USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1052 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 650 CYS SG : rot -5:sc= 0.0266 USER MOD Set 1.2: A 719 GLN : amide:sc= -2.03 X(o=-2,f=-1.6) USER MOD Set 2.1: A 654 THR OG1 : rot -13:sc= 0.00714 USER MOD Set 2.2: A 666 GLN :FLIP amide:sc= -1.85! C(o=-2.8!,f=-1.8!) USER MOD Set 3.1: A 622 HIS : no HE2:sc= -8.19! C(o=-14!,f=-15!) USER MOD Set 3.2: A 623 CYS SG : rot -144:sc= -1 USER MOD Set 3.3: A 649 TYR OH : rot 2:sc= 1.32 USER MOD Set 3.4: A 651 HIS : no HD1:sc= -6.55! C(o=-14!,f=-26!) USER MOD Set 3.5: A 657 SER OG : rot -121:sc= 0.423 USER MOD Single : A 579 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot -105:sc= -0.91! USER MOD Single : A 589 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.9!) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 595 GLN :FLIP amide:sc= -3.24! F(o=-6.2,f=-3.2!) USER MOD Single : A 596 GLN :FLIP amide:sc= -0.14 F(o=-1.4,f=-0.14) USER MOD Single : A 599 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.7!) USER MOD Single : A 606 SER OG : rot 180:sc= 0 USER MOD Single : A 609 CYS SG : rot 103:sc= -6.26! USER MOD Single : A 610 ASN : amide:sc= -4.22! C(o=-4.2!,f=-4.1!) USER MOD Single : A 611 CYS SG : rot -154:sc= -8.18! USER MOD Single : A 612 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 627 LYS NZ :NH3+ -114:sc= -2.67! (180deg=-3.38!) USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-1.7) USER MOD Single : A 652 THR OG1 : rot -130:sc= -0.75! USER MOD Single : A 655 ASN :FLIP amide:sc= -0.852 F(o=-1.4!,f=-0.85) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.065) USER MOD Single : A 661 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.5!) USER MOD Single : A 662 ASN : amide:sc= -4.29! C(o=-4.3!,f=-9.5!) USER MOD Single : A 664 MET CE :methyl 147:sc= -5.76! (180deg=-11.4!) USER MOD Single : A 668 THR OG1 : rot -87:sc= 0.339 USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 ASN : amide:sc=-0.00242 K(o=-0.0024,f=-0.74) USER MOD Single : A 686 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.46) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 LYS NZ :NH3+ 150:sc= -0.179 (180deg=-1.07) USER MOD Single : A 697 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 699 THR OG1 : rot -14:sc= 0.956 USER MOD Single : A 700 THR OG1 : rot -69:sc= 0.617 USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot -38:sc= 0.264 USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0745) USER MOD ----------------------------------------------------------------- ATOM 29 N ARG A 576 -13.406 5.013 -12.206 1.00 0.41 N ATOM 30 CA ARG A 576 -12.400 4.318 -12.996 1.00 0.36 C ATOM 31 C ARG A 576 -11.480 5.319 -13.651 1.00 0.37 C ATOM 32 O ARG A 576 -11.926 6.258 -14.309 1.00 0.52 O ATOM 33 CB ARG A 576 -13.057 3.435 -14.058 1.00 0.41 C ATOM 34 CG ARG A 576 -12.144 2.341 -14.591 1.00 0.41 C ATOM 35 CD ARG A 576 -11.227 2.861 -15.687 1.00 0.89 C ATOM 36 NE ARG A 576 -11.956 3.629 -16.694 1.00 1.15 N ATOM 37 CZ ARG A 576 -12.750 3.081 -17.613 1.00 1.18 C ATOM 38 NH1 ARG A 576 -12.914 1.765 -17.657 1.00 1.74 N ATOM 39 NH2 ARG A 576 -13.380 3.852 -18.488 1.00 1.62 N ATOM 0 HA ARG A 576 -11.820 3.678 -12.331 1.00 0.36 H new ATOM 0 HB2 ARG A 576 -13.951 2.976 -13.635 1.00 0.41 H new ATOM 0 HB3 ARG A 576 -13.383 4.061 -14.888 1.00 0.41 H new ATOM 0 HG2 ARG A 576 -11.544 1.937 -13.775 1.00 0.41 H new ATOM 0 HG3 ARG A 576 -12.747 1.520 -14.979 1.00 0.41 H new ATOM 0 HD2 ARG A 576 -10.452 3.487 -15.244 1.00 0.89 H new ATOM 0 HD3 ARG A 576 -10.723 2.022 -16.166 1.00 0.89 H new ATOM 0 HE ARG A 576 -11.851 4.644 -16.693 1.00 1.15 H new ATOM 0 HH11 ARG A 576 -12.431 1.168 -16.985 1.00 1.74 H new ATOM 0 HH12 ARG A 576 -13.523 1.350 -18.362 1.00 1.74 H new ATOM 0 HH21 ARG A 576 -13.257 4.864 -18.458 1.00 1.62 H new ATOM 0 HH22 ARG A 576 -13.988 3.433 -19.192 1.00 1.62 H new ATOM 53 N PHE A 577 -10.195 5.124 -13.445 1.00 0.30 N ATOM 54 CA PHE A 577 -9.202 6.017 -13.991 1.00 0.31 C ATOM 55 C PHE A 577 -8.213 5.255 -14.860 1.00 0.28 C ATOM 56 O PHE A 577 -7.858 5.682 -15.959 1.00 0.32 O ATOM 57 CB PHE A 577 -8.475 6.715 -12.839 1.00 0.33 C ATOM 58 CG PHE A 577 -7.082 6.215 -12.567 1.00 0.43 C ATOM 59 CD1 PHE A 577 -6.871 5.139 -11.720 1.00 0.54 C ATOM 60 CD2 PHE A 577 -5.987 6.824 -13.156 1.00 0.53 C ATOM 61 CE1 PHE A 577 -5.593 4.679 -11.468 1.00 0.67 C ATOM 62 CE2 PHE A 577 -4.707 6.368 -12.909 1.00 0.67 C ATOM 63 CZ PHE A 577 -4.510 5.295 -12.062 1.00 0.72 C ATOM 0 H PHE A 577 -9.815 4.350 -12.900 1.00 0.30 H new ATOM 0 HA PHE A 577 -9.692 6.761 -14.619 1.00 0.31 H new ATOM 0 HB2 PHE A 577 -8.426 7.782 -13.055 1.00 0.33 H new ATOM 0 HB3 PHE A 577 -9.069 6.600 -11.932 1.00 0.33 H new ATOM 0 HD1 PHE A 577 -7.715 4.655 -11.252 1.00 0.54 H new ATOM 0 HD2 PHE A 577 -6.136 7.666 -13.816 1.00 0.53 H new ATOM 0 HE1 PHE A 577 -5.441 3.838 -10.807 1.00 0.67 H new ATOM 0 HE2 PHE A 577 -3.861 6.850 -13.377 1.00 0.67 H new ATOM 0 HZ PHE A 577 -3.510 4.938 -11.865 1.00 0.72 H new ATOM 73 N LEU A 578 -7.769 4.128 -14.333 1.00 0.23 N ATOM 74 CA LEU A 578 -6.803 3.279 -15.023 1.00 0.23 C ATOM 75 C LEU A 578 -7.399 1.917 -15.348 1.00 0.20 C ATOM 76 O LEU A 578 -8.165 1.358 -14.562 1.00 0.20 O ATOM 77 CB LEU A 578 -5.548 3.112 -14.167 1.00 0.25 C ATOM 78 CG LEU A 578 -4.457 2.223 -14.764 1.00 0.32 C ATOM 79 CD1 LEU A 578 -3.100 2.583 -14.178 1.00 0.73 C ATOM 80 CD2 LEU A 578 -4.774 0.755 -14.521 1.00 0.75 C ATOM 0 H LEU A 578 -8.062 3.774 -13.422 1.00 0.23 H new ATOM 0 HA LEU A 578 -6.537 3.763 -15.962 1.00 0.23 H new ATOM 0 HB2 LEU A 578 -5.125 4.098 -13.977 1.00 0.25 H new ATOM 0 HB3 LEU A 578 -5.840 2.699 -13.201 1.00 0.25 H new ATOM 0 HG LEU A 578 -4.422 2.392 -15.840 1.00 0.32 H new ATOM 0 HD11 LEU A 578 -2.334 1.941 -14.613 1.00 0.73 H new ATOM 0 HD12 LEU A 578 -2.871 3.625 -14.403 1.00 0.73 H new ATOM 0 HD13 LEU A 578 -3.121 2.441 -13.097 1.00 0.73 H new ATOM 0 HD21 LEU A 578 -3.987 0.137 -14.953 1.00 0.75 H new ATOM 0 HD22 LEU A 578 -4.835 0.569 -13.449 1.00 0.75 H new ATOM 0 HD23 LEU A 578 -5.727 0.507 -14.987 1.00 0.75 H new ATOM 92 N THR A 579 -7.047 1.391 -16.515 1.00 0.24 N ATOM 93 CA THR A 579 -7.549 0.096 -16.951 1.00 0.24 C ATOM 94 C THR A 579 -6.417 -0.890 -17.210 1.00 0.26 C ATOM 95 O THR A 579 -5.634 -0.722 -18.143 1.00 0.31 O ATOM 96 CB THR A 579 -8.393 0.221 -18.234 1.00 0.28 C ATOM 97 OG1 THR A 579 -9.381 1.246 -18.076 1.00 0.31 O ATOM 98 CG2 THR A 579 -9.075 -1.102 -18.564 1.00 0.30 C ATOM 0 H THR A 579 -6.415 1.843 -17.176 1.00 0.24 H new ATOM 0 HA THR A 579 -8.173 -0.278 -16.139 1.00 0.24 H new ATOM 0 HB THR A 579 -7.727 0.485 -19.055 1.00 0.28 H new ATOM 0 HG1 THR A 579 -9.911 1.319 -18.897 1.00 0.31 H new ATOM 0 HG21 THR A 579 -9.665 -0.990 -19.473 1.00 0.30 H new ATOM 0 HG22 THR A 579 -8.320 -1.873 -18.714 1.00 0.30 H new ATOM 0 HG23 THR A 579 -9.728 -1.390 -17.740 1.00 0.30 H new ATOM 106 N LEU A 580 -6.373 -1.945 -16.411 1.00 0.23 N ATOM 107 CA LEU A 580 -5.383 -2.993 -16.581 1.00 0.27 C ATOM 108 C LEU A 580 -6.062 -4.121 -17.323 1.00 0.26 C ATOM 109 O LEU A 580 -6.949 -4.775 -16.780 1.00 0.28 O ATOM 110 CB LEU A 580 -4.873 -3.485 -15.223 1.00 0.35 C ATOM 111 CG LEU A 580 -3.572 -2.841 -14.740 1.00 0.39 C ATOM 112 CD1 LEU A 580 -3.261 -3.277 -13.317 1.00 0.92 C ATOM 113 CD2 LEU A 580 -2.424 -3.199 -15.671 1.00 0.79 C ATOM 0 H LEU A 580 -7.016 -2.097 -15.634 1.00 0.23 H new ATOM 0 HA LEU A 580 -4.521 -2.620 -17.134 1.00 0.27 H new ATOM 0 HB2 LEU A 580 -5.647 -3.306 -14.476 1.00 0.35 H new ATOM 0 HB3 LEU A 580 -4.727 -4.564 -15.278 1.00 0.35 H new ATOM 0 HG LEU A 580 -3.697 -1.758 -14.749 1.00 0.39 H new ATOM 0 HD11 LEU A 580 -2.332 -2.810 -12.988 1.00 0.92 H new ATOM 0 HD12 LEU A 580 -4.074 -2.973 -12.657 1.00 0.92 H new ATOM 0 HD13 LEU A 580 -3.154 -4.361 -13.284 1.00 0.92 H new ATOM 0 HD21 LEU A 580 -1.506 -2.733 -15.313 1.00 0.79 H new ATOM 0 HD22 LEU A 580 -2.297 -4.281 -15.692 1.00 0.79 H new ATOM 0 HD23 LEU A 580 -2.645 -2.840 -16.676 1.00 0.79 H new ATOM 125 N LYS A 581 -5.698 -4.319 -18.577 1.00 0.27 N ATOM 126 CA LYS A 581 -6.361 -5.346 -19.368 1.00 0.31 C ATOM 127 C LYS A 581 -5.482 -6.552 -19.663 1.00 0.28 C ATOM 128 O LYS A 581 -4.691 -6.534 -20.606 1.00 0.32 O ATOM 129 CB LYS A 581 -6.859 -4.747 -20.684 1.00 0.36 C ATOM 130 CG LYS A 581 -5.845 -3.846 -21.370 1.00 0.62 C ATOM 131 CD LYS A 581 -6.335 -3.395 -22.736 1.00 0.80 C ATOM 132 CE LYS A 581 -7.303 -2.228 -22.624 1.00 1.10 C ATOM 133 NZ LYS A 581 -8.054 -2.005 -23.891 1.00 1.83 N ATOM 0 H LYS A 581 -4.967 -3.799 -19.062 1.00 0.27 H new ATOM 0 HA LYS A 581 -7.195 -5.705 -18.765 1.00 0.31 H new ATOM 0 HB2 LYS A 581 -7.129 -5.557 -21.362 1.00 0.36 H new ATOM 0 HB3 LYS A 581 -7.767 -4.176 -20.492 1.00 0.36 H new ATOM 0 HG2 LYS A 581 -5.651 -2.974 -20.746 1.00 0.62 H new ATOM 0 HG3 LYS A 581 -4.899 -4.377 -21.479 1.00 0.62 H new ATOM 0 HD2 LYS A 581 -5.483 -3.105 -23.351 1.00 0.80 H new ATOM 0 HD3 LYS A 581 -6.824 -4.228 -23.241 1.00 0.80 H new ATOM 0 HE2 LYS A 581 -8.007 -2.417 -21.813 1.00 1.10 H new ATOM 0 HE3 LYS A 581 -6.753 -1.324 -22.364 1.00 1.10 H new ATOM 0 HZ1 LYS A 581 -8.703 -1.201 -23.773 1.00 1.83 H new ATOM 0 HZ2 LYS A 581 -7.384 -1.800 -24.660 1.00 1.83 H new ATOM 0 HZ3 LYS A 581 -8.600 -2.859 -24.126 1.00 1.83 H new ATOM 147 N PRO A 582 -5.648 -7.648 -18.894 1.00 0.27 N ATOM 148 CA PRO A 582 -4.895 -8.868 -19.145 1.00 0.27 C ATOM 149 C PRO A 582 -5.081 -9.281 -20.601 1.00 0.26 C ATOM 150 O PRO A 582 -6.134 -9.778 -20.995 1.00 0.34 O ATOM 151 CB PRO A 582 -5.485 -9.916 -18.195 1.00 0.31 C ATOM 152 CG PRO A 582 -6.502 -9.220 -17.342 1.00 0.31 C ATOM 153 CD PRO A 582 -6.594 -7.772 -17.777 1.00 0.29 C ATOM 0 HA PRO A 582 -3.825 -8.746 -18.975 1.00 0.27 H new ATOM 0 HB2 PRO A 582 -5.946 -10.728 -18.757 1.00 0.31 H new ATOM 0 HB3 PRO A 582 -4.703 -10.359 -17.578 1.00 0.31 H new ATOM 0 HG2 PRO A 582 -7.473 -9.706 -17.440 1.00 0.31 H new ATOM 0 HG3 PRO A 582 -6.219 -9.281 -16.291 1.00 0.31 H new ATOM 0 HD2 PRO A 582 -7.607 -7.517 -18.088 1.00 0.29 H new ATOM 0 HD3 PRO A 582 -6.332 -7.098 -16.962 1.00 0.29 H new ATOM 161 N LEU A 583 -4.066 -8.998 -21.393 1.00 0.35 N ATOM 162 CA LEU A 583 -4.088 -9.251 -22.833 1.00 0.35 C ATOM 163 C LEU A 583 -3.881 -10.715 -23.226 1.00 0.37 C ATOM 164 O LEU A 583 -3.391 -11.537 -22.451 1.00 0.43 O ATOM 165 CB LEU A 583 -3.061 -8.365 -23.522 1.00 0.50 C ATOM 166 CG LEU A 583 -1.597 -8.736 -23.306 1.00 0.37 C ATOM 167 CD1 LEU A 583 -0.745 -7.506 -23.506 1.00 1.05 C ATOM 168 CD2 LEU A 583 -1.360 -9.325 -21.923 1.00 1.38 C ATOM 0 H LEU A 583 -3.195 -8.584 -21.061 1.00 0.35 H new ATOM 0 HA LEU A 583 -5.095 -9.005 -23.169 1.00 0.35 H new ATOM 0 HB2 LEU A 583 -3.263 -8.376 -24.593 1.00 0.50 H new ATOM 0 HB3 LEU A 583 -3.209 -7.340 -23.181 1.00 0.50 H new ATOM 0 HG LEU A 583 -1.323 -9.502 -24.031 1.00 0.37 H new ATOM 0 HD11 LEU A 583 0.304 -7.761 -23.354 1.00 1.05 H new ATOM 0 HD12 LEU A 583 -0.883 -7.129 -24.519 1.00 1.05 H new ATOM 0 HD13 LEU A 583 -1.040 -6.739 -22.790 1.00 1.05 H new ATOM 0 HD21 LEU A 583 -0.305 -9.576 -21.810 1.00 1.38 H new ATOM 0 HD22 LEU A 583 -1.643 -8.596 -21.164 1.00 1.38 H new ATOM 0 HD23 LEU A 583 -1.962 -10.226 -21.803 1.00 1.38 H new ATOM 180 N PRO A 584 -4.287 -11.036 -24.468 1.00 0.39 N ATOM 181 CA PRO A 584 -4.196 -12.383 -25.053 1.00 0.49 C ATOM 182 C PRO A 584 -2.811 -13.007 -24.930 1.00 0.58 C ATOM 183 O PRO A 584 -2.677 -14.231 -24.923 1.00 0.66 O ATOM 184 CB PRO A 584 -4.555 -12.150 -26.521 1.00 0.56 C ATOM 185 CG PRO A 584 -5.433 -10.949 -26.497 1.00 0.47 C ATOM 186 CD PRO A 584 -4.878 -10.074 -25.410 1.00 0.37 C ATOM 0 HA PRO A 584 -4.850 -13.087 -24.538 1.00 0.49 H new ATOM 0 HB2 PRO A 584 -3.665 -11.980 -27.126 1.00 0.56 H new ATOM 0 HB3 PRO A 584 -5.070 -13.011 -26.946 1.00 0.56 H new ATOM 0 HG2 PRO A 584 -5.424 -10.436 -27.458 1.00 0.47 H new ATOM 0 HG3 PRO A 584 -6.468 -11.222 -26.292 1.00 0.47 H new ATOM 0 HD2 PRO A 584 -4.132 -9.379 -25.795 1.00 0.37 H new ATOM 0 HD3 PRO A 584 -5.658 -9.476 -24.938 1.00 0.37 H new ATOM 194 N ASP A 585 -1.781 -12.175 -24.824 1.00 0.61 N ATOM 195 CA ASP A 585 -0.421 -12.686 -24.690 1.00 0.73 C ATOM 196 C ASP A 585 -0.305 -13.508 -23.412 1.00 0.71 C ATOM 197 O ASP A 585 0.561 -14.373 -23.286 1.00 0.82 O ATOM 198 CB ASP A 585 0.585 -11.534 -24.671 1.00 0.80 C ATOM 199 CG ASP A 585 0.618 -10.774 -25.982 1.00 1.09 C ATOM 200 OD1 ASP A 585 -0.389 -10.818 -26.719 1.00 1.57 O ATOM 201 OD2 ASP A 585 1.651 -10.134 -26.272 1.00 1.82 O ATOM 0 H ASP A 585 -1.858 -11.158 -24.828 1.00 0.61 H new ATOM 0 HA ASP A 585 -0.197 -13.322 -25.546 1.00 0.73 H new ATOM 0 HB2 ASP A 585 0.332 -10.848 -23.863 1.00 0.80 H new ATOM 0 HB3 ASP A 585 1.579 -11.927 -24.457 1.00 0.80 H new ATOM 206 N SER A 586 -1.209 -13.238 -22.476 1.00 0.59 N ATOM 207 CA SER A 586 -1.256 -13.947 -21.208 1.00 0.58 C ATOM 208 C SER A 586 -2.267 -15.077 -21.287 1.00 0.54 C ATOM 209 O SER A 586 -3.222 -15.000 -22.052 1.00 0.51 O ATOM 210 CB SER A 586 -1.633 -12.976 -20.091 1.00 0.54 C ATOM 211 OG SER A 586 -2.423 -13.603 -19.099 1.00 1.18 O ATOM 0 H SER A 586 -1.928 -12.522 -22.578 1.00 0.59 H new ATOM 0 HA SER A 586 -0.275 -14.370 -20.993 1.00 0.58 H new ATOM 0 HB2 SER A 586 -0.727 -12.575 -19.636 1.00 0.54 H new ATOM 0 HB3 SER A 586 -2.179 -12.131 -20.511 1.00 0.54 H new ATOM 0 HG SER A 586 -3.355 -13.313 -19.191 1.00 1.18 H new ATOM 217 N ILE A 587 -2.070 -16.121 -20.491 1.00 0.59 N ATOM 218 CA ILE A 587 -3.003 -17.242 -20.492 1.00 0.59 C ATOM 219 C ILE A 587 -4.402 -16.758 -20.111 1.00 0.47 C ATOM 220 O ILE A 587 -5.400 -17.421 -20.394 1.00 0.51 O ATOM 221 CB ILE A 587 -2.558 -18.381 -19.537 1.00 0.64 C ATOM 222 CG1 ILE A 587 -3.081 -18.150 -18.113 1.00 1.24 C ATOM 223 CG2 ILE A 587 -1.040 -18.514 -19.533 1.00 1.56 C ATOM 224 CD1 ILE A 587 -2.638 -19.205 -17.122 1.00 1.98 C ATOM 0 H ILE A 587 -1.286 -16.215 -19.846 1.00 0.59 H new ATOM 0 HA ILE A 587 -3.016 -17.652 -21.502 1.00 0.59 H new ATOM 0 HB ILE A 587 -2.988 -19.312 -19.905 1.00 0.64 H new ATOM 0 HG12 ILE A 587 -2.743 -17.174 -17.766 1.00 1.24 H new ATOM 0 HG13 ILE A 587 -4.170 -18.121 -18.136 1.00 1.24 H new ATOM 0 HG21 ILE A 587 -0.747 -19.318 -18.858 1.00 1.56 H new ATOM 0 HG22 ILE A 587 -0.692 -18.742 -20.541 1.00 1.56 H new ATOM 0 HG23 ILE A 587 -0.594 -17.578 -19.198 1.00 1.56 H new ATOM 0 HD11 ILE A 587 -3.046 -18.974 -16.138 1.00 1.98 H new ATOM 0 HD12 ILE A 587 -2.999 -20.182 -17.445 1.00 1.98 H new ATOM 0 HD13 ILE A 587 -1.549 -19.220 -17.069 1.00 1.98 H new ATOM 236 N ILE A 588 -4.460 -15.591 -19.467 1.00 0.39 N ATOM 237 CA ILE A 588 -5.731 -15.010 -19.046 1.00 0.31 C ATOM 238 C ILE A 588 -6.041 -13.729 -19.821 1.00 0.26 C ATOM 239 O ILE A 588 -5.202 -12.833 -19.922 1.00 0.35 O ATOM 240 CB ILE A 588 -5.745 -14.713 -17.526 1.00 0.39 C ATOM 241 CG1 ILE A 588 -7.168 -14.419 -17.054 1.00 1.07 C ATOM 242 CG2 ILE A 588 -4.820 -13.552 -17.176 1.00 0.87 C ATOM 243 CD1 ILE A 588 -7.275 -14.215 -15.558 1.00 1.38 C ATOM 0 H ILE A 588 -3.641 -15.032 -19.227 1.00 0.39 H new ATOM 0 HA ILE A 588 -6.502 -15.749 -19.264 1.00 0.31 H new ATOM 0 HB ILE A 588 -5.377 -15.600 -17.010 1.00 0.39 H new ATOM 0 HG12 ILE A 588 -7.534 -13.527 -17.562 1.00 1.07 H new ATOM 0 HG13 ILE A 588 -7.818 -15.243 -17.348 1.00 1.07 H new ATOM 0 HG21 ILE A 588 -4.854 -13.371 -16.102 1.00 0.87 H new ATOM 0 HG22 ILE A 588 -3.800 -13.798 -17.470 1.00 0.87 H new ATOM 0 HG23 ILE A 588 -5.144 -12.656 -17.706 1.00 0.87 H new ATOM 0 HD11 ILE A 588 -8.312 -14.010 -15.292 1.00 1.38 H new ATOM 0 HD12 ILE A 588 -6.939 -15.115 -15.043 1.00 1.38 H new ATOM 0 HD13 ILE A 588 -6.651 -13.372 -15.260 1.00 1.38 H new ATOM 255 N GLN A 589 -7.256 -13.645 -20.360 1.00 0.27 N ATOM 256 CA GLN A 589 -7.676 -12.466 -21.112 1.00 0.32 C ATOM 257 C GLN A 589 -8.869 -11.822 -20.446 1.00 0.32 C ATOM 258 O GLN A 589 -10.022 -12.071 -20.799 1.00 0.37 O ATOM 259 CB GLN A 589 -8.012 -12.827 -22.557 1.00 0.45 C ATOM 260 CG GLN A 589 -6.864 -13.486 -23.292 1.00 0.59 C ATOM 261 CD GLN A 589 -6.661 -14.926 -22.886 1.00 0.75 C ATOM 262 OE1 GLN A 589 -7.616 -15.643 -22.587 1.00 1.71 O ATOM 263 NE2 GLN A 589 -5.411 -15.356 -22.875 1.00 0.66 N ATOM 0 H GLN A 589 -7.964 -14.376 -20.290 1.00 0.27 H new ATOM 0 HA GLN A 589 -6.848 -11.758 -21.123 1.00 0.32 H new ATOM 0 HB2 GLN A 589 -8.872 -13.496 -22.566 1.00 0.45 H new ATOM 0 HB3 GLN A 589 -8.305 -11.923 -23.091 1.00 0.45 H new ATOM 0 HG2 GLN A 589 -7.050 -13.438 -24.365 1.00 0.59 H new ATOM 0 HG3 GLN A 589 -5.948 -12.927 -23.102 1.00 0.59 H new ATOM 0 HE21 GLN A 589 -4.652 -14.724 -23.131 1.00 0.66 H new ATOM 0 HE22 GLN A 589 -5.205 -16.319 -22.611 1.00 0.66 H new ATOM 272 N GLU A 590 -8.564 -10.994 -19.472 1.00 0.29 N ATOM 273 CA GLU A 590 -9.578 -10.284 -18.707 1.00 0.31 C ATOM 274 C GLU A 590 -9.286 -8.801 -18.724 1.00 0.29 C ATOM 275 O GLU A 590 -8.253 -8.389 -19.237 1.00 0.28 O ATOM 276 CB GLU A 590 -9.630 -10.798 -17.267 1.00 0.34 C ATOM 277 CG GLU A 590 -10.657 -11.897 -17.049 1.00 0.41 C ATOM 278 CD GLU A 590 -12.061 -11.463 -17.423 1.00 1.23 C ATOM 279 OE1 GLU A 590 -12.749 -10.874 -16.563 1.00 1.94 O ATOM 280 OE2 GLU A 590 -12.472 -11.712 -18.577 1.00 2.01 O ATOM 0 H GLU A 590 -7.607 -10.790 -19.184 1.00 0.29 H new ATOM 0 HA GLU A 590 -10.550 -10.463 -19.166 1.00 0.31 H new ATOM 0 HB2 GLU A 590 -8.645 -11.172 -16.988 1.00 0.34 H new ATOM 0 HB3 GLU A 590 -9.855 -9.965 -16.601 1.00 0.34 H new ATOM 0 HG2 GLU A 590 -10.381 -12.770 -17.640 1.00 0.41 H new ATOM 0 HG3 GLU A 590 -10.641 -12.202 -16.003 1.00 0.41 H new ATOM 287 N SER A 591 -10.179 -8.003 -18.158 1.00 0.31 N ATOM 288 CA SER A 591 -9.959 -6.565 -18.077 1.00 0.29 C ATOM 289 C SER A 591 -10.215 -6.081 -16.656 1.00 0.28 C ATOM 290 O SER A 591 -11.336 -6.155 -16.153 1.00 0.34 O ATOM 291 CB SER A 591 -10.827 -5.804 -19.070 1.00 0.34 C ATOM 292 OG SER A 591 -11.726 -6.669 -19.740 1.00 0.40 O ATOM 0 H SER A 591 -11.057 -8.323 -17.750 1.00 0.31 H new ATOM 0 HA SER A 591 -8.920 -6.367 -18.340 1.00 0.29 H new ATOM 0 HB2 SER A 591 -11.387 -5.029 -18.547 1.00 0.34 H new ATOM 0 HB3 SER A 591 -10.192 -5.301 -19.799 1.00 0.34 H new ATOM 0 HG SER A 591 -12.270 -6.151 -20.369 1.00 0.40 H new ATOM 298 N LEU A 592 -9.165 -5.585 -16.020 1.00 0.25 N ATOM 299 CA LEU A 592 -9.250 -5.081 -14.659 1.00 0.26 C ATOM 300 C LEU A 592 -9.018 -3.579 -14.671 1.00 0.24 C ATOM 301 O LEU A 592 -8.132 -3.103 -15.367 1.00 0.32 O ATOM 302 CB LEU A 592 -8.213 -5.780 -13.770 1.00 0.35 C ATOM 303 CG LEU A 592 -7.734 -7.152 -14.275 1.00 0.61 C ATOM 304 CD1 LEU A 592 -6.213 -7.212 -14.324 1.00 1.73 C ATOM 305 CD2 LEU A 592 -8.283 -8.267 -13.398 1.00 0.86 C ATOM 0 H LEU A 592 -8.234 -5.521 -16.431 1.00 0.25 H new ATOM 0 HA LEU A 592 -10.240 -5.289 -14.252 1.00 0.26 H new ATOM 0 HB2 LEU A 592 -7.347 -5.126 -13.667 1.00 0.35 H new ATOM 0 HB3 LEU A 592 -8.638 -5.906 -12.774 1.00 0.35 H new ATOM 0 HG LEU A 592 -8.113 -7.291 -15.288 1.00 0.61 H new ATOM 0 HD11 LEU A 592 -5.899 -8.192 -14.684 1.00 1.73 H new ATOM 0 HD12 LEU A 592 -5.840 -6.441 -14.998 1.00 1.73 H new ATOM 0 HD13 LEU A 592 -5.810 -7.046 -13.325 1.00 1.73 H new ATOM 0 HD21 LEU A 592 -7.933 -9.229 -13.771 1.00 0.86 H new ATOM 0 HD22 LEU A 592 -7.937 -8.128 -12.374 1.00 0.86 H new ATOM 0 HD23 LEU A 592 -9.373 -8.244 -13.420 1.00 0.86 H new ATOM 317 N GLU A 593 -9.822 -2.826 -13.935 1.00 0.23 N ATOM 318 CA GLU A 593 -9.674 -1.376 -13.927 1.00 0.25 C ATOM 319 C GLU A 593 -9.461 -0.812 -12.528 1.00 0.21 C ATOM 320 O GLU A 593 -10.255 -1.053 -11.619 1.00 0.26 O ATOM 321 CB GLU A 593 -10.901 -0.723 -14.562 1.00 0.38 C ATOM 322 CG GLU A 593 -11.259 -1.297 -15.923 1.00 0.57 C ATOM 323 CD GLU A 593 -12.645 -1.912 -15.953 1.00 0.84 C ATOM 324 OE1 GLU A 593 -13.120 -2.357 -14.887 1.00 1.60 O ATOM 325 OE2 GLU A 593 -13.255 -1.948 -17.042 1.00 1.53 O ATOM 0 H GLU A 593 -10.572 -3.186 -13.344 1.00 0.23 H new ATOM 0 HA GLU A 593 -8.781 -1.146 -14.508 1.00 0.25 H new ATOM 0 HB2 GLU A 593 -11.753 -0.840 -13.892 1.00 0.38 H new ATOM 0 HB3 GLU A 593 -10.721 0.347 -14.664 1.00 0.38 H new ATOM 0 HG2 GLU A 593 -11.200 -0.508 -16.672 1.00 0.57 H new ATOM 0 HG3 GLU A 593 -10.524 -2.054 -16.198 1.00 0.57 H new ATOM 332 N ILE A 594 -8.399 -0.023 -12.378 1.00 0.17 N ATOM 333 CA ILE A 594 -8.094 0.622 -11.114 1.00 0.17 C ATOM 334 C ILE A 594 -8.879 1.921 -11.020 1.00 0.18 C ATOM 335 O ILE A 594 -8.964 2.667 -11.995 1.00 0.27 O ATOM 336 CB ILE A 594 -6.589 0.926 -10.982 1.00 0.21 C ATOM 337 CG1 ILE A 594 -5.765 -0.320 -11.307 1.00 0.22 C ATOM 338 CG2 ILE A 594 -6.268 1.432 -9.583 1.00 0.25 C ATOM 339 CD1 ILE A 594 -4.315 -0.023 -11.619 1.00 0.35 C ATOM 0 H ILE A 594 -7.735 0.182 -13.124 1.00 0.17 H new ATOM 0 HA ILE A 594 -8.373 -0.055 -10.307 1.00 0.17 H new ATOM 0 HB ILE A 594 -6.328 1.707 -11.696 1.00 0.21 H new ATOM 0 HG12 ILE A 594 -5.813 -1.007 -10.462 1.00 0.22 H new ATOM 0 HG13 ILE A 594 -6.214 -0.830 -12.159 1.00 0.22 H new ATOM 0 HG21 ILE A 594 -5.201 1.642 -9.508 1.00 0.25 H new ATOM 0 HG22 ILE A 594 -6.832 2.344 -9.388 1.00 0.25 H new ATOM 0 HG23 ILE A 594 -6.541 0.673 -8.850 1.00 0.25 H new ATOM 0 HD11 ILE A 594 -3.792 -0.954 -11.840 1.00 0.35 H new ATOM 0 HD12 ILE A 594 -4.257 0.639 -12.483 1.00 0.35 H new ATOM 0 HD13 ILE A 594 -3.849 0.460 -10.760 1.00 0.35 H new ATOM 351 N GLN A 595 -9.470 2.190 -9.864 1.00 0.16 N ATOM 352 CA GLN A 595 -10.256 3.402 -9.702 1.00 0.17 C ATOM 353 C GLN A 595 -9.390 4.556 -9.221 1.00 0.16 C ATOM 354 O GLN A 595 -8.570 4.385 -8.319 1.00 0.16 O ATOM 355 CB GLN A 595 -11.399 3.168 -8.706 1.00 0.20 C ATOM 356 CG GLN A 595 -12.626 2.490 -9.299 1.00 0.65 C ATOM 357 CD GLN A 595 -12.296 1.560 -10.448 1.00 1.16 C ATOM 358 OE1 GLN A 595 -12.925 1.793 -11.590 1.00 1.92 O flip ATOM 359 NE2 GLN A 595 -11.487 0.644 -10.309 1.00 1.30 N flip ATOM 0 H GLN A 595 -9.421 1.595 -9.037 1.00 0.16 H new ATOM 0 HA GLN A 595 -10.672 3.661 -10.676 1.00 0.17 H new ATOM 0 HB2 GLN A 595 -11.027 2.560 -7.882 1.00 0.20 H new ATOM 0 HB3 GLN A 595 -11.698 4.128 -8.284 1.00 0.20 H new ATOM 0 HG2 GLN A 595 -13.135 1.925 -8.518 1.00 0.65 H new ATOM 0 HG3 GLN A 595 -13.323 3.253 -9.646 1.00 0.65 H new ATOM 0 HE21 GLN A 595 -11.026 0.502 -9.410 1.00 1.30 H new ATOM 0 HE22 GLN A 595 -11.277 0.026 -11.093 1.00 1.30 H new ATOM 368 N GLN A 596 -9.592 5.740 -9.801 1.00 0.20 N ATOM 369 CA GLN A 596 -8.835 6.918 -9.386 1.00 0.25 C ATOM 370 C GLN A 596 -8.880 7.025 -7.868 1.00 0.24 C ATOM 371 O GLN A 596 -7.955 7.528 -7.231 1.00 0.32 O ATOM 372 CB GLN A 596 -9.408 8.198 -10.011 1.00 0.30 C ATOM 373 CG GLN A 596 -10.805 8.547 -9.521 1.00 0.48 C ATOM 374 CD GLN A 596 -11.813 8.674 -10.644 1.00 0.61 C ATOM 375 OE1 GLN A 596 -11.718 7.790 -11.629 1.00 1.33 O flip ATOM 376 NE2 GLN A 596 -12.671 9.556 -10.626 1.00 0.42 N flip ATOM 0 H GLN A 596 -10.265 5.906 -10.550 1.00 0.20 H new ATOM 0 HA GLN A 596 -7.806 6.809 -9.728 1.00 0.25 H new ATOM 0 HB2 GLN A 596 -8.738 9.030 -9.793 1.00 0.30 H new ATOM 0 HB3 GLN A 596 -9.431 8.083 -11.095 1.00 0.30 H new ATOM 0 HG2 GLN A 596 -11.141 7.780 -8.824 1.00 0.48 H new ATOM 0 HG3 GLN A 596 -10.766 9.485 -8.968 1.00 0.48 H new ATOM 0 HE21 GLN A 596 -12.708 10.215 -9.849 1.00 0.42 H new ATOM 0 HE22 GLN A 596 -13.345 9.628 -11.388 1.00 0.42 H new ATOM 385 N GLY A 597 -9.981 6.533 -7.304 1.00 0.21 N ATOM 386 CA GLY A 597 -10.163 6.560 -5.872 1.00 0.25 C ATOM 387 C GLY A 597 -9.541 5.367 -5.170 1.00 0.23 C ATOM 388 O GLY A 597 -9.184 5.464 -3.996 1.00 0.27 O ATOM 0 H GLY A 597 -10.753 6.114 -7.823 1.00 0.21 H new ATOM 0 HA2 GLY A 597 -9.727 7.476 -5.474 1.00 0.25 H new ATOM 0 HA3 GLY A 597 -11.229 6.591 -5.648 1.00 0.25 H new ATOM 392 N VAL A 598 -9.407 4.230 -5.865 1.00 0.18 N ATOM 393 CA VAL A 598 -8.821 3.057 -5.233 1.00 0.18 C ATOM 394 C VAL A 598 -7.298 3.111 -5.288 1.00 0.16 C ATOM 395 O VAL A 598 -6.689 3.013 -6.354 1.00 0.15 O ATOM 396 CB VAL A 598 -9.321 1.752 -5.890 1.00 0.18 C ATOM 397 CG1 VAL A 598 -8.562 0.548 -5.353 1.00 0.20 C ATOM 398 CG2 VAL A 598 -10.815 1.585 -5.661 1.00 0.26 C ATOM 0 H VAL A 598 -9.689 4.105 -6.837 1.00 0.18 H new ATOM 0 HA VAL A 598 -9.138 3.061 -4.190 1.00 0.18 H new ATOM 0 HB VAL A 598 -9.137 1.817 -6.962 1.00 0.18 H new ATOM 0 HG11 VAL A 598 -8.933 -0.359 -5.831 1.00 0.20 H new ATOM 0 HG12 VAL A 598 -7.499 0.663 -5.567 1.00 0.20 H new ATOM 0 HG13 VAL A 598 -8.709 0.476 -4.275 1.00 0.20 H new ATOM 0 HG21 VAL A 598 -11.154 0.661 -6.130 1.00 0.26 H new ATOM 0 HG22 VAL A 598 -11.017 1.544 -4.591 1.00 0.26 H new ATOM 0 HG23 VAL A 598 -11.347 2.430 -6.099 1.00 0.26 H new ATOM 408 N ASN A 599 -6.702 3.240 -4.112 1.00 0.19 N ATOM 409 CA ASN A 599 -5.260 3.279 -3.956 1.00 0.21 C ATOM 410 C ASN A 599 -4.856 2.626 -2.629 1.00 0.24 C ATOM 411 O ASN A 599 -5.310 3.056 -1.569 1.00 0.27 O ATOM 412 CB ASN A 599 -4.767 4.729 -4.047 1.00 0.26 C ATOM 413 CG ASN A 599 -4.045 5.223 -2.812 1.00 0.64 C ATOM 414 OD1 ASN A 599 -4.616 5.287 -1.724 1.00 1.59 O ATOM 415 ND2 ASN A 599 -2.788 5.595 -2.979 1.00 0.30 N ATOM 0 H ASN A 599 -7.212 3.321 -3.233 1.00 0.19 H new ATOM 0 HA ASN A 599 -4.790 2.713 -4.760 1.00 0.21 H new ATOM 0 HB2 ASN A 599 -4.099 4.820 -4.904 1.00 0.26 H new ATOM 0 HB3 ASN A 599 -5.621 5.379 -4.238 1.00 0.26 H new ATOM 0 HD21 ASN A 599 -2.252 5.952 -2.188 1.00 0.30 H new ATOM 0 HD22 ASN A 599 -2.353 5.525 -3.899 1.00 0.30 H new ATOM 422 N PRO A 600 -3.998 1.599 -2.644 1.00 0.23 N ATOM 423 CA PRO A 600 -3.417 1.028 -3.847 1.00 0.20 C ATOM 424 C PRO A 600 -4.288 -0.099 -4.373 1.00 0.17 C ATOM 425 O PRO A 600 -5.103 -0.652 -3.634 1.00 0.18 O ATOM 426 CB PRO A 600 -2.096 0.479 -3.334 1.00 0.22 C ATOM 427 CG PRO A 600 -2.422 -0.011 -1.967 1.00 0.30 C ATOM 428 CD PRO A 600 -3.524 0.883 -1.443 1.00 0.27 C ATOM 0 HA PRO A 600 -3.313 1.739 -4.667 1.00 0.20 H new ATOM 0 HB2 PRO A 600 -1.723 -0.325 -3.969 1.00 0.22 H new ATOM 0 HB3 PRO A 600 -1.325 1.249 -3.310 1.00 0.22 H new ATOM 0 HG2 PRO A 600 -2.746 -1.051 -1.995 1.00 0.30 H new ATOM 0 HG3 PRO A 600 -1.546 0.033 -1.320 1.00 0.30 H new ATOM 0 HD2 PRO A 600 -4.323 0.304 -0.981 1.00 0.27 H new ATOM 0 HD3 PRO A 600 -3.153 1.574 -0.686 1.00 0.27 H new ATOM 436 N PHE A 601 -4.120 -0.453 -5.634 1.00 0.17 N ATOM 437 CA PHE A 601 -4.905 -1.528 -6.209 1.00 0.16 C ATOM 438 C PHE A 601 -4.171 -2.826 -5.962 1.00 0.16 C ATOM 439 O PHE A 601 -3.034 -3.003 -6.396 1.00 0.16 O ATOM 440 CB PHE A 601 -5.104 -1.317 -7.713 1.00 0.16 C ATOM 441 CG PHE A 601 -6.386 -1.893 -8.248 1.00 0.17 C ATOM 442 CD1 PHE A 601 -7.588 -1.244 -8.033 1.00 0.20 C ATOM 443 CD2 PHE A 601 -6.386 -3.069 -8.984 1.00 0.16 C ATOM 444 CE1 PHE A 601 -8.768 -1.749 -8.540 1.00 0.23 C ATOM 445 CE2 PHE A 601 -7.567 -3.581 -9.491 1.00 0.19 C ATOM 446 CZ PHE A 601 -8.757 -2.920 -9.270 1.00 0.22 C ATOM 0 H PHE A 601 -3.455 -0.017 -6.273 1.00 0.17 H new ATOM 0 HA PHE A 601 -5.891 -1.550 -5.745 1.00 0.16 H new ATOM 0 HB2 PHE A 601 -5.082 -0.248 -7.925 1.00 0.16 H new ATOM 0 HB3 PHE A 601 -4.266 -1.766 -8.246 1.00 0.16 H new ATOM 0 HD1 PHE A 601 -7.604 -0.329 -7.460 1.00 0.20 H new ATOM 0 HD2 PHE A 601 -5.456 -3.589 -9.163 1.00 0.16 H new ATOM 0 HE1 PHE A 601 -9.698 -1.229 -8.366 1.00 0.23 H new ATOM 0 HE2 PHE A 601 -7.557 -4.499 -10.060 1.00 0.19 H new ATOM 0 HZ PHE A 601 -9.679 -3.318 -9.668 1.00 0.22 H new ATOM 456 N PHE A 602 -4.811 -3.717 -5.222 1.00 0.17 N ATOM 457 CA PHE A 602 -4.194 -4.978 -4.874 1.00 0.18 C ATOM 458 C PHE A 602 -4.503 -6.028 -5.915 1.00 0.16 C ATOM 459 O PHE A 602 -5.637 -6.168 -6.366 1.00 0.18 O ATOM 460 CB PHE A 602 -4.664 -5.432 -3.491 1.00 0.24 C ATOM 461 CG PHE A 602 -4.480 -4.383 -2.432 1.00 0.17 C ATOM 462 CD1 PHE A 602 -3.249 -4.206 -1.820 1.00 0.36 C ATOM 463 CD2 PHE A 602 -5.535 -3.569 -2.054 1.00 0.42 C ATOM 464 CE1 PHE A 602 -3.075 -3.237 -0.851 1.00 0.42 C ATOM 465 CE2 PHE A 602 -5.368 -2.598 -1.085 1.00 0.40 C ATOM 466 CZ PHE A 602 -4.135 -2.432 -0.483 1.00 0.25 C ATOM 0 H PHE A 602 -5.753 -3.588 -4.854 1.00 0.17 H new ATOM 0 HA PHE A 602 -3.113 -4.840 -4.844 1.00 0.18 H new ATOM 0 HB2 PHE A 602 -5.718 -5.705 -3.544 1.00 0.24 H new ATOM 0 HB3 PHE A 602 -4.116 -6.329 -3.204 1.00 0.24 H new ATOM 0 HD1 PHE A 602 -2.417 -4.833 -2.104 1.00 0.36 H new ATOM 0 HD2 PHE A 602 -6.500 -3.695 -2.522 1.00 0.42 H new ATOM 0 HE1 PHE A 602 -2.111 -3.109 -0.382 1.00 0.42 H new ATOM 0 HE2 PHE A 602 -6.199 -1.970 -0.799 1.00 0.40 H new ATOM 0 HZ PHE A 602 -4.001 -1.674 0.274 1.00 0.25 H new ATOM 476 N ILE A 603 -3.459 -6.733 -6.319 1.00 0.16 N ATOM 477 CA ILE A 603 -3.570 -7.752 -7.343 1.00 0.15 C ATOM 478 C ILE A 603 -2.888 -9.047 -6.920 1.00 0.17 C ATOM 479 O ILE A 603 -1.807 -9.042 -6.335 1.00 0.21 O ATOM 480 CB ILE A 603 -2.933 -7.271 -8.660 1.00 0.17 C ATOM 481 CG1 ILE A 603 -3.282 -5.804 -8.945 1.00 0.26 C ATOM 482 CG2 ILE A 603 -3.374 -8.150 -9.804 1.00 0.18 C ATOM 483 CD1 ILE A 603 -2.090 -4.876 -8.928 1.00 0.51 C ATOM 0 H ILE A 603 -2.517 -6.614 -5.947 1.00 0.16 H new ATOM 0 HA ILE A 603 -4.634 -7.940 -7.490 1.00 0.15 H new ATOM 0 HB ILE A 603 -1.850 -7.342 -8.557 1.00 0.17 H new ATOM 0 HG12 ILE A 603 -3.767 -5.739 -9.919 1.00 0.26 H new ATOM 0 HG13 ILE A 603 -4.006 -5.463 -8.205 1.00 0.26 H new ATOM 0 HG21 ILE A 603 -2.917 -7.799 -10.729 1.00 0.18 H new ATOM 0 HG22 ILE A 603 -3.065 -9.178 -9.613 1.00 0.18 H new ATOM 0 HG23 ILE A 603 -4.459 -8.109 -9.897 1.00 0.18 H new ATOM 0 HD11 ILE A 603 -2.418 -3.858 -9.138 1.00 0.51 H new ATOM 0 HD12 ILE A 603 -1.617 -4.910 -7.947 1.00 0.51 H new ATOM 0 HD13 ILE A 603 -1.374 -5.190 -9.687 1.00 0.51 H new ATOM 495 N GLY A 604 -3.545 -10.147 -7.234 1.00 0.18 N ATOM 496 CA GLY A 604 -3.031 -11.462 -6.907 1.00 0.21 C ATOM 497 C GLY A 604 -4.022 -12.562 -7.215 1.00 0.22 C ATOM 498 O GLY A 604 -4.967 -12.358 -7.978 1.00 0.28 O ATOM 0 H GLY A 604 -4.442 -10.155 -7.719 1.00 0.18 H new ATOM 0 HA2 GLY A 604 -2.111 -11.639 -7.465 1.00 0.21 H new ATOM 0 HA3 GLY A 604 -2.773 -11.495 -5.849 1.00 0.21 H new ATOM 502 N ARG A 605 -3.809 -13.733 -6.627 1.00 0.23 N ATOM 503 CA ARG A 605 -4.697 -14.866 -6.855 1.00 0.26 C ATOM 504 C ARG A 605 -5.999 -14.686 -6.090 1.00 0.27 C ATOM 505 O ARG A 605 -7.081 -14.934 -6.622 1.00 0.31 O ATOM 506 CB ARG A 605 -4.017 -16.174 -6.441 1.00 0.29 C ATOM 507 CG ARG A 605 -4.909 -17.400 -6.577 1.00 0.89 C ATOM 508 CD ARG A 605 -4.677 -18.115 -7.897 1.00 0.44 C ATOM 509 NE ARG A 605 -4.970 -19.543 -7.804 1.00 0.83 N ATOM 510 CZ ARG A 605 -4.274 -20.396 -7.055 1.00 1.46 C ATOM 511 NH1 ARG A 605 -3.240 -19.970 -6.340 1.00 2.35 N ATOM 512 NH2 ARG A 605 -4.612 -21.678 -7.024 1.00 1.83 N ATOM 0 H ARG A 605 -3.033 -13.922 -5.992 1.00 0.23 H new ATOM 0 HA ARG A 605 -4.923 -14.914 -7.920 1.00 0.26 H new ATOM 0 HB2 ARG A 605 -3.124 -16.317 -7.049 1.00 0.29 H new ATOM 0 HB3 ARG A 605 -3.687 -16.089 -5.406 1.00 0.29 H new ATOM 0 HG2 ARG A 605 -4.715 -18.085 -5.752 1.00 0.89 H new ATOM 0 HG3 ARG A 605 -5.954 -17.100 -6.503 1.00 0.89 H new ATOM 0 HD2 ARG A 605 -5.303 -17.666 -8.668 1.00 0.44 H new ATOM 0 HD3 ARG A 605 -3.641 -17.977 -8.207 1.00 0.44 H new ATOM 0 HE ARG A 605 -5.754 -19.908 -8.345 1.00 0.83 H new ATOM 0 HH11 ARG A 605 -2.975 -18.985 -6.363 1.00 2.35 H new ATOM 0 HH12 ARG A 605 -2.710 -20.627 -5.768 1.00 2.35 H new ATOM 0 HH21 ARG A 605 -5.405 -22.010 -7.574 1.00 1.83 H new ATOM 0 HH22 ARG A 605 -4.079 -22.332 -6.451 1.00 1.83 H new ATOM 526 N SER A 606 -5.893 -14.243 -4.844 1.00 0.28 N ATOM 527 CA SER A 606 -7.067 -14.022 -4.022 1.00 0.30 C ATOM 528 C SER A 606 -7.832 -12.806 -4.521 1.00 0.28 C ATOM 529 O SER A 606 -7.300 -11.696 -4.545 1.00 0.29 O ATOM 530 CB SER A 606 -6.669 -13.836 -2.564 1.00 0.33 C ATOM 531 OG SER A 606 -7.304 -14.793 -1.735 1.00 0.99 O ATOM 0 H SER A 606 -5.007 -14.031 -4.385 1.00 0.28 H new ATOM 0 HA SER A 606 -7.713 -14.897 -4.093 1.00 0.30 H new ATOM 0 HB2 SER A 606 -5.587 -13.926 -2.465 1.00 0.33 H new ATOM 0 HB3 SER A 606 -6.937 -12.832 -2.236 1.00 0.33 H new ATOM 0 HG SER A 606 -7.030 -14.653 -0.805 1.00 0.99 H new ATOM 537 N GLU A 607 -9.083 -13.013 -4.921 1.00 0.28 N ATOM 538 CA GLU A 607 -9.908 -11.921 -5.419 1.00 0.29 C ATOM 539 C GLU A 607 -9.884 -10.740 -4.456 1.00 0.27 C ATOM 540 O GLU A 607 -10.156 -9.607 -4.855 1.00 0.28 O ATOM 541 CB GLU A 607 -11.347 -12.390 -5.647 1.00 0.36 C ATOM 542 CG GLU A 607 -12.050 -12.837 -4.376 1.00 1.20 C ATOM 543 CD GLU A 607 -13.555 -12.917 -4.541 1.00 1.59 C ATOM 544 OE1 GLU A 607 -14.097 -12.198 -5.406 1.00 2.26 O ATOM 545 OE2 GLU A 607 -14.192 -13.700 -3.805 1.00 2.06 O ATOM 0 H GLU A 607 -9.545 -13.923 -4.910 1.00 0.28 H new ATOM 0 HA GLU A 607 -9.494 -11.596 -6.373 1.00 0.29 H new ATOM 0 HB2 GLU A 607 -11.917 -11.579 -6.101 1.00 0.36 H new ATOM 0 HB3 GLU A 607 -11.343 -13.215 -6.359 1.00 0.36 H new ATOM 0 HG2 GLU A 607 -11.668 -13.813 -4.078 1.00 1.20 H new ATOM 0 HG3 GLU A 607 -11.813 -12.142 -3.570 1.00 1.20 H new ATOM 552 N ASP A 608 -9.523 -10.998 -3.193 1.00 0.27 N ATOM 553 CA ASP A 608 -9.428 -9.932 -2.201 1.00 0.28 C ATOM 554 C ASP A 608 -8.683 -8.751 -2.810 1.00 0.25 C ATOM 555 O ASP A 608 -8.948 -7.591 -2.490 1.00 0.26 O ATOM 556 CB ASP A 608 -8.703 -10.428 -0.949 1.00 0.31 C ATOM 557 CG ASP A 608 -9.663 -10.895 0.127 1.00 0.76 C ATOM 558 OD1 ASP A 608 -10.632 -10.163 0.418 1.00 1.57 O ATOM 559 OD2 ASP A 608 -9.445 -11.994 0.681 1.00 1.42 O ATOM 0 H ASP A 608 -9.295 -11.928 -2.841 1.00 0.27 H new ATOM 0 HA ASP A 608 -10.431 -9.620 -1.910 1.00 0.28 H new ATOM 0 HB2 ASP A 608 -8.037 -11.248 -1.219 1.00 0.31 H new ATOM 0 HB3 ASP A 608 -8.079 -9.627 -0.553 1.00 0.31 H new ATOM 564 N CYS A 609 -7.770 -9.071 -3.725 1.00 0.22 N ATOM 565 CA CYS A 609 -7.001 -8.072 -4.431 1.00 0.19 C ATOM 566 C CYS A 609 -7.905 -7.322 -5.395 1.00 0.19 C ATOM 567 O CYS A 609 -8.534 -7.932 -6.260 1.00 0.21 O ATOM 568 CB CYS A 609 -5.856 -8.747 -5.173 1.00 0.19 C ATOM 569 SG CYS A 609 -4.306 -8.735 -4.248 1.00 1.30 S ATOM 0 H CYS A 609 -7.550 -10.031 -3.991 1.00 0.22 H new ATOM 0 HA CYS A 609 -6.582 -7.356 -3.724 1.00 0.19 H new ATOM 0 HB2 CYS A 609 -6.132 -9.778 -5.394 1.00 0.19 H new ATOM 0 HB3 CYS A 609 -5.705 -8.246 -6.129 1.00 0.19 H new ATOM 0 HG CYS A 609 -4.103 -9.908 -3.726 1.00 1.30 H new ATOM 575 N ASN A 610 -7.978 -5.999 -5.239 1.00 0.18 N ATOM 576 CA ASN A 610 -8.820 -5.167 -6.102 1.00 0.20 C ATOM 577 C ASN A 610 -8.787 -5.673 -7.542 1.00 0.20 C ATOM 578 O ASN A 610 -9.783 -5.619 -8.264 1.00 0.23 O ATOM 579 CB ASN A 610 -8.373 -3.720 -6.035 1.00 0.20 C ATOM 580 CG ASN A 610 -9.511 -2.802 -5.689 1.00 0.29 C ATOM 581 OD1 ASN A 610 -10.381 -2.527 -6.516 1.00 1.28 O ATOM 582 ND2 ASN A 610 -9.518 -2.327 -4.464 1.00 1.02 N ATOM 0 H ASN A 610 -7.466 -5.481 -4.525 1.00 0.18 H new ATOM 0 HA ASN A 610 -9.848 -5.231 -5.745 1.00 0.20 H new ATOM 0 HB2 ASN A 610 -7.583 -3.617 -5.291 1.00 0.20 H new ATOM 0 HB3 ASN A 610 -7.947 -3.426 -6.994 1.00 0.20 H new ATOM 0 HD21 ASN A 610 -10.266 -1.702 -4.164 1.00 1.02 H new ATOM 0 HD22 ASN A 610 -8.775 -2.583 -3.813 1.00 1.02 H new ATOM 589 N CYS A 611 -7.633 -6.201 -7.925 1.00 0.18 N ATOM 590 CA CYS A 611 -7.429 -6.770 -9.247 1.00 0.19 C ATOM 591 C CYS A 611 -7.581 -8.283 -9.156 1.00 0.20 C ATOM 592 O CYS A 611 -7.229 -8.878 -8.137 1.00 0.20 O ATOM 593 CB CYS A 611 -6.048 -6.395 -9.765 1.00 0.20 C ATOM 594 SG CYS A 611 -5.991 -5.979 -11.520 1.00 0.50 S ATOM 0 H CYS A 611 -6.810 -6.246 -7.324 1.00 0.18 H new ATOM 0 HA CYS A 611 -8.169 -6.376 -9.944 1.00 0.19 H new ATOM 0 HB2 CYS A 611 -5.678 -5.545 -9.191 1.00 0.20 H new ATOM 0 HB3 CYS A 611 -5.367 -7.226 -9.580 1.00 0.20 H new ATOM 0 HG CYS A 611 -4.798 -6.210 -11.982 1.00 0.50 H new ATOM 600 N LYS A 612 -8.139 -8.909 -10.185 1.00 0.22 N ATOM 601 CA LYS A 612 -8.357 -10.359 -10.135 1.00 0.24 C ATOM 602 C LYS A 612 -7.601 -11.130 -11.215 1.00 0.28 C ATOM 603 O LYS A 612 -7.860 -10.976 -12.408 1.00 0.32 O ATOM 604 CB LYS A 612 -9.853 -10.673 -10.220 1.00 0.26 C ATOM 605 CG LYS A 612 -10.352 -11.531 -9.068 1.00 0.32 C ATOM 606 CD LYS A 612 -10.726 -12.931 -9.531 1.00 1.07 C ATOM 607 CE LYS A 612 -12.117 -12.963 -10.146 1.00 1.70 C ATOM 608 NZ LYS A 612 -12.092 -13.474 -11.545 1.00 2.58 N ATOM 0 H LYS A 612 -8.444 -8.455 -11.046 1.00 0.22 H new ATOM 0 HA LYS A 612 -7.956 -10.693 -9.178 1.00 0.24 H new ATOM 0 HB2 LYS A 612 -10.413 -9.738 -10.237 1.00 0.26 H new ATOM 0 HB3 LYS A 612 -10.057 -11.185 -11.161 1.00 0.26 H new ATOM 0 HG2 LYS A 612 -9.580 -11.595 -8.301 1.00 0.32 H new ATOM 0 HG3 LYS A 612 -11.219 -11.056 -8.609 1.00 0.32 H new ATOM 0 HD2 LYS A 612 -9.996 -13.281 -10.261 1.00 1.07 H new ATOM 0 HD3 LYS A 612 -10.685 -13.618 -8.686 1.00 1.07 H new ATOM 0 HE2 LYS A 612 -12.768 -13.594 -9.540 1.00 1.70 H new ATOM 0 HE3 LYS A 612 -12.543 -11.960 -10.133 1.00 1.70 H new ATOM 0 HZ1 LYS A 612 -13.058 -13.481 -11.929 1.00 2.58 H new ATOM 0 HZ2 LYS A 612 -11.491 -12.858 -12.129 1.00 2.58 H new ATOM 0 HZ3 LYS A 612 -11.709 -14.441 -11.555 1.00 2.58 H new ATOM 622 N ILE A 613 -6.681 -11.985 -10.767 1.00 0.29 N ATOM 623 CA ILE A 613 -5.892 -12.825 -11.660 1.00 0.34 C ATOM 624 C ILE A 613 -5.742 -14.218 -11.075 1.00 0.37 C ATOM 625 O ILE A 613 -5.051 -14.399 -10.073 1.00 0.39 O ATOM 626 CB ILE A 613 -4.498 -12.227 -11.920 1.00 0.36 C ATOM 627 CG1 ILE A 613 -4.630 -10.759 -12.325 1.00 0.39 C ATOM 628 CG2 ILE A 613 -3.772 -13.021 -12.997 1.00 0.41 C ATOM 629 CD1 ILE A 613 -5.379 -10.558 -13.624 1.00 0.70 C ATOM 0 H ILE A 613 -6.465 -12.112 -9.778 1.00 0.29 H new ATOM 0 HA ILE A 613 -6.423 -12.879 -12.610 1.00 0.34 H new ATOM 0 HB ILE A 613 -3.910 -12.284 -11.004 1.00 0.36 H new ATOM 0 HG12 ILE A 613 -5.142 -10.216 -11.531 1.00 0.39 H new ATOM 0 HG13 ILE A 613 -3.635 -10.325 -12.417 1.00 0.39 H new ATOM 0 HG21 ILE A 613 -2.788 -12.585 -13.169 1.00 0.41 H new ATOM 0 HG22 ILE A 613 -3.659 -14.055 -12.673 1.00 0.41 H new ATOM 0 HG23 ILE A 613 -4.348 -12.992 -13.922 1.00 0.41 H new ATOM 0 HD11 ILE A 613 -5.435 -9.493 -13.851 1.00 0.70 H new ATOM 0 HD12 ILE A 613 -4.855 -11.073 -14.429 1.00 0.70 H new ATOM 0 HD13 ILE A 613 -6.387 -10.963 -13.529 1.00 0.70 H new ATOM 641 N GLU A 614 -6.377 -15.208 -11.697 1.00 0.42 N ATOM 642 CA GLU A 614 -6.273 -16.556 -11.201 1.00 0.47 C ATOM 643 C GLU A 614 -5.091 -17.239 -11.851 1.00 0.44 C ATOM 644 O GLU A 614 -5.158 -17.738 -12.975 1.00 0.50 O ATOM 645 CB GLU A 614 -7.557 -17.337 -11.491 1.00 0.59 C ATOM 646 CG GLU A 614 -8.648 -17.119 -10.455 1.00 1.61 C ATOM 647 CD GLU A 614 -9.851 -18.015 -10.679 1.00 2.15 C ATOM 648 OE1 GLU A 614 -9.693 -19.251 -10.600 1.00 2.72 O ATOM 649 OE2 GLU A 614 -10.950 -17.481 -10.933 1.00 2.73 O ATOM 0 H GLU A 614 -6.956 -15.095 -12.529 1.00 0.42 H new ATOM 0 HA GLU A 614 -6.128 -16.527 -10.121 1.00 0.47 H new ATOM 0 HB2 GLU A 614 -7.935 -17.047 -12.471 1.00 0.59 H new ATOM 0 HB3 GLU A 614 -7.322 -18.400 -11.541 1.00 0.59 H new ATOM 0 HG2 GLU A 614 -8.242 -17.304 -9.460 1.00 1.61 H new ATOM 0 HG3 GLU A 614 -8.966 -16.077 -10.481 1.00 1.61 H new ATOM 656 N ASP A 615 -4.024 -17.265 -11.094 1.00 0.39 N ATOM 657 CA ASP A 615 -2.782 -17.890 -11.494 1.00 0.38 C ATOM 658 C ASP A 615 -2.267 -18.779 -10.371 1.00 0.39 C ATOM 659 O ASP A 615 -1.811 -18.288 -9.343 1.00 0.39 O ATOM 660 CB ASP A 615 -1.741 -16.832 -11.859 1.00 0.39 C ATOM 661 CG ASP A 615 -1.229 -16.994 -13.277 1.00 0.88 C ATOM 662 OD1 ASP A 615 -2.024 -16.802 -14.220 1.00 1.62 O ATOM 663 OD2 ASP A 615 -0.034 -17.315 -13.444 1.00 1.55 O ATOM 0 H ASP A 615 -3.990 -16.846 -10.165 1.00 0.39 H new ATOM 0 HA ASP A 615 -2.965 -18.504 -12.376 1.00 0.38 H new ATOM 0 HB2 ASP A 615 -2.178 -15.840 -11.744 1.00 0.39 H new ATOM 0 HB3 ASP A 615 -0.904 -16.894 -11.164 1.00 0.39 H new ATOM 668 N ASN A 616 -2.352 -20.078 -10.567 1.00 0.46 N ATOM 669 CA ASN A 616 -1.896 -21.043 -9.564 1.00 0.50 C ATOM 670 C ASN A 616 -0.598 -20.582 -8.888 1.00 0.47 C ATOM 671 O ASN A 616 -0.424 -20.749 -7.681 1.00 0.48 O ATOM 672 CB ASN A 616 -1.685 -22.414 -10.207 1.00 0.56 C ATOM 673 CG ASN A 616 -2.990 -23.149 -10.443 1.00 0.72 C ATOM 674 OD1 ASN A 616 -3.444 -23.919 -9.596 1.00 1.51 O ATOM 675 ND2 ASN A 616 -3.600 -22.916 -11.599 1.00 1.31 N ATOM 0 H ASN A 616 -2.733 -20.501 -11.413 1.00 0.46 H new ATOM 0 HA ASN A 616 -2.670 -21.115 -8.799 1.00 0.50 H new ATOM 0 HB2 ASN A 616 -1.164 -22.291 -11.156 1.00 0.56 H new ATOM 0 HB3 ASN A 616 -1.042 -23.018 -9.566 1.00 0.56 H new ATOM 0 HD21 ASN A 616 -4.481 -23.383 -11.814 1.00 1.31 H new ATOM 0 HD22 ASN A 616 -3.188 -22.270 -12.272 1.00 1.31 H new ATOM 682 N ARG A 617 0.306 -20.006 -9.678 1.00 0.45 N ATOM 683 CA ARG A 617 1.588 -19.522 -9.164 1.00 0.45 C ATOM 684 C ARG A 617 1.440 -18.181 -8.440 1.00 0.42 C ATOM 685 O ARG A 617 2.221 -17.858 -7.545 1.00 0.41 O ATOM 686 CB ARG A 617 2.592 -19.388 -10.311 1.00 0.49 C ATOM 687 CG ARG A 617 2.804 -20.678 -11.087 1.00 0.74 C ATOM 688 CD ARG A 617 3.333 -21.788 -10.193 1.00 0.88 C ATOM 689 NE ARG A 617 2.275 -22.699 -9.765 1.00 1.17 N ATOM 690 CZ ARG A 617 2.495 -23.927 -9.301 1.00 1.77 C ATOM 691 NH1 ARG A 617 3.734 -24.394 -9.199 1.00 2.39 N ATOM 692 NH2 ARG A 617 1.474 -24.691 -8.936 1.00 2.04 N ATOM 0 H ARG A 617 0.175 -19.862 -10.679 1.00 0.45 H new ATOM 0 HA ARG A 617 1.953 -20.251 -8.440 1.00 0.45 H new ATOM 0 HB2 ARG A 617 2.247 -18.614 -10.996 1.00 0.49 H new ATOM 0 HB3 ARG A 617 3.548 -19.054 -9.909 1.00 0.49 H new ATOM 0 HG2 ARG A 617 1.862 -20.991 -11.538 1.00 0.74 H new ATOM 0 HG3 ARG A 617 3.505 -20.502 -11.903 1.00 0.74 H new ATOM 0 HD2 ARG A 617 4.100 -22.349 -10.727 1.00 0.88 H new ATOM 0 HD3 ARG A 617 3.811 -21.350 -9.316 1.00 0.88 H new ATOM 0 HE ARG A 617 1.310 -22.375 -9.825 1.00 1.17 H new ATOM 0 HH11 ARG A 617 4.523 -23.811 -9.477 1.00 2.39 H new ATOM 0 HH12 ARG A 617 3.896 -25.336 -8.843 1.00 2.39 H new ATOM 0 HH21 ARG A 617 0.520 -24.337 -9.011 1.00 2.04 H new ATOM 0 HH22 ARG A 617 1.643 -25.632 -8.580 1.00 2.04 H new ATOM 706 N LEU A 618 0.436 -17.405 -8.836 1.00 0.42 N ATOM 707 CA LEU A 618 0.177 -16.097 -8.235 1.00 0.41 C ATOM 708 C LEU A 618 -0.083 -16.226 -6.732 1.00 0.37 C ATOM 709 O LEU A 618 -0.447 -17.296 -6.246 1.00 0.36 O ATOM 710 CB LEU A 618 -1.042 -15.450 -8.905 1.00 0.46 C ATOM 711 CG LEU A 618 -0.732 -14.303 -9.862 1.00 0.52 C ATOM 712 CD1 LEU A 618 0.224 -14.752 -10.954 1.00 1.27 C ATOM 713 CD2 LEU A 618 -2.015 -13.751 -10.464 1.00 1.31 C ATOM 0 H LEU A 618 -0.217 -17.660 -9.576 1.00 0.42 H new ATOM 0 HA LEU A 618 1.058 -15.474 -8.385 1.00 0.41 H new ATOM 0 HB2 LEU A 618 -1.586 -16.220 -9.452 1.00 0.46 H new ATOM 0 HB3 LEU A 618 -1.710 -15.081 -8.127 1.00 0.46 H new ATOM 0 HG LEU A 618 -0.247 -13.508 -9.296 1.00 0.52 H new ATOM 0 HD11 LEU A 618 0.430 -13.917 -11.624 1.00 1.27 H new ATOM 0 HD12 LEU A 618 1.156 -15.094 -10.504 1.00 1.27 H new ATOM 0 HD13 LEU A 618 -0.227 -15.568 -11.519 1.00 1.27 H new ATOM 0 HD21 LEU A 618 -1.776 -12.934 -11.144 1.00 1.31 H new ATOM 0 HD22 LEU A 618 -2.529 -14.541 -11.012 1.00 1.31 H new ATOM 0 HD23 LEU A 618 -2.662 -13.383 -9.668 1.00 1.31 H new ATOM 725 N SER A 619 0.098 -15.123 -6.006 1.00 0.38 N ATOM 726 CA SER A 619 -0.126 -15.108 -4.561 1.00 0.37 C ATOM 727 C SER A 619 -1.307 -14.205 -4.208 1.00 0.34 C ATOM 728 O SER A 619 -1.811 -13.472 -5.058 1.00 0.33 O ATOM 729 CB SER A 619 1.132 -14.629 -3.833 1.00 0.41 C ATOM 730 OG SER A 619 2.014 -15.707 -3.575 1.00 1.31 O ATOM 0 H SER A 619 0.399 -14.229 -6.395 1.00 0.38 H new ATOM 0 HA SER A 619 -0.356 -16.124 -4.241 1.00 0.37 H new ATOM 0 HB2 SER A 619 1.640 -13.876 -4.435 1.00 0.41 H new ATOM 0 HB3 SER A 619 0.853 -14.151 -2.894 1.00 0.41 H new ATOM 0 HG SER A 619 2.810 -15.374 -3.111 1.00 1.31 H new ATOM 736 N ARG A 620 -1.746 -14.258 -2.950 1.00 0.37 N ATOM 737 CA ARG A 620 -2.872 -13.438 -2.498 1.00 0.35 C ATOM 738 C ARG A 620 -2.664 -11.973 -2.870 1.00 0.33 C ATOM 739 O ARG A 620 -3.451 -11.397 -3.617 1.00 0.44 O ATOM 740 CB ARG A 620 -3.062 -13.571 -0.985 1.00 0.38 C ATOM 741 CG ARG A 620 -3.106 -15.013 -0.503 1.00 0.90 C ATOM 742 CD ARG A 620 -2.070 -15.275 0.579 1.00 1.51 C ATOM 743 NE ARG A 620 -2.669 -15.320 1.910 1.00 2.04 N ATOM 744 CZ ARG A 620 -2.068 -15.846 2.976 1.00 2.51 C ATOM 745 NH1 ARG A 620 -0.853 -16.369 2.871 1.00 3.30 N ATOM 746 NH2 ARG A 620 -2.683 -15.847 4.151 1.00 2.74 N ATOM 0 H ARG A 620 -1.342 -14.856 -2.229 1.00 0.37 H new ATOM 0 HA ARG A 620 -3.770 -13.798 -2.999 1.00 0.35 H new ATOM 0 HB2 ARG A 620 -2.249 -13.051 -0.478 1.00 0.38 H new ATOM 0 HB3 ARG A 620 -3.988 -13.072 -0.698 1.00 0.38 H new ATOM 0 HG2 ARG A 620 -4.100 -15.238 -0.117 1.00 0.90 H new ATOM 0 HG3 ARG A 620 -2.931 -15.684 -1.344 1.00 0.90 H new ATOM 0 HD2 ARG A 620 -1.565 -16.220 0.376 1.00 1.51 H new ATOM 0 HD3 ARG A 620 -1.310 -14.494 0.550 1.00 1.51 H new ATOM 0 HE ARG A 620 -3.602 -14.926 2.030 1.00 2.04 H new ATOM 0 HH11 ARG A 620 -0.374 -16.370 1.970 1.00 3.30 H new ATOM 0 HH12 ARG A 620 -0.398 -16.770 3.691 1.00 3.30 H new ATOM 0 HH21 ARG A 620 -3.616 -15.445 4.238 1.00 2.74 H new ATOM 0 HH22 ARG A 620 -2.223 -16.250 4.967 1.00 2.74 H new ATOM 760 N VAL A 621 -1.582 -11.389 -2.367 1.00 0.26 N ATOM 761 CA VAL A 621 -1.246 -10.005 -2.666 1.00 0.25 C ATOM 762 C VAL A 621 -0.079 -9.983 -3.633 1.00 0.22 C ATOM 763 O VAL A 621 0.863 -9.201 -3.503 1.00 0.24 O ATOM 764 CB VAL A 621 -0.893 -9.197 -1.407 1.00 0.32 C ATOM 765 CG1 VAL A 621 -0.750 -7.724 -1.755 1.00 0.49 C ATOM 766 CG2 VAL A 621 -1.954 -9.399 -0.334 1.00 0.65 C ATOM 0 H VAL A 621 -0.921 -11.857 -1.747 1.00 0.26 H new ATOM 0 HA VAL A 621 -2.125 -9.535 -3.108 1.00 0.25 H new ATOM 0 HB VAL A 621 0.060 -9.552 -1.014 1.00 0.32 H new ATOM 0 HG11 VAL A 621 -0.500 -7.160 -0.856 1.00 0.49 H new ATOM 0 HG12 VAL A 621 0.042 -7.600 -2.493 1.00 0.49 H new ATOM 0 HG13 VAL A 621 -1.690 -7.354 -2.165 1.00 0.49 H new ATOM 0 HG21 VAL A 621 -1.691 -8.821 0.552 1.00 0.65 H new ATOM 0 HG22 VAL A 621 -2.921 -9.065 -0.711 1.00 0.65 H new ATOM 0 HG23 VAL A 621 -2.011 -10.456 -0.073 1.00 0.65 H new ATOM 776 N HIS A 622 -0.178 -10.878 -4.604 1.00 0.20 N ATOM 777 CA HIS A 622 0.811 -11.057 -5.651 1.00 0.19 C ATOM 778 C HIS A 622 1.485 -9.758 -6.051 1.00 0.18 C ATOM 779 O HIS A 622 2.667 -9.730 -6.382 1.00 0.19 O ATOM 780 CB HIS A 622 0.102 -11.633 -6.855 1.00 0.18 C ATOM 781 CG HIS A 622 1.008 -12.072 -7.939 1.00 0.20 C ATOM 782 ND1 HIS A 622 1.974 -13.034 -7.772 1.00 0.22 N ATOM 783 CD2 HIS A 622 1.074 -11.676 -9.221 1.00 0.31 C ATOM 784 CE1 HIS A 622 2.603 -13.218 -8.914 1.00 0.23 C ATOM 785 NE2 HIS A 622 2.081 -12.402 -9.817 1.00 0.30 N ATOM 0 H HIS A 622 -0.970 -11.516 -4.686 1.00 0.20 H new ATOM 0 HA HIS A 622 1.592 -11.719 -5.276 1.00 0.19 H new ATOM 0 HB2 HIS A 622 -0.502 -12.482 -6.535 1.00 0.18 H new ATOM 0 HB3 HIS A 622 -0.584 -10.885 -7.251 1.00 0.18 H new ATOM 0 HD1 HIS A 622 2.173 -13.527 -6.902 1.00 0.22 H new ATOM 0 HD2 HIS A 622 0.454 -10.929 -9.695 1.00 0.31 H new ATOM 0 HE1 HIS A 622 3.409 -13.917 -9.085 1.00 0.23 H new ATOM 794 N CYS A 623 0.717 -8.689 -6.040 1.00 0.16 N ATOM 795 CA CYS A 623 1.231 -7.383 -6.418 1.00 0.16 C ATOM 796 C CYS A 623 0.116 -6.366 -6.417 1.00 0.20 C ATOM 797 O CYS A 623 -1.036 -6.697 -6.677 1.00 0.36 O ATOM 798 CB CYS A 623 1.882 -7.432 -7.802 1.00 0.19 C ATOM 799 SG CYS A 623 0.983 -8.427 -9.013 1.00 0.26 S ATOM 0 H CYS A 623 -0.268 -8.695 -5.773 1.00 0.16 H new ATOM 0 HA CYS A 623 1.987 -7.092 -5.689 1.00 0.16 H new ATOM 0 HB2 CYS A 623 1.975 -6.415 -8.183 1.00 0.19 H new ATOM 0 HB3 CYS A 623 2.892 -7.829 -7.701 1.00 0.19 H new ATOM 0 HG CYS A 623 1.830 -9.034 -9.791 1.00 0.26 H new ATOM 805 N PHE A 624 0.460 -5.130 -6.126 1.00 0.17 N ATOM 806 CA PHE A 624 -0.522 -4.068 -6.097 1.00 0.26 C ATOM 807 C PHE A 624 0.040 -2.803 -6.699 1.00 0.17 C ATOM 808 O PHE A 624 1.234 -2.530 -6.602 1.00 0.24 O ATOM 809 CB PHE A 624 -0.965 -3.784 -4.665 1.00 0.49 C ATOM 810 CG PHE A 624 0.174 -3.476 -3.752 1.00 0.19 C ATOM 811 CD1 PHE A 624 0.630 -2.179 -3.580 1.00 0.34 C ATOM 812 CD2 PHE A 624 0.795 -4.501 -3.074 1.00 0.39 C ATOM 813 CE1 PHE A 624 1.692 -1.921 -2.737 1.00 0.62 C ATOM 814 CE2 PHE A 624 1.856 -4.255 -2.233 1.00 0.76 C ATOM 815 CZ PHE A 624 2.308 -2.961 -2.062 1.00 0.86 C ATOM 0 H PHE A 624 1.412 -4.836 -5.906 1.00 0.17 H new ATOM 0 HA PHE A 624 -1.380 -4.395 -6.684 1.00 0.26 H new ATOM 0 HB2 PHE A 624 -1.660 -2.944 -4.665 1.00 0.49 H new ATOM 0 HB3 PHE A 624 -1.508 -4.647 -4.281 1.00 0.49 H new ATOM 0 HD1 PHE A 624 0.153 -1.367 -4.108 1.00 0.34 H new ATOM 0 HD2 PHE A 624 0.444 -5.514 -3.204 1.00 0.39 H new ATOM 0 HE1 PHE A 624 2.042 -0.908 -2.604 1.00 0.62 H new ATOM 0 HE2 PHE A 624 2.333 -5.070 -1.709 1.00 0.76 H new ATOM 0 HZ PHE A 624 3.140 -2.761 -1.403 1.00 0.86 H new ATOM 825 N ILE A 625 -0.839 -2.016 -7.279 1.00 0.21 N ATOM 826 CA ILE A 625 -0.446 -0.751 -7.855 1.00 0.17 C ATOM 827 C ILE A 625 -0.830 0.333 -6.874 1.00 0.16 C ATOM 828 O ILE A 625 -1.984 0.436 -6.466 1.00 0.17 O ATOM 829 CB ILE A 625 -1.122 -0.503 -9.215 1.00 0.21 C ATOM 830 CG1 ILE A 625 -0.634 -1.527 -10.242 1.00 0.24 C ATOM 831 CG2 ILE A 625 -0.853 0.913 -9.705 1.00 0.22 C ATOM 832 CD1 ILE A 625 -1.386 -1.470 -11.554 1.00 0.59 C ATOM 0 H ILE A 625 -1.832 -2.231 -7.364 1.00 0.21 H new ATOM 0 HA ILE A 625 0.629 -0.754 -8.038 1.00 0.17 H new ATOM 0 HB ILE A 625 -2.199 -0.618 -9.089 1.00 0.21 H new ATOM 0 HG12 ILE A 625 0.426 -1.362 -10.432 1.00 0.24 H new ATOM 0 HG13 ILE A 625 -0.730 -2.527 -9.820 1.00 0.24 H new ATOM 0 HG21 ILE A 625 -1.341 1.064 -10.668 1.00 0.22 H new ATOM 0 HG22 ILE A 625 -1.246 1.629 -8.983 1.00 0.22 H new ATOM 0 HG23 ILE A 625 0.221 1.062 -9.816 1.00 0.22 H new ATOM 0 HD11 ILE A 625 -0.988 -2.223 -12.235 1.00 0.59 H new ATOM 0 HD12 ILE A 625 -2.444 -1.665 -11.376 1.00 0.59 H new ATOM 0 HD13 ILE A 625 -1.269 -0.481 -11.998 1.00 0.59 H new ATOM 844 N PHE A 626 0.143 1.120 -6.474 1.00 0.17 N ATOM 845 CA PHE A 626 -0.098 2.166 -5.513 1.00 0.18 C ATOM 846 C PHE A 626 0.009 3.515 -6.192 1.00 0.19 C ATOM 847 O PHE A 626 0.718 3.671 -7.182 1.00 0.19 O ATOM 848 CB PHE A 626 0.902 2.070 -4.365 1.00 0.21 C ATOM 849 CG PHE A 626 1.152 3.367 -3.653 1.00 0.24 C ATOM 850 CD1 PHE A 626 0.180 3.935 -2.846 1.00 0.26 C ATOM 851 CD2 PHE A 626 2.364 4.017 -3.799 1.00 0.25 C ATOM 852 CE1 PHE A 626 0.415 5.131 -2.200 1.00 0.29 C ATOM 853 CE2 PHE A 626 2.606 5.211 -3.155 1.00 0.28 C ATOM 854 CZ PHE A 626 1.630 5.770 -2.355 1.00 0.29 C ATOM 0 H PHE A 626 1.107 1.054 -6.800 1.00 0.17 H new ATOM 0 HA PHE A 626 -1.102 2.051 -5.105 1.00 0.18 H new ATOM 0 HB2 PHE A 626 0.540 1.337 -3.644 1.00 0.21 H new ATOM 0 HB3 PHE A 626 1.848 1.694 -4.754 1.00 0.21 H new ATOM 0 HD1 PHE A 626 -0.770 3.437 -2.721 1.00 0.26 H new ATOM 0 HD2 PHE A 626 3.130 3.584 -4.425 1.00 0.25 H new ATOM 0 HE1 PHE A 626 -0.350 5.567 -1.574 1.00 0.29 H new ATOM 0 HE2 PHE A 626 3.557 5.708 -3.276 1.00 0.28 H new ATOM 0 HZ PHE A 626 1.816 6.707 -1.850 1.00 0.29 H new ATOM 864 N LYS A 627 -0.701 4.479 -5.658 1.00 0.19 N ATOM 865 CA LYS A 627 -0.694 5.822 -6.214 1.00 0.21 C ATOM 866 C LYS A 627 -0.162 6.821 -5.194 1.00 0.23 C ATOM 867 O LYS A 627 -0.605 6.856 -4.046 1.00 0.26 O ATOM 868 CB LYS A 627 -2.091 6.196 -6.701 1.00 0.22 C ATOM 869 CG LYS A 627 -2.422 7.680 -6.611 1.00 0.30 C ATOM 870 CD LYS A 627 -3.867 7.953 -6.999 1.00 0.67 C ATOM 871 CE LYS A 627 -4.186 7.413 -8.385 1.00 0.63 C ATOM 872 NZ LYS A 627 -4.912 8.410 -9.216 1.00 1.06 N ATOM 0 H LYS A 627 -1.295 4.364 -4.837 1.00 0.19 H new ATOM 0 HA LYS A 627 -0.024 5.849 -7.073 1.00 0.21 H new ATOM 0 HB2 LYS A 627 -2.197 5.877 -7.738 1.00 0.22 H new ATOM 0 HB3 LYS A 627 -2.825 5.638 -6.119 1.00 0.22 H new ATOM 0 HG2 LYS A 627 -2.244 8.033 -5.595 1.00 0.30 H new ATOM 0 HG3 LYS A 627 -1.756 8.243 -7.265 1.00 0.30 H new ATOM 0 HD2 LYS A 627 -4.533 7.496 -6.267 1.00 0.67 H new ATOM 0 HD3 LYS A 627 -4.055 9.026 -6.974 1.00 0.67 H new ATOM 0 HE2 LYS A 627 -3.260 7.129 -8.885 1.00 0.63 H new ATOM 0 HE3 LYS A 627 -4.789 6.510 -8.293 1.00 0.63 H new ATOM 0 HZ1 LYS A 627 -5.874 8.066 -9.409 1.00 1.06 H new ATOM 0 HZ2 LYS A 627 -4.963 9.315 -8.707 1.00 1.06 H new ATOM 0 HZ3 LYS A 627 -4.407 8.547 -10.115 1.00 1.06 H new ATOM 886 N LYS A 628 0.802 7.618 -5.627 1.00 0.25 N ATOM 887 CA LYS A 628 1.426 8.614 -4.766 1.00 0.28 C ATOM 888 C LYS A 628 1.451 9.976 -5.436 1.00 0.30 C ATOM 889 O LYS A 628 1.361 10.076 -6.656 1.00 0.30 O ATOM 890 CB LYS A 628 2.839 8.193 -4.394 1.00 0.30 C ATOM 891 CG LYS A 628 3.156 8.390 -2.921 1.00 0.34 C ATOM 892 CD LYS A 628 4.096 9.565 -2.703 1.00 0.38 C ATOM 893 CE LYS A 628 5.504 9.099 -2.363 1.00 1.13 C ATOM 894 NZ LYS A 628 5.698 8.945 -0.895 1.00 1.71 N ATOM 0 H LYS A 628 1.173 7.595 -6.577 1.00 0.25 H new ATOM 0 HA LYS A 628 0.829 8.687 -3.857 1.00 0.28 H new ATOM 0 HB2 LYS A 628 2.977 7.143 -4.651 1.00 0.30 H new ATOM 0 HB3 LYS A 628 3.550 8.764 -4.991 1.00 0.30 H new ATOM 0 HG2 LYS A 628 2.231 8.556 -2.368 1.00 0.34 H new ATOM 0 HG3 LYS A 628 3.608 7.482 -2.521 1.00 0.34 H new ATOM 0 HD2 LYS A 628 4.123 10.182 -3.601 1.00 0.38 H new ATOM 0 HD3 LYS A 628 3.715 10.192 -1.897 1.00 0.38 H new ATOM 0 HE2 LYS A 628 5.701 8.148 -2.857 1.00 1.13 H new ATOM 0 HE3 LYS A 628 6.227 9.816 -2.752 1.00 1.13 H new ATOM 0 HZ1 LYS A 628 6.670 8.626 -0.705 1.00 1.71 H new ATOM 0 HZ2 LYS A 628 5.535 9.859 -0.426 1.00 1.71 H new ATOM 0 HZ3 LYS A 628 5.025 8.242 -0.528 1.00 1.71 H new ATOM 908 N ARG A 629 1.571 11.025 -4.635 1.00 0.34 N ATOM 909 CA ARG A 629 1.604 12.374 -5.173 1.00 0.38 C ATOM 910 C ARG A 629 2.978 12.660 -5.777 1.00 0.41 C ATOM 911 O ARG A 629 3.992 12.657 -5.079 1.00 0.46 O ATOM 912 CB ARG A 629 1.234 13.397 -4.079 1.00 0.42 C ATOM 913 CG ARG A 629 2.342 14.372 -3.693 1.00 0.63 C ATOM 914 CD ARG A 629 2.618 15.384 -4.796 1.00 1.05 C ATOM 915 NE ARG A 629 2.746 16.742 -4.274 1.00 1.25 N ATOM 916 CZ ARG A 629 3.733 17.139 -3.473 1.00 1.67 C ATOM 917 NH1 ARG A 629 4.680 16.285 -3.104 1.00 2.39 N ATOM 918 NH2 ARG A 629 3.774 18.391 -3.042 1.00 1.79 N ATOM 0 H ARG A 629 1.646 10.968 -3.619 1.00 0.34 H new ATOM 0 HA ARG A 629 0.864 12.465 -5.968 1.00 0.38 H new ATOM 0 HB2 ARG A 629 0.371 13.970 -4.418 1.00 0.42 H new ATOM 0 HB3 ARG A 629 0.925 12.853 -3.186 1.00 0.42 H new ATOM 0 HG2 ARG A 629 2.061 14.898 -2.780 1.00 0.63 H new ATOM 0 HG3 ARG A 629 3.254 13.817 -3.473 1.00 0.63 H new ATOM 0 HD2 ARG A 629 3.534 15.109 -5.319 1.00 1.05 H new ATOM 0 HD3 ARG A 629 1.811 15.352 -5.528 1.00 1.05 H new ATOM 0 HE ARG A 629 2.038 17.427 -4.539 1.00 1.25 H new ATOM 0 HH11 ARG A 629 4.654 15.320 -3.434 1.00 2.39 H new ATOM 0 HH12 ARG A 629 5.434 16.594 -2.490 1.00 2.39 H new ATOM 0 HH21 ARG A 629 3.049 19.051 -3.324 1.00 1.79 H new ATOM 0 HH22 ARG A 629 4.530 18.695 -2.428 1.00 1.79 H new ATOM 932 N HIS A 630 3.000 12.885 -7.088 1.00 0.45 N ATOM 933 CA HIS A 630 4.241 13.151 -7.796 1.00 0.49 C ATOM 934 C HIS A 630 4.911 14.411 -7.275 1.00 0.55 C ATOM 935 O HIS A 630 4.331 15.496 -7.291 1.00 0.64 O ATOM 936 CB HIS A 630 3.986 13.283 -9.287 1.00 0.61 C ATOM 937 CG HIS A 630 5.225 13.158 -10.116 1.00 0.58 C ATOM 938 ND1 HIS A 630 5.419 12.151 -11.036 1.00 0.81 N ATOM 939 CD2 HIS A 630 6.341 13.925 -10.158 1.00 0.79 C ATOM 940 CE1 HIS A 630 6.601 12.301 -11.608 1.00 0.89 C ATOM 941 NE2 HIS A 630 7.179 13.369 -11.093 1.00 0.92 N ATOM 0 H HIS A 630 2.169 12.888 -7.679 1.00 0.45 H new ATOM 0 HA HIS A 630 4.909 12.308 -7.621 1.00 0.49 H new ATOM 0 HB2 HIS A 630 3.273 12.518 -9.595 1.00 0.61 H new ATOM 0 HB3 HIS A 630 3.522 14.249 -9.484 1.00 0.61 H new ATOM 0 HD2 HIS A 630 6.535 14.808 -9.567 1.00 0.79 H new ATOM 0 HE1 HIS A 630 7.022 11.659 -12.367 1.00 0.89 H new ATOM 0 HE2 HIS A 630 8.100 13.725 -11.348 1.00 0.92 H new ATOM 950 N ALA A 631 6.142 14.251 -6.816 1.00 0.62 N ATOM 951 CA ALA A 631 6.914 15.367 -6.282 1.00 0.76 C ATOM 952 C ALA A 631 7.927 15.874 -7.301 1.00 0.80 C ATOM 953 O ALA A 631 8.853 15.158 -7.682 1.00 1.21 O ATOM 954 CB ALA A 631 7.617 14.953 -4.999 1.00 1.22 C ATOM 0 H ALA A 631 6.632 13.356 -6.802 1.00 0.62 H new ATOM 0 HA ALA A 631 6.224 16.181 -6.061 1.00 0.76 H new ATOM 0 HB1 ALA A 631 8.190 15.795 -4.610 1.00 1.22 H new ATOM 0 HB2 ALA A 631 6.876 14.646 -4.261 1.00 1.22 H new ATOM 0 HB3 ALA A 631 8.290 14.120 -5.205 1.00 1.22 H new ATOM 1128 N LEU A 644 1.332 16.546 -8.463 1.00 0.51 N ATOM 1129 CA LEU A 644 0.096 15.808 -8.675 1.00 0.41 C ATOM 1130 C LEU A 644 0.258 14.364 -8.204 1.00 0.38 C ATOM 1131 O LEU A 644 0.908 14.129 -7.190 1.00 0.38 O ATOM 1132 CB LEU A 644 -0.321 15.913 -10.143 1.00 0.45 C ATOM 1133 CG LEU A 644 -0.773 17.316 -10.557 1.00 0.60 C ATOM 1134 CD1 LEU A 644 -1.011 17.390 -12.052 1.00 0.89 C ATOM 1135 CD2 LEU A 644 -2.029 17.710 -9.797 1.00 1.39 C ATOM 0 HA LEU A 644 -0.707 16.243 -8.080 1.00 0.41 H new ATOM 0 HB2 LEU A 644 0.517 15.611 -10.772 1.00 0.45 H new ATOM 0 HB3 LEU A 644 -1.132 15.209 -10.332 1.00 0.45 H new ATOM 0 HG LEU A 644 0.022 18.019 -10.307 1.00 0.60 H new ATOM 0 HD11 LEU A 644 -1.331 18.397 -12.320 1.00 0.89 H new ATOM 0 HD12 LEU A 644 -0.088 17.150 -12.580 1.00 0.89 H new ATOM 0 HD13 LEU A 644 -1.785 16.676 -12.333 1.00 0.89 H new ATOM 0 HD21 LEU A 644 -2.340 18.710 -10.101 1.00 1.39 H new ATOM 0 HD22 LEU A 644 -2.826 17.000 -10.018 1.00 1.39 H new ATOM 0 HD23 LEU A 644 -1.824 17.704 -8.727 1.00 1.39 H new ATOM 1147 N ASP A 645 -0.345 13.404 -8.898 1.00 0.41 N ATOM 1148 CA ASP A 645 -0.249 12.003 -8.472 1.00 0.41 C ATOM 1149 C ASP A 645 0.329 11.081 -9.545 1.00 0.40 C ATOM 1150 O ASP A 645 -0.048 11.147 -10.714 1.00 0.53 O ATOM 1151 CB ASP A 645 -1.621 11.480 -8.038 1.00 0.51 C ATOM 1152 CG ASP A 645 -2.461 12.536 -7.344 1.00 0.90 C ATOM 1153 OD1 ASP A 645 -1.912 13.266 -6.492 1.00 1.44 O ATOM 1154 OD2 ASP A 645 -3.667 12.633 -7.653 1.00 1.62 O ATOM 0 H ASP A 645 -0.896 13.560 -9.742 1.00 0.41 H new ATOM 0 HA ASP A 645 0.443 11.991 -7.630 1.00 0.41 H new ATOM 0 HB2 ASP A 645 -2.158 11.112 -8.913 1.00 0.51 H new ATOM 0 HB3 ASP A 645 -1.486 10.632 -7.367 1.00 0.51 H new ATOM 1159 N ASP A 646 1.232 10.198 -9.113 1.00 0.32 N ATOM 1160 CA ASP A 646 1.861 9.217 -9.993 1.00 0.31 C ATOM 1161 C ASP A 646 1.527 7.798 -9.519 1.00 0.29 C ATOM 1162 O ASP A 646 1.628 7.500 -8.329 1.00 0.36 O ATOM 1163 CB ASP A 646 3.379 9.412 -10.004 1.00 0.34 C ATOM 1164 CG ASP A 646 4.001 9.068 -11.344 1.00 0.51 C ATOM 1165 OD1 ASP A 646 3.279 8.541 -12.216 1.00 1.14 O ATOM 1166 OD2 ASP A 646 5.209 9.328 -11.521 1.00 1.27 O ATOM 0 H ASP A 646 1.546 10.145 -8.144 1.00 0.32 H new ATOM 0 HA ASP A 646 1.478 9.358 -11.004 1.00 0.31 H new ATOM 0 HB2 ASP A 646 3.610 10.448 -9.755 1.00 0.34 H new ATOM 0 HB3 ASP A 646 3.827 8.790 -9.229 1.00 0.34 H new ATOM 1171 N ILE A 647 1.123 6.927 -10.444 1.00 0.26 N ATOM 1172 CA ILE A 647 0.774 5.551 -10.087 1.00 0.23 C ATOM 1173 C ILE A 647 1.970 4.618 -10.192 1.00 0.23 C ATOM 1174 O ILE A 647 2.586 4.477 -11.249 1.00 0.25 O ATOM 1175 CB ILE A 647 -0.382 5.004 -10.946 1.00 0.23 C ATOM 1176 CG1 ILE A 647 -0.092 5.181 -12.443 1.00 0.24 C ATOM 1177 CG2 ILE A 647 -1.679 5.698 -10.558 1.00 0.25 C ATOM 1178 CD1 ILE A 647 -0.690 4.089 -13.314 1.00 0.23 C ATOM 0 H ILE A 647 1.030 7.146 -11.436 1.00 0.26 H new ATOM 0 HA ILE A 647 0.446 5.585 -9.048 1.00 0.23 H new ATOM 0 HB ILE A 647 -0.482 3.935 -10.758 1.00 0.23 H new ATOM 0 HG12 ILE A 647 -0.481 6.146 -12.768 1.00 0.24 H new ATOM 0 HG13 ILE A 647 0.987 5.204 -12.595 1.00 0.24 H new ATOM 0 HG21 ILE A 647 -2.496 5.310 -11.167 1.00 0.25 H new ATOM 0 HG22 ILE A 647 -1.891 5.511 -9.505 1.00 0.25 H new ATOM 0 HG23 ILE A 647 -1.581 6.771 -10.724 1.00 0.25 H new ATOM 0 HD11 ILE A 647 -0.444 4.281 -14.358 1.00 0.23 H new ATOM 0 HD12 ILE A 647 -0.283 3.123 -13.017 1.00 0.23 H new ATOM 0 HD13 ILE A 647 -1.773 4.079 -13.193 1.00 0.23 H new ATOM 1190 N TRP A 648 2.291 3.993 -9.068 1.00 0.22 N ATOM 1191 CA TRP A 648 3.409 3.072 -8.975 1.00 0.22 C ATOM 1192 C TRP A 648 2.934 1.627 -8.840 1.00 0.19 C ATOM 1193 O TRP A 648 2.067 1.326 -8.024 1.00 0.17 O ATOM 1194 CB TRP A 648 4.263 3.433 -7.759 1.00 0.24 C ATOM 1195 CG TRP A 648 4.719 4.858 -7.753 1.00 0.26 C ATOM 1196 CD1 TRP A 648 4.068 5.939 -7.220 1.00 0.28 C ATOM 1197 CD2 TRP A 648 5.936 5.352 -8.305 1.00 0.31 C ATOM 1198 NE1 TRP A 648 4.809 7.078 -7.429 1.00 0.32 N ATOM 1199 CE2 TRP A 648 5.962 6.741 -8.089 1.00 0.34 C ATOM 1200 CE3 TRP A 648 7.008 4.751 -8.965 1.00 0.36 C ATOM 1201 CZ2 TRP A 648 7.022 7.537 -8.513 1.00 0.41 C ATOM 1202 CZ3 TRP A 648 8.058 5.539 -9.382 1.00 0.43 C ATOM 1203 CH2 TRP A 648 8.059 6.921 -9.156 1.00 0.45 C ATOM 0 H TRP A 648 1.780 4.113 -8.193 1.00 0.22 H new ATOM 0 HA TRP A 648 3.993 3.157 -9.891 1.00 0.22 H new ATOM 0 HB2 TRP A 648 3.690 3.239 -6.852 1.00 0.24 H new ATOM 0 HB3 TRP A 648 5.136 2.780 -7.731 1.00 0.24 H new ATOM 0 HD1 TRP A 648 3.116 5.902 -6.712 1.00 0.28 H new ATOM 0 HE1 TRP A 648 4.544 8.020 -7.140 1.00 0.32 H new ATOM 0 HE3 TRP A 648 7.015 3.686 -9.146 1.00 0.36 H new ATOM 0 HZ2 TRP A 648 7.025 8.603 -8.340 1.00 0.41 H new ATOM 0 HZ3 TRP A 648 8.894 5.084 -9.892 1.00 0.43 H new ATOM 0 HH2 TRP A 648 8.896 7.512 -9.497 1.00 0.45 H new ATOM 1214 N TYR A 649 3.537 0.732 -9.614 1.00 0.21 N ATOM 1215 CA TYR A 649 3.200 -0.683 -9.544 1.00 0.19 C ATOM 1216 C TYR A 649 4.100 -1.346 -8.513 1.00 0.20 C ATOM 1217 O TYR A 649 5.323 -1.347 -8.657 1.00 0.23 O ATOM 1218 CB TYR A 649 3.368 -1.347 -10.905 1.00 0.22 C ATOM 1219 CG TYR A 649 3.310 -2.861 -10.863 1.00 0.23 C ATOM 1220 CD1 TYR A 649 2.244 -3.519 -10.261 1.00 0.32 C ATOM 1221 CD2 TYR A 649 4.322 -3.630 -11.425 1.00 0.38 C ATOM 1222 CE1 TYR A 649 2.188 -4.900 -10.222 1.00 0.36 C ATOM 1223 CE2 TYR A 649 4.274 -5.011 -11.389 1.00 0.41 C ATOM 1224 CZ TYR A 649 3.205 -5.640 -10.786 1.00 0.32 C ATOM 1225 OH TYR A 649 3.152 -7.015 -10.750 1.00 0.38 O ATOM 0 H TYR A 649 4.260 0.961 -10.296 1.00 0.21 H new ATOM 0 HA TYR A 649 2.156 -0.795 -9.250 1.00 0.19 H new ATOM 0 HB2 TYR A 649 2.589 -0.982 -11.575 1.00 0.22 H new ATOM 0 HB3 TYR A 649 4.324 -1.042 -11.331 1.00 0.22 H new ATOM 0 HD1 TYR A 649 1.446 -2.942 -9.816 1.00 0.32 H new ATOM 0 HD2 TYR A 649 5.160 -3.140 -11.898 1.00 0.38 H new ATOM 0 HE1 TYR A 649 1.352 -5.396 -9.752 1.00 0.36 H new ATOM 0 HE2 TYR A 649 5.069 -5.594 -11.830 1.00 0.41 H new ATOM 0 HH TYR A 649 2.318 -7.299 -10.320 1.00 0.38 H new ATOM 1235 N CYS A 650 3.503 -1.879 -7.457 1.00 0.18 N ATOM 1236 CA CYS A 650 4.284 -2.505 -6.395 1.00 0.20 C ATOM 1237 C CYS A 650 4.126 -4.019 -6.375 1.00 0.19 C ATOM 1238 O CYS A 650 3.100 -4.541 -5.942 1.00 0.19 O ATOM 1239 CB CYS A 650 3.881 -1.929 -5.037 1.00 0.22 C ATOM 1240 SG CYS A 650 5.276 -1.586 -3.940 1.00 0.48 S ATOM 0 H CYS A 650 2.494 -1.892 -7.311 1.00 0.18 H new ATOM 0 HA CYS A 650 5.332 -2.286 -6.597 1.00 0.20 H new ATOM 0 HB2 CYS A 650 3.322 -1.007 -5.196 1.00 0.22 H new ATOM 0 HB3 CYS A 650 3.207 -2.629 -4.543 1.00 0.22 H new ATOM 0 HG CYS A 650 6.376 -2.002 -4.494 1.00 0.48 H new ATOM 1246 N HIS A 651 5.159 -4.723 -6.832 1.00 0.20 N ATOM 1247 CA HIS A 651 5.129 -6.183 -6.843 1.00 0.19 C ATOM 1248 C HIS A 651 5.322 -6.744 -5.434 1.00 0.20 C ATOM 1249 O HIS A 651 6.241 -6.346 -4.714 1.00 0.23 O ATOM 1250 CB HIS A 651 6.205 -6.740 -7.772 1.00 0.21 C ATOM 1251 CG HIS A 651 6.123 -8.225 -7.955 1.00 0.20 C ATOM 1252 ND1 HIS A 651 5.451 -8.816 -9.005 1.00 0.22 N ATOM 1253 CD2 HIS A 651 6.639 -9.241 -7.221 1.00 0.22 C ATOM 1254 CE1 HIS A 651 5.561 -10.132 -8.914 1.00 0.22 C ATOM 1255 NE2 HIS A 651 6.276 -10.413 -7.841 1.00 0.22 N ATOM 0 H HIS A 651 6.018 -4.312 -7.196 1.00 0.20 H new ATOM 0 HA HIS A 651 4.150 -6.491 -7.212 1.00 0.19 H new ATOM 0 HB2 HIS A 651 6.120 -6.256 -8.745 1.00 0.21 H new ATOM 0 HB3 HIS A 651 7.187 -6.484 -7.373 1.00 0.21 H new ATOM 0 HD2 HIS A 651 7.225 -9.147 -6.319 1.00 0.22 H new ATOM 0 HE1 HIS A 651 5.138 -10.852 -9.600 1.00 0.22 H new ATOM 0 HE2 HIS A 651 6.520 -11.351 -7.522 1.00 0.22 H new ATOM 1264 N THR A 652 4.447 -7.674 -5.057 1.00 0.20 N ATOM 1265 CA THR A 652 4.497 -8.311 -3.740 1.00 0.21 C ATOM 1266 C THR A 652 4.477 -9.828 -3.853 1.00 0.23 C ATOM 1267 O THR A 652 4.341 -10.532 -2.856 1.00 0.31 O ATOM 1268 CB THR A 652 3.314 -7.885 -2.869 1.00 0.22 C ATOM 1269 OG1 THR A 652 2.390 -7.100 -3.631 1.00 0.20 O ATOM 1270 CG2 THR A 652 3.782 -7.093 -1.665 1.00 0.24 C ATOM 0 H THR A 652 3.687 -8.007 -5.651 1.00 0.20 H new ATOM 0 HA THR A 652 5.431 -7.988 -3.280 1.00 0.21 H new ATOM 0 HB THR A 652 2.815 -8.789 -2.519 1.00 0.22 H new ATOM 0 HG1 THR A 652 2.182 -6.275 -3.144 1.00 0.20 H new ATOM 0 HG21 THR A 652 2.921 -6.803 -1.063 1.00 0.24 H new ATOM 0 HG22 THR A 652 4.454 -7.706 -1.065 1.00 0.24 H new ATOM 0 HG23 THR A 652 4.308 -6.199 -2.000 1.00 0.24 H new ATOM 1278 N GLY A 653 4.595 -10.316 -5.071 1.00 0.20 N ATOM 1279 CA GLY A 653 4.582 -11.746 -5.313 1.00 0.21 C ATOM 1280 C GLY A 653 5.975 -12.343 -5.330 1.00 0.23 C ATOM 1281 O GLY A 653 6.921 -11.723 -5.812 1.00 0.26 O ATOM 0 H GLY A 653 4.701 -9.744 -5.909 1.00 0.20 H new ATOM 0 HA2 GLY A 653 3.989 -12.237 -4.541 1.00 0.21 H new ATOM 0 HA3 GLY A 653 4.093 -11.946 -6.266 1.00 0.21 H new ATOM 1285 N THR A 654 6.100 -13.553 -4.802 1.00 0.25 N ATOM 1286 CA THR A 654 7.385 -14.237 -4.756 1.00 0.28 C ATOM 1287 C THR A 654 7.837 -14.658 -6.151 1.00 0.26 C ATOM 1288 O THR A 654 9.028 -14.845 -6.401 1.00 0.28 O ATOM 1289 CB THR A 654 7.311 -15.488 -3.866 1.00 0.33 C ATOM 1290 OG1 THR A 654 6.713 -15.162 -2.606 1.00 0.38 O ATOM 1291 CG2 THR A 654 8.695 -16.078 -3.640 1.00 0.37 C ATOM 0 H THR A 654 5.326 -14.082 -4.399 1.00 0.25 H new ATOM 0 HA THR A 654 8.105 -13.533 -4.339 1.00 0.28 H new ATOM 0 HB THR A 654 6.697 -16.230 -4.376 1.00 0.33 H new ATOM 0 HG1 THR A 654 6.669 -14.188 -2.507 1.00 0.38 H new ATOM 0 HG21 THR A 654 8.615 -16.962 -3.007 1.00 0.37 H new ATOM 0 HG22 THR A 654 9.133 -16.356 -4.599 1.00 0.37 H new ATOM 0 HG23 THR A 654 9.330 -15.339 -3.152 1.00 0.37 H new ATOM 1299 N ASN A 655 6.871 -14.820 -7.050 1.00 0.25 N ATOM 1300 CA ASN A 655 7.150 -15.237 -8.423 1.00 0.26 C ATOM 1301 C ASN A 655 7.718 -14.109 -9.282 1.00 0.26 C ATOM 1302 O ASN A 655 7.925 -14.286 -10.482 1.00 0.28 O ATOM 1303 CB ASN A 655 5.891 -15.812 -9.072 1.00 0.29 C ATOM 1304 CG ASN A 655 5.843 -17.326 -8.997 1.00 0.45 C ATOM 1305 OD1 ASN A 655 4.792 -17.858 -8.383 1.00 0.71 O flip ATOM 1306 ND2 ASN A 655 6.741 -18.011 -9.487 1.00 0.65 N flip ATOM 0 H ASN A 655 5.882 -14.668 -6.852 1.00 0.25 H new ATOM 0 HA ASN A 655 7.917 -16.010 -8.366 1.00 0.26 H new ATOM 0 HB2 ASN A 655 5.011 -15.398 -8.580 1.00 0.29 H new ATOM 0 HB3 ASN A 655 5.849 -15.501 -10.116 1.00 0.29 H new ATOM 0 HD21 ASN A 655 7.531 -17.561 -9.950 1.00 0.65 H new ATOM 0 HD22 ASN A 655 6.695 -19.028 -9.430 1.00 0.65 H new ATOM 1313 N VAL A 656 7.966 -12.964 -8.659 1.00 0.25 N ATOM 1314 CA VAL A 656 8.517 -11.783 -9.338 1.00 0.27 C ATOM 1315 C VAL A 656 7.759 -11.444 -10.625 1.00 0.30 C ATOM 1316 O VAL A 656 7.133 -12.301 -11.245 1.00 0.36 O ATOM 1317 CB VAL A 656 10.035 -11.937 -9.645 1.00 0.29 C ATOM 1318 CG1 VAL A 656 10.350 -13.282 -10.279 1.00 0.73 C ATOM 1319 CG2 VAL A 656 10.536 -10.806 -10.535 1.00 0.79 C ATOM 0 H VAL A 656 7.792 -12.821 -7.664 1.00 0.25 H new ATOM 0 HA VAL A 656 8.389 -10.956 -8.640 1.00 0.27 H new ATOM 0 HB VAL A 656 10.557 -11.885 -8.690 1.00 0.29 H new ATOM 0 HG11 VAL A 656 11.420 -13.349 -10.477 1.00 0.73 H new ATOM 0 HG12 VAL A 656 10.056 -14.082 -9.600 1.00 0.73 H new ATOM 0 HG13 VAL A 656 9.801 -13.381 -11.215 1.00 0.73 H new ATOM 0 HG21 VAL A 656 11.600 -10.942 -10.732 1.00 0.79 H new ATOM 0 HG22 VAL A 656 9.989 -10.815 -11.478 1.00 0.79 H new ATOM 0 HG23 VAL A 656 10.379 -9.851 -10.033 1.00 0.79 H new ATOM 1329 N SER A 657 7.828 -10.174 -11.016 1.00 0.33 N ATOM 1330 CA SER A 657 7.161 -9.700 -12.225 1.00 0.37 C ATOM 1331 C SER A 657 8.141 -8.939 -13.114 1.00 0.32 C ATOM 1332 O SER A 657 9.227 -8.564 -12.672 1.00 0.31 O ATOM 1333 CB SER A 657 5.981 -8.797 -11.866 1.00 0.49 C ATOM 1334 OG SER A 657 6.403 -7.690 -11.089 1.00 1.05 O ATOM 0 H SER A 657 8.342 -9.452 -10.510 1.00 0.33 H new ATOM 0 HA SER A 657 6.790 -10.568 -12.770 1.00 0.37 H new ATOM 0 HB2 SER A 657 5.500 -8.443 -12.778 1.00 0.49 H new ATOM 0 HB3 SER A 657 5.236 -9.370 -11.314 1.00 0.49 H new ATOM 0 HG SER A 657 5.935 -7.697 -10.228 1.00 1.05 H new ATOM 1340 N TYR A 658 7.755 -8.711 -14.367 1.00 0.33 N ATOM 1341 CA TYR A 658 8.612 -7.992 -15.306 1.00 0.31 C ATOM 1342 C TYR A 658 7.826 -6.935 -16.076 1.00 0.33 C ATOM 1343 O TYR A 658 6.862 -7.250 -16.771 1.00 0.39 O ATOM 1344 CB TYR A 658 9.266 -8.968 -16.287 1.00 0.33 C ATOM 1345 CG TYR A 658 10.032 -10.086 -15.616 1.00 0.46 C ATOM 1346 CD1 TYR A 658 9.369 -11.175 -15.065 1.00 0.71 C ATOM 1347 CD2 TYR A 658 11.419 -10.052 -15.535 1.00 0.71 C ATOM 1348 CE1 TYR A 658 10.066 -12.199 -14.452 1.00 0.90 C ATOM 1349 CE2 TYR A 658 12.123 -11.072 -14.924 1.00 0.89 C ATOM 1350 CZ TYR A 658 11.442 -12.142 -14.383 1.00 0.91 C ATOM 1351 OH TYR A 658 12.139 -13.160 -13.774 1.00 1.15 O ATOM 0 H TYR A 658 6.860 -9.011 -14.754 1.00 0.33 H new ATOM 0 HA TYR A 658 9.388 -7.489 -14.728 1.00 0.31 H new ATOM 0 HB2 TYR A 658 8.494 -9.400 -16.924 1.00 0.33 H new ATOM 0 HB3 TYR A 658 9.944 -8.415 -16.938 1.00 0.33 H new ATOM 0 HD1 TYR A 658 8.291 -11.222 -15.116 1.00 0.71 H new ATOM 0 HD2 TYR A 658 11.955 -9.215 -15.956 1.00 0.71 H new ATOM 0 HE1 TYR A 658 9.536 -13.039 -14.029 1.00 0.90 H new ATOM 0 HE2 TYR A 658 13.201 -11.031 -14.870 1.00 0.89 H new ATOM 0 HH TYR A 658 13.099 -12.967 -13.811 1.00 1.15 H new ATOM 1361 N LEU A 659 8.247 -5.680 -15.955 1.00 0.35 N ATOM 1362 CA LEU A 659 7.583 -4.582 -16.650 1.00 0.39 C ATOM 1363 C LEU A 659 8.429 -4.096 -17.822 1.00 0.42 C ATOM 1364 O LEU A 659 9.458 -3.450 -17.629 1.00 0.43 O ATOM 1365 CB LEU A 659 7.311 -3.420 -15.688 1.00 0.42 C ATOM 1366 CG LEU A 659 5.851 -2.971 -15.610 1.00 0.70 C ATOM 1367 CD1 LEU A 659 5.727 -1.687 -14.806 1.00 1.28 C ATOM 1368 CD2 LEU A 659 5.271 -2.774 -17.003 1.00 1.28 C ATOM 0 H LEU A 659 9.043 -5.398 -15.383 1.00 0.35 H new ATOM 0 HA LEU A 659 6.632 -4.953 -17.033 1.00 0.39 H new ATOM 0 HB2 LEU A 659 7.640 -3.710 -14.690 1.00 0.42 H new ATOM 0 HB3 LEU A 659 7.921 -2.569 -15.989 1.00 0.42 H new ATOM 0 HG LEU A 659 5.285 -3.755 -15.106 1.00 0.70 H new ATOM 0 HD11 LEU A 659 4.681 -1.385 -14.763 1.00 1.28 H new ATOM 0 HD12 LEU A 659 6.099 -1.853 -13.795 1.00 1.28 H new ATOM 0 HD13 LEU A 659 6.312 -0.901 -15.283 1.00 1.28 H new ATOM 0 HD21 LEU A 659 4.232 -2.455 -16.923 1.00 1.28 H new ATOM 0 HD22 LEU A 659 5.845 -2.013 -17.532 1.00 1.28 H new ATOM 0 HD23 LEU A 659 5.320 -3.713 -17.554 1.00 1.28 H new ATOM 1380 N ASN A 660 7.989 -4.412 -19.036 1.00 0.49 N ATOM 1381 CA ASN A 660 8.710 -4.007 -20.239 1.00 0.54 C ATOM 1382 C ASN A 660 10.066 -4.703 -20.311 1.00 0.50 C ATOM 1383 O ASN A 660 10.250 -5.649 -21.078 1.00 0.52 O ATOM 1384 CB ASN A 660 8.896 -2.488 -20.263 1.00 0.58 C ATOM 1385 CG ASN A 660 8.218 -1.841 -21.455 1.00 1.03 C ATOM 1386 OD1 ASN A 660 8.802 -0.995 -22.133 1.00 1.88 O ATOM 1387 ND2 ASN A 660 6.976 -2.236 -21.715 1.00 1.44 N ATOM 0 H ASN A 660 7.138 -4.946 -19.213 1.00 0.49 H new ATOM 0 HA ASN A 660 8.121 -4.302 -21.107 1.00 0.54 H new ATOM 0 HB2 ASN A 660 8.494 -2.061 -19.344 1.00 0.58 H new ATOM 0 HB3 ASN A 660 9.961 -2.255 -20.284 1.00 0.58 H new ATOM 0 HD21 ASN A 660 6.468 -1.835 -22.503 1.00 1.44 H new ATOM 0 HD22 ASN A 660 6.531 -2.940 -21.126 1.00 1.44 H new ATOM 1394 N ASN A 661 11.011 -4.231 -19.505 1.00 0.47 N ATOM 1395 CA ASN A 661 12.349 -4.808 -19.473 1.00 0.46 C ATOM 1396 C ASN A 661 12.986 -4.647 -18.092 1.00 0.42 C ATOM 1397 O ASN A 661 14.209 -4.695 -17.956 1.00 0.46 O ATOM 1398 CB ASN A 661 13.235 -4.154 -20.537 1.00 0.51 C ATOM 1399 CG ASN A 661 13.959 -5.175 -21.393 1.00 1.31 C ATOM 1400 OD1 ASN A 661 13.583 -6.346 -21.434 1.00 2.01 O ATOM 1401 ND2 ASN A 661 15.005 -4.734 -22.082 1.00 2.12 N ATOM 0 H ASN A 661 10.874 -3.449 -18.864 1.00 0.47 H new ATOM 0 HA ASN A 661 12.261 -5.873 -19.687 1.00 0.46 H new ATOM 0 HB2 ASN A 661 12.622 -3.518 -21.175 1.00 0.51 H new ATOM 0 HB3 ASN A 661 13.966 -3.508 -20.051 1.00 0.51 H new ATOM 0 HD21 ASN A 661 15.532 -5.375 -22.675 1.00 2.12 H new ATOM 0 HD22 ASN A 661 15.281 -3.754 -22.018 1.00 2.12 H new ATOM 1408 N ASN A 662 12.154 -4.455 -17.071 1.00 0.42 N ATOM 1409 CA ASN A 662 12.644 -4.288 -15.708 1.00 0.41 C ATOM 1410 C ASN A 662 12.101 -5.382 -14.792 1.00 0.38 C ATOM 1411 O ASN A 662 10.940 -5.779 -14.902 1.00 0.39 O ATOM 1412 CB ASN A 662 12.250 -2.910 -15.166 1.00 0.47 C ATOM 1413 CG ASN A 662 13.433 -1.967 -15.069 1.00 0.87 C ATOM 1414 OD1 ASN A 662 13.738 -1.444 -13.996 1.00 1.55 O ATOM 1415 ND2 ASN A 662 14.108 -1.745 -16.190 1.00 1.53 N ATOM 0 H ASN A 662 11.139 -4.411 -17.163 1.00 0.42 H new ATOM 0 HA ASN A 662 13.731 -4.366 -15.730 1.00 0.41 H new ATOM 0 HB2 ASN A 662 11.491 -2.471 -15.814 1.00 0.47 H new ATOM 0 HB3 ASN A 662 11.799 -3.026 -14.180 1.00 0.47 H new ATOM 0 HD21 ASN A 662 14.914 -1.120 -16.185 1.00 1.53 H new ATOM 0 HD22 ASN A 662 13.821 -2.199 -17.057 1.00 1.53 H new ATOM 1422 N ARG A 663 12.947 -5.862 -13.886 1.00 0.40 N ATOM 1423 CA ARG A 663 12.555 -6.906 -12.946 1.00 0.40 C ATOM 1424 C ARG A 663 12.127 -6.298 -11.615 1.00 0.42 C ATOM 1425 O ARG A 663 12.719 -5.325 -11.148 1.00 0.56 O ATOM 1426 CB ARG A 663 13.706 -7.887 -12.726 1.00 0.56 C ATOM 1427 CG ARG A 663 13.360 -9.029 -11.783 1.00 0.83 C ATOM 1428 CD ARG A 663 14.326 -10.191 -11.937 1.00 0.78 C ATOM 1429 NE ARG A 663 15.695 -9.814 -11.594 1.00 1.39 N ATOM 1430 CZ ARG A 663 16.691 -10.685 -11.456 1.00 1.75 C ATOM 1431 NH1 ARG A 663 16.476 -11.984 -11.630 1.00 2.29 N ATOM 1432 NH2 ARG A 663 17.907 -10.258 -11.141 1.00 2.15 N ATOM 0 H ARG A 663 13.911 -5.544 -13.783 1.00 0.40 H new ATOM 0 HA ARG A 663 11.709 -7.446 -13.371 1.00 0.40 H new ATOM 0 HB2 ARG A 663 14.009 -8.300 -13.688 1.00 0.56 H new ATOM 0 HB3 ARG A 663 14.564 -7.345 -12.328 1.00 0.56 H new ATOM 0 HG2 ARG A 663 13.381 -8.671 -10.754 1.00 0.83 H new ATOM 0 HG3 ARG A 663 12.344 -9.371 -11.981 1.00 0.83 H new ATOM 0 HD2 ARG A 663 14.006 -11.015 -11.299 1.00 0.78 H new ATOM 0 HD3 ARG A 663 14.296 -10.553 -12.965 1.00 0.78 H new ATOM 0 HE ARG A 663 15.899 -8.825 -11.452 1.00 1.39 H new ATOM 0 HH11 ARG A 663 15.543 -12.319 -11.871 1.00 2.29 H new ATOM 0 HH12 ARG A 663 17.244 -12.647 -11.523 1.00 2.29 H new ATOM 0 HH21 ARG A 663 18.078 -9.262 -11.005 1.00 2.15 H new ATOM 0 HH22 ARG A 663 18.671 -10.926 -11.035 1.00 2.15 H new ATOM 1446 N MET A 664 11.093 -6.871 -11.008 1.00 0.41 N ATOM 1447 CA MET A 664 10.590 -6.373 -9.732 1.00 0.53 C ATOM 1448 C MET A 664 10.328 -7.521 -8.765 1.00 0.43 C ATOM 1449 O MET A 664 9.415 -8.320 -8.970 1.00 0.52 O ATOM 1450 CB MET A 664 9.303 -5.566 -9.932 1.00 0.76 C ATOM 1451 CG MET A 664 9.160 -4.950 -11.316 1.00 0.74 C ATOM 1452 SD MET A 664 7.470 -4.434 -11.669 1.00 0.97 S ATOM 1453 CE MET A 664 7.053 -3.585 -10.150 1.00 0.46 C ATOM 0 H MET A 664 10.589 -7.677 -11.377 1.00 0.41 H new ATOM 0 HA MET A 664 11.354 -5.722 -9.308 1.00 0.53 H new ATOM 0 HB2 MET A 664 8.448 -6.216 -9.746 1.00 0.76 H new ATOM 0 HB3 MET A 664 9.267 -4.771 -9.187 1.00 0.76 H new ATOM 0 HG2 MET A 664 9.824 -4.089 -11.398 1.00 0.74 H new ATOM 0 HG3 MET A 664 9.480 -5.672 -12.067 1.00 0.74 H new ATOM 0 HE1 MET A 664 6.375 -2.760 -10.369 1.00 0.46 H new ATOM 0 HE2 MET A 664 6.568 -4.281 -9.465 1.00 0.46 H new ATOM 0 HE3 MET A 664 7.961 -3.196 -9.689 1.00 0.46 H new ATOM 1463 N ILE A 665 11.127 -7.592 -7.709 1.00 0.38 N ATOM 1464 CA ILE A 665 10.975 -8.641 -6.711 1.00 0.34 C ATOM 1465 C ILE A 665 9.960 -8.236 -5.651 1.00 0.29 C ATOM 1466 O ILE A 665 9.735 -7.048 -5.416 1.00 0.31 O ATOM 1467 CB ILE A 665 12.317 -8.963 -6.024 1.00 0.45 C ATOM 1468 CG1 ILE A 665 12.837 -7.737 -5.267 1.00 0.56 C ATOM 1469 CG2 ILE A 665 13.338 -9.431 -7.049 1.00 0.49 C ATOM 1470 CD1 ILE A 665 14.138 -7.986 -4.533 1.00 0.66 C ATOM 0 H ILE A 665 11.886 -6.937 -7.522 1.00 0.38 H new ATOM 0 HA ILE A 665 10.622 -9.531 -7.233 1.00 0.34 H new ATOM 0 HB ILE A 665 12.156 -9.768 -5.306 1.00 0.45 H new ATOM 0 HG12 ILE A 665 12.978 -6.918 -5.972 1.00 0.56 H new ATOM 0 HG13 ILE A 665 12.081 -7.415 -4.551 1.00 0.56 H new ATOM 0 HG21 ILE A 665 14.280 -9.654 -6.548 1.00 0.49 H new ATOM 0 HG22 ILE A 665 12.970 -10.328 -7.546 1.00 0.49 H new ATOM 0 HG23 ILE A 665 13.497 -8.646 -7.788 1.00 0.49 H new ATOM 0 HD11 ILE A 665 14.446 -7.075 -4.020 1.00 0.66 H new ATOM 0 HD12 ILE A 665 13.997 -8.784 -3.804 1.00 0.66 H new ATOM 0 HD13 ILE A 665 14.908 -8.279 -5.247 1.00 0.66 H new ATOM 1482 N GLN A 666 9.346 -9.228 -5.013 1.00 0.27 N ATOM 1483 CA GLN A 666 8.352 -8.970 -3.978 1.00 0.25 C ATOM 1484 C GLN A 666 8.859 -7.930 -2.982 1.00 0.27 C ATOM 1485 O GLN A 666 9.594 -8.253 -2.049 1.00 0.33 O ATOM 1486 CB GLN A 666 7.995 -10.267 -3.248 1.00 0.27 C ATOM 1487 CG GLN A 666 7.260 -10.039 -1.942 1.00 0.56 C ATOM 1488 CD GLN A 666 6.766 -11.321 -1.311 1.00 0.45 C ATOM 1489 OE1 GLN A 666 5.959 -12.064 -2.054 1.00 0.70 O flip ATOM 1490 NE2 GLN A 666 7.103 -11.640 -0.172 1.00 0.37 N flip ATOM 0 H GLN A 666 9.519 -10.217 -5.195 1.00 0.27 H new ATOM 0 HA GLN A 666 7.457 -8.576 -4.459 1.00 0.25 H new ATOM 0 HB2 GLN A 666 7.378 -10.885 -3.901 1.00 0.27 H new ATOM 0 HB3 GLN A 666 8.909 -10.827 -3.049 1.00 0.27 H new ATOM 0 HG2 GLN A 666 7.922 -9.528 -1.243 1.00 0.56 H new ATOM 0 HG3 GLN A 666 6.412 -9.377 -2.119 1.00 0.56 H new ATOM 0 HE21 GLN A 666 7.727 -11.036 0.363 1.00 0.37 H new ATOM 0 HE22 GLN A 666 6.759 -12.509 0.237 1.00 0.37 H new ATOM 1499 N GLY A 667 8.468 -6.681 -3.197 1.00 0.26 N ATOM 1500 CA GLY A 667 8.895 -5.607 -2.327 1.00 0.31 C ATOM 1501 C GLY A 667 9.507 -4.474 -3.116 1.00 0.33 C ATOM 1502 O GLY A 667 10.354 -3.737 -2.612 1.00 0.40 O ATOM 0 H GLY A 667 7.859 -6.393 -3.963 1.00 0.26 H new ATOM 0 HA2 GLY A 667 8.043 -5.237 -1.756 1.00 0.31 H new ATOM 0 HA3 GLY A 667 9.621 -5.986 -1.607 1.00 0.31 H new ATOM 1506 N THR A 668 9.081 -4.344 -4.368 1.00 0.29 N ATOM 1507 CA THR A 668 9.589 -3.308 -5.242 1.00 0.31 C ATOM 1508 C THR A 668 8.469 -2.411 -5.747 1.00 0.30 C ATOM 1509 O THR A 668 7.296 -2.780 -5.735 1.00 0.30 O ATOM 1510 CB THR A 668 10.329 -3.909 -6.451 1.00 0.31 C ATOM 1511 OG1 THR A 668 9.620 -5.055 -6.940 1.00 0.28 O ATOM 1512 CG2 THR A 668 11.747 -4.308 -6.073 1.00 0.35 C ATOM 0 H THR A 668 8.381 -4.950 -4.796 1.00 0.29 H new ATOM 0 HA THR A 668 10.287 -2.714 -4.652 1.00 0.31 H new ATOM 0 HB THR A 668 10.377 -3.151 -7.233 1.00 0.31 H new ATOM 0 HG1 THR A 668 9.908 -5.852 -6.449 1.00 0.28 H new ATOM 0 HG21 THR A 668 12.250 -4.730 -6.943 1.00 0.35 H new ATOM 0 HG22 THR A 668 12.293 -3.429 -5.729 1.00 0.35 H new ATOM 0 HG23 THR A 668 11.716 -5.051 -5.276 1.00 0.35 H new ATOM 1520 N LYS A 669 8.862 -1.236 -6.201 1.00 0.32 N ATOM 1521 CA LYS A 669 7.934 -0.249 -6.738 1.00 0.33 C ATOM 1522 C LYS A 669 8.361 0.126 -8.153 1.00 0.33 C ATOM 1523 O LYS A 669 9.556 0.188 -8.446 1.00 0.38 O ATOM 1524 CB LYS A 669 7.907 0.994 -5.845 1.00 0.41 C ATOM 1525 CG LYS A 669 6.725 1.909 -6.110 1.00 0.40 C ATOM 1526 CD LYS A 669 6.476 2.849 -4.940 1.00 0.42 C ATOM 1527 CE LYS A 669 7.246 4.151 -5.096 1.00 0.48 C ATOM 1528 NZ LYS A 669 8.341 4.273 -4.093 1.00 0.76 N ATOM 0 H LYS A 669 9.836 -0.935 -6.209 1.00 0.32 H new ATOM 0 HA LYS A 669 6.931 -0.674 -6.765 1.00 0.33 H new ATOM 0 HB2 LYS A 669 7.886 0.681 -4.801 1.00 0.41 H new ATOM 0 HB3 LYS A 669 8.830 1.555 -5.991 1.00 0.41 H new ATOM 0 HG2 LYS A 669 6.909 2.491 -7.013 1.00 0.40 H new ATOM 0 HG3 LYS A 669 5.833 1.310 -6.293 1.00 0.40 H new ATOM 0 HD2 LYS A 669 5.410 3.063 -4.864 1.00 0.42 H new ATOM 0 HD3 LYS A 669 6.770 2.361 -4.011 1.00 0.42 H new ATOM 0 HE2 LYS A 669 7.666 4.206 -6.100 1.00 0.48 H new ATOM 0 HE3 LYS A 669 6.561 4.993 -4.990 1.00 0.48 H new ATOM 0 HZ1 LYS A 669 8.841 5.174 -4.233 1.00 0.76 H new ATOM 0 HZ2 LYS A 669 7.938 4.246 -3.134 1.00 0.76 H new ATOM 0 HZ3 LYS A 669 9.009 3.484 -4.210 1.00 0.76 H new ATOM 1542 N PHE A 670 7.397 0.346 -9.041 1.00 0.33 N ATOM 1543 CA PHE A 670 7.726 0.677 -10.423 1.00 0.34 C ATOM 1544 C PHE A 670 6.708 1.628 -11.057 1.00 0.35 C ATOM 1545 O PHE A 670 5.512 1.536 -10.799 1.00 0.37 O ATOM 1546 CB PHE A 670 7.824 -0.614 -11.240 1.00 0.33 C ATOM 1547 CG PHE A 670 8.720 -0.522 -12.442 1.00 0.37 C ATOM 1548 CD1 PHE A 670 9.536 0.581 -12.640 1.00 0.76 C ATOM 1549 CD2 PHE A 670 8.742 -1.541 -13.378 1.00 0.63 C ATOM 1550 CE1 PHE A 670 10.351 0.668 -13.748 1.00 0.80 C ATOM 1551 CE2 PHE A 670 9.556 -1.458 -14.492 1.00 0.64 C ATOM 1552 CZ PHE A 670 10.360 -0.350 -14.676 1.00 0.47 C ATOM 0 H PHE A 670 6.399 0.302 -8.834 1.00 0.33 H new ATOM 0 HA PHE A 670 8.684 1.197 -10.422 1.00 0.34 H new ATOM 0 HB2 PHE A 670 8.186 -1.413 -10.593 1.00 0.33 H new ATOM 0 HB3 PHE A 670 6.824 -0.898 -11.568 1.00 0.33 H new ATOM 0 HD1 PHE A 670 9.533 1.383 -11.916 1.00 0.76 H new ATOM 0 HD2 PHE A 670 8.117 -2.410 -13.237 1.00 0.63 H new ATOM 0 HE1 PHE A 670 10.982 1.533 -13.889 1.00 0.80 H new ATOM 0 HE2 PHE A 670 9.563 -2.258 -15.217 1.00 0.64 H new ATOM 0 HZ PHE A 670 10.995 -0.282 -15.547 1.00 0.47 H new ATOM 1562 N LEU A 671 7.198 2.540 -11.900 1.00 0.39 N ATOM 1563 CA LEU A 671 6.337 3.505 -12.582 1.00 0.43 C ATOM 1564 C LEU A 671 5.479 2.823 -13.642 1.00 0.40 C ATOM 1565 O LEU A 671 5.967 1.996 -14.411 1.00 0.41 O ATOM 1566 CB LEU A 671 7.181 4.596 -13.262 1.00 0.55 C ATOM 1567 CG LEU A 671 6.748 6.059 -13.028 1.00 0.58 C ATOM 1568 CD1 LEU A 671 5.326 6.162 -12.494 1.00 0.92 C ATOM 1569 CD2 LEU A 671 7.702 6.754 -12.081 1.00 1.39 C ATOM 0 H LEU A 671 8.189 2.629 -12.126 1.00 0.39 H new ATOM 0 HA LEU A 671 5.690 3.953 -11.827 1.00 0.43 H new ATOM 0 HB2 LEU A 671 8.211 4.489 -12.923 1.00 0.55 H new ATOM 0 HB3 LEU A 671 7.177 4.408 -14.336 1.00 0.55 H new ATOM 0 HG LEU A 671 6.775 6.554 -13.999 1.00 0.58 H new ATOM 0 HD11 LEU A 671 5.068 7.211 -12.346 1.00 0.92 H new ATOM 0 HD12 LEU A 671 4.635 5.716 -13.210 1.00 0.92 H new ATOM 0 HD13 LEU A 671 5.255 5.633 -11.544 1.00 0.92 H new ATOM 0 HD21 LEU A 671 7.379 7.784 -11.930 1.00 1.39 H new ATOM 0 HD22 LEU A 671 7.710 6.232 -11.124 1.00 1.39 H new ATOM 0 HD23 LEU A 671 8.706 6.748 -12.506 1.00 1.39 H new ATOM 1581 N LEU A 672 4.205 3.191 -13.692 1.00 0.38 N ATOM 1582 CA LEU A 672 3.291 2.628 -14.679 1.00 0.40 C ATOM 1583 C LEU A 672 2.940 3.663 -15.747 1.00 0.44 C ATOM 1584 O LEU A 672 2.106 4.543 -15.530 1.00 0.63 O ATOM 1585 CB LEU A 672 2.021 2.107 -14.000 1.00 0.38 C ATOM 1586 CG LEU A 672 2.164 0.776 -13.247 1.00 0.36 C ATOM 1587 CD1 LEU A 672 0.878 -0.023 -13.344 1.00 0.33 C ATOM 1588 CD2 LEU A 672 3.330 -0.046 -13.780 1.00 0.48 C ATOM 0 H LEU A 672 3.782 3.874 -13.064 1.00 0.38 H new ATOM 0 HA LEU A 672 3.791 1.791 -15.166 1.00 0.40 H new ATOM 0 HB2 LEU A 672 1.670 2.864 -13.298 1.00 0.38 H new ATOM 0 HB3 LEU A 672 1.247 1.992 -14.759 1.00 0.38 H new ATOM 0 HG LEU A 672 2.367 1.007 -12.201 1.00 0.36 H new ATOM 0 HD11 LEU A 672 0.993 -0.964 -12.806 1.00 0.33 H new ATOM 0 HD12 LEU A 672 0.060 0.549 -12.905 1.00 0.33 H new ATOM 0 HD13 LEU A 672 0.655 -0.228 -14.391 1.00 0.33 H new ATOM 0 HD21 LEU A 672 3.401 -0.981 -13.224 1.00 0.48 H new ATOM 0 HD22 LEU A 672 3.169 -0.264 -14.836 1.00 0.48 H new ATOM 0 HD23 LEU A 672 4.256 0.517 -13.662 1.00 0.48 H new ATOM 1600 N GLN A 673 3.592 3.542 -16.899 1.00 0.37 N ATOM 1601 CA GLN A 673 3.379 4.449 -18.025 1.00 0.40 C ATOM 1602 C GLN A 673 2.166 4.022 -18.841 1.00 0.39 C ATOM 1603 O GLN A 673 1.897 2.832 -18.992 1.00 0.43 O ATOM 1604 CB GLN A 673 4.624 4.459 -18.910 1.00 0.45 C ATOM 1605 CG GLN A 673 5.914 4.564 -18.117 1.00 0.48 C ATOM 1606 CD GLN A 673 7.023 5.253 -18.883 1.00 0.48 C ATOM 1607 OE1 GLN A 673 7.043 5.250 -20.113 1.00 0.50 O ATOM 1608 NE2 GLN A 673 7.960 5.844 -18.151 1.00 0.63 N ATOM 0 H GLN A 673 4.283 2.814 -17.080 1.00 0.37 H new ATOM 0 HA GLN A 673 3.195 5.451 -17.639 1.00 0.40 H new ATOM 0 HB2 GLN A 673 4.645 3.548 -19.509 1.00 0.45 H new ATOM 0 HB3 GLN A 673 4.562 5.296 -19.605 1.00 0.45 H new ATOM 0 HG2 GLN A 673 5.723 5.111 -17.194 1.00 0.48 H new ATOM 0 HG3 GLN A 673 6.242 3.564 -17.833 1.00 0.48 H new ATOM 0 HE21 GLN A 673 7.902 5.821 -17.133 1.00 0.63 H new ATOM 0 HE22 GLN A 673 8.738 6.321 -18.607 1.00 0.63 H new ATOM 1617 N ASP A 674 1.435 4.999 -19.368 1.00 0.42 N ATOM 1618 CA ASP A 674 0.250 4.716 -20.170 1.00 0.42 C ATOM 1619 C ASP A 674 0.556 3.657 -21.228 1.00 0.39 C ATOM 1620 O ASP A 674 1.486 3.806 -22.020 1.00 0.46 O ATOM 1621 CB ASP A 674 -0.274 6.007 -20.815 1.00 0.48 C ATOM 1622 CG ASP A 674 0.439 6.373 -22.105 1.00 0.57 C ATOM 1623 OD1 ASP A 674 0.282 5.636 -23.100 1.00 1.33 O ATOM 1624 OD2 ASP A 674 1.144 7.403 -22.120 1.00 1.20 O ATOM 0 H ASP A 674 1.642 5.991 -19.255 1.00 0.42 H new ATOM 0 HA ASP A 674 -0.528 4.320 -19.518 1.00 0.42 H new ATOM 0 HB2 ASP A 674 -1.339 5.896 -21.017 1.00 0.48 H new ATOM 0 HB3 ASP A 674 -0.168 6.827 -20.105 1.00 0.48 H new ATOM 1629 N GLY A 675 -0.217 2.578 -21.215 1.00 0.36 N ATOM 1630 CA GLY A 675 0.004 1.502 -22.160 1.00 0.38 C ATOM 1631 C GLY A 675 1.188 0.651 -21.755 1.00 0.37 C ATOM 1632 O GLY A 675 1.979 0.224 -22.598 1.00 0.40 O ATOM 0 H GLY A 675 -0.991 2.430 -20.568 1.00 0.36 H new ATOM 0 HA2 GLY A 675 -0.889 0.880 -22.222 1.00 0.38 H new ATOM 0 HA3 GLY A 675 0.174 1.917 -23.154 1.00 0.38 H new ATOM 1636 N ASP A 676 1.310 0.413 -20.453 1.00 0.35 N ATOM 1637 CA ASP A 676 2.407 -0.384 -19.916 1.00 0.35 C ATOM 1638 C ASP A 676 1.971 -1.820 -19.683 1.00 0.32 C ATOM 1639 O ASP A 676 1.011 -2.078 -18.957 1.00 0.33 O ATOM 1640 CB ASP A 676 2.912 0.222 -18.605 1.00 0.36 C ATOM 1641 CG ASP A 676 4.138 1.092 -18.807 1.00 0.50 C ATOM 1642 OD1 ASP A 676 4.454 1.410 -19.973 1.00 1.33 O ATOM 1643 OD2 ASP A 676 4.783 1.452 -17.800 1.00 1.10 O ATOM 0 H ASP A 676 0.660 0.762 -19.748 1.00 0.35 H new ATOM 0 HA ASP A 676 3.215 -0.381 -20.648 1.00 0.35 H new ATOM 0 HB2 ASP A 676 2.118 0.816 -18.153 1.00 0.36 H new ATOM 0 HB3 ASP A 676 3.149 -0.579 -17.905 1.00 0.36 H new ATOM 1648 N GLU A 677 2.690 -2.757 -20.287 1.00 0.32 N ATOM 1649 CA GLU A 677 2.375 -4.165 -20.122 1.00 0.31 C ATOM 1650 C GLU A 677 3.252 -4.758 -19.028 1.00 0.29 C ATOM 1651 O GLU A 677 4.479 -4.755 -19.133 1.00 0.29 O ATOM 1652 CB GLU A 677 2.568 -4.931 -21.434 1.00 0.35 C ATOM 1653 CG GLU A 677 2.104 -4.165 -22.664 1.00 1.25 C ATOM 1654 CD GLU A 677 3.233 -3.874 -23.633 1.00 2.08 C ATOM 1655 OE1 GLU A 677 4.347 -3.554 -23.167 1.00 2.84 O ATOM 1656 OE2 GLU A 677 3.003 -3.965 -24.857 1.00 2.64 O ATOM 0 H GLU A 677 3.490 -2.567 -20.891 1.00 0.32 H new ATOM 0 HA GLU A 677 1.327 -4.256 -19.835 1.00 0.31 H new ATOM 0 HB2 GLU A 677 3.623 -5.179 -21.548 1.00 0.35 H new ATOM 0 HB3 GLU A 677 2.024 -5.874 -21.377 1.00 0.35 H new ATOM 0 HG2 GLU A 677 1.331 -4.740 -23.175 1.00 1.25 H new ATOM 0 HG3 GLU A 677 1.648 -3.226 -22.351 1.00 1.25 H new ATOM 1663 N ILE A 678 2.619 -5.240 -17.966 1.00 0.29 N ATOM 1664 CA ILE A 678 3.349 -5.806 -16.841 1.00 0.30 C ATOM 1665 C ILE A 678 3.265 -7.325 -16.823 1.00 0.30 C ATOM 1666 O ILE A 678 2.181 -7.893 -16.716 1.00 0.35 O ATOM 1667 CB ILE A 678 2.804 -5.274 -15.497 1.00 0.36 C ATOM 1668 CG1 ILE A 678 2.516 -3.772 -15.582 1.00 1.18 C ATOM 1669 CG2 ILE A 678 3.784 -5.571 -14.370 1.00 1.36 C ATOM 1670 CD1 ILE A 678 1.461 -3.302 -14.603 1.00 1.15 C ATOM 0 H ILE A 678 1.604 -5.250 -17.861 1.00 0.29 H new ATOM 0 HA ILE A 678 4.389 -5.503 -16.966 1.00 0.30 H new ATOM 0 HB ILE A 678 1.866 -5.786 -15.282 1.00 0.36 H new ATOM 0 HG12 ILE A 678 3.440 -3.222 -15.400 1.00 1.18 H new ATOM 0 HG13 ILE A 678 2.195 -3.529 -16.595 1.00 1.18 H new ATOM 0 HG21 ILE A 678 3.384 -5.189 -13.430 1.00 1.36 H new ATOM 0 HG22 ILE A 678 3.932 -6.648 -14.291 1.00 1.36 H new ATOM 0 HG23 ILE A 678 4.738 -5.088 -14.581 1.00 1.36 H new ATOM 0 HD11 ILE A 678 1.309 -2.229 -14.719 1.00 1.15 H new ATOM 0 HD12 ILE A 678 0.525 -3.825 -14.798 1.00 1.15 H new ATOM 0 HD13 ILE A 678 1.789 -3.514 -13.585 1.00 1.15 H new ATOM 1682 N LYS A 679 4.420 -7.976 -16.900 1.00 0.28 N ATOM 1683 CA LYS A 679 4.474 -9.433 -16.864 1.00 0.31 C ATOM 1684 C LYS A 679 4.451 -9.903 -15.420 1.00 0.34 C ATOM 1685 O LYS A 679 5.354 -9.599 -14.642 1.00 0.41 O ATOM 1686 CB LYS A 679 5.729 -9.949 -17.572 1.00 0.33 C ATOM 1687 CG LYS A 679 5.629 -9.909 -19.088 1.00 0.80 C ATOM 1688 CD LYS A 679 6.963 -10.224 -19.744 1.00 1.03 C ATOM 1689 CE LYS A 679 6.908 -10.014 -21.248 1.00 1.47 C ATOM 1690 NZ LYS A 679 8.111 -10.564 -21.931 1.00 2.15 N ATOM 0 H LYS A 679 5.328 -7.520 -16.987 1.00 0.28 H new ATOM 0 HA LYS A 679 3.605 -9.832 -17.388 1.00 0.31 H new ATOM 0 HB2 LYS A 679 6.586 -9.353 -17.256 1.00 0.33 H new ATOM 0 HB3 LYS A 679 5.920 -10.974 -17.255 1.00 0.33 H new ATOM 0 HG2 LYS A 679 4.880 -10.626 -19.423 1.00 0.80 H new ATOM 0 HG3 LYS A 679 5.291 -8.923 -19.405 1.00 0.80 H new ATOM 0 HD2 LYS A 679 7.739 -9.590 -19.315 1.00 1.03 H new ATOM 0 HD3 LYS A 679 7.240 -11.256 -19.530 1.00 1.03 H new ATOM 0 HE2 LYS A 679 6.014 -10.491 -21.648 1.00 1.47 H new ATOM 0 HE3 LYS A 679 6.824 -8.949 -21.463 1.00 1.47 H new ATOM 0 HZ1 LYS A 679 8.034 -10.400 -22.955 1.00 2.15 H new ATOM 0 HZ2 LYS A 679 8.963 -10.091 -21.568 1.00 2.15 H new ATOM 0 HZ3 LYS A 679 8.178 -11.586 -21.748 1.00 2.15 H new ATOM 1704 N ILE A 680 3.399 -10.620 -15.061 1.00 0.41 N ATOM 1705 CA ILE A 680 3.239 -11.104 -13.701 1.00 0.53 C ATOM 1706 C ILE A 680 3.935 -12.446 -13.492 1.00 0.47 C ATOM 1707 O ILE A 680 4.432 -12.727 -12.401 1.00 0.49 O ATOM 1708 CB ILE A 680 1.734 -11.194 -13.339 1.00 0.74 C ATOM 1709 CG1 ILE A 680 1.404 -10.211 -12.214 1.00 0.66 C ATOM 1710 CG2 ILE A 680 1.315 -12.611 -12.956 1.00 1.83 C ATOM 1711 CD1 ILE A 680 -0.078 -10.006 -12.008 1.00 0.61 C ATOM 0 H ILE A 680 2.642 -10.880 -15.694 1.00 0.41 H new ATOM 0 HA ILE A 680 3.717 -10.389 -13.031 1.00 0.53 H new ATOM 0 HB ILE A 680 1.166 -10.925 -14.229 1.00 0.74 H new ATOM 0 HG12 ILE A 680 1.845 -10.573 -11.285 1.00 0.66 H new ATOM 0 HG13 ILE A 680 1.868 -9.250 -12.434 1.00 0.66 H new ATOM 0 HG21 ILE A 680 0.253 -12.623 -12.711 1.00 1.83 H new ATOM 0 HG22 ILE A 680 1.502 -13.284 -13.793 1.00 1.83 H new ATOM 0 HG23 ILE A 680 1.891 -12.939 -12.091 1.00 1.83 H new ATOM 0 HD11 ILE A 680 -0.238 -9.297 -11.195 1.00 0.61 H new ATOM 0 HD12 ILE A 680 -0.522 -9.615 -12.923 1.00 0.61 H new ATOM 0 HD13 ILE A 680 -0.545 -10.958 -11.756 1.00 0.61 H new ATOM 1723 N ILE A 681 3.971 -13.273 -14.528 1.00 0.42 N ATOM 1724 CA ILE A 681 4.612 -14.580 -14.421 1.00 0.40 C ATOM 1725 C ILE A 681 5.094 -15.088 -15.777 1.00 0.39 C ATOM 1726 O ILE A 681 4.355 -15.066 -16.761 1.00 0.39 O ATOM 1727 CB ILE A 681 3.662 -15.616 -13.779 1.00 0.40 C ATOM 1728 CG1 ILE A 681 4.450 -16.830 -13.285 1.00 1.01 C ATOM 1729 CG2 ILE A 681 2.576 -16.042 -14.755 1.00 0.92 C ATOM 1730 CD1 ILE A 681 4.121 -17.222 -11.862 1.00 1.20 C ATOM 0 H ILE A 681 3.569 -13.067 -15.443 1.00 0.42 H new ATOM 0 HA ILE A 681 5.482 -14.453 -13.777 1.00 0.40 H new ATOM 0 HB ILE A 681 3.177 -15.146 -12.923 1.00 0.40 H new ATOM 0 HG12 ILE A 681 4.249 -17.676 -13.942 1.00 1.01 H new ATOM 0 HG13 ILE A 681 5.516 -16.616 -13.358 1.00 1.01 H new ATOM 0 HG21 ILE A 681 1.922 -16.771 -14.276 1.00 0.92 H new ATOM 0 HG22 ILE A 681 1.992 -15.171 -15.052 1.00 0.92 H new ATOM 0 HG23 ILE A 681 3.034 -16.489 -15.637 1.00 0.92 H new ATOM 0 HD11 ILE A 681 4.716 -18.090 -11.577 1.00 1.20 H new ATOM 0 HD12 ILE A 681 4.348 -16.391 -11.194 1.00 1.20 H new ATOM 0 HD13 ILE A 681 3.062 -17.468 -11.788 1.00 1.20 H new ATOM 1742 N TRP A 682 6.339 -15.549 -15.818 1.00 0.43 N ATOM 1743 CA TRP A 682 6.924 -16.068 -17.048 1.00 0.45 C ATOM 1744 C TRP A 682 7.686 -17.365 -16.786 1.00 0.49 C ATOM 1745 O TRP A 682 8.614 -17.397 -15.977 1.00 0.56 O ATOM 1746 CB TRP A 682 7.858 -15.029 -17.672 1.00 0.49 C ATOM 1747 CG TRP A 682 8.494 -15.490 -18.948 1.00 0.51 C ATOM 1748 CD1 TRP A 682 8.059 -16.493 -19.765 1.00 0.50 C ATOM 1749 CD2 TRP A 682 9.682 -14.967 -19.551 1.00 0.58 C ATOM 1750 NE1 TRP A 682 8.903 -16.626 -20.840 1.00 0.54 N ATOM 1751 CE2 TRP A 682 9.908 -15.699 -20.731 1.00 0.59 C ATOM 1752 CE3 TRP A 682 10.577 -13.949 -19.208 1.00 0.65 C ATOM 1753 CZ2 TRP A 682 10.992 -15.446 -21.569 1.00 0.67 C ATOM 1754 CZ3 TRP A 682 11.651 -13.699 -20.040 1.00 0.74 C ATOM 1755 CH2 TRP A 682 11.851 -14.444 -21.209 1.00 0.75 C ATOM 0 H TRP A 682 6.963 -15.574 -15.012 1.00 0.43 H new ATOM 0 HA TRP A 682 6.113 -16.281 -17.744 1.00 0.45 H new ATOM 0 HB2 TRP A 682 7.296 -14.115 -17.864 1.00 0.49 H new ATOM 0 HB3 TRP A 682 8.640 -14.777 -16.955 1.00 0.49 H new ATOM 0 HD1 TRP A 682 7.179 -17.095 -19.591 1.00 0.50 H new ATOM 0 HE1 TRP A 682 8.799 -17.303 -21.596 1.00 0.54 H new ATOM 0 HE3 TRP A 682 10.431 -13.369 -18.309 1.00 0.65 H new ATOM 0 HZ2 TRP A 682 11.148 -16.020 -22.470 1.00 0.67 H new ATOM 0 HZ3 TRP A 682 12.349 -12.915 -19.785 1.00 0.74 H new ATOM 0 HH2 TRP A 682 12.700 -14.223 -21.839 1.00 0.75 H new ATOM 1766 N ASP A 683 7.295 -18.430 -17.478 1.00 0.49 N ATOM 1767 CA ASP A 683 7.949 -19.726 -17.320 1.00 0.56 C ATOM 1768 C ASP A 683 8.406 -20.270 -18.671 1.00 0.56 C ATOM 1769 O ASP A 683 7.591 -20.517 -19.559 1.00 0.55 O ATOM 1770 CB ASP A 683 7.000 -20.721 -16.648 1.00 0.61 C ATOM 1771 CG ASP A 683 7.266 -20.861 -15.162 1.00 0.85 C ATOM 1772 OD1 ASP A 683 7.143 -19.849 -14.440 1.00 1.68 O ATOM 1773 OD2 ASP A 683 7.595 -21.982 -14.721 1.00 1.28 O ATOM 0 H ASP A 683 6.530 -18.422 -18.153 1.00 0.49 H new ATOM 0 HA ASP A 683 8.826 -19.590 -16.687 1.00 0.56 H new ATOM 0 HB2 ASP A 683 5.971 -20.397 -16.801 1.00 0.61 H new ATOM 0 HB3 ASP A 683 7.102 -21.695 -17.126 1.00 0.61 H new ATOM 1778 N LYS A 684 9.714 -20.453 -18.817 1.00 0.62 N ATOM 1779 CA LYS A 684 10.283 -20.965 -20.058 1.00 0.66 C ATOM 1780 C LYS A 684 9.862 -22.409 -20.318 1.00 0.68 C ATOM 1781 O LYS A 684 9.461 -22.757 -21.428 1.00 0.70 O ATOM 1782 CB LYS A 684 11.802 -20.864 -20.021 1.00 0.75 C ATOM 1783 CG LYS A 684 12.381 -19.977 -21.111 1.00 0.81 C ATOM 1784 CD LYS A 684 13.885 -20.155 -21.233 1.00 1.33 C ATOM 1785 CE LYS A 684 14.476 -19.218 -22.273 1.00 1.74 C ATOM 1786 NZ LYS A 684 15.956 -19.353 -22.367 1.00 2.38 N ATOM 0 H LYS A 684 10.401 -20.254 -18.090 1.00 0.62 H new ATOM 0 HA LYS A 684 9.899 -20.353 -20.874 1.00 0.66 H new ATOM 0 HB2 LYS A 684 12.108 -20.477 -19.049 1.00 0.75 H new ATOM 0 HB3 LYS A 684 12.226 -21.864 -20.114 1.00 0.75 H new ATOM 0 HG2 LYS A 684 11.907 -20.213 -22.064 1.00 0.81 H new ATOM 0 HG3 LYS A 684 12.154 -18.934 -20.892 1.00 0.81 H new ATOM 0 HD2 LYS A 684 14.354 -19.969 -20.267 1.00 1.33 H new ATOM 0 HD3 LYS A 684 14.109 -21.187 -21.503 1.00 1.33 H new ATOM 0 HE2 LYS A 684 14.030 -19.428 -23.245 1.00 1.74 H new ATOM 0 HE3 LYS A 684 14.221 -18.189 -22.021 1.00 1.74 H new ATOM 0 HZ1 LYS A 684 16.319 -18.697 -23.087 1.00 2.38 H new ATOM 0 HZ2 LYS A 684 16.384 -19.128 -21.446 1.00 2.38 H new ATOM 0 HZ3 LYS A 684 16.199 -20.328 -22.633 1.00 2.38 H new ATOM 1800 N ASN A 685 9.964 -23.247 -19.290 1.00 0.71 N ATOM 1801 CA ASN A 685 9.604 -24.656 -19.414 1.00 0.76 C ATOM 1802 C ASN A 685 8.104 -24.866 -19.232 1.00 0.78 C ATOM 1803 O ASN A 685 7.491 -25.667 -19.939 1.00 0.81 O ATOM 1804 CB ASN A 685 10.373 -25.490 -18.387 1.00 0.88 C ATOM 1805 CG ASN A 685 11.683 -26.017 -18.933 1.00 1.56 C ATOM 1806 OD1 ASN A 685 12.228 -25.481 -19.899 1.00 2.15 O ATOM 1807 ND2 ASN A 685 12.200 -27.074 -18.317 1.00 2.28 N ATOM 0 H ASN A 685 10.292 -22.975 -18.363 1.00 0.71 H new ATOM 0 HA ASN A 685 9.873 -24.981 -20.419 1.00 0.76 H new ATOM 0 HB2 ASN A 685 10.569 -24.882 -17.504 1.00 0.88 H new ATOM 0 HB3 ASN A 685 9.753 -26.327 -18.066 1.00 0.88 H new ATOM 0 HD21 ASN A 685 13.081 -27.472 -18.641 1.00 2.28 H new ATOM 0 HD22 ASN A 685 11.716 -27.487 -17.520 1.00 2.28 H new ATOM 1814 N ASN A 686 7.521 -24.151 -18.278 1.00 0.80 N ATOM 1815 CA ASN A 686 6.093 -24.270 -18.002 1.00 0.88 C ATOM 1816 C ASN A 686 5.260 -23.541 -19.053 1.00 0.84 C ATOM 1817 O ASN A 686 4.054 -23.763 -19.162 1.00 0.98 O ATOM 1818 CB ASN A 686 5.775 -23.721 -16.610 1.00 0.96 C ATOM 1819 CG ASN A 686 4.761 -24.571 -15.871 1.00 1.15 C ATOM 1820 OD1 ASN A 686 4.858 -25.798 -15.854 1.00 1.71 O ATOM 1821 ND2 ASN A 686 3.780 -23.922 -15.254 1.00 1.62 N ATOM 0 H ASN A 686 8.013 -23.484 -17.683 1.00 0.80 H new ATOM 0 HA ASN A 686 5.834 -25.328 -18.039 1.00 0.88 H new ATOM 0 HB2 ASN A 686 6.694 -23.666 -16.026 1.00 0.96 H new ATOM 0 HB3 ASN A 686 5.394 -22.704 -16.702 1.00 0.96 H new ATOM 0 HD21 ASN A 686 3.069 -24.442 -14.740 1.00 1.62 H new ATOM 0 HD22 ASN A 686 3.738 -22.904 -15.294 1.00 1.62 H new ATOM 1828 N LYS A 687 5.902 -22.666 -19.823 1.00 0.73 N ATOM 1829 CA LYS A 687 5.206 -21.910 -20.856 1.00 0.76 C ATOM 1830 C LYS A 687 4.096 -21.060 -20.242 1.00 0.81 C ATOM 1831 O LYS A 687 3.092 -20.767 -20.891 1.00 0.94 O ATOM 1832 CB LYS A 687 4.619 -22.859 -21.903 1.00 0.92 C ATOM 1833 CG LYS A 687 5.455 -22.960 -23.169 1.00 1.38 C ATOM 1834 CD LYS A 687 5.076 -24.182 -23.990 1.00 1.82 C ATOM 1835 CE LYS A 687 5.061 -23.872 -25.478 1.00 2.36 C ATOM 1836 NZ LYS A 687 6.427 -23.604 -26.005 1.00 2.82 N ATOM 0 H LYS A 687 6.899 -22.465 -19.750 1.00 0.73 H new ATOM 0 HA LYS A 687 5.924 -21.249 -21.341 1.00 0.76 H new ATOM 0 HB2 LYS A 687 4.517 -23.852 -21.465 1.00 0.92 H new ATOM 0 HB3 LYS A 687 3.616 -22.522 -22.166 1.00 0.92 H new ATOM 0 HG2 LYS A 687 5.319 -22.060 -23.769 1.00 1.38 H new ATOM 0 HG3 LYS A 687 6.512 -23.010 -22.906 1.00 1.38 H new ATOM 0 HD2 LYS A 687 5.783 -24.988 -23.792 1.00 1.82 H new ATOM 0 HD3 LYS A 687 4.093 -24.538 -23.682 1.00 1.82 H new ATOM 0 HE2 LYS A 687 4.622 -24.710 -26.019 1.00 2.36 H new ATOM 0 HE3 LYS A 687 4.425 -23.006 -25.662 1.00 2.36 H new ATOM 0 HZ1 LYS A 687 6.372 -23.397 -27.023 1.00 2.82 H new ATOM 0 HZ2 LYS A 687 6.837 -22.788 -25.507 1.00 2.82 H new ATOM 0 HZ3 LYS A 687 7.028 -24.439 -25.854 1.00 2.82 H new ATOM 1850 N PHE A 688 4.287 -20.668 -18.986 1.00 0.77 N ATOM 1851 CA PHE A 688 3.306 -19.853 -18.281 1.00 0.87 C ATOM 1852 C PHE A 688 3.632 -18.372 -18.429 1.00 0.60 C ATOM 1853 O PHE A 688 4.570 -17.868 -17.813 1.00 0.59 O ATOM 1854 CB PHE A 688 3.267 -20.235 -16.800 1.00 1.17 C ATOM 1855 CG PHE A 688 1.877 -20.310 -16.235 1.00 0.76 C ATOM 1856 CD1 PHE A 688 1.141 -19.157 -16.016 1.00 1.26 C ATOM 1857 CD2 PHE A 688 1.309 -21.534 -15.921 1.00 1.33 C ATOM 1858 CE1 PHE A 688 -0.137 -19.223 -15.495 1.00 1.42 C ATOM 1859 CE2 PHE A 688 0.031 -21.606 -15.398 1.00 1.83 C ATOM 1860 CZ PHE A 688 -0.693 -20.449 -15.186 1.00 1.61 C ATOM 0 H PHE A 688 5.113 -20.902 -18.436 1.00 0.77 H new ATOM 0 HA PHE A 688 2.326 -20.038 -18.721 1.00 0.87 H new ATOM 0 HB2 PHE A 688 3.756 -21.200 -16.669 1.00 1.17 H new ATOM 0 HB3 PHE A 688 3.843 -19.506 -16.230 1.00 1.17 H new ATOM 0 HD1 PHE A 688 1.571 -18.196 -16.255 1.00 1.26 H new ATOM 0 HD2 PHE A 688 1.870 -22.442 -16.086 1.00 1.33 H new ATOM 0 HE1 PHE A 688 -0.701 -18.317 -15.330 1.00 1.42 H new ATOM 0 HE2 PHE A 688 -0.401 -22.566 -15.156 1.00 1.83 H new ATOM 0 HZ PHE A 688 -1.692 -20.503 -14.779 1.00 1.61 H new ATOM 1870 N VAL A 689 2.853 -17.681 -19.254 1.00 0.55 N ATOM 1871 CA VAL A 689 3.063 -16.259 -19.487 1.00 0.44 C ATOM 1872 C VAL A 689 1.834 -15.447 -19.099 1.00 0.41 C ATOM 1873 O VAL A 689 0.727 -15.713 -19.567 1.00 0.52 O ATOM 1874 CB VAL A 689 3.400 -15.980 -20.963 1.00 0.63 C ATOM 1875 CG1 VAL A 689 4.833 -16.386 -21.271 1.00 1.33 C ATOM 1876 CG2 VAL A 689 2.425 -16.703 -21.880 1.00 1.04 C ATOM 0 H VAL A 689 2.071 -18.083 -19.772 1.00 0.55 H new ATOM 0 HA VAL A 689 3.904 -15.958 -18.862 1.00 0.44 H new ATOM 0 HB VAL A 689 3.304 -14.909 -21.141 1.00 0.63 H new ATOM 0 HG11 VAL A 689 5.052 -16.181 -22.319 1.00 1.33 H new ATOM 0 HG12 VAL A 689 5.516 -15.818 -20.640 1.00 1.33 H new ATOM 0 HG13 VAL A 689 4.960 -17.451 -21.075 1.00 1.33 H new ATOM 0 HG21 VAL A 689 2.679 -16.494 -22.919 1.00 1.04 H new ATOM 0 HG22 VAL A 689 2.485 -17.777 -21.701 1.00 1.04 H new ATOM 0 HG23 VAL A 689 1.411 -16.358 -21.678 1.00 1.04 H new ATOM 1886 N ILE A 690 2.038 -14.449 -18.246 1.00 0.41 N ATOM 1887 CA ILE A 690 0.952 -13.587 -17.799 1.00 0.41 C ATOM 1888 C ILE A 690 1.318 -12.121 -17.997 1.00 0.44 C ATOM 1889 O ILE A 690 2.497 -11.769 -18.052 1.00 0.68 O ATOM 1890 CB ILE A 690 0.604 -13.835 -16.316 1.00 0.49 C ATOM 1891 CG1 ILE A 690 0.072 -15.254 -16.130 1.00 1.04 C ATOM 1892 CG2 ILE A 690 -0.419 -12.818 -15.822 1.00 0.88 C ATOM 1893 CD1 ILE A 690 -1.225 -15.509 -16.860 1.00 1.44 C ATOM 0 H ILE A 690 2.949 -14.217 -17.850 1.00 0.41 H new ATOM 0 HA ILE A 690 0.077 -13.828 -18.402 1.00 0.41 H new ATOM 0 HB ILE A 690 1.513 -13.719 -15.726 1.00 0.49 H new ATOM 0 HG12 ILE A 690 0.822 -15.964 -16.479 1.00 1.04 H new ATOM 0 HG13 ILE A 690 -0.075 -15.442 -15.067 1.00 1.04 H new ATOM 0 HG21 ILE A 690 -0.649 -13.013 -14.774 1.00 0.88 H new ATOM 0 HG22 ILE A 690 -0.011 -11.812 -15.923 1.00 0.88 H new ATOM 0 HG23 ILE A 690 -1.330 -12.901 -16.415 1.00 0.88 H new ATOM 0 HD11 ILE A 690 -1.546 -16.536 -16.684 1.00 1.44 H new ATOM 0 HD12 ILE A 690 -1.989 -14.823 -16.495 1.00 1.44 H new ATOM 0 HD13 ILE A 690 -1.078 -15.353 -17.929 1.00 1.44 H new ATOM 1905 N GLY A 691 0.306 -11.270 -18.104 1.00 0.35 N ATOM 1906 CA GLY A 691 0.552 -9.857 -18.295 1.00 0.36 C ATOM 1907 C GLY A 691 -0.688 -9.099 -18.715 1.00 0.28 C ATOM 1908 O GLY A 691 -1.583 -9.653 -19.357 1.00 0.26 O ATOM 0 H GLY A 691 -0.678 -11.534 -18.062 1.00 0.35 H new ATOM 0 HA2 GLY A 691 0.937 -9.431 -17.368 1.00 0.36 H new ATOM 0 HA3 GLY A 691 1.326 -9.726 -19.051 1.00 0.36 H new ATOM 1912 N PHE A 692 -0.745 -7.827 -18.346 1.00 0.31 N ATOM 1913 CA PHE A 692 -1.883 -6.983 -18.683 1.00 0.29 C ATOM 1914 C PHE A 692 -1.400 -5.620 -19.161 1.00 0.28 C ATOM 1915 O PHE A 692 -0.288 -5.203 -18.842 1.00 0.38 O ATOM 1916 CB PHE A 692 -2.816 -6.815 -17.474 1.00 0.38 C ATOM 1917 CG PHE A 692 -2.631 -7.851 -16.398 1.00 0.31 C ATOM 1918 CD1 PHE A 692 -2.724 -9.203 -16.689 1.00 0.65 C ATOM 1919 CD2 PHE A 692 -2.365 -7.471 -15.092 1.00 0.86 C ATOM 1920 CE1 PHE A 692 -2.554 -10.154 -15.705 1.00 0.60 C ATOM 1921 CE2 PHE A 692 -2.194 -8.420 -14.103 1.00 1.05 C ATOM 1922 CZ PHE A 692 -2.288 -9.764 -14.412 1.00 0.63 C ATOM 0 H PHE A 692 -0.015 -7.356 -17.812 1.00 0.31 H new ATOM 0 HA PHE A 692 -2.442 -7.466 -19.484 1.00 0.29 H new ATOM 0 HB2 PHE A 692 -2.657 -5.827 -17.042 1.00 0.38 H new ATOM 0 HB3 PHE A 692 -3.849 -6.848 -17.820 1.00 0.38 H new ATOM 0 HD1 PHE A 692 -2.933 -9.516 -17.701 1.00 0.65 H new ATOM 0 HD2 PHE A 692 -2.291 -6.422 -14.845 1.00 0.86 H new ATOM 0 HE1 PHE A 692 -2.629 -11.203 -15.949 1.00 0.60 H new ATOM 0 HE2 PHE A 692 -1.987 -8.112 -13.089 1.00 1.05 H new ATOM 0 HZ PHE A 692 -2.153 -10.507 -13.640 1.00 0.63 H new ATOM 1932 N LYS A 693 -2.235 -4.930 -19.929 1.00 0.26 N ATOM 1933 CA LYS A 693 -1.875 -3.618 -20.454 1.00 0.28 C ATOM 1934 C LYS A 693 -2.538 -2.496 -19.660 1.00 0.25 C ATOM 1935 O LYS A 693 -3.764 -2.397 -19.608 1.00 0.25 O ATOM 1936 CB LYS A 693 -2.272 -3.514 -21.927 1.00 0.33 C ATOM 1937 CG LYS A 693 -1.430 -2.522 -22.714 1.00 0.46 C ATOM 1938 CD LYS A 693 -1.134 -3.032 -24.117 1.00 0.78 C ATOM 1939 CE LYS A 693 -1.466 -1.987 -25.171 1.00 1.17 C ATOM 1940 NZ LYS A 693 -0.958 -0.638 -24.797 1.00 1.69 N ATOM 0 H LYS A 693 -3.163 -5.255 -20.201 1.00 0.26 H new ATOM 0 HA LYS A 693 -0.795 -3.507 -20.359 1.00 0.28 H new ATOM 0 HB2 LYS A 693 -2.186 -4.498 -22.388 1.00 0.33 H new ATOM 0 HB3 LYS A 693 -3.320 -3.221 -21.993 1.00 0.33 H new ATOM 0 HG2 LYS A 693 -1.953 -1.568 -22.775 1.00 0.46 H new ATOM 0 HG3 LYS A 693 -0.494 -2.339 -22.187 1.00 0.46 H new ATOM 0 HD2 LYS A 693 -0.081 -3.304 -24.192 1.00 0.78 H new ATOM 0 HD3 LYS A 693 -1.711 -3.937 -24.306 1.00 0.78 H new ATOM 0 HE2 LYS A 693 -1.034 -2.285 -26.126 1.00 1.17 H new ATOM 0 HE3 LYS A 693 -2.546 -1.942 -25.310 1.00 1.17 H new ATOM 0 HZ1 LYS A 693 -0.733 -0.101 -25.659 1.00 1.69 H new ATOM 0 HZ2 LYS A 693 -1.685 -0.132 -24.253 1.00 1.69 H new ATOM 0 HZ3 LYS A 693 -0.100 -0.738 -24.218 1.00 1.69 H new ATOM 1954 N VAL A 694 -1.714 -1.643 -19.056 1.00 0.25 N ATOM 1955 CA VAL A 694 -2.216 -0.516 -18.280 1.00 0.23 C ATOM 1956 C VAL A 694 -2.690 0.598 -19.209 1.00 0.26 C ATOM 1957 O VAL A 694 -1.898 1.173 -19.957 1.00 0.31 O ATOM 1958 CB VAL A 694 -1.137 0.018 -17.304 1.00 0.25 C ATOM 1959 CG1 VAL A 694 -0.955 1.526 -17.427 1.00 0.34 C ATOM 1960 CG2 VAL A 694 -1.495 -0.362 -15.875 1.00 0.28 C ATOM 0 H VAL A 694 -0.697 -1.712 -19.090 1.00 0.25 H new ATOM 0 HA VAL A 694 -3.062 -0.865 -17.688 1.00 0.23 H new ATOM 0 HB VAL A 694 -0.187 -0.444 -17.572 1.00 0.25 H new ATOM 0 HG11 VAL A 694 -0.190 1.859 -16.726 1.00 0.34 H new ATOM 0 HG12 VAL A 694 -0.648 1.774 -18.443 1.00 0.34 H new ATOM 0 HG13 VAL A 694 -1.897 2.026 -17.200 1.00 0.34 H new ATOM 0 HG21 VAL A 694 -0.732 0.017 -15.196 1.00 0.28 H new ATOM 0 HG22 VAL A 694 -2.460 0.072 -15.614 1.00 0.28 H new ATOM 0 HG23 VAL A 694 -1.550 -1.447 -15.790 1.00 0.28 H new ATOM 1970 N GLU A 695 -3.984 0.891 -19.155 1.00 0.25 N ATOM 1971 CA GLU A 695 -4.570 1.932 -19.988 1.00 0.27 C ATOM 1972 C GLU A 695 -5.273 2.974 -19.127 1.00 0.24 C ATOM 1973 O GLU A 695 -6.307 2.699 -18.523 1.00 0.22 O ATOM 1974 CB GLU A 695 -5.563 1.320 -20.977 1.00 0.32 C ATOM 1975 CG GLU A 695 -5.014 1.205 -22.386 1.00 0.70 C ATOM 1976 CD GLU A 695 -5.245 2.459 -23.207 1.00 1.23 C ATOM 1977 OE1 GLU A 695 -6.209 3.193 -22.907 1.00 2.00 O ATOM 1978 OE2 GLU A 695 -4.461 2.705 -24.148 1.00 1.84 O ATOM 0 H GLU A 695 -4.648 0.420 -18.541 1.00 0.25 H new ATOM 0 HA GLU A 695 -3.769 2.420 -20.543 1.00 0.27 H new ATOM 0 HB2 GLU A 695 -5.852 0.330 -20.625 1.00 0.32 H new ATOM 0 HB3 GLU A 695 -6.468 1.928 -20.996 1.00 0.32 H new ATOM 0 HG2 GLU A 695 -3.945 0.998 -22.339 1.00 0.70 H new ATOM 0 HG3 GLU A 695 -5.482 0.357 -22.886 1.00 0.70 H new ATOM 1985 N ILE A 696 -4.707 4.172 -19.079 1.00 0.26 N ATOM 1986 CA ILE A 696 -5.283 5.255 -18.293 1.00 0.24 C ATOM 1987 C ILE A 696 -6.270 6.065 -19.120 1.00 0.25 C ATOM 1988 O ILE A 696 -5.877 6.853 -19.981 1.00 0.31 O ATOM 1989 CB ILE A 696 -4.190 6.193 -17.744 1.00 0.27 C ATOM 1990 CG1 ILE A 696 -3.013 5.381 -17.196 1.00 0.35 C ATOM 1991 CG2 ILE A 696 -4.763 7.099 -16.664 1.00 0.27 C ATOM 1992 CD1 ILE A 696 -1.786 6.217 -16.912 1.00 0.40 C ATOM 0 H ILE A 696 -3.850 4.419 -19.574 1.00 0.26 H new ATOM 0 HA ILE A 696 -5.808 4.797 -17.455 1.00 0.24 H new ATOM 0 HB ILE A 696 -3.826 6.817 -18.561 1.00 0.27 H new ATOM 0 HG12 ILE A 696 -3.323 4.881 -16.279 1.00 0.35 H new ATOM 0 HG13 ILE A 696 -2.754 4.601 -17.913 1.00 0.35 H new ATOM 0 HG21 ILE A 696 -3.979 7.755 -16.286 1.00 0.27 H new ATOM 0 HG22 ILE A 696 -5.569 7.701 -17.084 1.00 0.27 H new ATOM 0 HG23 ILE A 696 -5.152 6.491 -15.847 1.00 0.27 H new ATOM 0 HD11 ILE A 696 -0.992 5.578 -16.527 1.00 0.40 H new ATOM 0 HD12 ILE A 696 -1.452 6.697 -17.832 1.00 0.40 H new ATOM 0 HD13 ILE A 696 -2.029 6.980 -16.172 1.00 0.40 H new ATOM 2004 N ASN A 697 -7.554 5.871 -18.847 1.00 0.25 N ATOM 2005 CA ASN A 697 -8.600 6.590 -19.560 1.00 0.28 C ATOM 2006 C ASN A 697 -8.840 7.942 -18.908 1.00 0.28 C ATOM 2007 O ASN A 697 -8.962 8.960 -19.587 1.00 0.31 O ATOM 2008 CB ASN A 697 -9.894 5.774 -19.576 1.00 0.29 C ATOM 2009 CG ASN A 697 -10.029 4.929 -20.827 1.00 0.62 C ATOM 2010 OD1 ASN A 697 -11.081 4.907 -21.467 1.00 1.42 O ATOM 2011 ND2 ASN A 697 -8.959 4.227 -21.184 1.00 0.32 N ATOM 0 H ASN A 697 -7.895 5.222 -18.138 1.00 0.25 H new ATOM 0 HA ASN A 697 -8.277 6.746 -20.589 1.00 0.28 H new ATOM 0 HB2 ASN A 697 -9.923 5.127 -18.699 1.00 0.29 H new ATOM 0 HB3 ASN A 697 -10.747 6.449 -19.503 1.00 0.29 H new ATOM 0 HD21 ASN A 697 -8.989 3.640 -22.018 1.00 0.32 H new ATOM 0 HD22 ASN A 697 -8.108 4.275 -20.624 1.00 0.32 H new ATOM 2018 N ASP A 698 -8.893 7.942 -17.581 1.00 0.27 N ATOM 2019 CA ASP A 698 -9.104 9.168 -16.830 1.00 0.29 C ATOM 2020 C ASP A 698 -7.851 9.564 -16.080 1.00 0.29 C ATOM 2021 O ASP A 698 -7.180 8.725 -15.481 1.00 0.29 O ATOM 2022 CB ASP A 698 -10.259 9.002 -15.848 1.00 0.30 C ATOM 2023 CG ASP A 698 -11.299 8.002 -16.319 1.00 0.35 C ATOM 2024 OD1 ASP A 698 -10.946 6.818 -16.504 1.00 1.13 O ATOM 2025 OD2 ASP A 698 -12.468 8.403 -16.502 1.00 1.16 O ATOM 0 H ASP A 698 -8.793 7.106 -17.006 1.00 0.27 H new ATOM 0 HA ASP A 698 -9.351 9.957 -17.541 1.00 0.29 H new ATOM 0 HB2 ASP A 698 -9.865 8.681 -14.884 1.00 0.30 H new ATOM 0 HB3 ASP A 698 -10.737 9.969 -15.691 1.00 0.30 H new ATOM 2030 N THR A 699 -7.561 10.857 -16.085 1.00 0.32 N ATOM 2031 CA THR A 699 -6.420 11.364 -15.372 1.00 0.35 C ATOM 2032 C THR A 699 -6.903 12.246 -14.238 1.00 0.39 C ATOM 2033 O THR A 699 -7.203 13.425 -14.421 1.00 0.42 O ATOM 2034 CB THR A 699 -5.469 12.158 -16.294 1.00 0.36 C ATOM 2035 OG1 THR A 699 -5.901 13.519 -16.410 1.00 0.54 O ATOM 2036 CG2 THR A 699 -5.400 11.528 -17.676 1.00 0.51 C ATOM 0 H THR A 699 -8.105 11.566 -16.577 1.00 0.32 H new ATOM 0 HA THR A 699 -5.855 10.518 -14.980 1.00 0.35 H new ATOM 0 HB THR A 699 -4.475 12.134 -15.846 1.00 0.36 H new ATOM 0 HG1 THR A 699 -6.816 13.602 -16.068 1.00 0.54 H new ATOM 0 HG21 THR A 699 -4.724 12.106 -18.306 1.00 0.51 H new ATOM 0 HG22 THR A 699 -5.032 10.505 -17.592 1.00 0.51 H new ATOM 0 HG23 THR A 699 -6.394 11.520 -18.122 1.00 0.51 H new ATOM 2044 N THR A 700 -6.976 11.652 -13.069 1.00 0.41 N ATOM 2045 CA THR A 700 -7.422 12.359 -11.875 1.00 0.47 C ATOM 2046 C THR A 700 -6.401 13.414 -11.465 1.00 0.58 C ATOM 2047 O THR A 700 -5.732 13.283 -10.440 1.00 0.66 O ATOM 2048 CB THR A 700 -7.661 11.395 -10.698 1.00 0.48 C ATOM 2049 OG1 THR A 700 -7.911 12.137 -9.499 1.00 1.33 O ATOM 2050 CG2 THR A 700 -6.460 10.484 -10.492 1.00 1.50 C ATOM 0 H THR A 700 -6.732 10.674 -12.912 1.00 0.41 H new ATOM 0 HA THR A 700 -8.368 12.842 -12.122 1.00 0.47 H new ATOM 0 HB THR A 700 -8.530 10.780 -10.933 1.00 0.48 H new ATOM 0 HG1 THR A 700 -7.089 12.589 -9.216 1.00 1.33 H new ATOM 0 HG21 THR A 700 -6.652 9.812 -9.655 1.00 1.50 H new ATOM 0 HG22 THR A 700 -6.288 9.899 -11.395 1.00 1.50 H new ATOM 0 HG23 THR A 700 -5.578 11.088 -10.277 1.00 1.50 H new ATOM 2275 N VAL A 715 13.033 2.349 -14.216 1.00 0.65 N ATOM 2276 CA VAL A 715 13.888 1.855 -13.149 1.00 0.58 C ATOM 2277 C VAL A 715 13.040 1.300 -12.013 1.00 0.53 C ATOM 2278 O VAL A 715 11.986 1.849 -11.689 1.00 0.54 O ATOM 2279 CB VAL A 715 14.808 2.957 -12.594 1.00 0.65 C ATOM 2280 CG1 VAL A 715 15.987 3.190 -13.527 1.00 0.71 C ATOM 2281 CG2 VAL A 715 14.028 4.245 -12.372 1.00 0.73 C ATOM 0 HA VAL A 715 14.511 1.068 -13.574 1.00 0.58 H new ATOM 0 HB VAL A 715 15.198 2.627 -11.631 1.00 0.65 H new ATOM 0 HG11 VAL A 715 16.626 3.973 -13.118 1.00 0.71 H new ATOM 0 HG12 VAL A 715 16.560 2.268 -13.626 1.00 0.71 H new ATOM 0 HG13 VAL A 715 15.621 3.496 -14.507 1.00 0.71 H new ATOM 0 HG21 VAL A 715 14.696 5.012 -11.979 1.00 0.73 H new ATOM 0 HG22 VAL A 715 13.605 4.582 -13.318 1.00 0.73 H new ATOM 0 HG23 VAL A 715 13.224 4.065 -11.659 1.00 0.73 H new ATOM 2291 N VAL A 716 13.493 0.205 -11.419 1.00 0.51 N ATOM 2292 CA VAL A 716 12.759 -0.424 -10.329 1.00 0.47 C ATOM 2293 C VAL A 716 13.159 0.163 -8.978 1.00 0.47 C ATOM 2294 O VAL A 716 14.344 0.262 -8.660 1.00 0.52 O ATOM 2295 CB VAL A 716 12.985 -1.950 -10.301 1.00 0.45 C ATOM 2296 CG1 VAL A 716 12.242 -2.586 -9.132 1.00 0.41 C ATOM 2297 CG2 VAL A 716 12.556 -2.579 -11.619 1.00 0.52 C ATOM 0 H VAL A 716 14.362 -0.265 -11.672 1.00 0.51 H new ATOM 0 HA VAL A 716 11.703 -0.224 -10.509 1.00 0.47 H new ATOM 0 HB VAL A 716 14.051 -2.134 -10.165 1.00 0.45 H new ATOM 0 HG11 VAL A 716 12.416 -3.662 -9.132 1.00 0.41 H new ATOM 0 HG12 VAL A 716 12.604 -2.160 -8.196 1.00 0.41 H new ATOM 0 HG13 VAL A 716 11.174 -2.391 -9.230 1.00 0.41 H new ATOM 0 HG21 VAL A 716 12.723 -3.655 -11.580 1.00 0.52 H new ATOM 0 HG22 VAL A 716 11.497 -2.382 -11.789 1.00 0.52 H new ATOM 0 HG23 VAL A 716 13.140 -2.151 -12.434 1.00 0.52 H new ATOM 2307 N LEU A 717 12.163 0.541 -8.183 1.00 0.46 N ATOM 2308 CA LEU A 717 12.410 1.106 -6.861 1.00 0.48 C ATOM 2309 C LEU A 717 11.976 0.127 -5.774 1.00 0.43 C ATOM 2310 O LEU A 717 11.367 -0.902 -6.063 1.00 0.43 O ATOM 2311 CB LEU A 717 11.667 2.434 -6.697 1.00 0.54 C ATOM 2312 CG LEU A 717 11.741 3.372 -7.905 1.00 0.77 C ATOM 2313 CD1 LEU A 717 10.529 3.179 -8.804 1.00 1.24 C ATOM 2314 CD2 LEU A 717 11.842 4.821 -7.450 1.00 1.05 C ATOM 0 H LEU A 717 11.177 0.466 -8.431 1.00 0.46 H new ATOM 0 HA LEU A 717 13.480 1.290 -6.762 1.00 0.48 H new ATOM 0 HB2 LEU A 717 10.619 2.223 -6.484 1.00 0.54 H new ATOM 0 HB3 LEU A 717 12.070 2.953 -5.828 1.00 0.54 H new ATOM 0 HG LEU A 717 12.636 3.128 -8.476 1.00 0.77 H new ATOM 0 HD11 LEU A 717 10.598 3.853 -9.657 1.00 1.24 H new ATOM 0 HD12 LEU A 717 10.499 2.148 -9.157 1.00 1.24 H new ATOM 0 HD13 LEU A 717 9.621 3.397 -8.242 1.00 1.24 H new ATOM 0 HD21 LEU A 717 11.894 5.473 -8.322 1.00 1.05 H new ATOM 0 HD22 LEU A 717 10.965 5.078 -6.856 1.00 1.05 H new ATOM 0 HD23 LEU A 717 12.740 4.951 -6.846 1.00 1.05 H new ATOM 2326 N LYS A 718 12.295 0.447 -4.524 1.00 0.47 N ATOM 2327 CA LYS A 718 11.934 -0.417 -3.403 1.00 0.44 C ATOM 2328 C LYS A 718 10.746 0.148 -2.627 1.00 0.45 C ATOM 2329 O LYS A 718 10.498 1.354 -2.644 1.00 0.52 O ATOM 2330 CB LYS A 718 13.131 -0.602 -2.468 1.00 0.49 C ATOM 2331 CG LYS A 718 13.357 -2.048 -2.055 1.00 0.73 C ATOM 2332 CD LYS A 718 14.482 -2.166 -1.041 1.00 1.24 C ATOM 2333 CE LYS A 718 15.045 -3.578 -0.995 1.00 1.88 C ATOM 2334 NZ LYS A 718 16.523 -3.581 -0.817 1.00 2.89 N ATOM 0 H LYS A 718 12.800 1.293 -4.261 1.00 0.47 H new ATOM 0 HA LYS A 718 11.644 -1.386 -3.809 1.00 0.44 H new ATOM 0 HB2 LYS A 718 14.029 -0.228 -2.961 1.00 0.49 H new ATOM 0 HB3 LYS A 718 12.982 0.004 -1.575 1.00 0.49 H new ATOM 0 HG2 LYS A 718 12.439 -2.454 -1.631 1.00 0.73 H new ATOM 0 HG3 LYS A 718 13.594 -2.646 -2.935 1.00 0.73 H new ATOM 0 HD2 LYS A 718 15.277 -1.464 -1.294 1.00 1.24 H new ATOM 0 HD3 LYS A 718 14.114 -1.888 -0.054 1.00 1.24 H new ATOM 0 HE2 LYS A 718 14.580 -4.128 -0.177 1.00 1.88 H new ATOM 0 HE3 LYS A 718 14.789 -4.101 -1.917 1.00 1.88 H new ATOM 0 HZ1 LYS A 718 16.867 -4.562 -0.791 1.00 2.89 H new ATOM 0 HZ2 LYS A 718 16.969 -3.078 -1.611 1.00 2.89 H new ATOM 0 HZ3 LYS A 718 16.766 -3.105 0.075 1.00 2.89 H new ATOM 2348 N GLN A 719 10.020 -0.732 -1.942 1.00 0.45 N ATOM 2349 CA GLN A 719 8.863 -0.324 -1.151 1.00 0.48 C ATOM 2350 C GLN A 719 9.245 -0.152 0.316 1.00 0.51 C ATOM 2351 O GLN A 719 10.264 -0.677 0.765 1.00 0.54 O ATOM 2352 CB GLN A 719 7.733 -1.351 -1.287 1.00 0.51 C ATOM 2353 CG GLN A 719 8.010 -2.669 -0.578 1.00 0.78 C ATOM 2354 CD GLN A 719 6.773 -3.540 -0.464 1.00 0.91 C ATOM 2355 OE1 GLN A 719 6.374 -3.931 0.633 1.00 1.18 O ATOM 2356 NE2 GLN A 719 6.160 -3.849 -1.601 1.00 1.00 N ATOM 0 H GLN A 719 10.213 -1.733 -1.919 1.00 0.45 H new ATOM 0 HA GLN A 719 8.512 0.636 -1.531 1.00 0.48 H new ATOM 0 HB2 GLN A 719 6.814 -0.921 -0.888 1.00 0.51 H new ATOM 0 HB3 GLN A 719 7.560 -1.548 -2.345 1.00 0.51 H new ATOM 0 HG2 GLN A 719 8.784 -3.213 -1.119 1.00 0.78 H new ATOM 0 HG3 GLN A 719 8.400 -2.466 0.419 1.00 0.78 H new ATOM 0 HE21 GLN A 719 6.526 -3.503 -2.488 1.00 1.00 H new ATOM 0 HE22 GLN A 719 5.323 -4.432 -1.587 1.00 1.00 H new ATOM 2365 N THR A 720 8.425 0.585 1.057 1.00 0.53 N ATOM 2366 CA THR A 720 8.686 0.822 2.473 1.00 0.58 C ATOM 2367 C THR A 720 7.505 0.398 3.336 1.00 0.56 C ATOM 2368 O THR A 720 6.537 -0.181 2.844 1.00 0.49 O ATOM 2369 CB THR A 720 8.999 2.305 2.745 1.00 0.64 C ATOM 2370 OG1 THR A 720 7.808 3.090 2.609 1.00 0.73 O ATOM 2371 CG2 THR A 720 10.062 2.819 1.785 1.00 0.86 C ATOM 0 H THR A 720 7.577 1.027 0.703 1.00 0.53 H new ATOM 0 HA THR A 720 9.555 0.218 2.736 1.00 0.58 H new ATOM 0 HB THR A 720 9.378 2.392 3.763 1.00 0.64 H new ATOM 0 HG1 THR A 720 7.271 2.743 1.866 1.00 0.73 H new ATOM 0 HG21 THR A 720 10.266 3.869 1.996 1.00 0.86 H new ATOM 0 HG22 THR A 720 10.976 2.239 1.910 1.00 0.86 H new ATOM 0 HG23 THR A 720 9.706 2.718 0.760 1.00 0.86 H new ATOM 2379 N ALA A 721 7.593 0.691 4.631 1.00 0.62 N ATOM 2380 CA ALA A 721 6.534 0.340 5.570 1.00 0.62 C ATOM 2381 C ALA A 721 5.187 0.877 5.099 1.00 0.57 C ATOM 2382 O ALA A 721 4.143 0.287 5.375 1.00 0.54 O ATOM 2383 CB ALA A 721 6.862 0.874 6.957 1.00 0.71 C ATOM 0 H ALA A 721 8.388 1.171 5.053 1.00 0.62 H new ATOM 0 HA ALA A 721 6.467 -0.747 5.618 1.00 0.62 H new ATOM 0 HB1 ALA A 721 6.064 0.605 7.649 1.00 0.71 H new ATOM 0 HB2 ALA A 721 7.801 0.441 7.301 1.00 0.71 H new ATOM 0 HB3 ALA A 721 6.957 1.959 6.916 1.00 0.71 H new ATOM 2389 N GLU A 722 5.221 1.995 4.383 1.00 0.57 N ATOM 2390 CA GLU A 722 4.003 2.604 3.867 1.00 0.54 C ATOM 2391 C GLU A 722 3.284 1.645 2.924 1.00 0.46 C ATOM 2392 O GLU A 722 2.072 1.457 3.020 1.00 0.44 O ATOM 2393 CB GLU A 722 4.328 3.913 3.142 1.00 0.59 C ATOM 2394 CG GLU A 722 3.851 5.152 3.881 1.00 1.09 C ATOM 2395 CD GLU A 722 2.761 5.896 3.134 1.00 1.73 C ATOM 2396 OE1 GLU A 722 2.978 6.235 1.951 1.00 2.52 O ATOM 2397 OE2 GLU A 722 1.691 6.140 3.731 1.00 2.21 O ATOM 0 H GLU A 722 6.077 2.497 4.147 1.00 0.57 H new ATOM 0 HA GLU A 722 3.345 2.823 4.708 1.00 0.54 H new ATOM 0 HB2 GLU A 722 5.406 3.980 2.996 1.00 0.59 H new ATOM 0 HB3 GLU A 722 3.873 3.893 2.152 1.00 0.59 H new ATOM 0 HG2 GLU A 722 3.480 4.863 4.864 1.00 1.09 H new ATOM 0 HG3 GLU A 722 4.696 5.821 4.043 1.00 1.09 H new ATOM 2404 N GLU A 723 4.044 1.038 2.017 1.00 0.45 N ATOM 2405 CA GLU A 723 3.483 0.093 1.059 1.00 0.39 C ATOM 2406 C GLU A 723 3.006 -1.174 1.763 1.00 0.35 C ATOM 2407 O GLU A 723 1.888 -1.641 1.536 1.00 0.31 O ATOM 2408 CB GLU A 723 4.524 -0.262 -0.004 1.00 0.41 C ATOM 2409 CG GLU A 723 4.623 0.761 -1.124 1.00 0.79 C ATOM 2410 CD GLU A 723 5.685 1.811 -0.861 1.00 1.24 C ATOM 2411 OE1 GLU A 723 6.000 2.053 0.322 1.00 1.65 O ATOM 2412 OE2 GLU A 723 6.200 2.391 -1.841 1.00 2.04 O ATOM 0 H GLU A 723 5.049 1.184 1.926 1.00 0.45 H new ATOM 0 HA GLU A 723 2.626 0.564 0.577 1.00 0.39 H new ATOM 0 HB2 GLU A 723 5.499 -0.362 0.473 1.00 0.41 H new ATOM 0 HB3 GLU A 723 4.278 -1.234 -0.432 1.00 0.41 H new ATOM 0 HG2 GLU A 723 4.847 0.249 -2.060 1.00 0.79 H new ATOM 0 HG3 GLU A 723 3.657 1.250 -1.251 1.00 0.79 H new ATOM 2419 N LYS A 724 3.860 -1.728 2.619 1.00 0.40 N ATOM 2420 CA LYS A 724 3.527 -2.943 3.356 1.00 0.39 C ATOM 2421 C LYS A 724 2.241 -2.764 4.160 1.00 0.36 C ATOM 2422 O LYS A 724 1.471 -3.708 4.339 1.00 0.36 O ATOM 2423 CB LYS A 724 4.674 -3.328 4.291 1.00 0.47 C ATOM 2424 CG LYS A 724 4.734 -4.815 4.600 1.00 0.98 C ATOM 2425 CD LYS A 724 6.001 -5.175 5.360 1.00 1.52 C ATOM 2426 CE LYS A 724 5.807 -5.037 6.861 1.00 2.10 C ATOM 2427 NZ LYS A 724 6.586 -6.056 7.618 1.00 2.63 N ATOM 0 H LYS A 724 4.788 -1.355 2.819 1.00 0.40 H new ATOM 0 HA LYS A 724 3.371 -3.742 2.631 1.00 0.39 H new ATOM 0 HB2 LYS A 724 5.618 -3.021 3.840 1.00 0.47 H new ATOM 0 HB3 LYS A 724 4.572 -2.775 5.225 1.00 0.47 H new ATOM 0 HG2 LYS A 724 3.862 -5.101 5.188 1.00 0.98 H new ATOM 0 HG3 LYS A 724 4.692 -5.383 3.671 1.00 0.98 H new ATOM 0 HD2 LYS A 724 6.291 -6.198 5.122 1.00 1.52 H new ATOM 0 HD3 LYS A 724 6.817 -4.529 5.036 1.00 1.52 H new ATOM 0 HE2 LYS A 724 6.112 -4.039 7.176 1.00 2.10 H new ATOM 0 HE3 LYS A 724 4.748 -5.137 7.101 1.00 2.10 H new ATOM 0 HZ1 LYS A 724 6.426 -5.928 8.638 1.00 2.63 H new ATOM 0 HZ2 LYS A 724 6.278 -7.008 7.336 1.00 2.63 H new ATOM 0 HZ3 LYS A 724 7.599 -5.944 7.409 1.00 2.63 H new ATOM 2441 N ASP A 725 2.014 -1.548 4.645 1.00 0.37 N ATOM 2442 CA ASP A 725 0.822 -1.248 5.432 1.00 0.36 C ATOM 2443 C ASP A 725 -0.438 -1.309 4.572 1.00 0.33 C ATOM 2444 O ASP A 725 -1.496 -1.739 5.033 1.00 0.35 O ATOM 2445 CB ASP A 725 0.946 0.135 6.074 1.00 0.41 C ATOM 2446 CG ASP A 725 0.292 0.199 7.440 1.00 0.87 C ATOM 2447 OD1 ASP A 725 -0.876 -0.226 7.560 1.00 1.49 O ATOM 2448 OD2 ASP A 725 0.949 0.674 8.391 1.00 1.61 O ATOM 0 H ASP A 725 2.639 -0.754 4.507 1.00 0.37 H new ATOM 0 HA ASP A 725 0.739 -2.002 6.214 1.00 0.36 H new ATOM 0 HB2 ASP A 725 2.000 0.396 6.166 1.00 0.41 H new ATOM 0 HB3 ASP A 725 0.489 0.878 5.420 1.00 0.41 H new ATOM 2453 N LEU A 726 -0.319 -0.867 3.325 1.00 0.30 N ATOM 2454 CA LEU A 726 -1.454 -0.862 2.401 1.00 0.30 C ATOM 2455 C LEU A 726 -2.017 -2.266 2.214 1.00 0.31 C ATOM 2456 O LEU A 726 -3.232 -2.465 2.229 1.00 0.36 O ATOM 2457 CB LEU A 726 -1.045 -0.292 1.040 1.00 0.30 C ATOM 2458 CG LEU A 726 0.021 0.803 1.077 1.00 0.47 C ATOM 2459 CD1 LEU A 726 0.300 1.324 -0.322 1.00 0.94 C ATOM 2460 CD2 LEU A 726 -0.412 1.934 1.996 1.00 0.98 C ATOM 0 H LEU A 726 0.549 -0.507 2.928 1.00 0.30 H new ATOM 0 HA LEU A 726 -2.226 -0.228 2.837 1.00 0.30 H new ATOM 0 HB2 LEU A 726 -0.679 -1.109 0.419 1.00 0.30 H new ATOM 0 HB3 LEU A 726 -1.934 0.107 0.551 1.00 0.30 H new ATOM 0 HG LEU A 726 0.943 0.375 1.471 1.00 0.47 H new ATOM 0 HD11 LEU A 726 1.061 2.103 -0.275 1.00 0.94 H new ATOM 0 HD12 LEU A 726 0.655 0.507 -0.950 1.00 0.94 H new ATOM 0 HD13 LEU A 726 -0.615 1.737 -0.746 1.00 0.94 H new ATOM 0 HD21 LEU A 726 0.358 2.705 2.011 1.00 0.98 H new ATOM 0 HD22 LEU A 726 -1.346 2.361 1.632 1.00 0.98 H new ATOM 0 HD23 LEU A 726 -0.558 1.547 3.005 1.00 0.98 H new ATOM 2472 N VAL A 727 -1.129 -3.236 2.034 1.00 0.31 N ATOM 2473 CA VAL A 727 -1.543 -4.621 1.839 1.00 0.36 C ATOM 2474 C VAL A 727 -2.133 -5.201 3.121 1.00 0.42 C ATOM 2475 O VAL A 727 -2.925 -6.143 3.079 1.00 0.46 O ATOM 2476 CB VAL A 727 -0.366 -5.505 1.381 1.00 0.37 C ATOM 2477 CG1 VAL A 727 0.761 -5.467 2.400 1.00 0.38 C ATOM 2478 CG2 VAL A 727 -0.829 -6.935 1.143 1.00 0.44 C ATOM 0 H VAL A 727 -0.120 -3.090 2.019 1.00 0.31 H new ATOM 0 HA VAL A 727 -2.304 -4.616 1.059 1.00 0.36 H new ATOM 0 HB VAL A 727 0.013 -5.109 0.439 1.00 0.37 H new ATOM 0 HG11 VAL A 727 1.582 -6.097 2.058 1.00 0.38 H new ATOM 0 HG12 VAL A 727 1.114 -4.442 2.514 1.00 0.38 H new ATOM 0 HG13 VAL A 727 0.397 -5.835 3.359 1.00 0.38 H new ATOM 0 HG21 VAL A 727 0.017 -7.542 0.820 1.00 0.44 H new ATOM 0 HG22 VAL A 727 -1.238 -7.344 2.067 1.00 0.44 H new ATOM 0 HG23 VAL A 727 -1.598 -6.945 0.371 1.00 0.44 H new ATOM 2488 N LYS A 728 -1.749 -4.631 4.257 1.00 0.46 N ATOM 2489 CA LYS A 728 -2.245 -5.092 5.549 1.00 0.56 C ATOM 2490 C LYS A 728 -3.769 -5.009 5.609 1.00 0.59 C ATOM 2491 O LYS A 728 -4.413 -5.758 6.344 1.00 0.68 O ATOM 2492 CB LYS A 728 -1.630 -4.265 6.679 1.00 0.63 C ATOM 2493 CG LYS A 728 -1.106 -5.107 7.832 1.00 0.85 C ATOM 2494 CD LYS A 728 -0.769 -4.251 9.041 1.00 1.48 C ATOM 2495 CE LYS A 728 0.352 -4.865 9.863 1.00 2.09 C ATOM 2496 NZ LYS A 728 0.021 -6.247 10.310 1.00 2.89 N ATOM 0 H LYS A 728 -1.096 -3.849 4.310 1.00 0.46 H new ATOM 0 HA LYS A 728 -1.952 -6.135 5.672 1.00 0.56 H new ATOM 0 HB2 LYS A 728 -0.813 -3.666 6.277 1.00 0.63 H new ATOM 0 HB3 LYS A 728 -2.379 -3.570 7.058 1.00 0.63 H new ATOM 0 HG2 LYS A 728 -1.853 -5.851 8.109 1.00 0.85 H new ATOM 0 HG3 LYS A 728 -0.218 -5.651 7.512 1.00 0.85 H new ATOM 0 HD2 LYS A 728 -0.476 -3.254 8.712 1.00 1.48 H new ATOM 0 HD3 LYS A 728 -1.656 -4.134 9.664 1.00 1.48 H new ATOM 0 HE2 LYS A 728 1.267 -4.884 9.271 1.00 2.09 H new ATOM 0 HE3 LYS A 728 0.548 -4.239 10.734 1.00 2.09 H new ATOM 0 HZ1 LYS A 728 0.718 -6.560 11.015 1.00 2.89 H new ATOM 0 HZ2 LYS A 728 -0.929 -6.257 10.734 1.00 2.89 H new ATOM 0 HZ3 LYS A 728 0.042 -6.890 9.493 1.00 2.89 H new