -27.612 6.971 1.00 2.43 H new ATOM 0 HE2 LYS A 634 -8.593 -26.022 5.380 1.00 51.44 H new ATOM 0 HE3 LYS A 634 -7.776 -26.848 4.068 1.00 51.44 H new ATOM 0 HZ1 LYS A 634 -10.319 -26.915 4.167 1.00 44.41 H new ATOM 0 HZ2 LYS A 634 -9.497 -28.361 3.827 1.00 44.41 H new ATOM 0 HZ3 LYS A 634 -10.117 -28.083 5.383 1.00 44.41 H new ATOM 1463 N VAL A 635 -4.178 -23.850 4.940 1.00 65.05 N ATOM 1464 CA VAL A 635 -3.906 -22.441 4.709 1.00 32.24 C ATOM 1465 C VAL A 635 -5.213 -21.725 4.362 1.00 44.25 C ATOM 1466 O VAL A 635 -5.256 -20.497 4.308 1.00 10.30 O ATOM 1467 CB VAL A 635 -2.833 -22.284 3.630 1.00 22.53 C ATOM 1468 CG1 VAL A 635 -3.256 -22.974 2.332 1.00 70.12 C ATOM 1469 CG2 VAL A 635 -2.511 -20.809 3.388 1.00 43.43 C ATOM 0 H VAL A 635 -4.338 -24.397 4.094 1.00 65.05 H new ATOM 0 HA VAL A 635 -3.509 -21.976 5.611 1.00 32.24 H new ATOM 0 HB VAL A 635 -1.925 -22.770 3.987 1.00 22.53 H new ATOM 0 HG11 VAL A 635 -2.476 -22.847 1.582 1.00 70.12 H new ATOM 0 HG12 VAL A 635 -3.411 -24.037 2.519 1.00 70.12 H new ATOM 0 HG13 VAL A 635 -4.183 -22.530 1.970 1.00 70.12 H new ATOM 0 HG21 VAL A 635 -1.745 -20.726 2.617 1.00 43.43 H new ATOM 0 HG22 VAL A 635 -3.412 -20.288 3.063 1.00 43.43 H new ATOM 0 HG23 VAL A 635 -2.146 -20.360 4.312 1.00 43.43 H new ATOM 1479 N ARG A 636 -6.245 -22.523 4.134 1.00 14.11 N ATOM 1480 CA ARG A 636 -7.550 -21.980 3.793 1.00 65.40 C ATOM 1481 C ARG A 636 -8.409 -21.834 5.050 1.00 31.32 C ATOM 1482 O ARG A 636 -9.338 -21.029 5.081 1.00 75.11 O ATOM 1483 CB ARG A 636 -8.275 -22.879 2.789 1.00 25.34 C ATOM 1484 CG ARG A 636 -8.654 -24.218 3.426 1.00 5.14 C ATOM 1485 CD ARG A 636 -9.285 -25.156 2.396 1.00 72.10 C ATOM 1486 NE ARG A 636 -10.760 -25.056 2.458 1.00 55.25 N ATOM 1487 CZ ARG A 636 -11.581 -25.322 1.419 1.00 32.54 C ATOM 1488 NH1 ARG A 636 -11.076 -25.709 0.228 1.00 13.34 N ATOM 1489 NH2 ARG A 636 -12.885 -25.200 1.586 1.00 1.12 N ATOM 0 H ARG A 636 -6.205 -23.541 4.178 1.00 14.11 H new ATOM 0 HA ARG A 636 -7.394 -21.001 3.340 1.00 65.40 H new ATOM 0 HB2 ARG A 636 -9.173 -22.377 2.428 1.00 25.34 H new ATOM 0 HB3 ARG A 636 -7.636 -23.052 1.923 1.00 25.34 H new ATOM 0 HG2 ARG A 636 -7.767 -24.685 3.853 1.00 5.14 H new ATOM 0 HG3 ARG A 636 -9.352 -24.050 4.246 1.00 5.14 H new ATOM 0 HD2 ARG A 636 -8.936 -24.899 1.396 1.00 72.10 H new ATOM 0 HD3 ARG A 636 -8.973 -26.183 2.588 1.00 72.10 H new ATOM 0 HE ARG A 636 -11.183 -24.768 3.340 1.00 55.25 H new ATOM 0 HH11 ARG A 636 -10.067 -25.802 0.108 1.00 13.34 H new ATOM 0 HH12 ARG A 636 -11.703 -25.908 -0.551 1.00 13.34 H new ATOM 0 HH21 ARG A 636 -13.258 -24.909 2.489 1.00 1.12 H new ATOM 0 HH22 ARG A 636 -13.519 -25.397 0.812 1.00 1.12 H new ATOM 1502 N SER A 637 -8.068 -22.625 6.057 1.00 71.52 N ATOM 1503 CA SER A 637 -8.797 -22.594 7.313 1.00 30.33 C ATOM 1504 C SER A 637 -8.152 -21.587 8.267 1.00 14.34 C ATOM 1505 O SER A 637 -8.716 -21.269 9.314 1.00 42.35 O ATOM 1506 CB SER A 637 -8.843 -23.981 7.958 1.00 71.11 C ATOM 1507 OG SER A 637 -7.687 -24.240 8.750 1.00 62.55 O ATOM 0 H SER A 637 -7.296 -23.291 6.028 1.00 71.52 H new ATOM 0 HA SER A 637 -9.822 -22.285 7.106 1.00 30.33 H new ATOM 0 HB2 SER A 637 -9.734 -24.062 8.580 1.00 71.11 H new ATOM 0 HB3 SER A 637 -8.927 -24.740 7.180 1.00 71.11 H new ATOM 0 HG SER A 637 -7.960 -24.454 9.667 1.00 62.55 H new ATOM 1513 N MET A 638 -6.980 -21.112 7.872 1.00 31.42 N ATOM 1514 CA MET A 638 -6.253 -20.147 8.679 1.00 22.40 C ATOM 1515 C MET A 638 -6.147 -18.801 7.961 1.00 54.43 C ATOM 1516 O MET A 638 -5.671 -18.732 6.829 1.00 63.42 O ATOM 1517 CB MET A 638 -4.849 -20.681 8.972 1.00 72.22 C ATOM 1518 CG MET A 638 -4.910 -21.925 9.860 1.00 31.43 C ATOM 1519 SD MET A 638 -5.364 -21.466 11.524 1.00 2.33 S ATOM 1520 CE MET A 638 -6.945 -22.285 11.652 1.00 3.30 C ATOM 0 H MET A 638 -6.516 -21.378 7.003 1.00 31.42 H new ATOM 0 HA MET A 638 -6.797 -19.998 9.612 1.00 22.40 H new ATOM 0 HB2 MET A 638 -4.345 -20.922 8.036 1.00 72.22 H new ATOM 0 HB3 MET A 638 -4.257 -19.908 9.463 1.00 72.22 H new ATOM 0 HG2 MET A 638 -5.635 -22.633 9.459 1.00 31.43 H new ATOM 0 HG3 MET A 638 -3.943 -22.427 9.864 1.00 31.43 H new ATOM 0 HE1 MET A 638 -7.078 -22.663 12.666 1.00 3.30 H new ATOM 0 HE2 MET A 638 -7.741 -21.577 11.421 1.00 3.30 H new ATOM 0 HE3 MET A 638 -6.982 -23.116 10.948 1.00 3.30 H new ATOM 1530 N LEU A 639 -6.600 -17.762 8.648 1.00 32.41 N ATOM 1531 CA LEU A 639 -6.563 -16.421 8.090 1.00 62.42 C ATOM 1532 C LEU A 639 -5.254 -15.741 8.496 1.00 62.05 C ATOM 1533 O LEU A 639 -4.938 -15.651 9.681 1.00 72.20 O ATOM 1534 CB LEU A 639 -7.814 -15.638 8.493 1.00 23.11 C ATOM 1535 CG LEU A 639 -8.079 -14.349 7.712 1.00 22.32 C ATOM 1536 CD1 LEU A 639 -7.507 -14.439 6.296 1.00 0.20 C ATOM 1537 CD2 LEU A 639 -9.570 -14.008 7.708 1.00 52.14 C ATOM 0 H LEU A 639 -6.995 -17.822 9.587 1.00 32.41 H new ATOM 0 HA LEU A 639 -6.578 -16.461 7.001 1.00 62.42 H new ATOM 0 HB2 LEU A 639 -8.679 -16.291 8.381 1.00 23.11 H new ATOM 0 HB3 LEU A 639 -7.737 -15.389 9.551 1.00 23.11 H new ATOM 0 HG LEU A 639 -7.563 -13.531 8.216 1.00 22.32 H new ATOM 0 HD11 LEU A 639 -7.709 -13.510 5.762 1.00 0.20 H new ATOM 0 HD12 LEU A 639 -6.430 -14.601 6.348 1.00 0.20 H new ATOM 0 HD13 LEU A 639 -7.974 -15.270 5.767 1.00 0.20 H new ATOM 0 HD21 LEU A 639 -9.731 -13.088 7.146 1.00 52.14 H new ATOM 0 HD22 LEU A 639 -10.128 -14.820 7.242 1.00 52.14 H new ATOM 0 HD23 LEU A 639 -9.915 -13.873 8.733 1.00 52.14 H new ATOM 1549 N LEU A 640 -4.527 -15.279 7.488 1.00 32.34 N ATOM 1550 CA LEU A 640 -3.260 -14.610 7.725 1.00 4.34 C ATOM 1551 C LEU A 640 -3.508 -13.114 7.930 1.00 51.14 C ATOM 1552 O LEU A 640 -3.699 -12.375 6.965 1.00 71.43 O ATOM 1553 CB LEU A 640 -2.271 -14.921 6.600 1.00 3.11 C ATOM 1554 CG LEU A 640 -1.977 -16.403 6.356 1.00 53.53 C ATOM 1555 CD1 LEU A 640 -0.866 -16.578 5.319 1.00 3.52 C ATOM 1556 CD2 LEU A 640 -1.656 -17.122 7.667 1.00 13.45 C ATOM 0 H LEU A 640 -4.792 -15.355 6.506 1.00 32.34 H new ATOM 0 HA LEU A 640 -2.797 -14.985 8.638 1.00 4.34 H new ATOM 0 HB2 LEU A 640 -2.656 -14.490 5.676 1.00 3.11 H new ATOM 0 HB3 LEU A 640 -1.331 -14.416 6.820 1.00 3.11 H new ATOM 0 HG LEU A 640 -2.875 -16.866 5.947 1.00 53.53 H new ATOM 0 HD11 LEU A 640 -0.677 -17.640 5.164 1.00 3.52 H new ATOM 0 HD12 LEU A 640 -1.172 -16.123 4.377 1.00 3.52 H new ATOM 0 HD13 LEU A 640 0.044 -16.096 5.676 1.00 3.52 H new ATOM 0 HD21 LEU A 640 -1.451 -18.173 7.465 1.00 13.45 H new ATOM 0 HD22 LEU A 640 -0.781 -16.664 8.128 1.00 13.45 H new ATOM 0 HD23 LEU A 640 -2.507 -17.042 8.344 1.00 13.45 H new ATOM 1568 N GLU A 641 -3.498 -12.712 9.192 1.00 44.21 N ATOM 1569 CA GLU A 641 -3.720 -11.317 9.535 1.00 25.40 C ATOM 1570 C GLU A 641 -2.490 -10.480 9.177 1.00 62.42 C ATOM 1571 O GLU A 641 -1.370 -10.822 9.556 1.00 54.35 O ATOM 1572 CB GLU A 641 -4.073 -11.167 11.016 1.00 42.40 C ATOM 1573 CG GLU A 641 -5.576 -10.952 11.202 1.00 73.40 C ATOM 1574 CD GLU A 641 -5.906 -10.611 12.657 1.00 44.34 C ATOM 1575 OE1 GLU A 641 -5.000 -10.561 13.502 1.00 22.00 O ATOM 1576 OE2 GLU A 641 -7.154 -10.391 12.896 1.00 70.21 O ATOM 0 H GLU A 641 -3.340 -13.327 9.990 1.00 44.21 H new ATOM 0 HA GLU A 641 -4.566 -10.950 8.954 1.00 25.40 H new ATOM 0 HB2 GLU A 641 -3.759 -12.058 11.560 1.00 42.40 H new ATOM 0 HB3 GLU A 641 -3.526 -10.325 11.440 1.00 42.40 H new ATOM 0 HG2 GLU A 641 -5.915 -10.147 10.550 1.00 73.40 H new ATOM 0 HG3 GLU A 641 -6.115 -11.851 10.904 1.00 73.40 H new ATOM 1584 N THR A 642 -2.740 -9.400 8.451 1.00 64.50 N ATOM 1585 CA THR A 642 -1.667 -8.512 8.037 1.00 23.14 C ATOM 1586 C THR A 642 -2.127 -7.054 8.101 1.00 21.40 C ATOM 1587 O THR A 642 -3.325 -6.778 8.115 1.00 73.12 O ATOM 1588 CB THR A 642 -1.206 -8.944 6.644 1.00 53.33 C ATOM 1589 OG1 THR A 642 -1.967 -8.127 5.758 1.00 12.32 O ATOM 1590 CG2 THR A 642 -1.640 -10.370 6.299 1.00 24.24 C ATOM 0 H THR A 642 -3.670 -9.120 8.139 1.00 64.50 H new ATOM 0 HA THR A 642 -0.814 -8.581 8.712 1.00 23.14 H new ATOM 0 HB THR A 642 -0.120 -8.870 6.582 1.00 53.33 H new ATOM 0 HG1 THR A 642 -2.744 -8.630 5.436 1.00 12.32 H new ATOM 0 HG21 THR A 642 -1.287 -10.626 5.300 1.00 24.24 H new ATOM 0 HG22 THR A 642 -1.215 -11.065 7.023 1.00 24.24 H new ATOM 0 HG23 THR A 642 -2.728 -10.436 6.328 1.00 24.24 H new ATOM 1598 N PRO A 643 -1.124 -6.136 8.139 1.00 32.41 N ATOM 1599 CA PRO A 643 -1.414 -4.714 8.201 1.00 41.10 C ATOM 1600 C PRO A 643 -1.888 -4.191 6.843 1.00 23.23 C ATOM 1601 O PRO A 643 -2.134 -2.997 6.686 1.00 54.53 O ATOM 1602 CB PRO A 643 -0.119 -4.069 8.667 1.00 50.30 C ATOM 1603 CG PRO A 643 0.975 -5.091 8.402 1.00 13.44 C ATOM 1604 CD PRO A 643 0.306 -6.427 8.124 1.00 24.14 C ATOM 0 HA PRO A 643 -2.229 -4.480 8.886 1.00 41.10 H new ATOM 0 HB2 PRO A 643 0.073 -3.143 8.126 1.00 50.30 H new ATOM 0 HB3 PRO A 643 -0.168 -3.815 9.726 1.00 50.30 H new ATOM 0 HG2 PRO A 643 1.585 -4.785 7.552 1.00 13.44 H new ATOM 0 HG3 PRO A 643 1.641 -5.169 9.261 1.00 13.44 H new ATOM 0 HD2 PRO A 643 0.617 -6.833 7.162 1.00 24.14 H new ATOM 0 HD3 PRO A 643 0.568 -7.166 8.881 1.00 24.14 H new ATOM 1612 N GLN A 644 -2.001 -5.112 5.897 1.00 2.03 N ATOM 1613 CA GLN A 644 -2.441 -4.759 4.558 1.00 22.12 C ATOM 1614 C GLN A 644 -3.806 -5.386 4.266 1.00 44.35 C ATOM 1615 O GLN A 644 -4.351 -5.213 3.177 1.00 54.31 O ATOM 1616 CB GLN A 644 -1.408 -5.182 3.512 1.00 24.32 C ATOM 1617 CG GLN A 644 0.012 -4.861 3.983 1.00 64.30 C ATOM 1618 CD GLN A 644 1.010 -4.966 2.828 1.00 71.24 C ATOM 1619 OE1 GLN A 644 1.179 -4.055 2.035 1.00 50.44 O ATOM 1620 NE2 GLN A 644 1.659 -6.126 2.777 1.00 1.10 N ATOM 0 H GLN A 644 -1.795 -6.102 6.031 1.00 2.03 H new ATOM 0 HA GLN A 644 -2.541 -3.675 4.503 1.00 22.12 H new ATOM 0 HB2 GLN A 644 -1.498 -6.251 3.318 1.00 24.32 H new ATOM 0 HB3 GLN A 644 -1.607 -4.670 2.571 1.00 24.32 H new ATOM 0 HG2 GLN A 644 0.041 -3.856 4.403 1.00 64.30 H new ATOM 0 HG3 GLN A 644 0.299 -5.548 4.780 1.00 64.30 H new ATOM 0 HE21 GLN A 644 1.470 -6.847 3.473 1.00 1.10 H new ATOM 0 HE22 GLN A 644 2.346 -6.294 2.042 1.00 1.10 H new ATOM 1629 N GLY A 645 -4.318 -6.101 5.257 1.00 44.45 N ATOM 1630 CA GLY A 645 -5.608 -6.754 5.119 1.00 52.10 C ATOM 1631 C GLY A 645 -5.456 -8.276 5.131 1.00 72.34 C ATOM 1632 O GLY A 645 -4.703 -8.835 4.334 1.00 10.43 O ATOM 0 H GLY A 645 -3.863 -6.242 6.159 1.00 44.45 H new ATOM 0 HA2 GLY A 645 -6.265 -6.444 5.932 1.00 52.10 H new ATOM 0 HA3 GLY A 645 -6.081 -6.440 4.189 1.00 52.10 H new ATOM 1636 N ARG A 646 -6.184 -8.905 6.042 1.00 4.34 N ATOM 1637 CA ARG A 646 -6.139 -10.352 6.168 1.00 12.42 C ATOM 1638 C ARG A 646 -6.057 -11.002 4.786 1.00 64.31 C ATOM 1639 O ARG A 646 -6.582 -10.467 3.811 1.00 11.53 O ATOM 1640 CB ARG A 646 -7.375 -10.879 6.900 1.00 71.14 C ATOM 1641 CG ARG A 646 -7.149 -10.900 8.413 1.00 54.02 C ATOM 1642 CD ARG A 646 -8.462 -11.148 9.159 1.00 24.55 C ATOM 1643 NE ARG A 646 -8.574 -10.222 10.308 1.00 25.01 N ATOM 1644 CZ ARG A 646 -9.039 -8.958 10.218 1.00 1.14 C ATOM 1645 NH1 ARG A 646 -9.440 -8.458 9.030 1.00 33.32 N ATOM 1646 NH2 ARG A 646 -9.095 -8.218 11.310 1.00 54.32 N ATOM 0 H ARG A 646 -6.809 -8.439 6.700 1.00 4.34 H new ATOM 0 HA ARG A 646 -5.251 -10.608 6.747 1.00 12.42 H new ATOM 0 HB2 ARG A 646 -8.235 -10.252 6.666 1.00 71.14 H new ATOM 0 HB3 ARG A 646 -7.608 -11.884 6.550 1.00 71.14 H new ATOM 0 HG2 ARG A 646 -6.430 -11.679 8.666 1.00 54.02 H new ATOM 0 HG3 ARG A 646 -6.718 -9.952 8.733 1.00 54.02 H new ATOM 0 HD2 ARG A 646 -9.306 -11.006 8.484 1.00 24.55 H new ATOM 0 HD3 ARG A 646 -8.502 -12.180 9.508 1.00 24.55 H new ATOM 0 HE ARG A 646 -8.282 -10.560 11.225 1.00 25.01 H new ATOM 0 HH11 ARG A 646 -9.393 -9.036 8.191 1.00 33.32 H new ATOM 0 HH12 ARG A 646 -9.790 -7.502 8.971 1.00 33.32 H new ATOM 0 HH21 ARG A 646 -8.790 -8.604 12.204 1.00 54.32 H new ATOM 0 HH22 ARG A 646 -9.444 -7.261 11.260 1.00 54.32 H new ATOM 1659 N ILE A 647 -5.393 -12.148 4.745 1.00 21.31 N ATOM 1660 CA ILE A 647 -5.235 -12.878 3.498 1.00 1.34 C ATOM 1661 C ILE A 647 -5.631 -14.340 3.714 1.00 0.32 C ATOM 1662 O ILE A 647 -5.164 -14.981 4.654 1.00 44.10 O ATOM 1663 CB ILE A 647 -3.818 -12.699 2.949 1.00 31.01 C ATOM 1664 CG1 ILE A 647 -3.569 -11.247 2.537 1.00 2.31 C ATOM 1665 CG2 ILE A 647 -3.548 -13.675 1.802 1.00 42.31 C ATOM 1666 CD1 ILE A 647 -2.108 -10.855 2.766 1.00 64.03 C ATOM 0 H ILE A 647 -4.958 -12.589 5.555 1.00 21.31 H new ATOM 0 HA ILE A 647 -5.901 -12.477 2.734 1.00 1.34 H new ATOM 0 HB ILE A 647 -3.111 -12.933 3.745 1.00 31.01 H new ATOM 0 HG12 ILE A 647 -3.824 -11.115 1.486 1.00 2.31 H new ATOM 0 HG13 ILE A 647 -4.220 -10.586 3.109 1.00 2.31 H new ATOM 0 HG21 ILE A 647 -2.534 -13.527 1.430 1.00 42.31 H new ATOM 0 HG22 ILE A 647 -3.657 -14.698 2.162 1.00 42.31 H new ATOM 0 HG23 ILE A 647 -4.260 -13.496 0.997 1.00 42.31 H new ATOM 0 HD11 ILE A 647 -1.958 -9.818 2.465 1.00 64.03 H new ATOM 0 HD12 ILE A 647 -1.863 -10.965 3.822 1.00 64.03 H new ATOM 0 HD13 ILE A 647 -1.461 -11.502 2.174 1.00 64.03 H new ATOM 1678 N GLN A 648 -6.489 -14.824 2.828 1.00 4.00 N ATOM 1679 CA GLN A 648 -6.953 -16.198 2.910 1.00 60.43 C ATOM 1680 C GLN A 648 -6.683 -16.929 1.593 1.00 61.11 C ATOM 1681 O GLN A 648 -7.316 -16.641 0.578 1.00 23.41 O ATOM 1682 CB GLN A 648 -8.438 -16.255 3.273 1.00 0.24 C ATOM 1683 CG GLN A 648 -8.797 -17.600 3.907 1.00 24.35 C ATOM 1684 CD GLN A 648 -8.850 -18.707 2.852 1.00 11.22 C ATOM 1685 OE1 GLN A 648 -7.843 -19.134 2.312 1.00 71.11 O ATOM 1686 NE2 GLN A 648 -10.078 -19.145 2.590 1.00 70.41 N ATOM 0 H GLN A 648 -6.875 -14.289 2.050 1.00 4.00 H new ATOM 0 HA GLN A 648 -6.399 -16.701 3.703 1.00 60.43 H new ATOM 0 HB2 GLN A 648 -8.678 -15.447 3.965 1.00 0.24 H new ATOM 0 HB3 GLN A 648 -9.041 -16.098 2.378 1.00 0.24 H new ATOM 0 HG2 GLN A 648 -8.061 -17.855 4.670 1.00 24.35 H new ATOM 0 HG3 GLN A 648 -9.762 -17.524 4.408 1.00 24.35 H new ATOM 0 HE21 GLN A 648 -10.878 -18.743 3.079 1.00 70.41 H new ATOM 0 HE22 GLN A 648 -10.220 -19.883 1.900 1.00 70.41 H new ATOM 1695 N ALA A 649 -5.742 -17.860 1.652 1.00 72.22 N ATOM 1696 CA ALA A 649 -5.381 -18.634 0.476 1.00 24.35 C ATOM 1697 C ALA A 649 -5.560 -20.124 0.777 1.00 2.31 C ATOM 1698 O ALA A 649 -5.754 -20.509 1.929 1.00 73.21 O ATOM 1699 CB ALA A 649 -3.949 -18.292 0.060 1.00 42.30 C ATOM 0 H ALA A 649 -5.219 -18.096 2.495 1.00 72.22 H new ATOM 0 HA ALA A 649 -6.033 -18.386 -0.362 1.00 24.35 H new ATOM 0 HB1 ALA A 649 -3.678 -18.872 -0.822 1.00 42.30 H new ATOM 0 HB2 ALA A 649 -3.881 -17.229 -0.170 1.00 42.30 H new ATOM 0 HB3 ALA A 649 -3.266 -18.531 0.875 1.00 42.30 H new ATOM 1705 N LYS A 650 -5.488 -20.921 -0.279 1.00 1.31 N ATOM 1706 CA LYS A 650 -5.640 -22.359 -0.142 1.00 62.35 C ATOM 1707 C LYS A 650 -4.269 -23.027 -0.272 1.00 12.03 C ATOM 1708 O LYS A 650 -4.093 -24.174 0.135 1.00 60.53 O ATOM 1709 CB LYS A 650 -6.676 -22.885 -1.137 1.00 73.43 C ATOM 1710 CG LYS A 650 -7.732 -21.821 -1.444 1.00 1.14 C ATOM 1711 CD LYS A 650 -9.062 -22.465 -1.838 1.00 33.50 C ATOM 1712 CE LYS A 650 -9.416 -22.147 -3.292 1.00 62.52 C ATOM 1713 NZ LYS A 650 -10.835 -22.467 -3.562 1.00 73.43 N ATOM 0 H LYS A 650 -5.326 -20.598 -1.233 1.00 1.31 H new ATOM 0 HA LYS A 650 -6.025 -22.609 0.847 1.00 62.35 H new ATOM 0 HB2 LYS A 650 -6.179 -23.186 -2.059 1.00 73.43 H new ATOM 0 HB3 LYS A 650 -7.158 -23.774 -0.730 1.00 73.43 H new ATOM 0 HG2 LYS A 650 -7.877 -21.185 -0.571 1.00 1.14 H new ATOM 0 HG3 LYS A 650 -7.382 -21.179 -2.252 1.00 1.14 H new ATOM 0 HD2 LYS A 650 -9.001 -23.545 -1.703 1.00 33.50 H new ATOM 0 HD3 LYS A 650 -9.853 -22.105 -1.180 1.00 33.50 H new ATOM 0 HE2 LYS A 650 -9.230 -21.092 -3.495 1.00 62.52 H new ATOM 0 HE3 LYS A 650 -8.774 -22.719 -3.962 1.00 62.52 H new ATOM 0 HZ1 LYS A 650 -11.058 -22.245 -4.553 1.00 73.43 H new ATOM 0 HZ2 LYS A 650 -11.002 -23.479 -3.387 1.00 73.43 H new ATOM 0 HZ3 LYS A 650 -11.443 -21.902 -2.935 1.00 73.43 H new ATOM 1726 N LYS A 651 -3.334 -22.280 -0.839 1.00 43.12 N ATOM 1727 CA LYS A 651 -1.984 -22.785 -1.027 1.00 73.00 C ATOM 1728 C LYS A 651 -1.014 -21.966 -0.173 1.00 34.32 C ATOM 1729 O LYS A 651 -1.097 -20.740 -0.137 1.00 2.53 O ATOM 1730 CB LYS A 651 -1.624 -22.810 -2.514 1.00 22.23 C ATOM 1731 CG LYS A 651 -2.296 -23.989 -3.221 1.00 3.10 C ATOM 1732 CD LYS A 651 -3.701 -23.614 -3.696 1.00 60.33 C ATOM 1733 CE LYS A 651 -3.641 -22.765 -4.967 1.00 55.24 C ATOM 1734 NZ LYS A 651 -4.956 -22.141 -5.236 1.00 14.34 N ATOM 0 H LYS A 651 -3.484 -21.329 -1.175 1.00 43.12 H new ATOM 0 HA LYS A 651 -1.913 -23.818 -0.688 1.00 73.00 H new ATOM 0 HB2 LYS A 651 -1.934 -21.876 -2.983 1.00 22.23 H new ATOM 0 HB3 LYS A 651 -0.542 -22.881 -2.629 1.00 22.23 H new ATOM 0 HG2 LYS A 651 -1.691 -24.300 -4.073 1.00 3.10 H new ATOM 0 HG3 LYS A 651 -2.353 -24.840 -2.543 1.00 3.10 H new ATOM 0 HD2 LYS A 651 -4.278 -24.519 -3.886 1.00 60.33 H new ATOM 0 HD3 LYS A 651 -4.220 -23.064 -2.911 1.00 60.33 H new ATOM 0 HE2 LYS A 651 -2.880 -21.992 -4.859 1.00 55.24 H new ATOM 0 HE3 LYS A 651 -3.347 -23.386 -5.813 1.00 55.24 H new ATOM 0 HZ1 LYS A 651 -4.898 -21.568 -6.102 1.00 14.34 H new ATOM 0 HZ2 LYS A 651 -5.674 -22.883 -5.359 1.00 14.34 H new ATOM 0 HZ3 LYS A 651 -5.222 -21.532 -4.436 1.00 14.34 H new ATOM 1747 N TRP A 652 -0.118 -22.678 0.494 1.00 65.01 N ATOM 1748 CA TRP A 652 0.867 -22.033 1.346 1.00 41.34 C ATOM 1749 C TRP A 652 1.811 -21.227 0.451 1.00 54.44 C ATOM 1750 O TRP A 652 2.592 -20.413 0.940 1.00 4.13 O ATOM 1751 CB TRP A 652 1.598 -23.059 2.214 1.00 51.14 C ATOM 1752 CG TRP A 652 0.685 -23.824 3.174 1.00 63.31 C ATOM 1753 CD1 TRP A 652 -0.087 -24.887 2.908 1.00 50.53 C ATOM 1754 CD2 TRP A 652 0.480 -23.542 4.574 1.00 2.42 C ATOM 1755 NE1 TRP A 652 -0.772 -25.307 4.029 1.00 33.43 N ATOM 1756 CE2 TRP A 652 -0.416 -24.464 5.075 1.00 52.41 C ATOM 1757 CE3 TRP A 652 1.034 -22.540 5.391 1.00 40.12 C ATOM 1758 CZ2 TRP A 652 -0.838 -24.476 6.410 1.00 53.33 C ATOM 1759 CZ3 TRP A 652 0.602 -22.566 6.722 1.00 11.43 C ATOM 1760 CH2 TRP A 652 -0.300 -23.487 7.242 1.00 41.12 C ATOM 0 H TRP A 652 -0.053 -23.695 0.462 1.00 65.01 H new ATOM 0 HA TRP A 652 0.384 -21.352 2.046 1.00 41.34 H new ATOM 0 HB2 TRP A 652 2.106 -23.773 1.565 1.00 51.14 H new ATOM 0 HB3 TRP A 652 2.369 -22.548 2.791 1.00 51.14 H new ATOM 0 HD1 TRP A 652 -0.163 -25.356 1.938 1.00 50.53 H new ATOM 0 HE1 TRP A 652 -1.421 -26.092 4.081 1.00 33.43 H new ATOM 0 HE3 TRP A 652 1.737 -21.809 5.021 1.00 40.12 H new ATOM 0 HZ2 TRP A 652 -1.541 -25.209 6.778 1.00 53.33 H new ATOM 0 HZ3 TRP A 652 0.997 -21.817 7.393 1.00 11.43 H new ATOM 0 HH2 TRP A 652 -0.584 -23.440 8.283 1.00 41.12 H new ATOM 1771 N SER A 653 1.706 -21.481 -0.845 1.00 43.25 N ATOM 1772 CA SER A 653 2.540 -20.789 -1.813 1.00 45.14 C ATOM 1773 C SER A 653 2.199 -19.298 -1.827 1.00 52.44 C ATOM 1774 O SER A 653 2.919 -18.498 -2.422 1.00 43.51 O ATOM 1775 CB SER A 653 2.371 -21.385 -3.212 1.00 65.31 C ATOM 1776 OG SER A 653 3.164 -20.705 -4.182 1.00 13.02 O ATOM 0 H SER A 653 1.056 -22.156 -1.247 1.00 43.25 H new ATOM 0 HA SER A 653 3.582 -20.914 -1.518 1.00 45.14 H new ATOM 0 HB2 SER A 653 2.647 -22.439 -3.193 1.00 65.31 H new ATOM 0 HB3 SER A 653 1.322 -21.336 -3.503 1.00 65.31 H new ATOM 0 HG SER A 653 3.423 -19.826 -3.835 1.00 13.02 H new ATOM 1782 N ARG A 654 1.099 -18.969 -1.165 1.00 43.13 N ATOM 1783 CA ARG A 654 0.653 -17.588 -1.094 1.00 42.20 C ATOM 1784 C ARG A 654 1.067 -16.965 0.241 1.00 52.43 C ATOM 1785 O ARG A 654 1.292 -15.758 0.323 1.00 21.21 O ATOM 1786 CB ARG A 654 -0.866 -17.491 -1.245 1.00 73.40 C ATOM 1787 CG ARG A 654 -1.354 -18.328 -2.430 1.00 43.40 C ATOM 1788 CD ARG A 654 -0.867 -17.737 -3.755 1.00 14.21 C ATOM 1789 NE ARG A 654 -1.961 -16.979 -4.403 1.00 31.11 N ATOM 1790 CZ ARG A 654 -1.776 -16.079 -5.391 1.00 42.54 C ATOM 1791 NH1 ARG A 654 -0.535 -15.815 -5.855 1.00 34.23 N ATOM 1792 NH2 ARG A 654 -2.826 -15.459 -5.898 1.00 64.21 N ATOM 0 H ARG A 654 0.504 -19.635 -0.673 1.00 43.13 H new ATOM 0 HA ARG A 654 1.123 -17.045 -1.914 1.00 42.20 H new ATOM 0 HB2 ARG A 654 -1.349 -17.834 -0.330 1.00 73.40 H new ATOM 0 HB3 ARG A 654 -1.155 -16.450 -1.387 1.00 73.40 H new ATOM 0 HG2 ARG A 654 -0.994 -19.352 -2.330 1.00 43.40 H new ATOM 0 HG3 ARG A 654 -2.443 -18.372 -2.425 1.00 43.40 H new ATOM 0 HD2 ARG A 654 -0.014 -17.082 -3.579 1.00 14.21 H new ATOM 0 HD3 ARG A 654 -0.525 -18.535 -4.415 1.00 14.21 H new ATOM 0 HE ARG A 654 -2.915 -17.148 -4.082 1.00 31.11 H new ATOM 0 HH11 ARG A 654 0.271 -16.298 -5.458 1.00 34.23 H new ATOM 0 HH12 ARG A 654 -0.404 -15.133 -6.602 1.00 34.23 H new ATOM 0 HH21 ARG A 654 -3.760 -15.663 -5.542 1.00 64.21 H new ATOM 0 HH22 ARG A 654 -2.703 -14.776 -6.645 1.00 64.21 H new ATOM 1805 N VAL A 655 1.154 -17.815 1.253 1.00 70.23 N ATOM 1806 CA VAL A 655 1.537 -17.363 2.580 1.00 55.14 C ATOM 1807 C VAL A 655 2.650 -16.321 2.457 1.00 25.32 C ATOM 1808 O VAL A 655 3.722 -16.613 1.929 1.00 43.41 O ATOM 1809 CB VAL A 655 1.930 -18.560 3.447 1.00 22.12 C ATOM 1810 CG1 VAL A 655 2.941 -18.151 4.520 1.00 1.31 C ATOM 1811 CG2 VAL A 655 0.696 -19.211 4.076 1.00 44.12 C ATOM 0 H VAL A 655 0.966 -18.815 1.181 1.00 70.23 H new ATOM 0 HA VAL A 655 0.695 -16.882 3.078 1.00 55.14 H new ATOM 0 HB VAL A 655 2.406 -19.299 2.802 1.00 22.12 H new ATOM 0 HG11 VAL A 655 3.204 -19.020 5.123 1.00 1.31 H new ATOM 0 HG12 VAL A 655 3.838 -17.756 4.043 1.00 1.31 H new ATOM 0 HG13 VAL A 655 2.503 -17.385 5.160 1.00 1.31 H new ATOM 0 HG21 VAL A 655 1.004 -20.059 4.687 1.00 44.12 H new ATOM 0 HG22 VAL A 655 0.179 -18.483 4.700 1.00 44.12 H new ATOM 0 HG23 VAL A 655 0.025 -19.555 3.289 1.00 44.12 H new ATOM 1821 N PRO A 656 2.351 -15.097 2.968 1.00 51.25 N ATOM 1822 CA PRO A 656 3.314 -14.010 2.921 1.00 65.35 C ATOM 1823 C PRO A 656 4.419 -14.212 3.960 1.00 41.41 C ATOM 1824 O PRO A 656 5.595 -13.996 3.671 1.00 61.11 O ATOM 1825 CB PRO A 656 2.498 -12.750 3.158 1.00 63.15 C ATOM 1826 CG PRO A 656 1.194 -13.211 3.788 1.00 51.33 C ATOM 1827 CD PRO A 656 1.092 -14.716 3.601 1.00 53.45 C ATOM 0 HA PRO A 656 3.839 -13.954 1.967 1.00 65.35 H new ATOM 0 HB2 PRO A 656 3.027 -12.060 3.815 1.00 63.15 H new ATOM 0 HB3 PRO A 656 2.315 -12.222 2.222 1.00 63.15 H new ATOM 0 HG2 PRO A 656 1.171 -12.956 4.847 1.00 51.33 H new ATOM 0 HG3 PRO A 656 0.346 -12.710 3.321 1.00 51.33 H new ATOM 0 HD2 PRO A 656 0.959 -15.225 4.555 1.00 53.45 H new ATOM 0 HD3 PRO A 656 0.239 -14.981 2.976 1.00 53.45 H new ATOM 1835 N PHE A 657 4.002 -14.623 5.148 1.00 14.32 N ATOM 1836 CA PHE A 657 4.941 -14.856 6.232 1.00 11.31 C ATOM 1837 C PHE A 657 5.814 -16.079 5.947 1.00 22.33 C ATOM 1838 O PHE A 657 5.390 -17.001 5.252 1.00 33.12 O ATOM 1839 CB PHE A 657 4.114 -15.116 7.492 1.00 33.54 C ATOM 1840 CG PHE A 657 3.471 -16.504 7.539 1.00 61.21 C ATOM 1841 CD1 PHE A 657 4.222 -17.591 7.862 1.00 1.01 C ATOM 1842 CD2 PHE A 657 2.149 -16.651 7.257 1.00 53.01 C ATOM 1843 CE1 PHE A 657 3.626 -18.879 7.905 1.00 14.13 C ATOM 1844 CE2 PHE A 657 1.552 -17.939 7.300 1.00 2.21 C ATOM 1845 CZ PHE A 657 2.303 -19.026 7.623 1.00 2.44 C ATOM 0 H PHE A 657 3.026 -14.801 5.384 1.00 14.32 H new ATOM 0 HA PHE A 657 5.598 -13.994 6.348 1.00 11.31 H new ATOM 0 HB2 PHE A 657 4.754 -14.993 8.366 1.00 33.54 H new ATOM 0 HB3 PHE A 657 3.331 -14.361 7.562 1.00 33.54 H new ATOM 0 HD1 PHE A 657 5.272 -17.474 8.086 1.00 1.01 H new ATOM 0 HD2 PHE A 657 1.553 -15.788 7.000 1.00 53.01 H new ATOM 0 HE1 PHE A 657 4.223 -19.742 8.161 1.00 14.13 H new ATOM 0 HE2 PHE A 657 0.502 -18.055 7.076 1.00 2.21 H new ATOM 0 HZ PHE A 657 1.849 -20.006 7.656 1.00 2.44 H new ATOM 1855 N SER A 658 7.018 -16.048 6.499 1.00 64.41 N ATOM 1856 CA SER A 658 7.955 -17.144 6.313 1.00 41.41 C ATOM 1857 C SER A 658 7.972 -18.035 7.557 1.00 41.44 C ATOM 1858 O SER A 658 7.748 -17.559 8.669 1.00 55.05 O ATOM 1859 CB SER A 658 9.362 -16.621 6.016 1.00 52.55 C ATOM 1860 OG SER A 658 9.334 -15.410 5.263 1.00 35.45 O ATOM 0 H SER A 658 7.367 -15.282 7.075 1.00 64.41 H new ATOM 0 HA SER A 658 7.627 -17.733 5.456 1.00 41.41 H new ATOM 0 HB2 SER A 658 9.892 -16.453 6.954 1.00 52.55 H new ATOM 0 HB3 SER A 658 9.921 -17.377 5.465 1.00 52.55 H new ATOM 0 HG SER A 658 10.251 -15.108 5.095 1.00 35.45 H new ATOM 1866 N VAL A 659 8.240 -19.312 7.327 1.00 45.52 N ATOM 1867 CA VAL A 659 8.290 -20.273 8.415 1.00 74.52 C ATOM 1868 C VAL A 659 9.395 -21.294 8.138 1.00 63.12 C ATOM 1869 O VAL A 659 9.295 -22.085 7.201 1.00 35.13 O ATOM 1870 CB VAL A 659 6.915 -20.918 8.606 1.00 62.12 C ATOM 1871 CG1 VAL A 659 6.126 -20.924 7.295 1.00 33.44 C ATOM 1872 CG2 VAL A 659 7.047 -22.333 9.173 1.00 4.24 C ATOM 0 H VAL A 659 8.425 -19.703 6.403 1.00 45.52 H new ATOM 0 HA VAL A 659 8.535 -19.775 9.353 1.00 74.52 H new ATOM 0 HB VAL A 659 6.361 -20.318 9.328 1.00 62.12 H new ATOM 0 HG11 VAL A 659 5.153 -21.388 7.458 1.00 33.44 H new ATOM 0 HG12 VAL A 659 5.987 -19.900 6.950 1.00 33.44 H new ATOM 0 HG13 VAL A 659 6.676 -21.489 6.542 1.00 33.44 H new ATOM 0 HG21 VAL A 659 6.056 -22.768 9.299 1.00 4.24 H new ATOM 0 HG22 VAL A 659 7.629 -22.948 8.486 1.00 4.24 H new ATOM 0 HG23 VAL A 659 7.551 -22.292 10.139 1.00 4.24 H new ATOM 1882 N PRO A 660 10.453 -21.242 8.991 1.00 13.25 N ATOM 1883 CA PRO A 660 11.576 -22.152 8.848 1.00 41.00 C ATOM 1884 C PRO A 660 11.210 -23.556 9.333 1.00 73.12 C ATOM 1885 O PRO A 660 10.406 -23.710 10.251 1.00 55.41 O ATOM 1886 CB PRO A 660 12.700 -21.520 9.653 1.00 12.00 C ATOM 1887 CG PRO A 660 12.033 -20.528 10.592 1.00 31.01 C ATOM 1888 CD PRO A 660 10.606 -20.318 10.112 1.00 62.32 C ATOM 0 HA PRO A 660 11.876 -22.289 7.809 1.00 41.00 H new ATOM 0 HB2 PRO A 660 13.253 -22.275 10.211 1.00 12.00 H new ATOM 0 HB3 PRO A 660 13.415 -21.020 9.000 1.00 12.00 H new ATOM 0 HG2 PRO A 660 12.040 -20.906 11.614 1.00 31.01 H new ATOM 0 HG3 PRO A 660 12.577 -19.583 10.598 1.00 31.01 H new ATOM 0 HD2 PRO A 660 9.887 -20.532 10.903 1.00 62.32 H new ATOM 0 HD3 PRO A 660 10.440 -19.287 9.801 1.00 62.32 H new ATOM 1896 N ASP A 661 11.817 -24.545 8.694 1.00 24.34 N ATOM 1897 CA ASP A 661 11.565 -25.932 9.049 1.00 3.42 C ATOM 1898 C ASP A 661 11.522 -26.064 10.573 1.00 55.32 C ATOM 1899 O ASP A 661 12.163 -25.293 11.285 1.00 51.20 O ATOM 1900 CB ASP A 661 12.676 -26.845 8.527 1.00 5.52 C ATOM 1901 CG ASP A 661 12.421 -28.342 8.707 1.00 20.34 C ATOM 1902 OD1 ASP A 661 11.366 -28.754 9.212 1.00 53.02 O ATOM 1903 OD2 ASP A 661 13.374 -29.111 8.300 1.00 55.35 O ATOM 0 H ASP A 661 12.483 -24.414 7.932 1.00 24.34 H new ATOM 0 HA ASP A 661 10.616 -26.227 8.602 1.00 3.42 H new ATOM 0 HB2 ASP A 661 12.824 -26.642 7.466 1.00 5.52 H new ATOM 0 HB3 ASP A 661 13.606 -26.587 9.034 1.00 5.52 H new ATOM 1909 N PHE A 662 10.759 -27.047 11.028 1.00 55.31 N ATOM 1910 CA PHE A 662 10.623 -27.290 12.454 1.00 13.30 C ATOM 1911 C PHE A 662 11.915 -27.865 13.038 1.00 73.23 C ATOM 1912 O PHE A 662 12.344 -28.952 12.653 1.00 40.43 O ATOM 1913 CB PHE A 662 9.498 -28.313 12.628 1.00 4.43 C ATOM 1914 CG PHE A 662 9.292 -28.771 14.074 1.00 45.34 C ATOM 1915 CD1 PHE A 662 10.081 -29.747 14.596 1.00 24.33 C ATOM 1916 CD2 PHE A 662 8.320 -28.201 14.835 1.00 24.25 C ATOM 1917 CE1 PHE A 662 9.890 -30.172 15.938 1.00 64.43 C ATOM 1918 CE2 PHE A 662 8.129 -28.626 16.177 1.00 64.33 C ATOM 1919 CZ PHE A 662 8.918 -29.603 16.700 1.00 43.14 C ATOM 0 H PHE A 662 10.229 -27.685 10.434 1.00 55.31 H new ATOM 0 HA PHE A 662 10.407 -26.356 12.972 1.00 13.30 H new ATOM 0 HB2 PHE A 662 8.568 -27.881 12.258 1.00 4.43 H new ATOM 0 HB3 PHE A 662 9.714 -29.184 12.009 1.00 4.43 H new ATOM 0 HD1 PHE A 662 10.853 -30.199 13.991 1.00 24.33 H new ATOM 0 HD2 PHE A 662 7.694 -27.426 14.419 1.00 24.25 H new ATOM 0 HE1 PHE A 662 10.517 -30.947 16.353 1.00 64.43 H new ATOM 0 HE2 PHE A 662 7.357 -28.173 16.782 1.00 64.33 H new ATOM 0 HZ PHE A 662 8.772 -29.927 17.720 1.00 43.14 H new