USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 MET CE :methyl -172:sc=-0.00104 (180deg=-0.162) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 MET CE :methyl 168:sc= -0.0945 (180deg=-0.46) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot -24:sc= 2.01 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 140:sc= 1.09 (180deg=-0.158) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.309 F(o=-1.5!,f=-0.31) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0619 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0.00264 X(o=0.0026,f=-0.16) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.387 K(o=0.39,f=-0.66) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.463 X(o=0.46,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 71 GLN : amide:sc= 0.126 K(o=0.13,f=-2.9!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0179 K(o=-0.018,f=-2.4!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.087 USER MOD Single : A 88 GLN : amide:sc= 0.862 K(o=0.86,f=-4.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.454 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -175:sc= -0.618 (180deg=-0.708) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.148 X(o=0.15,f=-0.079) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 16.956 3.406 10.283 1.00 0.00 N ATOM 2 CA GLN A 23 16.368 4.366 9.345 1.00 0.00 C ATOM 3 C GLN A 23 14.976 3.938 8.830 1.00 0.00 C ATOM 4 O GLN A 23 14.567 2.781 8.979 1.00 0.00 O ATOM 5 CB GLN A 23 17.357 4.648 8.194 1.00 0.00 C ATOM 6 CG GLN A 23 17.636 3.436 7.284 1.00 0.00 C ATOM 7 CD GLN A 23 18.639 3.727 6.163 1.00 0.00 C ATOM 8 OE1 GLN A 23 19.142 4.830 5.978 1.00 0.00 O ATOM 9 NE2 GLN A 23 18.976 2.738 5.359 1.00 0.00 N ATOM 0 HA GLN A 23 16.194 5.294 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.964 5.462 7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.300 4.994 8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 23 18.013 2.614 7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.698 3.101 6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.571 1.811 5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.642 2.899 4.603 1.00 0.00 H new ATOM 18 N ILE A 24 14.247 4.876 8.213 1.00 0.00 N ATOM 19 CA ILE A 24 12.914 4.641 7.626 1.00 0.00 C ATOM 20 C ILE A 24 12.918 3.686 6.424 1.00 0.00 C ATOM 21 O ILE A 24 13.910 3.541 5.709 1.00 0.00 O ATOM 22 CB ILE A 24 12.197 5.960 7.251 1.00 0.00 C ATOM 23 CG1 ILE A 24 13.083 6.973 6.479 1.00 0.00 C ATOM 24 CG2 ILE A 24 11.563 6.588 8.497 1.00 0.00 C ATOM 25 CD1 ILE A 24 12.386 8.289 6.086 1.00 0.00 C ATOM 0 H ILE A 24 14.569 5.838 8.104 1.00 0.00 H new ATOM 0 HA ILE A 24 12.354 4.148 8.420 1.00 0.00 H new ATOM 0 HB ILE A 24 11.411 5.694 6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.953 7.210 7.091 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.452 6.492 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.061 7.516 8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.837 5.896 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.339 6.800 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.089 8.928 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.533 8.071 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.042 8.801 6.985 1.00 0.00 H new ATOM 37 N ASN A 25 11.758 3.064 6.173 1.00 0.00 N ATOM 38 CA ASN A 25 11.569 1.987 5.192 1.00 0.00 C ATOM 39 C ASN A 25 11.214 2.528 3.789 1.00 0.00 C ATOM 40 O ASN A 25 10.149 2.268 3.232 1.00 0.00 O ATOM 41 CB ASN A 25 10.564 0.969 5.766 1.00 0.00 C ATOM 42 CG ASN A 25 10.860 0.574 7.207 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.095 0.857 8.120 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.988 -0.042 7.478 1.00 0.00 N ATOM 0 H ASN A 25 10.897 3.305 6.664 1.00 0.00 H new ATOM 0 HA ASN A 25 12.509 1.460 5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.560 1.390 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.569 0.074 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.220 -0.280 8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.632 -0.282 6.724 1.00 0.00 H new ATOM 51 N GLN A 26 12.053 3.446 3.321 1.00 0.00 N ATOM 52 CA GLN A 26 11.911 4.326 2.150 1.00 0.00 C ATOM 53 C GLN A 26 13.304 4.896 1.787 1.00 0.00 C ATOM 54 O GLN A 26 14.326 4.296 2.128 1.00 0.00 O ATOM 55 CB GLN A 26 10.801 5.373 2.401 1.00 0.00 C ATOM 56 CG GLN A 26 10.807 6.045 3.786 1.00 0.00 C ATOM 57 CD GLN A 26 9.536 5.817 4.618 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.035 4.601 4.728 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 9.015 6.728 5.245 1.00 0.00 N flip ATOM 0 H GLN A 26 12.940 3.615 3.795 1.00 0.00 H new ATOM 0 HA GLN A 26 11.572 3.781 1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.884 6.151 1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.834 4.890 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.664 5.676 4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.950 7.117 3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.388 7.675 5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.208 6.541 5.840 1.00 0.00 H new ATOM 68 N VAL A 27 13.369 6.000 1.040 1.00 0.00 N ATOM 69 CA VAL A 27 14.595 6.545 0.418 1.00 0.00 C ATOM 70 C VAL A 27 15.111 7.760 1.215 1.00 0.00 C ATOM 71 O VAL A 27 14.501 8.162 2.204 1.00 0.00 O ATOM 72 CB VAL A 27 14.320 6.923 -1.068 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.582 6.965 -1.946 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.331 5.971 -1.762 1.00 0.00 C ATOM 0 H VAL A 27 12.544 6.565 0.840 1.00 0.00 H new ATOM 0 HA VAL A 27 15.371 5.780 0.437 1.00 0.00 H new ATOM 0 HB VAL A 27 13.895 7.924 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.307 7.235 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.277 7.705 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.058 5.984 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.183 6.289 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.732 4.957 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.377 5.991 -1.236 1.00 0.00 H new ATOM 84 N ARG A 28 16.304 8.245 0.845 1.00 0.00 N ATOM 85 CA ARG A 28 16.997 9.500 1.202 1.00 0.00 C ATOM 86 C ARG A 28 18.082 9.740 0.117 1.00 0.00 C ATOM 87 O ARG A 28 18.730 8.770 -0.280 1.00 0.00 O ATOM 88 CB ARG A 28 17.631 9.443 2.614 1.00 0.00 C ATOM 89 CG ARG A 28 18.391 10.753 2.921 1.00 0.00 C ATOM 90 CD ARG A 28 18.909 10.931 4.347 1.00 0.00 C ATOM 91 NE ARG A 28 19.938 9.933 4.704 1.00 0.00 N ATOM 92 CZ ARG A 28 20.584 9.847 5.856 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.380 10.689 6.830 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.457 8.902 6.054 1.00 0.00 N ATOM 0 H ARG A 28 16.883 7.700 0.207 1.00 0.00 H new ATOM 0 HA ARG A 28 16.280 10.321 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.854 9.283 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.314 8.596 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.240 10.821 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.731 11.590 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.325 11.932 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.075 10.854 5.045 1.00 0.00 H new ATOM 0 HE ARG A 28 20.174 9.242 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.704 11.445 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.896 10.592 7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.647 8.221 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.951 8.842 6.944 1.00 0.00 H new ATOM 108 N PRO A 29 18.285 10.977 -0.382 1.00 0.00 N ATOM 109 CA PRO A 29 19.146 11.245 -1.539 1.00 0.00 C ATOM 110 C PRO A 29 20.542 11.785 -1.182 1.00 0.00 C ATOM 111 O PRO A 29 20.804 12.217 -0.056 1.00 0.00 O ATOM 112 CB PRO A 29 18.364 12.301 -2.323 1.00 0.00 C ATOM 113 CG PRO A 29 17.757 13.155 -1.216 1.00 0.00 C ATOM 114 CD PRO A 29 17.513 12.174 -0.074 1.00 0.00 C ATOM 0 HA PRO A 29 19.351 10.324 -2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.013 12.885 -2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.598 11.852 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.433 13.955 -0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.829 13.626 -1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.826 12.602 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.452 11.939 0.015 1.00 0.00 H new ATOM 122 N LYS A 30 21.420 11.813 -2.192 1.00 0.00 N ATOM 123 CA LYS A 30 22.717 12.516 -2.169 1.00 0.00 C ATOM 124 C LYS A 30 22.467 13.996 -2.502 1.00 0.00 C ATOM 125 O LYS A 30 21.452 14.311 -3.124 1.00 0.00 O ATOM 126 CB LYS A 30 23.672 11.807 -3.153 1.00 0.00 C ATOM 127 CG LYS A 30 25.151 12.177 -2.957 1.00 0.00 C ATOM 128 CD LYS A 30 26.038 11.434 -3.967 1.00 0.00 C ATOM 129 CE LYS A 30 27.514 11.793 -3.747 1.00 0.00 C ATOM 130 NZ LYS A 30 28.404 11.071 -4.697 1.00 0.00 N ATOM 0 H LYS A 30 21.246 11.334 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 30 23.194 12.486 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.559 10.729 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.377 12.054 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.280 13.253 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.461 11.929 -1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.899 10.358 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.741 11.695 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.649 12.868 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.799 11.549 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.393 11.339 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.294 10.045 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.148 11.324 -5.673 1.00 0.00 H new ATOM 144 N LEU A 31 23.368 14.914 -2.149 1.00 0.00 N ATOM 145 CA LEU A 31 23.147 16.367 -2.319 1.00 0.00 C ATOM 146 C LEU A 31 22.742 16.804 -3.751 1.00 0.00 C ATOM 147 O LEU A 31 21.816 17.611 -3.864 1.00 0.00 O ATOM 148 CB LEU A 31 24.360 17.166 -1.792 1.00 0.00 C ATOM 149 CG LEU A 31 24.703 16.959 -0.302 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.901 17.832 0.073 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.542 17.314 0.631 1.00 0.00 C ATOM 0 H LEU A 31 24.272 14.681 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 31 22.273 16.605 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.233 16.899 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.173 18.227 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 31 24.926 15.899 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.143 17.685 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.759 17.554 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.656 18.880 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.843 17.148 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.273 18.361 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.683 16.685 0.398 1.00 0.00 H new ATOM 163 N PRO A 32 23.302 16.247 -4.850 1.00 0.00 N ATOM 164 CA PRO A 32 22.865 16.582 -6.213 1.00 0.00 C ATOM 165 C PRO A 32 21.425 16.152 -6.534 1.00 0.00 C ATOM 166 O PRO A 32 20.745 16.814 -7.312 1.00 0.00 O ATOM 167 CB PRO A 32 23.869 15.900 -7.152 1.00 0.00 C ATOM 168 CG PRO A 32 25.115 15.742 -6.287 1.00 0.00 C ATOM 169 CD PRO A 32 24.509 15.432 -4.924 1.00 0.00 C ATOM 0 HA PRO A 32 22.849 17.665 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.499 14.937 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.068 16.506 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 32 25.759 14.937 -6.641 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.719 16.649 -6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.275 14.372 -4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.201 15.679 -4.119 1.00 0.00 H new ATOM 177 N LEU A 33 20.942 15.070 -5.911 1.00 0.00 N ATOM 178 CA LEU A 33 19.567 14.568 -6.058 1.00 0.00 C ATOM 179 C LEU A 33 18.589 15.340 -5.153 1.00 0.00 C ATOM 180 O LEU A 33 17.470 15.649 -5.560 1.00 0.00 O ATOM 181 CB LEU A 33 19.550 13.054 -5.760 1.00 0.00 C ATOM 182 CG LEU A 33 19.936 12.146 -6.941 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.334 12.412 -7.506 1.00 0.00 C ATOM 184 CD2 LEU A 33 19.886 10.684 -6.500 1.00 0.00 C ATOM 0 H LEU A 33 21.507 14.506 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 33 19.231 14.729 -7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.232 12.856 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.551 12.778 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 33 19.215 12.367 -7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.527 11.730 -8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.393 13.441 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.078 12.254 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.160 10.042 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.586 10.527 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.877 10.438 -6.169 1.00 0.00 H new ATOM 196 N LEU A 34 19.037 15.716 -3.949 1.00 0.00 N ATOM 197 CA LEU A 34 18.291 16.545 -2.991 1.00 0.00 C ATOM 198 C LEU A 34 17.973 17.918 -3.579 1.00 0.00 C ATOM 199 O LEU A 34 16.826 18.346 -3.488 1.00 0.00 O ATOM 200 CB LEU A 34 19.148 16.643 -1.699 1.00 0.00 C ATOM 201 CG LEU A 34 18.490 17.213 -0.419 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.266 16.749 0.814 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.485 18.742 -0.397 1.00 0.00 C ATOM 0 H LEU A 34 19.957 15.444 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 34 17.327 16.093 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.514 15.643 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.020 17.257 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 34 17.462 16.850 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.798 17.153 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.259 15.660 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.295 17.102 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.013 19.091 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.510 19.110 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.929 19.116 -1.256 1.00 0.00 H new ATOM 215 N LYS A 35 18.935 18.597 -4.219 1.00 0.00 N ATOM 216 CA LYS A 35 18.752 20.004 -4.633 1.00 0.00 C ATOM 217 C LYS A 35 17.762 20.208 -5.785 1.00 0.00 C ATOM 218 O LYS A 35 17.081 21.231 -5.828 1.00 0.00 O ATOM 219 CB LYS A 35 20.078 20.725 -4.770 1.00 0.00 C ATOM 220 CG LYS A 35 21.012 20.247 -5.881 1.00 0.00 C ATOM 221 CD LYS A 35 22.386 20.730 -5.427 1.00 0.00 C ATOM 222 CE LYS A 35 23.450 20.602 -6.527 1.00 0.00 C ATOM 223 NZ LYS A 35 24.767 21.140 -6.083 1.00 0.00 N ATOM 0 H LYS A 35 19.844 18.202 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 35 18.237 20.505 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.874 21.784 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.609 20.643 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.984 19.163 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.737 20.671 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.316 21.772 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.699 20.156 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.560 19.554 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.120 21.137 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.461 21.037 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.667 22.146 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 25.094 20.613 -5.248 1.00 0.00 H new ATOM 237 N ILE A 36 17.588 19.184 -6.629 1.00 0.00 N ATOM 238 CA ILE A 36 16.523 19.114 -7.651 1.00 0.00 C ATOM 239 C ILE A 36 15.161 19.225 -6.953 1.00 0.00 C ATOM 240 O ILE A 36 14.365 20.111 -7.243 1.00 0.00 O ATOM 241 CB ILE A 36 16.619 17.776 -8.433 1.00 0.00 C ATOM 242 CG1 ILE A 36 17.966 17.648 -9.173 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.475 17.591 -9.447 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.256 16.211 -9.620 1.00 0.00 C ATOM 0 H ILE A 36 18.192 18.362 -6.625 1.00 0.00 H new ATOM 0 HA ILE A 36 16.639 19.933 -8.361 1.00 0.00 H new ATOM 0 HB ILE A 36 16.537 16.993 -7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 36 17.962 18.302 -10.045 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.769 17.991 -8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.596 16.638 -9.962 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.519 17.601 -8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.499 18.403 -10.174 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.216 16.177 -10.136 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.289 15.558 -8.748 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.469 15.874 -10.295 1.00 0.00 H new ATOM 256 N LEU A 37 14.918 18.356 -5.969 1.00 0.00 N ATOM 257 CA LEU A 37 13.666 18.314 -5.211 1.00 0.00 C ATOM 258 C LEU A 37 13.513 19.523 -4.265 1.00 0.00 C ATOM 259 O LEU A 37 12.409 20.036 -4.088 1.00 0.00 O ATOM 260 CB LEU A 37 13.529 16.886 -4.620 1.00 0.00 C ATOM 261 CG LEU A 37 13.186 15.889 -5.760 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.504 14.446 -5.400 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.707 15.934 -6.157 1.00 0.00 C ATOM 0 H LEU A 37 15.595 17.653 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 37 12.786 18.456 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.458 16.592 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.749 16.868 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 37 13.812 16.213 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.243 13.797 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.568 14.351 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.929 14.155 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.523 15.217 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.091 15.680 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.453 16.936 -6.502 1.00 0.00 H new ATOM 275 N HIS A 38 14.613 20.075 -3.745 1.00 0.00 N ATOM 276 CA HIS A 38 14.630 21.320 -2.957 1.00 0.00 C ATOM 277 C HIS A 38 14.220 22.553 -3.774 1.00 0.00 C ATOM 278 O HIS A 38 13.517 23.417 -3.250 1.00 0.00 O ATOM 279 CB HIS A 38 16.018 21.520 -2.323 1.00 0.00 C ATOM 280 CG HIS A 38 15.974 21.703 -0.830 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.485 22.791 -0.116 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.445 20.801 0.045 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.240 22.522 1.180 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.617 21.336 1.305 1.00 0.00 N ATOM 0 H HIS A 38 15.539 19.663 -3.860 1.00 0.00 H new ATOM 0 HA HIS A 38 13.882 21.214 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.644 20.659 -2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.493 22.391 -2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.983 19.856 -0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.506 23.168 2.004 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.322 20.906 2.182 1.00 0.00 H new ATOM 292 N ALA A 39 14.556 22.605 -5.071 1.00 0.00 N ATOM 293 CA ALA A 39 14.052 23.643 -5.981 1.00 0.00 C ATOM 294 C ALA A 39 12.512 23.632 -6.117 1.00 0.00 C ATOM 295 O ALA A 39 11.911 24.659 -6.443 1.00 0.00 O ATOM 296 CB ALA A 39 14.716 23.484 -7.354 1.00 0.00 C ATOM 0 H ALA A 39 15.181 21.933 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 39 14.312 24.610 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.343 24.253 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.796 23.585 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.482 22.500 -7.760 1.00 0.00 H new ATOM 302 N ALA A 40 11.874 22.491 -5.822 1.00 0.00 N ATOM 303 CA ALA A 40 10.424 22.314 -5.734 1.00 0.00 C ATOM 304 C ALA A 40 9.895 22.259 -4.281 1.00 0.00 C ATOM 305 O ALA A 40 8.825 21.699 -4.028 1.00 0.00 O ATOM 306 CB ALA A 40 10.042 21.091 -6.572 1.00 0.00 C ATOM 0 H ALA A 40 12.382 21.628 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 40 9.931 23.195 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.964 20.938 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.338 21.253 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.552 20.210 -6.183 1.00 0.00 H new ATOM 312 N GLY A 41 10.635 22.819 -3.315 1.00 0.00 N ATOM 313 CA GLY A 41 10.195 22.991 -1.922 1.00 0.00 C ATOM 314 C GLY A 41 10.172 21.715 -1.068 1.00 0.00 C ATOM 315 O GLY A 41 9.553 21.712 0.000 1.00 0.00 O ATOM 0 H GLY A 41 11.577 23.173 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.850 23.717 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.193 23.421 -1.927 1.00 0.00 H new ATOM 319 N ALA A 42 10.808 20.631 -1.525 1.00 0.00 N ATOM 320 CA ALA A 42 10.845 19.343 -0.837 1.00 0.00 C ATOM 321 C ALA A 42 11.900 19.290 0.296 1.00 0.00 C ATOM 322 O ALA A 42 12.471 20.299 0.709 1.00 0.00 O ATOM 323 CB ALA A 42 11.158 18.281 -1.902 1.00 0.00 C ATOM 0 H ALA A 42 11.323 20.629 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 42 9.884 19.168 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.196 17.297 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.379 18.290 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.121 18.501 -2.363 1.00 0.00 H new ATOM 329 N GLN A 43 12.202 18.064 0.738 1.00 0.00 N ATOM 330 CA GLN A 43 13.321 17.685 1.623 1.00 0.00 C ATOM 331 C GLN A 43 14.076 16.492 1.003 1.00 0.00 C ATOM 332 O GLN A 43 14.313 15.455 1.624 1.00 0.00 O ATOM 333 CB GLN A 43 12.835 17.441 3.065 1.00 0.00 C ATOM 334 CG GLN A 43 12.233 18.695 3.719 1.00 0.00 C ATOM 335 CD GLN A 43 11.869 18.451 5.183 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.602 18.795 6.103 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.734 17.842 5.464 1.00 0.00 N ATOM 0 H GLN A 43 11.639 17.256 0.473 1.00 0.00 H new ATOM 0 HA GLN A 43 14.032 18.507 1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.088 16.647 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.671 17.089 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.946 19.517 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.343 19.000 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.112 17.549 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.478 17.664 6.435 1.00 0.00 H new ATOM 346 N GLY A 44 14.395 16.629 -0.289 1.00 0.00 N ATOM 347 CA GLY A 44 15.047 15.618 -1.107 1.00 0.00 C ATOM 348 C GLY A 44 14.139 14.440 -1.447 1.00 0.00 C ATOM 349 O GLY A 44 13.199 14.577 -2.216 1.00 0.00 O ATOM 0 H GLY A 44 14.195 17.484 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.396 16.078 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.928 15.249 -0.583 1.00 0.00 H new ATOM 353 N GLU A 45 14.460 13.276 -0.887 1.00 0.00 N ATOM 354 CA GLU A 45 13.779 11.985 -1.092 1.00 0.00 C ATOM 355 C GLU A 45 13.641 11.205 0.221 1.00 0.00 C ATOM 356 O GLU A 45 13.448 9.998 0.196 1.00 0.00 O ATOM 357 CB GLU A 45 14.489 11.127 -2.165 1.00 0.00 C ATOM 358 CG GLU A 45 14.504 11.754 -3.557 1.00 0.00 C ATOM 359 CD GLU A 45 15.006 10.740 -4.605 1.00 0.00 C ATOM 360 OE1 GLU A 45 14.212 9.867 -5.031 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.194 10.810 -5.002 1.00 0.00 O ATOM 0 H GLU A 45 15.245 13.196 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 45 12.777 12.211 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.516 10.947 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.998 10.156 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.501 12.091 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.147 12.634 -3.558 1.00 0.00 H new ATOM 368 N MET A 46 13.804 11.867 1.373 1.00 0.00 N ATOM 369 CA MET A 46 13.848 11.254 2.716 1.00 0.00 C ATOM 370 C MET A 46 12.457 10.834 3.240 1.00 0.00 C ATOM 371 O MET A 46 12.020 11.209 4.329 1.00 0.00 O ATOM 372 CB MET A 46 14.671 12.162 3.625 1.00 0.00 C ATOM 373 CG MET A 46 15.012 11.572 5.001 1.00 0.00 C ATOM 374 SD MET A 46 16.084 12.638 6.002 1.00 0.00 S ATOM 375 CE MET A 46 16.167 11.637 7.514 1.00 0.00 C ATOM 0 H MET A 46 13.913 12.881 1.402 1.00 0.00 H new ATOM 0 HA MET A 46 14.358 10.291 2.683 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.601 12.414 3.115 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.125 13.094 3.772 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.087 11.386 5.547 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.500 10.607 4.863 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.792 12.142 8.251 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.163 11.505 7.918 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.596 10.662 7.282 1.00 0.00 H new ATOM 385 N PHE A 47 11.731 10.109 2.389 1.00 0.00 N ATOM 386 CA PHE A 47 10.312 9.749 2.507 1.00 0.00 C ATOM 387 C PHE A 47 9.860 8.757 1.409 1.00 0.00 C ATOM 388 O PHE A 47 10.614 8.421 0.495 1.00 0.00 O ATOM 389 CB PHE A 47 9.475 11.040 2.497 1.00 0.00 C ATOM 390 CG PHE A 47 9.951 12.116 1.534 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.871 11.915 0.144 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.534 13.296 2.034 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.322 12.912 -0.738 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.007 14.279 1.148 1.00 0.00 C ATOM 395 CZ PHE A 47 10.881 14.094 -0.233 1.00 0.00 C ATOM 0 H PHE A 47 12.145 9.729 1.538 1.00 0.00 H new ATOM 0 HA PHE A 47 10.158 9.224 3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.445 10.784 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.466 11.456 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.463 10.994 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.618 13.446 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.238 12.767 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.468 15.177 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.215 14.864 -0.912 1.00 0.00 H new ATOM 405 N THR A 48 8.631 8.245 1.528 1.00 0.00 N ATOM 406 CA THR A 48 8.030 7.161 0.713 1.00 0.00 C ATOM 407 C THR A 48 7.739 7.558 -0.748 1.00 0.00 C ATOM 408 O THR A 48 7.712 8.739 -1.105 1.00 0.00 O ATOM 409 CB THR A 48 6.736 6.647 1.402 1.00 0.00 C ATOM 410 OG1 THR A 48 6.800 6.850 2.800 1.00 0.00 O ATOM 411 CG2 THR A 48 6.491 5.146 1.214 1.00 0.00 C ATOM 0 H THR A 48 7.983 8.590 2.236 1.00 0.00 H new ATOM 0 HA THR A 48 8.775 6.367 0.658 1.00 0.00 H new ATOM 0 HB THR A 48 5.932 7.212 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.976 6.522 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.570 4.861 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.402 4.922 0.151 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.326 4.586 1.634 1.00 0.00 H new ATOM 419 N VAL A 49 7.445 6.554 -1.592 1.00 0.00 N ATOM 420 CA VAL A 49 7.147 6.670 -3.043 1.00 0.00 C ATOM 421 C VAL A 49 6.088 7.744 -3.337 1.00 0.00 C ATOM 422 O VAL A 49 6.258 8.581 -4.225 1.00 0.00 O ATOM 423 CB VAL A 49 6.701 5.298 -3.610 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.296 5.354 -5.088 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.824 4.259 -3.463 1.00 0.00 C ATOM 0 H VAL A 49 7.405 5.587 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 49 8.066 6.983 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 49 5.825 5.013 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.995 4.361 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.463 6.046 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.142 5.695 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.490 3.303 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.705 4.596 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.074 4.140 -2.409 1.00 0.00 H new ATOM 435 N LYS A 50 5.027 7.777 -2.526 1.00 0.00 N ATOM 436 CA LYS A 50 3.930 8.748 -2.674 1.00 0.00 C ATOM 437 C LYS A 50 4.338 10.198 -2.403 1.00 0.00 C ATOM 438 O LYS A 50 3.791 11.111 -3.017 1.00 0.00 O ATOM 439 CB LYS A 50 2.708 8.310 -1.842 1.00 0.00 C ATOM 440 CG LYS A 50 2.999 8.204 -0.334 1.00 0.00 C ATOM 441 CD LYS A 50 1.754 7.796 0.462 1.00 0.00 C ATOM 442 CE LYS A 50 2.133 7.600 1.937 1.00 0.00 C ATOM 443 NZ LYS A 50 0.940 7.304 2.777 1.00 0.00 N ATOM 0 H LYS A 50 4.901 7.132 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 50 3.648 8.743 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.898 9.022 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.358 7.344 -2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.791 7.474 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.366 9.162 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.984 8.562 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.336 6.874 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.850 6.784 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.626 8.498 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.235 7.178 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.267 8.094 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.484 6.433 2.438 1.00 0.00 H new ATOM 457 N GLU A 51 5.320 10.413 -1.528 1.00 0.00 N ATOM 458 CA GLU A 51 5.873 11.740 -1.255 1.00 0.00 C ATOM 459 C GLU A 51 6.889 12.156 -2.330 1.00 0.00 C ATOM 460 O GLU A 51 6.756 13.247 -2.878 1.00 0.00 O ATOM 461 CB GLU A 51 6.469 11.783 0.162 1.00 0.00 C ATOM 462 CG GLU A 51 5.460 11.508 1.286 1.00 0.00 C ATOM 463 CD GLU A 51 4.311 12.537 1.316 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.486 13.632 1.904 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.215 12.249 0.776 1.00 0.00 O ATOM 0 H GLU A 51 5.757 9.668 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 51 5.066 12.472 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.274 11.051 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.917 12.764 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.044 10.508 1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.978 11.519 2.245 1.00 0.00 H new ATOM 472 N VAL A 52 7.838 11.289 -2.732 1.00 0.00 N ATOM 473 CA VAL A 52 8.774 11.622 -3.842 1.00 0.00 C ATOM 474 C VAL A 52 8.051 11.988 -5.129 1.00 0.00 C ATOM 475 O VAL A 52 8.377 12.988 -5.763 1.00 0.00 O ATOM 476 CB VAL A 52 9.800 10.525 -4.150 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.854 10.364 -3.055 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.218 9.142 -4.367 1.00 0.00 C ATOM 0 H VAL A 52 7.982 10.368 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 52 9.315 12.491 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 52 10.237 10.888 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.550 9.572 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.399 11.300 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.366 10.104 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.023 8.438 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.686 8.826 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.527 9.166 -5.209 1.00 0.00 H new ATOM 488 N MET A 53 7.036 11.209 -5.488 1.00 0.00 N ATOM 489 CA MET A 53 6.271 11.444 -6.721 1.00 0.00 C ATOM 490 C MET A 53 5.416 12.725 -6.656 1.00 0.00 C ATOM 491 O MET A 53 5.215 13.378 -7.678 1.00 0.00 O ATOM 492 CB MET A 53 5.469 10.191 -7.105 1.00 0.00 C ATOM 493 CG MET A 53 4.148 10.025 -6.349 1.00 0.00 C ATOM 494 SD MET A 53 3.300 8.447 -6.640 1.00 0.00 S ATOM 495 CE MET A 53 2.911 8.597 -8.406 1.00 0.00 C ATOM 0 H MET A 53 6.719 10.406 -4.945 1.00 0.00 H new ATOM 0 HA MET A 53 6.981 11.628 -7.527 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.259 10.223 -8.174 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.087 9.311 -6.928 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.341 10.126 -5.281 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.479 10.838 -6.631 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.265 7.772 -8.708 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.400 9.543 -8.587 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.834 8.566 -8.986 1.00 0.00 H new ATOM 505 N HIS A 54 4.981 13.132 -5.458 1.00 0.00 N ATOM 506 CA HIS A 54 4.308 14.411 -5.191 1.00 0.00 C ATOM 507 C HIS A 54 5.245 15.600 -5.487 1.00 0.00 C ATOM 508 O HIS A 54 4.959 16.412 -6.372 1.00 0.00 O ATOM 509 CB HIS A 54 3.779 14.386 -3.741 1.00 0.00 C ATOM 510 CG HIS A 54 3.779 15.721 -3.045 1.00 0.00 C ATOM 511 ND1 HIS A 54 3.036 16.840 -3.426 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.616 16.063 -2.024 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.452 17.833 -2.622 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.389 17.394 -1.765 1.00 0.00 N ATOM 0 H HIS A 54 5.091 12.562 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 54 3.456 14.547 -5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.761 13.996 -3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.384 13.690 -3.161 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.318 15.416 -1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.083 18.847 -2.660 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.852 17.951 -1.047 1.00 0.00 H new ATOM 522 N TYR A 55 6.405 15.658 -4.822 1.00 0.00 N ATOM 523 CA TYR A 55 7.452 16.651 -5.082 1.00 0.00 C ATOM 524 C TYR A 55 7.946 16.659 -6.542 1.00 0.00 C ATOM 525 O TYR A 55 8.190 17.732 -7.092 1.00 0.00 O ATOM 526 CB TYR A 55 8.626 16.417 -4.125 1.00 0.00 C ATOM 527 CG TYR A 55 8.284 16.564 -2.655 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.883 17.809 -2.137 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.396 15.459 -1.796 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.563 17.948 -0.772 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.076 15.589 -0.430 1.00 0.00 C ATOM 532 CZ TYR A 55 7.660 16.833 0.088 1.00 0.00 C ATOM 533 OH TYR A 55 7.375 16.955 1.415 1.00 0.00 O ATOM 0 H TYR A 55 6.646 15.005 -4.076 1.00 0.00 H new ATOM 0 HA TYR A 55 7.009 17.632 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.021 15.415 -4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.423 17.119 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.820 18.666 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.728 14.507 -2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.245 18.905 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.150 14.732 0.223 1.00 0.00 H new ATOM 0 HH TYR A 55 7.493 16.088 1.856 1.00 0.00 H new ATOM 543 N LEU A 56 8.050 15.498 -7.202 1.00 0.00 N ATOM 544 CA LEU A 56 8.448 15.404 -8.615 1.00 0.00 C ATOM 545 C LEU A 56 7.352 15.962 -9.549 1.00 0.00 C ATOM 546 O LEU A 56 7.659 16.742 -10.449 1.00 0.00 O ATOM 547 CB LEU A 56 8.858 13.944 -8.914 1.00 0.00 C ATOM 548 CG LEU A 56 9.848 13.747 -10.081 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.362 12.306 -10.075 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.232 13.994 -11.455 1.00 0.00 C ATOM 0 H LEU A 56 7.860 14.594 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 56 9.315 16.034 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.300 13.519 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.956 13.370 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 56 10.642 14.477 -9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.061 12.166 -10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.868 12.104 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.523 11.620 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.987 13.837 -12.226 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.404 13.303 -11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.865 15.019 -11.510 1.00 0.00 H new ATOM 562 N GLY A 57 6.072 15.672 -9.290 1.00 0.00 N ATOM 563 CA GLY A 57 4.944 16.256 -10.030 1.00 0.00 C ATOM 564 C GLY A 57 4.920 17.791 -9.970 1.00 0.00 C ATOM 565 O GLY A 57 4.873 18.460 -11.008 1.00 0.00 O ATOM 0 H GLY A 57 5.786 15.022 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.996 15.939 -11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.010 15.867 -9.625 1.00 0.00 H new ATOM 569 N GLN A 58 5.081 18.368 -8.771 1.00 0.00 N ATOM 570 CA GLN A 58 5.151 19.827 -8.616 1.00 0.00 C ATOM 571 C GLN A 58 6.457 20.420 -9.178 1.00 0.00 C ATOM 572 O GLN A 58 6.421 21.525 -9.714 1.00 0.00 O ATOM 573 CB GLN A 58 4.775 20.278 -7.193 1.00 0.00 C ATOM 574 CG GLN A 58 5.872 20.119 -6.131 1.00 0.00 C ATOM 575 CD GLN A 58 5.383 20.352 -4.696 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.199 20.456 -4.402 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.277 20.434 -3.732 1.00 0.00 N ATOM 0 H GLN A 58 5.165 17.848 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 58 4.378 20.265 -9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.481 21.327 -7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.900 19.713 -6.872 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.292 19.116 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.679 20.819 -6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.270 20.351 -3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.976 20.581 -2.769 1.00 0.00 H new ATOM 586 N TYR A 59 7.589 19.699 -9.142 1.00 0.00 N ATOM 587 CA TYR A 59 8.811 20.104 -9.857 1.00 0.00 C ATOM 588 C TYR A 59 8.546 20.245 -11.358 1.00 0.00 C ATOM 589 O TYR A 59 8.801 21.315 -11.906 1.00 0.00 O ATOM 590 CB TYR A 59 9.965 19.119 -9.601 1.00 0.00 C ATOM 591 CG TYR A 59 11.266 19.460 -10.314 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.472 19.051 -11.647 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.288 20.155 -9.641 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.711 19.275 -12.281 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.526 20.379 -10.270 1.00 0.00 C ATOM 596 CZ TYR A 59 13.751 19.915 -11.578 1.00 0.00 C ATOM 597 OH TYR A 59 14.962 20.131 -12.152 1.00 0.00 O ATOM 0 H TYR A 59 7.684 18.827 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 59 9.110 21.077 -9.468 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.156 19.075 -8.529 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.649 18.123 -9.909 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.674 18.562 -12.187 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.121 20.518 -8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.863 18.957 -13.302 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.307 20.910 -9.746 1.00 0.00 H new ATOM 0 HH TYR A 59 15.103 19.482 -12.873 1.00 0.00 H new ATOM 607 N ILE A 60 7.968 19.228 -12.016 1.00 0.00 N ATOM 608 CA ILE A 60 7.585 19.309 -13.440 1.00 0.00 C ATOM 609 C ILE A 60 6.699 20.535 -13.667 1.00 0.00 C ATOM 610 O ILE A 60 6.955 21.304 -14.590 1.00 0.00 O ATOM 611 CB ILE A 60 6.842 18.036 -13.906 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.712 16.766 -13.827 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.318 18.192 -15.350 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.829 15.518 -13.695 1.00 0.00 C ATOM 0 H ILE A 60 7.753 18.330 -11.582 1.00 0.00 H new ATOM 0 HA ILE A 60 8.499 19.397 -14.027 1.00 0.00 H new ATOM 0 HB ILE A 60 6.006 17.917 -13.216 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.333 16.687 -14.720 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.387 16.833 -12.974 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.800 17.281 -15.650 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.628 19.034 -15.398 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.156 18.371 -16.024 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.459 14.630 -13.641 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.227 15.592 -12.789 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.172 15.444 -14.562 1.00 0.00 H new ATOM 626 N MET A 61 5.698 20.757 -12.812 1.00 0.00 N ATOM 627 CA MET A 61 4.771 21.879 -12.957 1.00 0.00 C ATOM 628 C MET A 61 5.379 23.280 -12.747 1.00 0.00 C ATOM 629 O MET A 61 4.984 24.215 -13.443 1.00 0.00 O ATOM 630 CB MET A 61 3.554 21.628 -12.050 1.00 0.00 C ATOM 631 CG MET A 61 2.288 21.610 -12.901 1.00 0.00 C ATOM 632 SD MET A 61 2.257 20.229 -14.080 1.00 0.00 S ATOM 633 CE MET A 61 0.804 20.686 -15.046 1.00 0.00 C ATOM 0 H MET A 61 5.509 20.166 -12.003 1.00 0.00 H new ATOM 0 HA MET A 61 4.470 21.906 -14.004 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.667 20.680 -11.525 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.485 22.407 -11.291 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.417 21.545 -12.249 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.208 22.550 -13.447 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.635 19.941 -15.823 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.067 20.733 -14.393 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.965 21.661 -15.507 1.00 0.00 H new ATOM 643 N VAL A 62 6.363 23.441 -11.853 1.00 0.00 N ATOM 644 CA VAL A 62 7.087 24.713 -11.629 1.00 0.00 C ATOM 645 C VAL A 62 8.132 24.946 -12.723 1.00 0.00 C ATOM 646 O VAL A 62 8.151 26.011 -13.348 1.00 0.00 O ATOM 647 CB VAL A 62 7.699 24.755 -10.219 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.644 25.944 -9.995 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.600 24.838 -9.152 1.00 0.00 C ATOM 0 H VAL A 62 6.688 22.684 -11.252 1.00 0.00 H new ATOM 0 HA VAL A 62 6.372 25.534 -11.691 1.00 0.00 H new ATOM 0 HB VAL A 62 8.273 23.833 -10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.038 25.909 -8.979 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.468 25.893 -10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.097 26.876 -10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.055 24.867 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.010 25.742 -9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.952 23.965 -9.228 1.00 0.00 H new ATOM 659 N LYS A 63 8.938 23.920 -13.032 1.00 0.00 N ATOM 660 CA LYS A 63 9.858 23.911 -14.184 1.00 0.00 C ATOM 661 C LYS A 63 9.124 23.911 -15.539 1.00 0.00 C ATOM 662 O LYS A 63 9.762 24.113 -16.571 1.00 0.00 O ATOM 663 CB LYS A 63 10.808 22.701 -14.105 1.00 0.00 C ATOM 664 CG LYS A 63 11.716 22.548 -12.877 1.00 0.00 C ATOM 665 CD LYS A 63 12.418 23.839 -12.447 1.00 0.00 C ATOM 666 CE LYS A 63 13.730 23.582 -11.686 1.00 0.00 C ATOM 667 NZ LYS A 63 14.795 22.990 -12.553 1.00 0.00 N ATOM 0 H LYS A 63 8.971 23.061 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 63 10.432 24.836 -14.129 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.200 21.800 -14.179 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.448 22.727 -14.987 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.120 22.177 -12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.471 21.791 -13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.628 24.444 -13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.745 24.419 -11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.090 24.520 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.534 22.911 -10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.712 23.420 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.842 21.964 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.572 23.174 -13.552 1.00 0.00 H new ATOM 681 N GLN A 64 7.802 23.687 -15.527 1.00 0.00 N ATOM 682 CA GLN A 64 6.848 23.640 -16.645 1.00 0.00 C ATOM 683 C GLN A 64 7.342 22.799 -17.830 1.00 0.00 C ATOM 684 O GLN A 64 7.277 23.193 -18.997 1.00 0.00 O ATOM 685 CB GLN A 64 6.248 25.021 -16.947 1.00 0.00 C ATOM 686 CG GLN A 64 7.260 26.096 -17.357 1.00 0.00 C ATOM 687 CD GLN A 64 6.798 27.486 -16.924 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.295 28.284 -17.706 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.939 27.817 -15.652 1.00 0.00 N ATOM 0 H GLN A 64 7.325 23.517 -14.642 1.00 0.00 H new ATOM 0 HA GLN A 64 5.977 23.064 -16.332 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.513 24.914 -17.745 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.712 25.368 -16.064 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.229 25.876 -16.909 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.397 26.076 -18.438 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.357 27.157 -14.997 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.630 28.733 -15.326 1.00 0.00 H new ATOM 698 N LEU A 65 7.870 21.618 -17.489 1.00 0.00 N ATOM 699 CA LEU A 65 8.554 20.705 -18.402 1.00 0.00 C ATOM 700 C LEU A 65 7.549 19.781 -19.113 1.00 0.00 C ATOM 701 O LEU A 65 7.610 18.566 -18.969 1.00 0.00 O ATOM 702 CB LEU A 65 9.631 19.905 -17.627 1.00 0.00 C ATOM 703 CG LEU A 65 10.791 20.738 -17.066 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.664 19.875 -16.152 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.673 21.367 -18.145 1.00 0.00 C ATOM 0 H LEU A 65 7.829 21.262 -16.534 1.00 0.00 H new ATOM 0 HA LEU A 65 9.054 21.282 -19.180 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.148 19.383 -16.801 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.040 19.143 -18.290 1.00 0.00 H new ATOM 0 HG LEU A 65 10.332 21.555 -16.509 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.484 20.476 -15.759 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.063 19.497 -15.325 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.068 19.037 -16.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.471 21.940 -17.674 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.107 20.582 -18.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.070 22.028 -18.768 1.00 0.00 H new ATOM 717 N TYR A 66 6.580 20.335 -19.836 1.00 0.00 N ATOM 718 CA TYR A 66 5.505 19.597 -20.509 1.00 0.00 C ATOM 719 C TYR A 66 5.121 20.217 -21.862 1.00 0.00 C ATOM 720 O TYR A 66 5.476 21.360 -22.163 1.00 0.00 O ATOM 721 CB TYR A 66 4.291 19.481 -19.568 1.00 0.00 C ATOM 722 CG TYR A 66 3.803 20.787 -18.959 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.142 21.747 -19.752 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.014 21.042 -17.589 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.713 22.964 -19.186 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.571 22.249 -17.017 1.00 0.00 C ATOM 727 CZ TYR A 66 2.924 23.217 -17.812 1.00 0.00 C ATOM 728 OH TYR A 66 2.511 24.385 -17.247 1.00 0.00 O ATOM 0 H TYR A 66 6.516 21.343 -19.977 1.00 0.00 H new ATOM 0 HA TYR A 66 5.873 18.596 -20.737 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.468 19.029 -20.121 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.545 18.797 -18.759 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.964 21.549 -20.799 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.517 20.309 -16.976 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.223 23.703 -19.802 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.727 22.435 -15.965 1.00 0.00 H new ATOM 0 HH TYR A 66 2.738 24.386 -16.294 1.00 0.00 H new ATOM 738 N ASP A 67 4.389 19.469 -22.692 1.00 0.00 N ATOM 739 CA ASP A 67 3.888 19.968 -23.979 1.00 0.00 C ATOM 740 C ASP A 67 2.732 20.973 -23.791 1.00 0.00 C ATOM 741 O ASP A 67 1.793 20.725 -23.033 1.00 0.00 O ATOM 742 CB ASP A 67 3.458 18.798 -24.880 1.00 0.00 C ATOM 743 CG ASP A 67 3.370 19.196 -26.365 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.742 20.237 -26.674 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.941 18.479 -27.221 1.00 0.00 O ATOM 0 H ASP A 67 4.127 18.504 -22.493 1.00 0.00 H new ATOM 0 HA ASP A 67 4.703 20.501 -24.468 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.168 17.978 -24.769 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.488 18.427 -24.549 1.00 0.00 H new ATOM 750 N GLN A 68 2.771 22.085 -24.534 1.00 0.00 N ATOM 751 CA GLN A 68 1.685 23.075 -24.637 1.00 0.00 C ATOM 752 C GLN A 68 0.311 22.436 -24.933 1.00 0.00 C ATOM 753 O GLN A 68 -0.708 22.859 -24.382 1.00 0.00 O ATOM 754 CB GLN A 68 1.975 24.091 -25.766 1.00 0.00 C ATOM 755 CG GLN A 68 3.444 24.517 -25.959 1.00 0.00 C ATOM 756 CD GLN A 68 4.114 23.921 -27.207 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.781 24.621 -27.959 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.009 22.637 -27.506 1.00 0.00 N ATOM 0 H GLN A 68 3.584 22.331 -25.099 1.00 0.00 H new ATOM 0 HA GLN A 68 1.645 23.565 -23.664 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.619 23.666 -26.705 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.384 24.987 -25.577 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.490 25.604 -26.020 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.015 24.222 -25.078 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.463 22.017 -26.908 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.474 22.267 -28.335 1.00 0.00 H new ATOM 767 N GLN A 69 0.292 21.425 -25.812 1.00 0.00 N ATOM 768 CA GLN A 69 -0.916 20.771 -26.322 1.00 0.00 C ATOM 769 C GLN A 69 -1.373 19.587 -25.454 1.00 0.00 C ATOM 770 O GLN A 69 -2.532 19.174 -25.533 1.00 0.00 O ATOM 771 CB GLN A 69 -0.683 20.324 -27.779 1.00 0.00 C ATOM 772 CG GLN A 69 -0.088 21.393 -28.719 1.00 0.00 C ATOM 773 CD GLN A 69 -0.866 22.711 -28.785 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.059 22.801 -28.519 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.217 23.797 -29.157 1.00 0.00 N ATOM 0 H GLN A 69 1.148 21.028 -26.200 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.724 21.502 -26.283 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.017 19.461 -27.773 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.634 19.990 -28.194 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.932 21.607 -28.399 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.026 20.976 -29.724 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.776 23.745 -29.383 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.708 24.689 -29.219 1.00 0.00 H new ATOM 784 N GLU A 70 -0.479 19.043 -24.623 1.00 0.00 N ATOM 785 CA GLU A 70 -0.764 17.923 -23.719 1.00 0.00 C ATOM 786 C GLU A 70 0.143 17.947 -22.480 1.00 0.00 C ATOM 787 O GLU A 70 1.238 17.382 -22.452 1.00 0.00 O ATOM 788 CB GLU A 70 -0.717 16.561 -24.443 1.00 0.00 C ATOM 789 CG GLU A 70 0.362 16.407 -25.531 1.00 0.00 C ATOM 790 CD GLU A 70 0.233 15.056 -26.266 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.783 14.836 -26.973 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.162 14.215 -26.187 1.00 0.00 O ATOM 0 H GLU A 70 0.483 19.375 -24.558 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.788 18.053 -23.369 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.565 15.781 -23.697 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.691 16.381 -24.898 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.276 17.223 -26.249 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.351 16.484 -25.078 1.00 0.00 H new ATOM 799 N GLN A 71 -0.376 18.546 -21.406 1.00 0.00 N ATOM 800 CA GLN A 71 0.256 18.603 -20.083 1.00 0.00 C ATOM 801 C GLN A 71 0.527 17.204 -19.494 1.00 0.00 C ATOM 802 O GLN A 71 1.357 17.065 -18.594 1.00 0.00 O ATOM 803 CB GLN A 71 -0.642 19.410 -19.127 1.00 0.00 C ATOM 804 CG GLN A 71 -0.659 20.928 -19.407 1.00 0.00 C ATOM 805 CD GLN A 71 -1.298 21.348 -20.738 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.217 20.723 -21.257 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.838 22.419 -21.349 1.00 0.00 N ATOM 0 H GLN A 71 -1.278 19.021 -21.433 1.00 0.00 H new ATOM 0 HA GLN A 71 1.224 19.090 -20.200 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.661 19.028 -19.194 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.306 19.244 -18.104 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.192 21.423 -18.596 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.367 21.295 -19.385 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.074 22.954 -20.935 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.245 22.714 -22.236 1.00 0.00 H new ATOM 816 N HIS A 72 -0.135 16.161 -20.021 1.00 0.00 N ATOM 817 CA HIS A 72 0.088 14.766 -19.633 1.00 0.00 C ATOM 818 C HIS A 72 1.478 14.239 -20.051 1.00 0.00 C ATOM 819 O HIS A 72 1.965 13.270 -19.461 1.00 0.00 O ATOM 820 CB HIS A 72 -1.068 13.879 -20.153 1.00 0.00 C ATOM 821 CG HIS A 72 -0.695 12.955 -21.293 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.313 13.367 -22.570 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.563 11.597 -21.213 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.060 12.256 -23.225 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.088 11.176 -22.438 1.00 0.00 N ATOM 0 H HIS A 72 -0.851 16.269 -20.740 1.00 0.00 H new ATOM 0 HA HIS A 72 0.087 14.719 -18.544 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.447 13.278 -19.326 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.884 14.524 -20.479 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.787 10.975 -20.359 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.427 12.233 -24.240 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.116 10.212 -22.701 1.00 0.00 H new ATOM 833 N MET A 73 2.110 14.878 -21.046 1.00 0.00 N ATOM 834 CA MET A 73 3.397 14.506 -21.635 1.00 0.00 C ATOM 835 C MET A 73 4.508 15.448 -21.152 1.00 0.00 C ATOM 836 O MET A 73 4.426 16.667 -21.322 1.00 0.00 O ATOM 837 CB MET A 73 3.276 14.524 -23.167 1.00 0.00 C ATOM 838 CG MET A 73 4.555 14.065 -23.874 1.00 0.00 C ATOM 839 SD MET A 73 5.062 12.363 -23.506 1.00 0.00 S ATOM 840 CE MET A 73 6.482 12.239 -24.622 1.00 0.00 C ATOM 0 H MET A 73 1.714 15.711 -21.482 1.00 0.00 H new ATOM 0 HA MET A 73 3.665 13.499 -21.315 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.450 13.880 -23.468 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.029 15.534 -23.495 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.412 14.162 -24.950 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.367 14.738 -23.598 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.054 11.342 -24.385 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.131 12.184 -25.653 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.117 13.116 -24.501 1.00 0.00 H new ATOM 850 N VAL A 74 5.560 14.876 -20.568 1.00 0.00 N ATOM 851 CA VAL A 74 6.687 15.576 -19.936 1.00 0.00 C ATOM 852 C VAL A 74 7.872 15.660 -20.906 1.00 0.00 C ATOM 853 O VAL A 74 8.205 14.684 -21.580 1.00 0.00 O ATOM 854 CB VAL A 74 7.092 14.872 -18.616 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.121 15.673 -17.813 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.884 14.646 -17.694 1.00 0.00 C ATOM 0 H VAL A 74 5.658 13.862 -20.518 1.00 0.00 H new ATOM 0 HA VAL A 74 6.377 16.592 -19.691 1.00 0.00 H new ATOM 0 HB VAL A 74 7.522 13.921 -18.929 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.369 15.134 -16.899 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.023 15.809 -18.410 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.705 16.648 -17.558 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.211 14.150 -16.780 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.432 15.606 -17.444 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.150 14.021 -18.203 1.00 0.00 H new ATOM 866 N TYR A 75 8.527 16.821 -20.941 1.00 0.00 N ATOM 867 CA TYR A 75 9.712 17.147 -21.736 1.00 0.00 C ATOM 868 C TYR A 75 10.745 17.897 -20.881 1.00 0.00 C ATOM 869 O TYR A 75 10.720 19.119 -20.737 1.00 0.00 O ATOM 870 CB TYR A 75 9.306 17.962 -22.971 1.00 0.00 C ATOM 871 CG TYR A 75 8.698 17.107 -24.061 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.503 16.132 -24.677 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.350 17.255 -24.442 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.961 15.286 -25.655 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.812 16.429 -25.450 1.00 0.00 C ATOM 876 CZ TYR A 75 7.616 15.438 -26.059 1.00 0.00 C ATOM 877 OH TYR A 75 7.109 14.633 -27.034 1.00 0.00 O ATOM 0 H TYR A 75 8.223 17.613 -20.375 1.00 0.00 H new ATOM 0 HA TYR A 75 10.178 16.223 -22.078 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.591 18.730 -22.676 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.182 18.477 -23.365 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.541 16.035 -24.396 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.730 17.999 -23.963 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.573 14.516 -26.101 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.784 16.553 -25.757 1.00 0.00 H new ATOM 0 HH TYR A 75 6.170 14.865 -27.194 1.00 0.00 H new ATOM 887 N CYS A 76 11.680 17.127 -20.334 1.00 0.00 N ATOM 888 CA CYS A 76 12.784 17.514 -19.453 1.00 0.00 C ATOM 889 C CYS A 76 14.063 17.915 -20.212 1.00 0.00 C ATOM 890 O CYS A 76 15.170 17.656 -19.733 1.00 0.00 O ATOM 891 CB CYS A 76 13.053 16.329 -18.517 1.00 0.00 C ATOM 892 SG CYS A 76 11.681 16.107 -17.350 1.00 0.00 S ATOM 0 H CYS A 76 11.687 16.122 -20.511 1.00 0.00 H new ATOM 0 HA CYS A 76 12.495 18.406 -18.897 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.189 15.420 -19.103 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.980 16.496 -17.968 1.00 0.00 H new ATOM 0 HG CYS A 76 11.933 15.097 -16.571 1.00 0.00 H new ATOM 898 N GLY A 77 13.940 18.473 -21.419 1.00 0.00 N ATOM 899 CA GLY A 77 15.082 18.697 -22.306 1.00 0.00 C ATOM 900 C GLY A 77 16.144 19.612 -21.683 1.00 0.00 C ATOM 901 O GLY A 77 15.879 20.779 -21.384 1.00 0.00 O ATOM 0 H GLY A 77 13.048 18.781 -21.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.536 17.738 -22.557 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.731 19.137 -23.239 1.00 0.00 H new ATOM 905 N GLY A 78 17.342 19.064 -21.468 1.00 0.00 N ATOM 906 CA GLY A 78 18.473 19.728 -20.818 1.00 0.00 C ATOM 907 C GLY A 78 18.349 19.923 -19.297 1.00 0.00 C ATOM 908 O GLY A 78 19.155 20.668 -18.734 1.00 0.00 O ATOM 0 H GLY A 78 17.559 18.109 -21.753 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.375 19.149 -21.019 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.612 20.705 -21.281 1.00 0.00 H new ATOM 912 N ASP A 79 17.375 19.305 -18.611 1.00 0.00 N ATOM 913 CA ASP A 79 17.156 19.489 -17.179 1.00 0.00 C ATOM 914 C ASP A 79 17.855 18.395 -16.348 1.00 0.00 C ATOM 915 O ASP A 79 17.964 17.225 -16.747 1.00 0.00 O ATOM 916 CB ASP A 79 15.647 19.591 -16.904 1.00 0.00 C ATOM 917 CG ASP A 79 15.379 20.127 -15.495 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.337 19.299 -14.561 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.256 21.359 -15.307 1.00 0.00 O ATOM 0 H ASP A 79 16.715 18.659 -19.044 1.00 0.00 H new ATOM 0 HA ASP A 79 17.616 20.424 -16.860 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.183 20.247 -17.640 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.186 18.610 -17.017 1.00 0.00 H new ATOM 924 N LEU A 80 18.294 18.773 -15.144 1.00 0.00 N ATOM 925 CA LEU A 80 18.926 17.872 -14.183 1.00 0.00 C ATOM 926 C LEU A 80 18.005 16.688 -13.819 1.00 0.00 C ATOM 927 O LEU A 80 18.494 15.604 -13.508 1.00 0.00 O ATOM 928 CB LEU A 80 19.423 18.699 -12.982 1.00 0.00 C ATOM 929 CG LEU A 80 20.437 17.974 -12.076 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.692 17.501 -12.813 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.893 18.914 -10.957 1.00 0.00 C ATOM 0 H LEU A 80 18.217 19.732 -14.806 1.00 0.00 H new ATOM 0 HA LEU A 80 19.800 17.394 -14.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.880 19.616 -13.354 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.563 18.993 -12.380 1.00 0.00 H new ATOM 0 HG LEU A 80 19.916 17.096 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.359 17.000 -12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.409 16.806 -13.604 1.00 0.00 H new ATOM 0 HD13 LEU A 80 22.203 18.359 -13.249 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.610 18.398 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.363 19.796 -11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.031 19.218 -10.363 1.00 0.00 H new ATOM 943 N LEU A 81 16.680 16.867 -13.900 1.00 0.00 N ATOM 944 CA LEU A 81 15.697 15.789 -13.757 1.00 0.00 C ATOM 945 C LEU A 81 15.777 14.757 -14.897 1.00 0.00 C ATOM 946 O LEU A 81 15.744 13.559 -14.631 1.00 0.00 O ATOM 947 CB LEU A 81 14.292 16.415 -13.660 1.00 0.00 C ATOM 948 CG LEU A 81 13.152 15.377 -13.554 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.272 14.515 -12.294 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.785 16.052 -13.518 1.00 0.00 C ATOM 0 H LEU A 81 16.256 17.779 -14.069 1.00 0.00 H new ATOM 0 HA LEU A 81 15.919 15.234 -12.845 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.256 17.070 -12.790 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.122 17.040 -14.537 1.00 0.00 H new ATOM 0 HG LEU A 81 13.244 14.749 -14.440 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.450 13.800 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.220 13.977 -12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.232 15.153 -11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.006 15.293 -13.443 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.729 16.715 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.641 16.631 -14.430 1.00 0.00 H new ATOM 962 N GLY A 82 15.919 15.190 -16.155 1.00 0.00 N ATOM 963 CA GLY A 82 16.135 14.283 -17.294 1.00 0.00 C ATOM 964 C GLY A 82 17.475 13.553 -17.190 1.00 0.00 C ATOM 965 O GLY A 82 17.546 12.349 -17.441 1.00 0.00 O ATOM 0 H GLY A 82 15.888 16.176 -16.414 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.326 13.554 -17.337 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.102 14.852 -18.223 1.00 0.00 H new ATOM 969 N GLU A 83 18.521 14.240 -16.720 1.00 0.00 N ATOM 970 CA GLU A 83 19.823 13.637 -16.457 1.00 0.00 C ATOM 971 C GLU A 83 19.753 12.595 -15.319 1.00 0.00 C ATOM 972 O GLU A 83 20.372 11.533 -15.424 1.00 0.00 O ATOM 973 CB GLU A 83 20.761 14.812 -16.164 1.00 0.00 C ATOM 974 CG GLU A 83 22.070 14.456 -15.474 1.00 0.00 C ATOM 975 CD GLU A 83 22.983 13.498 -16.269 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.951 13.494 -17.525 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.779 12.760 -15.637 1.00 0.00 O ATOM 0 H GLU A 83 18.483 15.238 -16.511 1.00 0.00 H new ATOM 0 HA GLU A 83 20.193 13.062 -17.306 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.992 15.312 -17.105 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.228 15.532 -15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.620 15.375 -15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.844 14.002 -14.509 1.00 0.00 H new ATOM 984 N LEU A 84 18.957 12.849 -14.271 1.00 0.00 N ATOM 985 CA LEU A 84 18.719 11.907 -13.173 1.00 0.00 C ATOM 986 C LEU A 84 17.914 10.674 -13.622 1.00 0.00 C ATOM 987 O LEU A 84 18.300 9.539 -13.336 1.00 0.00 O ATOM 988 CB LEU A 84 18.013 12.647 -12.019 1.00 0.00 C ATOM 989 CG LEU A 84 17.585 11.745 -10.843 1.00 0.00 C ATOM 990 CD1 LEU A 84 18.769 11.005 -10.220 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.915 12.589 -9.760 1.00 0.00 C ATOM 0 H LEU A 84 18.453 13.729 -14.162 1.00 0.00 H new ATOM 0 HA LEU A 84 19.682 11.529 -12.829 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.679 13.422 -11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.130 13.150 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 84 16.891 11.006 -11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.417 10.383 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.242 10.375 -10.974 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.493 11.728 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.615 11.947 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.616 13.342 -9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.035 13.081 -10.175 1.00 0.00 H new ATOM 1003 N LEU A 85 16.799 10.890 -14.329 1.00 0.00 N ATOM 1004 CA LEU A 85 15.916 9.816 -14.805 1.00 0.00 C ATOM 1005 C LEU A 85 16.532 9.010 -15.967 1.00 0.00 C ATOM 1006 O LEU A 85 16.108 7.881 -16.220 1.00 0.00 O ATOM 1007 CB LEU A 85 14.551 10.414 -15.203 1.00 0.00 C ATOM 1008 CG LEU A 85 13.713 10.979 -14.035 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.475 11.667 -14.607 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.232 9.906 -13.059 1.00 0.00 C ATOM 0 H LEU A 85 16.480 11.823 -14.590 1.00 0.00 H new ATOM 0 HA LEU A 85 15.779 9.108 -13.988 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.719 11.211 -15.927 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.968 9.643 -15.707 1.00 0.00 H new ATOM 0 HG LEU A 85 14.360 11.665 -13.489 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.874 12.071 -13.792 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.782 12.478 -15.268 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.884 10.944 -15.170 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.650 10.372 -12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.610 9.185 -13.589 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.092 9.395 -12.627 1.00 0.00 H new ATOM 1022 N GLY A 86 17.521 9.571 -16.675 1.00 0.00 N ATOM 1023 CA GLY A 86 18.214 8.928 -17.802 1.00 0.00 C ATOM 1024 C GLY A 86 17.476 9.050 -19.143 1.00 0.00 C ATOM 1025 O GLY A 86 17.970 8.571 -20.167 1.00 0.00 O ATOM 0 H GLY A 86 17.871 10.508 -16.476 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.206 9.369 -17.904 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.356 7.872 -17.572 1.00 0.00 H new ATOM 1029 N ARG A 87 16.308 9.708 -19.143 1.00 0.00 N ATOM 1030 CA ARG A 87 15.521 10.090 -20.327 1.00 0.00 C ATOM 1031 C ARG A 87 14.813 11.420 -20.115 1.00 0.00 C ATOM 1032 O ARG A 87 14.375 11.741 -19.013 1.00 0.00 O ATOM 1033 CB ARG A 87 14.547 8.972 -20.774 1.00 0.00 C ATOM 1034 CG ARG A 87 13.815 8.232 -19.635 1.00 0.00 C ATOM 1035 CD ARG A 87 12.945 7.077 -20.156 1.00 0.00 C ATOM 1036 NE ARG A 87 11.661 7.549 -20.715 1.00 0.00 N ATOM 1037 CZ ARG A 87 10.535 6.866 -20.840 1.00 0.00 C ATOM 1038 NH1 ARG A 87 10.370 5.632 -20.471 1.00 0.00 N ATOM 1039 NH2 ARG A 87 9.492 7.431 -21.355 1.00 0.00 N ATOM 0 H ARG A 87 15.863 10.004 -18.274 1.00 0.00 H new ATOM 0 HA ARG A 87 16.224 10.225 -21.149 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.801 9.409 -21.438 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.105 8.241 -21.359 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.547 7.842 -18.928 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.189 8.938 -19.089 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.493 6.530 -20.923 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.749 6.377 -19.343 1.00 0.00 H new ATOM 0 HE ARG A 87 11.641 8.515 -21.043 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.144 5.118 -20.049 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.467 5.177 -20.603 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.538 8.402 -21.664 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.623 6.906 -21.452 1.00 0.00 H new ATOM 1053 N GLN A 88 14.706 12.183 -21.202 1.00 0.00 N ATOM 1054 CA GLN A 88 14.181 13.553 -21.205 1.00 0.00 C ATOM 1055 C GLN A 88 12.691 13.624 -21.548 1.00 0.00 C ATOM 1056 O GLN A 88 12.133 14.716 -21.595 1.00 0.00 O ATOM 1057 CB GLN A 88 15.042 14.433 -22.124 1.00 0.00 C ATOM 1058 CG GLN A 88 16.443 14.593 -21.519 1.00 0.00 C ATOM 1059 CD GLN A 88 17.436 15.222 -22.495 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.754 16.400 -22.427 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.963 14.476 -23.444 1.00 0.00 N ATOM 0 H GLN A 88 14.988 11.861 -22.128 1.00 0.00 H new ATOM 0 HA GLN A 88 14.249 13.943 -20.189 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.112 13.983 -23.114 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.576 15.410 -22.250 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.379 15.210 -20.623 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.814 13.616 -21.208 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.710 13.491 -23.517 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.624 14.884 -24.105 1.00 0.00 H new ATOM 1070 N SER A 89 12.026 12.486 -21.747 1.00 0.00 N ATOM 1071 CA SER A 89 10.565 12.455 -21.917 1.00 0.00 C ATOM 1072 C SER A 89 9.894 11.197 -21.371 1.00 0.00 C ATOM 1073 O SER A 89 10.408 10.086 -21.507 1.00 0.00 O ATOM 1074 CB SER A 89 10.175 12.713 -23.378 1.00 0.00 C ATOM 1075 OG SER A 89 10.806 11.814 -24.284 1.00 0.00 O ATOM 0 H SER A 89 12.472 11.570 -21.795 1.00 0.00 H new ATOM 0 HA SER A 89 10.181 13.269 -21.302 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.093 12.626 -23.481 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.440 13.736 -23.645 1.00 0.00 H new ATOM 0 HG SER A 89 10.523 12.020 -25.199 1.00 0.00 H new ATOM 1081 N PHE A 90 8.731 11.388 -20.749 1.00 0.00 N ATOM 1082 CA PHE A 90 7.839 10.374 -20.168 1.00 0.00 C ATOM 1083 C PHE A 90 6.431 10.976 -20.000 1.00 0.00 C ATOM 1084 O PHE A 90 6.226 12.156 -20.285 1.00 0.00 O ATOM 1085 CB PHE A 90 8.417 9.870 -18.833 1.00 0.00 C ATOM 1086 CG PHE A 90 8.551 10.900 -17.726 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.717 11.682 -17.629 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.529 11.048 -16.767 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.857 12.613 -16.586 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.673 11.977 -15.721 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.838 12.758 -15.630 1.00 0.00 C ATOM 0 H PHE A 90 8.355 12.328 -20.626 1.00 0.00 H new ATOM 0 HA PHE A 90 7.761 9.513 -20.832 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.785 9.059 -18.471 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.402 9.445 -19.026 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.506 11.566 -18.358 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.634 10.447 -16.835 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.749 13.218 -16.519 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.888 12.090 -14.988 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.950 13.469 -14.825 1.00 0.00 H new ATOM 1101 N SER A 91 5.445 10.200 -19.553 1.00 0.00 N ATOM 1102 CA SER A 91 4.067 10.682 -19.364 1.00 0.00 C ATOM 1103 C SER A 91 3.395 10.045 -18.148 1.00 0.00 C ATOM 1104 O SER A 91 3.931 9.118 -17.542 1.00 0.00 O ATOM 1105 CB SER A 91 3.254 10.397 -20.632 1.00 0.00 C ATOM 1106 OG SER A 91 2.931 9.018 -20.701 1.00 0.00 O ATOM 0 H SER A 91 5.573 9.218 -19.310 1.00 0.00 H new ATOM 0 HA SER A 91 4.106 11.756 -19.179 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.341 10.993 -20.630 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.825 10.690 -21.513 1.00 0.00 H new ATOM 0 HG SER A 91 2.410 8.844 -21.513 1.00 0.00 H new ATOM 1112 N VAL A 92 2.177 10.486 -17.820 1.00 0.00 N ATOM 1113 CA VAL A 92 1.334 9.808 -16.812 1.00 0.00 C ATOM 1114 C VAL A 92 0.781 8.448 -17.291 1.00 0.00 C ATOM 1115 O VAL A 92 0.233 7.695 -16.485 1.00 0.00 O ATOM 1116 CB VAL A 92 0.218 10.728 -16.281 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.818 11.984 -15.637 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.764 11.162 -17.372 1.00 0.00 C ATOM 0 H VAL A 92 1.745 11.312 -18.235 1.00 0.00 H new ATOM 0 HA VAL A 92 1.996 9.582 -15.976 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.331 10.143 -15.543 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.015 12.622 -15.268 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.463 11.695 -14.807 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.403 12.529 -16.378 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.527 11.808 -16.938 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.227 11.706 -18.149 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.238 10.282 -17.806 1.00 0.00 H new ATOM 1128 N LYS A 93 0.951 8.105 -18.582 1.00 0.00 N ATOM 1129 CA LYS A 93 0.678 6.769 -19.155 1.00 0.00 C ATOM 1130 C LYS A 93 1.928 5.873 -19.223 1.00 0.00 C ATOM 1131 O LYS A 93 1.798 4.649 -19.213 1.00 0.00 O ATOM 1132 CB LYS A 93 0.019 6.909 -20.539 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.367 7.569 -20.462 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.052 7.578 -21.837 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.435 8.237 -21.739 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.145 8.220 -23.048 1.00 0.00 N ATOM 0 H LYS A 93 1.292 8.768 -19.278 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.014 6.267 -18.478 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.665 7.500 -21.188 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.075 5.924 -20.995 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.989 7.033 -19.746 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.267 8.591 -20.095 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.435 8.118 -22.555 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.153 6.558 -22.207 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.035 7.716 -20.993 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.325 9.266 -21.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.075 8.673 -22.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.584 8.738 -23.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.272 7.236 -23.361 1.00 0.00 H new ATOM 1150 N ASP A 94 3.125 6.466 -19.232 1.00 0.00 N ATOM 1151 CA ASP A 94 4.428 5.791 -19.126 1.00 0.00 C ATOM 1152 C ASP A 94 5.276 6.344 -17.948 1.00 0.00 C ATOM 1153 O ASP A 94 6.353 6.905 -18.173 1.00 0.00 O ATOM 1154 CB ASP A 94 5.143 5.877 -20.489 1.00 0.00 C ATOM 1155 CG ASP A 94 6.453 5.064 -20.532 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.454 3.889 -20.094 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.478 5.579 -21.044 1.00 0.00 O ATOM 0 H ASP A 94 3.220 7.478 -19.317 1.00 0.00 H new ATOM 0 HA ASP A 94 4.278 4.738 -18.887 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.472 5.517 -21.269 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.362 6.921 -20.714 1.00 0.00 H new ATOM 1162 N PRO A 95 4.813 6.221 -16.682 1.00 0.00 N ATOM 1163 CA PRO A 95 5.475 6.800 -15.503 1.00 0.00 C ATOM 1164 C PRO A 95 6.697 6.004 -15.009 1.00 0.00 C ATOM 1165 O PRO A 95 7.305 6.364 -14.000 1.00 0.00 O ATOM 1166 CB PRO A 95 4.373 6.873 -14.442 1.00 0.00 C ATOM 1167 CG PRO A 95 3.536 5.633 -14.752 1.00 0.00 C ATOM 1168 CD PRO A 95 3.552 5.608 -16.278 1.00 0.00 C ATOM 0 HA PRO A 95 5.900 7.775 -15.743 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.780 6.846 -13.431 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.788 7.789 -14.526 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.972 4.730 -14.325 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.524 5.716 -14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.479 4.587 -16.651 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.704 6.158 -16.685 1.00 0.00 H new ATOM 1176 N SER A 96 7.072 4.923 -15.698 1.00 0.00 N ATOM 1177 CA SER A 96 8.127 3.970 -15.320 1.00 0.00 C ATOM 1178 C SER A 96 9.471 4.566 -14.857 1.00 0.00 C ATOM 1179 O SER A 96 10.048 3.979 -13.942 1.00 0.00 O ATOM 1180 CB SER A 96 8.372 2.993 -16.477 1.00 0.00 C ATOM 1181 OG SER A 96 7.155 2.349 -16.830 1.00 0.00 O ATOM 0 H SER A 96 6.627 4.673 -16.581 1.00 0.00 H new ATOM 0 HA SER A 96 7.734 3.474 -14.433 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.774 3.528 -17.338 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.116 2.251 -16.187 1.00 0.00 H new ATOM 0 HG SER A 96 7.317 1.728 -17.570 1.00 0.00 H new ATOM 1187 N PRO A 97 9.989 5.707 -15.373 1.00 0.00 N ATOM 1188 CA PRO A 97 11.277 6.252 -14.915 1.00 0.00 C ATOM 1189 C PRO A 97 11.334 6.592 -13.415 1.00 0.00 C ATOM 1190 O PRO A 97 12.370 6.388 -12.785 1.00 0.00 O ATOM 1191 CB PRO A 97 11.536 7.484 -15.789 1.00 0.00 C ATOM 1192 CG PRO A 97 10.807 7.128 -17.080 1.00 0.00 C ATOM 1193 CD PRO A 97 9.553 6.437 -16.561 1.00 0.00 C ATOM 0 HA PRO A 97 12.052 5.494 -15.023 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.141 8.393 -15.337 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.601 7.648 -15.955 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.569 8.013 -17.671 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.401 6.471 -17.715 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.776 7.161 -16.316 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.136 5.762 -17.308 1.00 0.00 H new ATOM 1201 N LEU A 98 10.215 7.036 -12.824 1.00 0.00 N ATOM 1202 CA LEU A 98 10.044 7.228 -11.372 1.00 0.00 C ATOM 1203 C LEU A 98 10.304 5.904 -10.625 1.00 0.00 C ATOM 1204 O LEU A 98 11.174 5.781 -9.753 1.00 0.00 O ATOM 1205 CB LEU A 98 8.591 7.727 -11.160 1.00 0.00 C ATOM 1206 CG LEU A 98 8.098 7.843 -9.704 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.517 9.164 -9.066 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.574 7.766 -9.654 1.00 0.00 C ATOM 0 H LEU A 98 9.379 7.279 -13.356 1.00 0.00 H new ATOM 0 HA LEU A 98 10.754 7.954 -10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.497 8.707 -11.629 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.920 7.053 -11.693 1.00 0.00 H new ATOM 0 HG LEU A 98 8.548 7.017 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.150 9.205 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.604 9.239 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.097 9.993 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.239 7.849 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.149 8.581 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.244 6.813 -10.067 1.00 0.00 H new ATOM 1220 N TYR A 99 9.549 4.876 -11.002 1.00 0.00 N ATOM 1221 CA TYR A 99 9.593 3.601 -10.306 1.00 0.00 C ATOM 1222 C TYR A 99 10.910 2.856 -10.553 1.00 0.00 C ATOM 1223 O TYR A 99 11.378 2.168 -9.656 1.00 0.00 O ATOM 1224 CB TYR A 99 8.376 2.751 -10.695 1.00 0.00 C ATOM 1225 CG TYR A 99 7.036 3.406 -10.407 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.564 3.482 -9.081 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.259 3.932 -11.460 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.312 4.068 -8.809 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.002 4.506 -11.192 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.522 4.573 -9.864 1.00 0.00 C ATOM 1231 OH TYR A 99 3.303 5.118 -9.596 1.00 0.00 O ATOM 0 H TYR A 99 8.899 4.905 -11.788 1.00 0.00 H new ATOM 0 HA TYR A 99 9.550 3.796 -9.234 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.433 2.521 -11.759 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.425 1.802 -10.161 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.163 3.090 -8.272 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.629 3.894 -12.474 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.956 4.131 -7.791 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.403 4.896 -12.002 1.00 0.00 H new ATOM 0 HH TYR A 99 2.888 5.419 -10.431 1.00 0.00 H new ATOM 1241 N ASP A 100 11.567 3.041 -11.700 1.00 0.00 N ATOM 1242 CA ASP A 100 12.902 2.485 -11.965 1.00 0.00 C ATOM 1243 C ASP A 100 14.009 3.139 -11.121 1.00 0.00 C ATOM 1244 O ASP A 100 14.986 2.495 -10.735 1.00 0.00 O ATOM 1245 CB ASP A 100 13.238 2.604 -13.449 1.00 0.00 C ATOM 1246 CG ASP A 100 14.397 1.662 -13.829 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.356 0.461 -13.459 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.348 2.118 -14.508 1.00 0.00 O ATOM 0 H ASP A 100 11.189 3.583 -12.477 1.00 0.00 H new ATOM 0 HA ASP A 100 12.864 1.435 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.358 2.363 -14.045 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.509 3.633 -13.683 1.00 0.00 H new ATOM 1253 N MET A 101 13.841 4.422 -10.799 1.00 0.00 N ATOM 1254 CA MET A 101 14.665 5.144 -9.835 1.00 0.00 C ATOM 1255 C MET A 101 14.421 4.618 -8.403 1.00 0.00 C ATOM 1256 O MET A 101 15.369 4.514 -7.624 1.00 0.00 O ATOM 1257 CB MET A 101 14.373 6.648 -10.031 1.00 0.00 C ATOM 1258 CG MET A 101 14.447 7.493 -8.766 1.00 0.00 C ATOM 1259 SD MET A 101 13.840 9.189 -8.981 1.00 0.00 S ATOM 1260 CE MET A 101 12.151 8.987 -8.337 1.00 0.00 C ATOM 0 H MET A 101 13.110 5.000 -11.213 1.00 0.00 H new ATOM 0 HA MET A 101 15.731 4.982 -9.998 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.081 7.047 -10.758 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.378 6.755 -10.463 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.868 7.007 -7.981 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.481 7.528 -8.424 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.596 9.915 -8.474 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.650 8.182 -8.875 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.193 8.743 -7.276 1.00 0.00 H new ATOM 1270 N LEU A 102 13.177 4.257 -8.051 1.00 0.00 N ATOM 1271 CA LEU A 102 12.790 3.865 -6.683 1.00 0.00 C ATOM 1272 C LEU A 102 12.943 2.367 -6.369 1.00 0.00 C ATOM 1273 O LEU A 102 13.313 2.035 -5.244 1.00 0.00 O ATOM 1274 CB LEU A 102 11.364 4.379 -6.409 1.00 0.00 C ATOM 1275 CG LEU A 102 11.266 5.917 -6.459 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.808 6.358 -6.485 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.957 6.572 -5.265 1.00 0.00 C ATOM 0 H LEU A 102 12.402 4.228 -8.714 1.00 0.00 H new ATOM 0 HA LEU A 102 13.497 4.334 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.681 3.951 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.038 4.030 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 102 11.770 6.236 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.758 7.446 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.318 5.943 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.304 6.000 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.864 7.655 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.489 6.231 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.012 6.298 -5.260 1.00 0.00 H new ATOM 1289 N ARG A 103 12.771 1.469 -7.352 1.00 0.00 N ATOM 1290 CA ARG A 103 12.987 0.005 -7.229 1.00 0.00 C ATOM 1291 C ARG A 103 14.405 -0.364 -6.793 1.00 0.00 C ATOM 1292 O ARG A 103 14.626 -1.368 -6.118 1.00 0.00 O ATOM 1293 CB ARG A 103 12.581 -0.717 -8.533 1.00 0.00 C ATOM 1294 CG ARG A 103 13.365 -0.357 -9.808 1.00 0.00 C ATOM 1295 CD ARG A 103 14.669 -1.118 -10.096 1.00 0.00 C ATOM 1296 NE ARG A 103 14.417 -2.522 -10.471 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.196 -3.004 -11.684 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.144 -2.262 -12.756 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.016 -4.285 -11.847 1.00 0.00 N ATOM 0 H ARG A 103 12.468 1.743 -8.287 1.00 0.00 H new ATOM 0 HA ARG A 103 12.337 -0.342 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.677 -1.790 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.526 -0.515 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.700 -0.501 -10.660 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.602 0.706 -9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.210 -0.619 -10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.309 -1.087 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 103 14.412 -3.199 -9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.277 -1.253 -12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.970 -2.691 -13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.046 -4.911 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.845 -4.661 -12.780 1.00 0.00 H new ATOM 1313 N LYS A 104 15.355 0.500 -7.164 1.00 0.00 N ATOM 1314 CA LYS A 104 16.768 0.466 -6.759 1.00 0.00 C ATOM 1315 C LYS A 104 16.951 0.671 -5.245 1.00 0.00 C ATOM 1316 O LYS A 104 17.895 0.121 -4.676 1.00 0.00 O ATOM 1317 CB LYS A 104 17.511 1.517 -7.602 1.00 0.00 C ATOM 1318 CG LYS A 104 19.030 1.539 -7.371 1.00 0.00 C ATOM 1319 CD LYS A 104 19.780 2.374 -8.422 1.00 0.00 C ATOM 1320 CE LYS A 104 19.271 3.822 -8.515 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.115 4.637 -9.434 1.00 0.00 N ATOM 0 H LYS A 104 15.151 1.282 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 104 17.190 -0.521 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.316 1.326 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.105 2.503 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.236 1.941 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.410 0.518 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.843 2.383 -8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.680 1.896 -9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.240 3.825 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.270 4.273 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.746 5.608 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.094 4.653 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.095 4.219 -10.386 1.00 0.00 H new ATOM 1335 N ASN A 105 16.041 1.404 -4.585 1.00 0.00 N ATOM 1336 CA ASN A 105 16.036 1.543 -3.120 1.00 0.00 C ATOM 1337 C ASN A 105 15.155 0.491 -2.411 1.00 0.00 C ATOM 1338 O ASN A 105 15.685 -0.339 -1.671 1.00 0.00 O ATOM 1339 CB ASN A 105 15.687 2.988 -2.731 1.00 0.00 C ATOM 1340 CG ASN A 105 15.939 3.245 -1.249 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.976 3.752 -0.851 1.00 0.00 O ATOM 1342 ND2 ASN A 105 15.011 2.903 -0.384 1.00 0.00 N ATOM 0 H ASN A 105 15.291 1.915 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 105 17.044 1.334 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.282 3.680 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.640 3.185 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.159 3.062 0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.142 2.479 -0.709 1.00 0.00 H new ATOM 1349 N LEU A 106 13.828 0.526 -2.617 1.00 0.00 N ATOM 1350 CA LEU A 106 12.864 -0.434 -2.046 1.00 0.00 C ATOM 1351 C LEU A 106 12.061 -1.186 -3.120 1.00 0.00 C ATOM 1352 O LEU A 106 11.722 -0.620 -4.158 1.00 0.00 O ATOM 1353 CB LEU A 106 11.939 0.241 -1.004 1.00 0.00 C ATOM 1354 CG LEU A 106 10.760 1.091 -1.536 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.843 1.476 -0.376 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.206 2.385 -2.222 1.00 0.00 C ATOM 0 H LEU A 106 13.384 1.238 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 106 13.453 -1.189 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.528 -0.540 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.555 0.880 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 106 10.249 0.473 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.013 2.075 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.455 0.573 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.406 2.055 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.330 2.932 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.760 3.000 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.846 2.145 -3.071 1.00 0.00 H new ATOM 1368 N VAL A 107 11.684 -2.437 -2.840 1.00 0.00 N ATOM 1369 CA VAL A 107 10.764 -3.208 -3.697 1.00 0.00 C ATOM 1370 C VAL A 107 9.367 -2.573 -3.646 1.00 0.00 C ATOM 1371 O VAL A 107 8.813 -2.362 -2.564 1.00 0.00 O ATOM 1372 CB VAL A 107 10.720 -4.698 -3.293 1.00 0.00 C ATOM 1373 CG1 VAL A 107 9.778 -5.506 -4.196 1.00 0.00 C ATOM 1374 CG2 VAL A 107 12.111 -5.341 -3.389 1.00 0.00 C ATOM 0 H VAL A 107 12.004 -2.947 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 107 11.132 -3.175 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 107 10.359 -4.720 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.776 -6.549 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.768 -5.102 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.120 -5.442 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.048 -6.390 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 107 12.475 -5.270 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 107 12.799 -4.821 -2.723 1.00 0.00 H new ATOM 1384 N THR A 108 8.802 -2.254 -4.814 1.00 0.00 N ATOM 1385 CA THR A 108 7.479 -1.618 -4.957 1.00 0.00 C ATOM 1386 C THR A 108 6.772 -2.036 -6.257 1.00 0.00 C ATOM 1387 O THR A 108 7.300 -2.821 -7.052 1.00 0.00 O ATOM 1388 CB THR A 108 7.597 -0.087 -4.805 1.00 0.00 C ATOM 1389 OG1 THR A 108 6.312 0.483 -4.648 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.307 0.623 -5.960 1.00 0.00 C ATOM 0 H THR A 108 9.258 -2.433 -5.709 1.00 0.00 H new ATOM 0 HA THR A 108 6.841 -1.977 -4.150 1.00 0.00 H new ATOM 0 HB THR A 108 8.217 0.062 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.395 1.455 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.341 1.694 -5.763 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.323 0.239 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.764 0.442 -6.887 1.00 0.00 H new ATOM 1398 N LEU A 109 5.549 -1.542 -6.450 1.00 0.00 N ATOM 1399 CA LEU A 109 4.657 -1.879 -7.566 1.00 0.00 C ATOM 1400 C LEU A 109 5.170 -1.351 -8.922 1.00 0.00 C ATOM 1401 O LEU A 109 5.850 -0.324 -8.996 1.00 0.00 O ATOM 1402 CB LEU A 109 3.236 -1.354 -7.272 1.00 0.00 C ATOM 1403 CG LEU A 109 2.580 -1.892 -5.984 1.00 0.00 C ATOM 1404 CD1 LEU A 109 1.191 -1.273 -5.819 1.00 0.00 C ATOM 1405 CD2 LEU A 109 2.423 -3.415 -5.991 1.00 0.00 C ATOM 0 H LEU A 109 5.133 -0.868 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 109 4.634 -2.965 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.275 -0.266 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.594 -1.603 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 109 3.239 -1.620 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.729 -1.654 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.281 -0.189 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.572 -1.534 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.956 -3.737 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.797 -3.712 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.404 -3.881 -6.085 1.00 0.00 H new ATOM 1417 N ALA A 110 4.808 -2.054 -9.999 1.00 0.00 N ATOM 1418 CA ALA A 110 5.134 -1.717 -11.389 1.00 0.00 C ATOM 1419 C ALA A 110 4.058 -2.217 -12.372 1.00 0.00 C ATOM 1420 O ALA A 110 3.108 -2.906 -11.983 1.00 0.00 O ATOM 1421 CB ALA A 110 6.490 -2.332 -11.742 1.00 0.00 C ATOM 0 H ALA A 110 4.257 -2.909 -9.924 1.00 0.00 H new ATOM 0 HA ALA A 110 5.173 -0.631 -11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.743 -2.088 -12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.255 -1.932 -11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.439 -3.415 -11.627 1.00 0.00 H new ATOM 1427 N THR A 111 4.206 -1.866 -13.655 1.00 0.00 N ATOM 1428 CA THR A 111 3.219 -2.160 -14.708 1.00 0.00 C ATOM 1429 C THR A 111 3.810 -2.212 -16.121 1.00 0.00 C ATOM 1430 O THR A 111 4.957 -1.803 -16.357 1.00 0.00 O ATOM 1431 CB THR A 111 2.092 -1.125 -14.616 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.979 -1.531 -15.390 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.480 0.290 -15.059 1.00 0.00 C ATOM 0 H THR A 111 5.024 -1.363 -13.998 1.00 0.00 H new ATOM 0 HA THR A 111 2.836 -3.165 -14.532 1.00 0.00 H new ATOM 0 HB THR A 111 1.853 -1.079 -13.554 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.268 -0.860 -15.318 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.619 0.951 -14.959 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.294 0.657 -14.434 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.803 0.270 -16.100 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.409 13.117 -12.205 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.785 13.185 -11.133 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.392 11.221 -10.863 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.190 14.793 -13.934 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.276 13.232 -12.444 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.594 12.653 -10.126 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.158 10.568 -11.969 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.612 10.500 -9.686 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.291 14.302 -14.651 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.374 15.751 -14.560 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.552 12.752 -12.741 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.867 12.171 -10.425 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.493 9.219 -11.895 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.292 9.144 -9.618 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.632 14.823 -15.896 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.735 16.284 -15.798 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.347 12.222 -11.730 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.263 8.503 -10.723 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.869 15.841 -16.460 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.931 11.625 -12.086 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.195 8.432 -13.264 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.450 16.231 -18.336 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.500 15.508 -15.687 1.00 0.00 C HETATM 1465 CM3 49H A 200 3.066 16.867 -13.631 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.242 19.638 -11.401 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.524 19.307 -11.200 1.00 0.00 N HETATM 1468 O1 49H A 200 -0.974 20.815 -11.545 1.00 0.00 O HETATM 1469 C2 49H A 200 -2.992 17.931 -11.029 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.651 17.101 -11.480 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.095 16.920 -11.764 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.044 14.829 -11.616 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.178 16.424 -17.672 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.193 18.525 -11.430 1.00 0.00 C HETATM 1475 C5 49H A 200 0.237 16.095 -11.228 1.00 0.00 C HETATM 1476 O5 49H A 200 1.264 16.334 -10.616 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.952 14.260 -12.553 1.00 0.00 C HETATM 1478 O6 49H A 200 0.829 16.107 -13.986 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.774 12.698 -10.927 1.00 0.00 C HETATM 1480 C8 49H A 200 0.393 13.715 -10.768 1.00 0.00 C HETATM 1481 C9 49H A 200 1.997 16.578 -14.697 1.00 0.00 C