USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1306 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 MET CE :methyl -153:sc= -0.192 (180deg=-1.09) USER MOD Set 1.2: B 81 THR OG1 : rot -34:sc= 0.861 USER MOD Set 2.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 29 LYS NZ :NH3+ -116:sc= -0.884 (180deg=-2.65!) USER MOD Set 3.2: B 57 MET CE :methyl 143:sc= -0.133 (180deg=-1.15) USER MOD Set 4.1: A 29 LYS NZ :NH3+ -119:sc= -0.963 (180deg=-2.92!) USER MOD Set 4.2: A 57 MET CE :methyl 145:sc= -0.149 (180deg=-1.19) USER MOD Single : A 1 SER N :NH3+ -107:sc= -0.0858 (180deg=-0.64) USER MOD Single : A 1 SER OG : rot 180:sc= -0.424 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -117:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 0.773 (180deg=-0.203) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0492 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0358 (180deg=-0.426) USER MOD Single : A 37 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.3!) USER MOD Single : A 38 ASN :FLIP amide:sc= -9.79! C(o=-14!,f=-9.8!) USER MOD Single : A 41 SER OG : rot -82:sc= -0.761! USER MOD Single : A 42 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 80:sc= 0.0218 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.622 USER MOD Single : A 71 GLN : amide:sc= -3.21! C(o=-3.2!,f=-4.6!) USER MOD Single : A 78 SER OG : rot -38:sc= 0.218 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -29:sc= 0.738 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -108:sc= -0.157 (180deg=-0.674) USER MOD Single : B 1 SER OG : rot 180:sc= -0.421 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -155:sc= -0.188 (180deg=-1.1) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot -125:sc= 1.15 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ -158:sc= 0.682 (180deg=-0.186) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.047 USER MOD Single : B 33 LYS NZ :NH3+ -162:sc= -0.013 (180deg=-0.303) USER MOD Single : B 37 ASN : amide:sc= -0.265 K(o=-0.26,f=-2.3!) USER MOD Single : B 38 ASN :FLIP amide:sc= -9.76! C(o=-13!,f=-9.8!) USER MOD Single : B 41 SER OG : rot 180:sc= -0.788! USER MOD Single : B 42 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-7.2!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 82:sc= 0.0309 USER MOD Single : B 68 CYS SG : rot 180:sc= -0.692 USER MOD Single : B 71 GLN : amide:sc= -3.14! C(o=-3.1!,f=-4.5!) USER MOD Single : B 78 SER OG : rot -41:sc= 0.148 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 66.819 13.007 -9.667 1.00 0.00 N ATOM 2 CA SER A 1 67.493 12.108 -10.647 1.00 0.00 C ATOM 3 C SER A 1 66.970 10.680 -10.481 1.00 0.00 C ATOM 4 O SER A 1 66.329 10.351 -9.503 1.00 0.00 O ATOM 5 CB SER A 1 69.002 12.121 -10.398 1.00 0.00 C ATOM 6 OG SER A 1 69.579 10.949 -10.960 1.00 0.00 O ATOM 0 H1 SER A 1 66.136 13.614 -10.165 1.00 0.00 H new ATOM 0 H2 SER A 1 66.320 12.434 -8.957 1.00 0.00 H new ATOM 0 H3 SER A 1 67.530 13.601 -9.195 1.00 0.00 H new ATOM 0 HA SER A 1 67.283 12.458 -11.658 1.00 0.00 H new ATOM 0 HB2 SER A 1 69.448 13.010 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 1 69.206 12.164 -9.328 1.00 0.00 H new ATOM 0 HG SER A 1 70.547 10.954 -10.804 1.00 0.00 H new ATOM 14 N GLU A 2 67.231 9.833 -11.439 1.00 0.00 N ATOM 15 CA GLU A 2 66.748 8.423 -11.367 1.00 0.00 C ATOM 16 C GLU A 2 67.314 7.724 -10.134 1.00 0.00 C ATOM 17 O GLU A 2 66.638 6.949 -9.488 1.00 0.00 O ATOM 18 CB GLU A 2 67.210 7.683 -12.621 1.00 0.00 C ATOM 19 CG GLU A 2 66.432 8.196 -13.832 1.00 0.00 C ATOM 20 CD GLU A 2 66.944 7.503 -15.096 1.00 0.00 C ATOM 21 OE1 GLU A 2 67.928 6.787 -14.998 1.00 0.00 O ATOM 22 OE2 GLU A 2 66.347 7.703 -16.141 1.00 0.00 O ATOM 0 H GLU A 2 67.764 10.060 -12.278 1.00 0.00 H new ATOM 0 HA GLU A 2 65.660 8.420 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 2 68.279 7.834 -12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 2 67.053 6.611 -12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 2 65.367 8.001 -13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 2 66.550 9.276 -13.923 1.00 0.00 H new ATOM 29 N LEU A 3 68.541 7.988 -9.793 1.00 0.00 N ATOM 30 CA LEU A 3 69.131 7.335 -8.597 1.00 0.00 C ATOM 31 C LEU A 3 68.445 7.865 -7.335 1.00 0.00 C ATOM 32 O LEU A 3 68.285 7.154 -6.362 1.00 0.00 O ATOM 33 CB LEU A 3 70.638 7.636 -8.550 1.00 0.00 C ATOM 34 CG LEU A 3 71.302 6.938 -7.327 1.00 0.00 C ATOM 35 CD1 LEU A 3 72.685 6.401 -7.713 1.00 0.00 C ATOM 36 CD2 LEU A 3 71.481 7.932 -6.169 1.00 0.00 C ATOM 0 H LEU A 3 69.160 8.628 -10.291 1.00 0.00 H new ATOM 0 HA LEU A 3 68.983 6.256 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.111 7.294 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 3 70.797 8.713 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 3 70.652 6.120 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 3 73.140 5.915 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 3 72.582 5.680 -8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 3 73.317 7.226 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 3 71.947 7.426 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 3 72.116 8.757 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 3 70.508 8.320 -5.869 1.00 0.00 H new ATOM 48 N GLU A 4 68.043 9.110 -7.332 1.00 0.00 N ATOM 49 CA GLU A 4 67.379 9.674 -6.121 1.00 0.00 C ATOM 50 C GLU A 4 66.041 8.969 -5.878 1.00 0.00 C ATOM 51 O GLU A 4 65.676 8.682 -4.755 1.00 0.00 O ATOM 52 CB GLU A 4 67.120 11.167 -6.337 1.00 0.00 C ATOM 53 CG GLU A 4 68.447 11.929 -6.331 1.00 0.00 C ATOM 54 CD GLU A 4 68.189 13.403 -6.658 1.00 0.00 C ATOM 55 OE1 GLU A 4 67.030 13.770 -6.769 1.00 0.00 O ATOM 56 OE2 GLU A 4 69.153 14.137 -6.796 1.00 0.00 O ATOM 0 H GLU A 4 68.146 9.758 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 4 68.028 9.525 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 4 66.605 11.323 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 4 66.467 11.549 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 4 68.926 11.840 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 4 69.130 11.497 -7.062 1.00 0.00 H new ATOM 63 N LYS A 5 65.303 8.699 -6.919 1.00 0.00 N ATOM 64 CA LYS A 5 63.983 8.026 -6.749 1.00 0.00 C ATOM 65 C LYS A 5 64.177 6.665 -6.083 1.00 0.00 C ATOM 66 O LYS A 5 63.407 6.261 -5.234 1.00 0.00 O ATOM 67 CB LYS A 5 63.318 7.845 -8.120 1.00 0.00 C ATOM 68 CG LYS A 5 61.916 7.257 -7.941 1.00 0.00 C ATOM 69 CD LYS A 5 61.251 7.096 -9.311 1.00 0.00 C ATOM 70 CE LYS A 5 59.857 6.481 -9.144 1.00 0.00 C ATOM 71 NZ LYS A 5 59.282 6.186 -10.488 1.00 0.00 N ATOM 0 H LYS A 5 65.557 8.916 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 5 63.343 8.642 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 5 63.257 8.804 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 5 63.922 7.186 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 5 61.976 6.292 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 5 61.315 7.909 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 5 61.174 8.065 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 5 61.864 6.461 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 5 59.919 5.567 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 5 59.207 7.167 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 58.336 5.769 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 59.209 7.067 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 59.899 5.516 -10.990 1.00 0.00 H new ATOM 85 N ALA A 6 65.203 5.957 -6.457 1.00 0.00 N ATOM 86 CA ALA A 6 65.444 4.627 -5.836 1.00 0.00 C ATOM 87 C ALA A 6 65.637 4.804 -4.326 1.00 0.00 C ATOM 88 O ALA A 6 65.091 4.067 -3.530 1.00 0.00 O ATOM 89 CB ALA A 6 66.697 3.997 -6.449 1.00 0.00 C ATOM 0 H ALA A 6 65.883 6.240 -7.163 1.00 0.00 H new ATOM 0 HA ALA A 6 64.590 3.975 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 6 66.874 3.022 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 6 66.555 3.876 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 6 67.556 4.643 -6.267 1.00 0.00 H new ATOM 95 N MET A 7 66.408 5.780 -3.927 1.00 0.00 N ATOM 96 CA MET A 7 66.629 6.003 -2.469 1.00 0.00 C ATOM 97 C MET A 7 65.302 6.354 -1.788 1.00 0.00 C ATOM 98 O MET A 7 64.938 5.784 -0.779 1.00 0.00 O ATOM 99 CB MET A 7 67.604 7.168 -2.278 1.00 0.00 C ATOM 100 CG MET A 7 67.988 7.271 -0.802 1.00 0.00 C ATOM 101 SD MET A 7 69.117 8.668 -0.563 1.00 0.00 S ATOM 102 CE MET A 7 70.524 8.016 -1.497 1.00 0.00 C ATOM 0 H MET A 7 66.893 6.430 -4.545 1.00 0.00 H new ATOM 0 HA MET A 7 67.037 5.094 -2.027 1.00 0.00 H new ATOM 0 HB2 MET A 7 68.495 7.015 -2.887 1.00 0.00 H new ATOM 0 HB3 MET A 7 67.146 8.099 -2.612 1.00 0.00 H new ATOM 0 HG2 MET A 7 67.095 7.404 -0.192 1.00 0.00 H new ATOM 0 HG3 MET A 7 68.463 6.346 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 7 71.448 8.444 -1.109 1.00 0.00 H new ATOM 0 HE2 MET A 7 70.556 6.931 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 7 70.416 8.280 -2.549 1.00 0.00 H new ATOM 112 N VAL A 8 64.596 7.314 -2.321 1.00 0.00 N ATOM 113 CA VAL A 8 63.310 7.741 -1.699 1.00 0.00 C ATOM 114 C VAL A 8 62.321 6.573 -1.652 1.00 0.00 C ATOM 115 O VAL A 8 61.615 6.391 -0.679 1.00 0.00 O ATOM 116 CB VAL A 8 62.714 8.882 -2.532 1.00 0.00 C ATOM 117 CG1 VAL A 8 61.324 9.242 -2.002 1.00 0.00 C ATOM 118 CG2 VAL A 8 63.631 10.104 -2.442 1.00 0.00 C ATOM 0 H VAL A 8 64.856 7.824 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 8 63.499 8.076 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 8 62.627 8.565 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 8 60.906 10.053 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 8 60.673 8.371 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 8 61.402 9.559 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 8 63.211 10.918 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 8 63.718 10.418 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 8 64.618 9.847 -2.827 1.00 0.00 H new ATOM 128 N ALA A 9 62.253 5.782 -2.686 1.00 0.00 N ATOM 129 CA ALA A 9 61.295 4.640 -2.674 1.00 0.00 C ATOM 130 C ALA A 9 61.629 3.706 -1.508 1.00 0.00 C ATOM 131 O ALA A 9 60.755 3.201 -0.834 1.00 0.00 O ATOM 132 CB ALA A 9 61.391 3.868 -3.994 1.00 0.00 C ATOM 0 H ALA A 9 62.814 5.875 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 9 60.281 5.022 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 9 60.689 3.034 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 9 61.148 4.533 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 9 62.404 3.487 -4.120 1.00 0.00 H new ATOM 138 N LEU A 10 62.887 3.452 -1.286 1.00 0.00 N ATOM 139 CA LEU A 10 63.287 2.523 -0.190 1.00 0.00 C ATOM 140 C LEU A 10 62.793 3.047 1.166 1.00 0.00 C ATOM 141 O LEU A 10 62.250 2.303 1.959 1.00 0.00 O ATOM 142 CB LEU A 10 64.818 2.417 -0.173 1.00 0.00 C ATOM 143 CG LEU A 10 65.285 1.468 0.941 1.00 0.00 C ATOM 144 CD1 LEU A 10 64.704 0.061 0.716 1.00 0.00 C ATOM 145 CD2 LEU A 10 66.817 1.407 0.924 1.00 0.00 C ATOM 0 H LEU A 10 63.661 3.849 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 10 62.841 1.544 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.173 2.055 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.254 3.405 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 10 64.938 1.836 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 10 65.041 -0.603 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 10 63.615 0.112 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 10 65.043 -0.323 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 10 67.163 0.736 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 10 67.156 1.037 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 10 67.223 2.404 1.093 1.00 0.00 H new ATOM 157 N ILE A 11 62.972 4.307 1.449 1.00 0.00 N ATOM 158 CA ILE A 11 62.502 4.835 2.765 1.00 0.00 C ATOM 159 C ILE A 11 60.991 4.623 2.872 1.00 0.00 C ATOM 160 O ILE A 11 60.485 4.160 3.875 1.00 0.00 O ATOM 161 CB ILE A 11 62.825 6.328 2.859 1.00 0.00 C ATOM 162 CG1 ILE A 11 64.341 6.520 2.787 1.00 0.00 C ATOM 163 CG2 ILE A 11 62.305 6.885 4.188 1.00 0.00 C ATOM 164 CD1 ILE A 11 64.662 8.006 2.613 1.00 0.00 C ATOM 0 H ILE A 11 63.418 4.989 0.836 1.00 0.00 H new ATOM 0 HA ILE A 11 63.003 4.310 3.578 1.00 0.00 H new ATOM 0 HB ILE A 11 62.346 6.856 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 11 64.809 6.140 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 11 64.751 5.949 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 11 62.536 7.948 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 11 61.226 6.744 4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 11 62.783 6.359 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 11 65.742 8.141 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 11 64.207 8.371 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 11 64.266 8.565 3.461 1.00 0.00 H new ATOM 176 N ASP A 12 60.268 4.983 1.851 1.00 0.00 N ATOM 177 CA ASP A 12 58.786 4.829 1.901 1.00 0.00 C ATOM 178 C ASP A 12 58.444 3.357 2.149 1.00 0.00 C ATOM 179 O ASP A 12 57.549 3.036 2.905 1.00 0.00 O ATOM 180 CB ASP A 12 58.178 5.272 0.568 1.00 0.00 C ATOM 181 CG ASP A 12 56.652 5.180 0.649 1.00 0.00 C ATOM 182 OD1 ASP A 12 56.164 4.552 1.573 1.00 0.00 O ATOM 183 OD2 ASP A 12 55.998 5.743 -0.214 1.00 0.00 O ATOM 0 H ASP A 12 60.636 5.377 0.985 1.00 0.00 H new ATOM 0 HA ASP A 12 58.382 5.444 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 12 58.480 6.294 0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 12 58.549 4.642 -0.241 1.00 0.00 H new ATOM 188 N VAL A 13 59.160 2.461 1.531 1.00 0.00 N ATOM 189 CA VAL A 13 58.885 1.012 1.747 1.00 0.00 C ATOM 190 C VAL A 13 59.216 0.628 3.197 1.00 0.00 C ATOM 191 O VAL A 13 58.504 -0.124 3.827 1.00 0.00 O ATOM 192 CB VAL A 13 59.741 0.184 0.778 1.00 0.00 C ATOM 193 CG1 VAL A 13 59.688 -1.300 1.157 1.00 0.00 C ATOM 194 CG2 VAL A 13 59.197 0.350 -0.644 1.00 0.00 C ATOM 0 H VAL A 13 59.923 2.668 0.886 1.00 0.00 H new ATOM 0 HA VAL A 13 57.830 0.811 1.562 1.00 0.00 H new ATOM 0 HB VAL A 13 60.772 0.533 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 13 60.299 -1.875 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.070 -1.431 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 13 58.657 -1.651 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 13 59.802 -0.236 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 13 58.164 0.003 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 13 59.237 1.401 -0.928 1.00 0.00 H new ATOM 204 N PHE A 14 60.297 1.126 3.729 1.00 0.00 N ATOM 205 CA PHE A 14 60.666 0.768 5.131 1.00 0.00 C ATOM 206 C PHE A 14 59.559 1.198 6.101 1.00 0.00 C ATOM 207 O PHE A 14 59.087 0.418 6.905 1.00 0.00 O ATOM 208 CB PHE A 14 61.964 1.497 5.493 1.00 0.00 C ATOM 209 CG PHE A 14 62.424 1.114 6.885 1.00 0.00 C ATOM 210 CD1 PHE A 14 61.988 1.849 7.995 1.00 0.00 C ATOM 211 CD2 PHE A 14 63.301 0.035 7.063 1.00 0.00 C ATOM 212 CE1 PHE A 14 62.425 1.504 9.281 1.00 0.00 C ATOM 213 CE2 PHE A 14 63.741 -0.306 8.350 1.00 0.00 C ATOM 214 CZ PHE A 14 63.304 0.428 9.459 1.00 0.00 C ATOM 0 H PHE A 14 60.940 1.763 3.258 1.00 0.00 H new ATOM 0 HA PHE A 14 60.798 -0.311 5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 14 62.740 1.251 4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 14 61.809 2.575 5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 14 61.314 2.682 7.860 1.00 0.00 H new ATOM 0 HD2 PHE A 14 63.638 -0.534 6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 14 62.084 2.069 10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 14 64.418 -1.136 8.486 1.00 0.00 H new ATOM 0 HZ PHE A 14 63.644 0.165 10.450 1.00 0.00 H new ATOM 224 N HIS A 15 59.192 2.450 6.076 1.00 0.00 N ATOM 225 CA HIS A 15 58.177 2.962 7.042 1.00 0.00 C ATOM 226 C HIS A 15 56.834 2.242 6.916 1.00 0.00 C ATOM 227 O HIS A 15 56.193 1.965 7.911 1.00 0.00 O ATOM 228 CB HIS A 15 57.953 4.452 6.777 1.00 0.00 C ATOM 229 CG HIS A 15 56.929 4.981 7.744 1.00 0.00 C ATOM 230 ND1 HIS A 15 57.171 5.058 9.108 1.00 0.00 N ATOM 231 CD2 HIS A 15 55.652 5.452 7.561 1.00 0.00 C ATOM 232 CE1 HIS A 15 56.063 5.557 9.688 1.00 0.00 C ATOM 233 NE2 HIS A 15 55.112 5.813 8.789 1.00 0.00 N ATOM 0 H HIS A 15 59.554 3.145 5.424 1.00 0.00 H new ATOM 0 HA HIS A 15 58.560 2.784 8.047 1.00 0.00 H new ATOM 0 HB2 HIS A 15 58.890 4.998 6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 15 57.615 4.604 5.752 1.00 0.00 H new ATOM 0 HD2 HIS A 15 55.146 5.530 6.610 1.00 0.00 H new ATOM 0 HE1 HIS A 15 55.958 5.729 10.749 1.00 0.00 H new ATOM 0 HE2 HIS A 15 54.183 6.194 8.966 1.00 0.00 H new ATOM 242 N GLN A 16 56.372 1.951 5.736 1.00 0.00 N ATOM 243 CA GLN A 16 55.046 1.276 5.627 1.00 0.00 C ATOM 244 C GLN A 16 55.128 -0.155 6.161 1.00 0.00 C ATOM 245 O GLN A 16 54.229 -0.634 6.821 1.00 0.00 O ATOM 246 CB GLN A 16 54.622 1.247 4.159 1.00 0.00 C ATOM 247 CG GLN A 16 53.219 0.649 4.040 1.00 0.00 C ATOM 248 CD GLN A 16 52.750 0.739 2.587 1.00 0.00 C ATOM 249 OE1 GLN A 16 53.550 0.902 1.687 1.00 0.00 O ATOM 250 NE2 GLN A 16 51.477 0.641 2.316 1.00 0.00 N ATOM 0 H GLN A 16 56.843 2.146 4.853 1.00 0.00 H new ATOM 0 HA GLN A 16 54.315 1.828 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 16 54.634 2.256 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 16 55.330 0.657 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.226 -0.391 4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 16 52.527 1.184 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 16 50.804 0.504 3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 16 51.155 0.701 1.350 1.00 0.00 H new ATOM 259 N TYR A 17 56.197 -0.839 5.876 1.00 0.00 N ATOM 260 CA TYR A 17 56.331 -2.239 6.365 1.00 0.00 C ATOM 261 C TYR A 17 56.622 -2.245 7.870 1.00 0.00 C ATOM 262 O TYR A 17 56.095 -3.057 8.606 1.00 0.00 O ATOM 263 CB TYR A 17 57.464 -2.942 5.590 1.00 0.00 C ATOM 264 CG TYR A 17 56.906 -3.592 4.340 1.00 0.00 C ATOM 265 CD1 TYR A 17 56.778 -2.853 3.159 1.00 0.00 C ATOM 266 CD2 TYR A 17 56.513 -4.935 4.369 1.00 0.00 C ATOM 267 CE1 TYR A 17 56.258 -3.455 2.008 1.00 0.00 C ATOM 268 CE2 TYR A 17 55.993 -5.537 3.217 1.00 0.00 C ATOM 269 CZ TYR A 17 55.865 -4.797 2.037 1.00 0.00 C ATOM 270 OH TYR A 17 55.350 -5.390 0.902 1.00 0.00 O ATOM 0 H TYR A 17 56.983 -0.492 5.327 1.00 0.00 H new ATOM 0 HA TYR A 17 55.398 -2.776 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 17 58.236 -2.220 5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 17 57.937 -3.694 6.222 1.00 0.00 H new ATOM 0 HD1 TYR A 17 57.081 -1.817 3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 17 56.611 -5.507 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 17 56.160 -2.883 1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 17 55.690 -6.574 3.239 1.00 0.00 H new ATOM 0 HH TYR A 17 55.128 -6.325 1.093 1.00 0.00 H new ATOM 280 N SER A 18 57.463 -1.361 8.337 1.00 0.00 N ATOM 281 CA SER A 18 57.794 -1.334 9.792 1.00 0.00 C ATOM 282 C SER A 18 56.699 -0.621 10.591 1.00 0.00 C ATOM 283 O SER A 18 56.574 -0.810 11.785 1.00 0.00 O ATOM 284 CB SER A 18 59.113 -0.588 9.991 1.00 0.00 C ATOM 285 OG SER A 18 59.379 -0.472 11.383 1.00 0.00 O ATOM 0 H SER A 18 57.936 -0.655 7.773 1.00 0.00 H new ATOM 0 HA SER A 18 57.875 -2.361 10.147 1.00 0.00 H new ATOM 0 HB2 SER A 18 59.925 -1.122 9.497 1.00 0.00 H new ATOM 0 HB3 SER A 18 59.058 0.401 9.535 1.00 0.00 H new ATOM 0 HG SER A 18 59.385 0.474 11.637 1.00 0.00 H new ATOM 291 N GLY A 19 55.905 0.197 9.952 1.00 0.00 N ATOM 292 CA GLY A 19 54.822 0.922 10.684 1.00 0.00 C ATOM 293 C GLY A 19 53.534 0.098 10.663 1.00 0.00 C ATOM 294 O GLY A 19 52.465 0.601 10.945 1.00 0.00 O ATOM 0 H GLY A 19 55.959 0.395 8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 19 55.128 1.107 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 19 54.649 1.895 10.224 1.00 0.00 H new ATOM 298 N ARG A 20 53.618 -1.162 10.333 1.00 0.00 N ATOM 299 CA ARG A 20 52.390 -2.006 10.299 1.00 0.00 C ATOM 300 C ARG A 20 52.140 -2.589 11.693 1.00 0.00 C ATOM 301 O ARG A 20 51.085 -2.424 12.274 1.00 0.00 O ATOM 302 CB ARG A 20 52.594 -3.152 9.304 1.00 0.00 C ATOM 303 CG ARG A 20 51.258 -3.850 9.049 1.00 0.00 C ATOM 304 CD ARG A 20 51.460 -5.001 8.061 1.00 0.00 C ATOM 305 NE ARG A 20 50.152 -5.670 7.810 1.00 0.00 N ATOM 306 CZ ARG A 20 50.031 -6.522 6.828 1.00 0.00 C ATOM 307 NH1 ARG A 20 51.054 -6.787 6.061 1.00 0.00 N ATOM 308 NH2 ARG A 20 48.884 -7.105 6.614 1.00 0.00 N ATOM 0 H ARG A 20 54.483 -1.643 10.086 1.00 0.00 H new ATOM 0 HA ARG A 20 51.536 -1.401 9.994 1.00 0.00 H new ATOM 0 HB2 ARG A 20 53.000 -2.767 8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 20 53.319 -3.864 9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 20 50.850 -4.229 9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 20 50.535 -3.138 8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 20 51.874 -4.624 7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 20 52.177 -5.718 8.461 1.00 0.00 H new ATOM 0 HE ARG A 20 49.351 -5.462 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 20 51.949 -6.328 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 20 50.958 -7.453 5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 20 48.085 -6.895 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 20 48.786 -7.771 5.848 1.00 0.00 H new ATOM 322 N GLU A 21 53.125 -3.262 12.231 1.00 0.00 N ATOM 323 CA GLU A 21 52.999 -3.869 13.591 1.00 0.00 C ATOM 324 C GLU A 21 54.377 -3.914 14.251 1.00 0.00 C ATOM 325 O GLU A 21 55.396 -3.857 13.590 1.00 0.00 O ATOM 326 CB GLU A 21 52.451 -5.301 13.492 1.00 0.00 C ATOM 327 CG GLU A 21 50.954 -5.291 13.163 1.00 0.00 C ATOM 328 CD GLU A 21 50.172 -4.654 14.315 1.00 0.00 C ATOM 329 OE1 GLU A 21 50.256 -5.169 15.418 1.00 0.00 O ATOM 330 OE2 GLU A 21 49.502 -3.664 14.074 1.00 0.00 O ATOM 0 H GLU A 21 54.025 -3.419 11.778 1.00 0.00 H new ATOM 0 HA GLU A 21 52.313 -3.263 14.183 1.00 0.00 H new ATOM 0 HB2 GLU A 21 52.993 -5.850 12.722 1.00 0.00 H new ATOM 0 HB3 GLU A 21 52.617 -5.824 14.434 1.00 0.00 H new ATOM 0 HG2 GLU A 21 50.779 -4.735 12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 21 50.603 -6.309 12.993 1.00 0.00 H new ATOM 337 N GLY A 22 54.420 -4.031 15.549 1.00 0.00 N ATOM 338 CA GLY A 22 55.735 -4.097 16.247 1.00 0.00 C ATOM 339 C GLY A 22 56.327 -2.693 16.375 1.00 0.00 C ATOM 340 O GLY A 22 55.628 -1.701 16.314 1.00 0.00 O ATOM 0 H GLY A 22 53.602 -4.084 16.157 1.00 0.00 H new ATOM 0 HA2 GLY A 22 55.610 -4.540 17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 22 56.419 -4.740 15.693 1.00 0.00 H new ATOM 344 N ASP A 23 57.617 -2.608 16.553 1.00 0.00 N ATOM 345 CA ASP A 23 58.276 -1.280 16.688 1.00 0.00 C ATOM 346 C ASP A 23 58.065 -0.469 15.407 1.00 0.00 C ATOM 347 O ASP A 23 58.153 -0.985 14.311 1.00 0.00 O ATOM 348 CB ASP A 23 59.768 -1.495 16.916 1.00 0.00 C ATOM 349 CG ASP A 23 59.991 -2.086 18.310 1.00 0.00 C ATOM 350 OD1 ASP A 23 59.231 -1.752 19.202 1.00 0.00 O ATOM 351 OD2 ASP A 23 60.916 -2.869 18.458 1.00 0.00 O ATOM 0 H ASP A 23 58.247 -3.408 16.611 1.00 0.00 H new ATOM 0 HA ASP A 23 57.846 -0.736 17.529 1.00 0.00 H new ATOM 0 HB2 ASP A 23 60.170 -2.166 16.156 1.00 0.00 H new ATOM 0 HB3 ASP A 23 60.301 -0.549 16.821 1.00 0.00 H new ATOM 356 N LYS A 24 57.775 0.796 15.540 1.00 0.00 N ATOM 357 CA LYS A 24 57.541 1.643 14.337 1.00 0.00 C ATOM 358 C LYS A 24 58.840 1.846 13.546 1.00 0.00 C ATOM 359 O LYS A 24 58.829 1.861 12.331 1.00 0.00 O ATOM 360 CB LYS A 24 56.996 3.008 14.778 1.00 0.00 C ATOM 361 CG LYS A 24 56.649 3.858 13.545 1.00 0.00 C ATOM 362 CD LYS A 24 56.169 5.252 13.980 1.00 0.00 C ATOM 363 CE LYS A 24 54.698 5.203 14.405 1.00 0.00 C ATOM 364 NZ LYS A 24 54.211 6.588 14.657 1.00 0.00 N ATOM 0 H LYS A 24 57.690 1.281 16.433 1.00 0.00 H new ATOM 0 HA LYS A 24 56.820 1.139 13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 56.110 2.872 15.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 57.736 3.524 15.389 1.00 0.00 H new ATOM 0 HG2 LYS A 24 57.523 3.951 12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 55.873 3.364 12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 24 56.781 5.612 14.807 1.00 0.00 H new ATOM 0 HD3 LYS A 24 56.294 5.959 13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 24 54.098 4.731 13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 24 54.588 4.597 15.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 53.212 6.558 14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 54.777 7.023 15.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 54.303 7.152 13.788 1.00 0.00 H new ATOM 378 N HIS A 25 59.954 2.043 14.209 1.00 0.00 N ATOM 379 CA HIS A 25 61.237 2.290 13.480 1.00 0.00 C ATOM 380 C HIS A 25 62.106 1.024 13.417 1.00 0.00 C ATOM 381 O HIS A 25 62.987 0.921 12.587 1.00 0.00 O ATOM 382 CB HIS A 25 62.008 3.379 14.229 1.00 0.00 C ATOM 383 CG HIS A 25 61.145 4.606 14.352 1.00 0.00 C ATOM 384 ND1 HIS A 25 60.964 5.490 13.298 1.00 0.00 N ATOM 385 CD2 HIS A 25 60.395 5.104 15.392 1.00 0.00 C ATOM 386 CE1 HIS A 25 60.136 6.465 13.722 1.00 0.00 C ATOM 387 NE2 HIS A 25 59.762 6.274 14.988 1.00 0.00 N ATOM 0 H HIS A 25 60.030 2.043 15.226 1.00 0.00 H new ATOM 0 HA HIS A 25 61.006 2.593 12.459 1.00 0.00 H new ATOM 0 HB2 HIS A 25 62.295 3.022 15.218 1.00 0.00 H new ATOM 0 HB3 HIS A 25 62.928 3.620 13.697 1.00 0.00 H new ATOM 0 HD2 HIS A 25 60.311 4.656 16.371 1.00 0.00 H new ATOM 0 HE1 HIS A 25 59.815 7.297 13.113 1.00 0.00 H new ATOM 0 HE2 HIS A 25 59.142 6.863 15.543 1.00 0.00 H new ATOM 396 N LYS A 26 61.889 0.075 14.296 1.00 0.00 N ATOM 397 CA LYS A 26 62.730 -1.172 14.298 1.00 0.00 C ATOM 398 C LYS A 26 61.927 -2.365 13.772 1.00 0.00 C ATOM 399 O LYS A 26 60.721 -2.426 13.903 1.00 0.00 O ATOM 400 CB LYS A 26 63.196 -1.461 15.724 1.00 0.00 C ATOM 401 CG LYS A 26 64.082 -0.316 16.204 1.00 0.00 C ATOM 402 CD LYS A 26 64.548 -0.601 17.628 1.00 0.00 C ATOM 403 CE LYS A 26 65.436 0.546 18.109 1.00 0.00 C ATOM 404 NZ LYS A 26 66.577 0.717 17.166 1.00 0.00 N ATOM 0 H LYS A 26 61.166 0.107 15.014 1.00 0.00 H new ATOM 0 HA LYS A 26 63.591 -1.018 13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 26 62.336 -1.573 16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 26 63.747 -2.401 15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 26 64.942 -0.205 15.543 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.531 0.624 16.171 1.00 0.00 H new ATOM 0 HD2 LYS A 26 63.688 -0.712 18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 26 65.099 -1.541 17.661 1.00 0.00 H new ATOM 0 HE2 LYS A 26 64.858 1.468 18.169 1.00 0.00 H new ATOM 0 HE3 LYS A 26 65.807 0.337 19.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 67.350 1.221 17.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 66.913 -0.217 16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 66.265 1.266 16.340 1.00 0.00 H new ATOM 418 N LEU A 27 62.598 -3.305 13.151 1.00 0.00 N ATOM 419 CA LEU A 27 61.898 -4.497 12.580 1.00 0.00 C ATOM 420 C LEU A 27 61.977 -5.679 13.555 1.00 0.00 C ATOM 421 O LEU A 27 63.044 -6.099 13.960 1.00 0.00 O ATOM 422 CB LEU A 27 62.582 -4.898 11.261 1.00 0.00 C ATOM 423 CG LEU A 27 62.169 -3.963 10.107 1.00 0.00 C ATOM 424 CD1 LEU A 27 60.748 -4.286 9.625 1.00 0.00 C ATOM 425 CD2 LEU A 27 62.228 -2.502 10.560 1.00 0.00 C ATOM 0 H LEU A 27 63.609 -3.297 13.015 1.00 0.00 H new ATOM 0 HA LEU A 27 60.852 -4.243 12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 27 63.664 -4.867 11.387 1.00 0.00 H new ATOM 0 HB3 LEU A 27 62.319 -5.926 11.011 1.00 0.00 H new ATOM 0 HG LEU A 27 62.867 -4.118 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 27 60.478 -3.614 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 27 60.709 -5.317 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 27 60.046 -4.157 10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 61.934 -1.853 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 27 61.548 -2.353 11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 27 63.244 -2.258 10.869 1.00 0.00 H new ATOM 437 N LYS A 28 60.848 -6.231 13.908 1.00 0.00 N ATOM 438 CA LYS A 28 60.831 -7.406 14.830 1.00 0.00 C ATOM 439 C LYS A 28 61.046 -8.677 13.993 1.00 0.00 C ATOM 440 O LYS A 28 60.858 -8.668 12.793 1.00 0.00 O ATOM 441 CB LYS A 28 59.477 -7.474 15.544 1.00 0.00 C ATOM 442 CG LYS A 28 59.538 -8.496 16.682 1.00 0.00 C ATOM 443 CD LYS A 28 58.181 -8.555 17.388 1.00 0.00 C ATOM 444 CE LYS A 28 58.247 -9.545 18.554 1.00 0.00 C ATOM 445 NZ LYS A 28 56.964 -9.505 19.314 1.00 0.00 N ATOM 0 H LYS A 28 59.929 -5.917 13.596 1.00 0.00 H new ATOM 0 HA LYS A 28 61.618 -7.315 15.578 1.00 0.00 H new ATOM 0 HB2 LYS A 28 59.215 -6.492 15.939 1.00 0.00 H new ATOM 0 HB3 LYS A 28 58.696 -7.752 14.836 1.00 0.00 H new ATOM 0 HG2 LYS A 28 59.799 -9.479 16.289 1.00 0.00 H new ATOM 0 HG3 LYS A 28 60.318 -8.220 17.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 57.908 -7.565 17.754 1.00 0.00 H new ATOM 0 HD3 LYS A 28 57.407 -8.859 16.684 1.00 0.00 H new ATOM 0 HE2 LYS A 28 58.429 -10.552 18.180 1.00 0.00 H new ATOM 0 HE3 LYS A 28 59.079 -9.294 19.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 57.009 -10.177 20.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 56.809 -8.545 19.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 56.179 -9.765 18.683 1.00 0.00 H new ATOM 459 N LYS A 29 61.456 -9.764 14.596 1.00 0.00 N ATOM 460 CA LYS A 29 61.693 -11.003 13.795 1.00 0.00 C ATOM 461 C LYS A 29 60.443 -11.337 12.970 1.00 0.00 C ATOM 462 O LYS A 29 60.534 -11.693 11.813 1.00 0.00 O ATOM 463 CB LYS A 29 62.019 -12.175 14.736 1.00 0.00 C ATOM 464 CG LYS A 29 60.773 -12.584 15.530 1.00 0.00 C ATOM 465 CD LYS A 29 61.164 -13.581 16.632 1.00 0.00 C ATOM 466 CE LYS A 29 61.987 -12.886 17.735 1.00 0.00 C ATOM 467 NZ LYS A 29 63.440 -13.016 17.426 1.00 0.00 N ATOM 0 H LYS A 29 61.635 -9.848 15.597 1.00 0.00 H new ATOM 0 HA LYS A 29 62.534 -10.837 13.121 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.384 -13.024 14.158 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.817 -11.889 15.421 1.00 0.00 H new ATOM 0 HG2 LYS A 29 60.307 -11.704 15.972 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.037 -13.034 14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.266 -14.021 17.065 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.743 -14.398 16.201 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.711 -11.834 17.801 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.769 -13.335 18.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.912 -13.539 18.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.560 -13.530 16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.863 -12.070 17.341 1.00 0.00 H new ATOM 481 N SER A 30 59.280 -11.213 13.548 1.00 0.00 N ATOM 482 CA SER A 30 58.032 -11.510 12.786 1.00 0.00 C ATOM 483 C SER A 30 57.902 -10.510 11.634 1.00 0.00 C ATOM 484 O SER A 30 57.490 -10.846 10.542 1.00 0.00 O ATOM 485 CB SER A 30 56.824 -11.386 13.715 1.00 0.00 C ATOM 486 OG SER A 30 56.665 -10.027 14.100 1.00 0.00 O ATOM 0 H SER A 30 59.139 -10.919 14.514 1.00 0.00 H new ATOM 0 HA SER A 30 58.074 -12.524 12.388 1.00 0.00 H new ATOM 0 HB2 SER A 30 55.925 -11.741 13.211 1.00 0.00 H new ATOM 0 HB3 SER A 30 56.963 -12.012 14.597 1.00 0.00 H new ATOM 0 HG SER A 30 55.890 -9.944 14.694 1.00 0.00 H new ATOM 492 N GLU A 31 58.270 -9.286 11.881 1.00 0.00 N ATOM 493 CA GLU A 31 58.198 -8.242 10.818 1.00 0.00 C ATOM 494 C GLU A 31 59.244 -8.553 9.746 1.00 0.00 C ATOM 495 O GLU A 31 59.015 -8.401 8.563 1.00 0.00 O ATOM 496 CB GLU A 31 58.502 -6.874 11.428 1.00 0.00 C ATOM 497 CG GLU A 31 57.351 -6.447 12.337 1.00 0.00 C ATOM 498 CD GLU A 31 57.704 -5.121 13.009 1.00 0.00 C ATOM 499 OE1 GLU A 31 57.443 -4.090 12.412 1.00 0.00 O ATOM 500 OE2 GLU A 31 58.234 -5.157 14.108 1.00 0.00 O ATOM 0 H GLU A 31 58.621 -8.959 12.781 1.00 0.00 H new ATOM 0 HA GLU A 31 57.201 -8.233 10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.431 -6.917 11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.647 -6.137 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.434 -6.341 11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.165 -7.212 13.091 1.00 0.00 H new ATOM 507 N LEU A 32 60.396 -8.986 10.174 1.00 0.00 N ATOM 508 CA LEU A 32 61.489 -9.314 9.216 1.00 0.00 C ATOM 509 C LEU A 32 61.083 -10.535 8.384 1.00 0.00 C ATOM 510 O LEU A 32 61.238 -10.560 7.180 1.00 0.00 O ATOM 511 CB LEU A 32 62.767 -9.607 10.012 1.00 0.00 C ATOM 512 CG LEU A 32 64.009 -9.520 9.107 1.00 0.00 C ATOM 513 CD1 LEU A 32 65.260 -9.460 9.991 1.00 0.00 C ATOM 514 CD2 LEU A 32 64.089 -10.739 8.161 1.00 0.00 C ATOM 0 H LEU A 32 60.630 -9.128 11.157 1.00 0.00 H new ATOM 0 HA LEU A 32 61.669 -8.477 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 32 62.860 -8.896 10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 32 62.704 -10.601 10.456 1.00 0.00 H new ATOM 0 HG LEU A 32 63.941 -8.622 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 66.148 -9.398 9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 65.209 -8.581 10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 32 65.314 -10.358 10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 32 64.975 -10.654 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 32 64.149 -11.654 8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 32 63.199 -10.770 7.532 1.00 0.00 H new ATOM 526 N LYS A 33 60.550 -11.542 9.016 1.00 0.00 N ATOM 527 CA LYS A 33 60.118 -12.758 8.267 1.00 0.00 C ATOM 528 C LYS A 33 59.029 -12.375 7.255 1.00 0.00 C ATOM 529 O LYS A 33 59.004 -12.855 6.140 1.00 0.00 O ATOM 530 CB LYS A 33 59.571 -13.786 9.265 1.00 0.00 C ATOM 531 CG LYS A 33 59.126 -15.055 8.532 1.00 0.00 C ATOM 532 CD LYS A 33 58.604 -16.072 9.552 1.00 0.00 C ATOM 533 CE LYS A 33 58.193 -17.358 8.833 1.00 0.00 C ATOM 534 NZ LYS A 33 57.038 -17.080 7.935 1.00 0.00 N ATOM 0 H LYS A 33 60.394 -11.577 10.023 1.00 0.00 H new ATOM 0 HA LYS A 33 60.964 -13.187 7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 33 60.337 -14.032 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.730 -13.360 9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.347 -14.816 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.961 -15.478 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 33 59.375 -16.288 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.752 -15.657 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 33 59.031 -17.747 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.925 -18.124 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 56.569 -17.974 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 56.362 -16.458 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 57.376 -16.614 7.069 1.00 0.00 H new ATOM 548 N GLU A 34 58.129 -11.512 7.644 1.00 0.00 N ATOM 549 CA GLU A 34 57.038 -11.096 6.715 1.00 0.00 C ATOM 550 C GLU A 34 57.640 -10.450 5.465 1.00 0.00 C ATOM 551 O GLU A 34 57.212 -10.700 4.356 1.00 0.00 O ATOM 552 CB GLU A 34 56.117 -10.091 7.417 1.00 0.00 C ATOM 553 CG GLU A 34 54.983 -9.675 6.473 1.00 0.00 C ATOM 554 CD GLU A 34 54.044 -8.708 7.195 1.00 0.00 C ATOM 555 OE1 GLU A 34 54.209 -8.534 8.392 1.00 0.00 O ATOM 556 OE2 GLU A 34 53.172 -8.161 6.541 1.00 0.00 O ATOM 0 H GLU A 34 58.102 -11.077 8.566 1.00 0.00 H new ATOM 0 HA GLU A 34 56.462 -11.975 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 34 55.704 -10.534 8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 34 56.687 -9.214 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 34 55.394 -9.201 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 34 54.431 -10.554 6.141 1.00 0.00 H new ATOM 563 N LEU A 35 58.610 -9.601 5.642 1.00 0.00 N ATOM 564 CA LEU A 35 59.226 -8.906 4.475 1.00 0.00 C ATOM 565 C LEU A 35 59.821 -9.940 3.512 1.00 0.00 C ATOM 566 O LEU A 35 59.669 -9.845 2.310 1.00 0.00 O ATOM 567 CB LEU A 35 60.342 -7.986 4.998 1.00 0.00 C ATOM 568 CG LEU A 35 60.989 -7.187 3.854 1.00 0.00 C ATOM 569 CD1 LEU A 35 60.016 -6.116 3.334 1.00 0.00 C ATOM 570 CD2 LEU A 35 62.258 -6.506 4.378 1.00 0.00 C ATOM 0 H LEU A 35 59.007 -9.355 6.549 1.00 0.00 H new ATOM 0 HA LEU A 35 58.473 -8.323 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.933 -7.299 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 35 61.102 -8.583 5.503 1.00 0.00 H new ATOM 0 HG LEU A 35 61.235 -7.866 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.487 -5.558 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.110 -6.596 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 35 59.760 -5.433 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.724 -5.937 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.999 -5.833 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.955 -7.263 4.738 1.00 0.00 H new ATOM 582 N ILE A 36 60.501 -10.923 4.028 1.00 0.00 N ATOM 583 CA ILE A 36 61.111 -11.959 3.146 1.00 0.00 C ATOM 584 C ILE A 36 60.022 -12.671 2.332 1.00 0.00 C ATOM 585 O ILE A 36 60.138 -12.843 1.135 1.00 0.00 O ATOM 586 CB ILE A 36 61.857 -12.976 4.018 1.00 0.00 C ATOM 587 CG1 ILE A 36 63.098 -12.308 4.621 1.00 0.00 C ATOM 588 CG2 ILE A 36 62.290 -14.175 3.170 1.00 0.00 C ATOM 589 CD1 ILE A 36 63.709 -13.211 5.702 1.00 0.00 C ATOM 0 H ILE A 36 60.662 -11.056 5.026 1.00 0.00 H new ATOM 0 HA ILE A 36 61.806 -11.484 2.454 1.00 0.00 H new ATOM 0 HB ILE A 36 61.196 -13.321 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 63.833 -12.115 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.829 -11.343 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.819 -14.892 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.410 -14.651 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.949 -13.836 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.590 -12.728 6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.976 -13.382 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.995 -14.165 5.260 1.00 0.00 H new ATOM 601 N ASN A 37 58.981 -13.110 2.982 1.00 0.00 N ATOM 602 CA ASN A 37 57.896 -13.838 2.265 1.00 0.00 C ATOM 603 C ASN A 37 57.261 -12.957 1.180 1.00 0.00 C ATOM 604 O ASN A 37 56.940 -13.421 0.105 1.00 0.00 O ATOM 605 CB ASN A 37 56.823 -14.250 3.276 1.00 0.00 C ATOM 606 CG ASN A 37 55.703 -15.006 2.557 1.00 0.00 C ATOM 607 OD1 ASN A 37 55.883 -15.467 1.448 1.00 0.00 O ATOM 608 ND2 ASN A 37 54.549 -15.159 3.148 1.00 0.00 N ATOM 0 H ASN A 37 58.834 -12.995 3.985 1.00 0.00 H new ATOM 0 HA ASN A 37 58.324 -14.717 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.261 -14.879 4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.419 -13.368 3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 37 53.799 -15.666 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 37 54.398 -14.772 4.079 1.00 0.00 H new ATOM 615 N ASN A 38 57.056 -11.696 1.458 1.00 0.00 N ATOM 616 CA ASN A 38 56.416 -10.802 0.441 1.00 0.00 C ATOM 617 C ASN A 38 57.468 -10.118 -0.438 1.00 0.00 C ATOM 618 O ASN A 38 57.195 -9.754 -1.565 1.00 0.00 O ATOM 619 CB ASN A 38 55.587 -9.733 1.158 1.00 0.00 C ATOM 620 CG ASN A 38 56.483 -8.938 2.108 1.00 0.00 C ATOM 621 OD1 ASN A 38 57.544 -8.341 1.640 1.00 0.00 O flip ATOM 622 ND2 ASN A 38 56.213 -8.858 3.289 1.00 0.00 N flip ATOM 0 H ASN A 38 57.302 -11.246 2.340 1.00 0.00 H new ATOM 0 HA ASN A 38 55.778 -11.412 -0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 38 55.129 -9.064 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 38 54.775 -10.201 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 38 55.383 -9.325 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 38 56.816 -8.324 3.915 1.00 0.00 H new ATOM 629 N GLU A 39 58.658 -9.912 0.062 1.00 0.00 N ATOM 630 CA GLU A 39 59.702 -9.224 -0.762 1.00 0.00 C ATOM 631 C GLU A 39 60.513 -10.247 -1.570 1.00 0.00 C ATOM 632 O GLU A 39 60.335 -10.391 -2.763 1.00 0.00 O ATOM 633 CB GLU A 39 60.634 -8.427 0.162 1.00 0.00 C ATOM 634 CG GLU A 39 61.346 -7.329 -0.636 1.00 0.00 C ATOM 635 CD GLU A 39 60.370 -6.183 -0.914 1.00 0.00 C ATOM 636 OE1 GLU A 39 59.977 -5.522 0.034 1.00 0.00 O ATOM 637 OE2 GLU A 39 60.030 -5.988 -2.069 1.00 0.00 O ATOM 0 H GLU A 39 58.953 -10.187 0.999 1.00 0.00 H new ATOM 0 HA GLU A 39 59.213 -8.546 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 39 60.061 -7.983 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 39 61.368 -9.093 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 39 62.207 -6.960 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 39 61.724 -7.734 -1.575 1.00 0.00 H new ATOM 644 N LEU A 40 61.419 -10.938 -0.932 1.00 0.00 N ATOM 645 CA LEU A 40 62.266 -11.931 -1.661 1.00 0.00 C ATOM 646 C LEU A 40 61.507 -13.252 -1.834 1.00 0.00 C ATOM 647 O LEU A 40 60.966 -13.796 -0.892 1.00 0.00 O ATOM 648 CB LEU A 40 63.554 -12.176 -0.855 1.00 0.00 C ATOM 649 CG LEU A 40 64.563 -11.047 -1.100 1.00 0.00 C ATOM 650 CD1 LEU A 40 64.069 -9.752 -0.450 1.00 0.00 C ATOM 651 CD2 LEU A 40 65.907 -11.436 -0.483 1.00 0.00 C ATOM 0 H LEU A 40 61.611 -10.858 0.067 1.00 0.00 H new ATOM 0 HA LEU A 40 62.513 -11.539 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 40 63.319 -12.238 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 40 63.993 -13.132 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 40 64.673 -10.890 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 40 64.792 -8.956 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 40 63.107 -9.473 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 40 63.955 -9.904 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 66.630 -10.638 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 40 65.784 -11.592 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 40 66.267 -12.356 -0.944 1.00 0.00 H new ATOM 663 N SER A 41 61.476 -13.774 -3.041 1.00 0.00 N ATOM 664 CA SER A 41 60.767 -15.069 -3.306 1.00 0.00 C ATOM 665 C SER A 41 61.701 -16.016 -4.072 1.00 0.00 C ATOM 666 O SER A 41 61.981 -17.112 -3.629 1.00 0.00 O ATOM 667 CB SER A 41 59.510 -14.804 -4.140 1.00 0.00 C ATOM 668 OG SER A 41 59.857 -14.766 -5.518 1.00 0.00 O ATOM 0 H SER A 41 61.916 -13.354 -3.860 1.00 0.00 H new ATOM 0 HA SER A 41 60.482 -15.527 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 41 58.770 -15.584 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 41 59.055 -13.859 -3.842 1.00 0.00 H new ATOM 0 HG SER A 41 60.207 -13.879 -5.743 1.00 0.00 H new ATOM 674 N HIS A 42 62.180 -15.612 -5.224 1.00 0.00 N ATOM 675 CA HIS A 42 63.087 -16.504 -6.014 1.00 0.00 C ATOM 676 C HIS A 42 64.540 -16.340 -5.547 1.00 0.00 C ATOM 677 O HIS A 42 65.431 -17.004 -6.038 1.00 0.00 O ATOM 678 CB HIS A 42 62.976 -16.163 -7.507 1.00 0.00 C ATOM 679 CG HIS A 42 62.852 -14.676 -7.684 1.00 0.00 C ATOM 680 ND1 HIS A 42 63.125 -13.779 -6.661 1.00 0.00 N ATOM 681 CD2 HIS A 42 62.472 -13.914 -8.762 1.00 0.00 C ATOM 682 CE1 HIS A 42 62.907 -12.540 -7.141 1.00 0.00 C ATOM 683 NE2 HIS A 42 62.508 -12.569 -8.414 1.00 0.00 N ATOM 0 H HIS A 42 61.983 -14.707 -5.650 1.00 0.00 H new ATOM 0 HA HIS A 42 62.786 -17.540 -5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 42 63.854 -16.529 -8.039 1.00 0.00 H new ATOM 0 HB3 HIS A 42 62.110 -16.663 -7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 42 62.189 -14.300 -9.730 1.00 0.00 H new ATOM 0 HE1 HIS A 42 63.039 -11.635 -6.567 1.00 0.00 H new ATOM 0 HE2 HIS A 42 62.278 -11.772 -9.007 1.00 0.00 H new ATOM 692 N PHE A 43 64.788 -15.466 -4.606 1.00 0.00 N ATOM 693 CA PHE A 43 66.190 -15.267 -4.115 1.00 0.00 C ATOM 694 C PHE A 43 66.391 -16.062 -2.824 1.00 0.00 C ATOM 695 O PHE A 43 67.467 -16.089 -2.261 1.00 0.00 O ATOM 696 CB PHE A 43 66.430 -13.778 -3.833 1.00 0.00 C ATOM 697 CG PHE A 43 66.618 -13.034 -5.136 1.00 0.00 C ATOM 698 CD1 PHE A 43 67.759 -13.271 -5.913 1.00 0.00 C ATOM 699 CD2 PHE A 43 65.661 -12.105 -5.567 1.00 0.00 C ATOM 700 CE1 PHE A 43 67.944 -12.582 -7.116 1.00 0.00 C ATOM 701 CE2 PHE A 43 65.846 -11.416 -6.773 1.00 0.00 C ATOM 702 CZ PHE A 43 66.988 -11.655 -7.547 1.00 0.00 C ATOM 0 H PHE A 43 64.084 -14.881 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 43 66.892 -15.612 -4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 43 65.585 -13.362 -3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 43 67.311 -13.655 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 43 68.497 -13.987 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 43 64.781 -11.920 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 43 68.825 -12.765 -7.713 1.00 0.00 H new ATOM 0 HE2 PHE A 43 65.108 -10.701 -7.105 1.00 0.00 H new ATOM 0 HZ PHE A 43 67.131 -11.124 -8.477 1.00 0.00 H new ATOM 712 N LEU A 44 65.365 -16.723 -2.358 1.00 0.00 N ATOM 713 CA LEU A 44 65.485 -17.540 -1.110 1.00 0.00 C ATOM 714 C LEU A 44 64.636 -18.804 -1.264 1.00 0.00 C ATOM 715 O LEU A 44 63.636 -18.812 -1.955 1.00 0.00 O ATOM 716 CB LEU A 44 64.997 -16.725 0.097 1.00 0.00 C ATOM 717 CG LEU A 44 65.992 -15.592 0.422 1.00 0.00 C ATOM 718 CD1 LEU A 44 65.362 -14.643 1.450 1.00 0.00 C ATOM 719 CD2 LEU A 44 67.303 -16.172 0.995 1.00 0.00 C ATOM 0 H LEU A 44 64.441 -16.733 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 44 66.527 -17.814 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 44 64.014 -16.304 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 44 64.885 -17.378 0.963 1.00 0.00 H new ATOM 0 HG LEU A 44 66.220 -15.049 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 44 66.063 -13.841 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 44 64.446 -14.217 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 44 65.129 -15.196 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 67.993 -15.359 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 44 67.087 -16.726 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.755 -16.841 0.263 1.00 0.00 H new ATOM 731 N GLU A 45 65.030 -19.875 -0.632 1.00 0.00 N ATOM 732 CA GLU A 45 64.252 -21.143 -0.752 1.00 0.00 C ATOM 733 C GLU A 45 62.939 -21.022 0.030 1.00 0.00 C ATOM 734 O GLU A 45 61.896 -20.767 -0.537 1.00 0.00 O ATOM 735 CB GLU A 45 65.082 -22.299 -0.192 1.00 0.00 C ATOM 736 CG GLU A 45 66.260 -22.578 -1.129 1.00 0.00 C ATOM 737 CD GLU A 45 67.100 -23.730 -0.573 1.00 0.00 C ATOM 738 OE1 GLU A 45 66.821 -24.160 0.533 1.00 0.00 O ATOM 739 OE2 GLU A 45 68.013 -24.156 -1.261 1.00 0.00 O ATOM 0 H GLU A 45 65.857 -19.928 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 45 64.024 -21.332 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 45 65.447 -22.050 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 45 64.463 -23.191 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 45 65.894 -22.830 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 45 66.875 -21.684 -1.232 1.00 0.00 H new ATOM 746 N GLU A 46 62.977 -21.202 1.322 1.00 0.00 N ATOM 747 CA GLU A 46 61.720 -21.093 2.119 1.00 0.00 C ATOM 748 C GLU A 46 62.049 -21.130 3.612 1.00 0.00 C ATOM 749 O GLU A 46 62.840 -21.934 4.063 1.00 0.00 O ATOM 750 CB GLU A 46 60.787 -22.259 1.778 1.00 0.00 C ATOM 751 CG GLU A 46 59.487 -22.120 2.574 1.00 0.00 C ATOM 752 CD GLU A 46 58.474 -23.158 2.084 1.00 0.00 C ATOM 753 OE1 GLU A 46 58.811 -23.908 1.184 1.00 0.00 O ATOM 754 OE2 GLU A 46 57.376 -23.180 2.617 1.00 0.00 O ATOM 0 H GLU A 46 63.817 -21.418 1.858 1.00 0.00 H new ATOM 0 HA GLU A 46 61.228 -20.151 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 46 60.573 -22.267 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 46 61.271 -23.207 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 46 59.682 -22.261 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 46 59.081 -21.116 2.455 1.00 0.00 H new ATOM 761 N ILE A 47 61.443 -20.270 4.388 1.00 0.00 N ATOM 762 CA ILE A 47 61.720 -20.272 5.853 1.00 0.00 C ATOM 763 C ILE A 47 60.849 -21.345 6.507 1.00 0.00 C ATOM 764 O ILE A 47 59.646 -21.207 6.603 1.00 0.00 O ATOM 765 CB ILE A 47 61.367 -18.901 6.444 1.00 0.00 C ATOM 766 CG1 ILE A 47 62.165 -17.794 5.733 1.00 0.00 C ATOM 767 CG2 ILE A 47 61.684 -18.887 7.942 1.00 0.00 C ATOM 768 CD1 ILE A 47 63.673 -18.083 5.783 1.00 0.00 C ATOM 0 H ILE A 47 60.772 -19.570 4.072 1.00 0.00 H new ATOM 0 HA ILE A 47 62.775 -20.479 6.035 1.00 0.00 H new ATOM 0 HB ILE A 47 60.303 -18.717 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 47 61.840 -17.716 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 47 61.960 -16.833 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.432 -17.912 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.100 -19.658 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 47 62.746 -19.082 8.091 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.213 -17.285 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.999 -18.136 6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.878 -19.033 5.289 1.00 0.00 H new ATOM 780 N LYS A 48 61.445 -22.421 6.949 1.00 0.00 N ATOM 781 CA LYS A 48 60.648 -23.513 7.584 1.00 0.00 C ATOM 782 C LYS A 48 60.529 -23.272 9.089 1.00 0.00 C ATOM 783 O LYS A 48 59.489 -22.894 9.589 1.00 0.00 O ATOM 784 CB LYS A 48 61.352 -24.851 7.348 1.00 0.00 C ATOM 785 CG LYS A 48 60.449 -25.993 7.821 1.00 0.00 C ATOM 786 CD LYS A 48 61.156 -27.331 7.596 1.00 0.00 C ATOM 787 CE LYS A 48 60.256 -28.470 8.079 1.00 0.00 C ATOM 788 NZ LYS A 48 60.935 -29.776 7.839 1.00 0.00 N ATOM 0 H LYS A 48 62.449 -22.591 6.898 1.00 0.00 H new ATOM 0 HA LYS A 48 59.651 -23.529 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 48 61.583 -24.971 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 48 62.300 -24.876 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 48 60.211 -25.869 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 48 59.505 -25.973 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 61.387 -27.459 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 48 62.104 -27.349 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 48 60.038 -28.351 9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 48 59.302 -28.442 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 60.324 -30.551 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 61.121 -29.889 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 61.835 -29.801 8.360 1.00 0.00 H new ATOM 802 N GLU A 49 61.587 -23.509 9.818 1.00 0.00 N ATOM 803 CA GLU A 49 61.549 -23.319 11.299 1.00 0.00 C ATOM 804 C GLU A 49 62.019 -21.906 11.656 1.00 0.00 C ATOM 805 O GLU A 49 62.901 -21.357 11.026 1.00 0.00 O ATOM 806 CB GLU A 49 62.476 -24.351 11.947 1.00 0.00 C ATOM 807 CG GLU A 49 61.926 -25.753 11.681 1.00 0.00 C ATOM 808 CD GLU A 49 62.841 -26.797 12.323 1.00 0.00 C ATOM 809 OE1 GLU A 49 63.915 -26.423 12.765 1.00 0.00 O ATOM 810 OE2 GLU A 49 62.450 -27.952 12.366 1.00 0.00 O ATOM 0 H GLU A 49 62.483 -23.828 9.449 1.00 0.00 H new ATOM 0 HA GLU A 49 60.530 -23.451 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 63.483 -24.259 11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 49 62.547 -24.172 13.020 1.00 0.00 H new ATOM 0 HG2 GLU A 49 60.918 -25.841 12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 49 61.855 -25.929 10.608 1.00 0.00 H new ATOM 817 N GLN A 50 61.435 -21.314 12.665 1.00 0.00 N ATOM 818 CA GLN A 50 61.847 -19.938 13.067 1.00 0.00 C ATOM 819 C GLN A 50 63.260 -19.981 13.653 1.00 0.00 C ATOM 820 O GLN A 50 64.005 -19.027 13.580 1.00 0.00 O ATOM 821 CB GLN A 50 60.883 -19.381 14.118 1.00 0.00 C ATOM 822 CG GLN A 50 59.522 -19.091 13.479 1.00 0.00 C ATOM 823 CD GLN A 50 58.571 -18.530 14.541 1.00 0.00 C ATOM 824 OE1 GLN A 50 58.973 -17.737 15.371 1.00 0.00 O ATOM 825 NE2 GLN A 50 57.321 -18.902 14.547 1.00 0.00 N ATOM 0 H GLN A 50 60.690 -21.725 13.228 1.00 0.00 H new ATOM 0 HA GLN A 50 61.828 -19.293 12.188 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.767 -20.096 14.932 1.00 0.00 H new ATOM 0 HB3 GLN A 50 61.292 -18.469 14.552 1.00 0.00 H new ATOM 0 HG2 GLN A 50 59.636 -18.377 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 50 59.108 -20.003 13.049 1.00 0.00 H new ATOM 0 HE21 GLN A 50 56.983 -19.567 13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 50 56.681 -18.528 15.248 1.00 0.00 H new ATOM 834 N GLU A 51 63.632 -21.084 14.237 1.00 0.00 N ATOM 835 CA GLU A 51 64.995 -21.185 14.832 1.00 0.00 C ATOM 836 C GLU A 51 66.025 -20.828 13.762 1.00 0.00 C ATOM 837 O GLU A 51 67.075 -20.290 14.049 1.00 0.00 O ATOM 838 CB GLU A 51 65.238 -22.613 15.319 1.00 0.00 C ATOM 839 CG GLU A 51 64.366 -22.891 16.543 1.00 0.00 C ATOM 840 CD GLU A 51 64.580 -24.334 17.001 1.00 0.00 C ATOM 841 OE1 GLU A 51 65.323 -25.040 16.339 1.00 0.00 O ATOM 842 OE2 GLU A 51 64.000 -24.708 18.006 1.00 0.00 O ATOM 0 H GLU A 51 63.054 -21.919 14.329 1.00 0.00 H new ATOM 0 HA GLU A 51 65.083 -20.501 15.676 1.00 0.00 H new ATOM 0 HB2 GLU A 51 65.006 -23.323 14.525 1.00 0.00 H new ATOM 0 HB3 GLU A 51 66.290 -22.748 15.571 1.00 0.00 H new ATOM 0 HG2 GLU A 51 64.619 -22.201 17.348 1.00 0.00 H new ATOM 0 HG3 GLU A 51 63.316 -22.727 16.300 1.00 0.00 H new ATOM 849 N VAL A 52 65.715 -21.096 12.525 1.00 0.00 N ATOM 850 CA VAL A 52 66.651 -20.744 11.425 1.00 0.00 C ATOM 851 C VAL A 52 66.679 -19.217 11.286 1.00 0.00 C ATOM 852 O VAL A 52 67.699 -18.622 10.999 1.00 0.00 O ATOM 853 CB VAL A 52 66.172 -21.380 10.118 1.00 0.00 C ATOM 854 CG1 VAL A 52 67.007 -20.851 8.949 1.00 0.00 C ATOM 855 CG2 VAL A 52 66.325 -22.902 10.204 1.00 0.00 C ATOM 0 H VAL A 52 64.849 -21.546 12.228 1.00 0.00 H new ATOM 0 HA VAL A 52 67.651 -21.116 11.647 1.00 0.00 H new ATOM 0 HB VAL A 52 65.124 -21.126 9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 52 66.663 -21.306 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 52 66.898 -19.768 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 52 68.056 -21.101 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 52 65.984 -23.355 9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 52 67.373 -23.154 10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 52 65.727 -23.282 11.033 1.00 0.00 H new ATOM 865 N VAL A 53 65.556 -18.584 11.506 1.00 0.00 N ATOM 866 CA VAL A 53 65.501 -17.097 11.406 1.00 0.00 C ATOM 867 C VAL A 53 66.316 -16.486 12.548 1.00 0.00 C ATOM 868 O VAL A 53 67.028 -15.517 12.368 1.00 0.00 O ATOM 869 CB VAL A 53 64.040 -16.630 11.500 1.00 0.00 C ATOM 870 CG1 VAL A 53 63.980 -15.106 11.649 1.00 0.00 C ATOM 871 CG2 VAL A 53 63.296 -17.041 10.227 1.00 0.00 C ATOM 0 H VAL A 53 64.674 -19.034 11.751 1.00 0.00 H new ATOM 0 HA VAL A 53 65.917 -16.776 10.451 1.00 0.00 H new ATOM 0 HB VAL A 53 63.574 -17.092 12.371 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.940 -14.788 11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.509 -14.808 12.554 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.449 -14.637 10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 53 62.259 -16.712 10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 53 63.772 -16.579 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 53 63.327 -18.125 10.122 1.00 0.00 H new ATOM 881 N ASP A 54 66.210 -17.041 13.723 1.00 0.00 N ATOM 882 CA ASP A 54 66.972 -16.490 14.879 1.00 0.00 C ATOM 883 C ASP A 54 68.467 -16.551 14.571 1.00 0.00 C ATOM 884 O ASP A 54 69.212 -15.641 14.872 1.00 0.00 O ATOM 885 CB ASP A 54 66.671 -17.318 16.132 1.00 0.00 C ATOM 886 CG ASP A 54 67.441 -16.743 17.324 1.00 0.00 C ATOM 887 OD1 ASP A 54 68.290 -15.896 17.103 1.00 0.00 O ATOM 888 OD2 ASP A 54 67.166 -17.160 18.437 1.00 0.00 O ATOM 0 H ASP A 54 65.629 -17.852 13.933 1.00 0.00 H new ATOM 0 HA ASP A 54 66.677 -15.455 15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 54 65.601 -17.308 16.338 1.00 0.00 H new ATOM 0 HB3 ASP A 54 66.955 -18.358 15.970 1.00 0.00 H new ATOM 893 N LYS A 55 68.907 -17.615 13.961 1.00 0.00 N ATOM 894 CA LYS A 55 70.352 -17.727 13.621 1.00 0.00 C ATOM 895 C LYS A 55 70.730 -16.573 12.697 1.00 0.00 C ATOM 896 O LYS A 55 71.732 -15.910 12.884 1.00 0.00 O ATOM 897 CB LYS A 55 70.608 -19.054 12.901 1.00 0.00 C ATOM 898 CG LYS A 55 72.097 -19.168 12.553 1.00 0.00 C ATOM 899 CD LYS A 55 72.407 -20.576 12.021 1.00 0.00 C ATOM 900 CE LYS A 55 71.867 -20.735 10.596 1.00 0.00 C ATOM 901 NZ LYS A 55 72.393 -21.998 10.003 1.00 0.00 N ATOM 0 H LYS A 55 68.331 -18.410 13.684 1.00 0.00 H new ATOM 0 HA LYS A 55 70.949 -17.689 14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 55 70.307 -19.888 13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 55 70.006 -19.110 11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 55 72.362 -18.421 11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 55 72.702 -18.963 13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.483 -20.747 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 55 71.959 -21.326 12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 55 70.777 -20.753 10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 55 72.165 -19.882 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 72.027 -22.106 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.432 -21.963 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 72.088 -22.807 10.581 1.00 0.00 H new ATOM 915 N VAL A 56 69.932 -16.332 11.696 1.00 0.00 N ATOM 916 CA VAL A 56 70.230 -15.227 10.747 1.00 0.00 C ATOM 917 C VAL A 56 70.201 -13.891 11.493 1.00 0.00 C ATOM 918 O VAL A 56 71.013 -13.019 11.257 1.00 0.00 O ATOM 919 CB VAL A 56 69.173 -15.231 9.634 1.00 0.00 C ATOM 920 CG1 VAL A 56 69.296 -13.967 8.778 1.00 0.00 C ATOM 921 CG2 VAL A 56 69.379 -16.464 8.748 1.00 0.00 C ATOM 0 H VAL A 56 69.081 -16.857 11.494 1.00 0.00 H new ATOM 0 HA VAL A 56 71.219 -15.365 10.311 1.00 0.00 H new ATOM 0 HB VAL A 56 68.182 -15.256 10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 56 68.540 -13.984 7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 56 69.149 -13.087 9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 56 70.287 -13.929 8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 68.631 -16.472 7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 56 70.375 -16.432 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 56 69.278 -17.366 9.351 1.00 0.00 H new ATOM 931 N MET A 57 69.262 -13.720 12.382 1.00 0.00 N ATOM 932 CA MET A 57 69.175 -12.435 13.131 1.00 0.00 C ATOM 933 C MET A 57 70.395 -12.269 14.040 1.00 0.00 C ATOM 934 O MET A 57 70.958 -11.199 14.147 1.00 0.00 O ATOM 935 CB MET A 57 67.905 -12.430 13.987 1.00 0.00 C ATOM 936 CG MET A 57 66.677 -12.341 13.078 1.00 0.00 C ATOM 937 SD MET A 57 65.173 -12.333 14.090 1.00 0.00 S ATOM 938 CE MET A 57 65.410 -10.710 14.863 1.00 0.00 C ATOM 0 H MET A 57 68.553 -14.413 12.622 1.00 0.00 H new ATOM 0 HA MET A 57 69.146 -11.611 12.418 1.00 0.00 H new ATOM 0 HB2 MET A 57 67.858 -13.335 14.592 1.00 0.00 H new ATOM 0 HB3 MET A 57 67.922 -11.586 14.677 1.00 0.00 H new ATOM 0 HG2 MET A 57 66.725 -11.436 12.472 1.00 0.00 H new ATOM 0 HG3 MET A 57 66.660 -13.185 12.389 1.00 0.00 H new ATOM 0 HE1 MET A 57 64.442 -10.228 15.002 1.00 0.00 H new ATOM 0 HE2 MET A 57 65.895 -10.835 15.831 1.00 0.00 H new ATOM 0 HE3 MET A 57 66.035 -10.089 14.221 1.00 0.00 H new ATOM 948 N GLU A 58 70.807 -13.317 14.698 1.00 0.00 N ATOM 949 CA GLU A 58 71.991 -13.204 15.598 1.00 0.00 C ATOM 950 C GLU A 58 73.207 -12.787 14.776 1.00 0.00 C ATOM 951 O GLU A 58 73.955 -11.906 15.149 1.00 0.00 O ATOM 952 CB GLU A 58 72.262 -14.551 16.277 1.00 0.00 C ATOM 953 CG GLU A 58 73.450 -14.419 17.237 1.00 0.00 C ATOM 954 CD GLU A 58 73.702 -15.763 17.923 1.00 0.00 C ATOM 955 OE1 GLU A 58 72.919 -16.672 17.705 1.00 0.00 O ATOM 956 OE2 GLU A 58 74.670 -15.857 18.659 1.00 0.00 O ATOM 0 H GLU A 58 70.379 -14.242 14.653 1.00 0.00 H new ATOM 0 HA GLU A 58 71.793 -12.456 16.366 1.00 0.00 H new ATOM 0 HB2 GLU A 58 71.377 -14.878 16.822 1.00 0.00 H new ATOM 0 HB3 GLU A 58 72.473 -15.312 15.525 1.00 0.00 H new ATOM 0 HG2 GLU A 58 74.339 -14.105 16.691 1.00 0.00 H new ATOM 0 HG3 GLU A 58 73.245 -13.651 17.983 1.00 0.00 H new ATOM 963 N THR A 59 73.409 -13.420 13.657 1.00 0.00 N ATOM 964 CA THR A 59 74.577 -13.074 12.803 1.00 0.00 C ATOM 965 C THR A 59 74.367 -11.686 12.195 1.00 0.00 C ATOM 966 O THR A 59 75.283 -10.895 12.090 1.00 0.00 O ATOM 967 CB THR A 59 74.704 -14.104 11.674 1.00 0.00 C ATOM 968 OG1 THR A 59 74.888 -15.398 12.234 1.00 0.00 O ATOM 969 CG2 THR A 59 75.907 -13.760 10.785 1.00 0.00 C ATOM 0 H THR A 59 72.814 -14.165 13.295 1.00 0.00 H new ATOM 0 HA THR A 59 75.484 -13.077 13.408 1.00 0.00 H new ATOM 0 HB THR A 59 73.796 -14.088 11.072 1.00 0.00 H new ATOM 0 HG1 THR A 59 74.023 -15.753 12.529 1.00 0.00 H new ATOM 0 HG21 THR A 59 75.991 -14.496 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 59 75.769 -12.769 10.353 1.00 0.00 H new ATOM 0 HG23 THR A 59 76.817 -13.770 11.385 1.00 0.00 H new ATOM 977 N LEU A 60 73.163 -11.395 11.788 1.00 0.00 N ATOM 978 CA LEU A 60 72.883 -10.063 11.179 1.00 0.00 C ATOM 979 C LEU A 60 72.947 -8.967 12.249 1.00 0.00 C ATOM 980 O LEU A 60 73.443 -7.884 12.014 1.00 0.00 O ATOM 981 CB LEU A 60 71.483 -10.076 10.551 1.00 0.00 C ATOM 982 CG LEU A 60 71.173 -8.715 9.907 1.00 0.00 C ATOM 983 CD1 LEU A 60 72.184 -8.420 8.785 1.00 0.00 C ATOM 984 CD2 LEU A 60 69.754 -8.750 9.327 1.00 0.00 C ATOM 0 H LEU A 60 72.360 -12.021 11.850 1.00 0.00 H new ATOM 0 HA LEU A 60 73.632 -9.858 10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 71.422 -10.864 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 60 70.738 -10.303 11.313 1.00 0.00 H new ATOM 0 HG LEU A 60 71.246 -7.931 10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 60 71.956 -7.454 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 60 73.192 -8.399 9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 60 72.121 -9.198 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 60 69.525 -7.788 8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 60 69.688 -9.536 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 60 69.039 -8.950 10.125 1.00 0.00 H new ATOM 996 N ASP A 61 72.422 -9.234 13.414 1.00 0.00 N ATOM 997 CA ASP A 61 72.418 -8.205 14.495 1.00 0.00 C ATOM 998 C ASP A 61 73.845 -7.928 14.968 1.00 0.00 C ATOM 999 O ASP A 61 74.448 -8.723 15.660 1.00 0.00 O ATOM 1000 CB ASP A 61 71.581 -8.721 15.667 1.00 0.00 C ATOM 1001 CG ASP A 61 71.411 -7.620 16.710 1.00 0.00 C ATOM 1002 OD1 ASP A 61 72.133 -6.640 16.632 1.00 0.00 O ATOM 1003 OD2 ASP A 61 70.561 -7.775 17.570 1.00 0.00 O ATOM 0 H ASP A 61 71.993 -10.125 13.665 1.00 0.00 H new ATOM 0 HA ASP A 61 71.992 -7.279 14.110 1.00 0.00 H new ATOM 0 HB2 ASP A 61 70.605 -9.050 15.311 1.00 0.00 H new ATOM 0 HB3 ASP A 61 72.065 -9.588 16.117 1.00 0.00 H new ATOM 1008 N GLU A 62 74.390 -6.804 14.589 1.00 0.00 N ATOM 1009 CA GLU A 62 75.782 -6.471 15.005 1.00 0.00 C ATOM 1010 C GLU A 62 75.831 -6.196 16.511 1.00 0.00 C ATOM 1011 O GLU A 62 76.763 -6.582 17.189 1.00 0.00 O ATOM 1012 CB GLU A 62 76.255 -5.224 14.255 1.00 0.00 C ATOM 1013 CG GLU A 62 76.419 -5.544 12.768 1.00 0.00 C ATOM 1014 CD GLU A 62 77.617 -6.475 12.573 1.00 0.00 C ATOM 1015 OE1 GLU A 62 78.431 -6.559 13.477 1.00 0.00 O ATOM 1016 OE2 GLU A 62 77.697 -7.091 11.523 1.00 0.00 O ATOM 0 H GLU A 62 73.931 -6.102 14.009 1.00 0.00 H new ATOM 0 HA GLU A 62 76.431 -7.315 14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 62 75.536 -4.416 14.385 1.00 0.00 H new ATOM 0 HB3 GLU A 62 77.202 -4.877 14.668 1.00 0.00 H new ATOM 0 HG2 GLU A 62 75.514 -6.015 12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 62 76.564 -4.624 12.201 1.00 0.00 H new ATOM 1023 N ASP A 63 74.847 -5.518 17.042 1.00 0.00 N ATOM 1024 CA ASP A 63 74.856 -5.206 18.505 1.00 0.00 C ATOM 1025 C ASP A 63 74.159 -6.312 19.300 1.00 0.00 C ATOM 1026 O ASP A 63 74.235 -6.350 20.512 1.00 0.00 O ATOM 1027 CB ASP A 63 74.153 -3.864 18.755 1.00 0.00 C ATOM 1028 CG ASP A 63 72.832 -3.792 17.979 1.00 0.00 C ATOM 1029 OD1 ASP A 63 72.750 -4.390 16.922 1.00 0.00 O ATOM 1030 OD2 ASP A 63 71.929 -3.125 18.455 1.00 0.00 O ATOM 0 H ASP A 63 74.039 -5.167 16.528 1.00 0.00 H new ATOM 0 HA ASP A 63 75.892 -5.141 18.838 1.00 0.00 H new ATOM 0 HB2 ASP A 63 73.962 -3.741 19.821 1.00 0.00 H new ATOM 0 HB3 ASP A 63 74.804 -3.044 18.451 1.00 0.00 H new ATOM 1035 N GLY A 64 73.484 -7.215 18.643 1.00 0.00 N ATOM 1036 CA GLY A 64 72.799 -8.311 19.387 1.00 0.00 C ATOM 1037 C GLY A 64 71.604 -7.754 20.167 1.00 0.00 C ATOM 1038 O GLY A 64 71.242 -8.264 21.207 1.00 0.00 O ATOM 0 H GLY A 64 73.377 -7.242 17.629 1.00 0.00 H new ATOM 0 HA2 GLY A 64 72.462 -9.078 18.690 1.00 0.00 H new ATOM 0 HA3 GLY A 64 73.499 -8.788 20.072 1.00 0.00 H new ATOM 1042 N ASP A 65 70.994 -6.705 19.683 1.00 0.00 N ATOM 1043 CA ASP A 65 69.832 -6.122 20.413 1.00 0.00 C ATOM 1044 C ASP A 65 68.588 -6.990 20.197 1.00 0.00 C ATOM 1045 O ASP A 65 67.537 -6.728 20.747 1.00 0.00 O ATOM 1046 CB ASP A 65 69.572 -4.700 19.909 1.00 0.00 C ATOM 1047 CG ASP A 65 69.143 -4.738 18.441 1.00 0.00 C ATOM 1048 OD1 ASP A 65 69.410 -5.733 17.791 1.00 0.00 O ATOM 1049 OD2 ASP A 65 68.558 -3.768 17.991 1.00 0.00 O ATOM 0 H ASP A 65 71.249 -6.229 18.818 1.00 0.00 H new ATOM 0 HA ASP A 65 70.057 -6.090 21.479 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.796 -4.228 20.511 1.00 0.00 H new ATOM 0 HB3 ASP A 65 70.473 -4.096 20.018 1.00 0.00 H new ATOM 1054 N GLY A 66 68.701 -8.035 19.423 1.00 0.00 N ATOM 1055 CA GLY A 66 67.526 -8.931 19.202 1.00 0.00 C ATOM 1056 C GLY A 66 66.579 -8.339 18.156 1.00 0.00 C ATOM 1057 O GLY A 66 65.532 -8.888 17.880 1.00 0.00 O ATOM 0 H GLY A 66 69.554 -8.308 18.934 1.00 0.00 H new ATOM 0 HA2 GLY A 66 67.868 -9.913 18.875 1.00 0.00 H new ATOM 0 HA3 GLY A 66 66.992 -9.076 20.141 1.00 0.00 H new ATOM 1061 N GLU A 67 66.933 -7.228 17.571 1.00 0.00 N ATOM 1062 CA GLU A 67 66.057 -6.595 16.539 1.00 0.00 C ATOM 1063 C GLU A 67 66.946 -6.092 15.405 1.00 0.00 C ATOM 1064 O GLU A 67 68.129 -5.886 15.594 1.00 0.00 O ATOM 1065 CB GLU A 67 65.314 -5.414 17.171 1.00 0.00 C ATOM 1066 CG GLU A 67 64.428 -5.925 18.309 1.00 0.00 C ATOM 1067 CD GLU A 67 63.683 -4.750 18.947 1.00 0.00 C ATOM 1068 OE1 GLU A 67 64.013 -3.621 18.625 1.00 0.00 O ATOM 1069 OE2 GLU A 67 62.797 -5.002 19.747 1.00 0.00 O ATOM 0 H GLU A 67 67.799 -6.725 17.764 1.00 0.00 H new ATOM 0 HA GLU A 67 65.332 -7.313 16.157 1.00 0.00 H new ATOM 0 HB2 GLU A 67 66.027 -4.682 17.550 1.00 0.00 H new ATOM 0 HB3 GLU A 67 64.706 -4.908 16.421 1.00 0.00 H new ATOM 0 HG2 GLU A 67 63.716 -6.657 17.928 1.00 0.00 H new ATOM 0 HG3 GLU A 67 65.037 -6.432 19.058 1.00 0.00 H new ATOM 1076 N CYS A 68 66.405 -5.877 14.230 1.00 0.00 N ATOM 1077 CA CYS A 68 67.253 -5.372 13.103 1.00 0.00 C ATOM 1078 C CYS A 68 67.076 -3.857 12.995 1.00 0.00 C ATOM 1079 O CYS A 68 66.057 -3.367 12.549 1.00 0.00 O ATOM 1080 CB CYS A 68 66.816 -6.039 11.797 1.00 0.00 C ATOM 1081 SG CYS A 68 67.933 -5.542 10.463 1.00 0.00 S ATOM 0 H CYS A 68 65.422 -6.027 14.003 1.00 0.00 H new ATOM 0 HA CYS A 68 68.301 -5.608 13.289 1.00 0.00 H new ATOM 0 HB2 CYS A 68 66.826 -7.123 11.909 1.00 0.00 H new ATOM 0 HB3 CYS A 68 65.793 -5.753 11.555 1.00 0.00 H new ATOM 0 HG CYS A 68 67.564 -6.110 9.353 1.00 0.00 H new ATOM 1087 N ASP A 69 68.053 -3.116 13.435 1.00 0.00 N ATOM 1088 CA ASP A 69 67.954 -1.629 13.406 1.00 0.00 C ATOM 1089 C ASP A 69 67.942 -1.103 11.970 1.00 0.00 C ATOM 1090 O ASP A 69 68.202 -1.817 11.022 1.00 0.00 O ATOM 1091 CB ASP A 69 69.146 -1.027 14.148 1.00 0.00 C ATOM 1092 CG ASP A 69 69.014 -1.304 15.646 1.00 0.00 C ATOM 1093 OD1 ASP A 69 67.911 -1.597 16.080 1.00 0.00 O ATOM 1094 OD2 ASP A 69 70.018 -1.228 16.332 1.00 0.00 O ATOM 0 H ASP A 69 68.926 -3.480 13.818 1.00 0.00 H new ATOM 0 HA ASP A 69 67.020 -1.340 13.889 1.00 0.00 H new ATOM 0 HB2 ASP A 69 70.075 -1.454 13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 69 69.193 0.047 13.970 1.00 0.00 H new ATOM 1099 N PHE A 70 67.653 0.160 11.827 1.00 0.00 N ATOM 1100 CA PHE A 70 67.629 0.778 10.476 1.00 0.00 C ATOM 1101 C PHE A 70 69.016 0.639 9.838 1.00 0.00 C ATOM 1102 O PHE A 70 69.149 0.263 8.691 1.00 0.00 O ATOM 1103 CB PHE A 70 67.272 2.260 10.589 1.00 0.00 C ATOM 1104 CG PHE A 70 67.247 2.863 9.207 1.00 0.00 C ATOM 1105 CD1 PHE A 70 68.419 3.380 8.646 1.00 0.00 C ATOM 1106 CD2 PHE A 70 66.051 2.890 8.481 1.00 0.00 C ATOM 1107 CE1 PHE A 70 68.396 3.929 7.359 1.00 0.00 C ATOM 1108 CE2 PHE A 70 66.027 3.437 7.192 1.00 0.00 C ATOM 1109 CZ PHE A 70 67.200 3.957 6.632 1.00 0.00 C ATOM 0 H PHE A 70 67.431 0.794 12.595 1.00 0.00 H new ATOM 0 HA PHE A 70 66.883 0.275 9.860 1.00 0.00 H new ATOM 0 HB2 PHE A 70 66.301 2.378 11.069 1.00 0.00 H new ATOM 0 HB3 PHE A 70 68.001 2.777 11.213 1.00 0.00 H new ATOM 0 HD1 PHE A 70 69.342 3.356 9.206 1.00 0.00 H new ATOM 0 HD2 PHE A 70 65.147 2.489 8.915 1.00 0.00 H new ATOM 0 HE1 PHE A 70 69.300 4.331 6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 70 65.105 3.458 6.631 1.00 0.00 H new ATOM 0 HZ PHE A 70 67.182 4.380 5.638 1.00 0.00 H new ATOM 1119 N GLN A 71 70.049 0.962 10.573 1.00 0.00 N ATOM 1120 CA GLN A 71 71.423 0.866 9.995 1.00 0.00 C ATOM 1121 C GLN A 71 71.673 -0.579 9.558 1.00 0.00 C ATOM 1122 O GLN A 71 72.006 -0.840 8.419 1.00 0.00 O ATOM 1123 CB GLN A 71 72.466 1.269 11.046 1.00 0.00 C ATOM 1124 CG GLN A 71 72.263 2.732 11.449 1.00 0.00 C ATOM 1125 CD GLN A 71 71.056 2.840 12.378 1.00 0.00 C ATOM 1126 OE1 GLN A 71 70.880 2.026 13.262 1.00 0.00 O ATOM 1127 NE2 GLN A 71 70.210 3.817 12.213 1.00 0.00 N ATOM 0 H GLN A 71 70.002 1.285 11.539 1.00 0.00 H new ATOM 0 HA GLN A 71 71.506 1.537 9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.379 0.626 11.922 1.00 0.00 H new ATOM 0 HB3 GLN A 71 73.470 1.129 10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 71 73.155 3.110 11.948 1.00 0.00 H new ATOM 0 HG3 GLN A 71 72.109 3.347 10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 71 70.358 4.500 11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 71 69.399 3.899 12.826 1.00 0.00 H new ATOM 1136 N GLU A 72 71.518 -1.525 10.447 1.00 0.00 N ATOM 1137 CA GLU A 72 71.752 -2.947 10.057 1.00 0.00 C ATOM 1138 C GLU A 72 70.780 -3.301 8.928 1.00 0.00 C ATOM 1139 O GLU A 72 71.133 -3.926 7.947 1.00 0.00 O ATOM 1140 CB GLU A 72 71.467 -3.853 11.257 1.00 0.00 C ATOM 1141 CG GLU A 72 72.546 -3.660 12.325 1.00 0.00 C ATOM 1142 CD GLU A 72 72.151 -4.440 13.581 1.00 0.00 C ATOM 1143 OE1 GLU A 72 71.104 -5.064 13.560 1.00 0.00 O ATOM 1144 OE2 GLU A 72 72.904 -4.400 14.540 1.00 0.00 O ATOM 0 H GLU A 72 71.242 -1.377 11.418 1.00 0.00 H new ATOM 0 HA GLU A 72 72.783 -3.083 9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 72 70.486 -3.622 11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.441 -4.895 10.939 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.510 -4.008 11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.658 -2.601 12.559 1.00 0.00 H new ATOM 1151 N PHE A 73 69.551 -2.901 9.085 1.00 0.00 N ATOM 1152 CA PHE A 73 68.521 -3.204 8.050 1.00 0.00 C ATOM 1153 C PHE A 73 69.084 -2.834 6.676 1.00 0.00 C ATOM 1154 O PHE A 73 68.873 -3.526 5.700 1.00 0.00 O ATOM 1155 CB PHE A 73 67.246 -2.408 8.322 1.00 0.00 C ATOM 1156 CG PHE A 73 66.225 -2.737 7.264 1.00 0.00 C ATOM 1157 CD1 PHE A 73 65.348 -3.813 7.448 1.00 0.00 C ATOM 1158 CD2 PHE A 73 66.163 -1.976 6.093 1.00 0.00 C ATOM 1159 CE1 PHE A 73 64.406 -4.125 6.461 1.00 0.00 C ATOM 1160 CE2 PHE A 73 65.222 -2.287 5.104 1.00 0.00 C ATOM 1161 CZ PHE A 73 64.343 -3.362 5.288 1.00 0.00 C ATOM 0 H PHE A 73 69.212 -2.374 9.890 1.00 0.00 H new ATOM 0 HA PHE A 73 68.275 -4.266 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 73 66.855 -2.650 9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 73 67.461 -1.340 8.317 1.00 0.00 H new ATOM 0 HD1 PHE A 73 65.398 -4.402 8.352 1.00 0.00 H new ATOM 0 HD2 PHE A 73 66.841 -1.148 5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 73 63.728 -4.954 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 73 65.174 -1.698 4.200 1.00 0.00 H new ATOM 0 HZ PHE A 73 63.617 -3.603 4.526 1.00 0.00 H new ATOM 1171 N MET A 74 69.815 -1.757 6.598 1.00 0.00 N ATOM 1172 CA MET A 74 70.414 -1.351 5.295 1.00 0.00 C ATOM 1173 C MET A 74 71.497 -2.367 4.907 1.00 0.00 C ATOM 1174 O MET A 74 71.756 -2.603 3.744 1.00 0.00 O ATOM 1175 CB MET A 74 71.037 0.042 5.419 1.00 0.00 C ATOM 1176 CG MET A 74 71.441 0.544 4.032 1.00 0.00 C ATOM 1177 SD MET A 74 69.954 0.908 3.066 1.00 0.00 S ATOM 1178 CE MET A 74 70.739 0.926 1.436 1.00 0.00 C ATOM 0 H MET A 74 70.024 -1.139 7.382 1.00 0.00 H new ATOM 0 HA MET A 74 69.639 -1.324 4.529 1.00 0.00 H new ATOM 0 HB2 MET A 74 70.326 0.731 5.874 1.00 0.00 H new ATOM 0 HB3 MET A 74 71.909 0.006 6.073 1.00 0.00 H new ATOM 0 HG2 MET A 74 72.057 1.439 4.122 1.00 0.00 H new ATOM 0 HG3 MET A 74 72.044 -0.208 3.523 1.00 0.00 H new ATOM 0 HE1 MET A 74 69.989 1.137 0.673 1.00 0.00 H new ATOM 0 HE2 MET A 74 71.508 1.698 1.411 1.00 0.00 H new ATOM 0 HE3 MET A 74 71.193 -0.045 1.240 1.00 0.00 H new ATOM 1188 N ALA A 75 72.123 -2.974 5.881 1.00 0.00 N ATOM 1189 CA ALA A 75 73.178 -3.986 5.576 1.00 0.00 C ATOM 1190 C ALA A 75 72.526 -5.175 4.870 1.00 0.00 C ATOM 1191 O ALA A 75 72.919 -5.569 3.790 1.00 0.00 O ATOM 1192 CB ALA A 75 73.831 -4.450 6.882 1.00 0.00 C ATOM 0 H ALA A 75 71.950 -2.813 6.873 1.00 0.00 H new ATOM 0 HA ALA A 75 73.942 -3.550 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 75 74.601 -5.189 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.282 -3.596 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 75 73.075 -4.896 7.528 1.00 0.00 H new ATOM 1198 N PHE A 76 71.530 -5.749 5.483 1.00 0.00 N ATOM 1199 CA PHE A 76 70.848 -6.918 4.859 1.00 0.00 C ATOM 1200 C PHE A 76 70.441 -6.521 3.441 1.00 0.00 C ATOM 1201 O PHE A 76 70.573 -7.284 2.505 1.00 0.00 O ATOM 1202 CB PHE A 76 69.605 -7.296 5.668 1.00 0.00 C ATOM 1203 CG PHE A 76 68.945 -8.496 5.033 1.00 0.00 C ATOM 1204 CD1 PHE A 76 69.340 -9.786 5.405 1.00 0.00 C ATOM 1205 CD2 PHE A 76 67.936 -8.321 4.079 1.00 0.00 C ATOM 1206 CE1 PHE A 76 68.730 -10.902 4.821 1.00 0.00 C ATOM 1207 CE2 PHE A 76 67.325 -9.438 3.495 1.00 0.00 C ATOM 1208 CZ PHE A 76 67.722 -10.728 3.867 1.00 0.00 C ATOM 0 H PHE A 76 71.158 -5.461 6.388 1.00 0.00 H new ATOM 0 HA PHE A 76 71.518 -7.778 4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 76 69.881 -7.521 6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 76 68.909 -6.458 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 76 70.116 -9.920 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 76 67.629 -7.326 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 76 69.037 -11.897 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 76 66.547 -9.304 2.758 1.00 0.00 H new ATOM 0 HZ PHE A 76 67.250 -11.589 3.417 1.00 0.00 H new ATOM 1218 N VAL A 77 69.978 -5.315 3.276 1.00 0.00 N ATOM 1219 CA VAL A 77 69.605 -4.857 1.912 1.00 0.00 C ATOM 1220 C VAL A 77 70.859 -4.916 1.036 1.00 0.00 C ATOM 1221 O VAL A 77 70.827 -5.389 -0.083 1.00 0.00 O ATOM 1222 CB VAL A 77 69.079 -3.419 1.960 1.00 0.00 C ATOM 1223 CG1 VAL A 77 68.903 -2.888 0.534 1.00 0.00 C ATOM 1224 CG2 VAL A 77 67.734 -3.392 2.684 1.00 0.00 C ATOM 0 H VAL A 77 69.843 -4.631 4.021 1.00 0.00 H new ATOM 0 HA VAL A 77 68.821 -5.496 1.506 1.00 0.00 H new ATOM 0 HB VAL A 77 69.792 -2.791 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 77 68.529 -1.865 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 77 69.863 -2.905 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 77 68.192 -3.516 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 77 67.360 -2.369 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 77 67.021 -4.022 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 77 67.860 -3.766 3.700 1.00 0.00 H new ATOM 1234 N SER A 78 71.971 -4.440 1.543 1.00 0.00 N ATOM 1235 CA SER A 78 73.232 -4.469 0.746 1.00 0.00 C ATOM 1236 C SER A 78 73.682 -5.915 0.525 1.00 0.00 C ATOM 1237 O SER A 78 74.087 -6.288 -0.557 1.00 0.00 O ATOM 1238 CB SER A 78 74.325 -3.712 1.501 1.00 0.00 C ATOM 1239 OG SER A 78 74.666 -4.430 2.678 1.00 0.00 O ATOM 0 H SER A 78 72.057 -4.033 2.474 1.00 0.00 H new ATOM 0 HA SER A 78 73.053 -3.998 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 78 75.204 -3.591 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 78 73.978 -2.711 1.759 1.00 0.00 H new ATOM 0 HG SER A 78 73.856 -4.816 3.072 1.00 0.00 H new ATOM 1245 N MET A 79 73.642 -6.728 1.547 1.00 0.00 N ATOM 1246 CA MET A 79 74.100 -8.141 1.390 1.00 0.00 C ATOM 1247 C MET A 79 73.417 -8.751 0.171 1.00 0.00 C ATOM 1248 O MET A 79 74.034 -9.422 -0.632 1.00 0.00 O ATOM 1249 CB MET A 79 73.706 -8.951 2.628 1.00 0.00 C ATOM 1250 CG MET A 79 74.535 -8.506 3.831 1.00 0.00 C ATOM 1251 SD MET A 79 74.045 -9.481 5.278 1.00 0.00 S ATOM 1252 CE MET A 79 75.159 -8.710 6.477 1.00 0.00 C ATOM 0 H MET A 79 73.314 -6.477 2.480 1.00 0.00 H new ATOM 0 HA MET A 79 75.183 -8.159 1.268 1.00 0.00 H new ATOM 0 HB2 MET A 79 72.645 -8.816 2.838 1.00 0.00 H new ATOM 0 HB3 MET A 79 73.862 -10.014 2.442 1.00 0.00 H new ATOM 0 HG2 MET A 79 75.597 -8.642 3.627 1.00 0.00 H new ATOM 0 HG3 MET A 79 74.381 -7.444 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 79 75.018 -9.172 7.454 1.00 0.00 H new ATOM 0 HE2 MET A 79 76.191 -8.849 6.156 1.00 0.00 H new ATOM 0 HE3 MET A 79 74.940 -7.644 6.544 1.00 0.00 H new ATOM 1262 N VAL A 80 72.154 -8.501 0.017 1.00 0.00 N ATOM 1263 CA VAL A 80 71.424 -9.039 -1.159 1.00 0.00 C ATOM 1264 C VAL A 80 72.061 -8.471 -2.429 1.00 0.00 C ATOM 1265 O VAL A 80 72.100 -9.107 -3.463 1.00 0.00 O ATOM 1266 CB VAL A 80 69.957 -8.621 -1.072 1.00 0.00 C ATOM 1267 CG1 VAL A 80 69.236 -9.020 -2.362 1.00 0.00 C ATOM 1268 CG2 VAL A 80 69.312 -9.329 0.120 1.00 0.00 C ATOM 0 H VAL A 80 71.590 -7.943 0.658 1.00 0.00 H new ATOM 0 HA VAL A 80 71.481 -10.127 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 80 69.884 -7.541 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 80 68.189 -8.722 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 80 69.706 -8.522 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 80 69.299 -10.100 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 80 68.264 -9.038 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 80 69.381 -10.408 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 80 69.831 -9.046 1.036 1.00 0.00 H new ATOM 1278 N THR A 81 72.594 -7.285 -2.331 1.00 0.00 N ATOM 1279 CA THR A 81 73.279 -6.661 -3.497 1.00 0.00 C ATOM 1280 C THR A 81 74.718 -7.188 -3.566 1.00 0.00 C ATOM 1281 O THR A 81 75.197 -7.608 -4.601 1.00 0.00 O ATOM 1282 CB THR A 81 73.301 -5.140 -3.315 1.00 0.00 C ATOM 1283 OG1 THR A 81 71.979 -4.672 -3.080 1.00 0.00 O ATOM 1284 CG2 THR A 81 73.858 -4.478 -4.575 1.00 0.00 C ATOM 0 H THR A 81 72.584 -6.716 -1.484 1.00 0.00 H new ATOM 0 HA THR A 81 72.750 -6.908 -4.417 1.00 0.00 H new ATOM 0 HB THR A 81 73.935 -4.888 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 81 71.338 -5.265 -3.525 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.872 -3.396 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 81 74.872 -4.835 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 81 73.228 -4.730 -5.428 1.00 0.00 H new ATOM 1292 N THR A 82 75.404 -7.147 -2.456 1.00 0.00 N ATOM 1293 CA THR A 82 76.821 -7.615 -2.396 1.00 0.00 C ATOM 1294 C THR A 82 76.892 -9.144 -2.492 1.00 0.00 C ATOM 1295 O THR A 82 77.923 -9.703 -2.812 1.00 0.00 O ATOM 1296 CB THR A 82 77.436 -7.161 -1.069 1.00 0.00 C ATOM 1297 OG1 THR A 82 77.066 -5.813 -0.817 1.00 0.00 O ATOM 1298 CG2 THR A 82 78.962 -7.268 -1.140 1.00 0.00 C ATOM 0 H THR A 82 75.035 -6.802 -1.570 1.00 0.00 H new ATOM 0 HA THR A 82 77.371 -7.190 -3.235 1.00 0.00 H new ATOM 0 HB THR A 82 77.070 -7.799 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 82 77.457 -5.520 0.033 1.00 0.00 H new ATOM 0 HG21 THR A 82 79.394 -6.944 -0.193 1.00 0.00 H new ATOM 0 HG22 THR A 82 79.246 -8.303 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 82 79.334 -6.634 -1.945 1.00 0.00 H new ATOM 1306 N ALA A 83 75.816 -9.828 -2.211 1.00 0.00 N ATOM 1307 CA ALA A 83 75.851 -11.318 -2.283 1.00 0.00 C ATOM 1308 C ALA A 83 75.711 -11.763 -3.737 1.00 0.00 C ATOM 1309 O ALA A 83 76.643 -12.259 -4.339 1.00 0.00 O ATOM 1310 CB ALA A 83 74.700 -11.904 -1.464 1.00 0.00 C ATOM 0 H ALA A 83 74.920 -9.424 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 83 76.800 -11.672 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 83 74.731 -12.992 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 83 74.797 -11.591 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 83 73.751 -11.547 -1.863 1.00 0.00 H new ATOM 1316 N CYS A 84 74.553 -11.588 -4.307 1.00 0.00 N ATOM 1317 CA CYS A 84 74.353 -12.003 -5.720 1.00 0.00 C ATOM 1318 C CYS A 84 75.330 -11.231 -6.609 1.00 0.00 C ATOM 1319 O CYS A 84 75.564 -10.055 -6.414 1.00 0.00 O ATOM 1320 CB CYS A 84 72.914 -11.691 -6.143 1.00 0.00 C ATOM 1321 SG CYS A 84 71.768 -12.714 -5.184 1.00 0.00 S ATOM 0 H CYS A 84 73.737 -11.176 -3.855 1.00 0.00 H new ATOM 0 HA CYS A 84 74.533 -13.073 -5.821 1.00 0.00 H new ATOM 0 HB2 CYS A 84 72.697 -10.635 -5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 84 72.787 -11.884 -7.208 1.00 0.00 H new ATOM 0 HG CYS A 84 70.546 -12.448 -5.541 1.00 0.00 H new ATOM 1450 N SER B 1 59.948 -6.874 -8.663 1.00 0.00 N ATOM 1451 CA SER B 1 59.145 -5.927 -7.841 1.00 0.00 C ATOM 1452 C SER B 1 59.743 -4.523 -7.940 1.00 0.00 C ATOM 1453 O SER B 1 60.852 -4.338 -8.402 1.00 0.00 O ATOM 1454 CB SER B 1 59.159 -6.378 -6.380 1.00 0.00 C ATOM 1455 OG SER B 1 58.863 -5.267 -5.544 1.00 0.00 O ATOM 0 H1 SER B 1 59.408 -7.142 -9.511 1.00 0.00 H new ATOM 0 H2 SER B 1 60.837 -6.417 -8.949 1.00 0.00 H new ATOM 0 H3 SER B 1 60.160 -7.725 -8.104 1.00 0.00 H new ATOM 0 HA SER B 1 58.120 -5.913 -8.211 1.00 0.00 H new ATOM 0 HB2 SER B 1 58.427 -7.170 -6.225 1.00 0.00 H new ATOM 0 HB3 SER B 1 60.135 -6.791 -6.124 1.00 0.00 H new ATOM 0 HG SER B 1 58.869 -5.552 -4.606 1.00 0.00 H new ATOM 1463 N GLU B 2 59.007 -3.529 -7.522 1.00 0.00 N ATOM 1464 CA GLU B 2 59.505 -2.126 -7.598 1.00 0.00 C ATOM 1465 C GLU B 2 60.786 -1.969 -6.781 1.00 0.00 C ATOM 1466 O GLU B 2 61.695 -1.265 -7.174 1.00 0.00 O ATOM 1467 CB GLU B 2 58.436 -1.187 -7.036 1.00 0.00 C ATOM 1468 CG GLU B 2 57.249 -1.138 -7.997 1.00 0.00 C ATOM 1469 CD GLU B 2 56.144 -0.263 -7.399 1.00 0.00 C ATOM 1470 OE1 GLU B 2 56.285 0.134 -6.254 1.00 0.00 O ATOM 1471 OE2 GLU B 2 55.176 -0.008 -8.096 1.00 0.00 O ATOM 0 H GLU B 2 58.072 -3.631 -7.127 1.00 0.00 H new ATOM 0 HA GLU B 2 59.717 -1.881 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU B 2 58.110 -1.534 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU B 2 58.849 -0.188 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU B 2 57.564 -0.737 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU B 2 56.872 -2.145 -8.178 1.00 0.00 H new ATOM 1478 N LEU B 3 60.877 -2.616 -5.655 1.00 0.00 N ATOM 1479 CA LEU B 3 62.109 -2.495 -4.833 1.00 0.00 C ATOM 1480 C LEU B 3 63.274 -3.176 -5.557 1.00 0.00 C ATOM 1481 O LEU B 3 64.407 -2.752 -5.455 1.00 0.00 O ATOM 1482 CB LEU B 3 61.874 -3.161 -3.467 1.00 0.00 C ATOM 1483 CG LEU B 3 63.136 -3.028 -2.566 1.00 0.00 C ATOM 1484 CD1 LEU B 3 62.720 -2.762 -1.113 1.00 0.00 C ATOM 1485 CD2 LEU B 3 63.964 -4.324 -2.605 1.00 0.00 C ATOM 0 H LEU B 3 60.153 -3.222 -5.269 1.00 0.00 H new ATOM 0 HA LEU B 3 62.352 -1.443 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU B 3 61.019 -2.699 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU B 3 61.631 -4.214 -3.607 1.00 0.00 H new ATOM 0 HG LEU B 3 63.734 -2.198 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU B 3 63.610 -2.671 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU B 3 62.145 -1.837 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU B 3 62.109 -3.589 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU B 3 64.843 -4.214 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU B 3 63.357 -5.154 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU B 3 64.280 -4.523 -3.629 1.00 0.00 H new ATOM 1497 N GLU B 4 63.011 -4.232 -6.282 1.00 0.00 N ATOM 1498 CA GLU B 4 64.114 -4.936 -6.997 1.00 0.00 C ATOM 1499 C GLU B 4 64.713 -4.023 -8.074 1.00 0.00 C ATOM 1500 O GLU B 4 65.910 -3.986 -8.274 1.00 0.00 O ATOM 1501 CB GLU B 4 63.554 -6.194 -7.667 1.00 0.00 C ATOM 1502 CG GLU B 4 63.175 -7.224 -6.600 1.00 0.00 C ATOM 1503 CD GLU B 4 62.529 -8.436 -7.274 1.00 0.00 C ATOM 1504 OE1 GLU B 4 62.492 -8.460 -8.493 1.00 0.00 O ATOM 1505 OE2 GLU B 4 62.078 -9.316 -6.560 1.00 0.00 O ATOM 0 H GLU B 4 62.083 -4.636 -6.409 1.00 0.00 H new ATOM 0 HA GLU B 4 64.890 -5.203 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU B 4 62.680 -5.940 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU B 4 64.295 -6.616 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU B 4 64.061 -7.532 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU B 4 62.485 -6.783 -5.881 1.00 0.00 H new ATOM 1512 N LYS B 5 63.889 -3.293 -8.773 1.00 0.00 N ATOM 1513 CA LYS B 5 64.406 -2.392 -9.845 1.00 0.00 C ATOM 1514 C LYS B 5 65.369 -1.371 -9.240 1.00 0.00 C ATOM 1515 O LYS B 5 66.390 -1.049 -9.812 1.00 0.00 O ATOM 1516 CB LYS B 5 63.234 -1.664 -10.512 1.00 0.00 C ATOM 1517 CG LYS B 5 63.746 -0.838 -11.697 1.00 0.00 C ATOM 1518 CD LYS B 5 62.570 -0.113 -12.360 1.00 0.00 C ATOM 1519 CE LYS B 5 63.072 0.720 -13.542 1.00 0.00 C ATOM 1520 NZ LYS B 5 61.939 1.509 -14.106 1.00 0.00 N ATOM 0 H LYS B 5 62.877 -3.280 -8.649 1.00 0.00 H new ATOM 0 HA LYS B 5 64.935 -2.985 -10.591 1.00 0.00 H new ATOM 0 HB2 LYS B 5 62.492 -2.386 -10.853 1.00 0.00 H new ATOM 0 HB3 LYS B 5 62.739 -1.014 -9.790 1.00 0.00 H new ATOM 0 HG2 LYS B 5 64.488 -0.115 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS B 5 64.241 -1.487 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS B 5 61.831 -0.837 -12.702 1.00 0.00 H new ATOM 0 HD3 LYS B 5 62.073 0.531 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS B 5 63.870 1.388 -13.218 1.00 0.00 H new ATOM 0 HE3 LYS B 5 63.493 0.069 -14.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 62.277 2.076 -14.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 61.192 0.862 -14.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 61.557 2.140 -13.373 1.00 0.00 H new ATOM 1534 N ALA B 6 65.053 -0.862 -8.083 1.00 0.00 N ATOM 1535 CA ALA B 6 65.956 0.132 -7.442 1.00 0.00 C ATOM 1536 C ALA B 6 67.325 -0.511 -7.213 1.00 0.00 C ATOM 1537 O ALA B 6 68.351 0.077 -7.490 1.00 0.00 O ATOM 1538 CB ALA B 6 65.357 0.570 -6.100 1.00 0.00 C ATOM 0 H ALA B 6 64.211 -1.091 -7.555 1.00 0.00 H new ATOM 0 HA ALA B 6 66.067 1.004 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA B 6 66.016 1.298 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA B 6 64.379 1.021 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA B 6 65.249 -0.298 -5.449 1.00 0.00 H new ATOM 1544 N MET B 7 67.352 -1.716 -6.713 1.00 0.00 N ATOM 1545 CA MET B 7 68.658 -2.390 -6.475 1.00 0.00 C ATOM 1546 C MET B 7 69.398 -2.583 -7.801 1.00 0.00 C ATOM 1547 O MET B 7 70.560 -2.252 -7.933 1.00 0.00 O ATOM 1548 CB MET B 7 68.409 -3.759 -5.846 1.00 0.00 C ATOM 1549 CG MET B 7 69.736 -4.357 -5.380 1.00 0.00 C ATOM 1550 SD MET B 7 69.438 -5.998 -4.678 1.00 0.00 S ATOM 1551 CE MET B 7 68.523 -5.467 -3.209 1.00 0.00 C ATOM 0 H MET B 7 66.528 -2.261 -6.460 1.00 0.00 H new ATOM 0 HA MET B 7 69.261 -1.773 -5.810 1.00 0.00 H new ATOM 0 HB2 MET B 7 67.725 -3.664 -5.003 1.00 0.00 H new ATOM 0 HB3 MET B 7 67.934 -4.422 -6.569 1.00 0.00 H new ATOM 0 HG2 MET B 7 70.430 -4.428 -6.217 1.00 0.00 H new ATOM 0 HG3 MET B 7 70.199 -3.709 -4.636 1.00 0.00 H new ATOM 0 HE1 MET B 7 68.619 -6.221 -2.428 1.00 0.00 H new ATOM 0 HE2 MET B 7 68.927 -4.520 -2.851 1.00 0.00 H new ATOM 0 HE3 MET B 7 67.471 -5.339 -3.462 1.00 0.00 H new ATOM 1561 N VAL B 8 68.737 -3.148 -8.776 1.00 0.00 N ATOM 1562 CA VAL B 8 69.400 -3.404 -10.087 1.00 0.00 C ATOM 1563 C VAL B 8 69.882 -2.091 -10.709 1.00 0.00 C ATOM 1564 O VAL B 8 70.953 -2.024 -11.278 1.00 0.00 O ATOM 1565 CB VAL B 8 68.400 -4.079 -11.030 1.00 0.00 C ATOM 1566 CG1 VAL B 8 69.007 -4.196 -12.434 1.00 0.00 C ATOM 1567 CG2 VAL B 8 68.061 -5.473 -10.494 1.00 0.00 C ATOM 0 H VAL B 8 67.763 -3.444 -8.720 1.00 0.00 H new ATOM 0 HA VAL B 8 70.262 -4.052 -9.929 1.00 0.00 H new ATOM 0 HB VAL B 8 67.491 -3.480 -11.086 1.00 0.00 H new ATOM 0 HG11 VAL B 8 68.291 -4.677 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL B 8 69.244 -3.201 -12.812 1.00 0.00 H new ATOM 0 HG13 VAL B 8 69.918 -4.793 -12.388 1.00 0.00 H new ATOM 0 HG21 VAL B 8 67.349 -5.957 -11.163 1.00 0.00 H new ATOM 0 HG22 VAL B 8 68.970 -6.072 -10.437 1.00 0.00 H new ATOM 0 HG23 VAL B 8 67.622 -5.384 -9.500 1.00 0.00 H new ATOM 1577 N ALA B 9 69.105 -1.047 -10.618 1.00 0.00 N ATOM 1578 CA ALA B 9 69.539 0.244 -11.220 1.00 0.00 C ATOM 1579 C ALA B 9 70.851 0.693 -10.573 1.00 0.00 C ATOM 1580 O ALA B 9 71.746 1.179 -11.233 1.00 0.00 O ATOM 1581 CB ALA B 9 68.459 1.311 -10.990 1.00 0.00 C ATOM 0 H ALA B 9 68.195 -1.032 -10.157 1.00 0.00 H new ATOM 0 HA ALA B 9 69.690 0.111 -12.291 1.00 0.00 H new ATOM 0 HB1 ALA B 9 68.780 2.254 -11.432 1.00 0.00 H new ATOM 0 HB2 ALA B 9 67.527 0.991 -11.455 1.00 0.00 H new ATOM 0 HB3 ALA B 9 68.303 1.446 -9.920 1.00 0.00 H new ATOM 1587 N LEU B 10 70.958 0.558 -9.283 1.00 0.00 N ATOM 1588 CA LEU B 10 72.194 1.008 -8.577 1.00 0.00 C ATOM 1589 C LEU B 10 73.421 0.254 -9.110 1.00 0.00 C ATOM 1590 O LEU B 10 74.448 0.849 -9.375 1.00 0.00 O ATOM 1591 CB LEU B 10 72.027 0.736 -7.079 1.00 0.00 C ATOM 1592 CG LEU B 10 73.273 1.183 -6.303 1.00 0.00 C ATOM 1593 CD1 LEU B 10 73.494 2.696 -6.489 1.00 0.00 C ATOM 1594 CD2 LEU B 10 73.068 0.869 -4.817 1.00 0.00 C ATOM 0 H LEU B 10 70.240 0.154 -8.681 1.00 0.00 H new ATOM 0 HA LEU B 10 72.346 2.073 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU B 10 71.150 1.264 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU B 10 71.853 -0.327 -6.915 1.00 0.00 H new ATOM 0 HG LEU B 10 74.149 0.653 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU B 10 74.380 3.005 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU B 10 73.633 2.916 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU B 10 72.626 3.239 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU B 10 73.947 1.182 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU B 10 72.192 1.404 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU B 10 72.918 -0.203 -4.689 1.00 0.00 H new ATOM 1606 N ILE B 11 73.342 -1.039 -9.265 1.00 0.00 N ATOM 1607 CA ILE B 11 74.529 -1.785 -9.772 1.00 0.00 C ATOM 1608 C ILE B 11 74.898 -1.249 -11.158 1.00 0.00 C ATOM 1609 O ILE B 11 76.046 -0.981 -11.449 1.00 0.00 O ATOM 1610 CB ILE B 11 74.190 -3.274 -9.867 1.00 0.00 C ATOM 1611 CG1 ILE B 11 73.861 -3.809 -8.471 1.00 0.00 C ATOM 1612 CG2 ILE B 11 75.392 -4.035 -10.430 1.00 0.00 C ATOM 1613 CD1 ILE B 11 73.258 -5.209 -8.594 1.00 0.00 C ATOM 0 H ILE B 11 72.518 -1.606 -9.066 1.00 0.00 H new ATOM 0 HA ILE B 11 75.371 -1.652 -9.092 1.00 0.00 H new ATOM 0 HB ILE B 11 73.331 -3.411 -10.524 1.00 0.00 H new ATOM 0 HG12 ILE B 11 74.763 -3.842 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE B 11 73.160 -3.142 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE B 11 75.152 -5.096 -10.498 1.00 0.00 H new ATOM 0 HG22 ILE B 11 75.632 -3.653 -11.422 1.00 0.00 H new ATOM 0 HG23 ILE B 11 76.250 -3.899 -9.771 1.00 0.00 H new ATOM 0 HD11 ILE B 11 73.023 -5.592 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE B 11 72.347 -5.162 -9.190 1.00 0.00 H new ATOM 0 HD13 ILE B 11 73.974 -5.872 -9.079 1.00 0.00 H new ATOM 1625 N ASP B 12 73.927 -1.115 -12.017 1.00 0.00 N ATOM 1626 CA ASP B 12 74.217 -0.623 -13.396 1.00 0.00 C ATOM 1627 C ASP B 12 74.881 0.755 -13.306 1.00 0.00 C ATOM 1628 O ASP B 12 75.809 1.054 -14.030 1.00 0.00 O ATOM 1629 CB ASP B 12 72.910 -0.502 -14.184 1.00 0.00 C ATOM 1630 CG ASP B 12 73.221 -0.068 -15.618 1.00 0.00 C ATOM 1631 OD1 ASP B 12 74.334 0.368 -15.856 1.00 0.00 O ATOM 1632 OD2 ASP B 12 72.339 -0.178 -16.454 1.00 0.00 O ATOM 0 H ASP B 12 72.947 -1.324 -11.826 1.00 0.00 H new ATOM 0 HA ASP B 12 74.881 -1.324 -13.902 1.00 0.00 H new ATOM 0 HB2 ASP B 12 72.384 -1.457 -14.187 1.00 0.00 H new ATOM 0 HB3 ASP B 12 72.251 0.223 -13.707 1.00 0.00 H new ATOM 1637 N VAL B 13 74.423 1.587 -12.414 1.00 0.00 N ATOM 1638 CA VAL B 13 75.042 2.936 -12.267 1.00 0.00 C ATOM 1639 C VAL B 13 76.479 2.796 -11.745 1.00 0.00 C ATOM 1640 O VAL B 13 77.375 3.488 -12.180 1.00 0.00 O ATOM 1641 CB VAL B 13 74.209 3.774 -11.284 1.00 0.00 C ATOM 1642 CG1 VAL B 13 74.959 5.059 -10.915 1.00 0.00 C ATOM 1643 CG2 VAL B 13 72.879 4.152 -11.941 1.00 0.00 C ATOM 0 H VAL B 13 73.648 1.393 -11.780 1.00 0.00 H new ATOM 0 HA VAL B 13 75.065 3.432 -13.237 1.00 0.00 H new ATOM 0 HB VAL B 13 74.032 3.186 -10.383 1.00 0.00 H new ATOM 0 HG11 VAL B 13 74.358 5.644 -10.218 1.00 0.00 H new ATOM 0 HG12 VAL B 13 75.910 4.804 -10.448 1.00 0.00 H new ATOM 0 HG13 VAL B 13 75.142 5.645 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL B 13 72.286 4.746 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL B 13 73.071 4.733 -12.843 1.00 0.00 H new ATOM 0 HG23 VAL B 13 72.332 3.246 -12.202 1.00 0.00 H new ATOM 1653 N PHE B 14 76.711 1.917 -10.811 1.00 0.00 N ATOM 1654 CA PHE B 14 78.092 1.760 -10.268 1.00 0.00 C ATOM 1655 C PHE B 14 79.062 1.360 -11.387 1.00 0.00 C ATOM 1656 O PHE B 14 80.095 1.971 -11.575 1.00 0.00 O ATOM 1657 CB PHE B 14 78.072 0.664 -9.200 1.00 0.00 C ATOM 1658 CG PHE B 14 79.437 0.512 -8.564 1.00 0.00 C ATOM 1659 CD1 PHE B 14 80.372 -0.380 -9.109 1.00 0.00 C ATOM 1660 CD2 PHE B 14 79.762 1.248 -7.418 1.00 0.00 C ATOM 1661 CE1 PHE B 14 81.629 -0.532 -8.508 1.00 0.00 C ATOM 1662 CE2 PHE B 14 81.020 1.093 -6.816 1.00 0.00 C ATOM 1663 CZ PHE B 14 81.952 0.203 -7.361 1.00 0.00 C ATOM 0 H PHE B 14 76.008 1.302 -10.400 1.00 0.00 H new ATOM 0 HA PHE B 14 78.424 2.705 -9.839 1.00 0.00 H new ATOM 0 HB2 PHE B 14 77.334 0.908 -8.436 1.00 0.00 H new ATOM 0 HB3 PHE B 14 77.767 -0.282 -9.648 1.00 0.00 H new ATOM 0 HD1 PHE B 14 80.123 -0.950 -9.992 1.00 0.00 H new ATOM 0 HD2 PHE B 14 79.044 1.936 -6.997 1.00 0.00 H new ATOM 0 HE1 PHE B 14 82.349 -1.217 -8.930 1.00 0.00 H new ATOM 0 HE2 PHE B 14 81.269 1.661 -5.932 1.00 0.00 H new ATOM 0 HZ PHE B 14 82.920 0.083 -6.897 1.00 0.00 H new ATOM 1673 N HIS B 15 78.769 0.296 -12.085 1.00 0.00 N ATOM 1674 CA HIS B 15 79.701 -0.204 -13.138 1.00 0.00 C ATOM 1675 C HIS B 15 79.948 0.828 -14.238 1.00 0.00 C ATOM 1676 O HIS B 15 81.059 0.961 -14.713 1.00 0.00 O ATOM 1677 CB HIS B 15 79.097 -1.457 -13.776 1.00 0.00 C ATOM 1678 CG HIS B 15 80.027 -1.971 -14.841 1.00 0.00 C ATOM 1679 ND1 HIS B 15 81.270 -2.508 -14.540 1.00 0.00 N ATOM 1680 CD2 HIS B 15 79.914 -2.027 -16.210 1.00 0.00 C ATOM 1681 CE1 HIS B 15 81.852 -2.858 -15.702 1.00 0.00 C ATOM 1682 NE2 HIS B 15 81.068 -2.586 -16.746 1.00 0.00 N ATOM 0 H HIS B 15 77.917 -0.253 -11.970 1.00 0.00 H new ATOM 0 HA HIS B 15 80.656 -0.417 -12.658 1.00 0.00 H new ATOM 0 HB2 HIS B 15 78.935 -2.223 -13.018 1.00 0.00 H new ATOM 0 HB3 HIS B 15 78.123 -1.226 -14.208 1.00 0.00 H new ATOM 0 HD2 HIS B 15 79.061 -1.689 -16.780 1.00 0.00 H new ATOM 0 HE1 HIS B 15 82.833 -3.304 -15.779 1.00 0.00 H new ATOM 0 HE2 HIS B 15 81.272 -2.753 -17.731 1.00 0.00 H new ATOM 1691 N GLN B 16 78.958 1.545 -14.676 1.00 0.00 N ATOM 1692 CA GLN B 16 79.208 2.529 -15.768 1.00 0.00 C ATOM 1693 C GLN B 16 80.076 3.683 -15.265 1.00 0.00 C ATOM 1694 O GLN B 16 80.953 4.162 -15.955 1.00 0.00 O ATOM 1695 CB GLN B 16 77.870 3.077 -16.263 1.00 0.00 C ATOM 1696 CG GLN B 16 78.105 3.995 -17.463 1.00 0.00 C ATOM 1697 CD GLN B 16 76.758 4.448 -18.024 1.00 0.00 C ATOM 1698 OE1 GLN B 16 75.748 4.362 -17.353 1.00 0.00 O ATOM 1699 NE2 GLN B 16 76.694 4.927 -19.235 1.00 0.00 N ATOM 0 H GLN B 16 77.998 1.498 -14.334 1.00 0.00 H new ATOM 0 HA GLN B 16 79.733 2.029 -16.582 1.00 0.00 H new ATOM 0 HB2 GLN B 16 77.211 2.256 -16.544 1.00 0.00 H new ATOM 0 HB3 GLN B 16 77.372 3.626 -15.464 1.00 0.00 H new ATOM 0 HG2 GLN B 16 78.696 4.860 -17.163 1.00 0.00 H new ATOM 0 HG3 GLN B 16 78.674 3.470 -18.231 1.00 0.00 H new ATOM 0 HE21 GLN B 16 77.540 5.000 -19.800 1.00 0.00 H new ATOM 0 HE22 GLN B 16 75.798 5.229 -19.617 1.00 0.00 H new ATOM 1708 N TYR B 17 79.834 4.134 -14.072 1.00 0.00 N ATOM 1709 CA TYR B 17 80.643 5.259 -13.528 1.00 0.00 C ATOM 1710 C TYR B 17 82.044 4.765 -13.147 1.00 0.00 C ATOM 1711 O TYR B 17 83.029 5.437 -13.383 1.00 0.00 O ATOM 1712 CB TYR B 17 79.924 5.851 -12.299 1.00 0.00 C ATOM 1713 CG TYR B 17 78.972 6.946 -12.738 1.00 0.00 C ATOM 1714 CD1 TYR B 17 77.667 6.632 -13.135 1.00 0.00 C ATOM 1715 CD2 TYR B 17 79.404 8.277 -12.749 1.00 0.00 C ATOM 1716 CE1 TYR B 17 76.795 7.649 -13.541 1.00 0.00 C ATOM 1717 CE2 TYR B 17 78.533 9.293 -13.155 1.00 0.00 C ATOM 1718 CZ TYR B 17 77.227 8.979 -13.551 1.00 0.00 C ATOM 1719 OH TYR B 17 76.369 9.982 -13.952 1.00 0.00 O ATOM 0 H TYR B 17 79.112 3.775 -13.448 1.00 0.00 H new ATOM 0 HA TYR B 17 80.750 6.034 -14.287 1.00 0.00 H new ATOM 0 HB2 TYR B 17 79.375 5.068 -11.775 1.00 0.00 H new ATOM 0 HB3 TYR B 17 80.655 6.252 -11.597 1.00 0.00 H new ATOM 0 HD1 TYR B 17 77.333 5.605 -13.128 1.00 0.00 H new ATOM 0 HD2 TYR B 17 80.411 8.520 -12.444 1.00 0.00 H new ATOM 0 HE1 TYR B 17 75.788 7.406 -13.847 1.00 0.00 H new ATOM 0 HE2 TYR B 17 78.868 10.320 -13.163 1.00 0.00 H new ATOM 0 HH TYR B 17 76.828 10.846 -13.898 1.00 0.00 H new ATOM 1729 N SER B 18 82.148 3.608 -12.551 1.00 0.00 N ATOM 1730 CA SER B 18 83.487 3.091 -12.148 1.00 0.00 C ATOM 1731 C SER B 18 84.219 2.471 -13.343 1.00 0.00 C ATOM 1732 O SER B 18 85.426 2.340 -13.335 1.00 0.00 O ATOM 1733 CB SER B 18 83.310 2.028 -11.064 1.00 0.00 C ATOM 1734 OG SER B 18 84.570 1.435 -10.778 1.00 0.00 O ATOM 0 H SER B 18 81.362 2.998 -12.326 1.00 0.00 H new ATOM 0 HA SER B 18 84.080 3.924 -11.771 1.00 0.00 H new ATOM 0 HB2 SER B 18 82.893 2.477 -10.162 1.00 0.00 H new ATOM 0 HB3 SER B 18 82.604 1.267 -11.396 1.00 0.00 H new ATOM 0 HG SER B 18 84.505 0.463 -10.883 1.00 0.00 H new ATOM 1740 N GLY B 19 83.509 2.085 -14.372 1.00 0.00 N ATOM 1741 CA GLY B 19 84.177 1.471 -15.562 1.00 0.00 C ATOM 1742 C GLY B 19 84.545 2.556 -16.573 1.00 0.00 C ATOM 1743 O GLY B 19 84.833 2.273 -17.719 1.00 0.00 O ATOM 0 H GLY B 19 82.495 2.168 -14.441 1.00 0.00 H new ATOM 0 HA2 GLY B 19 85.073 0.935 -15.250 1.00 0.00 H new ATOM 0 HA3 GLY B 19 83.513 0.741 -16.025 1.00 0.00 H new ATOM 1747 N ARG B 20 84.539 3.797 -16.169 1.00 0.00 N ATOM 1748 CA ARG B 20 84.893 4.890 -17.120 1.00 0.00 C ATOM 1749 C ARG B 20 86.410 5.100 -17.106 1.00 0.00 C ATOM 1750 O ARG B 20 87.068 5.046 -18.126 1.00 0.00 O ATOM 1751 CB ARG B 20 84.202 6.181 -16.682 1.00 0.00 C ATOM 1752 CG ARG B 20 84.343 7.235 -17.781 1.00 0.00 C ATOM 1753 CD ARG B 20 83.652 8.526 -17.342 1.00 0.00 C ATOM 1754 NE ARG B 20 83.756 9.538 -18.432 1.00 0.00 N ATOM 1755 CZ ARG B 20 83.062 10.643 -18.371 1.00 0.00 C ATOM 1756 NH1 ARG B 20 82.258 10.856 -17.364 1.00 0.00 N ATOM 1757 NH2 ARG B 20 83.162 11.529 -19.326 1.00 0.00 N ATOM 0 H ARG B 20 84.305 4.101 -15.224 1.00 0.00 H new ATOM 0 HA ARG B 20 84.569 4.622 -18.125 1.00 0.00 H new ATOM 0 HB2 ARG B 20 83.148 5.991 -16.479 1.00 0.00 H new ATOM 0 HB3 ARG B 20 84.644 6.546 -15.755 1.00 0.00 H new ATOM 0 HG2 ARG B 20 85.397 7.425 -17.984 1.00 0.00 H new ATOM 0 HG3 ARG B 20 83.901 6.870 -18.708 1.00 0.00 H new ATOM 0 HD2 ARG B 20 82.605 8.331 -17.111 1.00 0.00 H new ATOM 0 HD3 ARG B 20 84.114 8.907 -16.431 1.00 0.00 H new ATOM 0 HE ARG B 20 84.371 9.367 -19.228 1.00 0.00 H new ATOM 0 HH11 ARG B 20 82.172 10.159 -16.624 1.00 0.00 H new ATOM 0 HH12 ARG B 20 81.717 11.719 -17.317 1.00 0.00 H new ATOM 0 HH21 ARG B 20 83.781 11.357 -20.118 1.00 0.00 H new ATOM 0 HH22 ARG B 20 82.621 12.392 -19.280 1.00 0.00 H new ATOM 1771 N GLU B 21 86.960 5.323 -15.942 1.00 0.00 N ATOM 1772 CA GLU B 21 88.433 5.531 -15.812 1.00 0.00 C ATOM 1773 C GLU B 21 88.890 5.047 -14.434 1.00 0.00 C ATOM 1774 O GLU B 21 88.105 4.930 -13.514 1.00 0.00 O ATOM 1775 CB GLU B 21 88.778 7.024 -15.951 1.00 0.00 C ATOM 1776 CG GLU B 21 88.677 7.477 -17.414 1.00 0.00 C ATOM 1777 CD GLU B 21 89.723 6.746 -18.261 1.00 0.00 C ATOM 1778 OE1 GLU B 21 90.898 6.886 -17.967 1.00 0.00 O ATOM 1779 OE2 GLU B 21 89.328 6.061 -19.191 1.00 0.00 O ATOM 0 H GLU B 21 86.444 5.371 -15.063 1.00 0.00 H new ATOM 0 HA GLU B 21 88.938 4.971 -16.599 1.00 0.00 H new ATOM 0 HB2 GLU B 21 88.101 7.616 -15.335 1.00 0.00 H new ATOM 0 HB3 GLU B 21 89.787 7.204 -15.579 1.00 0.00 H new ATOM 0 HG2 GLU B 21 87.678 7.273 -17.799 1.00 0.00 H new ATOM 0 HG3 GLU B 21 88.830 8.554 -17.481 1.00 0.00 H new ATOM 1786 N GLY B 22 90.157 4.774 -14.281 1.00 0.00 N ATOM 1787 CA GLY B 22 90.664 4.312 -12.957 1.00 0.00 C ATOM 1788 C GLY B 22 90.335 2.832 -12.759 1.00 0.00 C ATOM 1789 O GLY B 22 90.110 2.101 -13.703 1.00 0.00 O ATOM 0 H GLY B 22 90.862 4.851 -15.014 1.00 0.00 H new ATOM 0 HA2 GLY B 22 91.742 4.465 -12.897 1.00 0.00 H new ATOM 0 HA3 GLY B 22 90.214 4.903 -12.159 1.00 0.00 H new ATOM 1793 N ASP B 23 90.312 2.386 -11.533 1.00 0.00 N ATOM 1794 CA ASP B 23 90.005 0.955 -11.255 1.00 0.00 C ATOM 1795 C ASP B 23 88.601 0.621 -11.767 1.00 0.00 C ATOM 1796 O ASP B 23 87.674 1.392 -11.617 1.00 0.00 O ATOM 1797 CB ASP B 23 90.072 0.724 -9.750 1.00 0.00 C ATOM 1798 CG ASP B 23 91.526 0.819 -9.285 1.00 0.00 C ATOM 1799 OD1 ASP B 23 92.398 0.441 -10.051 1.00 0.00 O ATOM 1800 OD2 ASP B 23 91.743 1.275 -8.174 1.00 0.00 O ATOM 0 H ASP B 23 90.494 2.956 -10.707 1.00 0.00 H new ATOM 0 HA ASP B 23 90.728 0.315 -11.761 1.00 0.00 H new ATOM 0 HB2 ASP B 23 89.463 1.464 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP B 23 89.663 -0.256 -9.503 1.00 0.00 H new ATOM 1805 N LYS B 24 88.442 -0.522 -12.379 1.00 0.00 N ATOM 1806 CA LYS B 24 87.104 -0.905 -12.915 1.00 0.00 C ATOM 1807 C LYS B 24 86.118 -1.185 -11.774 1.00 0.00 C ATOM 1808 O LYS B 24 84.954 -0.849 -11.865 1.00 0.00 O ATOM 1809 CB LYS B 24 87.246 -2.167 -13.778 1.00 0.00 C ATOM 1810 CG LYS B 24 85.897 -2.509 -14.433 1.00 0.00 C ATOM 1811 CD LYS B 24 86.017 -3.809 -15.246 1.00 0.00 C ATOM 1812 CE LYS B 24 86.633 -3.528 -16.620 1.00 0.00 C ATOM 1813 NZ LYS B 24 86.596 -4.772 -17.438 1.00 0.00 N ATOM 0 H LYS B 24 89.182 -1.208 -12.531 1.00 0.00 H new ATOM 0 HA LYS B 24 86.721 -0.078 -13.513 1.00 0.00 H new ATOM 0 HB2 LYS B 24 88.003 -2.009 -14.546 1.00 0.00 H new ATOM 0 HB3 LYS B 24 87.584 -3.002 -13.164 1.00 0.00 H new ATOM 0 HG2 LYS B 24 85.130 -2.620 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS B 24 85.582 -1.692 -15.083 1.00 0.00 H new ATOM 0 HD2 LYS B 24 86.633 -4.528 -14.705 1.00 0.00 H new ATOM 0 HD3 LYS B 24 85.033 -4.261 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS B 24 86.083 -2.732 -17.122 1.00 0.00 H new ATOM 0 HE3 LYS B 24 87.661 -3.183 -16.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 87.013 -4.586 -18.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 87.139 -5.519 -16.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 85.610 -5.081 -17.555 1.00 0.00 H new ATOM 1827 N HIS B 25 86.551 -1.830 -10.715 1.00 0.00 N ATOM 1828 CA HIS B 25 85.612 -2.166 -9.597 1.00 0.00 C ATOM 1829 C HIS B 25 85.757 -1.190 -8.421 1.00 0.00 C ATOM 1830 O HIS B 25 84.867 -1.078 -7.598 1.00 0.00 O ATOM 1831 CB HIS B 25 85.938 -3.578 -9.108 1.00 0.00 C ATOM 1832 CG HIS B 25 85.856 -4.538 -10.265 1.00 0.00 C ATOM 1833 ND1 HIS B 25 84.646 -5.016 -10.744 1.00 0.00 N ATOM 1834 CD2 HIS B 25 86.825 -5.111 -11.055 1.00 0.00 C ATOM 1835 CE1 HIS B 25 84.912 -5.835 -11.778 1.00 0.00 C ATOM 1836 NE2 HIS B 25 86.223 -5.927 -12.007 1.00 0.00 N ATOM 0 H HIS B 25 87.514 -2.138 -10.577 1.00 0.00 H new ATOM 0 HA HIS B 25 84.590 -2.097 -9.969 1.00 0.00 H new ATOM 0 HB2 HIS B 25 86.936 -3.602 -8.671 1.00 0.00 H new ATOM 0 HB3 HIS B 25 85.240 -3.874 -8.325 1.00 0.00 H new ATOM 0 HD2 HIS B 25 87.888 -4.952 -10.952 1.00 0.00 H new ATOM 0 HE1 HIS B 25 84.158 -6.353 -12.351 1.00 0.00 H new ATOM 0 HE2 HIS B 25 86.686 -6.479 -12.728 1.00 0.00 H new ATOM 1845 N LYS B 26 86.868 -0.502 -8.313 1.00 0.00 N ATOM 1846 CA LYS B 26 87.075 0.446 -7.165 1.00 0.00 C ATOM 1847 C LYS B 26 86.990 1.898 -7.642 1.00 0.00 C ATOM 1848 O LYS B 26 87.299 2.214 -8.774 1.00 0.00 O ATOM 1849 CB LYS B 26 88.449 0.193 -6.547 1.00 0.00 C ATOM 1850 CG LYS B 26 88.485 -1.220 -5.976 1.00 0.00 C ATOM 1851 CD LYS B 26 89.855 -1.485 -5.356 1.00 0.00 C ATOM 1852 CE LYS B 26 89.894 -2.916 -4.829 1.00 0.00 C ATOM 1853 NZ LYS B 26 88.826 -3.098 -3.806 1.00 0.00 N ATOM 0 H LYS B 26 87.645 -0.554 -8.972 1.00 0.00 H new ATOM 0 HA LYS B 26 86.294 0.278 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS B 26 89.228 0.315 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS B 26 88.648 0.922 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS B 26 87.705 -1.340 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS B 26 88.284 -1.947 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS B 26 90.639 -1.336 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS B 26 90.044 -0.780 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS B 26 89.751 -3.621 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS B 26 90.870 -3.128 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 89.067 -3.902 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 88.746 -2.235 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 87.919 -3.284 -4.280 1.00 0.00 H new ATOM 1867 N LEU B 27 86.543 2.780 -6.781 1.00 0.00 N ATOM 1868 CA LEU B 27 86.399 4.220 -7.163 1.00 0.00 C ATOM 1869 C LEU B 27 87.627 5.016 -6.700 1.00 0.00 C ATOM 1870 O LEU B 27 87.979 5.023 -5.537 1.00 0.00 O ATOM 1871 CB LEU B 27 85.151 4.795 -6.473 1.00 0.00 C ATOM 1872 CG LEU B 27 83.863 4.371 -7.202 1.00 0.00 C ATOM 1873 CD1 LEU B 27 83.689 5.154 -8.513 1.00 0.00 C ATOM 1874 CD2 LEU B 27 83.900 2.872 -7.509 1.00 0.00 C ATOM 0 H LEU B 27 86.270 2.562 -5.823 1.00 0.00 H new ATOM 0 HA LEU B 27 86.308 4.295 -8.247 1.00 0.00 H new ATOM 0 HB2 LEU B 27 85.115 4.453 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU B 27 85.216 5.883 -6.448 1.00 0.00 H new ATOM 0 HG LEU B 27 83.019 4.590 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU B 27 82.772 4.835 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU B 27 83.632 6.220 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU B 27 84.540 4.962 -9.167 1.00 0.00 H new ATOM 0 HD21 LEU B 27 82.984 2.583 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU B 27 84.758 2.652 -8.144 1.00 0.00 H new ATOM 0 HD23 LEU B 27 83.984 2.312 -6.578 1.00 0.00 H new ATOM 1886 N LYS B 28 88.260 5.709 -7.608 1.00 0.00 N ATOM 1887 CA LYS B 28 89.446 6.536 -7.243 1.00 0.00 C ATOM 1888 C LYS B 28 88.946 7.900 -6.748 1.00 0.00 C ATOM 1889 O LYS B 28 87.823 8.282 -7.011 1.00 0.00 O ATOM 1890 CB LYS B 28 90.338 6.716 -8.478 1.00 0.00 C ATOM 1891 CG LYS B 28 91.674 7.342 -8.074 1.00 0.00 C ATOM 1892 CD LYS B 28 92.552 7.516 -9.317 1.00 0.00 C ATOM 1893 CE LYS B 28 93.897 8.127 -8.918 1.00 0.00 C ATOM 1894 NZ LYS B 28 94.805 8.143 -10.101 1.00 0.00 N ATOM 0 H LYS B 28 88.004 5.738 -8.595 1.00 0.00 H new ATOM 0 HA LYS B 28 90.027 6.050 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS B 28 90.509 5.752 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS B 28 89.837 7.350 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS B 28 91.506 8.307 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS B 28 92.179 6.709 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS B 28 92.709 6.552 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS B 28 92.051 8.158 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS B 28 93.752 9.140 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS B 28 94.345 7.550 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 95.720 8.558 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 94.952 7.170 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 94.377 8.712 -10.859 1.00 0.00 H new ATOM 1908 N LYS B 29 89.745 8.633 -6.018 1.00 0.00 N ATOM 1909 CA LYS B 29 89.264 9.953 -5.506 1.00 0.00 C ATOM 1910 C LYS B 29 88.735 10.802 -6.670 1.00 0.00 C ATOM 1911 O LYS B 29 87.706 11.438 -6.562 1.00 0.00 O ATOM 1912 CB LYS B 29 90.417 10.690 -4.807 1.00 0.00 C ATOM 1913 CG LYS B 29 91.456 11.147 -5.837 1.00 0.00 C ATOM 1914 CD LYS B 29 92.712 11.660 -5.116 1.00 0.00 C ATOM 1915 CE LYS B 29 93.468 10.498 -4.440 1.00 0.00 C ATOM 1916 NZ LYS B 29 93.014 10.375 -3.026 1.00 0.00 N ATOM 0 H LYS B 29 90.698 8.381 -5.756 1.00 0.00 H new ATOM 0 HA LYS B 29 88.459 9.787 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS B 29 90.030 11.552 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS B 29 90.886 10.034 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS B 29 91.717 10.319 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS B 29 91.038 11.935 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS B 29 93.367 12.160 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS B 29 92.430 12.401 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS B 29 93.283 9.567 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS B 29 94.542 10.678 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 93.810 10.574 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 92.248 11.055 -2.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 92.667 9.410 -2.856 1.00 0.00 H new ATOM 1930 N SER B 30 89.419 10.810 -7.781 1.00 0.00 N ATOM 1931 CA SER B 30 88.937 11.609 -8.946 1.00 0.00 C ATOM 1932 C SER B 30 87.596 11.042 -9.416 1.00 0.00 C ATOM 1933 O SER B 30 86.693 11.765 -9.788 1.00 0.00 O ATOM 1934 CB SER B 30 89.960 11.525 -10.081 1.00 0.00 C ATOM 1935 OG SER B 30 90.007 10.192 -10.574 1.00 0.00 O ATOM 0 H SER B 30 90.289 10.300 -7.934 1.00 0.00 H new ATOM 0 HA SER B 30 88.812 12.652 -8.655 1.00 0.00 H new ATOM 0 HB2 SER B 30 89.688 12.212 -10.882 1.00 0.00 H new ATOM 0 HB3 SER B 30 90.944 11.827 -9.722 1.00 0.00 H new ATOM 0 HG SER B 30 90.660 10.135 -11.302 1.00 0.00 H new ATOM 1941 N GLU B 31 87.467 9.747 -9.383 1.00 0.00 N ATOM 1942 CA GLU B 31 86.191 9.100 -9.806 1.00 0.00 C ATOM 1943 C GLU B 31 85.102 9.434 -8.785 1.00 0.00 C ATOM 1944 O GLU B 31 83.961 9.683 -9.121 1.00 0.00 O ATOM 1945 CB GLU B 31 86.384 7.583 -9.851 1.00 0.00 C ATOM 1946 CG GLU B 31 87.317 7.212 -11.003 1.00 0.00 C ATOM 1947 CD GLU B 31 87.558 5.702 -10.990 1.00 0.00 C ATOM 1948 OE1 GLU B 31 86.756 4.988 -11.568 1.00 0.00 O ATOM 1949 OE2 GLU B 31 88.540 5.285 -10.396 1.00 0.00 O ATOM 0 H GLU B 31 88.196 9.101 -9.079 1.00 0.00 H new ATOM 0 HA GLU B 31 85.903 9.463 -10.792 1.00 0.00 H new ATOM 0 HB2 GLU B 31 86.801 7.232 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU B 31 85.421 7.089 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU B 31 86.878 7.514 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU B 31 88.263 7.744 -10.906 1.00 0.00 H new ATOM 1956 N LEU B 32 85.463 9.430 -7.533 1.00 0.00 N ATOM 1957 CA LEU B 32 84.480 9.737 -6.459 1.00 0.00 C ATOM 1958 C LEU B 32 84.054 11.207 -6.563 1.00 0.00 C ATOM 1959 O LEU B 32 82.887 11.535 -6.474 1.00 0.00 O ATOM 1960 CB LEU B 32 85.139 9.462 -5.103 1.00 0.00 C ATOM 1961 CG LEU B 32 84.077 9.361 -3.992 1.00 0.00 C ATOM 1962 CD1 LEU B 32 84.720 8.747 -2.742 1.00 0.00 C ATOM 1963 CD2 LEU B 32 83.492 10.757 -3.664 1.00 0.00 C ATOM 0 H LEU B 32 86.407 9.225 -7.205 1.00 0.00 H new ATOM 0 HA LEU B 32 83.593 9.112 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU B 32 85.710 8.535 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU B 32 85.844 10.259 -4.867 1.00 0.00 H new ATOM 0 HG LEU B 32 83.259 8.727 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU B 32 83.975 8.671 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU B 32 85.100 7.753 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU B 32 85.542 9.379 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU B 32 82.744 10.662 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU B 32 84.292 11.417 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU B 32 83.028 11.176 -4.557 1.00 0.00 H new ATOM 1975 N LYS B 33 84.993 12.090 -6.766 1.00 0.00 N ATOM 1976 CA LYS B 33 84.648 13.537 -6.892 1.00 0.00 C ATOM 1977 C LYS B 33 83.731 13.739 -8.107 1.00 0.00 C ATOM 1978 O LYS B 33 82.790 14.504 -8.069 1.00 0.00 O ATOM 1979 CB LYS B 33 85.943 14.343 -7.072 1.00 0.00 C ATOM 1980 CG LYS B 33 85.628 15.838 -7.190 1.00 0.00 C ATOM 1981 CD LYS B 33 86.935 16.621 -7.361 1.00 0.00 C ATOM 1982 CE LYS B 33 86.630 18.117 -7.442 1.00 0.00 C ATOM 1983 NZ LYS B 33 85.875 18.404 -8.694 1.00 0.00 N ATOM 0 H LYS B 33 85.986 11.873 -6.850 1.00 0.00 H new ATOM 0 HA LYS B 33 84.129 13.877 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS B 33 86.607 14.170 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS B 33 86.469 14.004 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS B 33 84.970 16.016 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS B 33 85.099 16.181 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS B 33 87.603 16.421 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS B 33 87.450 16.295 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS B 33 86.048 18.428 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS B 33 87.557 18.689 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 85.930 19.420 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 86.287 17.862 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 84.879 18.130 -8.570 1.00 0.00 H new ATOM 1997 N GLU B 34 84.008 13.052 -9.183 1.00 0.00 N ATOM 1998 CA GLU B 34 83.160 13.199 -10.403 1.00 0.00 C ATOM 1999 C GLU B 34 81.717 12.803 -10.082 1.00 0.00 C ATOM 2000 O GLU B 34 80.778 13.455 -10.495 1.00 0.00 O ATOM 2001 CB GLU B 34 83.705 12.300 -11.520 1.00 0.00 C ATOM 2002 CG GLU B 34 82.849 12.457 -12.781 1.00 0.00 C ATOM 2003 CD GLU B 34 83.418 11.580 -13.896 1.00 0.00 C ATOM 2004 OE1 GLU B 34 84.494 11.036 -13.706 1.00 0.00 O ATOM 2005 OE2 GLU B 34 82.771 11.470 -14.925 1.00 0.00 O ATOM 0 H GLU B 34 84.784 12.396 -9.271 1.00 0.00 H new ATOM 0 HA GLU B 34 83.182 14.238 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU B 34 84.740 12.563 -11.738 1.00 0.00 H new ATOM 0 HB3 GLU B 34 83.702 11.260 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU B 34 81.818 12.173 -12.571 1.00 0.00 H new ATOM 0 HG3 GLU B 34 82.835 13.500 -13.096 1.00 0.00 H new ATOM 2012 N LEU B 35 81.533 11.727 -9.372 1.00 0.00 N ATOM 2013 CA LEU B 35 80.152 11.263 -9.048 1.00 0.00 C ATOM 2014 C LEU B 35 79.415 12.351 -8.256 1.00 0.00 C ATOM 2015 O LEU B 35 78.263 12.642 -8.508 1.00 0.00 O ATOM 2016 CB LEU B 35 80.261 9.984 -8.201 1.00 0.00 C ATOM 2017 CG LEU B 35 78.870 9.413 -7.873 1.00 0.00 C ATOM 2018 CD1 LEU B 35 78.234 8.805 -9.131 1.00 0.00 C ATOM 2019 CD2 LEU B 35 79.020 8.326 -6.803 1.00 0.00 C ATOM 0 H LEU B 35 82.282 11.144 -8.999 1.00 0.00 H new ATOM 0 HA LEU B 35 79.596 11.060 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU B 35 80.846 9.238 -8.739 1.00 0.00 H new ATOM 0 HB3 LEU B 35 80.795 10.202 -7.276 1.00 0.00 H new ATOM 0 HG LEU B 35 78.228 10.215 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU B 35 77.251 8.405 -8.884 1.00 0.00 H new ATOM 0 HD12 LEU B 35 78.131 9.575 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU B 35 78.868 8.002 -9.508 1.00 0.00 H new ATOM 0 HD21 LEU B 35 78.040 7.914 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU B 35 79.665 7.532 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU B 35 79.462 8.758 -5.905 1.00 0.00 H new ATOM 2031 N ILE B 36 80.066 12.947 -7.300 1.00 0.00 N ATOM 2032 CA ILE B 36 79.405 14.010 -6.490 1.00 0.00 C ATOM 2033 C ILE B 36 78.961 15.170 -7.394 1.00 0.00 C ATOM 2034 O ILE B 36 77.846 15.645 -7.311 1.00 0.00 O ATOM 2035 CB ILE B 36 80.399 14.522 -5.442 1.00 0.00 C ATOM 2036 CG1 ILE B 36 80.641 13.428 -4.396 1.00 0.00 C ATOM 2037 CG2 ILE B 36 79.839 15.772 -4.752 1.00 0.00 C ATOM 2038 CD1 ILE B 36 81.821 13.820 -3.503 1.00 0.00 C ATOM 0 H ILE B 36 81.032 12.744 -7.042 1.00 0.00 H new ATOM 0 HA ILE B 36 78.524 13.597 -5.999 1.00 0.00 H new ATOM 0 HB ILE B 36 81.338 14.777 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE B 36 79.746 13.286 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE B 36 80.846 12.478 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE B 36 80.553 16.128 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE B 36 79.668 16.552 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE B 36 78.897 15.526 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE B 36 81.990 13.040 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE B 36 82.716 13.940 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE B 36 81.598 14.760 -2.998 1.00 0.00 H new ATOM 2050 N ASN B 37 79.839 15.642 -8.235 1.00 0.00 N ATOM 2051 CA ASN B 37 79.491 16.788 -9.126 1.00 0.00 C ATOM 2052 C ASN B 37 78.312 16.440 -10.042 1.00 0.00 C ATOM 2053 O ASN B 37 77.448 17.258 -10.289 1.00 0.00 O ATOM 2054 CB ASN B 37 80.708 17.137 -9.985 1.00 0.00 C ATOM 2055 CG ASN B 37 80.374 18.327 -10.887 1.00 0.00 C ATOM 2056 OD1 ASN B 37 79.416 19.035 -10.647 1.00 0.00 O ATOM 2057 ND2 ASN B 37 81.128 18.575 -11.921 1.00 0.00 N ATOM 0 H ASN B 37 80.787 15.283 -8.345 1.00 0.00 H new ATOM 0 HA ASN B 37 79.204 17.636 -8.504 1.00 0.00 H new ATOM 0 HB2 ASN B 37 81.559 17.378 -9.348 1.00 0.00 H new ATOM 0 HB3 ASN B 37 80.997 16.278 -10.591 1.00 0.00 H new ATOM 0 HD21 ASN B 37 80.914 19.365 -12.530 1.00 0.00 H new ATOM 0 HD22 ASN B 37 81.932 17.980 -12.121 1.00 0.00 H new ATOM 2064 N ASN B 38 78.278 15.243 -10.568 1.00 0.00 N ATOM 2065 CA ASN B 38 77.162 14.860 -11.491 1.00 0.00 C ATOM 2066 C ASN B 38 76.002 14.220 -10.723 1.00 0.00 C ATOM 2067 O ASN B 38 74.868 14.272 -11.155 1.00 0.00 O ATOM 2068 CB ASN B 38 77.682 13.863 -12.531 1.00 0.00 C ATOM 2069 CG ASN B 38 78.270 12.641 -11.823 1.00 0.00 C ATOM 2070 OD1 ASN B 38 77.524 11.959 -11.000 1.00 0.00 O flip ATOM 2071 ND2 ASN B 38 79.418 12.302 -12.025 1.00 0.00 N flip ATOM 0 H ASN B 38 78.972 14.514 -10.400 1.00 0.00 H new ATOM 0 HA ASN B 38 76.798 15.764 -11.979 1.00 0.00 H new ATOM 0 HB2 ASN B 38 76.872 13.557 -13.193 1.00 0.00 H new ATOM 0 HB3 ASN B 38 78.442 14.335 -13.154 1.00 0.00 H new ATOM 0 HD21 ASN B 38 80.002 12.836 -12.669 1.00 0.00 H new ATOM 0 HD22 ASN B 38 79.799 11.483 -11.551 1.00 0.00 H new ATOM 2078 N GLU B 39 76.265 13.596 -9.606 1.00 0.00 N ATOM 2079 CA GLU B 39 75.158 12.936 -8.845 1.00 0.00 C ATOM 2080 C GLU B 39 74.537 13.915 -7.838 1.00 0.00 C ATOM 2081 O GLU B 39 73.456 14.430 -8.046 1.00 0.00 O ATOM 2082 CB GLU B 39 75.711 11.707 -8.108 1.00 0.00 C ATOM 2083 CG GLU B 39 74.566 10.742 -7.775 1.00 0.00 C ATOM 2084 CD GLU B 39 74.143 9.996 -9.043 1.00 0.00 C ATOM 2085 OE1 GLU B 39 74.933 9.210 -9.536 1.00 0.00 O ATOM 2086 OE2 GLU B 39 73.034 10.224 -9.498 1.00 0.00 O ATOM 0 H GLU B 39 77.192 13.513 -9.187 1.00 0.00 H new ATOM 0 HA GLU B 39 74.382 12.625 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU B 39 76.454 11.204 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU B 39 76.215 12.017 -7.193 1.00 0.00 H new ATOM 0 HG2 GLU B 39 74.885 10.032 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU B 39 73.720 11.293 -7.365 1.00 0.00 H new ATOM 2093 N LEU B 40 75.200 14.152 -6.737 1.00 0.00 N ATOM 2094 CA LEU B 40 74.639 15.069 -5.699 1.00 0.00 C ATOM 2095 C LEU B 40 74.918 16.531 -6.077 1.00 0.00 C ATOM 2096 O LEU B 40 76.035 16.899 -6.383 1.00 0.00 O ATOM 2097 CB LEU B 40 75.298 14.756 -4.344 1.00 0.00 C ATOM 2098 CG LEU B 40 74.643 13.526 -3.697 1.00 0.00 C ATOM 2099 CD1 LEU B 40 75.013 12.267 -4.486 1.00 0.00 C ATOM 2100 CD2 LEU B 40 75.148 13.374 -2.255 1.00 0.00 C ATOM 0 H LEU B 40 76.109 13.749 -6.510 1.00 0.00 H new ATOM 0 HA LEU B 40 73.561 14.921 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU B 40 76.364 14.576 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU B 40 75.205 15.616 -3.681 1.00 0.00 H new ATOM 0 HG LEU B 40 73.561 13.657 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU B 40 74.546 11.397 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU B 40 74.661 12.365 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU B 40 76.096 12.142 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU B 40 74.683 12.501 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU B 40 76.231 13.248 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU B 40 74.889 14.265 -1.683 1.00 0.00 H new ATOM 2112 N SER B 41 73.904 17.368 -6.041 1.00 0.00 N ATOM 2113 CA SER B 41 74.090 18.819 -6.379 1.00 0.00 C ATOM 2114 C SER B 41 73.468 19.684 -5.275 1.00 0.00 C ATOM 2115 O SER B 41 74.133 20.503 -4.672 1.00 0.00 O ATOM 2116 CB SER B 41 73.413 19.134 -7.715 1.00 0.00 C ATOM 2117 OG SER B 41 72.026 19.355 -7.501 1.00 0.00 O ATOM 0 H SER B 41 72.950 17.106 -5.791 1.00 0.00 H new ATOM 0 HA SER B 41 75.156 19.035 -6.458 1.00 0.00 H new ATOM 0 HB2 SER B 41 73.868 20.016 -8.166 1.00 0.00 H new ATOM 0 HB3 SER B 41 73.558 18.309 -8.412 1.00 0.00 H new ATOM 0 HG SER B 41 71.592 19.559 -8.356 1.00 0.00 H new ATOM 2123 N HIS B 42 72.195 19.520 -5.006 1.00 0.00 N ATOM 2124 CA HIS B 42 71.541 20.347 -3.942 1.00 0.00 C ATOM 2125 C HIS B 42 71.749 19.706 -2.563 1.00 0.00 C ATOM 2126 O HIS B 42 71.330 20.243 -1.557 1.00 0.00 O ATOM 2127 CB HIS B 42 70.040 20.481 -4.235 1.00 0.00 C ATOM 2128 CG HIS B 42 69.503 19.184 -4.775 1.00 0.00 C ATOM 2129 ND1 HIS B 42 70.219 17.998 -4.707 1.00 0.00 N ATOM 2130 CD2 HIS B 42 68.323 18.876 -5.407 1.00 0.00 C ATOM 2131 CE1 HIS B 42 69.470 17.039 -5.285 1.00 0.00 C ATOM 2132 NE2 HIS B 42 68.308 17.525 -5.727 1.00 0.00 N ATOM 0 H HIS B 42 71.583 18.852 -5.475 1.00 0.00 H new ATOM 0 HA HIS B 42 71.996 21.337 -3.939 1.00 0.00 H new ATOM 0 HB2 HIS B 42 69.506 20.754 -3.325 1.00 0.00 H new ATOM 0 HB3 HIS B 42 69.872 21.282 -4.955 1.00 0.00 H new ATOM 0 HD2 HIS B 42 67.529 19.576 -5.622 1.00 0.00 H new ATOM 0 HE1 HIS B 42 69.772 16.006 -5.379 1.00 0.00 H new ATOM 0 HE2 HIS B 42 67.565 17.011 -6.201 1.00 0.00 H new ATOM 2141 N PHE B 43 72.390 18.566 -2.502 1.00 0.00 N ATOM 2142 CA PHE B 43 72.616 17.901 -1.178 1.00 0.00 C ATOM 2143 C PHE B 43 74.027 18.224 -0.685 1.00 0.00 C ATOM 2144 O PHE B 43 74.424 17.829 0.393 1.00 0.00 O ATOM 2145 CB PHE B 43 72.467 16.382 -1.329 1.00 0.00 C ATOM 2146 CG PHE B 43 71.002 16.020 -1.441 1.00 0.00 C ATOM 2147 CD1 PHE B 43 70.162 16.171 -0.331 1.00 0.00 C ATOM 2148 CD2 PHE B 43 70.484 15.526 -2.647 1.00 0.00 C ATOM 2149 CE1 PHE B 43 68.806 15.833 -0.425 1.00 0.00 C ATOM 2150 CE2 PHE B 43 69.128 15.189 -2.740 1.00 0.00 C ATOM 2151 CZ PHE B 43 68.290 15.341 -1.629 1.00 0.00 C ATOM 0 H PHE B 43 72.766 18.067 -3.308 1.00 0.00 H new ATOM 0 HA PHE B 43 71.881 18.266 -0.460 1.00 0.00 H new ATOM 0 HB2 PHE B 43 73.004 16.041 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE B 43 72.912 15.877 -0.472 1.00 0.00 H new ATOM 0 HD1 PHE B 43 70.560 16.549 0.599 1.00 0.00 H new ATOM 0 HD2 PHE B 43 71.131 15.406 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE B 43 68.159 15.952 0.431 1.00 0.00 H new ATOM 0 HE2 PHE B 43 68.728 14.812 -3.670 1.00 0.00 H new ATOM 0 HZ PHE B 43 67.245 15.078 -1.701 1.00 0.00 H new ATOM 2161 N LEU B 44 74.783 18.955 -1.459 1.00 0.00 N ATOM 2162 CA LEU B 44 76.169 19.330 -1.039 1.00 0.00 C ATOM 2163 C LEU B 44 76.465 20.752 -1.521 1.00 0.00 C ATOM 2164 O LEU B 44 75.947 21.201 -2.523 1.00 0.00 O ATOM 2165 CB LEU B 44 77.186 18.352 -1.644 1.00 0.00 C ATOM 2166 CG LEU B 44 77.065 16.962 -0.986 1.00 0.00 C ATOM 2167 CD1 LEU B 44 77.909 15.950 -1.779 1.00 0.00 C ATOM 2168 CD2 LEU B 44 77.570 17.010 0.472 1.00 0.00 C ATOM 0 H LEU B 44 74.500 19.312 -2.371 1.00 0.00 H new ATOM 0 HA LEU B 44 76.246 19.284 0.047 1.00 0.00 H new ATOM 0 HB2 LEU B 44 77.021 18.267 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU B 44 78.196 18.738 -1.506 1.00 0.00 H new ATOM 0 HG LEU B 44 76.017 16.661 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU B 44 77.826 14.966 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU B 44 77.547 15.900 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU B 44 78.952 16.265 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU B 44 77.478 16.021 0.922 1.00 0.00 H new ATOM 0 HD22 LEU B 44 78.615 17.318 0.485 1.00 0.00 H new ATOM 0 HD23 LEU B 44 76.974 17.724 1.040 1.00 0.00 H new ATOM 2180 N GLU B 45 77.289 21.467 -0.806 1.00 0.00 N ATOM 2181 CA GLU B 45 77.611 22.865 -1.213 1.00 0.00 C ATOM 2182 C GLU B 45 78.508 22.852 -2.455 1.00 0.00 C ATOM 2183 O GLU B 45 78.045 23.030 -3.564 1.00 0.00 O ATOM 2184 CB GLU B 45 78.332 23.569 -0.062 1.00 0.00 C ATOM 2185 CG GLU B 45 77.342 23.809 1.081 1.00 0.00 C ATOM 2186 CD GLU B 45 78.051 24.513 2.239 1.00 0.00 C ATOM 2187 OE1 GLU B 45 79.259 24.667 2.162 1.00 0.00 O ATOM 2188 OE2 GLU B 45 77.375 24.880 3.186 1.00 0.00 O ATOM 0 H GLU B 45 77.754 21.144 0.043 1.00 0.00 H new ATOM 0 HA GLU B 45 76.689 23.397 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU B 45 79.167 22.961 0.286 1.00 0.00 H new ATOM 0 HB3 GLU B 45 78.748 24.517 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU B 45 76.507 24.416 0.730 1.00 0.00 H new ATOM 0 HG3 GLU B 45 76.926 22.860 1.420 1.00 0.00 H new ATOM 2195 N GLU B 46 79.785 22.644 -2.285 1.00 0.00 N ATOM 2196 CA GLU B 46 80.695 22.624 -3.468 1.00 0.00 C ATOM 2197 C GLU B 46 82.084 22.148 -3.045 1.00 0.00 C ATOM 2198 O GLU B 46 82.612 22.567 -2.034 1.00 0.00 O ATOM 2199 CB GLU B 46 80.809 24.032 -4.057 1.00 0.00 C ATOM 2200 CG GLU B 46 81.693 23.992 -5.306 1.00 0.00 C ATOM 2201 CD GLU B 46 81.630 25.340 -6.025 1.00 0.00 C ATOM 2202 OE1 GLU B 46 80.924 26.211 -5.547 1.00 0.00 O ATOM 2203 OE2 GLU B 46 82.289 25.478 -7.042 1.00 0.00 O ATOM 0 H GLU B 46 80.237 22.488 -1.384 1.00 0.00 H new ATOM 0 HA GLU B 46 80.286 21.944 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU B 46 79.820 24.413 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU B 46 81.234 24.713 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU B 46 82.722 23.765 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU B 46 81.360 23.197 -5.973 1.00 0.00 H new ATOM 2210 N ILE B 47 82.688 21.284 -3.816 1.00 0.00 N ATOM 2211 CA ILE B 47 84.049 20.798 -3.458 1.00 0.00 C ATOM 2212 C ILE B 47 85.071 21.819 -3.959 1.00 0.00 C ATOM 2213 O ILE B 47 85.290 21.960 -5.145 1.00 0.00 O ATOM 2214 CB ILE B 47 84.308 19.447 -4.136 1.00 0.00 C ATOM 2215 CG1 ILE B 47 83.237 18.424 -3.712 1.00 0.00 C ATOM 2216 CG2 ILE B 47 85.694 18.927 -3.749 1.00 0.00 C ATOM 2217 CD1 ILE B 47 83.169 18.289 -2.182 1.00 0.00 C ATOM 0 H ILE B 47 82.298 20.896 -4.675 1.00 0.00 H new ATOM 0 HA ILE B 47 84.131 20.677 -2.378 1.00 0.00 H new ATOM 0 HB ILE B 47 84.262 19.584 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE B 47 82.264 18.732 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE B 47 83.462 17.454 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE B 47 85.871 17.967 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE B 47 86.453 19.641 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE B 47 85.747 18.802 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE B 47 82.404 17.560 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE B 47 84.135 17.957 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE B 47 82.919 19.255 -1.742 1.00 0.00 H new ATOM 2229 N LYS B 48 85.689 22.543 -3.066 1.00 0.00 N ATOM 2230 CA LYS B 48 86.687 23.571 -3.489 1.00 0.00 C ATOM 2231 C LYS B 48 88.082 22.946 -3.566 1.00 0.00 C ATOM 2232 O LYS B 48 88.606 22.702 -4.636 1.00 0.00 O ATOM 2233 CB LYS B 48 86.692 24.715 -2.474 1.00 0.00 C ATOM 2234 CG LYS B 48 87.578 25.851 -2.988 1.00 0.00 C ATOM 2235 CD LYS B 48 87.580 26.996 -1.974 1.00 0.00 C ATOM 2236 CE LYS B 48 88.499 28.113 -2.468 1.00 0.00 C ATOM 2237 NZ LYS B 48 88.524 29.214 -1.466 1.00 0.00 N ATOM 0 H LYS B 48 85.547 22.468 -2.059 1.00 0.00 H new ATOM 0 HA LYS B 48 86.416 23.954 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS B 48 85.676 25.076 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS B 48 87.060 24.360 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS B 48 88.594 25.490 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS B 48 87.211 26.205 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS B 48 86.568 27.377 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS B 48 87.918 26.635 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS B 48 89.506 27.727 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS B 48 88.148 28.489 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 89.149 29.974 -1.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 87.562 29.588 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 88.878 28.850 -0.559 1.00 0.00 H new ATOM 2251 N GLU B 49 88.695 22.703 -2.439 1.00 0.00 N ATOM 2252 CA GLU B 49 90.067 22.113 -2.432 1.00 0.00 C ATOM 2253 C GLU B 49 89.981 20.585 -2.343 1.00 0.00 C ATOM 2254 O GLU B 49 89.116 20.039 -1.686 1.00 0.00 O ATOM 2255 CB GLU B 49 90.827 22.656 -1.220 1.00 0.00 C ATOM 2256 CG GLU B 49 91.010 24.169 -1.379 1.00 0.00 C ATOM 2257 CD GLU B 49 91.768 24.729 -0.174 1.00 0.00 C ATOM 2258 OE1 GLU B 49 91.944 23.996 0.785 1.00 0.00 O ATOM 2259 OE2 GLU B 49 92.158 25.884 -0.232 1.00 0.00 O ATOM 0 H GLU B 49 88.302 22.889 -1.516 1.00 0.00 H new ATOM 0 HA GLU B 49 90.587 22.381 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU B 49 90.278 22.438 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU B 49 91.797 22.167 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU B 49 91.558 24.384 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU B 49 90.038 24.655 -1.467 1.00 0.00 H new ATOM 2266 N GLN B 50 90.874 19.890 -3.003 1.00 0.00 N ATOM 2267 CA GLN B 50 90.846 18.398 -2.959 1.00 0.00 C ATOM 2268 C GLN B 50 91.227 17.929 -1.553 1.00 0.00 C ATOM 2269 O GLN B 50 90.815 16.880 -1.103 1.00 0.00 O ATOM 2270 CB GLN B 50 91.841 17.820 -3.969 1.00 0.00 C ATOM 2271 CG GLN B 50 91.342 18.069 -5.393 1.00 0.00 C ATOM 2272 CD GLN B 50 92.348 17.483 -6.388 1.00 0.00 C ATOM 2273 OE1 GLN B 50 92.882 16.415 -6.165 1.00 0.00 O ATOM 2274 NE2 GLN B 50 92.627 18.133 -7.484 1.00 0.00 N ATOM 0 H GLN B 50 91.620 20.292 -3.570 1.00 0.00 H new ATOM 0 HA GLN B 50 89.843 18.053 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN B 50 92.820 18.280 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN B 50 91.964 16.750 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN B 50 90.363 17.610 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN B 50 91.221 19.138 -5.567 1.00 0.00 H new ATOM 0 HE21 GLN B 50 92.180 19.030 -7.673 1.00 0.00 H new ATOM 0 HE22 GLN B 50 93.293 17.744 -8.152 1.00 0.00 H new ATOM 2283 N GLU B 51 92.016 18.696 -0.856 1.00 0.00 N ATOM 2284 CA GLU B 51 92.422 18.285 0.519 1.00 0.00 C ATOM 2285 C GLU B 51 91.166 18.007 1.341 1.00 0.00 C ATOM 2286 O GLU B 51 91.159 17.168 2.220 1.00 0.00 O ATOM 2287 CB GLU B 51 93.225 19.405 1.178 1.00 0.00 C ATOM 2288 CG GLU B 51 94.587 19.526 0.497 1.00 0.00 C ATOM 2289 CD GLU B 51 95.364 20.687 1.121 1.00 0.00 C ATOM 2290 OE1 GLU B 51 94.809 21.351 1.980 1.00 0.00 O ATOM 2291 OE2 GLU B 51 96.501 20.889 0.731 1.00 0.00 O ATOM 0 H GLU B 51 92.397 19.587 -1.176 1.00 0.00 H new ATOM 0 HA GLU B 51 93.040 17.388 0.467 1.00 0.00 H new ATOM 0 HB2 GLU B 51 92.684 20.348 1.102 1.00 0.00 H new ATOM 0 HB3 GLU B 51 93.355 19.197 2.240 1.00 0.00 H new ATOM 0 HG2 GLU B 51 95.146 18.597 0.609 1.00 0.00 H new ATOM 0 HG3 GLU B 51 94.458 19.693 -0.572 1.00 0.00 H new ATOM 2298 N VAL B 52 90.094 18.682 1.037 1.00 0.00 N ATOM 2299 CA VAL B 52 88.821 18.439 1.768 1.00 0.00 C ATOM 2300 C VAL B 52 88.291 17.057 1.368 1.00 0.00 C ATOM 2301 O VAL B 52 87.719 16.338 2.163 1.00 0.00 O ATOM 2302 CB VAL B 52 87.797 19.520 1.393 1.00 0.00 C ATOM 2303 CG1 VAL B 52 86.429 19.161 1.979 1.00 0.00 C ATOM 2304 CG2 VAL B 52 88.249 20.883 1.943 1.00 0.00 C ATOM 0 H VAL B 52 90.045 19.395 0.310 1.00 0.00 H new ATOM 0 HA VAL B 52 88.991 18.476 2.844 1.00 0.00 H new ATOM 0 HB VAL B 52 87.723 19.577 0.307 1.00 0.00 H new ATOM 0 HG11 VAL B 52 85.705 19.930 1.711 1.00 0.00 H new ATOM 0 HG12 VAL B 52 86.103 18.201 1.580 1.00 0.00 H new ATOM 0 HG13 VAL B 52 86.504 19.096 3.064 1.00 0.00 H new ATOM 0 HG21 VAL B 52 87.518 21.645 1.673 1.00 0.00 H new ATOM 0 HG22 VAL B 52 88.332 20.828 3.028 1.00 0.00 H new ATOM 0 HG23 VAL B 52 89.218 21.144 1.518 1.00 0.00 H new ATOM 2314 N VAL B 53 88.497 16.683 0.131 1.00 0.00 N ATOM 2315 CA VAL B 53 88.029 15.346 -0.340 1.00 0.00 C ATOM 2316 C VAL B 53 88.848 14.253 0.348 1.00 0.00 C ATOM 2317 O VAL B 53 88.327 13.232 0.754 1.00 0.00 O ATOM 2318 CB VAL B 53 88.201 15.251 -1.862 1.00 0.00 C ATOM 2319 CG1 VAL B 53 87.966 13.814 -2.333 1.00 0.00 C ATOM 2320 CG2 VAL B 53 87.185 16.169 -2.545 1.00 0.00 C ATOM 0 H VAL B 53 88.970 17.248 -0.574 1.00 0.00 H new ATOM 0 HA VAL B 53 86.976 15.216 -0.092 1.00 0.00 H new ATOM 0 HB VAL B 53 89.216 15.553 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL B 53 88.091 13.761 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL B 53 88.685 13.151 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL B 53 86.954 13.505 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL B 53 87.305 16.104 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL B 53 86.176 15.861 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL B 53 87.350 17.197 -2.223 1.00 0.00 H new ATOM 2330 N ASP B 54 90.128 14.458 0.477 1.00 0.00 N ATOM 2331 CA ASP B 54 90.986 13.435 1.134 1.00 0.00 C ATOM 2332 C ASP B 54 90.498 13.216 2.565 1.00 0.00 C ATOM 2333 O ASP B 54 90.452 12.104 3.054 1.00 0.00 O ATOM 2334 CB ASP B 54 92.439 13.916 1.145 1.00 0.00 C ATOM 2335 CG ASP B 54 93.324 12.861 1.812 1.00 0.00 C ATOM 2336 OD1 ASP B 54 92.777 11.933 2.386 1.00 0.00 O ATOM 2337 OD2 ASP B 54 94.534 12.996 1.734 1.00 0.00 O ATOM 0 H ASP B 54 90.618 15.292 0.155 1.00 0.00 H new ATOM 0 HA ASP B 54 90.928 12.496 0.584 1.00 0.00 H new ATOM 0 HB2 ASP B 54 92.780 14.099 0.126 1.00 0.00 H new ATOM 0 HB3 ASP B 54 92.516 14.862 1.682 1.00 0.00 H new ATOM 2342 N LYS B 55 90.125 14.269 3.236 1.00 0.00 N ATOM 2343 CA LYS B 55 89.629 14.118 4.632 1.00 0.00 C ATOM 2344 C LYS B 55 88.400 13.215 4.621 1.00 0.00 C ATOM 2345 O LYS B 55 88.272 12.303 5.412 1.00 0.00 O ATOM 2346 CB LYS B 55 89.240 15.488 5.193 1.00 0.00 C ATOM 2347 CG LYS B 55 88.741 15.326 6.634 1.00 0.00 C ATOM 2348 CD LYS B 55 88.566 16.704 7.288 1.00 0.00 C ATOM 2349 CE LYS B 55 87.311 17.394 6.740 1.00 0.00 C ATOM 2350 NZ LYS B 55 87.023 18.607 7.555 1.00 0.00 N ATOM 0 H LYS B 55 90.142 15.225 2.880 1.00 0.00 H new ATOM 0 HA LYS B 55 90.411 13.683 5.254 1.00 0.00 H new ATOM 0 HB2 LYS B 55 90.097 16.161 5.167 1.00 0.00 H new ATOM 0 HB3 LYS B 55 88.463 15.938 4.576 1.00 0.00 H new ATOM 0 HG2 LYS B 55 87.793 14.788 6.641 1.00 0.00 H new ATOM 0 HG3 LYS B 55 89.450 14.729 7.208 1.00 0.00 H new ATOM 0 HD2 LYS B 55 88.487 16.594 8.370 1.00 0.00 H new ATOM 0 HD3 LYS B 55 89.443 17.321 7.094 1.00 0.00 H new ATOM 0 HE2 LYS B 55 87.460 17.670 5.696 1.00 0.00 H new ATOM 0 HE3 LYS B 55 86.463 16.710 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 86.172 19.079 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 86.865 18.331 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 87.831 19.260 7.503 1.00 0.00 H new ATOM 2364 N VAL B 56 87.491 13.471 3.723 1.00 0.00 N ATOM 2365 CA VAL B 56 86.259 12.642 3.646 1.00 0.00 C ATOM 2366 C VAL B 56 86.634 11.197 3.302 1.00 0.00 C ATOM 2367 O VAL B 56 86.070 10.258 3.826 1.00 0.00 O ATOM 2368 CB VAL B 56 85.338 13.218 2.562 1.00 0.00 C ATOM 2369 CG1 VAL B 56 84.181 12.253 2.284 1.00 0.00 C ATOM 2370 CG2 VAL B 56 84.780 14.563 3.036 1.00 0.00 C ATOM 0 H VAL B 56 87.550 14.223 3.036 1.00 0.00 H new ATOM 0 HA VAL B 56 85.742 12.653 4.606 1.00 0.00 H new ATOM 0 HB VAL B 56 85.909 13.358 1.644 1.00 0.00 H new ATOM 0 HG11 VAL B 56 83.534 12.673 1.513 1.00 0.00 H new ATOM 0 HG12 VAL B 56 84.578 11.297 1.943 1.00 0.00 H new ATOM 0 HG13 VAL B 56 83.606 12.102 3.197 1.00 0.00 H new ATOM 0 HG21 VAL B 56 84.125 14.976 2.269 1.00 0.00 H new ATOM 0 HG22 VAL B 56 84.214 14.418 3.956 1.00 0.00 H new ATOM 0 HG23 VAL B 56 85.603 15.254 3.221 1.00 0.00 H new ATOM 2380 N MET B 57 87.573 11.015 2.415 1.00 0.00 N ATOM 2381 CA MET B 57 87.973 9.632 2.028 1.00 0.00 C ATOM 2382 C MET B 57 88.630 8.923 3.214 1.00 0.00 C ATOM 2383 O MET B 57 88.378 7.761 3.468 1.00 0.00 O ATOM 2384 CB MET B 57 88.966 9.702 0.865 1.00 0.00 C ATOM 2385 CG MET B 57 88.240 10.170 -0.399 1.00 0.00 C ATOM 2386 SD MET B 57 89.414 10.253 -1.778 1.00 0.00 S ATOM 2387 CE MET B 57 89.710 8.474 -1.969 1.00 0.00 C ATOM 0 H MET B 57 88.080 11.763 1.942 1.00 0.00 H new ATOM 0 HA MET B 57 87.087 9.074 1.727 1.00 0.00 H new ATOM 0 HB2 MET B 57 89.777 10.389 1.106 1.00 0.00 H new ATOM 0 HB3 MET B 57 89.416 8.723 0.698 1.00 0.00 H new ATOM 0 HG2 MET B 57 87.428 9.483 -0.640 1.00 0.00 H new ATOM 0 HG3 MET B 57 87.790 11.149 -0.231 1.00 0.00 H new ATOM 0 HE1 MET B 57 89.818 8.235 -3.027 1.00 0.00 H new ATOM 0 HE2 MET B 57 90.622 8.198 -1.440 1.00 0.00 H new ATOM 0 HE3 MET B 57 88.868 7.919 -1.556 1.00 0.00 H new ATOM 2397 N GLU B 58 89.470 9.605 3.938 1.00 0.00 N ATOM 2398 CA GLU B 58 90.137 8.954 5.102 1.00 0.00 C ATOM 2399 C GLU B 58 89.075 8.504 6.103 1.00 0.00 C ATOM 2400 O GLU B 58 89.100 7.397 6.602 1.00 0.00 O ATOM 2401 CB GLU B 58 91.093 9.945 5.774 1.00 0.00 C ATOM 2402 CG GLU B 58 91.825 9.254 6.928 1.00 0.00 C ATOM 2403 CD GLU B 58 92.782 10.246 7.591 1.00 0.00 C ATOM 2404 OE1 GLU B 58 92.914 11.344 7.076 1.00 0.00 O ATOM 2405 OE2 GLU B 58 93.369 9.889 8.598 1.00 0.00 O ATOM 0 H GLU B 58 89.724 10.580 3.777 1.00 0.00 H new ATOM 0 HA GLU B 58 90.705 8.090 4.759 1.00 0.00 H new ATOM 0 HB2 GLU B 58 91.813 10.321 5.047 1.00 0.00 H new ATOM 0 HB3 GLU B 58 90.537 10.806 6.146 1.00 0.00 H new ATOM 0 HG2 GLU B 58 91.106 8.882 7.658 1.00 0.00 H new ATOM 0 HG3 GLU B 58 92.378 8.391 6.557 1.00 0.00 H new ATOM 2412 N THR B 59 88.140 9.361 6.396 1.00 0.00 N ATOM 2413 CA THR B 59 87.069 8.999 7.364 1.00 0.00 C ATOM 2414 C THR B 59 86.161 7.938 6.741 1.00 0.00 C ATOM 2415 O THR B 59 85.728 7.010 7.395 1.00 0.00 O ATOM 2416 CB THR B 59 86.239 10.246 7.690 1.00 0.00 C ATOM 2417 OG1 THR B 59 87.085 11.244 8.246 1.00 0.00 O ATOM 2418 CG2 THR B 59 85.147 9.888 8.701 1.00 0.00 C ATOM 0 H THR B 59 88.071 10.301 6.005 1.00 0.00 H new ATOM 0 HA THR B 59 87.518 8.607 8.277 1.00 0.00 H new ATOM 0 HB THR B 59 85.778 10.622 6.776 1.00 0.00 H new ATOM 0 HG1 THR B 59 87.550 11.717 7.525 1.00 0.00 H new ATOM 0 HG21 THR B 59 84.559 10.776 8.931 1.00 0.00 H new ATOM 0 HG22 THR B 59 84.497 9.122 8.279 1.00 0.00 H new ATOM 0 HG23 THR B 59 85.607 9.511 9.615 1.00 0.00 H new ATOM 2426 N LEU B 60 85.868 8.079 5.479 1.00 0.00 N ATOM 2427 CA LEU B 60 84.984 7.089 4.805 1.00 0.00 C ATOM 2428 C LEU B 60 85.713 5.752 4.646 1.00 0.00 C ATOM 2429 O LEU B 60 85.139 4.695 4.824 1.00 0.00 O ATOM 2430 CB LEU B 60 84.584 7.624 3.426 1.00 0.00 C ATOM 2431 CG LEU B 60 83.665 6.623 2.708 1.00 0.00 C ATOM 2432 CD1 LEU B 60 82.385 6.400 3.531 1.00 0.00 C ATOM 2433 CD2 LEU B 60 83.300 7.185 1.329 1.00 0.00 C ATOM 0 H LEU B 60 86.203 8.838 4.885 1.00 0.00 H new ATOM 0 HA LEU B 60 84.092 6.934 5.412 1.00 0.00 H new ATOM 0 HB2 LEU B 60 84.075 8.582 3.534 1.00 0.00 H new ATOM 0 HB3 LEU B 60 85.476 7.803 2.826 1.00 0.00 H new ATOM 0 HG LEU B 60 84.181 5.669 2.596 1.00 0.00 H new ATOM 0 HD11 LEU B 60 81.740 5.689 3.015 1.00 0.00 H new ATOM 0 HD12 LEU B 60 82.648 6.005 4.512 1.00 0.00 H new ATOM 0 HD13 LEU B 60 81.859 7.347 3.650 1.00 0.00 H new ATOM 0 HD21 LEU B 60 82.648 6.482 0.811 1.00 0.00 H new ATOM 0 HD22 LEU B 60 82.784 8.138 1.449 1.00 0.00 H new ATOM 0 HD23 LEU B 60 84.208 7.335 0.745 1.00 0.00 H new ATOM 2445 N ASP B 61 86.964 5.787 4.275 1.00 0.00 N ATOM 2446 CA ASP B 61 87.728 4.524 4.062 1.00 0.00 C ATOM 2447 C ASP B 61 87.917 3.786 5.389 1.00 0.00 C ATOM 2448 O ASP B 61 88.701 4.181 6.228 1.00 0.00 O ATOM 2449 CB ASP B 61 89.095 4.878 3.470 1.00 0.00 C ATOM 2450 CG ASP B 61 89.840 3.603 3.083 1.00 0.00 C ATOM 2451 OD1 ASP B 61 89.418 2.542 3.507 1.00 0.00 O ATOM 2452 OD2 ASP B 61 90.819 3.712 2.365 1.00 0.00 O ATOM 0 H ASP B 61 87.494 6.643 4.109 1.00 0.00 H new ATOM 0 HA ASP B 61 87.178 3.874 3.382 1.00 0.00 H new ATOM 0 HB2 ASP B 61 88.968 5.515 2.595 1.00 0.00 H new ATOM 0 HB3 ASP B 61 89.679 5.445 4.195 1.00 0.00 H new ATOM 2457 N GLU B 62 87.189 2.720 5.581 1.00 0.00 N ATOM 2458 CA GLU B 62 87.310 1.955 6.854 1.00 0.00 C ATOM 2459 C GLU B 62 88.673 1.259 6.928 1.00 0.00 C ATOM 2460 O GLU B 62 89.292 1.199 7.972 1.00 0.00 O ATOM 2461 CB GLU B 62 86.209 0.895 6.919 1.00 0.00 C ATOM 2462 CG GLU B 62 84.847 1.574 7.070 1.00 0.00 C ATOM 2463 CD GLU B 62 84.738 2.202 8.461 1.00 0.00 C ATOM 2464 OE1 GLU B 62 85.515 1.823 9.322 1.00 0.00 O ATOM 2465 OE2 GLU B 62 83.883 3.052 8.640 1.00 0.00 O ATOM 0 H GLU B 62 86.516 2.346 4.912 1.00 0.00 H new ATOM 0 HA GLU B 62 87.213 2.648 7.689 1.00 0.00 H new ATOM 0 HB2 GLU B 62 86.224 0.286 6.015 1.00 0.00 H new ATOM 0 HB3 GLU B 62 86.386 0.224 7.759 1.00 0.00 H new ATOM 0 HG2 GLU B 62 84.724 2.339 6.304 1.00 0.00 H new ATOM 0 HG3 GLU B 62 84.049 0.846 6.925 1.00 0.00 H new ATOM 2472 N ASP B 63 89.142 0.720 5.833 1.00 0.00 N ATOM 2473 CA ASP B 63 90.459 0.012 5.849 1.00 0.00 C ATOM 2474 C ASP B 63 91.602 0.982 5.532 1.00 0.00 C ATOM 2475 O ASP B 63 92.760 0.654 5.695 1.00 0.00 O ATOM 2476 CB ASP B 63 90.447 -1.132 4.823 1.00 0.00 C ATOM 2477 CG ASP B 63 89.871 -0.651 3.487 1.00 0.00 C ATOM 2478 OD1 ASP B 63 89.025 0.225 3.503 1.00 0.00 O ATOM 2479 OD2 ASP B 63 90.279 -1.181 2.466 1.00 0.00 O ATOM 0 H ASP B 63 88.671 0.739 4.928 1.00 0.00 H new ATOM 0 HA ASP B 63 90.620 -0.396 6.847 1.00 0.00 H new ATOM 0 HB2 ASP B 63 91.460 -1.506 4.675 1.00 0.00 H new ATOM 0 HB3 ASP B 63 89.853 -1.963 5.203 1.00 0.00 H new ATOM 2484 N GLY B 64 91.300 2.173 5.090 1.00 0.00 N ATOM 2485 CA GLY B 64 92.390 3.144 4.780 1.00 0.00 C ATOM 2486 C GLY B 64 93.157 2.699 3.532 1.00 0.00 C ATOM 2487 O GLY B 64 94.334 2.968 3.390 1.00 0.00 O ATOM 0 H GLY B 64 90.352 2.515 4.931 1.00 0.00 H new ATOM 0 HA2 GLY B 64 91.968 4.137 4.622 1.00 0.00 H new ATOM 0 HA3 GLY B 64 93.072 3.219 5.627 1.00 0.00 H new ATOM 2491 N ASP B 65 92.511 2.012 2.630 1.00 0.00 N ATOM 2492 CA ASP B 65 93.217 1.548 1.402 1.00 0.00 C ATOM 2493 C ASP B 65 93.406 2.722 0.432 1.00 0.00 C ATOM 2494 O ASP B 65 94.012 2.583 -0.612 1.00 0.00 O ATOM 2495 CB ASP B 65 92.405 0.439 0.729 1.00 0.00 C ATOM 2496 CG ASP B 65 91.069 0.998 0.233 1.00 0.00 C ATOM 2497 OD1 ASP B 65 90.666 2.038 0.722 1.00 0.00 O ATOM 2498 OD2 ASP B 65 90.473 0.372 -0.627 1.00 0.00 O ATOM 0 H ASP B 65 91.526 1.752 2.690 1.00 0.00 H new ATOM 0 HA ASP B 65 94.196 1.157 1.678 1.00 0.00 H new ATOM 0 HB2 ASP B 65 92.967 0.021 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP B 65 92.230 -0.374 1.434 1.00 0.00 H new ATOM 2503 N GLY B 66 92.910 3.881 0.777 1.00 0.00 N ATOM 2504 CA GLY B 66 93.084 5.070 -0.112 1.00 0.00 C ATOM 2505 C GLY B 66 92.072 5.045 -1.257 1.00 0.00 C ATOM 2506 O GLY B 66 92.100 5.884 -2.136 1.00 0.00 O ATOM 0 H GLY B 66 92.391 4.057 1.637 1.00 0.00 H new ATOM 0 HA2 GLY B 66 92.961 5.984 0.468 1.00 0.00 H new ATOM 0 HA3 GLY B 66 94.096 5.083 -0.516 1.00 0.00 H new ATOM 2510 N GLU B 67 91.175 4.100 -1.256 1.00 0.00 N ATOM 2511 CA GLU B 67 90.151 4.019 -2.340 1.00 0.00 C ATOM 2512 C GLU B 67 88.815 3.657 -1.698 1.00 0.00 C ATOM 2513 O GLU B 67 88.780 3.123 -0.607 1.00 0.00 O ATOM 2514 CB GLU B 67 90.557 2.930 -3.338 1.00 0.00 C ATOM 2515 CG GLU B 67 91.904 3.292 -3.971 1.00 0.00 C ATOM 2516 CD GLU B 67 92.309 2.204 -4.968 1.00 0.00 C ATOM 2517 OE1 GLU B 67 91.660 1.171 -4.985 1.00 0.00 O ATOM 2518 OE2 GLU B 67 93.267 2.419 -5.693 1.00 0.00 O ATOM 0 H GLU B 67 91.105 3.372 -0.545 1.00 0.00 H new ATOM 0 HA GLU B 67 90.071 4.970 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU B 67 90.628 1.967 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU B 67 89.796 2.829 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU B 67 91.833 4.255 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU B 67 92.666 3.393 -3.198 1.00 0.00 H new ATOM 2525 N CYS B 68 87.710 3.924 -2.351 1.00 0.00 N ATOM 2526 CA CYS B 68 86.385 3.569 -1.749 1.00 0.00 C ATOM 2527 C CYS B 68 85.920 2.238 -2.339 1.00 0.00 C ATOM 2528 O CYS B 68 85.512 2.159 -3.482 1.00 0.00 O ATOM 2529 CB CYS B 68 85.363 4.663 -2.075 1.00 0.00 C ATOM 2530 SG CYS B 68 83.810 4.313 -1.214 1.00 0.00 S ATOM 0 H CYS B 68 87.667 4.369 -3.268 1.00 0.00 H new ATOM 0 HA CYS B 68 86.479 3.482 -0.667 1.00 0.00 H new ATOM 0 HB2 CYS B 68 85.748 5.637 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS B 68 85.193 4.708 -3.151 1.00 0.00 H new ATOM 0 HG CYS B 68 82.943 5.242 -1.488 1.00 0.00 H new ATOM 2536 N ASP B 69 86.014 1.183 -1.577 1.00 0.00 N ATOM 2537 CA ASP B 69 85.619 -0.159 -2.090 1.00 0.00 C ATOM 2538 C ASP B 69 84.113 -0.235 -2.337 1.00 0.00 C ATOM 2539 O ASP B 69 83.354 0.633 -1.957 1.00 0.00 O ATOM 2540 CB ASP B 69 86.008 -1.228 -1.069 1.00 0.00 C ATOM 2541 CG ASP B 69 87.531 -1.351 -1.013 1.00 0.00 C ATOM 2542 OD1 ASP B 69 88.174 -0.926 -1.959 1.00 0.00 O ATOM 2543 OD2 ASP B 69 88.027 -1.862 -0.024 1.00 0.00 O ATOM 0 H ASP B 69 86.350 1.194 -0.614 1.00 0.00 H new ATOM 0 HA ASP B 69 86.136 -0.327 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP B 69 85.617 -0.966 -0.086 1.00 0.00 H new ATOM 0 HB3 ASP B 69 85.565 -2.186 -1.343 1.00 0.00 H new ATOM 2548 N PHE B 70 83.691 -1.294 -2.968 1.00 0.00 N ATOM 2549 CA PHE B 70 82.244 -1.476 -3.247 1.00 0.00 C ATOM 2550 C PHE B 70 81.476 -1.504 -1.919 1.00 0.00 C ATOM 2551 O PHE B 70 80.456 -0.862 -1.764 1.00 0.00 O ATOM 2552 CB PHE B 70 82.018 -2.790 -3.994 1.00 0.00 C ATOM 2553 CG PHE B 70 80.543 -2.948 -4.268 1.00 0.00 C ATOM 2554 CD1 PHE B 70 79.712 -3.543 -3.312 1.00 0.00 C ATOM 2555 CD2 PHE B 70 80.005 -2.484 -5.474 1.00 0.00 C ATOM 2556 CE1 PHE B 70 78.343 -3.677 -3.565 1.00 0.00 C ATOM 2557 CE2 PHE B 70 78.637 -2.619 -5.727 1.00 0.00 C ATOM 2558 CZ PHE B 70 77.804 -3.215 -4.773 1.00 0.00 C ATOM 0 H PHE B 70 84.293 -2.046 -3.304 1.00 0.00 H new ATOM 0 HA PHE B 70 81.888 -0.651 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE B 70 82.578 -2.793 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE B 70 82.383 -3.628 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE B 70 80.127 -3.898 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE B 70 80.647 -2.022 -6.209 1.00 0.00 H new ATOM 0 HE1 PHE B 70 77.701 -4.137 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE B 70 78.223 -2.263 -6.659 1.00 0.00 H new ATOM 0 HZ PHE B 70 76.747 -3.319 -4.968 1.00 0.00 H new ATOM 2568 N GLN B 71 81.954 -2.264 -0.967 1.00 0.00 N ATOM 2569 CA GLN B 71 81.236 -2.349 0.341 1.00 0.00 C ATOM 2570 C GLN B 71 81.151 -0.946 0.950 1.00 0.00 C ATOM 2571 O GLN B 71 80.081 -0.463 1.263 1.00 0.00 O ATOM 2572 CB GLN B 71 81.995 -3.276 1.297 1.00 0.00 C ATOM 2573 CG GLN B 71 82.024 -4.697 0.729 1.00 0.00 C ATOM 2574 CD GLN B 71 83.055 -4.776 -0.399 1.00 0.00 C ATOM 2575 OE1 GLN B 71 84.132 -4.223 -0.292 1.00 0.00 O ATOM 2576 NE2 GLN B 71 82.767 -5.441 -1.483 1.00 0.00 N ATOM 0 H GLN B 71 82.803 -2.825 -1.037 1.00 0.00 H new ATOM 0 HA GLN B 71 80.235 -2.749 0.182 1.00 0.00 H new ATOM 0 HB2 GLN B 71 83.012 -2.911 1.441 1.00 0.00 H new ATOM 0 HB3 GLN B 71 81.515 -3.276 2.276 1.00 0.00 H new ATOM 0 HG2 GLN B 71 82.275 -5.409 1.515 1.00 0.00 H new ATOM 0 HG3 GLN B 71 81.038 -4.970 0.354 1.00 0.00 H new ATOM 0 HE21 GLN B 71 81.863 -5.905 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN B 71 83.446 -5.497 -2.242 1.00 0.00 H new ATOM 2585 N GLU B 72 82.265 -0.286 1.118 1.00 0.00 N ATOM 2586 CA GLU B 72 82.231 1.089 1.704 1.00 0.00 C ATOM 2587 C GLU B 72 81.382 1.975 0.793 1.00 0.00 C ATOM 2588 O GLU B 72 80.556 2.748 1.236 1.00 0.00 O ATOM 2589 CB GLU B 72 83.655 1.649 1.753 1.00 0.00 C ATOM 2590 CG GLU B 72 84.483 0.882 2.784 1.00 0.00 C ATOM 2591 CD GLU B 72 85.932 1.366 2.724 1.00 0.00 C ATOM 2592 OE1 GLU B 72 86.216 2.219 1.899 1.00 0.00 O ATOM 2593 OE2 GLU B 72 86.733 0.876 3.502 1.00 0.00 O ATOM 0 H GLU B 72 83.193 -0.635 0.877 1.00 0.00 H new ATOM 0 HA GLU B 72 81.813 1.062 2.710 1.00 0.00 H new ATOM 0 HB2 GLU B 72 84.120 1.570 0.770 1.00 0.00 H new ATOM 0 HB3 GLU B 72 83.630 2.708 2.010 1.00 0.00 H new ATOM 0 HG2 GLU B 72 84.076 1.037 3.783 1.00 0.00 H new ATOM 0 HG3 GLU B 72 84.436 -0.188 2.583 1.00 0.00 H new ATOM 2600 N PHE B 73 81.600 1.858 -0.485 1.00 0.00 N ATOM 2601 CA PHE B 73 80.828 2.688 -1.453 1.00 0.00 C ATOM 2602 C PHE B 73 79.340 2.597 -1.105 1.00 0.00 C ATOM 2603 O PHE B 73 78.614 3.567 -1.185 1.00 0.00 O ATOM 2604 CB PHE B 73 81.060 2.190 -2.879 1.00 0.00 C ATOM 2605 CG PHE B 73 80.268 3.046 -3.835 1.00 0.00 C ATOM 2606 CD1 PHE B 73 80.838 4.204 -4.373 1.00 0.00 C ATOM 2607 CD2 PHE B 73 78.959 2.685 -4.177 1.00 0.00 C ATOM 2608 CE1 PHE B 73 80.100 5.003 -5.255 1.00 0.00 C ATOM 2609 CE2 PHE B 73 78.221 3.483 -5.059 1.00 0.00 C ATOM 2610 CZ PHE B 73 78.793 4.641 -5.599 1.00 0.00 C ATOM 0 H PHE B 73 82.280 1.223 -0.903 1.00 0.00 H new ATOM 0 HA PHE B 73 81.160 3.724 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE B 73 82.121 2.234 -3.125 1.00 0.00 H new ATOM 0 HB3 PHE B 73 80.756 1.147 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE B 73 81.847 4.482 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE B 73 78.519 1.791 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE B 73 80.539 5.898 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE B 73 77.211 3.206 -5.323 1.00 0.00 H new ATOM 0 HZ PHE B 73 78.225 5.255 -6.282 1.00 0.00 H new ATOM 2620 N MET B 74 78.888 1.444 -0.701 1.00 0.00 N ATOM 2621 CA MET B 74 77.453 1.295 -0.325 1.00 0.00 C ATOM 2622 C MET B 74 77.190 2.076 0.968 1.00 0.00 C ATOM 2623 O MET B 74 76.102 2.559 1.206 1.00 0.00 O ATOM 2624 CB MET B 74 77.128 -0.183 -0.100 1.00 0.00 C ATOM 2625 CG MET B 74 75.617 -0.355 0.062 1.00 0.00 C ATOM 2626 SD MET B 74 74.802 -0.054 -1.526 1.00 0.00 S ATOM 2627 CE MET B 74 73.137 0.213 -0.874 1.00 0.00 C ATOM 0 H MET B 74 79.450 0.597 -0.614 1.00 0.00 H new ATOM 0 HA MET B 74 76.825 1.683 -1.127 1.00 0.00 H new ATOM 0 HB2 MET B 74 77.484 -0.777 -0.942 1.00 0.00 H new ATOM 0 HB3 MET B 74 77.643 -0.548 0.788 1.00 0.00 H new ATOM 0 HG2 MET B 74 75.390 -1.361 0.414 1.00 0.00 H new ATOM 0 HG3 MET B 74 75.240 0.338 0.814 1.00 0.00 H new ATOM 0 HE1 MET B 74 72.453 0.420 -1.697 1.00 0.00 H new ATOM 0 HE2 MET B 74 72.807 -0.680 -0.343 1.00 0.00 H new ATOM 0 HE3 MET B 74 73.146 1.060 -0.188 1.00 0.00 H new ATOM 2637 N ALA B 75 78.192 2.211 1.797 1.00 0.00 N ATOM 2638 CA ALA B 75 78.008 2.973 3.066 1.00 0.00 C ATOM 2639 C ALA B 75 77.733 4.438 2.722 1.00 0.00 C ATOM 2640 O ALA B 75 76.749 5.016 3.139 1.00 0.00 O ATOM 2641 CB ALA B 75 79.275 2.863 3.919 1.00 0.00 C ATOM 0 H ALA B 75 79.126 1.828 1.651 1.00 0.00 H new ATOM 0 HA ALA B 75 77.169 2.565 3.630 1.00 0.00 H new ATOM 0 HB1 ALA B 75 79.139 3.420 4.846 1.00 0.00 H new ATOM 0 HB2 ALA B 75 79.468 1.815 4.150 1.00 0.00 H new ATOM 0 HB3 ALA B 75 80.121 3.275 3.369 1.00 0.00 H new ATOM 2647 N PHE B 76 78.606 5.038 1.964 1.00 0.00 N ATOM 2648 CA PHE B 76 78.405 6.469 1.594 1.00 0.00 C ATOM 2649 C PHE B 76 77.004 6.606 0.998 1.00 0.00 C ATOM 2650 O PHE B 76 76.285 7.542 1.279 1.00 0.00 O ATOM 2651 CB PHE B 76 79.454 6.898 0.564 1.00 0.00 C ATOM 2652 CG PHE B 76 79.240 8.350 0.210 1.00 0.00 C ATOM 2653 CD1 PHE B 76 79.865 9.350 0.964 1.00 0.00 C ATOM 2654 CD2 PHE B 76 78.427 8.697 -0.875 1.00 0.00 C ATOM 2655 CE1 PHE B 76 79.677 10.697 0.635 1.00 0.00 C ATOM 2656 CE2 PHE B 76 78.238 10.045 -1.204 1.00 0.00 C ATOM 2657 CZ PHE B 76 78.863 11.044 -0.449 1.00 0.00 C ATOM 0 H PHE B 76 79.447 4.603 1.585 1.00 0.00 H new ATOM 0 HA PHE B 76 78.509 7.105 2.473 1.00 0.00 H new ATOM 0 HB2 PHE B 76 80.456 6.754 0.967 1.00 0.00 H new ATOM 0 HB3 PHE B 76 79.378 6.279 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE B 76 80.493 9.082 1.801 1.00 0.00 H new ATOM 0 HD2 PHE B 76 77.946 7.926 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE B 76 80.160 11.468 1.217 1.00 0.00 H new ATOM 0 HE2 PHE B 76 77.610 10.314 -2.040 1.00 0.00 H new ATOM 0 HZ PHE B 76 78.717 12.083 -0.703 1.00 0.00 H new ATOM 2667 N VAL B 77 76.603 5.650 0.210 1.00 0.00 N ATOM 2668 CA VAL B 77 75.230 5.703 -0.363 1.00 0.00 C ATOM 2669 C VAL B 77 74.233 5.696 0.802 1.00 0.00 C ATOM 2670 O VAL B 77 73.289 6.461 0.830 1.00 0.00 O ATOM 2671 CB VAL B 77 74.981 4.484 -1.262 1.00 0.00 C ATOM 2672 CG1 VAL B 77 73.497 4.416 -1.643 1.00 0.00 C ATOM 2673 CG2 VAL B 77 75.827 4.605 -2.530 1.00 0.00 C ATOM 0 H VAL B 77 77.161 4.840 -0.061 1.00 0.00 H new ATOM 0 HA VAL B 77 75.111 6.603 -0.966 1.00 0.00 H new ATOM 0 HB VAL B 77 75.257 3.577 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.325 3.549 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL B 77 72.893 4.328 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL B 77 73.217 5.323 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.651 3.740 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL B 77 75.552 5.514 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.882 4.648 -2.261 1.00 0.00 H new ATOM 2683 N SER B 78 74.443 4.838 1.769 1.00 0.00 N ATOM 2684 CA SER B 78 73.516 4.778 2.938 1.00 0.00 C ATOM 2685 C SER B 78 73.612 6.072 3.751 1.00 0.00 C ATOM 2686 O SER B 78 72.616 6.625 4.173 1.00 0.00 O ATOM 2687 CB SER B 78 73.896 3.592 3.824 1.00 0.00 C ATOM 2688 OG SER B 78 75.151 3.850 4.439 1.00 0.00 O ATOM 0 H SER B 78 75.218 4.176 1.798 1.00 0.00 H new ATOM 0 HA SER B 78 72.494 4.658 2.579 1.00 0.00 H new ATOM 0 HB2 SER B 78 73.132 3.431 4.584 1.00 0.00 H new ATOM 0 HB3 SER B 78 73.950 2.681 3.228 1.00 0.00 H new ATOM 0 HG SER B 78 75.756 4.262 3.787 1.00 0.00 H new ATOM 2694 N MET B 79 74.803 6.544 4.000 1.00 0.00 N ATOM 2695 CA MET B 79 74.951 7.785 4.819 1.00 0.00 C ATOM 2696 C MET B 79 74.036 8.866 4.252 1.00 0.00 C ATOM 2697 O MET B 79 73.355 9.563 4.976 1.00 0.00 O ATOM 2698 CB MET B 79 76.396 8.287 4.752 1.00 0.00 C ATOM 2699 CG MET B 79 77.325 7.319 5.485 1.00 0.00 C ATOM 2700 SD MET B 79 79.022 7.945 5.393 1.00 0.00 S ATOM 2701 CE MET B 79 79.809 6.609 6.320 1.00 0.00 C ATOM 0 H MET B 79 75.676 6.129 3.675 1.00 0.00 H new ATOM 0 HA MET B 79 74.688 7.564 5.853 1.00 0.00 H new ATOM 0 HB2 MET B 79 76.707 8.384 3.712 1.00 0.00 H new ATOM 0 HB3 MET B 79 76.465 9.279 5.199 1.00 0.00 H new ATOM 0 HG2 MET B 79 77.017 7.217 6.526 1.00 0.00 H new ATOM 0 HG3 MET B 79 77.265 6.327 5.037 1.00 0.00 H new ATOM 0 HE1 MET B 79 80.881 6.795 6.387 1.00 0.00 H new ATOM 0 HE2 MET B 79 79.385 6.564 7.323 1.00 0.00 H new ATOM 0 HE3 MET B 79 79.636 5.661 5.810 1.00 0.00 H new ATOM 2711 N VAL B 80 73.999 8.992 2.963 1.00 0.00 N ATOM 2712 CA VAL B 80 73.114 10.005 2.335 1.00 0.00 C ATOM 2713 C VAL B 80 71.667 9.682 2.705 1.00 0.00 C ATOM 2714 O VAL B 80 70.832 10.555 2.849 1.00 0.00 O ATOM 2715 CB VAL B 80 73.295 9.964 0.820 1.00 0.00 C ATOM 2716 CG1 VAL B 80 72.271 10.890 0.159 1.00 0.00 C ATOM 2717 CG2 VAL B 80 74.711 10.435 0.480 1.00 0.00 C ATOM 0 H VAL B 80 74.548 8.433 2.310 1.00 0.00 H new ATOM 0 HA VAL B 80 73.366 11.004 2.690 1.00 0.00 H new ATOM 0 HB VAL B 80 73.146 8.948 0.454 1.00 0.00 H new ATOM 0 HG11 VAL B 80 72.400 10.861 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL B 80 71.264 10.560 0.414 1.00 0.00 H new ATOM 0 HG13 VAL B 80 72.419 11.909 0.515 1.00 0.00 H new ATOM 0 HG21 VAL B 80 74.853 10.410 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL B 80 74.852 11.454 0.841 1.00 0.00 H new ATOM 0 HG23 VAL B 80 75.438 9.777 0.957 1.00 0.00 H new ATOM 2727 N THR B 81 71.384 8.425 2.899 1.00 0.00 N ATOM 2728 CA THR B 81 70.014 8.008 3.308 1.00 0.00 C ATOM 2729 C THR B 81 69.886 8.166 4.828 1.00 0.00 C ATOM 2730 O THR B 81 68.941 8.736 5.337 1.00 0.00 O ATOM 2731 CB THR B 81 69.798 6.541 2.924 1.00 0.00 C ATOM 2732 OG1 THR B 81 70.082 6.370 1.542 1.00 0.00 O ATOM 2733 CG2 THR B 81 68.348 6.138 3.202 1.00 0.00 C ATOM 0 H THR B 81 72.050 7.660 2.791 1.00 0.00 H new ATOM 0 HA THR B 81 69.267 8.625 2.808 1.00 0.00 H new ATOM 0 HB THR B 81 70.463 5.912 3.516 1.00 0.00 H new ATOM 0 HG1 THR B 81 69.818 7.176 1.052 1.00 0.00 H new ATOM 0 HG21 THR B 81 68.201 5.094 2.927 1.00 0.00 H new ATOM 0 HG22 THR B 81 68.131 6.268 4.262 1.00 0.00 H new ATOM 0 HG23 THR B 81 67.677 6.765 2.615 1.00 0.00 H new ATOM 2741 N THR B 82 70.844 7.643 5.548 1.00 0.00 N ATOM 2742 CA THR B 82 70.826 7.716 7.040 1.00 0.00 C ATOM 2743 C THR B 82 71.117 9.145 7.520 1.00 0.00 C ATOM 2744 O THR B 82 70.807 9.503 8.639 1.00 0.00 O ATOM 2745 CB THR B 82 71.891 6.765 7.592 1.00 0.00 C ATOM 2746 OG1 THR B 82 71.839 5.539 6.877 1.00 0.00 O ATOM 2747 CG2 THR B 82 71.636 6.496 9.076 1.00 0.00 C ATOM 0 H THR B 82 71.653 7.160 5.158 1.00 0.00 H new ATOM 0 HA THR B 82 69.838 7.429 7.399 1.00 0.00 H new ATOM 0 HB THR B 82 72.874 7.222 7.476 1.00 0.00 H new ATOM 0 HG1 THR B 82 72.521 4.928 7.226 1.00 0.00 H new ATOM 0 HG21 THR B 82 72.399 5.818 9.459 1.00 0.00 H new ATOM 0 HG22 THR B 82 71.674 7.435 9.628 1.00 0.00 H new ATOM 0 HG23 THR B 82 70.653 6.042 9.200 1.00 0.00 H new ATOM 2755 N ALA B 83 71.711 9.964 6.695 1.00 0.00 N ATOM 2756 CA ALA B 83 72.015 11.360 7.132 1.00 0.00 C ATOM 2757 C ALA B 83 70.756 12.214 7.021 1.00 0.00 C ATOM 2758 O ALA B 83 70.176 12.617 8.009 1.00 0.00 O ATOM 2759 CB ALA B 83 73.104 11.961 6.244 1.00 0.00 C ATOM 0 H ALA B 83 71.998 9.731 5.744 1.00 0.00 H new ATOM 0 HA ALA B 83 72.360 11.340 8.166 1.00 0.00 H new ATOM 0 HB1 ALA B 83 73.319 12.979 6.570 1.00 0.00 H new ATOM 0 HB2 ALA B 83 74.009 11.357 6.319 1.00 0.00 H new ATOM 0 HB3 ALA B 83 72.762 11.976 5.209 1.00 0.00 H new ATOM 2765 N CYS B 84 70.331 12.497 5.824 1.00 0.00 N ATOM 2766 CA CYS B 84 69.113 13.330 5.653 1.00 0.00 C ATOM 2767 C CYS B 84 67.930 12.626 6.321 1.00 0.00 C ATOM 2768 O CYS B 84 67.783 11.423 6.237 1.00 0.00 O ATOM 2769 CB CYS B 84 68.831 13.506 4.159 1.00 0.00 C ATOM 2770 SG CYS B 84 70.159 14.480 3.406 1.00 0.00 S ATOM 0 H CYS B 84 70.774 12.188 4.959 1.00 0.00 H new ATOM 0 HA CYS B 84 69.261 14.308 6.111 1.00 0.00 H new ATOM 0 HB2 CYS B 84 68.759 12.532 3.674 1.00 0.00 H new ATOM 0 HB3 CYS B 84 67.873 14.005 4.015 1.00 0.00 H new ATOM 0 HG CYS B 84 69.922 14.628 2.136 1.00 0.00 H new