USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -178:sc= 0.84 (180deg=0.802) USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0166) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.16) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -1.38 (180deg=-1.98!) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= -0.0185 (180deg=-0.12) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= 1.16 (180deg=1.12) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.913 K(o=0.91,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 29 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 92:sc= 1.32 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.63 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.4) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= -0.0227 (180deg=-0.159) USER MOD Single : A 48 GLN : amide:sc= 0.278 K(o=0.28,f=-0.33) USER MOD Single : A 51 GLN :FLIP amide:sc= -2.15! C(o=-2.7!,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 60 ASN : amide:sc= 1.54 K(o=1.5,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= 2.38 (180deg=1.32) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 150:sc= -0.175 USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= -0.626 (180deg=-2.65!) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00342 USER MOD Single : A 80 THR OG1 : rot -24:sc= 0.134 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00983) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.535 3.853 -1.915 1.00 0.00 N ATOM 2 CA GLU A 1 -13.779 4.298 -0.545 1.00 0.00 C ATOM 3 C GLU A 1 -14.903 5.332 -0.512 1.00 0.00 C ATOM 4 O GLU A 1 -15.381 5.715 0.566 1.00 0.00 O ATOM 5 CB GLU A 1 -12.504 4.909 0.101 1.00 0.00 C ATOM 6 CG GLU A 1 -12.088 6.300 -0.419 1.00 0.00 C ATOM 7 CD GLU A 1 -11.641 6.322 -1.855 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.468 6.127 -2.743 1.00 0.00 O ATOM 9 OE2 GLU A 1 -10.439 6.551 -2.114 1.00 0.00 O ATOM 0 H1 GLU A 1 -12.792 3.126 -1.917 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.410 3.455 -2.312 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.229 4.661 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.068 3.418 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -12.662 4.977 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -11.674 4.220 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -12.929 6.983 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -11.280 6.680 0.206 1.00 0.00 H new ATOM 18 N LYS A 2 -15.313 5.814 -1.680 1.00 0.00 N ATOM 19 CA LYS A 2 -16.336 6.816 -1.746 1.00 0.00 C ATOM 20 C LYS A 2 -17.698 6.183 -1.686 1.00 0.00 C ATOM 21 O LYS A 2 -18.252 5.755 -2.697 1.00 0.00 O ATOM 22 CB LYS A 2 -16.188 7.725 -2.984 1.00 0.00 C ATOM 23 CG LYS A 2 -14.916 8.574 -2.997 1.00 0.00 C ATOM 24 CD LYS A 2 -14.849 9.472 -1.770 1.00 0.00 C ATOM 25 CE LYS A 2 -13.599 10.346 -1.749 1.00 0.00 C ATOM 26 NZ LYS A 2 -13.575 11.349 -2.840 1.00 0.00 N ATOM 0 H LYS A 2 -14.945 5.519 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.219 7.461 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.205 7.104 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.052 8.387 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.041 7.925 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.890 9.183 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.733 10.109 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.872 8.855 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.538 10.860 -0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.717 9.711 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.747 11.967 -2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.519 10.863 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.442 11.922 -2.804 1.00 0.00 H new ATOM 40 N LYS A 3 -18.172 6.032 -0.481 1.00 0.00 N ATOM 41 CA LYS A 3 -19.485 5.510 -0.181 1.00 0.00 C ATOM 42 C LYS A 3 -20.122 6.384 0.869 1.00 0.00 C ATOM 43 O LYS A 3 -20.941 5.928 1.677 1.00 0.00 O ATOM 44 CB LYS A 3 -19.392 4.050 0.288 1.00 0.00 C ATOM 45 CG LYS A 3 -19.153 3.019 -0.829 1.00 0.00 C ATOM 46 CD LYS A 3 -20.446 2.656 -1.600 1.00 0.00 C ATOM 47 CE LYS A 3 -21.050 3.803 -2.418 1.00 0.00 C ATOM 48 NZ LYS A 3 -20.221 4.182 -3.581 1.00 0.00 N ATOM 0 H LYS A 3 -17.638 6.277 0.353 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.103 5.520 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.584 3.969 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.315 3.792 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.417 3.414 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.728 2.114 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.231 1.824 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -21.192 2.305 -0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -22.041 3.512 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.181 4.672 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.711 4.914 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.307 4.552 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.060 3.347 -4.180 1.00 0.00 H new ATOM 62 N GLU A 4 -19.745 7.661 0.810 1.00 0.00 N ATOM 63 CA GLU A 4 -20.216 8.724 1.688 1.00 0.00 C ATOM 64 C GLU A 4 -19.659 8.633 3.097 1.00 0.00 C ATOM 65 O GLU A 4 -19.456 7.537 3.644 1.00 0.00 O ATOM 66 CB GLU A 4 -21.731 8.841 1.674 1.00 0.00 C ATOM 67 CG GLU A 4 -22.283 9.206 0.313 1.00 0.00 C ATOM 68 CD GLU A 4 -23.768 9.260 0.303 1.00 0.00 C ATOM 69 OE1 GLU A 4 -24.339 10.185 0.914 1.00 0.00 O ATOM 70 OE2 GLU A 4 -24.408 8.393 -0.340 1.00 0.00 O ATOM 0 H GLU A 4 -19.074 7.994 0.118 1.00 0.00 H new ATOM 0 HA GLU A 4 -19.817 9.651 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.166 7.894 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -22.038 9.595 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -21.884 10.174 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -21.943 8.476 -0.422 1.00 0.00 H new ATOM 77 N GLN A 5 -19.341 9.800 3.639 1.00 0.00 N ATOM 78 CA GLN A 5 -18.810 10.006 4.986 1.00 0.00 C ATOM 79 C GLN A 5 -17.330 9.680 5.091 1.00 0.00 C ATOM 80 O GLN A 5 -16.550 10.520 5.569 1.00 0.00 O ATOM 81 CB GLN A 5 -19.633 9.300 6.074 1.00 0.00 C ATOM 82 CG GLN A 5 -21.017 9.893 6.260 1.00 0.00 C ATOM 83 CD GLN A 5 -21.866 9.158 7.275 1.00 0.00 C ATOM 84 OE1 GLN A 5 -21.256 8.506 8.230 1.00 0.00 O flip ATOM 85 NE2 GLN A 5 -23.083 9.145 7.171 1.00 0.00 N flip ATOM 0 H GLN A 5 -19.451 10.676 3.128 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.909 11.075 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.729 8.244 5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.093 9.352 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.918 10.934 6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -21.534 9.893 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -23.536 9.662 6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -23.646 8.617 7.838 1.00 0.00 H new ATOM 94 N LYS A 6 -16.944 8.507 4.587 1.00 0.00 N ATOM 95 CA LYS A 6 -15.579 7.979 4.676 1.00 0.00 C ATOM 96 C LYS A 6 -15.251 7.630 6.101 1.00 0.00 C ATOM 97 O LYS A 6 -15.014 8.510 6.943 1.00 0.00 O ATOM 98 CB LYS A 6 -14.525 8.920 4.069 1.00 0.00 C ATOM 99 CG LYS A 6 -14.567 9.004 2.553 1.00 0.00 C ATOM 100 CD LYS A 6 -13.617 10.070 2.014 1.00 0.00 C ATOM 101 CE LYS A 6 -14.222 11.490 2.029 1.00 0.00 C ATOM 102 NZ LYS A 6 -14.652 11.969 3.368 1.00 0.00 N ATOM 0 H LYS A 6 -17.584 7.883 4.095 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.545 7.072 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.665 9.919 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.534 8.585 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.303 8.035 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.584 9.228 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.703 10.066 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.335 9.813 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.487 12.187 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.081 11.511 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.722 13.007 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.580 11.561 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.955 11.675 4.082 1.00 0.00 H new ATOM 116 N GLU A 7 -15.275 6.356 6.379 1.00 0.00 N ATOM 117 CA GLU A 7 -15.061 5.857 7.710 1.00 0.00 C ATOM 118 C GLU A 7 -13.649 6.150 8.177 1.00 0.00 C ATOM 119 O GLU A 7 -12.662 5.716 7.559 1.00 0.00 O ATOM 120 CB GLU A 7 -15.423 4.373 7.801 1.00 0.00 C ATOM 121 CG GLU A 7 -14.660 3.471 6.852 1.00 0.00 C ATOM 122 CD GLU A 7 -15.204 2.081 6.853 1.00 0.00 C ATOM 123 OE1 GLU A 7 -14.991 1.337 7.827 1.00 0.00 O ATOM 124 OE2 GLU A 7 -15.899 1.711 5.882 1.00 0.00 O ATOM 0 H GLU A 7 -15.445 5.629 5.684 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.729 6.382 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.248 4.033 8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.490 4.262 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.709 3.880 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.608 3.450 7.137 1.00 0.00 H new ATOM 131 N LYS A 8 -13.576 6.928 9.246 1.00 0.00 N ATOM 132 CA LYS A 8 -12.346 7.412 9.866 1.00 0.00 C ATOM 133 C LYS A 8 -11.663 8.425 8.931 1.00 0.00 C ATOM 134 O LYS A 8 -11.724 9.640 9.159 1.00 0.00 O ATOM 135 CB LYS A 8 -11.388 6.252 10.251 1.00 0.00 C ATOM 136 CG LYS A 8 -12.036 5.120 11.064 1.00 0.00 C ATOM 137 CD LYS A 8 -12.717 5.620 12.329 1.00 0.00 C ATOM 138 CE LYS A 8 -13.299 4.467 13.143 1.00 0.00 C ATOM 139 NZ LYS A 8 -14.321 3.683 12.401 1.00 0.00 N ATOM 0 H LYS A 8 -14.412 7.256 9.730 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.606 7.912 10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.968 5.829 9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.557 6.662 10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.768 4.605 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.274 4.388 11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.999 6.170 12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.512 6.318 12.065 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.491 3.802 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.746 4.864 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.786 3.016 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.031 4.329 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.862 3.154 11.632 1.00 0.00 H new ATOM 153 N GLU A 9 -11.096 7.915 7.862 1.00 0.00 N ATOM 154 CA GLU A 9 -10.423 8.662 6.820 1.00 0.00 C ATOM 155 C GLU A 9 -9.853 7.643 5.844 1.00 0.00 C ATOM 156 O GLU A 9 -10.415 7.404 4.773 1.00 0.00 O ATOM 157 CB GLU A 9 -9.284 9.555 7.375 1.00 0.00 C ATOM 158 CG GLU A 9 -8.631 10.458 6.336 1.00 0.00 C ATOM 159 CD GLU A 9 -7.491 11.267 6.903 1.00 0.00 C ATOM 160 OE1 GLU A 9 -7.742 12.333 7.517 1.00 0.00 O ATOM 161 OE2 GLU A 9 -6.319 10.852 6.760 1.00 0.00 O ATOM 0 H GLU A 9 -11.091 6.911 7.685 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.134 9.334 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.683 10.175 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.519 8.916 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.263 9.849 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.381 11.133 5.924 1.00 0.00 H new ATOM 168 N LYS A 10 -8.800 6.980 6.276 1.00 0.00 N ATOM 169 CA LYS A 10 -8.091 5.997 5.476 1.00 0.00 C ATOM 170 C LYS A 10 -7.441 4.983 6.389 1.00 0.00 C ATOM 171 O LYS A 10 -6.328 4.519 6.143 1.00 0.00 O ATOM 172 CB LYS A 10 -7.063 6.707 4.541 1.00 0.00 C ATOM 173 CG LYS A 10 -6.221 7.832 5.182 1.00 0.00 C ATOM 174 CD LYS A 10 -5.102 7.350 6.106 1.00 0.00 C ATOM 175 CE LYS A 10 -3.972 6.699 5.329 1.00 0.00 C ATOM 176 NZ LYS A 10 -2.840 6.310 6.191 1.00 0.00 N ATOM 0 H LYS A 10 -8.405 7.110 7.207 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.788 5.462 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.383 5.953 4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.604 7.125 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.782 8.435 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.885 8.485 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.713 8.193 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.506 6.638 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.352 5.816 4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.619 7.388 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.978 6.226 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.697 7.034 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.046 5.396 6.642 1.00 0.00 H new ATOM 190 N LYS A 11 -8.190 4.578 7.391 1.00 0.00 N ATOM 191 CA LYS A 11 -7.694 3.701 8.418 1.00 0.00 C ATOM 192 C LYS A 11 -7.364 2.330 7.842 1.00 0.00 C ATOM 193 O LYS A 11 -8.223 1.627 7.298 1.00 0.00 O ATOM 194 CB LYS A 11 -8.687 3.614 9.575 1.00 0.00 C ATOM 195 CG LYS A 11 -8.204 2.800 10.758 1.00 0.00 C ATOM 196 CD LYS A 11 -9.204 2.851 11.894 1.00 0.00 C ATOM 197 CE LYS A 11 -8.709 2.091 13.106 1.00 0.00 C ATOM 198 NZ LYS A 11 -9.687 2.133 14.207 1.00 0.00 N ATOM 0 H LYS A 11 -9.165 4.852 7.513 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.767 4.115 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.919 4.623 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.617 3.180 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.047 1.765 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.241 3.182 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.393 3.889 12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.154 2.431 11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.513 1.054 12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.763 2.516 13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.316 1.603 15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.855 3.121 14.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.581 1.705 13.893 1.00 0.00 H new ATOM 212 N GLU A 12 -6.119 1.998 7.945 1.00 0.00 N ATOM 213 CA GLU A 12 -5.533 0.795 7.424 1.00 0.00 C ATOM 214 C GLU A 12 -5.412 -0.273 8.526 1.00 0.00 C ATOM 215 O GLU A 12 -4.469 -1.046 8.562 1.00 0.00 O ATOM 216 CB GLU A 12 -4.140 1.120 6.793 1.00 0.00 C ATOM 217 CG GLU A 12 -3.077 1.753 7.731 1.00 0.00 C ATOM 218 CD GLU A 12 -3.386 3.173 8.175 1.00 0.00 C ATOM 219 OE1 GLU A 12 -4.175 3.352 9.132 1.00 0.00 O ATOM 220 OE2 GLU A 12 -2.851 4.123 7.595 1.00 0.00 O ATOM 0 H GLU A 12 -5.439 2.590 8.422 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.180 0.390 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.727 0.197 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.297 1.796 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.973 1.125 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.114 1.748 7.221 1.00 0.00 H new ATOM 227 N GLN A 13 -6.420 -0.351 9.372 1.00 0.00 N ATOM 228 CA GLN A 13 -6.452 -1.315 10.475 1.00 0.00 C ATOM 229 C GLN A 13 -6.349 -2.759 9.969 1.00 0.00 C ATOM 230 O GLN A 13 -5.674 -3.600 10.568 1.00 0.00 O ATOM 231 CB GLN A 13 -7.705 -1.122 11.320 1.00 0.00 C ATOM 232 CG GLN A 13 -8.993 -1.227 10.528 1.00 0.00 C ATOM 233 CD GLN A 13 -10.231 -1.182 11.382 1.00 0.00 C ATOM 234 OE1 GLN A 13 -10.273 -0.551 12.428 1.00 0.00 O ATOM 235 NE2 GLN A 13 -11.219 -1.899 10.980 1.00 0.00 N ATOM 0 H GLN A 13 -7.244 0.248 9.322 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.581 -1.128 11.103 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.715 -1.868 12.115 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.662 -0.144 11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.032 -0.413 9.804 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.986 -2.158 9.961 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.152 -2.414 10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.070 -1.953 11.539 1.00 0.00 H new ATOM 244 N GLU A 14 -6.945 -2.991 8.828 1.00 0.00 N ATOM 245 CA GLU A 14 -6.965 -4.310 8.186 1.00 0.00 C ATOM 246 C GLU A 14 -5.573 -4.772 7.742 1.00 0.00 C ATOM 247 O GLU A 14 -5.313 -5.984 7.678 1.00 0.00 O ATOM 248 CB GLU A 14 -7.910 -4.359 6.960 1.00 0.00 C ATOM 249 CG GLU A 14 -9.405 -4.602 7.230 1.00 0.00 C ATOM 250 CD GLU A 14 -10.103 -3.530 8.011 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.353 -2.439 7.462 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.456 -3.767 9.168 1.00 0.00 O ATOM 0 H GLU A 14 -7.440 -2.271 8.301 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.338 -4.986 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.813 -3.416 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.556 -5.145 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.914 -4.720 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.511 -5.545 7.766 1.00 0.00 H new ATOM 259 N ILE A 15 -4.640 -3.829 7.518 1.00 0.00 N ATOM 260 CA ILE A 15 -3.356 -4.209 6.910 1.00 0.00 C ATOM 261 C ILE A 15 -2.448 -4.772 7.979 1.00 0.00 C ATOM 262 O ILE A 15 -1.556 -5.599 7.731 1.00 0.00 O ATOM 263 CB ILE A 15 -2.620 -3.009 6.212 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.025 -2.063 7.250 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.599 -2.254 5.316 1.00 0.00 C ATOM 266 CD1 ILE A 15 -0.953 -1.176 6.740 1.00 0.00 C ATOM 0 H ILE A 15 -4.744 -2.839 7.739 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.579 -4.948 6.140 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.807 -3.406 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.825 -1.445 7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.626 -2.655 8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.084 -1.423 4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.990 -2.929 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.422 -1.871 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.592 -0.540 7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.131 -1.781 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.347 -0.553 5.937 1.00 0.00 H new ATOM 278 N LYS A 16 -2.756 -4.374 9.178 1.00 0.00 N ATOM 279 CA LYS A 16 -1.978 -4.652 10.349 1.00 0.00 C ATOM 280 C LYS A 16 -2.284 -6.012 10.877 1.00 0.00 C ATOM 281 O LYS A 16 -1.595 -6.542 11.745 1.00 0.00 O ATOM 282 CB LYS A 16 -2.271 -3.568 11.345 1.00 0.00 C ATOM 283 CG LYS A 16 -1.825 -2.222 10.822 1.00 0.00 C ATOM 284 CD LYS A 16 -2.487 -1.091 11.534 1.00 0.00 C ATOM 285 CE LYS A 16 -1.780 0.204 11.219 1.00 0.00 C ATOM 286 NZ LYS A 16 -2.296 1.335 11.999 1.00 0.00 N ATOM 0 H LYS A 16 -3.592 -3.823 9.375 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.912 -4.656 10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.340 -3.544 11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.763 -3.784 12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.744 -2.133 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.046 -2.157 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.533 -1.025 11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.473 -1.270 12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.714 0.088 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.886 0.422 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.776 2.199 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.307 1.466 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.171 1.143 13.013 1.00 0.00 H new ATOM 300 N LYS A 17 -3.288 -6.581 10.313 1.00 0.00 N ATOM 301 CA LYS A 17 -3.703 -7.917 10.648 1.00 0.00 C ATOM 302 C LYS A 17 -3.378 -8.840 9.490 1.00 0.00 C ATOM 303 O LYS A 17 -3.616 -10.045 9.551 1.00 0.00 O ATOM 304 CB LYS A 17 -5.201 -7.948 10.945 1.00 0.00 C ATOM 305 CG LYS A 17 -5.613 -7.121 12.149 1.00 0.00 C ATOM 306 CD LYS A 17 -7.117 -7.131 12.333 1.00 0.00 C ATOM 307 CE LYS A 17 -7.531 -6.327 13.550 1.00 0.00 C ATOM 308 NZ LYS A 17 -9.002 -6.212 13.660 1.00 0.00 N ATOM 0 H LYS A 17 -3.859 -6.135 9.595 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.172 -8.250 11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.741 -7.589 10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.507 -8.982 11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.132 -7.514 13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.266 -6.095 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.597 -6.721 11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.465 -8.158 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.135 -6.799 14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.092 -5.331 13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.245 -5.655 14.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.377 -5.738 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.419 -7.161 13.739 1.00 0.00 H new ATOM 322 N LYS A 18 -2.802 -8.273 8.443 1.00 0.00 N ATOM 323 CA LYS A 18 -2.519 -9.037 7.256 1.00 0.00 C ATOM 324 C LYS A 18 -1.012 -9.151 7.044 1.00 0.00 C ATOM 325 O LYS A 18 -0.473 -10.251 6.983 1.00 0.00 O ATOM 326 CB LYS A 18 -3.127 -8.366 6.042 1.00 0.00 C ATOM 327 CG LYS A 18 -3.551 -9.335 4.952 1.00 0.00 C ATOM 328 CD LYS A 18 -4.987 -9.802 5.166 1.00 0.00 C ATOM 329 CE LYS A 18 -5.947 -8.619 5.013 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.358 -8.993 5.186 1.00 0.00 N ATOM 0 H LYS A 18 -2.526 -7.292 8.398 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.949 -10.030 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.994 -7.785 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.405 -7.662 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.462 -8.854 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.882 -10.195 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.237 -10.580 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.092 -10.241 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.689 -7.853 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.813 -8.176 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.957 -8.151 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.619 -9.703 4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.498 -9.390 6.137 1.00 0.00 H new ATOM 344 N PHE A 19 -0.327 -8.006 6.923 1.00 0.00 N ATOM 345 CA PHE A 19 1.108 -8.027 6.703 1.00 0.00 C ATOM 346 C PHE A 19 1.780 -8.116 8.055 1.00 0.00 C ATOM 347 O PHE A 19 2.793 -8.787 8.206 1.00 0.00 O ATOM 348 CB PHE A 19 1.580 -6.756 5.942 1.00 0.00 C ATOM 349 CG PHE A 19 2.946 -6.873 5.304 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.102 -6.665 6.036 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.064 -7.163 3.959 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.341 -6.743 5.442 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.305 -7.247 3.363 1.00 0.00 C ATOM 354 CZ PHE A 19 5.447 -7.034 4.105 1.00 0.00 C ATOM 0 H PHE A 19 -0.742 -7.075 6.974 1.00 0.00 H new ATOM 0 HA PHE A 19 1.375 -8.885 6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.851 -6.521 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.589 -5.916 6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.031 -6.438 7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.175 -7.326 3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.232 -6.575 6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.382 -7.480 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.419 -7.096 3.637 1.00 0.00 H new ATOM 364 N LYS A 20 1.131 -7.478 9.054 1.00 0.00 N ATOM 365 CA LYS A 20 1.619 -7.389 10.436 1.00 0.00 C ATOM 366 C LYS A 20 2.864 -6.556 10.475 1.00 0.00 C ATOM 367 O LYS A 20 3.973 -7.023 10.223 1.00 0.00 O ATOM 368 CB LYS A 20 1.811 -8.771 11.083 1.00 0.00 C ATOM 369 CG LYS A 20 0.536 -9.593 11.122 1.00 0.00 C ATOM 370 CD LYS A 20 0.776 -10.972 11.694 1.00 0.00 C ATOM 371 CE LYS A 20 -0.505 -11.784 11.703 1.00 0.00 C ATOM 372 NZ LYS A 20 -0.284 -13.153 12.201 1.00 0.00 N ATOM 0 H LYS A 20 0.239 -7.004 8.914 1.00 0.00 H new ATOM 0 HA LYS A 20 0.857 -6.896 11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.574 -9.321 10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.184 -8.641 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.212 -9.075 11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.130 -9.683 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.534 -11.488 11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.165 -10.887 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.246 -11.286 12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.915 -11.826 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.183 -13.675 12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.404 -13.638 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.083 -13.114 13.173 1.00 0.00 H new ATOM 386 N LEU A 21 2.657 -5.311 10.742 1.00 0.00 N ATOM 387 CA LEU A 21 3.691 -4.328 10.690 1.00 0.00 C ATOM 388 C LEU A 21 4.153 -4.085 12.053 1.00 0.00 C ATOM 389 O LEU A 21 5.290 -4.393 12.427 1.00 0.00 O ATOM 390 CB LEU A 21 3.157 -3.009 10.134 1.00 0.00 C ATOM 391 CG LEU A 21 2.563 -3.024 8.708 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.414 -3.845 7.791 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.120 -3.516 8.674 1.00 0.00 C ATOM 0 H LEU A 21 1.746 -4.938 11.008 1.00 0.00 H new ATOM 0 HA LEU A 21 4.494 -4.690 10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.388 -2.644 10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.970 -2.283 10.152 1.00 0.00 H new ATOM 0 HG LEU A 21 2.555 -1.990 8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.979 -3.843 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.418 -3.422 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.466 -4.869 8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.756 -3.505 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.073 -4.532 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.498 -2.863 9.286 1.00 0.00 H new ATOM 405 N THR A 22 3.217 -3.556 12.792 1.00 0.00 N ATOM 406 CA THR A 22 3.343 -3.230 14.142 1.00 0.00 C ATOM 407 C THR A 22 4.491 -2.236 14.366 1.00 0.00 C ATOM 408 O THR A 22 5.639 -2.604 14.653 1.00 0.00 O ATOM 409 CB THR A 22 3.467 -4.493 14.963 1.00 0.00 C ATOM 410 OG1 THR A 22 2.588 -5.500 14.387 1.00 0.00 O ATOM 411 CG2 THR A 22 2.957 -4.207 16.297 1.00 0.00 C ATOM 0 H THR A 22 2.293 -3.336 12.420 1.00 0.00 H new ATOM 0 HA THR A 22 2.443 -2.717 14.481 1.00 0.00 H new ATOM 0 HB THR A 22 4.502 -4.833 14.986 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.656 -6.329 14.906 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.033 -5.102 16.915 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.542 -3.405 16.746 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.913 -3.900 16.229 1.00 0.00 H new ATOM 419 N GLY A 23 4.167 -0.990 14.143 1.00 0.00 N ATOM 420 CA GLY A 23 5.111 0.079 14.209 1.00 0.00 C ATOM 421 C GLY A 23 5.101 0.803 12.884 1.00 0.00 C ATOM 422 O GLY A 23 5.397 0.178 11.861 1.00 0.00 O ATOM 0 H GLY A 23 3.221 -0.691 13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.854 0.763 15.018 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.108 -0.307 14.423 1.00 0.00 H new ATOM 426 N PRO A 24 4.697 2.097 12.851 1.00 0.00 N ATOM 427 CA PRO A 24 4.610 2.894 11.617 1.00 0.00 C ATOM 428 C PRO A 24 5.886 2.832 10.802 1.00 0.00 C ATOM 429 O PRO A 24 7.000 2.874 11.351 1.00 0.00 O ATOM 430 CB PRO A 24 4.372 4.315 12.120 1.00 0.00 C ATOM 431 CG PRO A 24 3.704 4.131 13.431 1.00 0.00 C ATOM 432 CD PRO A 24 4.286 2.880 14.022 1.00 0.00 C ATOM 0 HA PRO A 24 3.826 2.527 10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.309 4.863 12.224 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.746 4.882 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.880 4.988 14.082 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.625 4.039 13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.132 3.101 14.672 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.553 2.344 14.624 1.00 0.00 H new ATOM 440 N ILE A 25 5.737 2.701 9.526 1.00 0.00 N ATOM 441 CA ILE A 25 6.878 2.589 8.662 1.00 0.00 C ATOM 442 C ILE A 25 6.805 3.603 7.519 1.00 0.00 C ATOM 443 O ILE A 25 5.705 4.026 7.095 1.00 0.00 O ATOM 444 CB ILE A 25 7.063 1.129 8.142 1.00 0.00 C ATOM 445 CG1 ILE A 25 8.428 0.959 7.464 1.00 0.00 C ATOM 446 CG2 ILE A 25 5.927 0.725 7.198 1.00 0.00 C ATOM 447 CD1 ILE A 25 8.810 -0.472 7.202 1.00 0.00 C ATOM 0 H ILE A 25 4.835 2.668 9.051 1.00 0.00 H new ATOM 0 HA ILE A 25 7.765 2.827 9.248 1.00 0.00 H new ATOM 0 HB ILE A 25 7.028 0.463 9.004 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.422 1.501 6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.192 1.419 8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.086 -0.297 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.976 0.786 7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.910 1.398 6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.788 -0.505 6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.851 -1.016 8.146 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.069 -0.933 6.549 1.00 0.00 H new ATOM 459 N GLN A 26 7.958 4.010 7.060 1.00 0.00 N ATOM 460 CA GLN A 26 8.085 4.995 6.019 1.00 0.00 C ATOM 461 C GLN A 26 8.334 4.302 4.705 1.00 0.00 C ATOM 462 O GLN A 26 8.507 3.086 4.662 1.00 0.00 O ATOM 463 CB GLN A 26 9.270 5.915 6.306 1.00 0.00 C ATOM 464 CG GLN A 26 10.621 5.205 6.237 1.00 0.00 C ATOM 465 CD GLN A 26 11.781 6.113 6.551 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.644 7.085 7.305 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.937 5.791 6.035 1.00 0.00 N ATOM 0 H GLN A 26 8.852 3.660 7.405 1.00 0.00 H new ATOM 0 HA GLN A 26 7.166 5.579 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.263 6.737 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.149 6.353 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.622 4.369 6.936 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.754 4.786 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.012 4.983 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.764 6.348 6.250 1.00 0.00 H new ATOM 476 N VAL A 27 8.384 5.069 3.661 1.00 0.00 N ATOM 477 CA VAL A 27 8.692 4.557 2.368 1.00 0.00 C ATOM 478 C VAL A 27 10.166 4.254 2.274 1.00 0.00 C ATOM 479 O VAL A 27 11.031 5.067 2.648 1.00 0.00 O ATOM 480 CB VAL A 27 8.296 5.553 1.274 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.832 5.153 -0.073 1.00 0.00 C ATOM 482 CG2 VAL A 27 6.813 5.663 1.213 1.00 0.00 C ATOM 0 H VAL A 27 8.211 6.074 3.685 1.00 0.00 H new ATOM 0 HA VAL A 27 8.122 3.640 2.219 1.00 0.00 H new ATOM 0 HB VAL A 27 8.733 6.518 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.527 5.887 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.920 5.107 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.438 4.174 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.532 6.372 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.385 4.687 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.434 6.011 2.174 1.00 0.00 H new ATOM 492 N ILE A 28 10.433 3.110 1.793 1.00 0.00 N ATOM 493 CA ILE A 28 11.767 2.651 1.608 1.00 0.00 C ATOM 494 C ILE A 28 12.209 2.975 0.187 1.00 0.00 C ATOM 495 O ILE A 28 13.355 3.331 -0.036 1.00 0.00 O ATOM 496 CB ILE A 28 11.876 1.118 1.869 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.386 0.768 3.289 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.301 0.609 1.659 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.150 1.445 4.416 1.00 0.00 C ATOM 0 H ILE A 28 9.720 2.440 1.506 1.00 0.00 H new ATOM 0 HA ILE A 28 12.417 3.155 2.323 1.00 0.00 H new ATOM 0 HB ILE A 28 11.234 0.619 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.333 1.037 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.450 -0.312 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.336 -0.463 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.610 0.805 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.975 1.122 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.733 1.137 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.200 1.157 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.066 2.527 4.314 1.00 0.00 H new ATOM 511 N HIS A 29 11.259 2.936 -0.763 1.00 0.00 N ATOM 512 CA HIS A 29 11.555 3.135 -2.205 1.00 0.00 C ATOM 513 C HIS A 29 10.279 3.353 -2.941 1.00 0.00 C ATOM 514 O HIS A 29 9.207 3.061 -2.426 1.00 0.00 O ATOM 515 CB HIS A 29 12.269 1.920 -2.874 1.00 0.00 C ATOM 516 CG HIS A 29 13.708 1.718 -2.502 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.178 0.581 -1.891 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.779 2.532 -2.638 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.463 0.711 -1.665 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.855 1.884 -2.102 1.00 0.00 N ATOM 0 H HIS A 29 10.273 2.768 -0.563 1.00 0.00 H new ATOM 0 HA HIS A 29 12.225 3.993 -2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.718 1.015 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.207 2.038 -3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.783 3.514 -3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.096 -0.028 -1.195 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.805 2.251 -2.050 1.00 0.00 H new ATOM 529 N LEU A 30 10.382 3.820 -4.136 1.00 0.00 N ATOM 530 CA LEU A 30 9.221 4.046 -4.941 1.00 0.00 C ATOM 531 C LEU A 30 9.175 2.985 -6.031 1.00 0.00 C ATOM 532 O LEU A 30 10.068 2.890 -6.855 1.00 0.00 O ATOM 533 CB LEU A 30 9.204 5.482 -5.542 1.00 0.00 C ATOM 534 CG LEU A 30 9.077 6.693 -4.554 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.274 6.838 -3.621 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.876 7.983 -5.319 1.00 0.00 C ATOM 0 H LEU A 30 11.266 4.057 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 30 8.331 3.968 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.121 5.614 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.375 5.539 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 30 8.206 6.485 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.122 7.694 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.379 5.934 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.178 6.989 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.790 8.813 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.728 8.152 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.965 7.915 -5.914 1.00 0.00 H new ATOM 548 N ALA A 31 8.177 2.175 -5.992 1.00 0.00 N ATOM 549 CA ALA A 31 8.002 1.096 -6.948 1.00 0.00 C ATOM 550 C ALA A 31 7.143 1.503 -8.116 1.00 0.00 C ATOM 551 O ALA A 31 6.395 2.450 -8.060 1.00 0.00 O ATOM 552 CB ALA A 31 7.422 -0.154 -6.298 1.00 0.00 C ATOM 0 H ALA A 31 7.438 2.229 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 31 9.000 0.864 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.308 -0.935 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.094 -0.501 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.449 0.079 -5.866 1.00 0.00 H new ATOM 558 N LYS A 32 7.284 0.782 -9.157 1.00 0.00 N ATOM 559 CA LYS A 32 6.548 0.968 -10.359 1.00 0.00 C ATOM 560 C LYS A 32 5.541 -0.154 -10.480 1.00 0.00 C ATOM 561 O LYS A 32 5.900 -1.322 -10.295 1.00 0.00 O ATOM 562 CB LYS A 32 7.538 0.936 -11.524 1.00 0.00 C ATOM 563 CG LYS A 32 6.949 1.115 -12.905 1.00 0.00 C ATOM 564 CD LYS A 32 8.057 1.078 -13.936 1.00 0.00 C ATOM 565 CE LYS A 32 7.550 1.339 -15.330 1.00 0.00 C ATOM 566 NZ LYS A 32 8.625 1.173 -16.334 1.00 0.00 N ATOM 0 H LYS A 32 7.945 0.007 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 32 6.016 1.920 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.281 1.718 -11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.067 -0.017 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.223 0.327 -13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.415 2.063 -12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.812 1.822 -13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.546 0.104 -13.906 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.731 0.656 -15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.147 2.350 -15.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.245 1.359 -17.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.395 1.842 -16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.992 0.201 -16.293 1.00 0.00 H new ATOM 580 N ALA A 33 4.281 0.192 -10.693 1.00 0.00 N ATOM 581 CA ALA A 33 3.267 -0.793 -10.961 1.00 0.00 C ATOM 582 C ALA A 33 3.580 -1.485 -12.273 1.00 0.00 C ATOM 583 O ALA A 33 3.431 -0.893 -13.359 1.00 0.00 O ATOM 584 CB ALA A 33 1.918 -0.134 -11.041 1.00 0.00 C ATOM 0 H ALA A 33 3.944 1.155 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 33 3.252 -1.527 -10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.157 -0.887 -11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.697 0.359 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.921 0.605 -11.843 1.00 0.00 H new ATOM 590 N CYS A 34 4.019 -2.710 -12.168 1.00 0.00 N ATOM 591 CA CYS A 34 4.433 -3.495 -13.313 1.00 0.00 C ATOM 592 C CYS A 34 3.215 -3.982 -14.094 1.00 0.00 C ATOM 593 O CYS A 34 3.315 -4.326 -15.281 1.00 0.00 O ATOM 594 CB CYS A 34 5.304 -4.677 -12.846 1.00 0.00 C ATOM 595 SG CYS A 34 6.131 -5.601 -14.163 1.00 0.00 S ATOM 0 H CYS A 34 4.102 -3.202 -11.278 1.00 0.00 H new ATOM 0 HA CYS A 34 5.027 -2.871 -13.980 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.062 -4.299 -12.160 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.677 -5.366 -12.280 1.00 0.00 H new ATOM 0 HG CYS A 34 7.317 -5.107 -14.361 1.00 0.00 H new ATOM 601 N CYS A 35 2.066 -3.975 -13.444 1.00 0.00 N ATOM 602 CA CYS A 35 0.836 -4.407 -14.062 1.00 0.00 C ATOM 603 C CYS A 35 -0.334 -3.715 -13.406 1.00 0.00 C ATOM 604 O CYS A 35 -0.201 -3.185 -12.306 1.00 0.00 O ATOM 605 CB CYS A 35 0.683 -5.919 -13.929 1.00 0.00 C ATOM 606 SG CYS A 35 0.722 -6.512 -12.228 1.00 0.00 S ATOM 0 H CYS A 35 1.964 -3.670 -12.476 1.00 0.00 H new ATOM 0 HA CYS A 35 0.862 -4.147 -15.120 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.259 -6.220 -14.387 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.480 -6.406 -14.491 1.00 0.00 H new ATOM 0 HG CYS A 35 0.583 -7.804 -12.216 1.00 0.00 H new ATOM 612 N ASP A 36 -1.443 -3.673 -14.093 1.00 0.00 N ATOM 613 CA ASP A 36 -2.673 -3.134 -13.549 1.00 0.00 C ATOM 614 C ASP A 36 -3.430 -4.229 -12.826 1.00 0.00 C ATOM 615 O ASP A 36 -3.862 -5.211 -13.419 1.00 0.00 O ATOM 616 CB ASP A 36 -3.573 -2.454 -14.628 1.00 0.00 C ATOM 617 CG ASP A 36 -4.111 -3.376 -15.718 1.00 0.00 C ATOM 618 OD1 ASP A 36 -5.201 -3.967 -15.553 1.00 0.00 O ATOM 619 OD2 ASP A 36 -3.466 -3.498 -16.782 1.00 0.00 O ATOM 0 H ASP A 36 -1.526 -4.012 -15.051 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.402 -2.347 -12.845 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.418 -1.984 -14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.001 -1.657 -15.102 1.00 0.00 H new ATOM 624 N VAL A 37 -3.453 -4.138 -11.545 1.00 0.00 N ATOM 625 CA VAL A 37 -4.189 -5.071 -10.738 1.00 0.00 C ATOM 626 C VAL A 37 -5.324 -4.335 -10.001 1.00 0.00 C ATOM 627 O VAL A 37 -5.213 -3.135 -9.725 1.00 0.00 O ATOM 628 CB VAL A 37 -3.257 -5.820 -9.753 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.702 -4.898 -8.744 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.940 -6.979 -9.083 1.00 0.00 C ATOM 0 H VAL A 37 -2.964 -3.416 -11.016 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.632 -5.827 -11.387 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.439 -6.226 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.052 -5.450 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.128 -4.117 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.516 -4.445 -8.178 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.243 -7.469 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.801 -6.618 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.272 -7.692 -9.838 1.00 0.00 H new ATOM 640 N LYS A 38 -6.393 -5.017 -9.679 1.00 0.00 N ATOM 641 CA LYS A 38 -7.455 -4.381 -8.916 1.00 0.00 C ATOM 642 C LYS A 38 -7.429 -4.793 -7.452 1.00 0.00 C ATOM 643 O LYS A 38 -8.321 -4.437 -6.692 1.00 0.00 O ATOM 644 CB LYS A 38 -8.870 -4.579 -9.514 1.00 0.00 C ATOM 645 CG LYS A 38 -9.296 -6.011 -9.832 1.00 0.00 C ATOM 646 CD LYS A 38 -8.841 -6.454 -11.221 1.00 0.00 C ATOM 647 CE LYS A 38 -9.460 -5.581 -12.310 1.00 0.00 C ATOM 648 NZ LYS A 38 -9.086 -6.025 -13.663 1.00 0.00 N ATOM 0 H LYS A 38 -6.557 -5.994 -9.924 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.243 -3.314 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.594 -4.157 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.934 -3.995 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.881 -6.686 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.381 -6.089 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.754 -6.402 -11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.121 -7.495 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.545 -5.597 -12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.142 -4.548 -12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.530 -5.402 -14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.052 -5.985 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.412 -7.002 -13.810 1.00 0.00 H new ATOM 662 N GLY A 39 -6.392 -5.492 -7.038 1.00 0.00 N ATOM 663 CA GLY A 39 -6.357 -5.931 -5.661 1.00 0.00 C ATOM 664 C GLY A 39 -7.129 -7.212 -5.496 1.00 0.00 C ATOM 665 O GLY A 39 -8.136 -7.250 -4.796 1.00 0.00 O ATOM 0 H GLY A 39 -5.591 -5.760 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.324 -6.079 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.779 -5.160 -5.017 1.00 0.00 H new ATOM 669 N GLY A 40 -6.700 -8.235 -6.199 1.00 0.00 N ATOM 670 CA GLY A 40 -7.428 -9.484 -6.225 1.00 0.00 C ATOM 671 C GLY A 40 -7.169 -10.352 -5.013 1.00 0.00 C ATOM 672 O GLY A 40 -6.375 -11.301 -5.081 1.00 0.00 O ATOM 0 H GLY A 40 -5.849 -8.227 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.495 -9.273 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.156 -10.037 -7.124 1.00 0.00 H new ATOM 676 N LYS A 41 -7.844 -10.025 -3.916 1.00 0.00 N ATOM 677 CA LYS A 41 -7.774 -10.759 -2.658 1.00 0.00 C ATOM 678 C LYS A 41 -6.415 -10.674 -1.988 1.00 0.00 C ATOM 679 O LYS A 41 -5.548 -11.547 -2.182 1.00 0.00 O ATOM 680 CB LYS A 41 -8.286 -12.207 -2.765 1.00 0.00 C ATOM 681 CG LYS A 41 -9.763 -12.302 -3.114 1.00 0.00 C ATOM 682 CD LYS A 41 -10.221 -13.741 -3.188 1.00 0.00 C ATOM 683 CE LYS A 41 -11.699 -13.837 -3.535 1.00 0.00 C ATOM 684 NZ LYS A 41 -12.148 -15.243 -3.611 1.00 0.00 N ATOM 0 H LYS A 41 -8.471 -9.221 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.470 -10.244 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.707 -12.734 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.111 -12.717 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.350 -11.770 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.945 -11.811 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.635 -14.273 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.038 -14.232 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.285 -13.307 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.882 -13.343 -4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.160 -15.272 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.605 -15.742 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.995 -15.706 -2.692 1.00 0.00 H new ATOM 698 N ASN A 42 -6.229 -9.571 -1.263 1.00 0.00 N ATOM 699 CA ASN A 42 -5.029 -9.264 -0.463 1.00 0.00 C ATOM 700 C ASN A 42 -3.973 -8.534 -1.241 1.00 0.00 C ATOM 701 O ASN A 42 -2.803 -8.614 -0.907 1.00 0.00 O ATOM 702 CB ASN A 42 -4.439 -10.484 0.297 1.00 0.00 C ATOM 703 CG ASN A 42 -5.322 -10.982 1.425 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.030 -10.212 2.061 1.00 0.00 O ATOM 705 ND2 ASN A 42 -5.287 -12.264 1.681 1.00 0.00 N ATOM 0 H ASN A 42 -6.933 -8.835 -1.211 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.391 -8.582 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.274 -11.297 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.465 -10.212 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.861 -12.650 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.686 -12.878 1.131 1.00 0.00 H new ATOM 712 N GLU A 43 -4.387 -7.811 -2.268 1.00 0.00 N ATOM 713 CA GLU A 43 -3.483 -6.936 -3.001 1.00 0.00 C ATOM 714 C GLU A 43 -3.954 -5.481 -2.967 1.00 0.00 C ATOM 715 O GLU A 43 -5.035 -5.164 -2.450 1.00 0.00 O ATOM 716 CB GLU A 43 -3.253 -7.357 -4.461 1.00 0.00 C ATOM 717 CG GLU A 43 -2.044 -8.247 -4.705 1.00 0.00 C ATOM 718 CD GLU A 43 -2.246 -9.671 -4.295 1.00 0.00 C ATOM 719 OE1 GLU A 43 -3.251 -10.267 -4.687 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.351 -10.260 -3.671 1.00 0.00 O ATOM 0 H GLU A 43 -5.346 -7.812 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.529 -7.029 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.143 -7.878 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.148 -6.458 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.791 -8.217 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.191 -7.841 -4.162 1.00 0.00 H new ATOM 727 N LEU A 44 -3.124 -4.625 -3.520 1.00 0.00 N ATOM 728 CA LEU A 44 -3.361 -3.209 -3.679 1.00 0.00 C ATOM 729 C LEU A 44 -3.891 -2.996 -5.078 1.00 0.00 C ATOM 730 O LEU A 44 -3.565 -3.757 -5.981 1.00 0.00 O ATOM 731 CB LEU A 44 -1.982 -2.507 -3.554 1.00 0.00 C ATOM 732 CG LEU A 44 -1.873 -1.002 -3.872 1.00 0.00 C ATOM 733 CD1 LEU A 44 -2.633 -0.150 -2.897 1.00 0.00 C ATOM 734 CD2 LEU A 44 -0.426 -0.582 -3.892 1.00 0.00 C ATOM 0 H LEU A 44 -2.218 -4.914 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.064 -2.821 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.631 -2.653 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.286 -3.032 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.320 -0.851 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.522 0.900 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.688 -0.422 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.241 -0.309 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.359 0.482 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.023 -0.775 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.107 -1.149 -4.656 1.00 0.00 H new ATOM 746 N SER A 45 -4.728 -2.028 -5.244 1.00 0.00 N ATOM 747 CA SER A 45 -5.265 -1.723 -6.538 1.00 0.00 C ATOM 748 C SER A 45 -4.477 -0.592 -7.184 1.00 0.00 C ATOM 749 O SER A 45 -4.353 0.508 -6.614 1.00 0.00 O ATOM 750 CB SER A 45 -6.751 -1.411 -6.421 1.00 0.00 C ATOM 751 OG SER A 45 -7.017 -0.576 -5.297 1.00 0.00 O ATOM 0 H SER A 45 -5.062 -1.424 -4.493 1.00 0.00 H new ATOM 0 HA SER A 45 -5.166 -2.589 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.095 -0.920 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.314 -2.340 -6.328 1.00 0.00 H new ATOM 0 HG SER A 45 -7.978 -0.390 -5.247 1.00 0.00 H new ATOM 757 N PHE A 46 -3.927 -0.864 -8.343 1.00 0.00 N ATOM 758 CA PHE A 46 -3.088 0.078 -9.052 1.00 0.00 C ATOM 759 C PHE A 46 -3.087 -0.218 -10.521 1.00 0.00 C ATOM 760 O PHE A 46 -3.405 -1.325 -10.940 1.00 0.00 O ATOM 761 CB PHE A 46 -1.644 0.078 -8.501 1.00 0.00 C ATOM 762 CG PHE A 46 -1.008 -1.281 -8.349 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.308 -1.861 -9.382 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.082 -1.950 -7.149 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.311 -3.081 -9.222 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.474 -3.170 -6.982 1.00 0.00 C ATOM 767 CZ PHE A 46 0.226 -3.737 -8.020 1.00 0.00 C ATOM 0 H PHE A 46 -4.049 -1.754 -8.827 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.504 1.073 -8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.021 0.680 -9.163 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.645 0.571 -7.529 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.243 -1.352 -10.332 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.626 -1.509 -6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.862 -3.520 -10.041 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.546 -3.684 -6.035 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.707 -4.695 -7.890 1.00 0.00 H new ATOM 777 N LYS A 47 -2.722 0.752 -11.289 1.00 0.00 N ATOM 778 CA LYS A 47 -2.667 0.597 -12.711 1.00 0.00 C ATOM 779 C LYS A 47 -1.231 0.574 -13.140 1.00 0.00 C ATOM 780 O LYS A 47 -0.378 1.140 -12.470 1.00 0.00 O ATOM 781 CB LYS A 47 -3.442 1.712 -13.413 1.00 0.00 C ATOM 782 CG LYS A 47 -4.936 1.713 -13.109 1.00 0.00 C ATOM 783 CD LYS A 47 -5.666 0.509 -13.707 1.00 0.00 C ATOM 784 CE LYS A 47 -5.639 0.522 -15.239 1.00 0.00 C ATOM 785 NZ LYS A 47 -6.322 1.707 -15.805 1.00 0.00 N ATOM 0 H LYS A 47 -2.452 1.677 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.139 -0.344 -12.995 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.021 2.674 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.300 1.617 -14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.082 1.720 -12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.380 2.630 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.206 -0.410 -13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.700 0.505 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.604 0.504 -15.582 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.115 -0.383 -15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.442 1.582 -16.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.255 1.817 -15.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.750 2.557 -15.625 1.00 0.00 H new ATOM 799 N GLN A 48 -0.977 -0.085 -14.228 1.00 0.00 N ATOM 800 CA GLN A 48 0.363 -0.270 -14.753 1.00 0.00 C ATOM 801 C GLN A 48 0.962 1.093 -15.106 1.00 0.00 C ATOM 802 O GLN A 48 0.443 1.815 -15.963 1.00 0.00 O ATOM 803 CB GLN A 48 0.277 -1.198 -15.982 1.00 0.00 C ATOM 804 CG GLN A 48 1.580 -1.840 -16.486 1.00 0.00 C ATOM 805 CD GLN A 48 2.591 -0.887 -17.075 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.530 -0.581 -18.259 1.00 0.00 O ATOM 807 NE2 GLN A 48 3.555 -0.466 -16.298 1.00 0.00 N ATOM 0 H GLN A 48 -1.702 -0.523 -14.796 1.00 0.00 H new ATOM 0 HA GLN A 48 1.016 -0.733 -14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.423 -2.000 -15.748 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.155 -0.627 -16.804 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.047 -2.370 -15.656 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.329 -2.586 -17.240 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.575 -0.740 -15.316 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.287 0.137 -16.674 1.00 0.00 H new ATOM 816 N GLY A 49 2.032 1.434 -14.424 1.00 0.00 N ATOM 817 CA GLY A 49 2.684 2.697 -14.649 1.00 0.00 C ATOM 818 C GLY A 49 2.129 3.801 -13.775 1.00 0.00 C ATOM 819 O GLY A 49 2.210 4.973 -14.120 1.00 0.00 O ATOM 0 H GLY A 49 2.467 0.851 -13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.752 2.590 -14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.574 2.977 -15.697 1.00 0.00 H new ATOM 823 N GLU A 50 1.558 3.430 -12.650 1.00 0.00 N ATOM 824 CA GLU A 50 1.000 4.408 -11.724 1.00 0.00 C ATOM 825 C GLU A 50 1.956 4.797 -10.635 1.00 0.00 C ATOM 826 O GLU A 50 1.859 5.909 -10.093 1.00 0.00 O ATOM 827 CB GLU A 50 -0.325 3.950 -11.140 1.00 0.00 C ATOM 828 CG GLU A 50 -1.513 4.336 -11.994 1.00 0.00 C ATOM 829 CD GLU A 50 -1.610 5.833 -12.159 1.00 0.00 C ATOM 830 OE1 GLU A 50 -1.023 6.382 -13.112 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.252 6.498 -11.310 1.00 0.00 O ATOM 0 H GLU A 50 1.465 2.460 -12.349 1.00 0.00 H new ATOM 0 HA GLU A 50 0.815 5.302 -12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.308 2.867 -11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.445 4.379 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.427 3.865 -12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.428 3.959 -11.538 1.00 0.00 H new ATOM 838 N GLN A 51 2.878 3.899 -10.350 1.00 0.00 N ATOM 839 CA GLN A 51 3.888 4.060 -9.316 1.00 0.00 C ATOM 840 C GLN A 51 3.320 3.935 -7.898 1.00 0.00 C ATOM 841 O GLN A 51 2.259 4.464 -7.559 1.00 0.00 O ATOM 842 CB GLN A 51 4.751 5.304 -9.538 1.00 0.00 C ATOM 843 CG GLN A 51 5.769 5.567 -8.462 1.00 0.00 C ATOM 844 CD GLN A 51 6.802 6.551 -8.899 1.00 0.00 C ATOM 845 OE1 GLN A 51 7.247 7.354 -8.001 1.00 0.00 O flip ATOM 846 NE2 GLN A 51 7.156 6.619 -10.080 1.00 0.00 N flip ATOM 0 H GLN A 51 2.949 3.010 -10.845 1.00 0.00 H new ATOM 0 HA GLN A 51 4.570 3.215 -9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.269 5.204 -10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.097 6.172 -9.620 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.266 5.941 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.254 4.631 -8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.780 5.962 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.825 7.332 -10.372 1.00 0.00 H new ATOM 855 N ILE A 52 4.029 3.184 -7.109 1.00 0.00 N ATOM 856 CA ILE A 52 3.646 2.806 -5.773 1.00 0.00 C ATOM 857 C ILE A 52 4.830 3.114 -4.855 1.00 0.00 C ATOM 858 O ILE A 52 5.900 3.434 -5.334 1.00 0.00 O ATOM 859 CB ILE A 52 3.370 1.269 -5.749 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.486 0.879 -6.940 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.747 0.813 -4.433 1.00 0.00 C ATOM 862 CD1 ILE A 52 1.910 -0.490 -6.847 1.00 0.00 C ATOM 0 H ILE A 52 4.931 2.799 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 52 2.754 3.344 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 52 4.329 0.758 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.672 1.599 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.074 0.953 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.574 -0.263 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.422 1.047 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.799 1.328 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.298 -0.688 -7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.717 -1.221 -6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.293 -0.565 -5.952 1.00 0.00 H new ATOM 874 N GLU A 53 4.649 3.043 -3.577 1.00 0.00 N ATOM 875 CA GLU A 53 5.740 3.226 -2.662 1.00 0.00 C ATOM 876 C GLU A 53 5.885 1.939 -1.865 1.00 0.00 C ATOM 877 O GLU A 53 4.880 1.359 -1.436 1.00 0.00 O ATOM 878 CB GLU A 53 5.436 4.353 -1.705 1.00 0.00 C ATOM 879 CG GLU A 53 4.807 5.582 -2.352 1.00 0.00 C ATOM 880 CD GLU A 53 4.312 6.575 -1.337 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.406 6.238 -0.557 1.00 0.00 O ATOM 882 OE2 GLU A 53 4.808 7.728 -1.318 1.00 0.00 O ATOM 0 H GLU A 53 3.749 2.858 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 53 6.651 3.465 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.765 3.983 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.360 4.652 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.540 6.063 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.977 5.271 -2.986 1.00 0.00 H new ATOM 889 N ILE A 54 7.093 1.475 -1.693 1.00 0.00 N ATOM 890 CA ILE A 54 7.315 0.285 -0.901 1.00 0.00 C ATOM 891 C ILE A 54 7.610 0.708 0.525 1.00 0.00 C ATOM 892 O ILE A 54 8.451 1.585 0.764 1.00 0.00 O ATOM 893 CB ILE A 54 8.471 -0.650 -1.457 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.623 -1.910 -0.616 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.796 0.049 -1.535 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.456 -2.828 -0.679 1.00 0.00 C ATOM 0 H ILE A 54 7.936 1.895 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 54 6.409 -0.319 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 54 8.168 -0.920 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.512 -2.448 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.790 -1.623 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.548 -0.639 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.715 0.909 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.089 0.385 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.645 -3.700 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.566 -2.310 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.300 -3.148 -1.709 1.00 0.00 H new ATOM 908 N ILE A 55 6.884 0.159 1.446 1.00 0.00 N ATOM 909 CA ILE A 55 7.101 0.456 2.838 1.00 0.00 C ATOM 910 C ILE A 55 7.663 -0.740 3.568 1.00 0.00 C ATOM 911 O ILE A 55 8.741 -0.666 4.117 1.00 0.00 O ATOM 912 CB ILE A 55 5.861 1.043 3.597 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.573 0.256 3.319 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.669 2.523 3.273 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.907 0.597 2.026 1.00 0.00 C ATOM 0 H ILE A 55 6.129 -0.503 1.264 1.00 0.00 H new ATOM 0 HA ILE A 55 7.836 1.261 2.837 1.00 0.00 H new ATOM 0 HB ILE A 55 6.072 0.944 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.804 -0.809 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.870 0.434 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.802 2.904 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.557 3.079 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.511 2.643 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.006 -0.005 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.640 1.654 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.588 0.392 1.200 1.00 0.00 H new ATOM 927 N ARG A 56 6.983 -1.867 3.537 1.00 0.00 N ATOM 928 CA ARG A 56 7.507 -2.992 4.239 1.00 0.00 C ATOM 929 C ARG A 56 7.774 -4.119 3.276 1.00 0.00 C ATOM 930 O ARG A 56 6.949 -4.427 2.425 1.00 0.00 O ATOM 931 CB ARG A 56 6.625 -3.443 5.426 1.00 0.00 C ATOM 932 CG ARG A 56 7.454 -4.220 6.424 1.00 0.00 C ATOM 933 CD ARG A 56 6.813 -4.395 7.778 1.00 0.00 C ATOM 934 NE ARG A 56 7.829 -4.729 8.783 1.00 0.00 N ATOM 935 CZ ARG A 56 7.759 -5.695 9.707 1.00 0.00 C ATOM 936 NH1 ARG A 56 6.736 -6.539 9.738 1.00 0.00 N ATOM 937 NH2 ARG A 56 8.749 -5.826 10.590 1.00 0.00 N ATOM 0 H ARG A 56 6.100 -2.016 3.049 1.00 0.00 H new ATOM 0 HA ARG A 56 8.449 -2.681 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.180 -2.573 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.803 -4.061 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.668 -5.205 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.411 -3.714 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.296 -3.479 8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.063 -5.184 7.733 1.00 0.00 H new ATOM 0 HE ARG A 56 8.679 -4.165 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.987 -6.458 9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.699 -7.269 10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.549 -5.194 10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.707 -6.558 11.299 1.00 0.00 H new ATOM 951 N ILE A 57 8.931 -4.682 3.381 1.00 0.00 N ATOM 952 CA ILE A 57 9.366 -5.765 2.520 1.00 0.00 C ATOM 953 C ILE A 57 9.605 -7.027 3.314 1.00 0.00 C ATOM 954 O ILE A 57 9.362 -8.133 2.833 1.00 0.00 O ATOM 955 CB ILE A 57 10.661 -5.428 1.677 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.703 -4.576 2.450 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.321 -4.782 0.356 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.347 -3.095 2.584 1.00 0.00 C ATOM 0 H ILE A 57 9.625 -4.407 4.077 1.00 0.00 H new ATOM 0 HA ILE A 57 8.550 -5.915 1.813 1.00 0.00 H new ATOM 0 HB ILE A 57 11.131 -6.392 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.828 -4.997 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.666 -4.660 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.239 -4.567 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.699 -5.458 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.779 -3.853 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.132 -2.581 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.253 -2.652 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.402 -2.995 3.117 1.00 0.00 H new ATOM 970 N THR A 58 10.038 -6.862 4.532 1.00 0.00 N ATOM 971 CA THR A 58 10.373 -7.977 5.363 1.00 0.00 C ATOM 972 C THR A 58 9.362 -8.207 6.454 1.00 0.00 C ATOM 973 O THR A 58 8.558 -7.327 6.766 1.00 0.00 O ATOM 974 CB THR A 58 11.787 -7.818 5.958 1.00 0.00 C ATOM 975 OG1 THR A 58 12.005 -6.443 6.387 1.00 0.00 O ATOM 976 CG2 THR A 58 12.834 -8.221 4.947 1.00 0.00 C ATOM 0 H THR A 58 10.168 -5.952 4.973 1.00 0.00 H new ATOM 0 HA THR A 58 10.360 -8.859 4.723 1.00 0.00 H new ATOM 0 HB THR A 58 11.871 -8.472 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.905 -6.357 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.826 -8.103 5.383 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.684 -9.263 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.749 -7.589 4.063 1.00 0.00 H new ATOM 984 N ASP A 59 9.403 -9.411 6.983 1.00 0.00 N ATOM 985 CA ASP A 59 8.584 -9.875 8.087 1.00 0.00 C ATOM 986 C ASP A 59 7.109 -9.919 7.746 1.00 0.00 C ATOM 987 O ASP A 59 6.305 -9.095 8.189 1.00 0.00 O ATOM 988 CB ASP A 59 8.867 -9.129 9.401 1.00 0.00 C ATOM 989 CG ASP A 59 8.072 -9.664 10.569 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.279 -10.834 10.962 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.234 -8.929 11.129 1.00 0.00 O ATOM 0 H ASP A 59 10.039 -10.130 6.639 1.00 0.00 H new ATOM 0 HA ASP A 59 8.884 -10.908 8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.930 -9.199 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.639 -8.071 9.268 1.00 0.00 H new ATOM 996 N ASN A 60 6.781 -10.834 6.884 1.00 0.00 N ATOM 997 CA ASN A 60 5.396 -11.082 6.503 1.00 0.00 C ATOM 998 C ASN A 60 5.221 -12.583 6.253 1.00 0.00 C ATOM 999 O ASN A 60 6.224 -13.297 6.116 1.00 0.00 O ATOM 1000 CB ASN A 60 5.018 -10.274 5.256 1.00 0.00 C ATOM 1001 CG ASN A 60 5.699 -10.753 4.008 1.00 0.00 C ATOM 1002 OD1 ASN A 60 5.171 -11.610 3.315 1.00 0.00 O ATOM 1003 ND2 ASN A 60 6.854 -10.211 3.711 1.00 0.00 N ATOM 0 H ASN A 60 7.457 -11.438 6.416 1.00 0.00 H new ATOM 0 HA ASN A 60 4.733 -10.764 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.938 -10.323 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.271 -9.227 5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.352 -10.501 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.255 -9.499 4.321 1.00 0.00 H new ATOM 1010 N PRO A 61 3.985 -13.112 6.220 1.00 0.00 N ATOM 1011 CA PRO A 61 3.755 -14.550 6.064 1.00 0.00 C ATOM 1012 C PRO A 61 3.484 -15.026 4.617 1.00 0.00 C ATOM 1013 O PRO A 61 3.099 -16.176 4.411 1.00 0.00 O ATOM 1014 CB PRO A 61 2.504 -14.750 6.909 1.00 0.00 C ATOM 1015 CG PRO A 61 1.713 -13.487 6.727 1.00 0.00 C ATOM 1016 CD PRO A 61 2.704 -12.387 6.409 1.00 0.00 C ATOM 0 HA PRO A 61 4.638 -15.121 6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.939 -15.622 6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.756 -14.911 7.957 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.988 -13.598 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.151 -13.250 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.418 -11.838 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.770 -11.661 7.219 1.00 0.00 H new ATOM 1024 N GLU A 62 3.692 -14.180 3.626 1.00 0.00 N ATOM 1025 CA GLU A 62 3.353 -14.571 2.255 1.00 0.00 C ATOM 1026 C GLU A 62 4.566 -14.476 1.312 1.00 0.00 C ATOM 1027 O GLU A 62 4.667 -15.219 0.333 1.00 0.00 O ATOM 1028 CB GLU A 62 2.217 -13.679 1.734 1.00 0.00 C ATOM 1029 CG GLU A 62 1.646 -14.073 0.369 1.00 0.00 C ATOM 1030 CD GLU A 62 0.835 -15.346 0.398 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.375 -15.278 0.677 1.00 0.00 O ATOM 1032 OE2 GLU A 62 1.380 -16.445 0.117 1.00 0.00 O ATOM 0 H GLU A 62 4.082 -13.243 3.729 1.00 0.00 H new ATOM 0 HA GLU A 62 3.033 -15.613 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.407 -13.688 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.581 -12.653 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.020 -13.261 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.467 -14.191 -0.339 1.00 0.00 H new ATOM 1039 N GLY A 63 5.463 -13.570 1.603 1.00 0.00 N ATOM 1040 CA GLY A 63 6.605 -13.328 0.747 1.00 0.00 C ATOM 1041 C GLY A 63 6.337 -12.138 -0.144 1.00 0.00 C ATOM 1042 O GLY A 63 7.140 -11.784 -1.007 1.00 0.00 O ATOM 0 H GLY A 63 5.427 -12.980 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.493 -13.147 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.808 -14.210 0.139 1.00 0.00 H new ATOM 1046 N LYS A 64 5.198 -11.527 0.085 1.00 0.00 N ATOM 1047 CA LYS A 64 4.720 -10.411 -0.663 1.00 0.00 C ATOM 1048 C LYS A 64 5.163 -9.120 0.020 1.00 0.00 C ATOM 1049 O LYS A 64 5.572 -9.144 1.173 1.00 0.00 O ATOM 1050 CB LYS A 64 3.199 -10.500 -0.778 1.00 0.00 C ATOM 1051 CG LYS A 64 2.403 -10.073 0.461 1.00 0.00 C ATOM 1052 CD LYS A 64 0.951 -10.528 0.371 1.00 0.00 C ATOM 1053 CE LYS A 64 0.372 -10.252 -1.000 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.036 -10.622 -1.104 1.00 0.00 N ATOM 0 H LYS A 64 4.562 -11.813 0.829 1.00 0.00 H new ATOM 0 HA LYS A 64 5.136 -10.417 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.882 -9.883 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.933 -11.529 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.864 -10.494 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.441 -8.989 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.888 -11.595 0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.359 -10.014 1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.482 -9.192 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.944 -10.801 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.262 -10.853 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.223 -11.450 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.628 -9.827 -0.790 1.00 0.00 H new ATOM 1068 N TRP A 65 5.112 -8.031 -0.684 1.00 0.00 N ATOM 1069 CA TRP A 65 5.578 -6.768 -0.157 1.00 0.00 C ATOM 1070 C TRP A 65 4.420 -5.918 0.278 1.00 0.00 C ATOM 1071 O TRP A 65 3.283 -6.226 -0.002 1.00 0.00 O ATOM 1072 CB TRP A 65 6.379 -6.017 -1.202 1.00 0.00 C ATOM 1073 CG TRP A 65 7.703 -6.609 -1.511 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.444 -7.441 -0.719 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.468 -6.397 -2.695 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.611 -7.771 -1.351 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.653 -7.139 -2.563 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.260 -5.660 -3.865 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.622 -7.156 -3.546 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.227 -5.681 -4.835 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.389 -6.422 -4.671 1.00 0.00 C ATOM 0 H TRP A 65 4.750 -7.984 -1.636 1.00 0.00 H new ATOM 0 HA TRP A 65 6.214 -6.980 0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.795 -5.967 -2.121 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.525 -4.992 -0.861 1.00 0.00 H new ATOM 0 HD1 TRP A 65 8.151 -7.787 0.261 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.333 -8.388 -0.979 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.355 -5.086 -4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.530 -7.729 -3.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.083 -5.112 -5.742 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.130 -6.417 -5.457 1.00 0.00 H new ATOM 1092 N LEU A 66 4.705 -4.855 0.957 1.00 0.00 N ATOM 1093 CA LEU A 66 3.690 -3.948 1.360 1.00 0.00 C ATOM 1094 C LEU A 66 3.850 -2.692 0.559 1.00 0.00 C ATOM 1095 O LEU A 66 4.832 -1.971 0.726 1.00 0.00 O ATOM 1096 CB LEU A 66 3.791 -3.624 2.854 1.00 0.00 C ATOM 1097 CG LEU A 66 2.674 -2.749 3.409 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.369 -3.462 3.315 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.938 -2.364 4.832 1.00 0.00 C ATOM 0 H LEU A 66 5.648 -4.594 1.246 1.00 0.00 H new ATOM 0 HA LEU A 66 2.713 -4.400 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.807 -4.561 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.744 -3.127 3.037 1.00 0.00 H new ATOM 0 HG LEU A 66 2.636 -1.839 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.578 -2.827 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.156 -3.694 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.417 -4.387 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.122 -1.740 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.010 -3.263 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.874 -1.809 4.891 1.00 0.00 H new ATOM 1111 N GLY A 67 2.926 -2.447 -0.324 1.00 0.00 N ATOM 1112 CA GLY A 67 2.997 -1.273 -1.131 1.00 0.00 C ATOM 1113 C GLY A 67 1.890 -0.325 -0.794 1.00 0.00 C ATOM 1114 O GLY A 67 0.762 -0.763 -0.495 1.00 0.00 O ATOM 0 H GLY A 67 2.119 -3.045 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.959 -0.782 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.938 -1.547 -2.184 1.00 0.00 H new ATOM 1118 N ARG A 68 2.202 0.941 -0.828 1.00 0.00 N ATOM 1119 CA ARG A 68 1.282 1.990 -0.477 1.00 0.00 C ATOM 1120 C ARG A 68 1.155 2.969 -1.610 1.00 0.00 C ATOM 1121 O ARG A 68 2.040 3.089 -2.441 1.00 0.00 O ATOM 1122 CB ARG A 68 1.787 2.731 0.763 1.00 0.00 C ATOM 1123 CG ARG A 68 0.928 3.871 1.278 1.00 0.00 C ATOM 1124 CD ARG A 68 1.742 4.757 2.205 1.00 0.00 C ATOM 1125 NE ARG A 68 0.976 5.902 2.705 1.00 0.00 N ATOM 1126 CZ ARG A 68 1.063 7.157 2.220 1.00 0.00 C ATOM 1127 NH1 ARG A 68 1.851 7.436 1.189 1.00 0.00 N ATOM 1128 NH2 ARG A 68 0.332 8.132 2.766 1.00 0.00 N ATOM 0 H ARG A 68 3.123 1.281 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 68 0.309 1.543 -0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.905 2.005 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.778 3.126 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.548 4.458 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.062 3.474 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.097 4.165 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.624 5.118 1.676 1.00 0.00 H new ATOM 0 HE ARG A 68 0.330 5.737 3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.401 6.696 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.906 8.390 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.290 7.926 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.396 9.082 2.401 1.00 0.00 H new ATOM 1142 N THR A 69 0.055 3.628 -1.643 1.00 0.00 N ATOM 1143 CA THR A 69 -0.174 4.686 -2.575 1.00 0.00 C ATOM 1144 C THR A 69 -0.272 5.964 -1.733 1.00 0.00 C ATOM 1145 O THR A 69 -0.498 5.859 -0.535 1.00 0.00 O ATOM 1146 CB THR A 69 -1.457 4.410 -3.385 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.443 3.021 -3.758 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.458 5.233 -4.667 1.00 0.00 C ATOM 0 H THR A 69 -0.729 3.449 -1.015 1.00 0.00 H new ATOM 0 HA THR A 69 0.625 4.780 -3.310 1.00 0.00 H new ATOM 0 HB THR A 69 -2.331 4.666 -2.787 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.249 2.813 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.369 5.029 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.415 6.293 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.591 4.966 -5.271 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.121 7.129 -2.350 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.020 8.448 -1.651 1.00 0.00 C ATOM 1158 C ALA A 70 -1.127 8.707 -0.608 1.00 0.00 C ATOM 1159 O ALA A 70 -0.925 9.432 0.370 1.00 0.00 O ATOM 1160 CB ALA A 70 0.003 9.566 -2.668 1.00 0.00 C ATOM 0 H ALA A 70 -0.062 7.208 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 70 0.913 8.417 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.077 10.524 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.862 9.441 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.913 9.540 -3.258 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.269 8.129 -0.830 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.405 8.239 0.077 1.00 0.00 C ATOM 1168 C ARG A 71 -3.157 7.474 1.391 1.00 0.00 C ATOM 1169 O ARG A 71 -3.642 7.857 2.451 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.657 7.716 -0.645 1.00 0.00 C ATOM 1171 CG ARG A 71 -5.894 7.519 0.214 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.265 8.756 0.978 1.00 0.00 C ATOM 1173 NE ARG A 71 -7.527 8.572 1.693 1.00 0.00 N ATOM 1174 CZ ARG A 71 -8.208 9.531 2.314 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -7.661 10.718 2.525 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -9.415 9.260 2.789 1.00 0.00 N ATOM 0 H ARG A 71 -2.455 7.557 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.549 9.284 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.905 8.410 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.410 6.763 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.730 7.223 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.720 6.702 0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.474 9.001 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.351 9.599 0.292 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.918 7.630 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.709 10.904 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.192 11.447 3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.810 8.326 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.949 9.985 3.268 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.369 6.454 1.313 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.162 5.602 2.429 1.00 0.00 C ATOM 1192 C GLY A 72 -3.058 4.433 2.335 1.00 0.00 C ATOM 1193 O GLY A 72 -3.956 4.241 3.141 1.00 0.00 O ATOM 0 H GLY A 72 -1.852 6.190 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.123 5.274 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.353 6.146 3.354 1.00 0.00 H new ATOM 1197 N SER A 73 -2.764 3.638 1.396 1.00 0.00 N ATOM 1198 CA SER A 73 -3.495 2.521 1.035 1.00 0.00 C ATOM 1199 C SER A 73 -2.427 1.526 0.830 1.00 0.00 C ATOM 1200 O SER A 73 -1.541 1.719 0.009 1.00 0.00 O ATOM 1201 CB SER A 73 -4.221 2.768 -0.275 1.00 0.00 C ATOM 1202 OG SER A 73 -4.886 4.044 -0.276 1.00 0.00 O ATOM 0 H SER A 73 -1.935 3.769 0.816 1.00 0.00 H new ATOM 0 HA SER A 73 -4.254 2.231 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.510 2.726 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.951 1.976 -0.443 1.00 0.00 H new ATOM 0 HG SER A 73 -5.343 4.174 -1.133 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.472 0.570 1.591 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.482 -0.423 1.700 1.00 0.00 C ATOM 1210 C TYR A 74 -2.133 -1.712 1.282 1.00 0.00 C ATOM 1211 O TYR A 74 -2.986 -2.235 1.995 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.101 -0.499 3.162 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.400 0.685 3.808 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.137 1.754 4.311 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.973 0.709 3.978 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.524 2.808 4.949 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.596 1.761 4.632 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.842 2.806 5.112 1.00 0.00 C ATOM 1219 OH TYR A 74 1.454 3.860 5.775 1.00 0.00 O ATOM 0 H TYR A 74 -3.257 0.416 2.224 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.600 -0.222 1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.012 -0.690 3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.458 -1.370 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.211 1.756 4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.570 -0.106 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.113 3.634 5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.668 1.760 4.764 1.00 0.00 H new ATOM 0 HH TYR A 74 2.422 3.708 5.808 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.828 -2.177 0.115 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.504 -3.341 -0.347 1.00 0.00 C ATOM 1231 C GLY A 75 -1.752 -4.600 -0.276 1.00 0.00 C ATOM 1232 O GLY A 75 -2.294 -5.596 -0.606 1.00 0.00 O ATOM 0 H GLY A 75 -1.135 -1.781 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.421 -3.457 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.799 -3.177 -1.383 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.531 -4.567 0.216 1.00 0.00 N ATOM 1237 CA TYR A 76 0.327 -5.775 0.266 1.00 0.00 C ATOM 1238 C TYR A 76 0.396 -6.464 -1.089 1.00 0.00 C ATOM 1239 O TYR A 76 -0.316 -7.390 -1.395 1.00 0.00 O ATOM 1240 CB TYR A 76 0.045 -6.771 1.459 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.245 -6.521 2.213 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -1.312 -5.539 3.182 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -2.399 -7.221 1.917 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -2.476 -5.269 3.830 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -3.581 -6.943 2.559 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.613 -5.965 3.518 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.792 -5.675 4.165 1.00 0.00 O ATOM 0 H TYR A 76 -0.093 -3.726 0.592 1.00 0.00 H new ATOM 0 HA TYR A 76 1.323 -5.399 0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.027 -7.788 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.876 -6.715 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.424 -4.976 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.371 -7.999 1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.504 -4.504 4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.478 -7.491 2.310 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.547 -5.859 3.567 1.00 0.00 H new ATOM 1257 N ILE A 77 1.216 -5.920 -1.891 1.00 0.00 N ATOM 1258 CA ILE A 77 1.436 -6.335 -3.221 1.00 0.00 C ATOM 1259 C ILE A 77 2.092 -7.640 -3.303 1.00 0.00 C ATOM 1260 O ILE A 77 3.000 -7.958 -2.536 1.00 0.00 O ATOM 1261 CB ILE A 77 2.371 -5.374 -3.951 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.475 -4.869 -3.006 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.619 -4.238 -4.587 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.421 -3.894 -3.623 1.00 0.00 C ATOM 0 H ILE A 77 1.791 -5.121 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 77 0.443 -6.370 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 77 2.849 -5.924 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.008 -4.403 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.043 -5.725 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.321 -3.577 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.904 -4.634 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.086 -3.679 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.165 -3.592 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.921 -4.360 -4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.870 -3.017 -3.962 1.00 0.00 H new ATOM 1276 N LYS A 78 1.686 -8.380 -4.241 1.00 0.00 N ATOM 1277 CA LYS A 78 2.422 -9.473 -4.587 1.00 0.00 C ATOM 1278 C LYS A 78 3.518 -8.864 -5.465 1.00 0.00 C ATOM 1279 O LYS A 78 3.265 -8.177 -6.435 1.00 0.00 O ATOM 1280 CB LYS A 78 1.591 -10.550 -5.297 1.00 0.00 C ATOM 1281 CG LYS A 78 1.032 -10.124 -6.611 1.00 0.00 C ATOM 1282 CD LYS A 78 0.338 -11.263 -7.384 1.00 0.00 C ATOM 1283 CE LYS A 78 -1.019 -11.727 -6.784 1.00 0.00 C ATOM 1284 NZ LYS A 78 -0.918 -12.345 -5.435 1.00 0.00 N ATOM 0 H LYS A 78 0.833 -8.233 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 78 2.822 -10.018 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.213 -11.432 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.770 -10.848 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.317 -9.318 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.836 -9.717 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.173 -10.938 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.012 -12.118 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.689 -10.869 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.477 -12.445 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.696 -13.023 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.008 -12.841 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.979 -11.604 -4.708 1.00 0.00 H new ATOM 1298 N THR A 79 4.651 -8.988 -4.967 1.00 0.00 N ATOM 1299 CA THR A 79 5.947 -8.500 -5.478 1.00 0.00 C ATOM 1300 C THR A 79 6.077 -8.524 -7.022 1.00 0.00 C ATOM 1301 O THR A 79 6.610 -7.592 -7.617 1.00 0.00 O ATOM 1302 CB THR A 79 7.050 -9.414 -4.896 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.788 -10.780 -5.284 1.00 0.00 O ATOM 1304 CG2 THR A 79 7.028 -9.381 -3.393 1.00 0.00 C ATOM 0 H THR A 79 4.771 -9.485 -4.084 1.00 0.00 H new ATOM 0 HA THR A 79 6.037 -7.457 -5.173 1.00 0.00 H new ATOM 0 HB THR A 79 8.011 -9.062 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.486 -11.363 -4.919 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.812 -10.031 -3.003 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.198 -8.361 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.058 -9.728 -3.036 1.00 0.00 H new ATOM 1312 N THR A 80 5.543 -9.545 -7.636 1.00 0.00 N ATOM 1313 CA THR A 80 5.565 -9.727 -9.074 1.00 0.00 C ATOM 1314 C THR A 80 4.664 -8.677 -9.804 1.00 0.00 C ATOM 1315 O THR A 80 4.652 -8.590 -11.033 1.00 0.00 O ATOM 1316 CB THR A 80 5.103 -11.177 -9.398 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.119 -11.448 -10.811 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.709 -11.427 -8.814 1.00 0.00 C ATOM 0 H THR A 80 5.065 -10.298 -7.141 1.00 0.00 H new ATOM 0 HA THR A 80 6.581 -9.572 -9.437 1.00 0.00 H new ATOM 0 HB THR A 80 5.813 -11.862 -8.935 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.037 -10.606 -11.306 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.394 -12.444 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.738 -11.294 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.001 -10.721 -9.247 1.00 0.00 H new ATOM 1326 N ALA A 81 3.914 -7.890 -9.048 1.00 0.00 N ATOM 1327 CA ALA A 81 3.065 -6.888 -9.627 1.00 0.00 C ATOM 1328 C ALA A 81 3.775 -5.546 -9.674 1.00 0.00 C ATOM 1329 O ALA A 81 3.264 -4.578 -10.249 1.00 0.00 O ATOM 1330 CB ALA A 81 1.761 -6.782 -8.852 1.00 0.00 C ATOM 0 H ALA A 81 3.884 -7.935 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 81 2.831 -7.184 -10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.130 -6.018 -9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.244 -7.741 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.973 -6.511 -7.818 1.00 0.00 H new ATOM 1336 N VAL A 82 4.956 -5.469 -9.071 1.00 0.00 N ATOM 1337 CA VAL A 82 5.711 -4.222 -9.060 1.00 0.00 C ATOM 1338 C VAL A 82 7.175 -4.438 -9.317 1.00 0.00 C ATOM 1339 O VAL A 82 7.671 -5.564 -9.315 1.00 0.00 O ATOM 1340 CB VAL A 82 5.594 -3.436 -7.729 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.191 -2.929 -7.497 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.062 -4.286 -6.563 1.00 0.00 C ATOM 0 H VAL A 82 5.407 -6.246 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 82 5.260 -3.640 -9.864 1.00 0.00 H new ATOM 0 HB VAL A 82 6.244 -2.564 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.152 -2.384 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.905 -2.264 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.501 -3.772 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.972 -3.716 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.447 -5.184 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.103 -4.570 -6.714 1.00 0.00 H new ATOM 1352 N GLU A 83 7.838 -3.350 -9.561 1.00 0.00 N ATOM 1353 CA GLU A 83 9.269 -3.282 -9.695 1.00 0.00 C ATOM 1354 C GLU A 83 9.718 -2.065 -8.911 1.00 0.00 C ATOM 1355 O GLU A 83 9.314 -0.956 -9.234 1.00 0.00 O ATOM 1356 CB GLU A 83 9.655 -3.124 -11.164 1.00 0.00 C ATOM 1357 CG GLU A 83 9.296 -4.321 -12.032 1.00 0.00 C ATOM 1358 CD GLU A 83 9.625 -4.113 -13.483 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.828 -4.005 -13.836 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.692 -4.088 -14.319 1.00 0.00 O ATOM 0 H GLU A 83 7.382 -2.445 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 83 9.741 -4.191 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.163 -2.238 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.729 -2.950 -11.230 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.827 -5.200 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.231 -4.528 -11.933 1.00 0.00 H new ATOM 1367 N ILE A 84 10.487 -2.249 -7.858 1.00 0.00 N ATOM 1368 CA ILE A 84 10.896 -1.101 -7.061 1.00 0.00 C ATOM 1369 C ILE A 84 12.018 -0.332 -7.728 1.00 0.00 C ATOM 1370 O ILE A 84 12.680 -0.837 -8.642 1.00 0.00 O ATOM 1371 CB ILE A 84 11.334 -1.431 -5.617 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.634 -2.227 -5.598 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.230 -2.176 -4.874 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.320 -2.164 -4.267 1.00 0.00 C ATOM 0 H ILE A 84 10.835 -3.152 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 84 9.990 -0.498 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 84 11.517 -0.488 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.424 -3.267 -5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.304 -1.844 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.560 -2.398 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.334 -1.556 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.005 -3.107 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.241 -2.746 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.556 -1.127 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.663 -2.573 -3.499 1.00 0.00 H new ATOM 1386 N ASP A 85 12.221 0.877 -7.287 1.00 0.00 N ATOM 1387 CA ASP A 85 13.322 1.685 -7.779 1.00 0.00 C ATOM 1388 C ASP A 85 14.460 1.533 -6.819 1.00 0.00 C ATOM 1389 O ASP A 85 14.313 1.847 -5.638 1.00 0.00 O ATOM 1390 CB ASP A 85 12.928 3.157 -7.885 1.00 0.00 C ATOM 1391 CG ASP A 85 14.008 4.021 -8.492 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.245 3.913 -9.716 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.622 4.845 -7.765 1.00 0.00 O ATOM 0 H ASP A 85 11.640 1.335 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 85 13.603 1.350 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.023 3.242 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.686 3.534 -6.891 1.00 0.00 H new ATOM 1398 N TYR A 86 15.559 1.023 -7.288 1.00 0.00 N ATOM 1399 CA TYR A 86 16.693 0.775 -6.434 1.00 0.00 C ATOM 1400 C TYR A 86 17.532 2.013 -6.300 1.00 0.00 C ATOM 1401 O TYR A 86 17.505 2.904 -7.158 1.00 0.00 O ATOM 1402 CB TYR A 86 17.567 -0.353 -6.967 1.00 0.00 C ATOM 1403 CG TYR A 86 16.914 -1.707 -7.045 1.00 0.00 C ATOM 1404 CD1 TYR A 86 16.141 -2.059 -8.133 1.00 0.00 C ATOM 1405 CD2 TYR A 86 17.107 -2.644 -6.048 1.00 0.00 C ATOM 1406 CE1 TYR A 86 15.570 -3.296 -8.225 1.00 0.00 C ATOM 1407 CE2 TYR A 86 16.545 -3.894 -6.138 1.00 0.00 C ATOM 1408 CZ TYR A 86 15.778 -4.214 -7.231 1.00 0.00 C ATOM 1409 OH TYR A 86 15.229 -5.471 -7.347 1.00 0.00 O ATOM 0 H TYR A 86 15.700 0.767 -8.265 1.00 0.00 H new ATOM 0 HA TYR A 86 16.299 0.483 -5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.913 -0.079 -7.964 1.00 0.00 H new ATOM 0 HB3 TYR A 86 18.451 -0.433 -6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.985 -1.343 -8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.707 -2.390 -5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.957 -3.549 -9.078 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.705 -4.620 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 86 15.468 -6.006 -6.562 1.00 0.00 H new ATOM 1419 N ASP A 87 18.260 2.079 -5.237 1.00 0.00 N ATOM 1420 CA ASP A 87 19.150 3.176 -4.982 1.00 0.00 C ATOM 1421 C ASP A 87 20.512 2.612 -4.647 1.00 0.00 C ATOM 1422 O ASP A 87 20.662 1.867 -3.674 1.00 0.00 O ATOM 1423 CB ASP A 87 18.618 4.054 -3.851 1.00 0.00 C ATOM 1424 CG ASP A 87 19.486 5.256 -3.598 1.00 0.00 C ATOM 1425 OD1 ASP A 87 19.552 6.144 -4.461 1.00 0.00 O ATOM 1426 OD2 ASP A 87 20.111 5.340 -2.532 1.00 0.00 O ATOM 0 H ASP A 87 18.258 1.366 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 87 19.226 3.810 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.608 4.384 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 87 18.547 3.462 -2.938 1.00 0.00 H new ATOM 1431 N SER A 88 21.478 2.922 -5.456 1.00 0.00 N ATOM 1432 CA SER A 88 22.794 2.372 -5.310 1.00 0.00 C ATOM 1433 C SER A 88 23.600 3.197 -4.311 1.00 0.00 C ATOM 1434 O SER A 88 23.472 4.429 -4.250 1.00 0.00 O ATOM 1435 CB SER A 88 23.478 2.349 -6.679 1.00 0.00 C ATOM 1436 OG SER A 88 22.640 1.702 -7.651 1.00 0.00 O ATOM 0 H SER A 88 21.377 3.566 -6.240 1.00 0.00 H new ATOM 0 HA SER A 88 22.730 1.353 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 88 23.697 3.368 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.431 1.826 -6.607 1.00 0.00 H new ATOM 0 HG SER A 88 23.091 1.697 -8.521 1.00 0.00 H new ATOM 1442 N LEU A 89 24.393 2.541 -3.523 1.00 0.00 N ATOM 1443 CA LEU A 89 25.196 3.202 -2.534 1.00 0.00 C ATOM 1444 C LEU A 89 26.586 3.486 -3.069 1.00 0.00 C ATOM 1445 O LEU A 89 27.515 2.711 -2.858 1.00 0.00 O ATOM 1446 CB LEU A 89 25.299 2.401 -1.211 1.00 0.00 C ATOM 1447 CG LEU A 89 24.027 2.219 -0.355 1.00 0.00 C ATOM 1448 CD1 LEU A 89 23.388 3.548 -0.023 1.00 0.00 C ATOM 1449 CD2 LEU A 89 23.032 1.264 -0.994 1.00 0.00 C ATOM 0 H LEU A 89 24.504 1.527 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 89 24.692 4.142 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.679 1.409 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 89 26.050 2.886 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 89 24.342 1.761 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.495 3.382 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 89 24.094 4.162 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.113 4.060 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 89 22.155 1.170 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 89 22.730 1.651 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 89 23.496 0.286 -1.120 1.00 0.00 H new ATOM 1461 N LYS A 90 26.729 4.585 -3.777 1.00 0.00 N ATOM 1462 CA LYS A 90 28.023 4.971 -4.303 1.00 0.00 C ATOM 1463 C LYS A 90 28.811 5.682 -3.215 1.00 0.00 C ATOM 1464 O LYS A 90 30.014 5.841 -3.309 1.00 0.00 O ATOM 1465 CB LYS A 90 27.913 5.876 -5.543 1.00 0.00 C ATOM 1466 CG LYS A 90 27.204 7.206 -5.301 1.00 0.00 C ATOM 1467 CD LYS A 90 27.432 8.186 -6.445 1.00 0.00 C ATOM 1468 CE LYS A 90 26.882 7.690 -7.775 1.00 0.00 C ATOM 1469 NZ LYS A 90 25.411 7.619 -7.784 1.00 0.00 N ATOM 0 H LYS A 90 25.969 5.226 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 90 28.536 4.062 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 90 28.916 6.078 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 90 27.382 5.334 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 90 26.135 7.031 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 90 27.563 7.645 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 90 26.964 9.139 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 90 28.501 8.373 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 90 27.216 8.353 -8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 90 27.292 6.703 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 25.083 7.325 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 25.092 6.928 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.017 8.554 -7.557 1.00 0.00 H new ATOM 1483 N LEU A 91 28.114 6.117 -2.187 1.00 0.00 N ATOM 1484 CA LEU A 91 28.742 6.785 -1.062 1.00 0.00 C ATOM 1485 C LEU A 91 29.051 5.793 0.055 1.00 0.00 C ATOM 1486 O LEU A 91 29.473 6.176 1.151 1.00 0.00 O ATOM 1487 CB LEU A 91 27.860 7.925 -0.541 1.00 0.00 C ATOM 1488 CG LEU A 91 27.573 9.059 -1.534 1.00 0.00 C ATOM 1489 CD1 LEU A 91 26.696 10.122 -0.894 1.00 0.00 C ATOM 1490 CD2 LEU A 91 28.871 9.675 -2.043 1.00 0.00 C ATOM 0 H LEU A 91 27.102 6.020 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 91 29.683 7.213 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 91 26.909 7.503 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 91 28.336 8.353 0.341 1.00 0.00 H new ATOM 0 HG LEU A 91 27.038 8.637 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 91 26.504 10.917 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 91 25.751 9.676 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 91 27.203 10.536 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 91 28.642 10.477 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 91 29.436 10.079 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 91 29.464 8.911 -2.545 1.00 0.00 H new ATOM 1502 N LYS A 92 28.864 4.520 -0.224 1.00 0.00 N ATOM 1503 CA LYS A 92 29.149 3.484 0.743 1.00 0.00 C ATOM 1504 C LYS A 92 30.072 2.457 0.122 1.00 0.00 C ATOM 1505 O LYS A 92 29.621 1.618 -0.658 1.00 0.00 O ATOM 1506 CB LYS A 92 27.861 2.794 1.240 1.00 0.00 C ATOM 1507 CG LYS A 92 28.103 1.754 2.342 1.00 0.00 C ATOM 1508 CD LYS A 92 26.846 0.957 2.687 1.00 0.00 C ATOM 1509 CE LYS A 92 26.375 0.119 1.506 1.00 0.00 C ATOM 1510 NZ LYS A 92 25.201 -0.721 1.831 1.00 0.00 N ATOM 0 H LYS A 92 28.514 4.178 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 92 29.629 3.949 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 92 27.174 3.553 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 92 27.371 2.309 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 92 28.887 1.068 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 92 28.466 2.258 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 92 27.048 0.307 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 92 26.052 1.640 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 92 26.125 0.779 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 92 27.192 -0.520 1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.924 -1.269 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.443 -1.372 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.410 -0.113 2.124 1.00 0.00 H new ATOM 1524 N LYS A 93 31.357 2.578 0.401 1.00 0.00 N ATOM 1525 CA LYS A 93 32.355 1.607 -0.031 1.00 0.00 C ATOM 1526 C LYS A 93 33.695 1.854 0.677 1.00 0.00 C ATOM 1527 O LYS A 93 34.646 2.399 0.119 1.00 0.00 O ATOM 1528 CB LYS A 93 32.510 1.473 -1.605 1.00 0.00 C ATOM 1529 CG LYS A 93 33.187 2.632 -2.372 1.00 0.00 C ATOM 1530 CD LYS A 93 32.488 3.966 -2.217 1.00 0.00 C ATOM 1531 CE LYS A 93 33.239 5.045 -2.971 1.00 0.00 C ATOM 1532 NZ LYS A 93 32.600 6.363 -2.842 1.00 0.00 N ATOM 0 H LYS A 93 31.743 3.356 0.936 1.00 0.00 H new ATOM 0 HA LYS A 93 31.979 0.631 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 93 33.076 0.564 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 93 31.515 1.330 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 93 34.216 2.731 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 93 33.230 2.377 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 93 31.467 3.895 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 93 32.422 4.229 -1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 93 34.262 5.101 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 93 33.299 4.774 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 33.193 7.083 -3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 31.665 6.342 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 32.489 6.598 -1.835 1.00 0.00 H new ATOM 1546 N ASP A 94 33.749 1.511 1.935 1.00 0.00 N ATOM 1547 CA ASP A 94 34.979 1.677 2.701 1.00 0.00 C ATOM 1548 C ASP A 94 35.911 0.510 2.435 1.00 0.00 C ATOM 1549 O ASP A 94 35.950 -0.463 3.191 1.00 0.00 O ATOM 1550 CB ASP A 94 34.705 1.813 4.213 1.00 0.00 C ATOM 1551 CG ASP A 94 35.957 2.098 5.027 1.00 0.00 C ATOM 1552 OD1 ASP A 94 36.324 3.284 5.167 1.00 0.00 O ATOM 1553 OD2 ASP A 94 36.590 1.151 5.560 1.00 0.00 O ATOM 0 H ASP A 94 32.968 1.116 2.459 1.00 0.00 H new ATOM 0 HA ASP A 94 35.453 2.603 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 94 33.985 2.615 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.245 0.894 4.576 1.00 0.00 H new ATOM 1558 N LEU A 95 36.548 0.548 1.296 1.00 0.00 N ATOM 1559 CA LEU A 95 37.509 -0.464 0.920 1.00 0.00 C ATOM 1560 C LEU A 95 38.740 0.207 0.345 1.00 0.00 C ATOM 1561 O LEU A 95 38.933 0.238 -0.873 1.00 0.00 O ATOM 1562 CB LEU A 95 36.955 -1.517 -0.097 1.00 0.00 C ATOM 1563 CG LEU A 95 35.760 -2.411 0.326 1.00 0.00 C ATOM 1564 CD1 LEU A 95 34.435 -1.666 0.295 1.00 0.00 C ATOM 1565 CD2 LEU A 95 35.685 -3.643 -0.547 1.00 0.00 C ATOM 0 H LEU A 95 36.418 1.281 0.599 1.00 0.00 H new ATOM 0 HA LEU A 95 37.752 -1.018 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 95 36.662 -0.981 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 95 37.779 -2.176 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 95 35.939 -2.709 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 95 33.633 -2.338 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 95 34.478 -0.819 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 95 34.243 -1.307 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 95 34.841 -4.259 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 95 35.553 -3.345 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 95 36.607 -4.216 -0.448 1.00 0.00 H new ATOM 1577 N GLU A 96 39.498 0.831 1.202 1.00 0.00 N ATOM 1578 CA GLU A 96 40.716 1.503 0.816 1.00 0.00 C ATOM 1579 C GLU A 96 41.883 0.871 1.533 1.00 0.00 C ATOM 1580 O GLU A 96 42.217 1.309 2.646 1.00 0.00 O ATOM 1581 CB GLU A 96 40.648 2.996 1.154 1.00 0.00 C ATOM 1582 CG GLU A 96 39.646 3.791 0.343 1.00 0.00 C ATOM 1583 CD GLU A 96 39.969 3.792 -1.126 1.00 0.00 C ATOM 1584 OE1 GLU A 96 41.048 4.282 -1.516 1.00 0.00 O ATOM 1585 OE2 GLU A 96 39.147 3.318 -1.925 1.00 0.00 O ATOM 1586 OXT GLU A 96 42.467 -0.085 1.008 1.00 0.00 O ATOM 0 H GLU A 96 39.290 0.891 2.199 1.00 0.00 H new ATOM 0 HA GLU A 96 40.844 1.402 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 96 40.404 3.103 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 96 41.637 3.431 1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 96 38.650 3.375 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 96 39.621 4.818 0.707 1.00 0.00 H new TER 1593 GLU A 96