USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 968 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.12) USER MOD Single : A 2 LYS NZ :NH3+ -179:sc= 0.832 (180deg=0.811) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 14 THR OG1 : rot 142:sc= -0.495 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -61:sc= 0.597 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.57) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.55) USER MOD Single : A 71 SER OG : rot 46:sc= 0.0111 USER MOD Single : A 74 SER OG : rot 117:sc= -0.291 USER MOD Single : A 80 THR OG1 : rot -60:sc= -2.86! USER MOD Single : A 82 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.53) USER MOD Single : A 84 SER OG : rot 39:sc= 0.494 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -160:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-1.9!) USER MOD Single : A 120 TYR OH : rot 61:sc= 0.0458 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.537 2.438 17.374 1.00 0.00 N ATOM 2 CA MET A 1 -1.069 3.223 16.229 1.00 0.00 C ATOM 3 C MET A 1 -0.528 2.699 14.902 1.00 0.00 C ATOM 4 O MET A 1 0.327 3.327 14.277 1.00 0.00 O ATOM 5 CB MET A 1 -0.675 4.690 16.418 1.00 0.00 C ATOM 6 CG MET A 1 -1.443 5.387 17.530 1.00 0.00 C ATOM 7 SD MET A 1 -3.192 5.592 17.143 1.00 0.00 S ATOM 8 CE MET A 1 -3.650 6.869 18.312 1.00 0.00 C ATOM 0 H1 MET A 1 -1.069 2.676 18.235 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.638 1.422 17.175 1.00 0.00 H new ATOM 0 H3 MET A 1 0.468 2.665 17.514 1.00 0.00 H new ATOM 0 HA MET A 1 -2.154 3.126 16.202 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.392 4.746 16.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.840 5.225 15.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.344 4.812 18.451 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.999 6.365 17.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.707 7.106 18.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.467 6.516 19.327 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.055 7.763 18.126 1.00 0.00 H new ATOM 20 N LYS A 2 -1.031 1.545 14.478 1.00 0.00 N ATOM 21 CA LYS A 2 -0.597 0.935 13.226 1.00 0.00 C ATOM 22 C LYS A 2 -1.785 0.365 12.457 1.00 0.00 C ATOM 23 O LYS A 2 -2.697 -0.216 13.045 1.00 0.00 O ATOM 24 CB LYS A 2 0.427 -0.166 13.502 1.00 0.00 C ATOM 25 CG LYS A 2 1.593 0.286 14.364 1.00 0.00 C ATOM 26 CD LYS A 2 2.641 1.021 13.543 1.00 0.00 C ATOM 27 CE LYS A 2 3.274 2.158 14.330 1.00 0.00 C ATOM 28 NZ LYS A 2 2.941 3.488 13.748 1.00 0.00 N ATOM 0 H LYS A 2 -1.740 1.013 14.983 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.132 1.708 12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.074 -1.001 13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.812 -0.538 12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.229 0.938 15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.048 -0.580 14.846 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.415 0.320 13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.182 1.416 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.932 2.118 15.364 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.356 2.030 14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.405 4.236 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.274 3.530 12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.911 3.629 13.771 1.00 0.00 H new ATOM 42 N ARG A 3 -1.767 0.540 11.139 1.00 0.00 N ATOM 43 CA ARG A 3 -2.842 0.048 10.286 1.00 0.00 C ATOM 44 C ARG A 3 -2.514 0.284 8.813 1.00 0.00 C ATOM 45 O ARG A 3 -2.788 1.350 8.267 1.00 0.00 O ATOM 46 CB ARG A 3 -4.154 0.728 10.664 1.00 0.00 C ATOM 47 CG ARG A 3 -4.060 2.231 10.707 1.00 0.00 C ATOM 48 CD ARG A 3 -3.662 2.729 12.087 1.00 0.00 C ATOM 49 NE ARG A 3 -4.467 3.874 12.509 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.689 3.771 13.028 1.00 0.00 C ATOM 51 NH1 ARG A 3 -6.253 2.579 13.186 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.350 4.862 13.389 1.00 0.00 N ATOM 0 H ARG A 3 -1.019 1.020 10.639 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.947 -1.026 10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.923 0.440 9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.475 0.364 11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.330 2.571 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.020 2.664 10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.774 1.921 12.810 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.609 3.009 12.082 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.069 4.807 12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.750 1.736 12.909 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.189 2.507 13.584 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.923 5.780 13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.286 4.783 13.787 1.00 0.00 H new ATOM 66 N VAL A 4 -1.914 -0.720 8.179 1.00 0.00 N ATOM 67 CA VAL A 4 -1.529 -0.622 6.774 1.00 0.00 C ATOM 68 C VAL A 4 -2.729 -0.799 5.848 1.00 0.00 C ATOM 69 O VAL A 4 -3.759 -1.337 6.245 1.00 0.00 O ATOM 70 CB VAL A 4 -0.455 -1.673 6.420 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.106 -1.420 5.028 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.661 -1.674 7.458 1.00 0.00 C ATOM 0 H VAL A 4 -1.684 -1.612 8.617 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.119 0.377 6.628 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.926 -2.656 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.861 -2.172 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.699 -1.478 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.558 -0.429 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.407 -2.422 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.129 -0.690 7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.246 -1.911 8.438 1.00 0.00 H new ATOM 82 N LEU A 5 -2.586 -0.341 4.607 1.00 0.00 N ATOM 83 CA LEU A 5 -3.655 -0.450 3.620 1.00 0.00 C ATOM 84 C LEU A 5 -3.218 -1.328 2.451 1.00 0.00 C ATOM 85 O LEU A 5 -2.104 -1.193 1.946 1.00 0.00 O ATOM 86 CB LEU A 5 -4.053 0.939 3.112 1.00 0.00 C ATOM 87 CG LEU A 5 -5.200 0.954 2.100 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.475 0.406 2.727 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.426 2.364 1.573 1.00 0.00 C ATOM 0 H LEU A 5 -1.739 0.110 4.261 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.518 -0.912 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.334 1.555 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.180 1.406 2.656 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.928 0.312 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.279 0.425 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.307 -0.620 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.752 1.020 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.245 2.357 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.676 3.026 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.519 2.720 1.085 1.00 0.00 H new ATOM 101 N VAL A 6 -4.097 -2.233 2.027 1.00 0.00 N ATOM 102 CA VAL A 6 -3.786 -3.133 0.920 1.00 0.00 C ATOM 103 C VAL A 6 -4.707 -2.900 -0.273 1.00 0.00 C ATOM 104 O VAL A 6 -5.766 -3.517 -0.381 1.00 0.00 O ATOM 105 CB VAL A 6 -3.897 -4.610 1.342 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.323 -5.518 0.264 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.202 -4.842 2.673 1.00 0.00 C ATOM 0 H VAL A 6 -5.025 -2.362 2.431 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.758 -2.913 0.631 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.952 -4.854 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.410 -6.558 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.874 -5.373 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.273 -5.274 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.292 -5.892 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.148 -4.580 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.667 -4.221 3.439 1.00 0.00 H new ATOM 117 N VAL A 7 -4.291 -2.021 -1.175 1.00 0.00 N ATOM 118 CA VAL A 7 -5.076 -1.726 -2.367 1.00 0.00 C ATOM 119 C VAL A 7 -4.703 -2.680 -3.497 1.00 0.00 C ATOM 120 O VAL A 7 -3.543 -2.750 -3.900 1.00 0.00 O ATOM 121 CB VAL A 7 -4.863 -0.276 -2.842 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.865 0.083 -3.928 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.964 0.691 -1.671 1.00 0.00 C ATOM 0 H VAL A 7 -3.417 -1.501 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.126 -1.855 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.861 -0.195 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.699 1.111 -4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.738 -0.589 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.877 -0.015 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.811 1.710 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.951 0.610 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.202 0.447 -0.931 1.00 0.00 H new ATOM 133 N ASP A 8 -5.685 -3.423 -3.998 1.00 0.00 N ATOM 134 CA ASP A 8 -5.439 -4.376 -5.073 1.00 0.00 C ATOM 135 C ASP A 8 -6.725 -4.679 -5.835 1.00 0.00 C ATOM 136 O ASP A 8 -7.797 -4.793 -5.243 1.00 0.00 O ATOM 137 CB ASP A 8 -4.839 -5.668 -4.500 1.00 0.00 C ATOM 138 CG ASP A 8 -4.758 -6.785 -5.524 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.543 -6.483 -6.717 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.908 -7.961 -5.132 1.00 0.00 O ATOM 0 H ASP A 8 -6.653 -3.384 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.729 -3.934 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.840 -5.460 -4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.442 -5.999 -3.655 1.00 0.00 H new ATOM 145 N ASP A 9 -6.609 -4.810 -7.153 1.00 0.00 N ATOM 146 CA ASP A 9 -7.764 -5.099 -7.996 1.00 0.00 C ATOM 147 C ASP A 9 -7.970 -6.605 -8.142 1.00 0.00 C ATOM 148 O ASP A 9 -8.143 -7.115 -9.249 1.00 0.00 O ATOM 149 CB ASP A 9 -7.588 -4.452 -9.373 1.00 0.00 C ATOM 150 CG ASP A 9 -8.792 -4.665 -10.271 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.860 -4.088 -9.979 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.666 -5.411 -11.266 1.00 0.00 O ATOM 0 H ASP A 9 -5.728 -4.721 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.649 -4.680 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.415 -3.383 -9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.702 -4.865 -9.855 1.00 0.00 H new ATOM 157 N GLU A 10 -7.953 -7.311 -7.015 1.00 0.00 N ATOM 158 CA GLU A 10 -8.139 -8.757 -7.014 1.00 0.00 C ATOM 159 C GLU A 10 -8.155 -9.300 -5.589 1.00 0.00 C ATOM 160 O GLU A 10 -7.738 -8.623 -4.650 1.00 0.00 O ATOM 161 CB GLU A 10 -7.030 -9.439 -7.818 1.00 0.00 C ATOM 162 CG GLU A 10 -7.273 -10.919 -8.058 1.00 0.00 C ATOM 163 CD GLU A 10 -8.621 -11.193 -8.695 1.00 0.00 C ATOM 164 OE1 GLU A 10 -9.627 -11.244 -7.957 1.00 0.00 O ATOM 165 OE2 GLU A 10 -8.670 -11.355 -9.932 1.00 0.00 O ATOM 0 H GLU A 10 -7.812 -6.904 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.100 -8.974 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.928 -8.936 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.083 -9.316 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.485 -11.313 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.208 -11.452 -7.110 1.00 0.00 H new ATOM 172 N GLU A 11 -8.641 -10.528 -5.433 1.00 0.00 N ATOM 173 CA GLU A 11 -8.711 -11.161 -4.122 1.00 0.00 C ATOM 174 C GLU A 11 -7.664 -12.263 -3.992 1.00 0.00 C ATOM 175 O GLU A 11 -7.948 -13.347 -3.483 1.00 0.00 O ATOM 176 CB GLU A 11 -10.108 -11.738 -3.886 1.00 0.00 C ATOM 177 CG GLU A 11 -11.100 -10.725 -3.336 1.00 0.00 C ATOM 178 CD GLU A 11 -11.625 -11.105 -1.965 1.00 0.00 C ATOM 179 OE1 GLU A 11 -12.023 -12.276 -1.785 1.00 0.00 O ATOM 180 OE2 GLU A 11 -11.638 -10.234 -1.071 1.00 0.00 O ATOM 0 H GLU A 11 -8.992 -11.104 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.507 -10.401 -3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.491 -12.136 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.034 -12.575 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.621 -9.748 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.937 -10.630 -4.028 1.00 0.00 H new ATOM 187 N SER A 12 -6.450 -11.979 -4.454 1.00 0.00 N ATOM 188 CA SER A 12 -5.363 -12.948 -4.386 1.00 0.00 C ATOM 189 C SER A 12 -4.517 -12.730 -3.132 1.00 0.00 C ATOM 190 O SER A 12 -4.752 -13.359 -2.101 1.00 0.00 O ATOM 191 CB SER A 12 -4.490 -12.859 -5.641 1.00 0.00 C ATOM 192 OG SER A 12 -4.593 -11.581 -6.245 1.00 0.00 O ATOM 0 H SER A 12 -6.195 -11.087 -4.879 1.00 0.00 H new ATOM 0 HA SER A 12 -5.799 -13.946 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.451 -13.058 -5.380 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.792 -13.627 -6.353 1.00 0.00 H new ATOM 0 HG SER A 12 -4.025 -11.550 -7.043 1.00 0.00 H new ATOM 198 N ILE A 13 -3.531 -11.840 -3.224 1.00 0.00 N ATOM 199 CA ILE A 13 -2.653 -11.548 -2.096 1.00 0.00 C ATOM 200 C ILE A 13 -3.452 -11.147 -0.859 1.00 0.00 C ATOM 201 O ILE A 13 -3.124 -11.545 0.258 1.00 0.00 O ATOM 202 CB ILE A 13 -1.657 -10.419 -2.439 1.00 0.00 C ATOM 203 CG1 ILE A 13 -0.851 -10.783 -3.688 1.00 0.00 C ATOM 204 CG2 ILE A 13 -0.728 -10.144 -1.262 1.00 0.00 C ATOM 205 CD1 ILE A 13 -0.097 -12.089 -3.561 1.00 0.00 C ATOM 0 H ILE A 13 -3.321 -11.309 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.100 -12.463 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.223 -9.510 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.526 -10.844 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.142 -9.982 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.034 -9.345 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.317 -9.842 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.167 -11.047 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.452 -12.284 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.603 -12.025 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.802 -12.900 -3.380 1.00 0.00 H new ATOM 217 N THR A 14 -4.498 -10.353 -1.066 1.00 0.00 N ATOM 218 CA THR A 14 -5.345 -9.889 0.031 1.00 0.00 C ATOM 219 C THR A 14 -5.681 -11.025 0.997 1.00 0.00 C ATOM 220 O THR A 14 -5.587 -10.865 2.213 1.00 0.00 O ATOM 221 CB THR A 14 -6.635 -9.280 -0.520 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.279 -10.183 -1.401 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.411 -7.985 -1.273 1.00 0.00 C ATOM 0 H THR A 14 -4.781 -10.016 -1.986 1.00 0.00 H new ATOM 0 HA THR A 14 -4.790 -9.129 0.581 1.00 0.00 H new ATOM 0 HB THR A 14 -7.253 -9.072 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.249 -10.127 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.366 -7.606 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.959 -7.250 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.746 -8.166 -2.118 1.00 0.00 H new ATOM 231 N SER A 15 -6.076 -12.167 0.448 1.00 0.00 N ATOM 232 CA SER A 15 -6.429 -13.325 1.262 1.00 0.00 C ATOM 233 C SER A 15 -5.207 -13.901 1.973 1.00 0.00 C ATOM 234 O SER A 15 -5.330 -14.527 3.025 1.00 0.00 O ATOM 235 CB SER A 15 -7.080 -14.404 0.392 1.00 0.00 C ATOM 236 OG SER A 15 -8.119 -15.066 1.091 1.00 0.00 O ATOM 0 H SER A 15 -6.160 -12.317 -0.557 1.00 0.00 H new ATOM 0 HA SER A 15 -7.138 -12.994 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.479 -13.951 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.327 -15.129 0.082 1.00 0.00 H new ATOM 0 HG SER A 15 -8.519 -15.749 0.513 1.00 0.00 H new ATOM 242 N SER A 16 -4.029 -13.691 1.394 1.00 0.00 N ATOM 243 CA SER A 16 -2.790 -14.198 1.979 1.00 0.00 C ATOM 244 C SER A 16 -2.130 -13.154 2.875 1.00 0.00 C ATOM 245 O SER A 16 -2.070 -13.317 4.094 1.00 0.00 O ATOM 246 CB SER A 16 -1.821 -14.623 0.873 1.00 0.00 C ATOM 247 OG SER A 16 -0.558 -14.977 1.410 1.00 0.00 O ATOM 0 H SER A 16 -3.905 -13.175 0.523 1.00 0.00 H new ATOM 0 HA SER A 16 -3.040 -15.063 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.237 -15.469 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.701 -13.809 0.158 1.00 0.00 H new ATOM 0 HG SER A 16 0.042 -15.246 0.684 1.00 0.00 H new ATOM 253 N LEU A 17 -1.634 -12.083 2.262 1.00 0.00 N ATOM 254 CA LEU A 17 -0.973 -11.007 2.993 1.00 0.00 C ATOM 255 C LEU A 17 -1.772 -10.596 4.226 1.00 0.00 C ATOM 256 O LEU A 17 -1.255 -10.621 5.342 1.00 0.00 O ATOM 257 CB LEU A 17 -0.768 -9.798 2.067 1.00 0.00 C ATOM 258 CG LEU A 17 -0.456 -8.466 2.762 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.736 -7.801 3.243 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.506 -8.676 3.921 1.00 0.00 C ATOM 0 H LEU A 17 -1.678 -11.937 1.253 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.004 -11.373 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.046 -10.026 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.668 -9.669 1.465 1.00 0.00 H new ATOM 0 HG LEU A 17 0.022 -7.807 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.494 -6.858 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.389 -7.610 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.244 -8.457 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.714 -7.719 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.059 -9.355 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.436 -9.105 3.549 1.00 0.00 H new ATOM 272 N SER A 18 -3.027 -10.209 4.020 1.00 0.00 N ATOM 273 CA SER A 18 -3.885 -9.782 5.124 1.00 0.00 C ATOM 274 C SER A 18 -3.702 -10.678 6.346 1.00 0.00 C ATOM 275 O SER A 18 -3.456 -10.195 7.448 1.00 0.00 O ATOM 276 CB SER A 18 -5.352 -9.777 4.693 1.00 0.00 C ATOM 277 OG SER A 18 -6.174 -9.188 5.686 1.00 0.00 O ATOM 0 H SER A 18 -3.473 -10.182 3.103 1.00 0.00 H new ATOM 0 HA SER A 18 -3.593 -8.768 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.457 -9.228 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.682 -10.798 4.503 1.00 0.00 H new ATOM 0 HG SER A 18 -6.112 -9.710 6.513 1.00 0.00 H new ATOM 283 N ALA A 19 -3.807 -11.987 6.142 1.00 0.00 N ATOM 284 CA ALA A 19 -3.635 -12.941 7.234 1.00 0.00 C ATOM 285 C ALA A 19 -2.288 -12.737 7.918 1.00 0.00 C ATOM 286 O ALA A 19 -2.173 -12.840 9.140 1.00 0.00 O ATOM 287 CB ALA A 19 -3.751 -14.364 6.711 1.00 0.00 C ATOM 0 H ALA A 19 -4.009 -12.411 5.236 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.422 -12.771 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.621 -15.066 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.734 -14.508 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.981 -14.539 5.960 1.00 0.00 H new ATOM 293 N ILE A 20 -1.274 -12.444 7.113 1.00 0.00 N ATOM 294 CA ILE A 20 0.077 -12.216 7.614 1.00 0.00 C ATOM 295 C ILE A 20 0.161 -10.919 8.412 1.00 0.00 C ATOM 296 O ILE A 20 0.306 -10.934 9.634 1.00 0.00 O ATOM 297 CB ILE A 20 1.093 -12.145 6.456 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.184 -13.485 5.738 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.458 -11.712 6.967 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.234 -13.351 4.232 1.00 0.00 C ATOM 0 H ILE A 20 -1.363 -12.358 6.101 1.00 0.00 H new ATOM 0 HA ILE A 20 0.318 -13.058 8.263 1.00 0.00 H new ATOM 0 HB ILE A 20 0.746 -11.400 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.074 -14.013 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.325 -14.097 6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.161 -11.668 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.379 -10.727 7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.815 -12.430 7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.298 -14.341 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.332 -12.850 3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.108 -12.765 3.948 1.00 0.00 H new ATOM 312 N LEU A 21 0.067 -9.800 7.704 1.00 0.00 N ATOM 313 CA LEU A 21 0.126 -8.484 8.322 1.00 0.00 C ATOM 314 C LEU A 21 -0.852 -8.399 9.498 1.00 0.00 C ATOM 315 O LEU A 21 -0.659 -7.605 10.419 1.00 0.00 O ATOM 316 CB LEU A 21 -0.113 -7.417 7.238 1.00 0.00 C ATOM 317 CG LEU A 21 -1.421 -6.680 7.295 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.550 -7.676 7.164 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.485 -5.878 8.581 1.00 0.00 C ATOM 0 H LEU A 21 -0.052 -9.780 6.691 1.00 0.00 H new ATOM 0 HA LEU A 21 1.112 -8.300 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.693 -6.685 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.036 -7.899 6.263 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.514 -5.972 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.505 -7.151 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.464 -8.200 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.497 -8.396 7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.432 -5.341 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.407 -6.552 9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.662 -5.164 8.606 1.00 0.00 H new ATOM 331 N GLU A 22 -1.886 -9.242 9.480 1.00 0.00 N ATOM 332 CA GLU A 22 -2.864 -9.267 10.562 1.00 0.00 C ATOM 333 C GLU A 22 -2.312 -10.025 11.765 1.00 0.00 C ATOM 334 O GLU A 22 -2.660 -9.729 12.908 1.00 0.00 O ATOM 335 CB GLU A 22 -4.169 -9.913 10.105 1.00 0.00 C ATOM 336 CG GLU A 22 -5.111 -8.955 9.392 1.00 0.00 C ATOM 337 CD GLU A 22 -6.471 -9.567 9.122 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.930 -10.383 9.949 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.078 -9.229 8.084 1.00 0.00 O ATOM 0 H GLU A 22 -2.065 -9.912 8.732 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.066 -8.236 10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.938 -10.744 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.680 -10.332 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.235 -8.056 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.662 -8.645 8.448 1.00 0.00 H new ATOM 346 N GLU A 23 -1.443 -10.999 11.501 1.00 0.00 N ATOM 347 CA GLU A 23 -0.839 -11.787 12.559 1.00 0.00 C ATOM 348 C GLU A 23 0.244 -10.976 13.256 1.00 0.00 C ATOM 349 O GLU A 23 0.406 -11.048 14.473 1.00 0.00 O ATOM 350 CB GLU A 23 -0.258 -13.081 11.980 1.00 0.00 C ATOM 351 CG GLU A 23 0.665 -13.819 12.933 1.00 0.00 C ATOM 352 CD GLU A 23 0.329 -15.293 13.051 1.00 0.00 C ATOM 353 OE1 GLU A 23 -0.726 -15.615 13.637 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.120 -16.125 12.559 1.00 0.00 O ATOM 0 H GLU A 23 -1.145 -11.257 10.560 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.601 -12.049 13.293 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.078 -13.742 11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.290 -12.846 11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.694 -13.712 12.591 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.607 -13.357 13.919 1.00 0.00 H new ATOM 361 N GLU A 24 0.979 -10.197 12.468 1.00 0.00 N ATOM 362 CA GLU A 24 2.044 -9.361 13.004 1.00 0.00 C ATOM 363 C GLU A 24 1.504 -8.372 14.036 1.00 0.00 C ATOM 364 O GLU A 24 2.261 -7.823 14.836 1.00 0.00 O ATOM 365 CB GLU A 24 2.740 -8.603 11.877 1.00 0.00 C ATOM 366 CG GLU A 24 3.709 -9.458 11.079 1.00 0.00 C ATOM 367 CD GLU A 24 4.944 -9.838 11.874 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.935 -9.655 13.110 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.920 -10.318 11.261 1.00 0.00 O ATOM 0 H GLU A 24 0.856 -10.128 11.458 1.00 0.00 H new ATOM 0 HA GLU A 24 2.764 -10.014 13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.986 -8.198 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.279 -7.755 12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.201 -10.364 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.011 -8.917 10.182 1.00 0.00 H new ATOM 376 N GLY A 25 0.193 -8.140 14.008 1.00 0.00 N ATOM 377 CA GLY A 25 -0.417 -7.212 14.937 1.00 0.00 C ATOM 378 C GLY A 25 -0.612 -5.845 14.318 1.00 0.00 C ATOM 379 O GLY A 25 0.115 -4.902 14.632 1.00 0.00 O ATOM 0 H GLY A 25 -0.456 -8.581 13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.380 -7.604 15.263 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.208 -7.123 15.825 1.00 0.00 H new ATOM 383 N TYR A 26 -1.587 -5.740 13.421 1.00 0.00 N ATOM 384 CA TYR A 26 -1.863 -4.483 12.737 1.00 0.00 C ATOM 385 C TYR A 26 -3.348 -4.322 12.434 1.00 0.00 C ATOM 386 O TYR A 26 -4.164 -5.193 12.738 1.00 0.00 O ATOM 387 CB TYR A 26 -1.099 -4.432 11.413 1.00 0.00 C ATOM 388 CG TYR A 26 0.393 -4.241 11.545 1.00 0.00 C ATOM 389 CD1 TYR A 26 0.917 -3.187 12.277 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.280 -5.110 10.919 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.281 -3.001 12.385 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.644 -4.933 11.023 1.00 0.00 C ATOM 393 CZ TYR A 26 3.141 -3.877 11.756 1.00 0.00 C ATOM 394 OH TYR A 26 4.501 -3.695 11.861 1.00 0.00 O ATOM 0 H TYR A 26 -2.199 -6.510 13.151 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.545 -3.678 13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.285 -5.357 10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.502 -3.619 10.809 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.247 -2.499 12.771 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.894 -5.937 10.342 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.672 -2.174 12.959 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.319 -5.619 10.532 1.00 0.00 H new ATOM 0 HH TYR A 26 4.965 -4.399 11.361 1.00 0.00 H new ATOM 404 N HIS A 27 -3.671 -3.208 11.789 1.00 0.00 N ATOM 405 CA HIS A 27 -5.031 -2.903 11.373 1.00 0.00 C ATOM 406 C HIS A 27 -5.033 -2.718 9.862 1.00 0.00 C ATOM 407 O HIS A 27 -4.944 -1.598 9.362 1.00 0.00 O ATOM 408 CB HIS A 27 -5.535 -1.635 12.063 1.00 0.00 C ATOM 409 CG HIS A 27 -6.685 -1.875 12.992 1.00 0.00 C ATOM 410 ND1 HIS A 27 -6.919 -3.089 13.600 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.667 -1.047 13.418 1.00 0.00 C ATOM 412 CE1 HIS A 27 -7.996 -2.998 14.360 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.469 -1.770 14.268 1.00 0.00 N ATOM 0 H HIS A 27 -2.993 -2.488 11.539 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.696 -3.719 11.654 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.715 -1.185 12.622 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.837 -0.913 11.304 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.796 -0.011 13.141 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.418 -3.794 14.956 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.295 -1.415 14.749 1.00 0.00 H new ATOM 422 N PRO A 28 -5.085 -3.825 9.113 1.00 0.00 N ATOM 423 CA PRO A 28 -5.043 -3.793 7.662 1.00 0.00 C ATOM 424 C PRO A 28 -6.412 -3.685 7.004 1.00 0.00 C ATOM 425 O PRO A 28 -7.365 -4.355 7.399 1.00 0.00 O ATOM 426 CB PRO A 28 -4.388 -5.126 7.308 1.00 0.00 C ATOM 427 CG PRO A 28 -4.624 -6.033 8.477 1.00 0.00 C ATOM 428 CD PRO A 28 -5.149 -5.198 9.621 1.00 0.00 C ATOM 0 HA PRO A 28 -4.510 -2.912 7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.821 -5.543 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.321 -4.998 7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.339 -6.813 8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.699 -6.533 8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.168 -5.479 9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.541 -5.321 10.517 1.00 0.00 H new ATOM 436 N ASP A 29 -6.479 -2.849 5.977 1.00 0.00 N ATOM 437 CA ASP A 29 -7.700 -2.648 5.216 1.00 0.00 C ATOM 438 C ASP A 29 -7.411 -2.879 3.739 1.00 0.00 C ATOM 439 O ASP A 29 -6.501 -2.270 3.178 1.00 0.00 O ATOM 440 CB ASP A 29 -8.249 -1.240 5.437 1.00 0.00 C ATOM 441 CG ASP A 29 -9.598 -1.032 4.776 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.629 -0.814 3.547 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.623 -1.088 5.487 1.00 0.00 O ATOM 0 H ASP A 29 -5.689 -2.293 5.650 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.454 -3.358 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.340 -1.053 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.540 -0.511 5.045 1.00 0.00 H new ATOM 448 N THR A 30 -8.166 -3.772 3.114 1.00 0.00 N ATOM 449 CA THR A 30 -7.951 -4.083 1.708 1.00 0.00 C ATOM 450 C THR A 30 -8.903 -3.304 0.808 1.00 0.00 C ATOM 451 O THR A 30 -10.100 -3.208 1.081 1.00 0.00 O ATOM 452 CB THR A 30 -8.118 -5.582 1.463 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.457 -5.982 1.695 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.225 -6.435 2.339 1.00 0.00 C ATOM 0 H THR A 30 -8.927 -4.290 3.554 1.00 0.00 H new ATOM 0 HA THR A 30 -6.932 -3.787 1.460 1.00 0.00 H new ATOM 0 HB THR A 30 -7.834 -5.738 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.544 -6.944 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.394 -7.488 2.114 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.181 -6.186 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.456 -6.246 3.387 1.00 0.00 H new ATOM 462 N ALA A 31 -8.360 -2.763 -0.277 1.00 0.00 N ATOM 463 CA ALA A 31 -9.152 -2.005 -1.238 1.00 0.00 C ATOM 464 C ALA A 31 -9.318 -2.798 -2.528 1.00 0.00 C ATOM 465 O ALA A 31 -8.798 -3.906 -2.655 1.00 0.00 O ATOM 466 CB ALA A 31 -8.500 -0.658 -1.516 1.00 0.00 C ATOM 0 H ALA A 31 -7.370 -2.836 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.140 -1.827 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.103 -0.104 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.428 -0.090 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.501 -0.814 -1.924 1.00 0.00 H new ATOM 472 N LYS A 32 -10.049 -2.234 -3.484 1.00 0.00 N ATOM 473 CA LYS A 32 -10.277 -2.911 -4.758 1.00 0.00 C ATOM 474 C LYS A 32 -9.805 -2.065 -5.940 1.00 0.00 C ATOM 475 O LYS A 32 -9.763 -2.540 -7.073 1.00 0.00 O ATOM 476 CB LYS A 32 -11.761 -3.252 -4.934 1.00 0.00 C ATOM 477 CG LYS A 32 -12.531 -3.347 -3.627 1.00 0.00 C ATOM 478 CD LYS A 32 -14.032 -3.308 -3.858 1.00 0.00 C ATOM 479 CE LYS A 32 -14.778 -2.871 -2.607 1.00 0.00 C ATOM 480 NZ LYS A 32 -16.117 -3.515 -2.505 1.00 0.00 N ATOM 0 H LYS A 32 -10.491 -1.318 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.694 -3.832 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.226 -2.493 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.845 -4.201 -5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.265 -4.271 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.241 -2.525 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.258 -2.623 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.380 -4.295 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.187 -3.121 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.896 -1.787 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.593 -3.191 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.691 -3.256 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.004 -4.548 -2.472 1.00 0.00 H new ATOM 494 N THR A 33 -9.444 -0.815 -5.671 1.00 0.00 N ATOM 495 CA THR A 33 -8.971 0.086 -6.712 1.00 0.00 C ATOM 496 C THR A 33 -8.421 1.364 -6.092 1.00 0.00 C ATOM 497 O THR A 33 -8.281 1.460 -4.873 1.00 0.00 O ATOM 498 CB THR A 33 -10.102 0.418 -7.690 1.00 0.00 C ATOM 499 OG1 THR A 33 -11.360 0.055 -7.146 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.962 -0.280 -9.026 1.00 0.00 C ATOM 0 H THR A 33 -9.471 -0.403 -4.738 1.00 0.00 H new ATOM 0 HA THR A 33 -8.172 -0.411 -7.262 1.00 0.00 H new ATOM 0 HB THR A 33 -10.037 1.494 -7.851 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.069 0.277 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.795 -0.001 -9.671 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.024 0.018 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.965 -1.359 -8.875 1.00 0.00 H new ATOM 508 N LEU A 34 -8.122 2.348 -6.930 1.00 0.00 N ATOM 509 CA LEU A 34 -7.605 3.619 -6.443 1.00 0.00 C ATOM 510 C LEU A 34 -8.742 4.478 -5.911 1.00 0.00 C ATOM 511 O LEU A 34 -8.568 5.240 -4.960 1.00 0.00 O ATOM 512 CB LEU A 34 -6.850 4.354 -7.552 1.00 0.00 C ATOM 513 CG LEU A 34 -5.684 3.577 -8.165 1.00 0.00 C ATOM 514 CD1 LEU A 34 -5.096 4.336 -9.345 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.614 3.304 -7.116 1.00 0.00 C ATOM 0 H LEU A 34 -8.228 2.291 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.907 3.422 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.555 4.607 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.470 5.294 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.061 2.621 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.268 3.767 -9.767 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.864 4.478 -10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.734 5.308 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.792 2.750 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.241 4.249 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.042 2.717 -6.304 1.00 0.00 H new ATOM 527 N ARG A 35 -9.917 4.333 -6.518 1.00 0.00 N ATOM 528 CA ARG A 35 -11.089 5.079 -6.088 1.00 0.00 C ATOM 529 C ARG A 35 -11.570 4.553 -4.743 1.00 0.00 C ATOM 530 O ARG A 35 -11.880 5.322 -3.833 1.00 0.00 O ATOM 531 CB ARG A 35 -12.206 4.967 -7.128 1.00 0.00 C ATOM 532 CG ARG A 35 -11.997 5.856 -8.343 1.00 0.00 C ATOM 533 CD ARG A 35 -12.011 7.330 -7.966 1.00 0.00 C ATOM 534 NE ARG A 35 -10.842 8.036 -8.484 1.00 0.00 N ATOM 535 CZ ARG A 35 -10.719 8.444 -9.745 1.00 0.00 C ATOM 536 NH1 ARG A 35 -11.689 8.212 -10.622 1.00 0.00 N ATOM 537 NH2 ARG A 35 -9.624 9.083 -10.131 1.00 0.00 N ATOM 0 H ARG A 35 -10.079 3.707 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.818 6.130 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.283 3.930 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.155 5.225 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.046 5.610 -8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.779 5.660 -9.077 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.917 7.795 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.042 7.427 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.074 8.228 -7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.533 7.719 -10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.590 8.527 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.875 9.262 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.530 9.396 -11.097 1.00 0.00 H new ATOM 551 N GLU A 36 -11.611 3.228 -4.622 1.00 0.00 N ATOM 552 CA GLU A 36 -12.034 2.588 -3.385 1.00 0.00 C ATOM 553 C GLU A 36 -11.045 2.898 -2.269 1.00 0.00 C ATOM 554 O GLU A 36 -11.427 3.038 -1.106 1.00 0.00 O ATOM 555 CB GLU A 36 -12.156 1.071 -3.577 1.00 0.00 C ATOM 556 CG GLU A 36 -13.424 0.483 -2.983 1.00 0.00 C ATOM 557 CD GLU A 36 -14.670 0.899 -3.741 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.640 0.877 -4.989 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.675 1.246 -3.085 1.00 0.00 O ATOM 0 H GLU A 36 -11.356 2.579 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.013 2.981 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.125 0.844 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.293 0.585 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.350 -0.604 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.514 0.798 -1.943 1.00 0.00 H new ATOM 566 N ALA A 37 -9.768 3.015 -2.632 1.00 0.00 N ATOM 567 CA ALA A 37 -8.731 3.320 -1.659 1.00 0.00 C ATOM 568 C ALA A 37 -8.827 4.770 -1.212 1.00 0.00 C ATOM 569 O ALA A 37 -8.825 5.059 -0.016 1.00 0.00 O ATOM 570 CB ALA A 37 -7.355 3.026 -2.239 1.00 0.00 C ATOM 0 H ALA A 37 -9.432 2.903 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.879 2.684 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.590 3.260 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.291 1.971 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.197 3.636 -3.128 1.00 0.00 H new ATOM 576 N GLU A 38 -8.920 5.683 -2.178 1.00 0.00 N ATOM 577 CA GLU A 38 -9.029 7.106 -1.872 1.00 0.00 C ATOM 578 C GLU A 38 -10.071 7.336 -0.789 1.00 0.00 C ATOM 579 O GLU A 38 -9.827 8.061 0.175 1.00 0.00 O ATOM 580 CB GLU A 38 -9.385 7.901 -3.126 1.00 0.00 C ATOM 581 CG GLU A 38 -8.202 8.145 -4.049 1.00 0.00 C ATOM 582 CD GLU A 38 -8.605 8.801 -5.355 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.640 9.502 -5.372 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.888 8.615 -6.360 1.00 0.00 O ATOM 0 H GLU A 38 -8.922 5.463 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.062 7.453 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.160 7.368 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.808 8.861 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.473 8.776 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.710 7.196 -4.261 1.00 0.00 H new ATOM 591 N LYS A 39 -11.225 6.693 -0.935 1.00 0.00 N ATOM 592 CA LYS A 39 -12.283 6.812 0.056 1.00 0.00 C ATOM 593 C LYS A 39 -11.761 6.340 1.407 1.00 0.00 C ATOM 594 O LYS A 39 -11.814 7.069 2.398 1.00 0.00 O ATOM 595 CB LYS A 39 -13.504 5.989 -0.357 1.00 0.00 C ATOM 596 CG LYS A 39 -14.633 6.018 0.660 1.00 0.00 C ATOM 597 CD LYS A 39 -14.486 4.906 1.686 1.00 0.00 C ATOM 598 CE LYS A 39 -15.839 4.343 2.097 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.129 3.047 1.423 1.00 0.00 N ATOM 0 H LYS A 39 -11.449 6.088 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.588 7.856 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.877 6.362 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.197 4.955 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.643 6.983 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.589 5.917 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.869 4.108 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.967 5.287 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.861 4.203 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.621 5.062 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.059 2.697 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.133 3.185 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.397 2.353 1.676 1.00 0.00 H new ATOM 613 N LYS A 40 -11.244 5.114 1.430 1.00 0.00 N ATOM 614 CA LYS A 40 -10.695 4.538 2.651 1.00 0.00 C ATOM 615 C LYS A 40 -9.578 5.418 3.208 1.00 0.00 C ATOM 616 O LYS A 40 -9.333 5.436 4.414 1.00 0.00 O ATOM 617 CB LYS A 40 -10.166 3.128 2.379 1.00 0.00 C ATOM 618 CG LYS A 40 -11.179 2.217 1.703 1.00 0.00 C ATOM 619 CD LYS A 40 -11.858 1.299 2.705 1.00 0.00 C ATOM 620 CE LYS A 40 -12.454 0.077 2.026 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.509 -0.563 2.861 1.00 0.00 N ATOM 0 H LYS A 40 -11.195 4.501 0.616 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.492 4.481 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.277 3.197 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.857 2.677 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.930 2.821 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.680 1.619 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.136 0.982 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.643 1.846 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.878 0.367 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.664 -0.646 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.890 -1.392 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.099 -0.862 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.275 0.119 3.035 1.00 0.00 H new ATOM 635 N ILE A 41 -8.906 6.150 2.320 1.00 0.00 N ATOM 636 CA ILE A 41 -7.819 7.034 2.727 1.00 0.00 C ATOM 637 C ILE A 41 -8.322 8.454 2.989 1.00 0.00 C ATOM 638 O ILE A 41 -7.581 9.298 3.495 1.00 0.00 O ATOM 639 CB ILE A 41 -6.707 7.082 1.663 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.205 5.669 1.357 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.558 7.965 2.129 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.450 5.566 0.049 1.00 0.00 C ATOM 0 H ILE A 41 -9.096 6.147 1.318 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.412 6.624 3.651 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.120 7.511 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.557 5.339 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.055 4.988 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.782 7.986 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.924 8.977 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.144 7.565 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.124 4.537 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.102 5.865 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.580 6.222 0.079 1.00 0.00 H new ATOM 654 N LYS A 42 -9.583 8.713 2.651 1.00 0.00 N ATOM 655 CA LYS A 42 -10.174 10.029 2.861 1.00 0.00 C ATOM 656 C LYS A 42 -10.796 10.138 4.251 1.00 0.00 C ATOM 657 O LYS A 42 -11.474 11.118 4.562 1.00 0.00 O ATOM 658 CB LYS A 42 -11.230 10.313 1.796 1.00 0.00 C ATOM 659 CG LYS A 42 -10.666 10.933 0.527 1.00 0.00 C ATOM 660 CD LYS A 42 -10.848 12.444 0.512 1.00 0.00 C ATOM 661 CE LYS A 42 -11.551 12.913 -0.753 1.00 0.00 C ATOM 662 NZ LYS A 42 -10.611 13.580 -1.696 1.00 0.00 N ATOM 0 H LYS A 42 -10.213 8.029 2.231 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.378 10.769 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.736 9.382 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.983 10.981 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.606 10.693 0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.160 10.498 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.426 12.750 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.875 12.929 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.017 12.060 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.351 13.604 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.129 13.885 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.185 14.409 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.861 12.913 -1.969 1.00 0.00 H new ATOM 676 N GLU A 43 -10.562 9.128 5.085 1.00 0.00 N ATOM 677 CA GLU A 43 -11.098 9.112 6.440 1.00 0.00 C ATOM 678 C GLU A 43 -10.160 8.366 7.380 1.00 0.00 C ATOM 679 O GLU A 43 -9.830 8.853 8.462 1.00 0.00 O ATOM 680 CB GLU A 43 -12.482 8.462 6.458 1.00 0.00 C ATOM 681 CG GLU A 43 -13.469 9.103 5.496 1.00 0.00 C ATOM 682 CD GLU A 43 -14.806 8.387 5.469 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.260 7.938 6.543 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.398 8.277 4.375 1.00 0.00 O ATOM 0 H GLU A 43 -10.003 8.309 4.844 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.188 10.143 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.381 7.405 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.886 8.516 7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.624 10.144 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.043 9.107 4.493 1.00 0.00 H new ATOM 691 N LEU A 44 -9.728 7.183 6.958 1.00 0.00 N ATOM 692 CA LEU A 44 -8.822 6.368 7.758 1.00 0.00 C ATOM 693 C LEU A 44 -7.382 6.839 7.584 1.00 0.00 C ATOM 694 O LEU A 44 -6.825 6.771 6.490 1.00 0.00 O ATOM 695 CB LEU A 44 -8.945 4.894 7.363 1.00 0.00 C ATOM 696 CG LEU A 44 -9.407 3.960 8.482 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.390 3.938 9.613 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.773 4.384 9.000 1.00 0.00 C ATOM 0 H LEU A 44 -9.991 6.767 6.065 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.098 6.476 8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.645 4.814 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.977 4.549 6.999 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.491 2.952 8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.736 3.268 10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.431 3.587 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.274 4.944 10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.086 3.708 9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.715 5.401 9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.498 4.347 8.187 1.00 0.00 H new ATOM 710 N PHE A 45 -6.787 7.320 8.670 1.00 0.00 N ATOM 711 CA PHE A 45 -5.413 7.805 8.633 1.00 0.00 C ATOM 712 C PHE A 45 -4.434 6.653 8.427 1.00 0.00 C ATOM 713 O PHE A 45 -3.698 6.277 9.339 1.00 0.00 O ATOM 714 CB PHE A 45 -5.075 8.554 9.924 1.00 0.00 C ATOM 715 CG PHE A 45 -3.882 9.458 9.796 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.601 8.966 9.981 1.00 0.00 C ATOM 717 CD2 PHE A 45 -4.044 10.799 9.486 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.501 9.796 9.862 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.948 11.634 9.365 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.675 11.131 9.554 1.00 0.00 C ATOM 0 H PHE A 45 -7.234 7.384 9.585 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.321 8.491 7.791 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.938 9.146 10.228 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.889 7.830 10.717 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.459 7.923 10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.037 11.196 9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.507 9.400 10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.087 12.677 9.123 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.817 11.781 9.461 1.00 0.00 H new ATOM 730 N PHE A 46 -4.429 6.099 7.219 1.00 0.00 N ATOM 731 CA PHE A 46 -3.539 4.994 6.890 1.00 0.00 C ATOM 732 C PHE A 46 -2.087 5.467 6.832 1.00 0.00 C ATOM 733 O PHE A 46 -1.733 6.282 5.980 1.00 0.00 O ATOM 734 CB PHE A 46 -3.929 4.380 5.543 1.00 0.00 C ATOM 735 CG PHE A 46 -5.141 3.496 5.607 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.272 2.543 6.604 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.149 3.618 4.665 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.387 1.728 6.662 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.266 2.807 4.717 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.385 1.861 5.715 1.00 0.00 C ATOM 0 H PHE A 46 -5.032 6.398 6.452 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.634 4.240 7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.114 5.182 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.088 3.801 5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.494 2.436 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.061 4.356 3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.478 0.990 7.445 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.046 2.913 3.977 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.257 1.225 5.756 1.00 0.00 H new ATOM 750 N PRO A 47 -1.218 4.960 7.725 1.00 0.00 N ATOM 751 CA PRO A 47 0.190 5.339 7.740 1.00 0.00 C ATOM 752 C PRO A 47 0.954 4.689 6.593 1.00 0.00 C ATOM 753 O PRO A 47 1.867 5.286 6.026 1.00 0.00 O ATOM 754 CB PRO A 47 0.711 4.834 9.094 1.00 0.00 C ATOM 755 CG PRO A 47 -0.454 4.204 9.796 1.00 0.00 C ATOM 756 CD PRO A 47 -1.526 3.974 8.767 1.00 0.00 C ATOM 0 HA PRO A 47 0.322 6.414 7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.515 4.112 8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.119 5.656 9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.159 3.263 10.261 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.819 4.852 10.593 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.497 2.956 8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.522 4.128 9.183 1.00 0.00 H new ATOM 764 N VAL A 48 0.576 3.457 6.260 1.00 0.00 N ATOM 765 CA VAL A 48 1.224 2.721 5.183 1.00 0.00 C ATOM 766 C VAL A 48 0.219 2.247 4.136 1.00 0.00 C ATOM 767 O VAL A 48 -0.769 1.588 4.459 1.00 0.00 O ATOM 768 CB VAL A 48 1.983 1.498 5.721 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.848 0.886 4.633 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.821 1.880 6.925 1.00 0.00 C ATOM 0 H VAL A 48 -0.177 2.949 6.723 1.00 0.00 H new ATOM 0 HA VAL A 48 1.926 3.413 4.718 1.00 0.00 H new ATOM 0 HB VAL A 48 1.255 0.751 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.378 0.021 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.218 0.573 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.570 1.624 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.351 1.002 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.542 2.646 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.173 2.268 7.711 1.00 0.00 H new ATOM 780 N ILE A 49 0.487 2.586 2.881 1.00 0.00 N ATOM 781 CA ILE A 49 -0.377 2.198 1.774 1.00 0.00 C ATOM 782 C ILE A 49 0.341 1.221 0.850 1.00 0.00 C ATOM 783 O ILE A 49 1.472 1.466 0.431 1.00 0.00 O ATOM 784 CB ILE A 49 -0.832 3.419 0.951 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.242 4.569 1.873 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.981 3.037 0.030 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.351 4.205 2.835 1.00 0.00 C ATOM 0 H ILE A 49 1.302 3.133 2.604 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.255 1.721 2.209 1.00 0.00 H new ATOM 0 HB ILE A 49 0.006 3.755 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.372 4.896 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.562 5.415 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.292 3.909 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.655 2.251 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.820 2.677 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.590 5.067 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.236 3.906 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.027 3.379 3.468 1.00 0.00 H new ATOM 799 N VAL A 50 -0.320 0.112 0.537 1.00 0.00 N ATOM 800 CA VAL A 50 0.263 -0.900 -0.336 1.00 0.00 C ATOM 801 C VAL A 50 -0.635 -1.177 -1.532 1.00 0.00 C ATOM 802 O VAL A 50 -1.689 -1.800 -1.405 1.00 0.00 O ATOM 803 CB VAL A 50 0.527 -2.210 0.426 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.171 -3.245 -0.485 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.402 -1.940 1.641 1.00 0.00 C ATOM 0 H VAL A 50 -1.257 -0.109 0.874 1.00 0.00 H new ATOM 0 HA VAL A 50 1.214 -0.505 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.427 -2.613 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.348 -4.163 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.507 -3.455 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.119 -2.860 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.583 -2.874 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.353 -1.516 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.898 -1.236 2.303 1.00 0.00 H new ATOM 815 N LEU A 51 -0.204 -0.707 -2.695 1.00 0.00 N ATOM 816 CA LEU A 51 -0.960 -0.896 -3.926 1.00 0.00 C ATOM 817 C LEU A 51 -0.484 -2.138 -4.671 1.00 0.00 C ATOM 818 O LEU A 51 0.696 -2.487 -4.633 1.00 0.00 O ATOM 819 CB LEU A 51 -0.831 0.338 -4.824 1.00 0.00 C ATOM 820 CG LEU A 51 -1.480 0.209 -6.204 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.977 0.462 -6.115 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.832 1.170 -7.188 1.00 0.00 C ATOM 0 H LEU A 51 0.668 -0.191 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.009 -1.034 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.275 1.190 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.227 0.562 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.326 -0.808 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.422 0.366 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.430 -0.266 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.154 1.468 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.305 1.065 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.956 2.193 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.230 0.942 -7.274 1.00 0.00 H new ATOM 834 N ASP A 52 -1.413 -2.797 -5.352 1.00 0.00 N ATOM 835 CA ASP A 52 -1.102 -3.999 -6.115 1.00 0.00 C ATOM 836 C ASP A 52 -1.569 -3.854 -7.558 1.00 0.00 C ATOM 837 O ASP A 52 -2.741 -4.068 -7.868 1.00 0.00 O ATOM 838 CB ASP A 52 -1.757 -5.223 -5.473 1.00 0.00 C ATOM 839 CG ASP A 52 -0.907 -6.471 -5.605 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.934 -7.095 -6.687 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.215 -6.825 -4.627 1.00 0.00 O ATOM 0 H ASP A 52 -2.393 -2.517 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.021 -4.136 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.940 -5.022 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.728 -5.397 -5.937 1.00 0.00 H new ATOM 846 N VAL A 53 -0.645 -3.480 -8.438 1.00 0.00 N ATOM 847 CA VAL A 53 -0.960 -3.297 -9.849 1.00 0.00 C ATOM 848 C VAL A 53 -1.316 -4.624 -10.516 1.00 0.00 C ATOM 849 O VAL A 53 -0.536 -5.164 -11.301 1.00 0.00 O ATOM 850 CB VAL A 53 0.218 -2.653 -10.605 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.182 -2.306 -12.029 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.716 -1.420 -9.869 1.00 0.00 C ATOM 0 H VAL A 53 0.329 -3.298 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.822 -2.632 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 53 1.032 -3.376 -10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.665 -1.853 -12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.483 -3.213 -12.554 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.015 -1.603 -12.012 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.548 -0.979 -10.419 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.092 -0.693 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.050 -1.702 -8.870 1.00 0.00 H new ATOM 862 N TRP A 54 -2.501 -5.144 -10.206 1.00 0.00 N ATOM 863 CA TRP A 54 -2.955 -6.403 -10.785 1.00 0.00 C ATOM 864 C TRP A 54 -3.499 -6.174 -12.196 1.00 0.00 C ATOM 865 O TRP A 54 -2.748 -6.209 -13.171 1.00 0.00 O ATOM 866 CB TRP A 54 -4.021 -7.046 -9.889 1.00 0.00 C ATOM 867 CG TRP A 54 -4.719 -8.210 -10.528 1.00 0.00 C ATOM 868 CD1 TRP A 54 -6.012 -8.252 -10.967 1.00 0.00 C ATOM 869 CD2 TRP A 54 -4.159 -9.497 -10.803 1.00 0.00 C ATOM 870 NE1 TRP A 54 -6.290 -9.491 -11.493 1.00 0.00 N ATOM 871 CE2 TRP A 54 -5.167 -10.273 -11.405 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.902 -10.067 -10.597 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.955 -11.590 -11.802 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -2.692 -11.374 -10.992 1.00 0.00 C ATOM 875 CH2 TRP A 54 -3.713 -12.124 -11.588 1.00 0.00 C ATOM 0 H TRP A 54 -3.162 -4.714 -9.559 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.107 -7.084 -10.852 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.553 -7.378 -8.962 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.761 -6.292 -9.620 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.713 -7.432 -10.909 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.186 -9.781 -11.885 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.108 -9.497 -10.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.742 -12.169 -12.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.723 -11.825 -10.838 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.517 -13.144 -11.885 1.00 0.00 H new ATOM 886 N MET A 55 -4.803 -5.930 -12.299 1.00 0.00 N ATOM 887 CA MET A 55 -5.435 -5.686 -13.589 1.00 0.00 C ATOM 888 C MET A 55 -6.492 -4.585 -13.485 1.00 0.00 C ATOM 889 O MET A 55 -7.602 -4.730 -13.998 1.00 0.00 O ATOM 890 CB MET A 55 -6.070 -6.974 -14.120 1.00 0.00 C ATOM 891 CG MET A 55 -6.664 -6.829 -15.514 1.00 0.00 C ATOM 892 SD MET A 55 -5.920 -7.955 -16.711 1.00 0.00 S ATOM 893 CE MET A 55 -6.849 -9.453 -16.392 1.00 0.00 C ATOM 0 H MET A 55 -5.441 -5.896 -11.504 1.00 0.00 H new ATOM 0 HA MET A 55 -4.664 -5.354 -14.285 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.317 -7.762 -14.135 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.852 -7.294 -13.432 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.737 -7.013 -15.468 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.531 -5.803 -15.856 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.503 -10.244 -17.057 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.701 -9.759 -15.356 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.909 -9.268 -16.568 1.00 0.00 H new ATOM 903 N PRO A 56 -6.165 -3.462 -12.815 1.00 0.00 N ATOM 904 CA PRO A 56 -7.095 -2.343 -12.652 1.00 0.00 C ATOM 905 C PRO A 56 -7.204 -1.490 -13.911 1.00 0.00 C ATOM 906 O PRO A 56 -6.750 -1.889 -14.983 1.00 0.00 O ATOM 907 CB PRO A 56 -6.470 -1.540 -11.513 1.00 0.00 C ATOM 908 CG PRO A 56 -5.007 -1.788 -11.643 1.00 0.00 C ATOM 909 CD PRO A 56 -4.864 -3.193 -12.166 1.00 0.00 C ATOM 0 HA PRO A 56 -8.113 -2.679 -12.452 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.702 -0.479 -11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.844 -1.869 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.550 -1.071 -12.324 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.506 -1.678 -10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.039 -3.274 -12.874 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.664 -3.901 -11.362 1.00 0.00 H new ATOM 917 N ASP A 57 -7.809 -0.314 -13.775 1.00 0.00 N ATOM 918 CA ASP A 57 -7.977 0.596 -14.904 1.00 0.00 C ATOM 919 C ASP A 57 -7.220 1.900 -14.670 1.00 0.00 C ATOM 920 O ASP A 57 -6.550 2.410 -15.570 1.00 0.00 O ATOM 921 CB ASP A 57 -9.460 0.889 -15.134 1.00 0.00 C ATOM 922 CG ASP A 57 -10.278 -0.374 -15.322 1.00 0.00 C ATOM 923 OD1 ASP A 57 -10.592 -1.034 -14.310 1.00 0.00 O ATOM 924 OD2 ASP A 57 -10.603 -0.702 -16.482 1.00 0.00 O ATOM 0 H ASP A 57 -8.191 0.032 -12.895 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.567 0.113 -15.791 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.852 1.449 -14.285 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.570 1.524 -16.013 1.00 0.00 H new ATOM 929 N GLY A 58 -7.332 2.436 -13.459 1.00 0.00 N ATOM 930 CA GLY A 58 -6.654 3.676 -13.132 1.00 0.00 C ATOM 931 C GLY A 58 -5.149 3.513 -13.052 1.00 0.00 C ATOM 932 O GLY A 58 -4.644 2.395 -12.955 1.00 0.00 O ATOM 0 H GLY A 58 -7.880 2.034 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.895 4.427 -13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.027 4.049 -12.178 1.00 0.00 H new ATOM 936 N ASP A 59 -4.431 4.631 -13.091 1.00 0.00 N ATOM 937 CA ASP A 59 -2.975 4.608 -13.023 1.00 0.00 C ATOM 938 C ASP A 59 -2.493 4.873 -11.599 1.00 0.00 C ATOM 939 O ASP A 59 -2.779 5.922 -11.022 1.00 0.00 O ATOM 940 CB ASP A 59 -2.382 5.645 -13.979 1.00 0.00 C ATOM 941 CG ASP A 59 -1.548 5.012 -15.074 1.00 0.00 C ATOM 942 OD1 ASP A 59 -2.118 4.670 -16.132 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.324 4.856 -14.875 1.00 0.00 O ATOM 0 H ASP A 59 -4.835 5.565 -13.169 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.637 3.616 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.189 6.223 -14.429 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.765 6.344 -13.415 1.00 0.00 H new ATOM 948 N GLY A 60 -1.760 3.917 -11.041 1.00 0.00 N ATOM 949 CA GLY A 60 -1.250 4.066 -9.690 1.00 0.00 C ATOM 950 C GLY A 60 -0.108 5.062 -9.605 1.00 0.00 C ATOM 951 O GLY A 60 0.181 5.591 -8.531 1.00 0.00 O ATOM 0 H GLY A 60 -1.509 3.041 -11.499 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.058 4.389 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.910 3.097 -9.325 1.00 0.00 H new ATOM 955 N VAL A 61 0.543 5.318 -10.736 1.00 0.00 N ATOM 956 CA VAL A 61 1.656 6.252 -10.784 1.00 0.00 C ATOM 957 C VAL A 61 1.237 7.633 -10.285 1.00 0.00 C ATOM 958 O VAL A 61 2.003 8.317 -9.607 1.00 0.00 O ATOM 959 CB VAL A 61 2.204 6.374 -12.217 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.345 7.371 -12.271 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.655 5.016 -12.736 1.00 0.00 C ATOM 0 H VAL A 61 0.316 4.888 -11.633 1.00 0.00 H new ATOM 0 HA VAL A 61 2.437 5.862 -10.131 1.00 0.00 H new ATOM 0 HB VAL A 61 1.402 6.737 -12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.718 7.442 -13.293 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.990 8.349 -11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.149 7.040 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.039 5.123 -13.750 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.440 4.622 -12.091 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.809 4.329 -12.739 1.00 0.00 H new ATOM 971 N ASN A 62 0.018 8.036 -10.627 1.00 0.00 N ATOM 972 CA ASN A 62 -0.502 9.336 -10.216 1.00 0.00 C ATOM 973 C ASN A 62 -1.146 9.262 -8.833 1.00 0.00 C ATOM 974 O ASN A 62 -1.278 10.275 -8.147 1.00 0.00 O ATOM 975 CB ASN A 62 -1.519 9.846 -11.241 1.00 0.00 C ATOM 976 CG ASN A 62 -1.067 11.127 -11.916 1.00 0.00 C ATOM 977 OD1 ASN A 62 -1.380 12.226 -11.460 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.325 10.990 -13.007 1.00 0.00 N ATOM 0 H ASN A 62 -0.629 7.481 -11.188 1.00 0.00 H new ATOM 0 HA ASN A 62 0.335 10.032 -10.164 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.684 9.079 -11.997 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.475 10.017 -10.746 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.010 11.816 -13.503 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.089 10.059 -13.350 1.00 0.00 H new ATOM 985 N PHE A 63 -1.549 8.060 -8.430 1.00 0.00 N ATOM 986 CA PHE A 63 -2.182 7.865 -7.129 1.00 0.00 C ATOM 987 C PHE A 63 -1.209 8.170 -5.995 1.00 0.00 C ATOM 988 O PHE A 63 -1.582 8.778 -4.989 1.00 0.00 O ATOM 989 CB PHE A 63 -2.704 6.434 -6.997 1.00 0.00 C ATOM 990 CG PHE A 63 -3.454 6.189 -5.719 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.366 7.120 -5.247 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.246 5.031 -4.988 1.00 0.00 C ATOM 993 CE1 PHE A 63 -5.056 6.900 -4.071 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.933 4.805 -3.810 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.840 5.742 -3.351 1.00 0.00 C ATOM 0 H PHE A 63 -1.449 7.209 -8.983 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.021 8.557 -7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.358 6.214 -7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.864 5.742 -7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.539 8.028 -5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.539 4.296 -5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.764 7.633 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.762 3.898 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.378 5.568 -2.431 1.00 0.00 H new ATOM 1005 N ILE A 64 0.042 7.744 -6.162 1.00 0.00 N ATOM 1006 CA ILE A 64 1.073 7.971 -5.152 1.00 0.00 C ATOM 1007 C ILE A 64 1.049 9.414 -4.656 1.00 0.00 C ATOM 1008 O ILE A 64 1.413 9.694 -3.514 1.00 0.00 O ATOM 1009 CB ILE A 64 2.478 7.645 -5.700 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.525 6.206 -6.220 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.536 7.859 -4.624 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.996 6.099 -7.653 1.00 0.00 C ATOM 0 H ILE A 64 0.366 7.240 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 64 0.855 7.303 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 64 2.691 8.321 -6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.187 5.619 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.531 5.766 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.520 7.624 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.517 8.899 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.328 7.208 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.005 5.052 -7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.321 6.658 -8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.002 6.509 -7.737 1.00 0.00 H new ATOM 1024 N ASP A 65 0.612 10.325 -5.520 1.00 0.00 N ATOM 1025 CA ASP A 65 0.534 11.734 -5.162 1.00 0.00 C ATOM 1026 C ASP A 65 -0.582 11.971 -4.153 1.00 0.00 C ATOM 1027 O ASP A 65 -0.359 12.572 -3.104 1.00 0.00 O ATOM 1028 CB ASP A 65 0.307 12.592 -6.410 1.00 0.00 C ATOM 1029 CG ASP A 65 1.207 13.812 -6.443 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.620 14.275 -5.359 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.499 14.305 -7.553 1.00 0.00 O ATOM 0 H ASP A 65 0.308 10.112 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 65 1.481 12.022 -4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.485 11.988 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.735 12.911 -6.444 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.783 11.489 -4.466 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.927 11.646 -3.575 1.00 0.00 C ATOM 1038 C PHE A 66 -2.558 11.237 -2.152 1.00 0.00 C ATOM 1039 O PHE A 66 -2.949 11.892 -1.186 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.107 10.806 -4.085 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.187 10.573 -3.064 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.101 9.512 -2.177 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.287 11.412 -2.994 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.092 9.293 -1.239 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.281 11.199 -2.059 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.183 10.137 -1.180 1.00 0.00 C ATOM 0 H PHE A 66 -1.988 10.987 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.220 12.696 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.543 11.302 -4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.731 9.841 -4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.250 8.849 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.368 12.243 -3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.013 8.463 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.133 11.861 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.959 9.968 -0.448 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.795 10.154 -2.032 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.367 9.671 -0.727 1.00 0.00 C ATOM 1058 C ILE A 67 -0.553 10.741 -0.004 1.00 0.00 C ATOM 1059 O ILE A 67 -0.804 11.043 1.162 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.536 8.373 -0.848 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.430 7.211 -1.288 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.147 8.039 0.473 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.723 7.195 -2.772 1.00 0.00 C ATOM 0 H ILE A 67 -1.463 9.598 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.264 9.448 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 67 0.236 8.532 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.951 6.272 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.372 7.262 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.725 7.122 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.812 8.855 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.607 7.901 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.362 6.344 -3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.231 8.118 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.788 7.112 -3.327 1.00 0.00 H new ATOM 1075 N LYS A 68 0.417 11.322 -0.704 1.00 0.00 N ATOM 1076 CA LYS A 68 1.251 12.364 -0.117 1.00 0.00 C ATOM 1077 C LYS A 68 0.498 13.690 -0.051 1.00 0.00 C ATOM 1078 O LYS A 68 0.862 14.584 0.713 1.00 0.00 O ATOM 1079 CB LYS A 68 2.539 12.531 -0.925 1.00 0.00 C ATOM 1080 CG LYS A 68 3.416 11.290 -0.931 1.00 0.00 C ATOM 1081 CD LYS A 68 4.521 11.381 0.111 1.00 0.00 C ATOM 1082 CE LYS A 68 5.860 10.936 -0.452 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.637 10.133 0.532 1.00 0.00 N ATOM 0 H LYS A 68 0.643 11.091 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 68 1.507 12.063 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.283 12.790 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.108 13.367 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.803 10.410 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.857 11.160 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.600 12.407 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.263 10.762 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.697 10.346 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.440 11.811 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.544 9.849 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.815 10.704 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.095 9.284 0.792 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.556 13.810 -0.855 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.363 15.023 -0.885 1.00 0.00 C ATOM 1099 C GLU A 69 -2.122 15.198 0.425 1.00 0.00 C ATOM 1100 O GLU A 69 -2.082 16.263 1.041 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.346 14.975 -2.054 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.028 16.306 -2.331 1.00 0.00 C ATOM 1103 CD GLU A 69 -3.862 16.281 -3.596 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.045 15.887 -3.520 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -3.334 16.659 -4.664 1.00 0.00 O ATOM 0 H GLU A 69 -0.870 13.080 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.695 15.874 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.816 14.654 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.107 14.222 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.665 16.567 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.272 17.087 -2.414 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.818 14.146 0.839 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.594 14.177 2.072 1.00 0.00 C ATOM 1114 C ASN A 70 -2.994 13.253 3.131 1.00 0.00 C ATOM 1115 O ASN A 70 -3.641 12.937 4.129 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.045 13.779 1.790 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.574 14.401 0.511 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.375 15.334 0.546 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.125 13.884 -0.629 1.00 0.00 N ATOM 0 H ASN A 70 -2.861 13.259 0.337 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.568 15.195 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.115 12.694 1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.673 14.085 2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.445 14.261 -1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.461 13.110 -0.611 1.00 0.00 H new ATOM 1126 N SER A 71 -1.754 12.823 2.909 1.00 0.00 N ATOM 1127 CA SER A 71 -1.073 11.940 3.848 1.00 0.00 C ATOM 1128 C SER A 71 0.440 11.988 3.636 1.00 0.00 C ATOM 1129 O SER A 71 1.051 11.005 3.216 1.00 0.00 O ATOM 1130 CB SER A 71 -1.583 10.505 3.694 1.00 0.00 C ATOM 1131 OG SER A 71 -2.392 10.129 4.794 1.00 0.00 O ATOM 0 H SER A 71 -1.202 13.072 2.088 1.00 0.00 H new ATOM 0 HA SER A 71 -1.290 12.284 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.156 10.417 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.737 9.822 3.611 1.00 0.00 H new ATOM 0 HG SER A 71 -3.033 10.844 4.988 1.00 0.00 H new ATOM 1137 N PRO A 72 1.066 13.142 3.924 1.00 0.00 N ATOM 1138 CA PRO A 72 2.511 13.317 3.765 1.00 0.00 C ATOM 1139 C PRO A 72 3.301 12.517 4.790 1.00 0.00 C ATOM 1140 O PRO A 72 4.490 12.253 4.613 1.00 0.00 O ATOM 1141 CB PRO A 72 2.731 14.825 3.974 1.00 0.00 C ATOM 1142 CG PRO A 72 1.367 15.436 3.974 1.00 0.00 C ATOM 1143 CD PRO A 72 0.426 14.361 4.427 1.00 0.00 C ATOM 0 HA PRO A 72 2.855 12.962 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.247 15.019 4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.348 15.245 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.326 16.296 4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.100 15.793 2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.321 14.345 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.573 14.495 4.012 1.00 0.00 H new ATOM 1151 N ASP A 73 2.623 12.136 5.858 1.00 0.00 N ATOM 1152 CA ASP A 73 3.240 11.360 6.927 1.00 0.00 C ATOM 1153 C ASP A 73 2.896 9.879 6.790 1.00 0.00 C ATOM 1154 O ASP A 73 2.852 9.148 7.780 1.00 0.00 O ATOM 1155 CB ASP A 73 2.789 11.882 8.288 1.00 0.00 C ATOM 1156 CG ASP A 73 3.934 12.464 9.094 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.655 13.333 8.558 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.112 12.050 10.258 1.00 0.00 O ATOM 0 H ASP A 73 1.638 12.352 6.011 1.00 0.00 H new ATOM 0 HA ASP A 73 4.322 11.470 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.024 12.645 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.328 11.070 8.851 1.00 0.00 H new ATOM 1163 N SER A 74 2.654 9.446 5.557 1.00 0.00 N ATOM 1164 CA SER A 74 2.313 8.054 5.288 1.00 0.00 C ATOM 1165 C SER A 74 3.370 7.399 4.404 1.00 0.00 C ATOM 1166 O SER A 74 4.386 8.012 4.077 1.00 0.00 O ATOM 1167 CB SER A 74 0.942 7.965 4.615 1.00 0.00 C ATOM 1168 OG SER A 74 0.594 6.619 4.341 1.00 0.00 O ATOM 0 H SER A 74 2.688 10.039 4.728 1.00 0.00 H new ATOM 0 HA SER A 74 2.278 7.522 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.187 8.415 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.951 8.537 3.687 1.00 0.00 H new ATOM 0 HG SER A 74 -0.205 6.377 4.855 1.00 0.00 H new ATOM 1174 N VAL A 75 3.122 6.151 4.019 1.00 0.00 N ATOM 1175 CA VAL A 75 4.057 5.423 3.174 1.00 0.00 C ATOM 1176 C VAL A 75 3.374 4.849 1.939 1.00 0.00 C ATOM 1177 O VAL A 75 2.252 4.359 2.000 1.00 0.00 O ATOM 1178 CB VAL A 75 4.750 4.279 3.938 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.782 3.602 3.046 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.395 4.802 5.213 1.00 0.00 C ATOM 0 H VAL A 75 2.286 5.627 4.278 1.00 0.00 H new ATOM 0 HA VAL A 75 4.808 6.149 2.862 1.00 0.00 H new ATOM 0 HB VAL A 75 4.000 3.540 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.265 2.795 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.289 3.195 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.531 4.331 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.880 3.980 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.137 5.559 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.631 5.242 5.853 1.00 0.00 H new ATOM 1190 N VAL A 76 4.071 4.927 0.818 1.00 0.00 N ATOM 1191 CA VAL A 76 3.548 4.420 -0.445 1.00 0.00 C ATOM 1192 C VAL A 76 4.490 3.384 -1.044 1.00 0.00 C ATOM 1193 O VAL A 76 5.380 3.717 -1.827 1.00 0.00 O ATOM 1194 CB VAL A 76 3.309 5.548 -1.472 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.227 5.147 -2.461 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.944 6.852 -0.776 1.00 0.00 C ATOM 0 H VAL A 76 5.003 5.337 0.754 1.00 0.00 H new ATOM 0 HA VAL A 76 2.588 3.955 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 76 4.237 5.709 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.072 5.954 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.534 4.245 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.298 4.954 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.781 7.630 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.033 6.711 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.756 7.150 -0.113 1.00 0.00 H new ATOM 1206 N ILE A 77 4.293 2.127 -0.661 1.00 0.00 N ATOM 1207 CA ILE A 77 5.127 1.036 -1.149 1.00 0.00 C ATOM 1208 C ILE A 77 4.800 0.692 -2.599 1.00 0.00 C ATOM 1209 O ILE A 77 5.603 0.940 -3.498 1.00 0.00 O ATOM 1210 CB ILE A 77 4.965 -0.224 -0.272 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.263 0.107 1.191 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.878 -1.339 -0.763 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.687 0.565 1.432 1.00 0.00 C ATOM 0 H ILE A 77 3.561 1.839 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 77 6.161 1.376 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 77 3.934 -0.568 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.578 0.886 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.065 -0.774 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.750 -2.219 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.624 -1.590 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.915 -1.007 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.825 0.782 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.378 -0.222 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.883 1.465 0.849 1.00 0.00 H new ATOM 1225 N VAL A 78 3.622 0.115 -2.823 1.00 0.00 N ATOM 1226 CA VAL A 78 3.207 -0.264 -4.169 1.00 0.00 C ATOM 1227 C VAL A 78 4.144 -1.325 -4.738 1.00 0.00 C ATOM 1228 O VAL A 78 5.343 -1.091 -4.886 1.00 0.00 O ATOM 1229 CB VAL A 78 3.186 0.953 -5.115 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.623 0.565 -6.475 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.385 2.092 -4.503 1.00 0.00 C ATOM 0 H VAL A 78 2.942 -0.099 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 78 2.197 -0.668 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 78 4.211 1.296 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.616 1.437 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.244 -0.215 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.605 0.194 -6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.382 2.942 -5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.361 1.763 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.838 2.388 -3.557 1.00 0.00 H new ATOM 1241 N ILE A 79 3.593 -2.495 -5.045 1.00 0.00 N ATOM 1242 CA ILE A 79 4.392 -3.593 -5.584 1.00 0.00 C ATOM 1243 C ILE A 79 3.861 -4.018 -6.961 1.00 0.00 C ATOM 1244 O ILE A 79 3.445 -3.170 -7.751 1.00 0.00 O ATOM 1245 CB ILE A 79 4.408 -4.798 -4.609 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.253 -4.324 -3.163 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.707 -5.581 -4.758 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.031 -5.449 -2.176 1.00 0.00 C ATOM 0 H ILE A 79 2.602 -2.708 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 79 5.417 -3.242 -5.702 1.00 0.00 H new ATOM 0 HB ILE A 79 3.569 -5.448 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.146 -3.769 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.414 -3.630 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.705 -6.424 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.795 -5.949 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.552 -4.930 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.930 -5.037 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.122 -5.990 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.881 -6.131 -2.205 1.00 0.00 H new ATOM 1260 N THR A 80 3.873 -5.320 -7.256 1.00 0.00 N ATOM 1261 CA THR A 80 3.390 -5.817 -8.542 1.00 0.00 C ATOM 1262 C THR A 80 4.260 -5.301 -9.684 1.00 0.00 C ATOM 1263 O THR A 80 4.128 -4.153 -10.109 1.00 0.00 O ATOM 1264 CB THR A 80 1.932 -5.407 -8.765 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.363 -4.904 -7.570 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.057 -6.544 -9.242 1.00 0.00 C ATOM 0 H THR A 80 4.211 -6.045 -6.623 1.00 0.00 H new ATOM 0 HA THR A 80 3.449 -6.905 -8.526 1.00 0.00 H new ATOM 0 HB THR A 80 1.964 -4.642 -9.541 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.392 -5.596 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.037 -6.185 -9.380 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.439 -6.924 -10.189 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.063 -7.343 -8.501 1.00 0.00 H new ATOM 1274 N GLY A 81 5.150 -6.157 -10.175 1.00 0.00 N ATOM 1275 CA GLY A 81 6.029 -5.772 -11.263 1.00 0.00 C ATOM 1276 C GLY A 81 7.053 -6.842 -11.584 1.00 0.00 C ATOM 1277 O GLY A 81 8.211 -6.538 -11.870 1.00 0.00 O ATOM 0 H GLY A 81 5.278 -7.111 -9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.433 -5.565 -12.152 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.543 -4.847 -11.001 1.00 0.00 H new ATOM 1281 N HIS A 82 6.627 -8.100 -11.534 1.00 0.00 N ATOM 1282 CA HIS A 82 7.514 -9.221 -11.820 1.00 0.00 C ATOM 1283 C HIS A 82 7.824 -9.304 -13.312 1.00 0.00 C ATOM 1284 O HIS A 82 7.127 -9.986 -14.063 1.00 0.00 O ATOM 1285 CB HIS A 82 6.883 -10.531 -11.342 1.00 0.00 C ATOM 1286 CG HIS A 82 7.814 -11.385 -10.539 1.00 0.00 C ATOM 1287 ND1 HIS A 82 9.187 -11.261 -10.594 1.00 0.00 N ATOM 1288 CD2 HIS A 82 7.565 -12.381 -9.656 1.00 0.00 C ATOM 1289 CE1 HIS A 82 9.740 -12.142 -9.781 1.00 0.00 C ATOM 1290 NE2 HIS A 82 8.778 -12.835 -9.200 1.00 0.00 N ATOM 0 H HIS A 82 5.672 -8.368 -11.298 1.00 0.00 H new ATOM 0 HA HIS A 82 8.449 -9.059 -11.283 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.003 -10.303 -10.741 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.540 -11.097 -12.208 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.593 -12.750 -9.364 1.00 0.00 H new ATOM 0 HE1 HIS A 82 10.800 -12.274 -9.619 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.914 -13.585 -8.523 1.00 0.00 H new ATOM 1299 N GLY A 83 8.873 -8.606 -13.732 1.00 0.00 N ATOM 1300 CA GLY A 83 9.257 -8.615 -15.132 1.00 0.00 C ATOM 1301 C GLY A 83 10.083 -7.403 -15.514 1.00 0.00 C ATOM 1302 O GLY A 83 10.913 -7.470 -16.421 1.00 0.00 O ATOM 0 H GLY A 83 9.464 -8.034 -13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.826 -9.520 -15.344 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.361 -8.650 -15.751 1.00 0.00 H new ATOM 1306 N SER A 84 9.856 -6.293 -14.820 1.00 0.00 N ATOM 1307 CA SER A 84 10.585 -5.060 -15.091 1.00 0.00 C ATOM 1308 C SER A 84 10.496 -4.104 -13.906 1.00 0.00 C ATOM 1309 O SER A 84 9.439 -3.961 -13.290 1.00 0.00 O ATOM 1310 CB SER A 84 10.036 -4.383 -16.349 1.00 0.00 C ATOM 1311 OG SER A 84 10.764 -4.778 -17.499 1.00 0.00 O ATOM 0 H SER A 84 9.173 -6.222 -14.066 1.00 0.00 H new ATOM 0 HA SER A 84 11.632 -5.315 -15.252 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.984 -4.640 -16.475 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.088 -3.300 -16.236 1.00 0.00 H new ATOM 0 HG SER A 84 10.989 -5.730 -17.433 1.00 0.00 H new ATOM 1317 N VAL A 85 11.610 -3.452 -13.593 1.00 0.00 N ATOM 1318 CA VAL A 85 11.658 -2.509 -12.482 1.00 0.00 C ATOM 1319 C VAL A 85 11.493 -1.076 -12.973 1.00 0.00 C ATOM 1320 O VAL A 85 12.073 -0.146 -12.413 1.00 0.00 O ATOM 1321 CB VAL A 85 12.982 -2.624 -11.702 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.915 -1.818 -10.413 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.307 -4.081 -11.412 1.00 0.00 C ATOM 0 H VAL A 85 12.492 -3.559 -14.093 1.00 0.00 H new ATOM 0 HA VAL A 85 10.832 -2.761 -11.817 1.00 0.00 H new ATOM 0 HB VAL A 85 13.782 -2.214 -12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.859 -1.911 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.734 -0.769 -10.649 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.104 -2.195 -9.790 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.245 -4.142 -10.861 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.507 -4.521 -10.816 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.402 -4.626 -12.351 1.00 0.00 H new ATOM 1333 N ASP A 86 10.698 -0.904 -14.024 1.00 0.00 N ATOM 1334 CA ASP A 86 10.458 0.417 -14.592 1.00 0.00 C ATOM 1335 C ASP A 86 9.253 1.084 -13.936 1.00 0.00 C ATOM 1336 O ASP A 86 9.147 2.312 -13.920 1.00 0.00 O ATOM 1337 CB ASP A 86 10.240 0.314 -16.103 1.00 0.00 C ATOM 1338 CG ASP A 86 9.026 -0.522 -16.457 1.00 0.00 C ATOM 1339 OD1 ASP A 86 8.770 -1.522 -15.755 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.334 -0.178 -17.438 1.00 0.00 O ATOM 0 H ASP A 86 10.209 -1.663 -14.499 1.00 0.00 H new ATOM 0 HA ASP A 86 11.338 1.031 -14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.122 1.315 -16.519 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.125 -0.122 -16.566 1.00 0.00 H new ATOM 1345 N THR A 87 8.349 0.276 -13.388 1.00 0.00 N ATOM 1346 CA THR A 87 7.162 0.806 -12.727 1.00 0.00 C ATOM 1347 C THR A 87 7.521 1.330 -11.343 1.00 0.00 C ATOM 1348 O THR A 87 6.974 2.333 -10.885 1.00 0.00 O ATOM 1349 CB THR A 87 6.069 -0.265 -12.632 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.812 0.328 -12.358 1.00 0.00 O ATOM 1351 CG2 THR A 87 6.324 -1.308 -11.563 1.00 0.00 C ATOM 0 H THR A 87 8.416 -0.742 -13.389 1.00 0.00 H new ATOM 0 HA THR A 87 6.774 1.632 -13.323 1.00 0.00 H new ATOM 0 HB THR A 87 6.076 -0.762 -13.602 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.126 -0.370 -12.302 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.508 -2.030 -11.557 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.262 -1.822 -11.773 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.386 -0.823 -10.589 1.00 0.00 H new ATOM 1359 N ALA A 88 8.460 0.654 -10.690 1.00 0.00 N ATOM 1360 CA ALA A 88 8.910 1.063 -9.367 1.00 0.00 C ATOM 1361 C ALA A 88 9.477 2.471 -9.425 1.00 0.00 C ATOM 1362 O ALA A 88 9.011 3.376 -8.732 1.00 0.00 O ATOM 1363 CB ALA A 88 9.959 0.096 -8.846 1.00 0.00 C ATOM 0 H ALA A 88 8.923 -0.178 -11.056 1.00 0.00 H new ATOM 0 HA ALA A 88 8.059 1.052 -8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.287 0.413 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.532 -0.905 -8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.812 0.084 -9.524 1.00 0.00 H new ATOM 1369 N VAL A 89 10.482 2.644 -10.273 1.00 0.00 N ATOM 1370 CA VAL A 89 11.120 3.940 -10.452 1.00 0.00 C ATOM 1371 C VAL A 89 10.093 5.003 -10.832 1.00 0.00 C ATOM 1372 O VAL A 89 10.249 6.178 -10.504 1.00 0.00 O ATOM 1373 CB VAL A 89 12.214 3.880 -11.536 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.289 2.876 -11.152 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.611 3.531 -12.890 1.00 0.00 C ATOM 0 H VAL A 89 10.874 1.899 -10.850 1.00 0.00 H new ATOM 0 HA VAL A 89 11.580 4.207 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 89 12.675 4.865 -11.613 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.053 2.847 -11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.743 3.173 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.842 1.888 -11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.400 3.494 -13.641 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.121 2.559 -12.830 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.880 4.290 -13.169 1.00 0.00 H new ATOM 1385 N LYS A 90 9.039 4.577 -11.525 1.00 0.00 N ATOM 1386 CA LYS A 90 7.981 5.488 -11.947 1.00 0.00 C ATOM 1387 C LYS A 90 7.058 5.836 -10.781 1.00 0.00 C ATOM 1388 O LYS A 90 6.256 6.766 -10.871 1.00 0.00 O ATOM 1389 CB LYS A 90 7.172 4.862 -13.087 1.00 0.00 C ATOM 1390 CG LYS A 90 5.994 5.712 -13.539 1.00 0.00 C ATOM 1391 CD LYS A 90 5.379 5.174 -14.821 1.00 0.00 C ATOM 1392 CE LYS A 90 4.874 6.298 -15.710 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.190 5.781 -16.927 1.00 0.00 N ATOM 0 H LYS A 90 8.896 3.607 -11.805 1.00 0.00 H new ATOM 0 HA LYS A 90 8.446 6.408 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.832 4.690 -13.937 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.804 3.887 -12.767 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.238 5.736 -12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.324 6.739 -13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.120 4.585 -15.362 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.555 4.503 -14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.184 6.925 -15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.711 6.931 -16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.861 6.580 -17.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.855 5.203 -17.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.376 5.198 -16.646 1.00 0.00 H new ATOM 1407 N ALA A 91 7.169 5.085 -9.688 1.00 0.00 N ATOM 1408 CA ALA A 91 6.338 5.320 -8.515 1.00 0.00 C ATOM 1409 C ALA A 91 7.138 5.960 -7.384 1.00 0.00 C ATOM 1410 O ALA A 91 6.653 6.867 -6.707 1.00 0.00 O ATOM 1411 CB ALA A 91 5.709 4.017 -8.046 1.00 0.00 C ATOM 0 H ALA A 91 7.826 4.310 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 91 5.547 6.015 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.090 4.207 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.091 3.604 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.494 3.306 -7.790 1.00 0.00 H new ATOM 1417 N ILE A 92 8.361 5.482 -7.178 1.00 0.00 N ATOM 1418 CA ILE A 92 9.216 6.012 -6.120 1.00 0.00 C ATOM 1419 C ILE A 92 9.691 7.420 -6.455 1.00 0.00 C ATOM 1420 O ILE A 92 9.888 8.247 -5.564 1.00 0.00 O ATOM 1421 CB ILE A 92 10.427 5.095 -5.849 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.469 5.212 -6.962 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.967 3.652 -5.703 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.666 4.305 -6.765 1.00 0.00 C ATOM 0 H ILE A 92 8.782 4.732 -7.727 1.00 0.00 H new ATOM 0 HA ILE A 92 8.613 6.051 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 92 10.895 5.415 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.998 4.977 -7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.811 6.245 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.829 3.013 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.267 3.576 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.475 3.332 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.364 4.440 -7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.161 4.555 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.335 3.267 -6.736 1.00 0.00 H new ATOM 1436 N LYS A 93 9.856 7.694 -7.744 1.00 0.00 N ATOM 1437 CA LYS A 93 10.289 9.012 -8.186 1.00 0.00 C ATOM 1438 C LYS A 93 9.198 10.043 -7.914 1.00 0.00 C ATOM 1439 O LYS A 93 9.474 11.235 -7.776 1.00 0.00 O ATOM 1440 CB LYS A 93 10.631 8.990 -9.678 1.00 0.00 C ATOM 1441 CG LYS A 93 11.445 10.190 -10.131 1.00 0.00 C ATOM 1442 CD LYS A 93 10.557 11.276 -10.717 1.00 0.00 C ATOM 1443 CE LYS A 93 11.378 12.395 -11.338 1.00 0.00 C ATOM 1444 NZ LYS A 93 10.856 13.739 -10.966 1.00 0.00 N ATOM 0 H LYS A 93 9.697 7.024 -8.497 1.00 0.00 H new ATOM 0 HA LYS A 93 11.183 9.288 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.186 8.079 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.706 8.950 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.004 10.592 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.176 9.875 -10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.901 10.843 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.917 11.684 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.415 12.306 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.372 12.291 -12.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.443 14.474 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.874 13.834 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.886 13.849 -9.932 1.00 0.00 H new ATOM 1458 N LYS A 94 7.955 9.572 -7.831 1.00 0.00 N ATOM 1459 CA LYS A 94 6.819 10.444 -7.568 1.00 0.00 C ATOM 1460 C LYS A 94 6.646 10.665 -6.069 1.00 0.00 C ATOM 1461 O LYS A 94 6.614 11.803 -5.600 1.00 0.00 O ATOM 1462 CB LYS A 94 5.541 9.844 -8.156 1.00 0.00 C ATOM 1463 CG LYS A 94 5.634 9.555 -9.646 1.00 0.00 C ATOM 1464 CD LYS A 94 5.336 10.794 -10.474 1.00 0.00 C ATOM 1465 CE LYS A 94 3.877 11.204 -10.355 1.00 0.00 C ATOM 1466 NZ LYS A 94 3.385 11.870 -11.593 1.00 0.00 N ATOM 0 H LYS A 94 7.712 8.588 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 94 7.011 11.406 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.308 8.919 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.712 10.530 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.632 9.188 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.932 8.763 -9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.974 11.615 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.577 10.601 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.268 10.324 -10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.757 11.879 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.386 12.134 -11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.949 12.724 -11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.475 11.217 -12.398 1.00 0.00 H new ATOM 1480 N GLY A 95 6.535 9.571 -5.318 1.00 0.00 N ATOM 1481 CA GLY A 95 6.369 9.681 -3.881 1.00 0.00 C ATOM 1482 C GLY A 95 6.255 8.339 -3.176 1.00 0.00 C ATOM 1483 O GLY A 95 5.620 8.243 -2.126 1.00 0.00 O ATOM 0 H GLY A 95 6.557 8.617 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.216 10.229 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.476 10.269 -3.671 1.00 0.00 H new ATOM 1487 N ALA A 96 6.874 7.302 -3.736 1.00 0.00 N ATOM 1488 CA ALA A 96 6.831 5.980 -3.124 1.00 0.00 C ATOM 1489 C ALA A 96 7.998 5.797 -2.164 1.00 0.00 C ATOM 1490 O ALA A 96 8.837 6.686 -2.017 1.00 0.00 O ATOM 1491 CB ALA A 96 6.826 4.888 -4.184 1.00 0.00 C ATOM 0 H ALA A 96 7.406 7.352 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 96 5.904 5.899 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.794 3.912 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.951 5.005 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.730 4.964 -4.789 1.00 0.00 H new ATOM 1497 N TYR A 97 8.043 4.647 -1.504 1.00 0.00 N ATOM 1498 CA TYR A 97 9.107 4.363 -0.550 1.00 0.00 C ATOM 1499 C TYR A 97 10.314 3.727 -1.231 1.00 0.00 C ATOM 1500 O TYR A 97 11.433 3.816 -0.728 1.00 0.00 O ATOM 1501 CB TYR A 97 8.579 3.458 0.571 1.00 0.00 C ATOM 1502 CG TYR A 97 9.645 2.986 1.534 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.402 3.894 2.264 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.891 1.631 1.717 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.375 3.466 3.147 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.860 1.194 2.598 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.599 2.114 3.310 1.00 0.00 C ATOM 1508 OH TYR A 97 12.566 1.684 4.189 1.00 0.00 O ATOM 0 H TYR A 97 7.358 3.899 -1.611 1.00 0.00 H new ATOM 0 HA TYR A 97 9.436 5.308 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.813 3.997 1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.096 2.589 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.227 4.952 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.314 0.907 1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.956 4.185 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.038 0.137 2.729 1.00 0.00 H new ATOM 0 HH TYR A 97 12.597 0.704 4.188 1.00 0.00 H new ATOM 1518 N GLU A 98 10.071 3.103 -2.382 1.00 0.00 N ATOM 1519 CA GLU A 98 11.124 2.444 -3.172 1.00 0.00 C ATOM 1520 C GLU A 98 10.556 1.297 -4.006 1.00 0.00 C ATOM 1521 O GLU A 98 11.201 0.832 -4.947 1.00 0.00 O ATOM 1522 CB GLU A 98 12.247 1.897 -2.282 1.00 0.00 C ATOM 1523 CG GLU A 98 11.750 1.058 -1.115 1.00 0.00 C ATOM 1524 CD GLU A 98 12.789 0.068 -0.626 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.626 0.454 0.215 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.765 -1.093 -1.085 1.00 0.00 O ATOM 0 H GLU A 98 9.142 3.037 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 98 11.535 3.207 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.920 1.293 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.831 2.732 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.466 1.716 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.852 0.518 -1.416 1.00 0.00 H new ATOM 1533 N PHE A 99 9.354 0.835 -3.655 1.00 0.00 N ATOM 1534 CA PHE A 99 8.708 -0.267 -4.370 1.00 0.00 C ATOM 1535 C PHE A 99 9.263 -1.609 -3.904 1.00 0.00 C ATOM 1536 O PHE A 99 10.419 -1.940 -4.168 1.00 0.00 O ATOM 1537 CB PHE A 99 8.898 -0.121 -5.884 1.00 0.00 C ATOM 1538 CG PHE A 99 7.697 -0.529 -6.688 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.638 0.347 -6.868 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.631 -1.784 -7.271 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.536 -0.022 -7.614 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.530 -2.159 -8.017 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.481 -1.277 -8.189 1.00 0.00 C ATOM 0 H PHE A 99 8.808 1.208 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 99 7.642 -0.230 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.141 0.917 -6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.752 -0.723 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.675 1.329 -6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.449 -2.477 -7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.718 0.670 -7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.490 -3.141 -8.465 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.620 -1.568 -8.772 1.00 0.00 H new ATOM 1553 N LEU A 100 8.430 -2.378 -3.209 1.00 0.00 N ATOM 1554 CA LEU A 100 8.831 -3.684 -2.701 1.00 0.00 C ATOM 1555 C LEU A 100 9.428 -4.548 -3.809 1.00 0.00 C ATOM 1556 O LEU A 100 8.704 -5.203 -4.559 1.00 0.00 O ATOM 1557 CB LEU A 100 7.628 -4.395 -2.076 1.00 0.00 C ATOM 1558 CG LEU A 100 7.936 -5.221 -0.826 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.172 -6.079 -1.044 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.121 -4.313 0.381 1.00 0.00 C ATOM 0 H LEU A 100 7.470 -2.117 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 100 9.596 -3.530 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.876 -3.648 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.185 -5.051 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 100 7.090 -5.881 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.375 -6.659 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.002 -6.756 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.026 -5.438 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.339 -4.918 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.948 -3.628 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.208 -3.742 0.550 1.00 0.00 H new ATOM 1572 N GLU A 101 10.754 -4.545 -3.905 1.00 0.00 N ATOM 1573 CA GLU A 101 11.449 -5.329 -4.919 1.00 0.00 C ATOM 1574 C GLU A 101 11.886 -6.677 -4.358 1.00 0.00 C ATOM 1575 O GLU A 101 11.953 -6.864 -3.143 1.00 0.00 O ATOM 1576 CB GLU A 101 12.664 -4.563 -5.443 1.00 0.00 C ATOM 1577 CG GLU A 101 12.312 -3.467 -6.436 1.00 0.00 C ATOM 1578 CD GLU A 101 12.504 -3.901 -7.876 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.585 -4.438 -8.194 1.00 0.00 O ATOM 1580 OE2 GLU A 101 11.573 -3.704 -8.684 1.00 0.00 O ATOM 0 H GLU A 101 11.368 -4.008 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 101 10.758 -5.505 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.195 -4.121 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.349 -5.266 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.275 -3.166 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.930 -2.591 -6.239 1.00 0.00 H new ATOM 1587 N LYS A 102 12.183 -7.616 -5.251 1.00 0.00 N ATOM 1588 CA LYS A 102 12.615 -8.948 -4.844 1.00 0.00 C ATOM 1589 C LYS A 102 11.541 -9.635 -4.000 1.00 0.00 C ATOM 1590 O LYS A 102 11.812 -10.102 -2.893 1.00 0.00 O ATOM 1591 CB LYS A 102 13.926 -8.863 -4.059 1.00 0.00 C ATOM 1592 CG LYS A 102 14.476 -10.219 -3.644 1.00 0.00 C ATOM 1593 CD LYS A 102 14.952 -10.211 -2.201 1.00 0.00 C ATOM 1594 CE LYS A 102 16.426 -9.850 -2.101 1.00 0.00 C ATOM 1595 NZ LYS A 102 16.933 -9.967 -0.706 1.00 0.00 N ATOM 0 H LYS A 102 12.132 -7.479 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 102 12.778 -9.542 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 102 14.671 -8.349 -4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.767 -8.256 -3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.705 -10.979 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.303 -10.493 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.362 -9.497 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.786 -11.192 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.005 -10.504 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.575 -8.831 -2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.941 -9.713 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.398 -9.325 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.815 -10.946 -0.375 1.00 0.00 H new ATOM 1609 N PRO A 103 10.301 -9.704 -4.514 1.00 0.00 N ATOM 1610 CA PRO A 103 9.185 -10.336 -3.804 1.00 0.00 C ATOM 1611 C PRO A 103 9.284 -11.857 -3.807 1.00 0.00 C ATOM 1612 O PRO A 103 9.028 -12.503 -4.823 1.00 0.00 O ATOM 1613 CB PRO A 103 7.962 -9.877 -4.596 1.00 0.00 C ATOM 1614 CG PRO A 103 8.471 -9.656 -5.978 1.00 0.00 C ATOM 1615 CD PRO A 103 9.888 -9.172 -5.828 1.00 0.00 C ATOM 0 HA PRO A 103 9.158 -10.057 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.174 -10.630 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.539 -8.963 -4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.433 -10.577 -6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.862 -8.922 -6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.526 -9.545 -6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.945 -8.084 -5.855 1.00 0.00 H new ATOM 1623 N PHE A 104 9.653 -12.425 -2.664 1.00 0.00 N ATOM 1624 CA PHE A 104 9.784 -13.871 -2.535 1.00 0.00 C ATOM 1625 C PHE A 104 8.440 -14.512 -2.206 1.00 0.00 C ATOM 1626 O PHE A 104 8.169 -15.647 -2.598 1.00 0.00 O ATOM 1627 CB PHE A 104 10.808 -14.218 -1.453 1.00 0.00 C ATOM 1628 CG PHE A 104 12.198 -14.421 -1.984 1.00 0.00 C ATOM 1629 CD1 PHE A 104 12.979 -13.336 -2.347 1.00 0.00 C ATOM 1630 CD2 PHE A 104 12.723 -15.695 -2.121 1.00 0.00 C ATOM 1631 CE1 PHE A 104 14.259 -13.518 -2.837 1.00 0.00 C ATOM 1632 CE2 PHE A 104 14.001 -15.885 -2.610 1.00 0.00 C ATOM 1633 CZ PHE A 104 14.770 -14.794 -2.969 1.00 0.00 C ATOM 0 H PHE A 104 9.867 -11.905 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 104 10.129 -14.266 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.825 -13.420 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.488 -15.125 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.583 -12.336 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.126 -16.551 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.858 -12.664 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.398 -16.884 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 104 15.769 -14.939 -3.352 1.00 0.00 H new ATOM 1643 N SER A 105 7.600 -13.776 -1.487 1.00 0.00 N ATOM 1644 CA SER A 105 6.283 -14.270 -1.105 1.00 0.00 C ATOM 1645 C SER A 105 5.497 -13.203 -0.351 1.00 0.00 C ATOM 1646 O SER A 105 4.398 -12.826 -0.756 1.00 0.00 O ATOM 1647 CB SER A 105 6.417 -15.527 -0.242 1.00 0.00 C ATOM 1648 OG SER A 105 5.147 -15.994 0.181 1.00 0.00 O ATOM 0 H SER A 105 7.808 -12.834 -1.157 1.00 0.00 H new ATOM 0 HA SER A 105 5.739 -14.519 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.925 -16.308 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.036 -15.310 0.628 1.00 0.00 H new ATOM 0 HG SER A 105 5.260 -16.798 0.729 1.00 0.00 H new ATOM 1654 N VAL A 106 6.072 -12.718 0.746 1.00 0.00 N ATOM 1655 CA VAL A 106 5.428 -11.690 1.559 1.00 0.00 C ATOM 1656 C VAL A 106 6.278 -11.318 2.773 1.00 0.00 C ATOM 1657 O VAL A 106 6.187 -10.202 3.284 1.00 0.00 O ATOM 1658 CB VAL A 106 4.031 -12.138 2.039 1.00 0.00 C ATOM 1659 CG1 VAL A 106 4.139 -13.317 2.997 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.294 -10.975 2.689 1.00 0.00 C ATOM 0 H VAL A 106 6.982 -13.020 1.093 1.00 0.00 H new ATOM 0 HA VAL A 106 5.320 -10.814 0.919 1.00 0.00 H new ATOM 0 HB VAL A 106 3.458 -12.464 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.142 -13.615 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.621 -14.154 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.732 -13.028 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.311 -11.308 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.865 -10.616 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.178 -10.168 1.966 1.00 0.00 H new ATOM 1670 N GLU A 107 7.107 -12.253 3.236 1.00 0.00 N ATOM 1671 CA GLU A 107 7.966 -12.005 4.388 1.00 0.00 C ATOM 1672 C GLU A 107 8.772 -10.724 4.200 1.00 0.00 C ATOM 1673 O GLU A 107 8.783 -9.852 5.070 1.00 0.00 O ATOM 1674 CB GLU A 107 8.906 -13.187 4.609 1.00 0.00 C ATOM 1675 CG GLU A 107 9.357 -13.344 6.051 1.00 0.00 C ATOM 1676 CD GLU A 107 10.510 -14.316 6.200 1.00 0.00 C ATOM 1677 OE1 GLU A 107 11.197 -14.581 5.191 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.727 -14.813 7.325 1.00 0.00 O ATOM 0 H GLU A 107 7.200 -13.185 2.831 1.00 0.00 H new ATOM 0 HA GLU A 107 7.331 -11.886 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.406 -14.102 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.783 -13.066 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.654 -12.371 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.517 -13.687 6.655 1.00 0.00 H new ATOM 1685 N ARG A 108 9.443 -10.612 3.056 1.00 0.00 N ATOM 1686 CA ARG A 108 10.245 -9.433 2.751 1.00 0.00 C ATOM 1687 C ARG A 108 9.390 -8.171 2.809 1.00 0.00 C ATOM 1688 O ARG A 108 9.834 -7.127 3.286 1.00 0.00 O ATOM 1689 CB ARG A 108 10.885 -9.569 1.367 1.00 0.00 C ATOM 1690 CG ARG A 108 12.295 -9.008 1.289 1.00 0.00 C ATOM 1691 CD ARG A 108 13.339 -10.070 1.597 1.00 0.00 C ATOM 1692 NE ARG A 108 13.250 -10.542 2.978 1.00 0.00 N ATOM 1693 CZ ARG A 108 12.633 -11.665 3.347 1.00 0.00 C ATOM 1694 NH1 ARG A 108 12.041 -12.441 2.445 1.00 0.00 N ATOM 1695 NH2 ARG A 108 12.608 -12.014 4.625 1.00 0.00 N ATOM 0 H ARG A 108 9.446 -11.324 2.326 1.00 0.00 H new ATOM 0 HA ARG A 108 11.034 -9.353 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.907 -10.623 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.259 -9.058 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.471 -8.602 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.398 -8.182 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.211 -10.912 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.334 -9.663 1.416 1.00 0.00 H new ATOM 0 HE ARG A 108 13.688 -9.976 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.056 -12.180 1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.572 -13.298 2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.060 -11.424 5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.137 -12.872 4.910 1.00 0.00 H new ATOM 1709 N PHE A 109 8.156 -8.282 2.328 1.00 0.00 N ATOM 1710 CA PHE A 109 7.226 -7.159 2.330 1.00 0.00 C ATOM 1711 C PHE A 109 6.968 -6.685 3.758 1.00 0.00 C ATOM 1712 O PHE A 109 6.697 -5.507 3.995 1.00 0.00 O ATOM 1713 CB PHE A 109 5.911 -7.567 1.653 1.00 0.00 C ATOM 1714 CG PHE A 109 4.768 -6.624 1.908 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.554 -5.537 1.078 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.908 -6.828 2.976 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.504 -4.670 1.308 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.856 -5.964 3.210 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.654 -4.884 2.376 1.00 0.00 C ATOM 0 H PHE A 109 7.776 -9.141 1.931 1.00 0.00 H new ATOM 0 HA PHE A 109 7.667 -6.334 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.076 -7.638 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.631 -8.562 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.215 -5.365 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.062 -7.672 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.347 -3.825 0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.192 -6.134 4.045 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.833 -4.207 2.558 1.00 0.00 H new ATOM 1729 N LEU A 110 7.054 -7.613 4.706 1.00 0.00 N ATOM 1730 CA LEU A 110 6.831 -7.296 6.110 1.00 0.00 C ATOM 1731 C LEU A 110 7.967 -6.445 6.666 1.00 0.00 C ATOM 1732 O LEU A 110 7.733 -5.447 7.348 1.00 0.00 O ATOM 1733 CB LEU A 110 6.697 -8.579 6.921 1.00 0.00 C ATOM 1734 CG LEU A 110 5.573 -8.575 7.957 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.120 -9.996 8.256 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.029 -7.876 9.229 1.00 0.00 C ATOM 0 H LEU A 110 7.277 -8.592 4.526 1.00 0.00 H new ATOM 0 HA LEU A 110 5.906 -6.724 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.535 -9.410 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.641 -8.768 7.432 1.00 0.00 H new ATOM 0 HG LEU A 110 4.725 -8.026 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.319 -9.975 8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.756 -10.462 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.960 -10.571 8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.218 -7.881 9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.891 -8.399 9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.305 -6.847 9.000 1.00 0.00 H new ATOM 1748 N LEU A 111 9.200 -6.848 6.371 1.00 0.00 N ATOM 1749 CA LEU A 111 10.378 -6.126 6.841 1.00 0.00 C ATOM 1750 C LEU A 111 10.272 -4.635 6.534 1.00 0.00 C ATOM 1751 O LEU A 111 10.604 -3.794 7.370 1.00 0.00 O ATOM 1752 CB LEU A 111 11.642 -6.696 6.203 1.00 0.00 C ATOM 1753 CG LEU A 111 12.153 -7.999 6.825 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.859 -9.180 5.913 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.646 -7.906 7.112 1.00 0.00 C ATOM 0 H LEU A 111 9.409 -7.672 5.808 1.00 0.00 H new ATOM 0 HA LEU A 111 10.434 -6.251 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.450 -6.868 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.432 -5.947 6.266 1.00 0.00 H new ATOM 0 HG LEU A 111 11.630 -8.155 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.230 -10.096 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.783 -9.261 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.353 -9.030 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.991 -8.841 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.185 -7.724 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.833 -7.087 7.806 1.00 0.00 H new ATOM 1767 N THR A 112 9.810 -4.314 5.331 1.00 0.00 N ATOM 1768 CA THR A 112 9.663 -2.926 4.911 1.00 0.00 C ATOM 1769 C THR A 112 8.537 -2.240 5.682 1.00 0.00 C ATOM 1770 O THR A 112 8.697 -1.122 6.173 1.00 0.00 O ATOM 1771 CB THR A 112 9.389 -2.859 3.406 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.487 -3.377 2.676 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.126 -1.456 2.902 1.00 0.00 C ATOM 0 H THR A 112 9.530 -4.998 4.628 1.00 0.00 H new ATOM 0 HA THR A 112 10.594 -2.402 5.128 1.00 0.00 H new ATOM 0 HB THR A 112 8.490 -3.455 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.450 -3.050 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.940 -1.484 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.254 -1.044 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 112 9.994 -0.828 3.104 1.00 0.00 H new ATOM 1781 N ILE A 113 7.395 -2.915 5.778 1.00 0.00 N ATOM 1782 CA ILE A 113 6.232 -2.377 6.481 1.00 0.00 C ATOM 1783 C ILE A 113 6.617 -1.769 7.828 1.00 0.00 C ATOM 1784 O ILE A 113 6.388 -0.584 8.069 1.00 0.00 O ATOM 1785 CB ILE A 113 5.162 -3.471 6.699 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.325 -3.653 5.430 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.266 -3.133 7.885 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.521 -2.427 5.056 1.00 0.00 C ATOM 0 H ILE A 113 7.249 -3.841 5.376 1.00 0.00 H new ATOM 0 HA ILE A 113 5.819 -1.589 5.851 1.00 0.00 H new ATOM 0 HB ILE A 113 5.673 -4.408 6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.986 -3.911 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.646 -4.494 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.523 -3.920 8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.872 -3.053 8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.762 -2.184 7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.953 -2.628 4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.835 -2.181 5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.195 -1.588 4.884 1.00 0.00 H new ATOM 1800 N LYS A 114 7.199 -2.586 8.701 1.00 0.00 N ATOM 1801 CA LYS A 114 7.610 -2.127 10.022 1.00 0.00 C ATOM 1802 C LYS A 114 8.349 -0.804 9.913 1.00 0.00 C ATOM 1803 O LYS A 114 7.974 0.187 10.540 1.00 0.00 O ATOM 1804 CB LYS A 114 8.498 -3.172 10.696 1.00 0.00 C ATOM 1805 CG LYS A 114 8.822 -2.855 12.147 1.00 0.00 C ATOM 1806 CD LYS A 114 10.060 -1.977 12.265 1.00 0.00 C ATOM 1807 CE LYS A 114 9.758 -0.680 12.996 1.00 0.00 C ATOM 1808 NZ LYS A 114 9.638 -0.886 14.466 1.00 0.00 N ATOM 0 H LYS A 114 7.396 -3.570 8.516 1.00 0.00 H new ATOM 0 HA LYS A 114 6.718 -1.982 10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.003 -4.142 10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.429 -3.260 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.973 -2.351 12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.980 -3.783 12.697 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.843 -2.520 12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.444 -1.753 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.548 0.043 12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.831 -0.254 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.432 0.023 14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.867 -1.556 14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.531 -1.268 14.837 1.00 0.00 H new ATOM 1822 N HIS A 115 9.400 -0.797 9.106 1.00 0.00 N ATOM 1823 CA HIS A 115 10.196 0.405 8.903 1.00 0.00 C ATOM 1824 C HIS A 115 9.343 1.525 8.313 1.00 0.00 C ATOM 1825 O HIS A 115 9.606 2.705 8.547 1.00 0.00 O ATOM 1826 CB HIS A 115 11.379 0.110 7.978 1.00 0.00 C ATOM 1827 CG HIS A 115 12.260 -0.997 8.470 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.628 -2.070 7.685 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.849 -1.193 9.673 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.403 -2.880 8.387 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.553 -2.369 9.595 1.00 0.00 N ATOM 0 H HIS A 115 9.722 -1.610 8.581 1.00 0.00 H new ATOM 0 HA HIS A 115 10.575 0.729 9.872 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.001 -0.149 6.989 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.976 1.015 7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.778 -0.545 10.534 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.839 -3.802 8.032 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.103 -2.781 10.349 1.00 0.00 H new ATOM 1840 N ALA A 116 8.319 1.151 7.551 1.00 0.00 N ATOM 1841 CA ALA A 116 7.432 2.130 6.936 1.00 0.00 C ATOM 1842 C ALA A 116 6.715 2.955 7.998 1.00 0.00 C ATOM 1843 O ALA A 116 6.510 4.158 7.832 1.00 0.00 O ATOM 1844 CB ALA A 116 6.423 1.437 6.034 1.00 0.00 C ATOM 0 H ALA A 116 8.084 0.180 7.346 1.00 0.00 H new ATOM 0 HA ALA A 116 8.037 2.805 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.768 2.181 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.949 0.893 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.828 0.739 6.623 1.00 0.00 H new ATOM 1850 N PHE A 117 6.342 2.303 9.094 1.00 0.00 N ATOM 1851 CA PHE A 117 5.652 2.976 10.187 1.00 0.00 C ATOM 1852 C PHE A 117 6.606 3.877 10.969 1.00 0.00 C ATOM 1853 O PHE A 117 6.173 4.755 11.713 1.00 0.00 O ATOM 1854 CB PHE A 117 5.015 1.948 11.127 1.00 0.00 C ATOM 1855 CG PHE A 117 3.711 1.395 10.625 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.787 2.216 9.998 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.408 0.051 10.777 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.589 1.710 9.537 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.209 -0.459 10.314 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.300 0.372 9.694 1.00 0.00 C ATOM 0 H PHE A 117 6.506 1.308 9.249 1.00 0.00 H new ATOM 0 HA PHE A 117 4.869 3.600 9.756 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.714 1.125 11.278 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.852 2.411 12.100 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.008 3.265 9.869 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.116 -0.605 11.262 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.878 2.363 9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.985 -1.508 10.438 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.363 -0.025 9.332 1.00 0.00 H new ATOM 1870 N GLU A 118 7.906 3.655 10.795 1.00 0.00 N ATOM 1871 CA GLU A 118 8.917 4.447 11.482 1.00 0.00 C ATOM 1872 C GLU A 118 8.761 5.935 11.176 1.00 0.00 C ATOM 1873 O GLU A 118 9.234 6.784 11.931 1.00 0.00 O ATOM 1874 CB GLU A 118 10.313 3.978 11.082 1.00 0.00 C ATOM 1875 CG GLU A 118 11.368 4.235 12.143 1.00 0.00 C ATOM 1876 CD GLU A 118 12.776 4.223 11.580 1.00 0.00 C ATOM 1877 OE1 GLU A 118 13.033 3.443 10.639 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.622 4.994 12.081 1.00 0.00 O ATOM 0 H GLU A 118 8.283 2.931 10.183 1.00 0.00 H new ATOM 0 HA GLU A 118 8.781 4.306 12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.280 2.910 10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.606 4.481 10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.177 5.199 12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.286 3.478 12.923 1.00 0.00 H new ATOM 1885 N GLU A 119 8.096 6.245 10.066 1.00 0.00 N ATOM 1886 CA GLU A 119 7.882 7.631 9.666 1.00 0.00 C ATOM 1887 C GLU A 119 6.521 8.135 10.139 1.00 0.00 C ATOM 1888 O GLU A 119 5.869 8.925 9.457 1.00 0.00 O ATOM 1889 CB GLU A 119 7.988 7.767 8.146 1.00 0.00 C ATOM 1890 CG GLU A 119 9.208 7.076 7.557 1.00 0.00 C ATOM 1891 CD GLU A 119 9.082 6.844 6.064 1.00 0.00 C ATOM 1892 OE1 GLU A 119 8.488 7.701 5.378 1.00 0.00 O ATOM 1893 OE2 GLU A 119 9.581 5.805 5.581 1.00 0.00 O ATOM 0 H GLU A 119 7.697 5.555 9.429 1.00 0.00 H new ATOM 0 HA GLU A 119 8.655 8.239 10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.090 7.352 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.019 8.825 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.094 7.680 7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.357 6.120 8.058 1.00 0.00 H new ATOM 1900 N TYR A 120 6.099 7.674 11.312 1.00 0.00 N ATOM 1901 CA TYR A 120 4.817 8.080 11.876 1.00 0.00 C ATOM 1902 C TYR A 120 4.954 8.401 13.361 1.00 0.00 C ATOM 1903 O TYR A 120 3.996 8.280 14.124 1.00 0.00 O ATOM 1904 CB TYR A 120 3.775 6.977 11.675 1.00 0.00 C ATOM 1905 CG TYR A 120 2.383 7.372 12.113 1.00 0.00 C ATOM 1906 CD1 TYR A 120 1.868 8.627 11.812 1.00 0.00 C ATOM 1907 CD2 TYR A 120 1.583 6.491 12.829 1.00 0.00 C ATOM 1908 CE1 TYR A 120 0.597 8.992 12.211 1.00 0.00 C ATOM 1909 CE2 TYR A 120 0.310 6.847 13.232 1.00 0.00 C ATOM 1910 CZ TYR A 120 -0.178 8.099 12.921 1.00 0.00 C ATOM 1911 OH TYR A 120 -1.445 8.457 13.320 1.00 0.00 O ATOM 0 H TYR A 120 6.626 7.019 11.890 1.00 0.00 H new ATOM 0 HA TYR A 120 4.488 8.980 11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 120 3.750 6.700 10.621 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.084 6.091 12.230 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.472 9.329 11.256 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.962 5.510 13.075 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.212 9.971 11.968 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.299 6.149 13.787 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.991 8.660 12.532 1.00 0.00 H new ATOM 1921 N SER A 121 6.153 8.809 13.766 1.00 0.00 N ATOM 1922 CA SER A 121 6.415 9.147 15.160 1.00 0.00 C ATOM 1923 C SER A 121 7.041 10.533 15.276 1.00 0.00 C ATOM 1924 O SER A 121 6.884 11.372 14.389 1.00 0.00 O ATOM 1925 CB SER A 121 7.338 8.105 15.794 1.00 0.00 C ATOM 1926 OG SER A 121 7.010 6.798 15.352 1.00 0.00 O ATOM 0 H SER A 121 6.958 8.913 13.148 1.00 0.00 H new ATOM 0 HA SER A 121 5.463 9.152 15.691 1.00 0.00 H new ATOM 0 HB2 SER A 121 8.374 8.329 15.540 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.258 8.156 16.880 1.00 0.00 H new ATOM 0 HG SER A 121 7.615 6.150 15.770 1.00 0.00 H new TER 1932 SER A 121