USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 883 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 143 CYS SG : rot -17:sc= -0.192 USER MOD Set 1.2: B 473 CYS SG : rot 67:sc= 0.229 USER MOD Set 2.1: A 116 ASN : amide:sc= -0.217 K(o=-0.25,f=-1.6!) USER MOD Set 2.2: A 119 GLN : amide:sc= -0.0362 K(o=-0.25,f=-0.93) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 91 ASN : amide:sc= 0.636 K(o=0.64,f=-4.5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 98 SER OG : rot 11:sc= -1.22! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc=-0.00314 K(o=-0.0031,f=-0.81) USER MOD Single : A 109 HIS : no HD1:sc= -0.466 K(o=-0.47,f=-4.2!) USER MOD Single : A 112 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.18) USER MOD Single : A 114 MET CE :methyl 159:sc=-0.00965 (180deg=-0.562) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -164:sc= -0.0328 (180deg=-0.272) USER MOD Single : A 127 MET CE :methyl 169:sc= -1.58 (180deg=-2.1) USER MOD Single : A 130 TYR OH : rot 180:sc= -0.423 USER MOD Single : A 131 MET CE :methyl 148:sc= -1.41 (180deg=-3.73!) USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 142 CYS SG : rot 85:sc= -0.656 USER MOD Single : A 150 SER OG : rot -0:sc= 0.477 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 ASN : amide:sc= -0.061 X(o=-0.061,f=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : B 465 HIS : no HE2:sc= -0.226! C(o=-0.23!,f=-5.4!) USER MOD Single : B 468 ASN : amide:sc= -1.22! C(o=-1.2!,f=-8.4!) USER MOD Single : B 472 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.7!) USER MOD Single : B 476 TYR OH : rot 180:sc= -0.724 USER MOD Single : B 479 LYS NZ :NH3+ 169:sc= 2.62 (180deg=2.31) USER MOD Single : B 480 LYS NZ :NH3+ -167:sc= -0.0646 (180deg=-0.299) USER MOD Single : B 487 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : B 488 ASN : amide:sc= -0.0701 X(o=-0.07,f=-0.13) USER MOD Single : B 489 SER OG : rot 180:sc= -0.0529 USER MOD Single : B 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 492 SER OG : rot 43:sc= 0.0657 USER MOD Single : B 493 LYS NZ :NH3+ 166:sc= -0.0192 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 81 -0.032 -20.423 4.098 1.00 0.00 N ATOM 2 CA GLY A 81 0.141 -21.729 3.416 1.00 0.00 C ATOM 3 C GLY A 81 0.189 -21.577 1.911 1.00 0.00 C ATOM 4 O GLY A 81 0.864 -20.680 1.405 1.00 0.00 O ATOM 0 HA2 GLY A 81 1.060 -22.201 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.680 -22.392 3.688 1.00 0.00 H new ATOM 10 N PRO A 82 -0.523 -22.441 1.166 1.00 0.00 N ATOM 11 CA PRO A 82 -0.576 -22.373 -0.298 1.00 0.00 C ATOM 12 C PRO A 82 -1.185 -21.062 -0.774 1.00 0.00 C ATOM 13 O PRO A 82 -2.287 -20.696 -0.349 1.00 0.00 O ATOM 14 CB PRO A 82 -1.473 -23.551 -0.694 1.00 0.00 C ATOM 15 CG PRO A 82 -1.491 -24.445 0.497 1.00 0.00 C ATOM 16 CD PRO A 82 -1.333 -23.549 1.688 1.00 0.00 C ATOM 0 HA PRO A 82 0.417 -22.422 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.478 -23.213 -0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.080 -24.069 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.425 -25.005 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.684 -25.176 0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.296 -23.203 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.835 -24.059 2.513 1.00 0.00 H new ATOM 24 N HIS A 83 -0.462 -20.374 -1.656 1.00 0.00 N ATOM 25 CA HIS A 83 -0.846 -19.046 -2.134 1.00 0.00 C ATOM 26 C HIS A 83 -0.678 -18.026 -1.012 1.00 0.00 C ATOM 27 O HIS A 83 -1.416 -18.035 -0.025 1.00 0.00 O ATOM 28 CB HIS A 83 -2.283 -19.040 -2.678 1.00 0.00 C ATOM 29 CG HIS A 83 -2.709 -17.730 -3.269 1.00 0.00 C ATOM 30 ND1 HIS A 83 -2.382 -17.384 -4.558 1.00 0.00 N ATOM 31 CD2 HIS A 83 -3.434 -16.732 -2.712 1.00 0.00 C ATOM 32 CE1 HIS A 83 -2.913 -16.189 -4.756 1.00 0.00 C ATOM 33 NE2 HIS A 83 -3.560 -15.757 -3.666 1.00 0.00 N ATOM 0 H HIS A 83 0.408 -20.722 -2.060 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.190 -18.771 -2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.376 -19.816 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.967 -19.301 -1.870 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.835 -16.709 -1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.835 -15.633 -5.678 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -4.053 -14.870 -3.565 1.00 0.00 H new ATOM 41 N MET A 84 0.307 -17.157 -1.169 1.00 0.00 N ATOM 42 CA MET A 84 0.651 -16.185 -0.140 1.00 0.00 C ATOM 43 C MET A 84 -0.449 -15.148 0.037 1.00 0.00 C ATOM 44 O MET A 84 -1.375 -15.055 -0.769 1.00 0.00 O ATOM 45 CB MET A 84 1.969 -15.494 -0.487 1.00 0.00 C ATOM 46 CG MET A 84 3.161 -16.432 -0.466 1.00 0.00 C ATOM 47 SD MET A 84 3.424 -17.176 1.156 1.00 0.00 S ATOM 48 CE MET A 84 4.810 -18.252 0.805 1.00 0.00 C ATOM 0 H MET A 84 0.888 -17.104 -2.006 1.00 0.00 H new ATOM 0 HA MET A 84 0.762 -16.722 0.802 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.886 -15.045 -1.477 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.142 -14.681 0.219 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.012 -17.220 -1.204 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.056 -15.884 -0.761 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.095 -18.786 1.712 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.528 -18.970 0.035 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.653 -17.657 0.455 1.00 0.00 H new ATOM 58 N ASP A 85 -0.331 -14.361 1.096 1.00 0.00 N ATOM 59 CA ASP A 85 -1.342 -13.367 1.447 1.00 0.00 C ATOM 60 C ASP A 85 -1.111 -12.075 0.671 1.00 0.00 C ATOM 61 O ASP A 85 -1.257 -10.969 1.195 1.00 0.00 O ATOM 62 CB ASP A 85 -1.293 -13.103 2.953 1.00 0.00 C ATOM 63 CG ASP A 85 -2.541 -12.429 3.486 1.00 0.00 C ATOM 64 OD1 ASP A 85 -3.649 -12.953 3.260 1.00 0.00 O ATOM 65 OD2 ASP A 85 -2.422 -11.394 4.176 1.00 0.00 O ATOM 0 H ASP A 85 0.463 -14.391 1.735 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.328 -13.749 1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.148 -14.048 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.428 -12.479 3.177 1.00 0.00 H new ATOM 70 N ARG A 86 -0.729 -12.229 -0.584 1.00 0.00 N ATOM 71 CA ARG A 86 -0.479 -11.098 -1.463 1.00 0.00 C ATOM 72 C ARG A 86 -1.700 -10.807 -2.324 1.00 0.00 C ATOM 73 O ARG A 86 -2.597 -11.642 -2.458 1.00 0.00 O ATOM 74 CB ARG A 86 0.725 -11.359 -2.370 1.00 0.00 C ATOM 75 CG ARG A 86 2.066 -11.349 -1.654 1.00 0.00 C ATOM 76 CD ARG A 86 3.211 -11.448 -2.649 1.00 0.00 C ATOM 77 NE ARG A 86 4.519 -11.281 -2.014 1.00 0.00 N ATOM 78 CZ ARG A 86 5.600 -10.817 -2.644 1.00 0.00 C ATOM 79 NH1 ARG A 86 5.534 -10.477 -3.926 1.00 0.00 N ATOM 80 NH2 ARG A 86 6.746 -10.695 -1.990 1.00 0.00 N ATOM 0 H ARG A 86 -0.583 -13.138 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.266 -10.235 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.594 -12.325 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.742 -10.605 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.164 -10.434 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.115 -12.182 -0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.173 -12.417 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.085 -10.688 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 86 4.610 -11.535 -1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.654 -10.570 -4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.363 -10.123 -4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.802 -10.956 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.573 -10.340 -2.471 1.00 0.00 H new ATOM 94 N VAL A 87 -1.716 -9.622 -2.909 1.00 0.00 N ATOM 95 CA VAL A 87 -2.803 -9.199 -3.774 1.00 0.00 C ATOM 96 C VAL A 87 -2.382 -9.339 -5.230 1.00 0.00 C ATOM 97 O VAL A 87 -1.235 -9.053 -5.578 1.00 0.00 O ATOM 98 CB VAL A 87 -3.193 -7.730 -3.497 1.00 0.00 C ATOM 99 CG1 VAL A 87 -4.356 -7.295 -4.375 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.534 -7.535 -2.029 1.00 0.00 C ATOM 0 H VAL A 87 -0.977 -8.927 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.666 -9.833 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.334 -7.105 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.608 -6.257 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.075 -7.388 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.220 -7.928 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.806 -6.494 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.372 -8.179 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.669 -7.792 -1.417 1.00 0.00 H new ATOM 110 N SER A 88 -3.304 -9.799 -6.067 1.00 0.00 N ATOM 111 CA SER A 88 -3.046 -9.946 -7.490 1.00 0.00 C ATOM 112 C SER A 88 -2.685 -8.594 -8.103 1.00 0.00 C ATOM 113 O SER A 88 -3.337 -7.585 -7.840 1.00 0.00 O ATOM 114 CB SER A 88 -4.277 -10.532 -8.178 1.00 0.00 C ATOM 115 OG SER A 88 -4.654 -11.762 -7.578 1.00 0.00 O ATOM 0 H SER A 88 -4.242 -10.078 -5.780 1.00 0.00 H new ATOM 0 HA SER A 88 -2.205 -10.624 -7.633 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.104 -9.824 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.068 -10.688 -9.236 1.00 0.00 H new ATOM 0 HG SER A 88 -5.445 -12.119 -8.033 1.00 0.00 H new ATOM 121 N LEU A 89 -1.642 -8.598 -8.924 1.00 0.00 N ATOM 122 CA LEU A 89 -1.079 -7.377 -9.482 1.00 0.00 C ATOM 123 C LEU A 89 -2.075 -6.701 -10.400 1.00 0.00 C ATOM 124 O LEU A 89 -2.119 -5.479 -10.489 1.00 0.00 O ATOM 125 CB LEU A 89 0.204 -7.701 -10.242 1.00 0.00 C ATOM 126 CG LEU A 89 1.120 -6.509 -10.523 1.00 0.00 C ATOM 127 CD1 LEU A 89 2.571 -6.909 -10.340 1.00 0.00 C ATOM 128 CD2 LEU A 89 0.895 -5.978 -11.930 1.00 0.00 C ATOM 0 H LEU A 89 -1.163 -9.448 -9.221 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.848 -6.693 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.765 -8.443 -9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.064 -8.163 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 89 0.880 -5.717 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.213 -6.052 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.729 -7.246 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.815 -7.717 -11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.557 -5.130 -12.109 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.108 -6.764 -12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.142 -5.658 -12.037 1.00 0.00 H new ATOM 140 N GLN A 90 -2.869 -7.511 -11.078 1.00 0.00 N ATOM 141 CA GLN A 90 -3.939 -6.996 -11.926 1.00 0.00 C ATOM 142 C GLN A 90 -4.907 -6.148 -11.105 1.00 0.00 C ATOM 143 O GLN A 90 -5.389 -5.114 -11.565 1.00 0.00 O ATOM 144 CB GLN A 90 -4.681 -8.142 -12.624 1.00 0.00 C ATOM 145 CG GLN A 90 -5.275 -9.174 -11.677 1.00 0.00 C ATOM 146 CD GLN A 90 -6.058 -10.245 -12.410 1.00 0.00 C ATOM 147 OE1 GLN A 90 -6.646 -9.990 -13.461 1.00 0.00 O ATOM 148 NE2 GLN A 90 -6.072 -11.450 -11.865 1.00 0.00 N ATOM 0 H GLN A 90 -2.796 -8.528 -11.060 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.493 -6.365 -12.695 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.481 -7.723 -13.234 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.992 -8.644 -13.304 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.474 -9.641 -11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.929 -8.674 -10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.572 -11.621 -10.993 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.583 -12.208 -12.317 1.00 0.00 H new ATOM 157 N ASN A 91 -5.160 -6.581 -9.875 1.00 0.00 N ATOM 158 CA ASN A 91 -6.008 -5.834 -8.953 1.00 0.00 C ATOM 159 C ASN A 91 -5.350 -4.511 -8.598 1.00 0.00 C ATOM 160 O ASN A 91 -6.012 -3.479 -8.500 1.00 0.00 O ATOM 161 CB ASN A 91 -6.262 -6.630 -7.668 1.00 0.00 C ATOM 162 CG ASN A 91 -7.179 -7.821 -7.864 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.202 -8.444 -8.925 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.936 -8.152 -6.831 1.00 0.00 N ATOM 0 H ASN A 91 -4.788 -7.450 -9.492 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.962 -5.653 -9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.308 -6.978 -7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.696 -5.967 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.568 -8.950 -6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.887 -7.610 -5.969 1.00 0.00 H new ATOM 171 N LEU A 92 -4.034 -4.555 -8.437 1.00 0.00 N ATOM 172 CA LEU A 92 -3.262 -3.381 -8.062 1.00 0.00 C ATOM 173 C LEU A 92 -3.247 -2.377 -9.203 1.00 0.00 C ATOM 174 O LEU A 92 -3.257 -1.173 -8.984 1.00 0.00 O ATOM 175 CB LEU A 92 -1.829 -3.779 -7.697 1.00 0.00 C ATOM 176 CG LEU A 92 -1.701 -4.813 -6.578 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.244 -5.199 -6.374 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.293 -4.271 -5.285 1.00 0.00 C ATOM 0 H LEU A 92 -3.476 -5.400 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.731 -2.922 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.340 -4.171 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.284 -2.882 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.257 -5.705 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.171 -5.936 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.152 -5.624 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.333 -4.314 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.194 -5.019 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.762 -3.365 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.348 -4.041 -5.436 1.00 0.00 H new ATOM 190 N LYS A 93 -3.245 -2.890 -10.425 1.00 0.00 N ATOM 191 CA LYS A 93 -3.219 -2.048 -11.618 1.00 0.00 C ATOM 192 C LYS A 93 -4.426 -1.109 -11.686 1.00 0.00 C ATOM 193 O LYS A 93 -4.362 -0.052 -12.317 1.00 0.00 O ATOM 194 CB LYS A 93 -3.156 -2.916 -12.873 1.00 0.00 C ATOM 195 CG LYS A 93 -1.857 -3.692 -13.004 1.00 0.00 C ATOM 196 CD LYS A 93 -1.783 -4.462 -14.313 1.00 0.00 C ATOM 197 CE LYS A 93 -1.747 -3.531 -15.517 1.00 0.00 C ATOM 198 NZ LYS A 93 -1.446 -4.259 -16.777 1.00 0.00 N ATOM 0 H LYS A 93 -3.261 -3.891 -10.619 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.325 -1.427 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.990 -3.617 -12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.282 -2.282 -13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.015 -3.003 -12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.764 -4.386 -12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.893 -5.092 -14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.644 -5.126 -14.393 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.707 -3.024 -15.612 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.994 -2.759 -15.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.431 -3.587 -17.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.518 -4.722 -16.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.178 -4.978 -16.946 1.00 0.00 H new ATOM 212 N ASN A 94 -5.517 -1.483 -11.029 1.00 0.00 N ATOM 213 CA ASN A 94 -6.722 -0.656 -11.029 1.00 0.00 C ATOM 214 C ASN A 94 -6.553 0.566 -10.130 1.00 0.00 C ATOM 215 O ASN A 94 -7.276 1.548 -10.271 1.00 0.00 O ATOM 216 CB ASN A 94 -7.950 -1.449 -10.573 1.00 0.00 C ATOM 217 CG ASN A 94 -8.368 -2.523 -11.556 1.00 0.00 C ATOM 218 OD1 ASN A 94 -9.099 -2.260 -12.512 1.00 0.00 O ATOM 219 ND2 ASN A 94 -7.931 -3.746 -11.314 1.00 0.00 N ATOM 0 H ASN A 94 -5.595 -2.347 -10.492 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.876 -0.328 -12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.738 -1.911 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.782 -0.762 -10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.198 -4.514 -11.930 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.327 -3.922 -10.511 1.00 0.00 H new ATOM 226 N LEU A 95 -5.587 0.507 -9.218 1.00 0.00 N ATOM 227 CA LEU A 95 -5.363 1.591 -8.260 1.00 0.00 C ATOM 228 C LEU A 95 -4.985 2.881 -8.977 1.00 0.00 C ATOM 229 O LEU A 95 -5.483 3.958 -8.647 1.00 0.00 O ATOM 230 CB LEU A 95 -4.261 1.208 -7.271 1.00 0.00 C ATOM 231 CG LEU A 95 -4.536 -0.044 -6.440 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.296 -0.437 -5.658 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.706 0.177 -5.497 1.00 0.00 C ATOM 0 H LEU A 95 -4.945 -0.280 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.292 1.755 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.334 1.060 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.097 2.045 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.796 -0.855 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.505 -1.331 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.479 -0.641 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.013 0.378 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.882 -0.729 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.478 1.002 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.599 0.417 -6.075 1.00 0.00 H new ATOM 245 N GLY A 96 -4.119 2.761 -9.974 1.00 0.00 N ATOM 246 CA GLY A 96 -3.678 3.928 -10.714 1.00 0.00 C ATOM 247 C GLY A 96 -4.741 4.448 -11.662 1.00 0.00 C ATOM 248 O GLY A 96 -4.604 5.531 -12.225 1.00 0.00 O ATOM 0 H GLY A 96 -3.714 1.878 -10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.403 4.716 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.781 3.678 -11.280 1.00 0.00 H new ATOM 252 N GLU A 97 -5.806 3.676 -11.833 1.00 0.00 N ATOM 253 CA GLU A 97 -6.878 4.043 -12.746 1.00 0.00 C ATOM 254 C GLU A 97 -8.090 4.578 -11.992 1.00 0.00 C ATOM 255 O GLU A 97 -8.882 5.344 -12.540 1.00 0.00 O ATOM 256 CB GLU A 97 -7.288 2.832 -13.581 1.00 0.00 C ATOM 257 CG GLU A 97 -6.199 2.348 -14.522 1.00 0.00 C ATOM 258 CD GLU A 97 -5.877 3.363 -15.598 1.00 0.00 C ATOM 259 OE1 GLU A 97 -6.602 3.402 -16.612 1.00 0.00 O ATOM 260 OE2 GLU A 97 -4.902 4.130 -15.434 1.00 0.00 O ATOM 0 H GLU A 97 -5.950 2.789 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.506 4.832 -13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.568 2.018 -12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.174 3.085 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.297 2.130 -13.949 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.513 1.414 -14.989 1.00 0.00 H new ATOM 267 N SER A 98 -8.220 4.183 -10.732 1.00 0.00 N ATOM 268 CA SER A 98 -9.363 4.564 -9.924 1.00 0.00 C ATOM 269 C SER A 98 -9.302 6.040 -9.558 1.00 0.00 C ATOM 270 O SER A 98 -8.389 6.482 -8.852 1.00 0.00 O ATOM 271 CB SER A 98 -9.421 3.698 -8.667 1.00 0.00 C ATOM 272 OG SER A 98 -8.174 3.691 -7.993 1.00 0.00 O ATOM 0 H SER A 98 -7.541 3.595 -10.248 1.00 0.00 H new ATOM 0 HA SER A 98 -10.271 4.403 -10.506 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.197 4.073 -7.999 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.698 2.679 -8.937 1.00 0.00 H new ATOM 0 HG SER A 98 -7.591 4.378 -8.377 1.00 0.00 H new ATOM 278 N ALA A 99 -10.277 6.794 -10.048 1.00 0.00 N ATOM 279 CA ALA A 99 -10.337 8.230 -9.821 1.00 0.00 C ATOM 280 C ALA A 99 -10.496 8.550 -8.341 1.00 0.00 C ATOM 281 O ALA A 99 -10.066 9.607 -7.879 1.00 0.00 O ATOM 282 CB ALA A 99 -11.473 8.845 -10.624 1.00 0.00 C ATOM 0 H ALA A 99 -11.045 6.429 -10.611 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.395 8.663 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.506 9.920 -10.444 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.310 8.660 -11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.419 8.397 -10.318 1.00 0.00 H new ATOM 288 N THR A 100 -11.089 7.628 -7.594 1.00 0.00 N ATOM 289 CA THR A 100 -11.302 7.840 -6.172 1.00 0.00 C ATOM 290 C THR A 100 -9.981 7.799 -5.411 1.00 0.00 C ATOM 291 O THR A 100 -9.710 8.655 -4.569 1.00 0.00 O ATOM 292 CB THR A 100 -12.259 6.793 -5.571 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.482 6.761 -6.316 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.559 7.116 -4.115 1.00 0.00 C ATOM 0 H THR A 100 -11.428 6.733 -7.947 1.00 0.00 H new ATOM 0 HA THR A 100 -11.755 8.826 -6.069 1.00 0.00 H new ATOM 0 HB THR A 100 -11.777 5.817 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.084 6.092 -5.928 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.236 6.365 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.631 7.115 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.025 8.099 -4.049 1.00 0.00 H new ATOM 302 N LEU A 101 -9.145 6.823 -5.737 1.00 0.00 N ATOM 303 CA LEU A 101 -7.907 6.620 -5.002 1.00 0.00 C ATOM 304 C LEU A 101 -6.911 7.714 -5.327 1.00 0.00 C ATOM 305 O LEU A 101 -6.346 8.328 -4.428 1.00 0.00 O ATOM 306 CB LEU A 101 -7.293 5.256 -5.317 1.00 0.00 C ATOM 307 CG LEU A 101 -6.030 4.929 -4.519 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.352 4.771 -3.043 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.360 3.679 -5.059 1.00 0.00 C ATOM 0 H LEU A 101 -9.301 6.164 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.145 6.655 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.038 4.484 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.056 5.215 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.335 5.761 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.439 4.539 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.778 5.699 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.070 3.962 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.464 3.466 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.049 2.837 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.086 3.835 -6.102 1.00 0.00 H new ATOM 321 N ARG A 102 -6.718 7.971 -6.616 1.00 0.00 N ATOM 322 CA ARG A 102 -5.766 8.985 -7.056 1.00 0.00 C ATOM 323 C ARG A 102 -6.111 10.352 -6.477 1.00 0.00 C ATOM 324 O ARG A 102 -5.223 11.158 -6.230 1.00 0.00 O ATOM 325 CB ARG A 102 -5.708 9.064 -8.582 1.00 0.00 C ATOM 326 CG ARG A 102 -7.063 9.262 -9.234 1.00 0.00 C ATOM 327 CD ARG A 102 -6.930 9.771 -10.659 1.00 0.00 C ATOM 328 NE ARG A 102 -6.199 8.833 -11.508 1.00 0.00 N ATOM 329 CZ ARG A 102 -6.492 8.599 -12.787 1.00 0.00 C ATOM 330 NH1 ARG A 102 -7.455 9.286 -13.390 1.00 0.00 N ATOM 331 NH2 ARG A 102 -5.804 7.692 -13.467 1.00 0.00 N ATOM 0 H ARG A 102 -7.207 7.493 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.784 8.689 -6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.053 9.886 -8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.259 8.149 -8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.609 8.318 -9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.649 9.970 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.922 9.942 -11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.416 10.732 -10.654 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.416 8.326 -11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.974 9.996 -12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.676 9.103 -14.369 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.052 7.175 -13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.027 7.511 -14.446 1.00 0.00 H new ATOM 345 N SER A 103 -7.399 10.595 -6.228 1.00 0.00 N ATOM 346 CA SER A 103 -7.847 11.869 -5.677 1.00 0.00 C ATOM 347 C SER A 103 -7.308 12.051 -4.261 1.00 0.00 C ATOM 348 O SER A 103 -7.190 13.174 -3.768 1.00 0.00 O ATOM 349 CB SER A 103 -9.378 11.939 -5.676 1.00 0.00 C ATOM 350 OG SER A 103 -9.842 13.201 -5.214 1.00 0.00 O ATOM 0 H SER A 103 -8.148 9.924 -6.400 1.00 0.00 H new ATOM 0 HA SER A 103 -7.462 12.674 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.752 11.760 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.779 11.148 -5.042 1.00 0.00 H new ATOM 0 HG SER A 103 -10.822 13.214 -5.227 1.00 0.00 H new ATOM 356 N LEU A 104 -6.976 10.941 -3.615 1.00 0.00 N ATOM 357 CA LEU A 104 -6.421 10.976 -2.272 1.00 0.00 C ATOM 358 C LEU A 104 -4.918 11.209 -2.345 1.00 0.00 C ATOM 359 O LEU A 104 -4.320 11.799 -1.447 1.00 0.00 O ATOM 360 CB LEU A 104 -6.717 9.665 -1.540 1.00 0.00 C ATOM 361 CG LEU A 104 -8.166 9.178 -1.632 1.00 0.00 C ATOM 362 CD1 LEU A 104 -8.358 7.916 -0.813 1.00 0.00 C ATOM 363 CD2 LEU A 104 -9.133 10.264 -1.186 1.00 0.00 C ATOM 0 H LEU A 104 -7.083 10.003 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.883 11.793 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.064 8.889 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.458 9.789 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.381 8.945 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.394 7.586 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.698 7.134 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.120 8.120 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.155 9.894 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.921 10.538 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.017 11.139 -1.825 1.00 0.00 H new ATOM 375 N LEU A 105 -4.319 10.765 -3.447 1.00 0.00 N ATOM 376 CA LEU A 105 -2.888 10.953 -3.679 1.00 0.00 C ATOM 377 C LEU A 105 -2.574 12.405 -4.044 1.00 0.00 C ATOM 378 O LEU A 105 -1.432 12.745 -4.344 1.00 0.00 O ATOM 379 CB LEU A 105 -2.373 10.017 -4.781 1.00 0.00 C ATOM 380 CG LEU A 105 -2.096 8.567 -4.361 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.380 7.820 -4.054 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.311 7.847 -5.447 1.00 0.00 C ATOM 0 H LEU A 105 -4.804 10.271 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.377 10.707 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.103 10.006 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.453 10.438 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.502 8.591 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.144 6.797 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.906 8.319 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.014 7.806 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.121 6.819 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.887 7.847 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.362 8.359 -5.610 1.00 0.00 H new ATOM 394 N LEU A 106 -3.596 13.251 -4.040 1.00 0.00 N ATOM 395 CA LEU A 106 -3.402 14.688 -4.195 1.00 0.00 C ATOM 396 C LEU A 106 -2.867 15.287 -2.897 1.00 0.00 C ATOM 397 O LEU A 106 -2.292 16.376 -2.893 1.00 0.00 O ATOM 398 CB LEU A 106 -4.721 15.369 -4.578 1.00 0.00 C ATOM 399 CG LEU A 106 -5.047 15.433 -6.078 1.00 0.00 C ATOM 400 CD1 LEU A 106 -4.111 16.392 -6.790 1.00 0.00 C ATOM 401 CD2 LEU A 106 -4.968 14.062 -6.724 1.00 0.00 C ATOM 0 H LEU A 106 -4.570 12.967 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.677 14.856 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.534 14.847 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.706 16.387 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.070 15.797 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.359 16.422 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.219 17.389 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.082 16.054 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.205 14.145 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.961 13.662 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.682 13.392 -6.245 1.00 0.00 H new ATOM 413 N ASN A 107 -3.057 14.560 -1.801 1.00 0.00 N ATOM 414 CA ASN A 107 -2.611 15.003 -0.483 1.00 0.00 C ATOM 415 C ASN A 107 -1.120 14.736 -0.304 1.00 0.00 C ATOM 416 O ASN A 107 -0.686 13.582 -0.270 1.00 0.00 O ATOM 417 CB ASN A 107 -3.406 14.284 0.612 1.00 0.00 C ATOM 418 CG ASN A 107 -4.867 14.691 0.636 1.00 0.00 C ATOM 419 OD1 ASN A 107 -5.218 15.820 0.295 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.731 13.774 1.041 1.00 0.00 N ATOM 0 H ASN A 107 -3.522 13.652 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.785 16.076 -0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.335 13.207 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.957 14.499 1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.727 13.993 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.401 12.849 1.316 1.00 0.00 H new ATOM 427 N PRO A 108 -0.321 15.816 -0.186 1.00 0.00 N ATOM 428 CA PRO A 108 1.144 15.734 -0.071 1.00 0.00 C ATOM 429 C PRO A 108 1.606 14.858 1.089 1.00 0.00 C ATOM 430 O PRO A 108 2.573 14.107 0.966 1.00 0.00 O ATOM 431 CB PRO A 108 1.573 17.185 0.170 1.00 0.00 C ATOM 432 CG PRO A 108 0.464 18.012 -0.377 1.00 0.00 C ATOM 433 CD PRO A 108 -0.791 17.216 -0.166 1.00 0.00 C ATOM 0 HA PRO A 108 1.581 15.280 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.724 17.380 1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.515 17.406 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.406 18.973 0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.619 18.222 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.269 17.465 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.523 17.405 -0.952 1.00 0.00 H new ATOM 441 N HIS A 109 0.915 14.954 2.216 1.00 0.00 N ATOM 442 CA HIS A 109 1.282 14.186 3.397 1.00 0.00 C ATOM 443 C HIS A 109 1.016 12.701 3.176 1.00 0.00 C ATOM 444 O HIS A 109 1.824 11.855 3.552 1.00 0.00 O ATOM 445 CB HIS A 109 0.517 14.690 4.623 1.00 0.00 C ATOM 446 CG HIS A 109 0.777 13.896 5.865 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.776 14.238 6.744 1.00 0.00 N ATOM 448 CD2 HIS A 109 0.137 12.796 6.325 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.718 13.346 7.716 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.742 12.452 7.508 1.00 0.00 N ATOM 0 H HIS A 109 0.099 15.554 2.337 1.00 0.00 H new ATOM 0 HA HIS A 109 2.349 14.321 3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.786 15.731 4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.551 14.670 4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.690 12.287 5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.376 13.338 8.573 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.496 11.668 8.112 1.00 0.00 H new ATOM 458 N LEU A 110 -0.114 12.395 2.553 1.00 0.00 N ATOM 459 CA LEU A 110 -0.488 11.016 2.276 1.00 0.00 C ATOM 460 C LEU A 110 0.573 10.375 1.386 1.00 0.00 C ATOM 461 O LEU A 110 0.986 9.232 1.601 1.00 0.00 O ATOM 462 CB LEU A 110 -1.863 10.984 1.596 1.00 0.00 C ATOM 463 CG LEU A 110 -2.660 9.679 1.735 1.00 0.00 C ATOM 464 CD1 LEU A 110 -4.061 9.865 1.180 1.00 0.00 C ATOM 465 CD2 LEU A 110 -1.964 8.531 1.022 1.00 0.00 C ATOM 0 H LEU A 110 -0.790 13.087 2.229 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.550 10.452 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.465 11.797 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.725 11.189 0.534 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.722 9.430 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.619 8.935 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.569 10.656 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.002 10.138 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.552 7.621 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.866 8.767 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.974 8.381 1.454 1.00 0.00 H new ATOM 477 N ARG A 111 1.033 11.142 0.407 1.00 0.00 N ATOM 478 CA ARG A 111 2.067 10.683 -0.511 1.00 0.00 C ATOM 479 C ARG A 111 3.352 10.403 0.254 1.00 0.00 C ATOM 480 O ARG A 111 3.994 9.372 0.057 1.00 0.00 O ATOM 481 CB ARG A 111 2.319 11.736 -1.589 1.00 0.00 C ATOM 482 CG ARG A 111 1.087 12.061 -2.412 1.00 0.00 C ATOM 483 CD ARG A 111 1.302 13.275 -3.303 1.00 0.00 C ATOM 484 NE ARG A 111 2.336 13.053 -4.309 1.00 0.00 N ATOM 485 CZ ARG A 111 2.085 12.862 -5.610 1.00 0.00 C ATOM 486 NH1 ARG A 111 0.829 12.784 -6.047 1.00 0.00 N ATOM 487 NH2 ARG A 111 3.090 12.736 -6.471 1.00 0.00 N ATOM 0 H ARG A 111 0.704 12.091 0.227 1.00 0.00 H new ATOM 0 HA ARG A 111 1.731 9.763 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.683 12.649 -1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.108 11.384 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.825 11.201 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.244 12.245 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.365 13.528 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.577 14.130 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 111 3.309 13.043 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.054 12.870 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.642 12.638 -7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.054 12.785 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.897 12.590 -7.462 1.00 0.00 H new ATOM 501 N GLN A 112 3.693 11.320 1.152 1.00 0.00 N ATOM 502 CA GLN A 112 4.887 11.199 1.982 1.00 0.00 C ATOM 503 C GLN A 112 4.824 9.963 2.876 1.00 0.00 C ATOM 504 O GLN A 112 5.852 9.417 3.266 1.00 0.00 O ATOM 505 CB GLN A 112 5.053 12.450 2.841 1.00 0.00 C ATOM 506 CG GLN A 112 6.290 13.266 2.506 1.00 0.00 C ATOM 507 CD GLN A 112 7.574 12.495 2.738 1.00 0.00 C ATOM 508 OE1 GLN A 112 8.123 12.501 3.841 1.00 0.00 O ATOM 509 NE2 GLN A 112 8.069 11.837 1.702 1.00 0.00 N ATOM 0 H GLN A 112 3.151 12.167 1.325 1.00 0.00 H new ATOM 0 HA GLN A 112 5.746 11.093 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.171 13.080 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.097 12.156 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.242 13.581 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.299 14.172 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.583 11.858 0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.936 11.309 1.800 1.00 0.00 H new ATOM 518 N LEU A 113 3.618 9.504 3.170 1.00 0.00 N ATOM 519 CA LEU A 113 3.436 8.358 4.040 1.00 0.00 C ATOM 520 C LEU A 113 3.693 7.098 3.255 1.00 0.00 C ATOM 521 O LEU A 113 4.497 6.249 3.641 1.00 0.00 O ATOM 522 CB LEU A 113 2.016 8.322 4.610 1.00 0.00 C ATOM 523 CG LEU A 113 1.689 9.401 5.640 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.253 9.262 6.116 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.648 9.318 6.814 1.00 0.00 C ATOM 0 H LEU A 113 2.751 9.909 2.817 1.00 0.00 H new ATOM 0 HA LEU A 113 4.137 8.435 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.310 8.408 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.853 7.347 5.068 1.00 0.00 H new ATOM 0 HG LEU A 113 1.803 10.377 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.036 10.038 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.423 9.365 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.114 8.282 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.403 10.093 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.562 8.339 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.669 9.462 6.461 1.00 0.00 H new ATOM 537 N MET A 114 3.020 7.014 2.125 1.00 0.00 N ATOM 538 CA MET A 114 3.103 5.869 1.266 1.00 0.00 C ATOM 539 C MET A 114 4.542 5.633 0.794 1.00 0.00 C ATOM 540 O MET A 114 5.027 4.505 0.828 1.00 0.00 O ATOM 541 CB MET A 114 2.148 6.066 0.093 1.00 0.00 C ATOM 542 CG MET A 114 2.379 5.085 -1.017 1.00 0.00 C ATOM 543 SD MET A 114 1.093 5.100 -2.275 1.00 0.00 S ATOM 544 CE MET A 114 1.320 6.737 -2.944 1.00 0.00 C ATOM 0 H MET A 114 2.399 7.747 1.782 1.00 0.00 H new ATOM 0 HA MET A 114 2.809 4.976 1.817 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.121 5.972 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.260 7.079 -0.294 1.00 0.00 H new ATOM 0 HG2 MET A 114 3.338 5.302 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 114 2.450 4.083 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.886 6.785 -3.943 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.828 7.465 -2.299 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.385 6.963 -3.000 1.00 0.00 H new ATOM 554 N VAL A 115 5.239 6.700 0.400 1.00 0.00 N ATOM 555 CA VAL A 115 6.612 6.566 -0.100 1.00 0.00 C ATOM 556 C VAL A 115 7.577 6.140 1.004 1.00 0.00 C ATOM 557 O VAL A 115 8.629 5.569 0.735 1.00 0.00 O ATOM 558 CB VAL A 115 7.134 7.864 -0.751 1.00 0.00 C ATOM 559 CG1 VAL A 115 6.267 8.260 -1.935 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.214 8.992 0.263 1.00 0.00 C ATOM 0 H VAL A 115 4.883 7.656 0.416 1.00 0.00 H new ATOM 0 HA VAL A 115 6.571 5.789 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 115 8.143 7.673 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.654 9.178 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.281 7.464 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.243 8.423 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.585 9.894 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.223 9.183 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.892 8.710 1.068 1.00 0.00 H new ATOM 570 N ASN A 116 7.213 6.425 2.243 1.00 0.00 N ATOM 571 CA ASN A 116 8.013 6.022 3.397 1.00 0.00 C ATOM 572 C ASN A 116 7.903 4.528 3.629 1.00 0.00 C ATOM 573 O ASN A 116 8.891 3.851 3.918 1.00 0.00 O ATOM 574 CB ASN A 116 7.547 6.759 4.651 1.00 0.00 C ATOM 575 CG ASN A 116 8.273 8.063 4.875 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.433 8.221 4.494 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.602 9.002 5.512 1.00 0.00 N ATOM 0 H ASN A 116 6.364 6.937 2.481 1.00 0.00 H new ATOM 0 HA ASN A 116 9.052 6.277 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.477 6.954 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.692 6.115 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 116 8.043 9.901 5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.642 8.830 5.810 1.00 0.00 H new ATOM 584 N LEU A 117 6.686 4.026 3.502 1.00 0.00 N ATOM 585 CA LEU A 117 6.392 2.621 3.748 1.00 0.00 C ATOM 586 C LEU A 117 7.180 1.696 2.813 1.00 0.00 C ATOM 587 O LEU A 117 7.632 0.629 3.231 1.00 0.00 O ATOM 588 CB LEU A 117 4.890 2.376 3.592 1.00 0.00 C ATOM 589 CG LEU A 117 4.398 1.007 4.056 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.580 0.851 5.558 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.939 0.807 3.674 1.00 0.00 C ATOM 0 H LEU A 117 5.874 4.578 3.226 1.00 0.00 H new ATOM 0 HA LEU A 117 6.700 2.388 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.354 3.144 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.626 2.502 2.542 1.00 0.00 H new ATOM 0 HG LEU A 117 4.994 0.243 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.223 -0.131 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.636 0.949 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.011 1.623 6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.605 -0.174 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.331 1.579 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.834 0.872 2.591 1.00 0.00 H new ATOM 603 N ASP A 118 7.357 2.114 1.559 1.00 0.00 N ATOM 604 CA ASP A 118 8.074 1.297 0.566 1.00 0.00 C ATOM 605 C ASP A 118 9.550 1.177 0.922 1.00 0.00 C ATOM 606 O ASP A 118 10.180 0.148 0.669 1.00 0.00 O ATOM 607 CB ASP A 118 7.931 1.891 -0.843 1.00 0.00 C ATOM 608 CG ASP A 118 8.687 1.100 -1.907 1.00 0.00 C ATOM 609 OD1 ASP A 118 9.863 1.421 -2.179 1.00 0.00 O ATOM 610 OD2 ASP A 118 8.103 0.158 -2.489 1.00 0.00 O ATOM 0 H ASP A 118 7.018 3.008 1.203 1.00 0.00 H new ATOM 0 HA ASP A 118 7.626 0.303 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.875 1.929 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.295 2.918 -0.836 1.00 0.00 H new ATOM 615 N GLN A 119 10.084 2.229 1.539 1.00 0.00 N ATOM 616 CA GLN A 119 11.493 2.272 1.921 1.00 0.00 C ATOM 617 C GLN A 119 11.815 1.150 2.894 1.00 0.00 C ATOM 618 O GLN A 119 12.941 0.663 2.959 1.00 0.00 O ATOM 619 CB GLN A 119 11.828 3.623 2.544 1.00 0.00 C ATOM 620 CG GLN A 119 11.476 4.783 1.637 1.00 0.00 C ATOM 621 CD GLN A 119 11.881 6.127 2.206 1.00 0.00 C ATOM 622 OE1 GLN A 119 12.853 6.233 2.953 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.138 7.161 1.849 1.00 0.00 N ATOM 0 H GLN A 119 9.558 3.067 1.786 1.00 0.00 H new ATOM 0 HA GLN A 119 12.100 2.138 1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.292 3.728 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.892 3.658 2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.963 4.642 0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.401 4.781 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.341 7.026 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.362 8.094 2.195 1.00 0.00 H new ATOM 632 N GLY A 120 10.806 0.762 3.654 1.00 0.00 N ATOM 633 CA GLY A 120 10.890 -0.430 4.470 1.00 0.00 C ATOM 634 C GLY A 120 11.828 -0.303 5.656 1.00 0.00 C ATOM 635 O GLY A 120 12.259 -1.312 6.213 1.00 0.00 O ATOM 0 H GLY A 120 9.918 1.259 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.893 -0.680 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 120 11.219 -1.262 3.847 1.00 0.00 H new ATOM 639 N GLU A 121 12.120 0.924 6.061 1.00 0.00 N ATOM 640 CA GLU A 121 13.040 1.169 7.164 1.00 0.00 C ATOM 641 C GLU A 121 12.410 0.709 8.468 1.00 0.00 C ATOM 642 O GLU A 121 13.005 -0.048 9.238 1.00 0.00 O ATOM 643 CB GLU A 121 13.380 2.658 7.250 1.00 0.00 C ATOM 644 CG GLU A 121 14.148 3.188 6.048 1.00 0.00 C ATOM 645 CD GLU A 121 15.581 2.699 6.010 1.00 0.00 C ATOM 646 OE1 GLU A 121 16.428 3.276 6.725 1.00 0.00 O ATOM 647 OE2 GLU A 121 15.872 1.745 5.263 1.00 0.00 O ATOM 0 H GLU A 121 11.732 1.769 5.641 1.00 0.00 H new ATOM 0 HA GLU A 121 13.958 0.609 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.456 3.226 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 121 13.968 2.834 8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 121 13.640 2.883 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 121 14.140 4.278 6.068 1.00 0.00 H new ATOM 654 N ASP A 122 11.189 1.163 8.688 1.00 0.00 N ATOM 655 CA ASP A 122 10.423 0.816 9.871 1.00 0.00 C ATOM 656 C ASP A 122 8.973 0.608 9.495 1.00 0.00 C ATOM 657 O ASP A 122 8.058 1.001 10.219 1.00 0.00 O ATOM 658 CB ASP A 122 10.540 1.905 10.943 1.00 0.00 C ATOM 659 CG ASP A 122 10.129 3.285 10.455 1.00 0.00 C ATOM 660 OD1 ASP A 122 10.664 3.747 9.426 1.00 0.00 O ATOM 661 OD2 ASP A 122 9.303 3.936 11.124 1.00 0.00 O ATOM 0 H ASP A 122 10.698 1.786 8.047 1.00 0.00 H new ATOM 0 HA ASP A 122 10.827 -0.108 10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 122 9.920 1.631 11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 122 11.570 1.946 11.297 1.00 0.00 H new ATOM 666 N LYS A 123 8.782 -0.033 8.351 1.00 0.00 N ATOM 667 CA LYS A 123 7.452 -0.336 7.831 1.00 0.00 C ATOM 668 C LYS A 123 6.584 -1.063 8.862 1.00 0.00 C ATOM 669 O LYS A 123 5.364 -0.939 8.841 1.00 0.00 O ATOM 670 CB LYS A 123 7.553 -1.159 6.529 1.00 0.00 C ATOM 671 CG LYS A 123 8.766 -2.085 6.450 1.00 0.00 C ATOM 672 CD LYS A 123 8.846 -2.999 7.645 1.00 0.00 C ATOM 673 CE LYS A 123 10.090 -3.857 7.645 1.00 0.00 C ATOM 674 NZ LYS A 123 10.031 -4.925 6.616 1.00 0.00 N ATOM 0 H LYS A 123 9.543 -0.359 7.755 1.00 0.00 H new ATOM 0 HA LYS A 123 6.966 0.614 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.649 -1.758 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.582 -0.472 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.711 -2.681 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 123 9.676 -1.489 6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.823 -2.401 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.966 -3.643 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.963 -3.229 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 123 10.219 -4.309 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.904 -5.489 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.213 -5.540 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.935 -4.495 5.674 1.00 0.00 H new ATOM 688 N ALA A 124 7.215 -1.791 9.782 1.00 0.00 N ATOM 689 CA ALA A 124 6.486 -2.560 10.778 1.00 0.00 C ATOM 690 C ALA A 124 5.766 -1.624 11.739 1.00 0.00 C ATOM 691 O ALA A 124 4.629 -1.873 12.142 1.00 0.00 O ATOM 692 CB ALA A 124 7.421 -3.485 11.540 1.00 0.00 C ATOM 0 H ALA A 124 8.230 -1.862 9.855 1.00 0.00 H new ATOM 0 HA ALA A 124 5.747 -3.174 10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.852 -4.049 12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.897 -4.176 10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.186 -2.894 12.045 1.00 0.00 H new ATOM 698 N LYS A 125 6.445 -0.537 12.081 1.00 0.00 N ATOM 699 CA LYS A 125 5.888 0.488 12.941 1.00 0.00 C ATOM 700 C LYS A 125 4.964 1.377 12.121 1.00 0.00 C ATOM 701 O LYS A 125 3.849 1.691 12.539 1.00 0.00 O ATOM 702 CB LYS A 125 7.033 1.304 13.572 1.00 0.00 C ATOM 703 CG LYS A 125 6.594 2.380 14.563 1.00 0.00 C ATOM 704 CD LYS A 125 6.108 3.643 13.864 1.00 0.00 C ATOM 705 CE LYS A 125 7.246 4.439 13.241 1.00 0.00 C ATOM 706 NZ LYS A 125 8.188 4.968 14.259 1.00 0.00 N ATOM 0 H LYS A 125 7.397 -0.345 11.768 1.00 0.00 H new ATOM 0 HA LYS A 125 5.309 0.035 13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 125 7.709 0.618 14.081 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.603 1.779 12.773 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.797 1.987 15.194 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.428 2.628 15.220 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.391 3.372 13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.580 4.271 14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 125 7.790 3.804 12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.834 5.268 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 8.777 5.712 13.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 7.651 5.365 15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.797 4.198 14.601 1.00 0.00 H new ATOM 720 N LEU A 126 5.438 1.757 10.938 1.00 0.00 N ATOM 721 CA LEU A 126 4.697 2.640 10.047 1.00 0.00 C ATOM 722 C LEU A 126 3.315 2.077 9.725 1.00 0.00 C ATOM 723 O LEU A 126 2.348 2.821 9.659 1.00 0.00 O ATOM 724 CB LEU A 126 5.490 2.876 8.758 1.00 0.00 C ATOM 725 CG LEU A 126 6.803 3.645 8.928 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.595 3.637 7.630 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.551 5.073 9.381 1.00 0.00 C ATOM 0 H LEU A 126 6.343 1.462 10.572 1.00 0.00 H new ATOM 0 HA LEU A 126 4.557 3.592 10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.710 1.910 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.858 3.420 8.057 1.00 0.00 H new ATOM 0 HG LEU A 126 7.386 3.144 9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.525 4.188 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.821 2.609 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.007 4.109 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.503 5.593 9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.941 5.588 8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.028 5.064 10.337 1.00 0.00 H new ATOM 739 N MET A 127 3.221 0.761 9.554 1.00 0.00 N ATOM 740 CA MET A 127 1.935 0.109 9.287 1.00 0.00 C ATOM 741 C MET A 127 0.875 0.534 10.299 1.00 0.00 C ATOM 742 O MET A 127 -0.255 0.852 9.935 1.00 0.00 O ATOM 743 CB MET A 127 2.082 -1.415 9.318 1.00 0.00 C ATOM 744 CG MET A 127 2.712 -2.006 8.067 1.00 0.00 C ATOM 745 SD MET A 127 1.502 -2.501 6.822 1.00 0.00 S ATOM 746 CE MET A 127 0.694 -0.945 6.443 1.00 0.00 C ATOM 0 H MET A 127 4.016 0.123 9.595 1.00 0.00 H new ATOM 0 HA MET A 127 1.615 0.421 8.293 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.686 -1.693 10.182 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.098 -1.861 9.461 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.392 -1.274 7.631 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.311 -2.873 8.345 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.068 -1.066 5.559 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.075 -0.641 7.287 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.447 -0.181 6.252 1.00 0.00 H new ATOM 756 N ARG A 128 1.255 0.552 11.567 1.00 0.00 N ATOM 757 CA ARG A 128 0.330 0.897 12.637 1.00 0.00 C ATOM 758 C ARG A 128 0.242 2.409 12.810 1.00 0.00 C ATOM 759 O ARG A 128 -0.830 2.953 13.078 1.00 0.00 O ATOM 760 CB ARG A 128 0.770 0.235 13.941 1.00 0.00 C ATOM 761 CG ARG A 128 0.849 -1.280 13.844 1.00 0.00 C ATOM 762 CD ARG A 128 1.296 -1.913 15.150 1.00 0.00 C ATOM 763 NE ARG A 128 1.396 -3.369 15.039 1.00 0.00 N ATOM 764 CZ ARG A 128 1.364 -4.203 16.078 1.00 0.00 C ATOM 765 NH1 ARG A 128 1.276 -3.727 17.315 1.00 0.00 N ATOM 766 NH2 ARG A 128 1.432 -5.512 15.882 1.00 0.00 N ATOM 0 H ARG A 128 2.200 0.331 11.882 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.661 0.529 12.371 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.746 0.626 14.229 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.072 0.506 14.733 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -0.127 -1.676 13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.544 -1.556 13.051 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.263 -1.503 15.441 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.590 -1.656 15.940 1.00 0.00 H new ATOM 0 HE ARG A 128 1.497 -3.771 14.107 1.00 0.00 H new ATOM 0 HH11 ARG A 128 1.233 -2.720 17.472 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.252 -4.368 18.108 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.509 -5.883 14.935 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.407 -6.149 16.678 1.00 0.00 H new ATOM 780 N ALA A 129 1.369 3.085 12.629 1.00 0.00 N ATOM 781 CA ALA A 129 1.440 4.532 12.796 1.00 0.00 C ATOM 782 C ALA A 129 0.696 5.264 11.683 1.00 0.00 C ATOM 783 O ALA A 129 0.395 6.448 11.806 1.00 0.00 O ATOM 784 CB ALA A 129 2.891 4.986 12.849 1.00 0.00 C ATOM 0 H ALA A 129 2.253 2.651 12.364 1.00 0.00 H new ATOM 0 HA ALA A 129 0.953 4.781 13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.929 6.068 12.974 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.392 4.506 13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.393 4.710 11.922 1.00 0.00 H new ATOM 790 N TYR A 130 0.412 4.570 10.595 1.00 0.00 N ATOM 791 CA TYR A 130 -0.322 5.172 9.488 1.00 0.00 C ATOM 792 C TYR A 130 -1.822 5.032 9.697 1.00 0.00 C ATOM 793 O TYR A 130 -2.611 5.798 9.147 1.00 0.00 O ATOM 794 CB TYR A 130 0.073 4.535 8.156 1.00 0.00 C ATOM 795 CG TYR A 130 1.465 4.885 7.673 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.382 5.528 8.497 1.00 0.00 C ATOM 797 CD2 TYR A 130 1.864 4.555 6.388 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.651 5.827 8.051 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.127 4.854 5.937 1.00 0.00 C ATOM 800 CZ TYR A 130 4.016 5.489 6.770 1.00 0.00 C ATOM 801 OH TYR A 130 5.273 5.783 6.317 1.00 0.00 O ATOM 0 H TYR A 130 0.675 3.595 10.451 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.064 6.231 9.459 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -0.002 3.452 8.251 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.647 4.839 7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.095 5.797 9.503 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.170 4.054 5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.354 6.324 8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.420 4.591 4.931 1.00 0.00 H new ATOM 0 HH TYR A 130 5.367 5.475 5.391 1.00 0.00 H new ATOM 811 N MET A 131 -2.210 4.061 10.513 1.00 0.00 N ATOM 812 CA MET A 131 -3.622 3.789 10.757 1.00 0.00 C ATOM 813 C MET A 131 -4.212 4.802 11.730 1.00 0.00 C ATOM 814 O MET A 131 -5.417 4.812 11.976 1.00 0.00 O ATOM 815 CB MET A 131 -3.811 2.368 11.299 1.00 0.00 C ATOM 816 CG MET A 131 -3.435 1.262 10.319 1.00 0.00 C ATOM 817 SD MET A 131 -4.753 0.838 9.149 1.00 0.00 S ATOM 818 CE MET A 131 -4.727 2.231 8.021 1.00 0.00 C ATOM 0 H MET A 131 -1.568 3.449 11.017 1.00 0.00 H new ATOM 0 HA MET A 131 -4.149 3.876 9.807 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.212 2.255 12.202 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.854 2.239 11.590 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.552 1.570 9.760 1.00 0.00 H new ATOM 0 HG3 MET A 131 -3.161 0.369 10.881 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.011 1.897 7.023 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.430 2.990 8.364 1.00 0.00 H new ATOM 0 HE3 MET A 131 -3.723 2.655 7.989 1.00 0.00 H new ATOM 828 N GLN A 132 -3.359 5.655 12.280 1.00 0.00 N ATOM 829 CA GLN A 132 -3.810 6.697 13.187 1.00 0.00 C ATOM 830 C GLN A 132 -3.921 8.027 12.449 1.00 0.00 C ATOM 831 O GLN A 132 -4.361 9.031 13.014 1.00 0.00 O ATOM 832 CB GLN A 132 -2.854 6.825 14.375 1.00 0.00 C ATOM 833 CG GLN A 132 -1.449 7.221 13.971 1.00 0.00 C ATOM 834 CD GLN A 132 -0.492 7.310 15.138 1.00 0.00 C ATOM 835 OE1 GLN A 132 -0.627 6.596 16.134 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.483 8.189 15.016 1.00 0.00 N ATOM 0 H GLN A 132 -2.353 5.645 12.113 1.00 0.00 H new ATOM 0 HA GLN A 132 -4.795 6.424 13.566 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.247 7.566 15.071 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.818 5.875 14.908 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.067 6.496 13.252 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.483 8.185 13.464 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.554 8.758 14.172 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.166 8.300 15.765 1.00 0.00 H new ATOM 845 N GLU A 133 -3.518 8.028 11.182 1.00 0.00 N ATOM 846 CA GLU A 133 -3.608 9.220 10.358 1.00 0.00 C ATOM 847 C GLU A 133 -4.767 9.075 9.390 1.00 0.00 C ATOM 848 O GLU A 133 -4.776 8.164 8.560 1.00 0.00 O ATOM 849 CB GLU A 133 -2.322 9.445 9.566 1.00 0.00 C ATOM 850 CG GLU A 133 -1.056 9.194 10.359 1.00 0.00 C ATOM 851 CD GLU A 133 0.095 10.054 9.888 1.00 0.00 C ATOM 852 OE1 GLU A 133 -0.067 11.290 9.836 1.00 0.00 O ATOM 853 OE2 GLU A 133 1.171 9.507 9.585 1.00 0.00 O ATOM 0 H GLU A 133 -3.126 7.215 10.707 1.00 0.00 H new ATOM 0 HA GLU A 133 -3.764 10.076 11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.327 8.792 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.310 10.471 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.246 9.391 11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.780 8.143 10.275 1.00 0.00 H new ATOM 860 N PRO A 134 -5.747 9.987 9.471 1.00 0.00 N ATOM 861 CA PRO A 134 -6.969 9.920 8.662 1.00 0.00 C ATOM 862 C PRO A 134 -6.674 9.890 7.168 1.00 0.00 C ATOM 863 O PRO A 134 -7.467 9.375 6.382 1.00 0.00 O ATOM 864 CB PRO A 134 -7.730 11.199 9.034 1.00 0.00 C ATOM 865 CG PRO A 134 -6.725 12.082 9.689 1.00 0.00 C ATOM 866 CD PRO A 134 -5.743 11.163 10.352 1.00 0.00 C ATOM 0 HA PRO A 134 -7.532 9.008 8.860 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.154 11.675 8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.559 10.981 9.707 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.230 12.721 8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.199 12.740 10.418 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.752 11.612 10.421 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.049 10.909 11.367 1.00 0.00 H new ATOM 874 N LEU A 135 -5.514 10.419 6.795 1.00 0.00 N ATOM 875 CA LEU A 135 -5.110 10.471 5.397 1.00 0.00 C ATOM 876 C LEU A 135 -4.865 9.068 4.865 1.00 0.00 C ATOM 877 O LEU A 135 -5.426 8.670 3.846 1.00 0.00 O ATOM 878 CB LEU A 135 -3.837 11.310 5.213 1.00 0.00 C ATOM 879 CG LEU A 135 -3.924 12.766 5.672 1.00 0.00 C ATOM 880 CD1 LEU A 135 -3.550 12.898 7.141 1.00 0.00 C ATOM 881 CD2 LEU A 135 -3.045 13.649 4.807 1.00 0.00 C ATOM 0 H LEU A 135 -4.836 10.819 7.444 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.921 10.940 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.025 10.826 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.567 11.298 4.157 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.956 13.097 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.620 13.943 7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.232 12.300 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.529 12.545 7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.119 14.682 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -2.010 13.316 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.374 13.585 3.770 1.00 0.00 H new ATOM 893 N PHE A 136 -4.051 8.304 5.580 1.00 0.00 N ATOM 894 CA PHE A 136 -3.661 6.988 5.109 1.00 0.00 C ATOM 895 C PHE A 136 -4.811 6.011 5.299 1.00 0.00 C ATOM 896 O PHE A 136 -4.945 5.042 4.554 1.00 0.00 O ATOM 897 CB PHE A 136 -2.413 6.500 5.842 1.00 0.00 C ATOM 898 CG PHE A 136 -1.712 5.372 5.139 1.00 0.00 C ATOM 899 CD1 PHE A 136 -1.954 4.056 5.494 1.00 0.00 C ATOM 900 CD2 PHE A 136 -0.808 5.635 4.121 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.307 3.021 4.847 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.160 4.605 3.471 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.408 3.297 3.835 1.00 0.00 C ATOM 0 H PHE A 136 -3.652 8.572 6.480 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.424 7.051 4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.720 7.333 5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.693 6.176 6.844 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.656 3.836 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.609 6.657 3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.504 1.998 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.541 4.822 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.100 2.490 3.329 1.00 0.00 H new ATOM 913 N VAL A 137 -5.647 6.282 6.294 1.00 0.00 N ATOM 914 CA VAL A 137 -6.842 5.484 6.525 1.00 0.00 C ATOM 915 C VAL A 137 -7.748 5.518 5.297 1.00 0.00 C ATOM 916 O VAL A 137 -8.260 4.483 4.868 1.00 0.00 O ATOM 917 CB VAL A 137 -7.624 5.973 7.765 1.00 0.00 C ATOM 918 CG1 VAL A 137 -8.913 5.184 7.940 1.00 0.00 C ATOM 919 CG2 VAL A 137 -6.762 5.864 9.014 1.00 0.00 C ATOM 0 H VAL A 137 -5.518 7.049 6.954 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.520 4.459 6.711 1.00 0.00 H new ATOM 0 HB VAL A 137 -7.884 7.020 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -9.445 5.547 8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.540 5.312 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.678 4.127 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.328 6.212 9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.471 4.825 9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -5.869 6.477 8.894 1.00 0.00 H new ATOM 929 N GLU A 138 -7.914 6.703 4.711 1.00 0.00 N ATOM 930 CA GLU A 138 -8.737 6.847 3.513 1.00 0.00 C ATOM 931 C GLU A 138 -8.117 6.083 2.357 1.00 0.00 C ATOM 932 O GLU A 138 -8.799 5.335 1.658 1.00 0.00 O ATOM 933 CB GLU A 138 -8.899 8.319 3.130 1.00 0.00 C ATOM 934 CG GLU A 138 -9.652 9.126 4.166 1.00 0.00 C ATOM 935 CD GLU A 138 -9.829 10.576 3.771 1.00 0.00 C ATOM 936 OE1 GLU A 138 -10.790 10.888 3.036 1.00 0.00 O ATOM 937 OE2 GLU A 138 -9.017 11.416 4.212 1.00 0.00 O ATOM 0 H GLU A 138 -7.493 7.570 5.044 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.723 6.437 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -7.913 8.760 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.424 8.384 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -10.632 8.677 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -9.119 9.076 5.115 1.00 0.00 H new ATOM 944 N PHE A 139 -6.817 6.267 2.180 1.00 0.00 N ATOM 945 CA PHE A 139 -6.072 5.588 1.127 1.00 0.00 C ATOM 946 C PHE A 139 -6.220 4.077 1.256 1.00 0.00 C ATOM 947 O PHE A 139 -6.523 3.381 0.285 1.00 0.00 O ATOM 948 CB PHE A 139 -4.595 5.995 1.204 1.00 0.00 C ATOM 949 CG PHE A 139 -3.678 5.200 0.315 1.00 0.00 C ATOM 950 CD1 PHE A 139 -2.859 4.218 0.848 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.628 5.443 -1.047 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.010 3.490 0.038 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.781 4.717 -1.863 1.00 0.00 C ATOM 954 CZ PHE A 139 -1.970 3.739 -1.319 1.00 0.00 C ATOM 0 H PHE A 139 -6.250 6.887 2.758 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.473 5.883 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.508 7.050 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.257 5.894 2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -2.885 4.020 1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.258 6.208 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -1.378 2.726 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.753 4.914 -2.925 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.307 3.171 -1.954 1.00 0.00 H new ATOM 964 N ALA A 140 -6.043 3.587 2.473 1.00 0.00 N ATOM 965 CA ALA A 140 -6.085 2.163 2.742 1.00 0.00 C ATOM 966 C ALA A 140 -7.485 1.596 2.557 1.00 0.00 C ATOM 967 O ALA A 140 -7.659 0.566 1.911 1.00 0.00 O ATOM 968 CB ALA A 140 -5.578 1.884 4.147 1.00 0.00 C ATOM 0 H ALA A 140 -5.867 4.163 3.296 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.435 1.666 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.613 0.812 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.551 2.236 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.206 2.404 4.870 1.00 0.00 H new ATOM 974 N ASP A 141 -8.483 2.284 3.090 1.00 0.00 N ATOM 975 CA ASP A 141 -9.854 1.788 3.040 1.00 0.00 C ATOM 976 C ASP A 141 -10.357 1.769 1.605 1.00 0.00 C ATOM 977 O ASP A 141 -11.122 0.890 1.214 1.00 0.00 O ATOM 978 CB ASP A 141 -10.775 2.650 3.908 1.00 0.00 C ATOM 979 CG ASP A 141 -12.220 2.186 3.872 1.00 0.00 C ATOM 980 OD1 ASP A 141 -13.033 2.805 3.150 1.00 0.00 O ATOM 981 OD2 ASP A 141 -12.555 1.206 4.570 1.00 0.00 O ATOM 0 H ASP A 141 -8.373 3.183 3.560 1.00 0.00 H new ATOM 0 HA ASP A 141 -9.863 0.771 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.418 2.632 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.722 3.685 3.570 1.00 0.00 H new ATOM 986 N CYS A 142 -9.881 2.720 0.815 1.00 0.00 N ATOM 987 CA CYS A 142 -10.333 2.872 -0.558 1.00 0.00 C ATOM 988 C CYS A 142 -9.704 1.830 -1.477 1.00 0.00 C ATOM 989 O CYS A 142 -10.390 1.248 -2.317 1.00 0.00 O ATOM 990 CB CYS A 142 -10.019 4.279 -1.059 1.00 0.00 C ATOM 991 SG CYS A 142 -11.024 5.572 -0.294 1.00 0.00 S ATOM 0 H CYS A 142 -9.178 3.401 1.104 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.412 2.716 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.967 4.493 -0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -10.165 4.310 -2.139 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.477 5.941 0.826 1.00 0.00 H new ATOM 997 N CYS A 143 -8.406 1.582 -1.312 1.00 0.00 N ATOM 998 CA CYS A 143 -7.704 0.643 -2.181 1.00 0.00 C ATOM 999 C CYS A 143 -8.236 -0.777 -2.004 1.00 0.00 C ATOM 1000 O CYS A 143 -8.192 -1.580 -2.933 1.00 0.00 O ATOM 1001 CB CYS A 143 -6.194 0.690 -1.929 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.694 0.264 -0.248 1.00 0.00 S ATOM 0 H CYS A 143 -7.825 2.013 -0.593 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.888 0.944 -3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.703 0.008 -2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.833 1.693 -2.158 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.723 0.340 0.543 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.769 -1.070 -0.819 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.317 -2.393 -0.528 1.00 0.00 C ATOM 1010 C LEU A 144 -10.506 -2.700 -1.430 1.00 0.00 C ATOM 1011 O LEU A 144 -10.658 -3.821 -1.910 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.743 -2.485 0.939 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.634 -2.210 1.957 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -9.169 -2.327 3.373 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.466 -3.159 1.748 1.00 0.00 C ATOM 0 H LEU A 144 -8.833 -0.409 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.536 -3.129 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.555 -1.778 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -10.144 -3.482 1.123 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.277 -1.191 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.366 -2.128 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.971 -1.603 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.555 -3.334 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.689 -2.946 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.807 -4.187 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.063 -3.025 0.744 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.334 -1.692 -1.672 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.484 -1.869 -2.537 1.00 0.00 C ATOM 1029 C GLY A 145 -12.092 -1.945 -3.996 1.00 0.00 C ATOM 1030 O GLY A 145 -12.885 -2.341 -4.842 1.00 0.00 O ATOM 0 H GLY A 145 -11.230 -0.754 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -13.012 -2.780 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.178 -1.041 -2.391 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.867 -1.547 -4.295 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.359 -1.595 -5.654 1.00 0.00 C ATOM 1036 C ILE A 146 -9.668 -2.932 -5.920 1.00 0.00 C ATOM 1037 O ILE A 146 -9.834 -3.531 -6.984 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.381 -0.434 -5.908 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.042 0.888 -5.509 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -8.958 -0.402 -7.370 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.100 2.068 -5.500 1.00 0.00 C ATOM 0 H ILE A 146 -10.203 -1.185 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.203 -1.495 -6.337 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.487 -0.582 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.861 1.095 -6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.480 0.778 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.267 0.425 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.467 -1.340 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.837 -0.268 -8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.644 2.966 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.294 1.885 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.681 2.206 -6.497 1.00 0.00 H new ATOM 1053 N VAL A 147 -8.920 -3.408 -4.931 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.223 -4.689 -5.037 1.00 0.00 C ATOM 1055 C VAL A 147 -9.125 -5.835 -4.602 1.00 0.00 C ATOM 1056 O VAL A 147 -8.658 -6.954 -4.396 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.930 -4.717 -4.198 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -5.978 -3.616 -4.640 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -7.244 -4.595 -2.714 1.00 0.00 C ATOM 0 H VAL A 147 -8.779 -2.926 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 147 -7.955 -4.811 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.440 -5.677 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -5.072 -3.654 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.720 -3.758 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.459 -2.646 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -6.316 -4.617 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.762 -3.654 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.879 -5.426 -2.407 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.412 -5.527 -4.466 1.00 0.00 N ATOM 1070 CA GLU A 148 -11.437 -6.497 -4.078 1.00 0.00 C ATOM 1071 C GLU A 148 -11.258 -7.843 -4.790 1.00 0.00 C ATOM 1072 O GLU A 148 -11.402 -7.943 -6.013 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.825 -5.929 -4.405 1.00 0.00 C ATOM 1074 CG GLU A 148 -12.966 -5.471 -5.854 1.00 0.00 C ATOM 1075 CD GLU A 148 -14.393 -5.165 -6.252 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -14.743 -3.975 -6.362 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -15.168 -6.119 -6.484 1.00 0.00 O ATOM 0 H GLU A 148 -10.778 -4.588 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 148 -11.338 -6.673 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -13.579 -6.689 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -13.030 -5.087 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -12.355 -4.581 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -12.571 -6.245 -6.512 1.00 0.00 H new ATOM 1084 N PRO A 149 -10.910 -8.894 -4.031 1.00 0.00 N ATOM 1085 CA PRO A 149 -10.770 -10.242 -4.576 1.00 0.00 C ATOM 1086 C PRO A 149 -12.129 -10.869 -4.875 1.00 0.00 C ATOM 1087 O PRO A 149 -12.313 -11.523 -5.902 1.00 0.00 O ATOM 1088 CB PRO A 149 -10.046 -11.006 -3.465 1.00 0.00 C ATOM 1089 CG PRO A 149 -10.391 -10.282 -2.207 1.00 0.00 C ATOM 1090 CD PRO A 149 -10.603 -8.840 -2.587 1.00 0.00 C ATOM 0 HA PRO A 149 -10.232 -10.255 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 149 -10.372 -12.045 -3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 149 -8.969 -11.016 -3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 149 -11.290 -10.700 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 149 -9.590 -10.376 -1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 149 -11.421 -8.394 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 149 -9.715 -8.240 -2.390 1.00 0.00 H new ATOM 1098 N SER A 150 -13.075 -10.658 -3.967 1.00 0.00 N ATOM 1099 CA SER A 150 -14.442 -11.129 -4.139 1.00 0.00 C ATOM 1100 C SER A 150 -15.386 -10.288 -3.284 1.00 0.00 C ATOM 1101 O SER A 150 -15.793 -10.695 -2.197 1.00 0.00 O ATOM 1102 CB SER A 150 -14.558 -12.612 -3.763 1.00 0.00 C ATOM 1103 OG SER A 150 -13.727 -13.416 -4.587 1.00 0.00 O ATOM 0 H SER A 150 -12.915 -10.157 -3.093 1.00 0.00 H new ATOM 0 HA SER A 150 -14.720 -11.024 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 150 -14.280 -12.748 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 150 -15.594 -12.935 -3.861 1.00 0.00 H new ATOM 0 HG SER A 150 -13.255 -12.847 -5.230 1.00 0.00 H new ATOM 1109 N GLN A 151 -15.702 -9.096 -3.765 1.00 0.00 N ATOM 1110 CA GLN A 151 -16.592 -8.195 -3.050 1.00 0.00 C ATOM 1111 C GLN A 151 -18.017 -8.347 -3.558 1.00 0.00 C ATOM 1112 O GLN A 151 -18.239 -8.494 -4.760 1.00 0.00 O ATOM 1113 CB GLN A 151 -16.138 -6.746 -3.234 1.00 0.00 C ATOM 1114 CG GLN A 151 -17.034 -5.734 -2.541 1.00 0.00 C ATOM 1115 CD GLN A 151 -16.825 -4.324 -3.052 1.00 0.00 C ATOM 1116 OE1 GLN A 151 -17.480 -3.896 -4.000 1.00 0.00 O ATOM 1117 NE2 GLN A 151 -15.915 -3.593 -2.432 1.00 0.00 N ATOM 0 H GLN A 151 -15.354 -8.729 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 151 -16.560 -8.450 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -15.123 -6.641 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -16.103 -6.518 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -18.076 -6.018 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -16.843 -5.760 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -15.393 -3.986 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -15.735 -2.636 -2.737 1.00 0.00 H new ATOM 1126 N ASN A 152 -18.978 -8.321 -2.649 1.00 0.00 N ATOM 1127 CA ASN A 152 -20.379 -8.352 -3.037 1.00 0.00 C ATOM 1128 C ASN A 152 -20.981 -6.965 -2.927 1.00 0.00 C ATOM 1129 O ASN A 152 -20.916 -6.331 -1.873 1.00 0.00 O ATOM 1130 CB ASN A 152 -21.182 -9.329 -2.173 1.00 0.00 C ATOM 1131 CG ASN A 152 -22.657 -9.356 -2.545 1.00 0.00 C ATOM 1132 OD1 ASN A 152 -23.074 -10.113 -3.421 1.00 0.00 O ATOM 1133 ND2 ASN A 152 -23.459 -8.530 -1.885 1.00 0.00 N ATOM 0 H ASN A 152 -18.815 -8.279 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 152 -20.427 -8.693 -4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -20.765 -10.331 -2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -21.080 -9.051 -1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -24.456 -8.509 -2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -23.078 -7.916 -1.165 1.00 0.00 H new ATOM 1140 N GLU A 153 -21.547 -6.493 -4.019 1.00 0.00 N ATOM 1141 CA GLU A 153 -22.235 -5.215 -4.026 1.00 0.00 C ATOM 1142 C GLU A 153 -23.737 -5.444 -4.115 1.00 0.00 C ATOM 1143 O GLU A 153 -24.184 -6.446 -4.680 1.00 0.00 O ATOM 1144 CB GLU A 153 -21.762 -4.346 -5.195 1.00 0.00 C ATOM 1145 CG GLU A 153 -21.937 -5.000 -6.554 1.00 0.00 C ATOM 1146 CD GLU A 153 -21.820 -4.010 -7.692 1.00 0.00 C ATOM 1147 OE1 GLU A 153 -20.694 -3.761 -8.165 1.00 0.00 O ATOM 1148 OE2 GLU A 153 -22.862 -3.478 -8.124 1.00 0.00 O ATOM 0 H GLU A 153 -21.545 -6.976 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 153 -22.004 -4.689 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -22.311 -3.405 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -20.709 -4.103 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -21.187 -5.781 -6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -22.912 -5.485 -6.597 1.00 0.00 H new ATOM 1155 N GLU A 154 -24.509 -4.533 -3.549 1.00 0.00 N ATOM 1156 CA GLU A 154 -25.950 -4.642 -3.577 1.00 0.00 C ATOM 1157 C GLU A 154 -26.568 -3.258 -3.469 1.00 0.00 C ATOM 1158 O GLU A 154 -25.924 -2.313 -3.009 1.00 0.00 O ATOM 1159 CB GLU A 154 -26.467 -5.562 -2.456 1.00 0.00 C ATOM 1160 CG GLU A 154 -26.325 -5.004 -1.043 1.00 0.00 C ATOM 1161 CD GLU A 154 -24.886 -4.813 -0.607 1.00 0.00 C ATOM 1162 OE1 GLU A 154 -24.161 -5.817 -0.463 1.00 0.00 O ATOM 1163 OE2 GLU A 154 -24.480 -3.654 -0.380 1.00 0.00 O ATOM 0 H GLU A 154 -24.157 -3.708 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 154 -26.245 -5.092 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -27.519 -5.778 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -25.933 -6.511 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -26.843 -4.047 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -26.821 -5.677 -0.344 1.00 0.00 H new ATOM 1170 N SER A 155 -27.801 -3.148 -3.915 1.00 0.00 N ATOM 1171 CA SER A 155 -28.522 -1.888 -3.898 1.00 0.00 C ATOM 1172 C SER A 155 -28.752 -1.411 -2.466 1.00 0.00 C ATOM 1173 O SER A 155 -29.554 -2.043 -1.747 1.00 0.00 O ATOM 1174 CB SER A 155 -29.854 -2.054 -4.627 1.00 0.00 C ATOM 1175 OG SER A 155 -29.653 -2.598 -5.924 1.00 0.00 O ATOM 1176 OXT SER A 155 -28.124 -0.408 -2.064 1.00 0.00 O ATOM 0 H SER A 155 -28.334 -3.928 -4.300 1.00 0.00 H new ATOM 0 HA SER A 155 -27.924 -1.133 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 155 -30.510 -2.707 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 155 -30.354 -1.089 -4.706 1.00 0.00 H new ATOM 0 HG SER A 155 -30.518 -2.698 -6.374 1.00 0.00 H new TER 1182 SER A 155 ATOM 1183 N ASP B 462 -10.165 -8.395 8.413 1.00 0.00 N ATOM 1184 CA ASP B 462 -8.975 -8.566 9.278 1.00 0.00 C ATOM 1185 C ASP B 462 -7.994 -7.440 9.035 1.00 0.00 C ATOM 1186 O ASP B 462 -7.530 -7.239 7.913 1.00 0.00 O ATOM 1187 CB ASP B 462 -8.299 -9.906 9.007 1.00 0.00 C ATOM 1188 CG ASP B 462 -7.043 -10.105 9.820 1.00 0.00 C ATOM 1189 OD1 ASP B 462 -7.088 -10.859 10.815 1.00 0.00 O ATOM 1190 OD2 ASP B 462 -6.008 -9.525 9.465 1.00 0.00 O ATOM 0 HA ASP B 462 -9.300 -8.545 10.318 1.00 0.00 H new ATOM 0 HB2 ASP B 462 -9.000 -10.712 9.227 1.00 0.00 H new ATOM 0 HB3 ASP B 462 -8.055 -9.976 7.947 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.649 -6.746 10.100 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.898 -5.509 9.996 1.00 0.00 C ATOM 1199 C ILE B 463 -5.431 -5.776 9.700 1.00 0.00 C ATOM 1200 O ILE B 463 -4.792 -5.009 8.980 1.00 0.00 O ATOM 1201 CB ILE B 463 -7.030 -4.662 11.282 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -8.505 -4.360 11.557 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -6.235 -3.366 11.161 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -8.748 -3.624 12.857 1.00 0.00 C ATOM 0 H ILE B 463 -7.878 -7.019 11.056 1.00 0.00 H new ATOM 0 HA ILE B 463 -7.322 -4.946 9.165 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.622 -5.232 12.117 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -8.904 -3.766 10.735 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -9.061 -5.297 11.572 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -6.343 -2.786 12.078 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -5.182 -3.599 11.000 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -6.611 -2.786 10.318 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -9.816 -3.447 12.980 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -8.381 -4.225 13.689 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -8.222 -2.670 12.839 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.897 -6.882 10.210 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.485 -7.165 9.999 1.00 0.00 C ATOM 1218 C ARG B 464 -3.274 -7.529 8.535 1.00 0.00 C ATOM 1219 O ARG B 464 -2.282 -7.137 7.923 1.00 0.00 O ATOM 1220 CB ARG B 464 -2.955 -8.260 10.963 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.332 -9.702 10.622 1.00 0.00 C ATOM 1222 CD ARG B 464 -2.423 -10.284 9.548 1.00 0.00 C ATOM 1223 NE ARG B 464 -2.854 -11.609 9.104 1.00 0.00 N ATOM 1224 CZ ARG B 464 -2.793 -12.026 7.837 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -2.311 -11.227 6.890 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -3.205 -13.247 7.522 1.00 0.00 N ATOM 0 H ARG B 464 -5.405 -7.578 10.757 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.902 -6.273 10.231 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -1.868 -8.189 10.997 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -3.320 -8.039 11.966 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -3.272 -10.316 11.521 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -4.367 -9.736 10.281 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -2.398 -9.609 8.693 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -1.405 -10.347 9.934 1.00 0.00 H new ATOM 0 HE ARG B 464 -3.223 -12.253 9.804 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -1.986 -10.291 7.130 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -2.267 -11.551 5.924 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -3.568 -13.866 8.247 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -3.159 -13.567 6.555 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.245 -8.253 7.979 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.245 -8.619 6.571 1.00 0.00 C ATOM 1242 C HIS B 465 -4.391 -7.382 5.703 1.00 0.00 C ATOM 1243 O HIS B 465 -3.659 -7.205 4.731 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.376 -9.615 6.279 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.718 -9.748 4.824 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.010 -10.532 3.944 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -6.705 -9.172 4.100 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -5.543 -10.434 2.742 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -6.575 -9.616 2.809 1.00 0.00 N ATOM 0 H HIS B 465 -5.053 -8.600 8.496 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.294 -9.096 6.336 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.091 -10.594 6.665 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.268 -9.305 6.823 1.00 0.00 H new ATOM 0 HD1 HIS B 465 -4.198 -11.101 4.184 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -7.456 -8.489 4.470 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -5.194 -10.938 1.853 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.341 -6.534 6.063 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.597 -5.319 5.311 1.00 0.00 C ATOM 1260 C GLU B 466 -4.349 -4.442 5.262 1.00 0.00 C ATOM 1261 O GLU B 466 -4.062 -3.833 4.239 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.785 -4.564 5.912 1.00 0.00 C ATOM 1263 CG GLU B 466 -8.113 -5.279 5.693 1.00 0.00 C ATOM 1264 CD GLU B 466 -9.249 -4.713 6.522 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -9.571 -3.517 6.367 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.854 -5.474 7.311 1.00 0.00 O ATOM 0 H GLU B 466 -5.947 -6.666 6.872 1.00 0.00 H new ATOM 0 HA GLU B 466 -5.851 -5.588 4.286 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.621 -4.431 6.981 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -6.837 -3.568 5.471 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.379 -5.219 4.638 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -7.991 -6.336 5.931 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.588 -4.420 6.353 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.363 -3.627 6.409 1.00 0.00 C ATOM 1275 C ARG B 467 -1.295 -4.159 5.451 1.00 0.00 C ATOM 1276 O ARG B 467 -0.702 -3.388 4.699 1.00 0.00 O ATOM 1277 CB ARG B 467 -1.803 -3.566 7.832 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.674 -2.773 8.797 1.00 0.00 C ATOM 1279 CD ARG B 467 -1.995 -2.579 10.144 1.00 0.00 C ATOM 1280 NE ARG B 467 -1.521 -3.840 10.714 1.00 0.00 N ATOM 1281 CZ ARG B 467 -1.673 -4.192 11.991 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -2.307 -3.395 12.841 1.00 0.00 N ATOM 1283 NH2 ARG B 467 -1.179 -5.347 12.418 1.00 0.00 N ATOM 0 H ARG B 467 -3.796 -4.939 7.206 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.630 -2.618 6.094 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -1.687 -4.581 8.211 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -0.809 -3.120 7.803 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -2.904 -1.800 8.363 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -3.622 -3.291 8.940 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -1.153 -1.896 10.029 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -2.694 -2.110 10.836 1.00 0.00 H new ATOM 0 HE ARG B 467 -1.043 -4.493 10.094 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -2.684 -2.503 12.520 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -2.418 -3.674 13.816 1.00 0.00 H new ATOM 0 HH21 ARG B 467 -0.685 -5.961 11.770 1.00 0.00 H new ATOM 0 HH22 ARG B 467 -1.293 -5.621 13.394 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.060 -5.472 5.445 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.014 -6.030 4.590 1.00 0.00 C ATOM 1299 C ASN B 468 -0.483 -6.052 3.145 1.00 0.00 C ATOM 1300 O ASN B 468 0.318 -6.145 2.217 1.00 0.00 O ATOM 1301 CB ASN B 468 0.435 -7.428 5.046 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.660 -8.481 5.024 1.00 0.00 C ATOM 1303 OD1 ASN B 468 -1.338 -8.702 6.020 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -0.821 -9.154 3.898 1.00 0.00 N ATOM 0 H ASN B 468 -1.567 -6.154 6.009 1.00 0.00 H new ATOM 0 HA ASN B 468 0.860 -5.383 4.673 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.253 -7.759 4.406 1.00 0.00 H new ATOM 0 HB3 ASN B 468 0.832 -7.356 6.059 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.529 -9.886 3.838 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -0.237 -8.942 3.089 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.791 -5.964 2.969 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.385 -5.775 1.660 1.00 0.00 C ATOM 1313 C VAL B 469 -2.021 -4.394 1.104 1.00 0.00 C ATOM 1314 O VAL B 469 -1.801 -4.231 -0.102 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.921 -5.951 1.736 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.640 -5.065 0.736 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.292 -7.405 1.512 1.00 0.00 C ATOM 0 H VAL B 469 -2.468 -6.022 3.729 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.988 -6.531 0.982 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.240 -5.647 2.733 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.716 -5.218 0.821 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.405 -4.020 0.941 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.316 -5.319 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.375 -7.517 1.568 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.945 -7.722 0.529 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.824 -8.022 2.279 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.926 -3.411 1.997 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.577 -2.050 1.607 1.00 0.00 C ATOM 1329 C ILE B 470 -0.153 -2.003 1.058 1.00 0.00 C ATOM 1330 O ILE B 470 0.161 -1.180 0.198 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.701 -1.060 2.788 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -3.072 -1.176 3.458 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.475 0.366 2.311 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.237 -1.011 2.507 1.00 0.00 C ATOM 0 H ILE B 470 -2.086 -3.534 2.997 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.283 -1.748 0.833 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.936 -1.314 3.522 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -3.147 -2.149 3.943 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.147 -0.423 4.242 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.566 1.050 3.154 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.478 0.452 1.880 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.219 0.620 1.556 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.173 -1.106 3.058 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.189 -0.027 2.040 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.190 -1.781 1.737 1.00 0.00 H new ATOM 1346 N LEU B 471 0.699 -2.904 1.547 1.00 0.00 N ATOM 1347 CA LEU B 471 2.077 -2.997 1.072 1.00 0.00 C ATOM 1348 C LEU B 471 2.111 -3.200 -0.436 1.00 0.00 C ATOM 1349 O LEU B 471 2.922 -2.596 -1.134 1.00 0.00 O ATOM 1350 CB LEU B 471 2.813 -4.150 1.760 1.00 0.00 C ATOM 1351 CG LEU B 471 2.954 -4.027 3.277 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.610 -5.273 3.851 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.761 -2.791 3.643 1.00 0.00 C ATOM 0 H LEU B 471 0.458 -3.580 2.272 1.00 0.00 H new ATOM 0 HA LEU B 471 2.578 -2.061 1.318 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.288 -5.079 1.535 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.809 -4.233 1.325 1.00 0.00 H new ATOM 0 HG LEU B 471 1.957 -3.927 3.706 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.703 -5.170 4.932 1.00 0.00 H new ATOM 0 HD12 LEU B 471 2.998 -6.145 3.621 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.600 -5.398 3.412 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.850 -2.722 4.727 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.755 -2.862 3.202 1.00 0.00 H new ATOM 0 HD23 LEU B 471 3.258 -1.902 3.263 1.00 0.00 H new ATOM 1365 N GLN B 472 1.211 -4.039 -0.933 1.00 0.00 N ATOM 1366 CA GLN B 472 1.116 -4.301 -2.365 1.00 0.00 C ATOM 1367 C GLN B 472 0.703 -3.046 -3.116 1.00 0.00 C ATOM 1368 O GLN B 472 1.275 -2.719 -4.151 1.00 0.00 O ATOM 1369 CB GLN B 472 0.119 -5.427 -2.652 1.00 0.00 C ATOM 1370 CG GLN B 472 0.684 -6.827 -2.457 1.00 0.00 C ATOM 1371 CD GLN B 472 1.106 -7.104 -1.029 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.253 -6.870 -0.651 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.181 -7.602 -0.227 1.00 0.00 N ATOM 0 H GLN B 472 0.535 -4.551 -0.366 1.00 0.00 H new ATOM 0 HA GLN B 472 2.102 -4.611 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.748 -5.304 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN B 472 -0.235 -5.330 -3.678 1.00 0.00 H new ATOM 0 HG2 GLN B 472 -0.065 -7.560 -2.757 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.542 -6.961 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.759 -7.781 -0.581 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.407 -7.807 0.746 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.280 -2.343 -2.575 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.787 -1.122 -3.188 1.00 0.00 C ATOM 1384 C CYS B 473 0.305 -0.052 -3.241 1.00 0.00 C ATOM 1385 O CYS B 473 0.608 0.500 -4.299 1.00 0.00 O ATOM 1386 CB CYS B 473 -1.990 -0.618 -2.389 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.273 -1.873 -2.138 1.00 0.00 S ATOM 0 H CYS B 473 -0.747 -2.599 -1.705 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.097 -1.337 -4.211 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.647 -0.262 -1.418 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.426 0.237 -2.906 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.818 -2.809 -1.358 1.00 0.00 H new ATOM 1393 N VAL B 474 0.898 0.204 -2.084 1.00 0.00 N ATOM 1394 CA VAL B 474 1.977 1.170 -1.931 1.00 0.00 C ATOM 1395 C VAL B 474 3.149 0.856 -2.855 1.00 0.00 C ATOM 1396 O VAL B 474 3.559 1.693 -3.660 1.00 0.00 O ATOM 1397 CB VAL B 474 2.462 1.185 -0.463 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.817 1.860 -0.324 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.425 1.859 0.424 1.00 0.00 C ATOM 0 H VAL B 474 0.640 -0.260 -1.213 1.00 0.00 H new ATOM 0 HA VAL B 474 1.588 2.151 -2.203 1.00 0.00 H new ATOM 0 HB VAL B 474 2.584 0.152 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL B 474 4.123 1.850 0.722 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.554 1.324 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.747 2.891 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL B 474 1.777 1.864 1.456 1.00 0.00 H new ATOM 0 HG22 VAL B 474 1.270 2.884 0.088 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.484 1.312 0.364 1.00 0.00 H new ATOM 1409 N ARG B 475 3.664 -0.363 -2.755 1.00 0.00 N ATOM 1410 CA ARG B 475 4.855 -0.743 -3.499 1.00 0.00 C ATOM 1411 C ARG B 475 4.570 -0.824 -4.991 1.00 0.00 C ATOM 1412 O ARG B 475 5.482 -0.758 -5.805 1.00 0.00 O ATOM 1413 CB ARG B 475 5.427 -2.068 -2.986 1.00 0.00 C ATOM 1414 CG ARG B 475 5.956 -1.985 -1.562 1.00 0.00 C ATOM 1415 CD ARG B 475 6.673 -3.261 -1.142 1.00 0.00 C ATOM 1416 NE ARG B 475 5.792 -4.430 -1.156 1.00 0.00 N ATOM 1417 CZ ARG B 475 6.008 -5.535 -0.442 1.00 0.00 C ATOM 1418 NH1 ARG B 475 7.060 -5.616 0.366 1.00 0.00 N ATOM 1419 NH2 ARG B 475 5.163 -6.556 -0.528 1.00 0.00 N ATOM 0 H ARG B 475 3.277 -1.102 -2.168 1.00 0.00 H new ATOM 0 HA ARG B 475 5.603 0.034 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG B 475 4.652 -2.833 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG B 475 6.232 -2.388 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG B 475 6.641 -1.141 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG B 475 5.129 -1.793 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG B 475 7.516 -3.437 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG B 475 7.083 -3.131 -0.140 1.00 0.00 H new ATOM 0 HE ARG B 475 4.962 -4.397 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG B 475 7.706 -4.831 0.442 1.00 0.00 H new ATOM 0 HH12 ARG B 475 7.221 -6.464 0.910 1.00 0.00 H new ATOM 0 HH21 ARG B 475 4.349 -6.494 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG B 475 5.328 -7.402 0.018 1.00 0.00 H new ATOM 1433 N TYR B 476 3.306 -0.961 -5.356 1.00 0.00 N ATOM 1434 CA TYR B 476 2.933 -0.972 -6.752 1.00 0.00 C ATOM 1435 C TYR B 476 3.023 0.438 -7.333 1.00 0.00 C ATOM 1436 O TYR B 476 3.740 0.668 -8.306 1.00 0.00 O ATOM 1437 CB TYR B 476 1.521 -1.547 -6.915 1.00 0.00 C ATOM 1438 CG TYR B 476 0.783 -1.020 -8.119 1.00 0.00 C ATOM 1439 CD1 TYR B 476 -0.110 0.026 -7.980 1.00 0.00 C ATOM 1440 CD2 TYR B 476 0.996 -1.544 -9.384 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -0.777 0.545 -9.070 1.00 0.00 C ATOM 1442 CE2 TYR B 476 0.330 -1.038 -10.482 1.00 0.00 C ATOM 1443 CZ TYR B 476 -0.553 0.009 -10.322 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.211 0.522 -11.416 1.00 0.00 O ATOM 0 H TYR B 476 2.528 -1.065 -4.705 1.00 0.00 H new ATOM 0 HA TYR B 476 3.626 -1.609 -7.302 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.587 -2.633 -6.988 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.942 -1.323 -6.019 1.00 0.00 H new ATOM 0 HD1 TYR B 476 -0.289 0.444 -7.000 1.00 0.00 H new ATOM 0 HD2 TYR B 476 1.693 -2.359 -9.513 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -1.469 1.364 -8.945 1.00 0.00 H new ATOM 0 HE2 TYR B 476 0.500 -1.460 -11.462 1.00 0.00 H new ATOM 0 HH TYR B 476 -0.939 0.032 -12.220 1.00 0.00 H new ATOM 1454 N ILE B 477 2.325 1.384 -6.706 1.00 0.00 N ATOM 1455 CA ILE B 477 2.217 2.741 -7.232 1.00 0.00 C ATOM 1456 C ILE B 477 3.584 3.400 -7.342 1.00 0.00 C ATOM 1457 O ILE B 477 4.021 3.772 -8.431 1.00 0.00 O ATOM 1458 CB ILE B 477 1.318 3.622 -6.344 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.053 2.973 -6.158 1.00 0.00 C ATOM 1460 CG2 ILE B 477 1.169 5.011 -6.953 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -0.944 3.717 -5.196 1.00 0.00 C ATOM 0 H ILE B 477 1.825 1.233 -5.830 1.00 0.00 H new ATOM 0 HA ILE B 477 1.771 2.655 -8.223 1.00 0.00 H new ATOM 0 HB ILE B 477 1.789 3.719 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.550 2.909 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE B 477 0.082 1.952 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.531 5.622 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE B 477 2.150 5.478 -7.039 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.719 4.928 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -1.900 3.201 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.467 3.759 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.110 4.730 -5.563 1.00 0.00 H new ATOM 1473 N ILE B 478 4.263 3.502 -6.209 1.00 0.00 N ATOM 1474 CA ILE B 478 5.553 4.182 -6.124 1.00 0.00 C ATOM 1475 C ILE B 478 6.547 3.639 -7.137 1.00 0.00 C ATOM 1476 O ILE B 478 7.405 4.373 -7.635 1.00 0.00 O ATOM 1477 CB ILE B 478 6.174 4.004 -4.729 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.175 4.383 -3.641 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.443 4.839 -4.589 1.00 0.00 C ATOM 1480 CD1 ILE B 478 5.680 4.072 -2.258 1.00 0.00 C ATOM 0 H ILE B 478 3.938 3.117 -5.322 1.00 0.00 H new ATOM 0 HA ILE B 478 5.357 5.234 -6.329 1.00 0.00 H new ATOM 0 HB ILE B 478 6.436 2.953 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE B 478 4.953 5.448 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.239 3.850 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE B 478 7.864 4.697 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.169 4.525 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.203 5.892 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE B 478 4.929 4.362 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE B 478 5.876 3.003 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE B 478 6.601 4.625 -2.074 1.00 0.00 H new ATOM 1492 N LYS B 479 6.411 2.366 -7.460 1.00 0.00 N ATOM 1493 CA LYS B 479 7.463 1.669 -8.174 1.00 0.00 C ATOM 1494 C LYS B 479 7.426 1.925 -9.679 1.00 0.00 C ATOM 1495 O LYS B 479 8.414 1.668 -10.363 1.00 0.00 O ATOM 1496 CB LYS B 479 7.425 0.175 -7.861 1.00 0.00 C ATOM 1497 CG LYS B 479 8.806 -0.417 -7.604 1.00 0.00 C ATOM 1498 CD LYS B 479 8.725 -1.732 -6.840 1.00 0.00 C ATOM 1499 CE LYS B 479 8.332 -1.520 -5.381 1.00 0.00 C ATOM 1500 NZ LYS B 479 9.405 -0.855 -4.589 1.00 0.00 N ATOM 0 H LYS B 479 5.591 1.799 -7.242 1.00 0.00 H new ATOM 0 HA LYS B 479 8.412 2.073 -7.821 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.796 0.009 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS B 479 6.959 -0.353 -8.693 1.00 0.00 H new ATOM 0 HG2 LYS B 479 9.314 -0.580 -8.554 1.00 0.00 H new ATOM 0 HG3 LYS B 479 9.407 0.295 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS B 479 7.998 -2.387 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS B 479 9.689 -2.239 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS B 479 7.426 -0.916 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS B 479 8.096 -2.483 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 9.026 -0.567 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 10.194 -1.518 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 9.745 -0.016 -5.101 1.00 0.00 H new ATOM 1514 N LYS B 480 6.306 2.384 -10.226 1.00 0.00 N ATOM 1515 CA LYS B 480 6.345 2.895 -11.595 1.00 0.00 C ATOM 1516 C LYS B 480 5.912 4.354 -11.690 1.00 0.00 C ATOM 1517 O LYS B 480 6.174 5.017 -12.694 1.00 0.00 O ATOM 1518 CB LYS B 480 5.537 2.037 -12.573 1.00 0.00 C ATOM 1519 CG LYS B 480 4.040 2.020 -12.325 1.00 0.00 C ATOM 1520 CD LYS B 480 3.659 1.032 -11.243 1.00 0.00 C ATOM 1521 CE LYS B 480 4.073 -0.389 -11.602 1.00 0.00 C ATOM 1522 NZ LYS B 480 3.686 -0.759 -12.990 1.00 0.00 N ATOM 0 H LYS B 480 5.395 2.415 -9.768 1.00 0.00 H new ATOM 0 HA LYS B 480 7.393 2.836 -11.890 1.00 0.00 H new ATOM 0 HB2 LYS B 480 5.718 2.398 -13.585 1.00 0.00 H new ATOM 0 HB3 LYS B 480 5.909 1.014 -12.528 1.00 0.00 H new ATOM 0 HG2 LYS B 480 3.708 3.018 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS B 480 3.522 1.764 -13.249 1.00 0.00 H new ATOM 0 HD2 LYS B 480 4.131 1.322 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.581 1.067 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS B 480 5.153 -0.489 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS B 480 3.614 -1.086 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 3.785 -1.787 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 2.698 -0.483 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 4.304 -0.266 -13.666 1.00 0.00 H new ATOM 1536 N ASP B 481 5.243 4.859 -10.663 1.00 0.00 N ATOM 1537 CA ASP B 481 4.738 6.231 -10.705 1.00 0.00 C ATOM 1538 C ASP B 481 5.737 7.227 -10.134 1.00 0.00 C ATOM 1539 O ASP B 481 6.188 8.135 -10.829 1.00 0.00 O ATOM 1540 CB ASP B 481 3.404 6.356 -9.970 1.00 0.00 C ATOM 1541 CG ASP B 481 2.838 7.763 -10.050 1.00 0.00 C ATOM 1542 OD1 ASP B 481 3.035 8.544 -9.100 1.00 0.00 O ATOM 1543 OD2 ASP B 481 2.198 8.097 -11.071 1.00 0.00 O ATOM 0 H ASP B 481 5.038 4.352 -9.802 1.00 0.00 H new ATOM 0 HA ASP B 481 4.585 6.471 -11.757 1.00 0.00 H new ATOM 0 HB2 ASP B 481 2.688 5.653 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP B 481 3.539 6.079 -8.925 1.00 0.00 H new ATOM 1548 N PHE B 482 6.087 7.041 -8.867 1.00 0.00 N ATOM 1549 CA PHE B 482 6.875 8.027 -8.133 1.00 0.00 C ATOM 1550 C PHE B 482 8.359 7.932 -8.460 1.00 0.00 C ATOM 1551 O PHE B 482 8.845 8.571 -9.392 1.00 0.00 O ATOM 1552 CB PHE B 482 6.674 7.865 -6.623 1.00 0.00 C ATOM 1553 CG PHE B 482 5.347 8.357 -6.113 1.00 0.00 C ATOM 1554 CD1 PHE B 482 5.264 9.562 -5.435 1.00 0.00 C ATOM 1555 CD2 PHE B 482 4.191 7.617 -6.300 1.00 0.00 C ATOM 1556 CE1 PHE B 482 4.054 10.019 -4.953 1.00 0.00 C ATOM 1557 CE2 PHE B 482 2.977 8.071 -5.821 1.00 0.00 C ATOM 1558 CZ PHE B 482 2.909 9.273 -5.145 1.00 0.00 C ATOM 0 H PHE B 482 5.837 6.214 -8.324 1.00 0.00 H new ATOM 0 HA PHE B 482 6.521 9.009 -8.445 1.00 0.00 H new ATOM 0 HB2 PHE B 482 6.779 6.811 -6.366 1.00 0.00 H new ATOM 0 HB3 PHE B 482 7.469 8.400 -6.104 1.00 0.00 H new ATOM 0 HD1 PHE B 482 6.156 10.151 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE B 482 4.239 6.675 -6.826 1.00 0.00 H new ATOM 0 HE1 PHE B 482 4.003 10.960 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE B 482 2.082 7.486 -5.975 1.00 0.00 H new ATOM 0 HZ PHE B 482 1.962 9.629 -4.767 1.00 0.00 H new ATOM 1568 N PHE B 483 9.075 7.125 -7.692 1.00 0.00 N ATOM 1569 CA PHE B 483 10.518 7.015 -7.847 1.00 0.00 C ATOM 1570 C PHE B 483 10.862 5.831 -8.730 1.00 0.00 C ATOM 1571 O PHE B 483 11.814 5.863 -9.509 1.00 0.00 O ATOM 1572 CB PHE B 483 11.198 6.852 -6.486 1.00 0.00 C ATOM 1573 CG PHE B 483 10.865 7.935 -5.501 1.00 0.00 C ATOM 1574 CD1 PHE B 483 9.833 7.766 -4.591 1.00 0.00 C ATOM 1575 CD2 PHE B 483 11.586 9.117 -5.480 1.00 0.00 C ATOM 1576 CE1 PHE B 483 9.527 8.755 -3.679 1.00 0.00 C ATOM 1577 CE2 PHE B 483 11.284 10.111 -4.568 1.00 0.00 C ATOM 1578 CZ PHE B 483 10.252 9.929 -3.668 1.00 0.00 C ATOM 0 H PHE B 483 8.682 6.538 -6.957 1.00 0.00 H new ATOM 0 HA PHE B 483 10.879 7.931 -8.314 1.00 0.00 H new ATOM 0 HB2 PHE B 483 10.912 5.889 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE B 483 12.278 6.828 -6.632 1.00 0.00 H new ATOM 0 HD1 PHE B 483 9.262 6.849 -4.596 1.00 0.00 H new ATOM 0 HD2 PHE B 483 12.392 9.264 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE B 483 8.721 8.611 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE B 483 11.854 11.028 -4.559 1.00 0.00 H new ATOM 0 HZ PHE B 483 10.013 10.705 -2.956 1.00 0.00 H new ATOM 1588 N GLY B 484 10.062 4.785 -8.599 1.00 0.00 N ATOM 1589 CA GLY B 484 10.272 3.581 -9.366 1.00 0.00 C ATOM 1590 C GLY B 484 11.379 2.726 -8.801 1.00 0.00 C ATOM 1591 O GLY B 484 11.845 1.791 -9.450 1.00 0.00 O ATOM 0 H GLY B 484 9.262 4.751 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY B 484 9.348 3.004 -9.392 1.00 0.00 H new ATOM 0 HA3 GLY B 484 10.511 3.846 -10.396 1.00 0.00 H new ATOM 1595 N LEU B 485 11.788 3.046 -7.584 1.00 0.00 N ATOM 1596 CA LEU B 485 12.886 2.358 -6.933 1.00 0.00 C ATOM 1597 C LEU B 485 12.389 1.160 -6.137 1.00 0.00 C ATOM 1598 O LEU B 485 11.201 1.057 -5.817 1.00 0.00 O ATOM 1599 CB LEU B 485 13.616 3.326 -6.007 1.00 0.00 C ATOM 1600 CG LEU B 485 14.113 4.604 -6.681 1.00 0.00 C ATOM 1601 CD1 LEU B 485 14.661 5.573 -5.650 1.00 0.00 C ATOM 1602 CD2 LEU B 485 15.171 4.278 -7.721 1.00 0.00 C ATOM 0 H LEU B 485 11.369 3.788 -7.023 1.00 0.00 H new ATOM 0 HA LEU B 485 13.569 1.995 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU B 485 12.948 3.599 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU B 485 14.468 2.810 -5.564 1.00 0.00 H new ATOM 0 HG LEU B 485 13.270 5.079 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU B 485 15.010 6.477 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU B 485 13.876 5.831 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU B 485 15.492 5.108 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU B 485 15.514 5.199 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU B 485 16.013 3.781 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU B 485 14.746 3.620 -8.479 1.00 0.00 H new ATOM 1614 N ASP B 486 13.304 0.254 -5.837 1.00 0.00 N ATOM 1615 CA ASP B 486 12.993 -0.921 -5.030 1.00 0.00 C ATOM 1616 C ASP B 486 14.205 -1.329 -4.196 1.00 0.00 C ATOM 1617 O ASP B 486 14.126 -2.208 -3.338 1.00 0.00 O ATOM 1618 CB ASP B 486 12.557 -2.079 -5.933 1.00 0.00 C ATOM 1619 CG ASP B 486 12.056 -3.280 -5.155 1.00 0.00 C ATOM 1620 OD1 ASP B 486 12.729 -4.334 -5.175 1.00 0.00 O ATOM 1621 OD2 ASP B 486 10.979 -3.176 -4.527 1.00 0.00 O ATOM 0 H ASP B 486 14.276 0.308 -6.141 1.00 0.00 H new ATOM 0 HA ASP B 486 12.174 -0.674 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP B 486 11.770 -1.733 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP B 486 13.398 -2.382 -6.557 1.00 0.00 H new ATOM 1626 N THR B 487 15.326 -0.660 -4.432 1.00 0.00 N ATOM 1627 CA THR B 487 16.569 -0.974 -3.743 1.00 0.00 C ATOM 1628 C THR B 487 16.636 -0.300 -2.376 1.00 0.00 C ATOM 1629 O THR B 487 17.574 0.442 -2.077 1.00 0.00 O ATOM 1630 CB THR B 487 17.786 -0.550 -4.584 1.00 0.00 C ATOM 1631 OG1 THR B 487 17.551 0.737 -5.170 1.00 0.00 O ATOM 1632 CG2 THR B 487 18.071 -1.567 -5.674 1.00 0.00 C ATOM 0 H THR B 487 15.399 0.108 -5.100 1.00 0.00 H new ATOM 0 HA THR B 487 16.591 -2.054 -3.600 1.00 0.00 H new ATOM 0 HB THR B 487 18.654 -0.496 -3.927 1.00 0.00 H new ATOM 0 HG1 THR B 487 18.330 1.001 -5.702 1.00 0.00 H new ATOM 0 HG21 THR B 487 18.935 -1.245 -6.255 1.00 0.00 H new ATOM 0 HG22 THR B 487 18.278 -2.537 -5.222 1.00 0.00 H new ATOM 0 HG23 THR B 487 17.204 -1.650 -6.329 1.00 0.00 H new ATOM 1640 N ASN B 488 15.634 -0.558 -1.551 1.00 0.00 N ATOM 1641 CA ASN B 488 15.593 -0.008 -0.208 1.00 0.00 C ATOM 1642 C ASN B 488 15.587 -1.127 0.820 1.00 0.00 C ATOM 1643 O ASN B 488 14.546 -1.494 1.361 1.00 0.00 O ATOM 1644 CB ASN B 488 14.371 0.892 -0.025 1.00 0.00 C ATOM 1645 CG ASN B 488 14.756 2.339 0.203 1.00 0.00 C ATOM 1646 OD1 ASN B 488 14.931 2.781 1.341 1.00 0.00 O ATOM 1647 ND2 ASN B 488 14.899 3.089 -0.877 1.00 0.00 N ATOM 0 H ASN B 488 14.836 -1.147 -1.790 1.00 0.00 H new ATOM 0 HA ASN B 488 16.486 0.599 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN B 488 13.735 0.822 -0.907 1.00 0.00 H new ATOM 0 HB3 ASN B 488 13.783 0.536 0.821 1.00 0.00 H new ATOM 0 HD21 ASN B 488 15.163 4.070 -0.785 1.00 0.00 H new ATOM 0 HD22 ASN B 488 14.745 2.686 -1.801 1.00 0.00 H new ATOM 1654 N SER B 489 16.756 -1.694 1.048 1.00 0.00 N ATOM 1655 CA SER B 489 16.927 -2.739 2.038 1.00 0.00 C ATOM 1656 C SER B 489 18.327 -2.647 2.631 1.00 0.00 C ATOM 1657 O SER B 489 19.053 -1.692 2.345 1.00 0.00 O ATOM 1658 CB SER B 489 16.696 -4.108 1.397 1.00 0.00 C ATOM 1659 OG SER B 489 15.435 -4.154 0.750 1.00 0.00 O ATOM 0 H SER B 489 17.612 -1.444 0.553 1.00 0.00 H new ATOM 0 HA SER B 489 16.198 -2.611 2.838 1.00 0.00 H new ATOM 0 HB2 SER B 489 17.487 -4.316 0.677 1.00 0.00 H new ATOM 0 HB3 SER B 489 16.747 -4.885 2.160 1.00 0.00 H new ATOM 0 HG SER B 489 15.307 -5.037 0.345 1.00 0.00 H new ATOM 1665 N ALA B 490 18.709 -3.617 3.448 1.00 0.00 N ATOM 1666 CA ALA B 490 20.025 -3.597 4.068 1.00 0.00 C ATOM 1667 C ALA B 490 21.114 -3.870 3.046 1.00 0.00 C ATOM 1668 O ALA B 490 22.031 -3.069 2.855 1.00 0.00 O ATOM 1669 CB ALA B 490 20.097 -4.600 5.209 1.00 0.00 C ATOM 0 H ALA B 490 18.132 -4.421 3.696 1.00 0.00 H new ATOM 0 HA ALA B 490 20.189 -2.600 4.476 1.00 0.00 H new ATOM 0 HB1 ALA B 490 21.089 -4.569 5.659 1.00 0.00 H new ATOM 0 HB2 ALA B 490 19.349 -4.349 5.962 1.00 0.00 H new ATOM 0 HB3 ALA B 490 19.904 -5.602 4.825 1.00 0.00 H new ATOM 1675 N LYS B 491 20.981 -4.990 2.374 1.00 0.00 N ATOM 1676 CA LYS B 491 21.980 -5.440 1.416 1.00 0.00 C ATOM 1677 C LYS B 491 21.374 -5.632 0.028 1.00 0.00 C ATOM 1678 O LYS B 491 21.589 -6.659 -0.618 1.00 0.00 O ATOM 1679 CB LYS B 491 22.615 -6.750 1.894 1.00 0.00 C ATOM 1680 CG LYS B 491 23.389 -6.625 3.202 1.00 0.00 C ATOM 1681 CD LYS B 491 24.550 -5.643 3.087 1.00 0.00 C ATOM 1682 CE LYS B 491 25.544 -6.069 2.018 1.00 0.00 C ATOM 1683 NZ LYS B 491 26.703 -5.141 1.931 1.00 0.00 N ATOM 0 H LYS B 491 20.182 -5.617 2.471 1.00 0.00 H new ATOM 0 HA LYS B 491 22.748 -4.669 1.346 1.00 0.00 H new ATOM 0 HB2 LYS B 491 21.831 -7.497 2.018 1.00 0.00 H new ATOM 0 HB3 LYS B 491 23.288 -7.119 1.120 1.00 0.00 H new ATOM 0 HG2 LYS B 491 22.714 -6.297 3.993 1.00 0.00 H new ATOM 0 HG3 LYS B 491 23.770 -7.604 3.493 1.00 0.00 H new ATOM 0 HD2 LYS B 491 24.165 -4.651 2.851 1.00 0.00 H new ATOM 0 HD3 LYS B 491 25.059 -5.567 4.048 1.00 0.00 H new ATOM 0 HE2 LYS B 491 25.901 -7.075 2.236 1.00 0.00 H new ATOM 0 HE3 LYS B 491 25.041 -6.112 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 491 27.355 -5.469 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 491 26.366 -4.185 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 491 27.200 -5.119 2.845 1.00 0.00 H new ATOM 1697 N SER B 492 20.621 -4.645 -0.427 1.00 0.00 N ATOM 1698 CA SER B 492 20.019 -4.693 -1.750 1.00 0.00 C ATOM 1699 C SER B 492 20.994 -4.168 -2.803 1.00 0.00 C ATOM 1700 O SER B 492 21.373 -2.995 -2.780 1.00 0.00 O ATOM 1701 CB SER B 492 18.725 -3.878 -1.762 1.00 0.00 C ATOM 1702 OG SER B 492 18.896 -2.639 -1.085 1.00 0.00 O ATOM 0 H SER B 492 20.411 -3.798 0.101 1.00 0.00 H new ATOM 0 HA SER B 492 19.784 -5.729 -1.992 1.00 0.00 H new ATOM 0 HB2 SER B 492 18.416 -3.694 -2.791 1.00 0.00 H new ATOM 0 HB3 SER B 492 17.927 -4.449 -1.287 1.00 0.00 H new ATOM 0 HG SER B 492 19.754 -2.241 -1.342 1.00 0.00 H new ATOM 1708 N LYS B 493 21.406 -5.035 -3.718 1.00 0.00 N ATOM 1709 CA LYS B 493 22.378 -4.662 -4.733 1.00 0.00 C ATOM 1710 C LYS B 493 22.064 -5.334 -6.068 1.00 0.00 C ATOM 1711 O LYS B 493 21.803 -6.536 -6.119 1.00 0.00 O ATOM 1712 CB LYS B 493 23.791 -5.026 -4.265 1.00 0.00 C ATOM 1713 CG LYS B 493 23.983 -6.506 -3.970 1.00 0.00 C ATOM 1714 CD LYS B 493 25.334 -6.777 -3.329 1.00 0.00 C ATOM 1715 CE LYS B 493 25.585 -8.266 -3.159 1.00 0.00 C ATOM 1716 NZ LYS B 493 25.745 -8.956 -4.467 1.00 0.00 N ATOM 0 H LYS B 493 21.082 -6.000 -3.777 1.00 0.00 H new ATOM 0 HA LYS B 493 22.323 -3.584 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS B 493 24.505 -4.723 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS B 493 24.024 -4.454 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS B 493 23.189 -6.852 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS B 493 23.897 -7.076 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS B 493 26.122 -6.343 -3.944 1.00 0.00 H new ATOM 0 HD3 LYS B 493 25.381 -6.286 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS B 493 26.482 -8.416 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS B 493 24.755 -8.714 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 493 26.144 -9.904 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 493 24.818 -9.042 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 493 26.385 -8.405 -5.074 1.00 0.00 H new ATOM 1730 N ASP B 494 22.077 -4.536 -7.133 1.00 0.00 N ATOM 1731 CA ASP B 494 21.832 -5.013 -8.499 1.00 0.00 C ATOM 1732 C ASP B 494 20.478 -5.706 -8.622 1.00 0.00 C ATOM 1733 O ASP B 494 20.375 -6.931 -8.528 1.00 0.00 O ATOM 1734 CB ASP B 494 22.947 -5.955 -8.966 1.00 0.00 C ATOM 1735 CG ASP B 494 22.819 -6.317 -10.434 1.00 0.00 C ATOM 1736 OD1 ASP B 494 22.249 -7.385 -10.748 1.00 0.00 O ATOM 1737 OD2 ASP B 494 23.297 -5.537 -11.283 1.00 0.00 O ATOM 0 H ASP B 494 22.258 -3.534 -7.076 1.00 0.00 H new ATOM 0 HA ASP B 494 21.823 -4.134 -9.144 1.00 0.00 H new ATOM 0 HB2 ASP B 494 23.914 -5.483 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP B 494 22.925 -6.865 -8.367 1.00 0.00 H new ATOM 1742 N VAL B 495 19.442 -4.911 -8.824 1.00 0.00 N ATOM 1743 CA VAL B 495 18.098 -5.431 -9.015 1.00 0.00 C ATOM 1744 C VAL B 495 17.205 -4.366 -9.642 1.00 0.00 C ATOM 1745 O VAL B 495 16.684 -4.606 -10.749 1.00 0.00 O ATOM 1746 CB VAL B 495 17.479 -5.960 -7.693 1.00 0.00 C ATOM 1747 CG1 VAL B 495 17.515 -4.907 -6.595 1.00 0.00 C ATOM 1748 CG2 VAL B 495 16.055 -6.447 -7.925 1.00 0.00 C ATOM 1749 OXT VAL B 495 17.068 -3.272 -9.058 1.00 0.00 O ATOM 0 H VAL B 495 19.507 -3.894 -8.860 1.00 0.00 H new ATOM 0 HA VAL B 495 18.169 -6.281 -9.694 1.00 0.00 H new ATOM 0 HB VAL B 495 18.085 -6.802 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL B 495 17.073 -5.314 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL B 495 18.548 -4.620 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL B 495 16.949 -4.031 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL B 495 15.639 -6.814 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL B 495 15.445 -5.623 -8.296 1.00 0.00 H new ATOM 0 HG23 VAL B 495 16.061 -7.253 -8.659 1.00 0.00 H new TER 1759 VAL B 495