USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 592 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 32 GLN : amide:sc= -1.35 K(o=-2.6,f=-1.1) USER MOD Set 1.2: A 48 GLN : amide:sc= -1.25 K(o=-2.6,f=-1.8) USER MOD Set 2.1: A 14 CYS SG : rot 19:sc= 0.795 USER MOD Set 2.2: A 17 CYS SG : rot 93:sc= 0.44 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 162:sc= -0.689 (180deg=-1.49) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.03) USER MOD Single : A 12 MET CE :methyl 139:sc= 0 (180deg=-0.137) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.012) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 86:sc= 1.32 USER MOD Single : A 40 ASN : amide:sc= 0.501 K(o=0.5,f=-0.063) USER MOD Single : A 41 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.6) USER MOD Single : A 44 THR OG1 : rot -21:sc= 0.369 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0309 USER MOD Single : A 50 HIS : no HE2:sc= 0.967 K(o=0.97,f=-2.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 171:sc= -1.16 (180deg=-1.32) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 1.19 (180deg=0.885) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 1.04 K(o=1,f=-1.2) USER MOD Single : A 64 MET CE :methyl 171:sc= -0.177 (180deg=-0.324) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00656) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 1.160 1.326 13.755 1.00 0.00 N ATOM 11 CA GLU A 2 1.897 1.028 12.521 1.00 0.00 C ATOM 12 C GLU A 2 1.706 -0.421 12.028 1.00 0.00 C ATOM 13 O GLU A 2 2.580 -1.267 12.220 1.00 0.00 O ATOM 14 CB GLU A 2 3.381 1.397 12.736 1.00 0.00 C ATOM 15 CG GLU A 2 4.203 1.342 11.437 1.00 0.00 C ATOM 16 CD GLU A 2 5.683 1.685 11.603 1.00 0.00 C ATOM 17 OE1 GLU A 2 6.092 1.942 12.756 1.00 0.00 O ATOM 18 OE2 GLU A 2 6.390 1.660 10.567 1.00 0.00 O ATOM 0 HA GLU A 2 1.488 1.636 11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.444 2.400 13.158 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.818 0.716 13.466 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.121 0.341 11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.763 2.030 10.715 1.00 0.00 H new ATOM 25 N VAL A 3 0.576 -0.728 11.379 1.00 0.00 N ATOM 26 CA VAL A 3 0.304 -2.037 10.863 1.00 0.00 C ATOM 27 C VAL A 3 0.785 -2.103 9.420 1.00 0.00 C ATOM 28 O VAL A 3 0.468 -1.232 8.608 1.00 0.00 O ATOM 29 CB VAL A 3 -1.184 -2.339 11.033 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.167 -1.452 10.257 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.427 -3.758 10.586 1.00 0.00 C ATOM 0 H VAL A 3 -0.170 -0.054 11.206 1.00 0.00 H new ATOM 0 HA VAL A 3 0.842 -2.810 11.411 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.383 -2.148 12.088 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.188 -1.772 10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.042 -0.414 10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.970 -1.540 9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.484 -3.999 10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.139 -3.864 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.833 -4.438 11.197 1.00 0.00 H new ATOM 41 N VAL A 4 1.550 -3.154 9.134 1.00 0.00 N ATOM 42 CA VAL A 4 2.041 -3.489 7.808 1.00 0.00 C ATOM 43 C VAL A 4 0.941 -4.250 7.073 1.00 0.00 C ATOM 44 O VAL A 4 0.454 -5.265 7.575 1.00 0.00 O ATOM 45 CB VAL A 4 3.386 -4.250 7.901 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.335 -5.684 7.372 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.458 -3.520 7.093 1.00 0.00 C ATOM 0 H VAL A 4 1.853 -3.817 9.848 1.00 0.00 H new ATOM 0 HA VAL A 4 2.265 -2.593 7.229 1.00 0.00 H new ATOM 0 HB VAL A 4 3.615 -4.286 8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.318 -6.145 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.605 -6.257 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.046 -5.674 6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.400 -4.063 7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.151 -3.463 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.589 -2.513 7.488 1.00 0.00 H new ATOM 57 N LEU A 5 0.557 -3.756 5.894 1.00 0.00 N ATOM 58 CA LEU A 5 -0.345 -4.427 4.977 1.00 0.00 C ATOM 59 C LEU A 5 0.453 -4.726 3.722 1.00 0.00 C ATOM 60 O LEU A 5 1.085 -3.822 3.175 1.00 0.00 O ATOM 61 CB LEU A 5 -1.533 -3.513 4.654 1.00 0.00 C ATOM 62 CG LEU A 5 -2.780 -3.800 5.497 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.518 -5.038 4.986 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.459 -3.922 6.988 1.00 0.00 C ATOM 0 H LEU A 5 0.878 -2.852 5.548 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.743 -5.345 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.234 -2.476 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.786 -3.620 3.599 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.442 -2.941 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.398 -5.217 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.826 -4.877 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.857 -5.903 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.375 -4.125 7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.753 -4.738 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.020 -2.990 7.343 1.00 0.00 H new ATOM 76 N LYS A 6 0.439 -5.982 3.275 1.00 0.00 N ATOM 77 CA LYS A 6 1.141 -6.391 2.078 1.00 0.00 C ATOM 78 C LYS A 6 0.095 -6.783 1.050 1.00 0.00 C ATOM 79 O LYS A 6 -0.784 -7.615 1.302 1.00 0.00 O ATOM 80 CB LYS A 6 2.135 -7.495 2.403 1.00 0.00 C ATOM 81 CG LYS A 6 3.057 -7.889 1.237 1.00 0.00 C ATOM 82 CD LYS A 6 2.330 -8.805 0.242 1.00 0.00 C ATOM 83 CE LYS A 6 3.296 -9.626 -0.622 1.00 0.00 C ATOM 84 NZ LYS A 6 2.702 -10.888 -1.100 1.00 0.00 N ATOM 0 H LYS A 6 -0.063 -6.739 3.740 1.00 0.00 H new ATOM 0 HA LYS A 6 1.741 -5.583 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.751 -7.176 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.584 -8.378 2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.403 -6.992 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.941 -8.396 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.674 -9.482 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.695 -8.200 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.607 -9.029 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.194 -9.848 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.397 -11.402 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.429 -11.474 -0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.861 -10.680 -1.675 1.00 0.00 H new ATOM 98 N MET A 7 0.224 -6.153 -0.109 1.00 0.00 N ATOM 99 CA MET A 7 -0.579 -6.362 -1.287 1.00 0.00 C ATOM 100 C MET A 7 0.316 -6.961 -2.363 1.00 0.00 C ATOM 101 O MET A 7 1.373 -6.409 -2.652 1.00 0.00 O ATOM 102 CB MET A 7 -1.214 -5.046 -1.750 1.00 0.00 C ATOM 103 CG MET A 7 -1.435 -4.019 -0.635 1.00 0.00 C ATOM 104 SD MET A 7 -2.364 -2.553 -1.138 1.00 0.00 S ATOM 105 CE MET A 7 -2.732 -1.883 0.494 1.00 0.00 C ATOM 0 H MET A 7 0.939 -5.440 -0.252 1.00 0.00 H new ATOM 0 HA MET A 7 -1.399 -7.047 -1.072 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.579 -4.601 -2.516 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.173 -5.266 -2.219 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.962 -4.503 0.188 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.465 -3.704 -0.251 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.014 -0.834 0.402 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.555 -2.442 0.940 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.850 -1.967 1.129 1.00 0.00 H new ATOM 115 N LYS A 8 -0.062 -8.101 -2.942 1.00 0.00 N ATOM 116 CA LYS A 8 0.573 -8.516 -4.187 1.00 0.00 C ATOM 117 C LYS A 8 -0.002 -7.622 -5.283 1.00 0.00 C ATOM 118 O LYS A 8 -1.221 -7.541 -5.391 1.00 0.00 O ATOM 119 CB LYS A 8 0.348 -10.014 -4.424 1.00 0.00 C ATOM 120 CG LYS A 8 1.005 -10.490 -5.725 1.00 0.00 C ATOM 121 CD LYS A 8 0.130 -10.229 -6.961 1.00 0.00 C ATOM 122 CE LYS A 8 -0.282 -11.519 -7.684 1.00 0.00 C ATOM 123 NZ LYS A 8 0.848 -12.137 -8.408 1.00 0.00 N ATOM 0 H LYS A 8 -0.779 -8.732 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 8 1.656 -8.395 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.753 -10.580 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.722 -10.219 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.963 -9.985 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.215 -11.557 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.765 -9.686 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.672 -9.587 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.679 -12.229 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.085 -11.299 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.546 -13.047 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.157 -11.505 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.638 -12.294 -7.750 1.00 0.00 H new ATOM 137 N VAL A 9 0.841 -6.948 -6.063 1.00 0.00 N ATOM 138 CA VAL A 9 0.404 -6.056 -7.132 1.00 0.00 C ATOM 139 C VAL A 9 0.877 -6.636 -8.456 1.00 0.00 C ATOM 140 O VAL A 9 1.849 -7.382 -8.472 1.00 0.00 O ATOM 141 CB VAL A 9 0.948 -4.634 -6.921 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.141 -3.903 -5.846 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.437 -4.618 -6.558 1.00 0.00 C ATOM 0 H VAL A 9 1.855 -7.007 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.683 -5.980 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 9 0.841 -4.115 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.541 -2.898 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.902 -3.840 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.209 -4.450 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.767 -3.588 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.592 -5.175 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.012 -5.079 -7.361 1.00 0.00 H new ATOM 153 N GLU A 10 0.186 -6.304 -9.547 1.00 0.00 N ATOM 154 CA GLU A 10 0.520 -6.780 -10.883 1.00 0.00 C ATOM 155 C GLU A 10 0.820 -5.592 -11.793 1.00 0.00 C ATOM 156 O GLU A 10 0.298 -4.497 -11.586 1.00 0.00 O ATOM 157 CB GLU A 10 -0.644 -7.605 -11.447 1.00 0.00 C ATOM 158 CG GLU A 10 -0.883 -8.902 -10.663 1.00 0.00 C ATOM 159 CD GLU A 10 0.152 -9.964 -11.002 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.033 -10.551 -12.095 1.00 0.00 O ATOM 161 OE2 GLU A 10 1.010 -10.229 -10.134 1.00 0.00 O ATOM 0 H GLU A 10 -0.629 -5.691 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 10 1.405 -7.414 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.552 -7.003 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.441 -7.848 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.852 -8.692 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.880 -9.282 -10.884 1.00 0.00 H new ATOM 168 N GLY A 11 1.638 -5.826 -12.823 1.00 0.00 N ATOM 169 CA GLY A 11 1.831 -4.883 -13.916 1.00 0.00 C ATOM 170 C GLY A 11 2.523 -3.598 -13.470 1.00 0.00 C ATOM 171 O GLY A 11 2.096 -2.503 -13.829 1.00 0.00 O ATOM 0 H GLY A 11 2.186 -6.681 -12.918 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.423 -5.357 -14.699 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.863 -4.637 -14.353 1.00 0.00 H new ATOM 175 N MET A 12 3.617 -3.741 -12.721 1.00 0.00 N ATOM 176 CA MET A 12 4.501 -2.652 -12.337 1.00 0.00 C ATOM 177 C MET A 12 5.939 -3.177 -12.340 1.00 0.00 C ATOM 178 O MET A 12 6.282 -4.010 -11.505 1.00 0.00 O ATOM 179 CB MET A 12 4.106 -2.120 -10.954 1.00 0.00 C ATOM 180 CG MET A 12 2.790 -1.329 -10.987 1.00 0.00 C ATOM 181 SD MET A 12 2.521 -0.263 -9.550 1.00 0.00 S ATOM 182 CE MET A 12 2.085 -1.486 -8.303 1.00 0.00 C ATOM 0 H MET A 12 3.917 -4.645 -12.357 1.00 0.00 H new ATOM 0 HA MET A 12 4.419 -1.825 -13.043 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.008 -2.955 -10.261 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.902 -1.481 -10.572 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.772 -0.715 -11.888 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.960 -2.031 -11.063 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.565 -1.230 -7.359 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.003 -1.499 -8.168 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.422 -2.471 -8.626 1.00 0.00 H new ATOM 192 N THR A 13 6.759 -2.738 -13.302 1.00 0.00 N ATOM 193 CA THR A 13 8.193 -3.051 -13.401 1.00 0.00 C ATOM 194 C THR A 13 8.947 -1.936 -14.147 1.00 0.00 C ATOM 195 O THR A 13 9.999 -2.165 -14.739 1.00 0.00 O ATOM 196 CB THR A 13 8.425 -4.449 -14.024 1.00 0.00 C ATOM 197 OG1 THR A 13 7.336 -4.826 -14.845 1.00 0.00 O ATOM 198 CG2 THR A 13 8.666 -5.536 -12.969 1.00 0.00 C ATOM 0 H THR A 13 6.434 -2.136 -14.058 1.00 0.00 H new ATOM 0 HA THR A 13 8.605 -3.093 -12.393 1.00 0.00 H new ATOM 0 HB THR A 13 9.328 -4.364 -14.628 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.507 -5.712 -15.228 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.822 -6.495 -13.464 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.548 -5.283 -12.381 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.799 -5.604 -12.312 1.00 0.00 H new ATOM 206 N CYS A 14 8.409 -0.715 -14.097 1.00 0.00 N ATOM 207 CA CYS A 14 8.879 0.451 -14.841 1.00 0.00 C ATOM 208 C CYS A 14 9.466 1.525 -13.919 1.00 0.00 C ATOM 209 O CYS A 14 9.932 2.554 -14.403 1.00 0.00 O ATOM 210 CB CYS A 14 7.686 1.031 -15.608 1.00 0.00 C ATOM 211 SG CYS A 14 6.249 1.294 -14.536 1.00 0.00 S ATOM 0 H CYS A 14 7.600 -0.505 -13.512 1.00 0.00 H new ATOM 0 HA CYS A 14 9.674 0.139 -15.518 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.975 1.978 -16.065 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.414 0.355 -16.419 1.00 0.00 H new ATOM 0 HG CYS A 14 6.633 1.319 -13.294 1.00 0.00 H new ATOM 216 N HIS A 15 9.391 1.334 -12.598 1.00 0.00 N ATOM 217 CA HIS A 15 9.798 2.296 -11.577 1.00 0.00 C ATOM 218 C HIS A 15 8.811 3.471 -11.480 1.00 0.00 C ATOM 219 O HIS A 15 8.401 3.849 -10.383 1.00 0.00 O ATOM 220 CB HIS A 15 11.252 2.757 -11.785 1.00 0.00 C ATOM 221 CG HIS A 15 12.014 3.095 -10.525 1.00 0.00 C ATOM 222 ND1 HIS A 15 13.385 3.188 -10.438 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.513 3.286 -9.262 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.698 3.434 -9.154 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.590 3.505 -8.401 1.00 0.00 N ATOM 0 H HIS A 15 9.030 0.468 -12.198 1.00 0.00 H new ATOM 0 HA HIS A 15 9.768 1.789 -10.612 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.791 1.972 -12.315 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.248 3.634 -12.432 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.470 3.270 -8.983 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.704 3.558 -8.780 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.544 3.684 -7.398 1.00 0.00 H new ATOM 233 N SER A 16 8.420 4.056 -12.615 1.00 0.00 N ATOM 234 CA SER A 16 7.462 5.150 -12.669 1.00 0.00 C ATOM 235 C SER A 16 6.197 4.851 -11.866 1.00 0.00 C ATOM 236 O SER A 16 5.846 5.642 -10.997 1.00 0.00 O ATOM 237 CB SER A 16 7.135 5.484 -14.127 1.00 0.00 C ATOM 238 OG SER A 16 8.317 5.924 -14.771 1.00 0.00 O ATOM 0 H SER A 16 8.768 3.775 -13.532 1.00 0.00 H new ATOM 0 HA SER A 16 7.920 6.022 -12.203 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.733 4.607 -14.634 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.369 6.258 -14.174 1.00 0.00 H new ATOM 0 HG SER A 16 8.119 6.139 -15.706 1.00 0.00 H new ATOM 244 N CYS A 17 5.509 3.743 -12.146 1.00 0.00 N ATOM 245 CA CYS A 17 4.253 3.416 -11.490 1.00 0.00 C ATOM 246 C CYS A 17 4.441 3.240 -9.981 1.00 0.00 C ATOM 247 O CYS A 17 3.769 3.914 -9.200 1.00 0.00 O ATOM 248 CB CYS A 17 3.605 2.190 -12.141 1.00 0.00 C ATOM 249 SG CYS A 17 3.015 2.461 -13.837 1.00 0.00 S ATOM 0 H CYS A 17 5.810 3.052 -12.833 1.00 0.00 H new ATOM 0 HA CYS A 17 3.569 4.254 -11.623 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.327 1.373 -12.147 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.765 1.868 -11.525 1.00 0.00 H new ATOM 0 HG CYS A 17 3.946 2.124 -14.679 1.00 0.00 H new ATOM 254 N THR A 18 5.363 2.365 -9.564 1.00 0.00 N ATOM 255 CA THR A 18 5.648 2.135 -8.153 1.00 0.00 C ATOM 256 C THR A 18 5.955 3.460 -7.457 1.00 0.00 C ATOM 257 O THR A 18 5.308 3.798 -6.470 1.00 0.00 O ATOM 258 CB THR A 18 6.809 1.144 -7.985 1.00 0.00 C ATOM 259 OG1 THR A 18 7.857 1.464 -8.877 1.00 0.00 O ATOM 260 CG2 THR A 18 6.387 -0.294 -8.279 1.00 0.00 C ATOM 0 H THR A 18 5.929 1.800 -10.198 1.00 0.00 H new ATOM 0 HA THR A 18 4.766 1.695 -7.686 1.00 0.00 H new ATOM 0 HB THR A 18 7.132 1.222 -6.947 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.592 0.827 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.241 -0.958 -8.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.591 -0.587 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.027 -0.365 -9.306 1.00 0.00 H new ATOM 268 N SER A 19 6.923 4.216 -7.978 1.00 0.00 N ATOM 269 CA SER A 19 7.330 5.492 -7.406 1.00 0.00 C ATOM 270 C SER A 19 6.160 6.482 -7.369 1.00 0.00 C ATOM 271 O SER A 19 5.943 7.142 -6.357 1.00 0.00 O ATOM 272 CB SER A 19 8.531 6.035 -8.189 1.00 0.00 C ATOM 273 OG SER A 19 9.062 7.187 -7.566 1.00 0.00 O ATOM 0 H SER A 19 7.447 3.955 -8.813 1.00 0.00 H new ATOM 0 HA SER A 19 7.635 5.346 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.301 5.267 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.227 6.275 -9.208 1.00 0.00 H new ATOM 0 HG SER A 19 9.828 7.515 -8.082 1.00 0.00 H new ATOM 279 N THR A 20 5.376 6.581 -8.448 1.00 0.00 N ATOM 280 CA THR A 20 4.215 7.461 -8.487 1.00 0.00 C ATOM 281 C THR A 20 3.221 7.072 -7.393 1.00 0.00 C ATOM 282 O THR A 20 2.726 7.942 -6.675 1.00 0.00 O ATOM 283 CB THR A 20 3.560 7.454 -9.876 1.00 0.00 C ATOM 284 OG1 THR A 20 4.474 7.966 -10.820 1.00 0.00 O ATOM 285 CG2 THR A 20 2.308 8.337 -9.923 1.00 0.00 C ATOM 0 H THR A 20 5.531 6.056 -9.309 1.00 0.00 H new ATOM 0 HA THR A 20 4.546 8.482 -8.295 1.00 0.00 H new ATOM 0 HB THR A 20 3.279 6.425 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.120 7.270 -11.061 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.876 8.303 -10.923 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.578 7.972 -9.200 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.578 9.364 -9.679 1.00 0.00 H new ATOM 293 N ILE A 21 2.920 5.779 -7.252 1.00 0.00 N ATOM 294 CA ILE A 21 2.059 5.291 -6.201 1.00 0.00 C ATOM 295 C ILE A 21 2.660 5.672 -4.848 1.00 0.00 C ATOM 296 O ILE A 21 1.960 6.248 -4.024 1.00 0.00 O ATOM 297 CB ILE A 21 1.871 3.779 -6.404 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.683 3.496 -7.322 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.618 3.070 -5.090 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.800 2.110 -7.957 1.00 0.00 C ATOM 0 H ILE A 21 3.273 5.049 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 21 1.068 5.744 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 21 2.793 3.409 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.245 3.562 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.633 4.255 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.490 2.003 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.466 3.226 -4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.716 3.471 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.058 1.933 -8.606 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.716 2.055 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.825 1.352 -7.174 1.00 0.00 H new ATOM 312 N GLU A 22 3.941 5.377 -4.614 1.00 0.00 N ATOM 313 CA GLU A 22 4.631 5.734 -3.386 1.00 0.00 C ATOM 314 C GLU A 22 4.443 7.220 -3.068 1.00 0.00 C ATOM 315 O GLU A 22 4.021 7.572 -1.970 1.00 0.00 O ATOM 316 CB GLU A 22 6.110 5.304 -3.463 1.00 0.00 C ATOM 317 CG GLU A 22 6.369 4.264 -2.366 1.00 0.00 C ATOM 318 CD GLU A 22 7.777 3.679 -2.362 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.673 4.311 -2.960 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.932 2.609 -1.732 1.00 0.00 O ATOM 0 H GLU A 22 4.528 4.879 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 22 4.191 5.191 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.332 4.884 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.763 6.166 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.179 4.724 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.653 3.450 -2.479 1.00 0.00 H new ATOM 327 N GLY A 23 4.693 8.087 -4.049 1.00 0.00 N ATOM 328 CA GLY A 23 4.467 9.517 -3.937 1.00 0.00 C ATOM 329 C GLY A 23 3.023 9.832 -3.545 1.00 0.00 C ATOM 330 O GLY A 23 2.783 10.566 -2.587 1.00 0.00 O ATOM 0 H GLY A 23 5.064 7.805 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.146 9.936 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.699 9.998 -4.887 1.00 0.00 H new ATOM 334 N LYS A 24 2.051 9.305 -4.297 1.00 0.00 N ATOM 335 CA LYS A 24 0.651 9.641 -4.086 1.00 0.00 C ATOM 336 C LYS A 24 0.189 9.150 -2.714 1.00 0.00 C ATOM 337 O LYS A 24 -0.312 9.913 -1.892 1.00 0.00 O ATOM 338 CB LYS A 24 -0.217 9.056 -5.215 1.00 0.00 C ATOM 339 CG LYS A 24 -1.437 9.947 -5.515 1.00 0.00 C ATOM 340 CD LYS A 24 -1.229 10.716 -6.831 1.00 0.00 C ATOM 341 CE LYS A 24 -2.513 11.446 -7.259 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.407 12.001 -8.626 1.00 0.00 N ATOM 0 H LYS A 24 2.215 8.644 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 24 0.539 10.725 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.385 8.947 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.555 8.058 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.335 9.334 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.592 10.650 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.421 11.437 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.923 10.024 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.355 10.755 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.723 12.252 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.294 12.484 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.620 12.680 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.233 11.230 -9.301 1.00 0.00 H new ATOM 356 N ILE A 25 0.350 7.854 -2.481 1.00 0.00 N ATOM 357 CA ILE A 25 -0.145 7.182 -1.295 1.00 0.00 C ATOM 358 C ILE A 25 0.634 7.639 -0.061 1.00 0.00 C ATOM 359 O ILE A 25 0.056 7.816 1.010 1.00 0.00 O ATOM 360 CB ILE A 25 -0.190 5.657 -1.489 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.959 5.226 -2.744 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.726 4.954 -0.234 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.447 5.519 -2.650 1.00 0.00 C ATOM 0 H ILE A 25 0.838 7.232 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.182 7.471 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 25 0.841 5.340 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.546 5.739 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.813 4.158 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.746 3.877 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.078 5.178 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.735 5.307 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.941 5.193 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.870 4.984 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.599 6.590 -2.517 1.00 0.00 H new ATOM 375 N GLY A 26 1.929 7.915 -0.215 1.00 0.00 N ATOM 376 CA GLY A 26 2.739 8.537 0.820 1.00 0.00 C ATOM 377 C GLY A 26 2.117 9.829 1.357 1.00 0.00 C ATOM 378 O GLY A 26 2.356 10.187 2.507 1.00 0.00 O ATOM 0 H GLY A 26 2.445 7.710 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.874 7.834 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.729 8.754 0.420 1.00 0.00 H new ATOM 382 N LYS A 27 1.324 10.534 0.541 1.00 0.00 N ATOM 383 CA LYS A 27 0.693 11.786 0.909 1.00 0.00 C ATOM 384 C LYS A 27 -0.699 11.565 1.533 1.00 0.00 C ATOM 385 O LYS A 27 -1.368 12.543 1.865 1.00 0.00 O ATOM 386 CB LYS A 27 0.727 12.671 -0.350 1.00 0.00 C ATOM 387 CG LYS A 27 -0.039 13.987 -0.258 1.00 0.00 C ATOM 388 CD LYS A 27 0.371 14.894 -1.428 1.00 0.00 C ATOM 389 CE LYS A 27 -0.643 16.027 -1.633 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.270 16.903 -2.764 1.00 0.00 N ATOM 0 H LYS A 27 1.105 10.236 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 27 1.226 12.303 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.767 12.894 -0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.326 12.097 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.112 13.799 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.173 14.479 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.358 15.316 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.449 14.303 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.630 15.602 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.713 16.621 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.980 17.655 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.661 17.329 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.228 16.342 -3.639 1.00 0.00 H new ATOM 404 N LEU A 28 -1.156 10.321 1.741 1.00 0.00 N ATOM 405 CA LEU A 28 -2.390 10.079 2.473 1.00 0.00 C ATOM 406 C LEU A 28 -2.187 10.368 3.961 1.00 0.00 C ATOM 407 O LEU A 28 -1.151 10.034 4.536 1.00 0.00 O ATOM 408 CB LEU A 28 -2.838 8.628 2.331 1.00 0.00 C ATOM 409 CG LEU A 28 -3.232 8.153 0.924 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.378 7.153 1.054 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.643 9.251 -0.067 1.00 0.00 C ATOM 0 H LEU A 28 -0.687 9.477 1.412 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.151 10.739 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.032 7.988 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.690 8.470 2.992 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.328 7.715 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.671 6.805 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.054 6.304 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.229 7.635 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.899 8.799 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.507 9.789 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.815 9.946 -0.204 1.00 0.00 H new ATOM 423 N GLN A 29 -3.207 10.932 4.607 1.00 0.00 N ATOM 424 CA GLN A 29 -3.228 11.082 6.051 1.00 0.00 C ATOM 425 C GLN A 29 -3.592 9.738 6.685 1.00 0.00 C ATOM 426 O GLN A 29 -4.534 9.087 6.246 1.00 0.00 O ATOM 427 CB GLN A 29 -4.222 12.192 6.422 1.00 0.00 C ATOM 428 CG GLN A 29 -4.392 12.340 7.941 1.00 0.00 C ATOM 429 CD GLN A 29 -5.087 13.644 8.327 1.00 0.00 C ATOM 430 OE1 GLN A 29 -5.384 14.484 7.484 1.00 0.00 O ATOM 431 NE2 GLN A 29 -5.345 13.838 9.616 1.00 0.00 N ATOM 0 H GLN A 29 -4.038 11.295 4.140 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.249 11.373 6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.879 13.138 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.190 11.976 5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.969 11.498 8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.413 12.298 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.089 13.126 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.799 14.699 9.921 1.00 0.00 H new ATOM 440 N GLY A 30 -2.848 9.328 7.715 1.00 0.00 N ATOM 441 CA GLY A 30 -3.105 8.098 8.458 1.00 0.00 C ATOM 442 C GLY A 30 -2.070 7.022 8.162 1.00 0.00 C ATOM 443 O GLY A 30 -2.040 5.986 8.828 1.00 0.00 O ATOM 0 H GLY A 30 -2.041 9.849 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.107 8.314 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.098 7.724 8.207 1.00 0.00 H new ATOM 447 N VAL A 31 -1.212 7.274 7.175 1.00 0.00 N ATOM 448 CA VAL A 31 -0.119 6.396 6.822 1.00 0.00 C ATOM 449 C VAL A 31 1.084 6.686 7.723 1.00 0.00 C ATOM 450 O VAL A 31 1.264 7.810 8.188 1.00 0.00 O ATOM 451 CB VAL A 31 0.174 6.587 5.323 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.465 5.907 4.850 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.997 6.022 4.505 1.00 0.00 C ATOM 0 H VAL A 31 -1.265 8.110 6.594 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.370 5.347 6.983 1.00 0.00 H new ATOM 0 HB VAL A 31 0.301 7.659 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.602 6.087 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.314 6.316 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.399 4.834 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.796 6.154 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.114 4.960 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.913 6.550 4.769 1.00 0.00 H new ATOM 463 N GLN A 32 1.881 5.649 7.980 1.00 0.00 N ATOM 464 CA GLN A 32 3.122 5.701 8.740 1.00 0.00 C ATOM 465 C GLN A 32 4.306 5.527 7.793 1.00 0.00 C ATOM 466 O GLN A 32 5.274 6.281 7.857 1.00 0.00 O ATOM 467 CB GLN A 32 3.110 4.589 9.794 1.00 0.00 C ATOM 468 CG GLN A 32 2.354 4.996 11.056 1.00 0.00 C ATOM 469 CD GLN A 32 3.139 5.969 11.936 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.295 6.282 11.683 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.508 6.464 12.997 1.00 0.00 N ATOM 0 H GLN A 32 1.666 4.709 7.647 1.00 0.00 H new ATOM 0 HA GLN A 32 3.215 6.665 9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.652 3.695 9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.135 4.328 10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.406 5.454 10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.116 4.103 11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.545 6.191 13.191 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.988 7.117 13.617 1.00 0.00 H new ATOM 480 N ARG A 33 4.245 4.518 6.921 1.00 0.00 N ATOM 481 CA ARG A 33 5.325 4.182 6.014 1.00 0.00 C ATOM 482 C ARG A 33 4.720 3.409 4.857 1.00 0.00 C ATOM 483 O ARG A 33 3.543 3.065 4.861 1.00 0.00 O ATOM 484 CB ARG A 33 6.429 3.421 6.775 1.00 0.00 C ATOM 485 CG ARG A 33 7.792 3.489 6.070 1.00 0.00 C ATOM 486 CD ARG A 33 8.935 3.491 7.092 1.00 0.00 C ATOM 487 NE ARG A 33 8.927 2.285 7.936 1.00 0.00 N ATOM 488 CZ ARG A 33 9.904 1.962 8.799 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.903 2.825 9.021 1.00 0.00 N ATOM 490 NH2 ARG A 33 9.888 0.777 9.417 1.00 0.00 N ATOM 0 H ARG A 33 3.432 3.909 6.830 1.00 0.00 H new ATOM 0 HA ARG A 33 5.815 5.066 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.523 3.835 7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.134 2.378 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.901 2.638 5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.845 4.389 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.888 3.560 6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.854 4.375 7.724 1.00 0.00 H new ATOM 0 HE ARG A 33 8.129 1.655 7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.919 3.722 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.648 2.585 9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.133 0.116 9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.631 0.533 10.072 1.00 0.00 H new ATOM 504 N ILE A 34 5.506 3.197 3.819 1.00 0.00 N ATOM 505 CA ILE A 34 5.072 2.613 2.589 1.00 0.00 C ATOM 506 C ILE A 34 6.338 2.058 1.954 1.00 0.00 C ATOM 507 O ILE A 34 7.393 2.686 2.062 1.00 0.00 O ATOM 508 CB ILE A 34 4.328 3.684 1.772 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.028 3.111 0.393 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.052 5.036 1.650 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.921 3.870 -0.341 1.00 0.00 C ATOM 0 H ILE A 34 6.497 3.439 3.821 1.00 0.00 H new ATOM 0 HA ILE A 34 4.354 1.799 2.685 1.00 0.00 H new ATOM 0 HB ILE A 34 3.415 3.917 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.936 3.132 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.738 2.065 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.446 5.721 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.207 5.457 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.016 4.890 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.753 3.415 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.001 3.827 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.219 4.910 -0.472 1.00 0.00 H new ATOM 523 N LYS A 35 6.249 0.854 1.390 1.00 0.00 N ATOM 524 CA LYS A 35 7.331 0.223 0.665 1.00 0.00 C ATOM 525 C LYS A 35 6.822 -0.523 -0.574 1.00 0.00 C ATOM 526 O LYS A 35 6.439 -1.685 -0.492 1.00 0.00 O ATOM 527 CB LYS A 35 8.217 -0.629 1.592 1.00 0.00 C ATOM 528 CG LYS A 35 9.403 0.113 2.224 1.00 0.00 C ATOM 529 CD LYS A 35 10.396 0.624 1.171 1.00 0.00 C ATOM 530 CE LYS A 35 11.601 1.310 1.825 1.00 0.00 C ATOM 531 NZ LYS A 35 12.261 2.235 0.880 1.00 0.00 N ATOM 0 H LYS A 35 5.403 0.286 1.430 1.00 0.00 H new ATOM 0 HA LYS A 35 7.985 1.007 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.596 -1.035 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.600 -1.477 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.032 0.954 2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.920 -0.553 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.739 -0.209 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.893 1.325 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.276 1.858 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.314 0.557 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.073 2.687 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.590 1.705 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.584 2.965 0.579 1.00 0.00 H new ATOM 545 N VAL A 36 6.802 0.140 -1.730 1.00 0.00 N ATOM 546 CA VAL A 36 6.235 -0.415 -2.950 1.00 0.00 C ATOM 547 C VAL A 36 7.342 -1.018 -3.815 1.00 0.00 C ATOM 548 O VAL A 36 8.113 -0.298 -4.446 1.00 0.00 O ATOM 549 CB VAL A 36 5.379 0.647 -3.653 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.766 0.099 -4.945 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.234 1.061 -2.717 1.00 0.00 C ATOM 0 H VAL A 36 7.181 1.080 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 36 5.559 -1.240 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 36 6.018 1.496 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.165 0.874 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.562 -0.210 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.134 -0.758 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.619 1.816 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.622 0.190 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.647 1.472 -1.796 1.00 0.00 H new ATOM 561 N SER A 37 7.415 -2.350 -3.845 1.00 0.00 N ATOM 562 CA SER A 37 8.408 -3.094 -4.595 1.00 0.00 C ATOM 563 C SER A 37 7.945 -3.281 -6.043 1.00 0.00 C ATOM 564 O SER A 37 6.756 -3.176 -6.342 1.00 0.00 O ATOM 565 CB SER A 37 8.645 -4.442 -3.917 1.00 0.00 C ATOM 566 OG SER A 37 8.679 -4.330 -2.504 1.00 0.00 O ATOM 0 H SER A 37 6.766 -2.948 -3.334 1.00 0.00 H new ATOM 0 HA SER A 37 9.346 -2.540 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.856 -5.136 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.586 -4.864 -4.269 1.00 0.00 H new ATOM 0 HG SER A 37 7.767 -4.389 -2.149 1.00 0.00 H new ATOM 572 N LEU A 38 8.874 -3.603 -6.945 1.00 0.00 N ATOM 573 CA LEU A 38 8.554 -3.959 -8.324 1.00 0.00 C ATOM 574 C LEU A 38 8.981 -5.389 -8.638 1.00 0.00 C ATOM 575 O LEU A 38 8.192 -6.168 -9.168 1.00 0.00 O ATOM 576 CB LEU A 38 9.089 -2.935 -9.314 1.00 0.00 C ATOM 577 CG LEU A 38 10.594 -2.664 -9.229 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.286 -3.305 -10.432 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.807 -1.151 -9.204 1.00 0.00 C ATOM 0 H LEU A 38 9.872 -3.624 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 38 7.470 -3.933 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.854 -3.273 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.558 -1.995 -9.161 1.00 0.00 H new ATOM 0 HG LEU A 38 11.022 -3.095 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.358 -3.116 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.106 -4.380 -10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.888 -2.877 -11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.874 -0.935 -9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.399 -0.711 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.301 -0.727 -8.337 1.00 0.00 H new ATOM 591 N ASP A 39 10.217 -5.739 -8.281 1.00 0.00 N ATOM 592 CA ASP A 39 10.867 -6.997 -8.611 1.00 0.00 C ATOM 593 C ASP A 39 9.946 -8.165 -8.314 1.00 0.00 C ATOM 594 O ASP A 39 9.616 -8.969 -9.181 1.00 0.00 O ATOM 595 CB ASP A 39 12.140 -7.173 -7.767 1.00 0.00 C ATOM 596 CG ASP A 39 13.026 -5.935 -7.755 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.506 -4.894 -7.284 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.178 -6.044 -8.219 1.00 0.00 O ATOM 0 H ASP A 39 10.814 -5.123 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 39 11.114 -6.976 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.859 -7.421 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.711 -8.017 -8.154 1.00 0.00 H new ATOM 603 N ASN A 40 9.532 -8.230 -7.047 1.00 0.00 N ATOM 604 CA ASN A 40 8.724 -9.314 -6.530 1.00 0.00 C ATOM 605 C ASN A 40 7.232 -8.939 -6.569 1.00 0.00 C ATOM 606 O ASN A 40 6.439 -9.471 -5.792 1.00 0.00 O ATOM 607 CB ASN A 40 9.216 -9.693 -5.135 1.00 0.00 C ATOM 608 CG ASN A 40 8.937 -11.154 -4.792 1.00 0.00 C ATOM 609 OD1 ASN A 40 9.839 -11.985 -4.811 1.00 0.00 O ATOM 610 ND2 ASN A 40 7.695 -11.491 -4.468 1.00 0.00 N ATOM 0 H ASN A 40 9.756 -7.519 -6.351 1.00 0.00 H new ATOM 0 HA ASN A 40 8.830 -10.197 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.288 -9.506 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.734 -9.052 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.475 -12.458 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.960 -10.783 -4.459 1.00 0.00 H new ATOM 617 N GLN A 41 6.884 -7.982 -7.444 1.00 0.00 N ATOM 618 CA GLN A 41 5.591 -7.338 -7.637 1.00 0.00 C ATOM 619 C GLN A 41 4.725 -7.292 -6.368 1.00 0.00 C ATOM 620 O GLN A 41 3.711 -7.981 -6.224 1.00 0.00 O ATOM 621 CB GLN A 41 4.944 -7.865 -8.935 1.00 0.00 C ATOM 622 CG GLN A 41 4.672 -6.701 -9.902 1.00 0.00 C ATOM 623 CD GLN A 41 4.452 -7.137 -11.349 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.677 -8.037 -11.647 1.00 0.00 O ATOM 625 NE2 GLN A 41 5.123 -6.474 -12.285 1.00 0.00 N ATOM 0 H GLN A 41 7.575 -7.609 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 41 5.726 -6.269 -7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.602 -8.594 -9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.012 -8.380 -8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.793 -6.155 -9.560 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.512 -6.007 -9.866 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.765 -5.727 -12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.996 -6.712 -13.269 1.00 0.00 H new ATOM 634 N GLU A 42 5.162 -6.452 -5.424 1.00 0.00 N ATOM 635 CA GLU A 42 4.669 -6.396 -4.062 1.00 0.00 C ATOM 636 C GLU A 42 4.526 -4.934 -3.649 1.00 0.00 C ATOM 637 O GLU A 42 5.338 -4.102 -4.042 1.00 0.00 O ATOM 638 CB GLU A 42 5.655 -7.157 -3.169 1.00 0.00 C ATOM 639 CG GLU A 42 5.236 -7.151 -1.697 1.00 0.00 C ATOM 640 CD GLU A 42 5.907 -6.098 -0.830 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.370 -5.070 -1.372 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.913 -6.357 0.388 1.00 0.00 O ATOM 0 H GLU A 42 5.898 -5.769 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 42 3.688 -6.862 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.735 -8.187 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.645 -6.711 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.157 -7.006 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.446 -8.133 -1.273 1.00 0.00 H new ATOM 649 N ALA A 43 3.478 -4.626 -2.886 1.00 0.00 N ATOM 650 CA ALA A 43 3.243 -3.324 -2.304 1.00 0.00 C ATOM 651 C ALA A 43 3.070 -3.478 -0.798 1.00 0.00 C ATOM 652 O ALA A 43 2.071 -4.033 -0.344 1.00 0.00 O ATOM 653 CB ALA A 43 2.019 -2.678 -2.950 1.00 0.00 C ATOM 0 H ALA A 43 2.752 -5.304 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 43 4.094 -2.669 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.848 -1.697 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.189 -2.567 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.145 -3.308 -2.785 1.00 0.00 H new ATOM 659 N THR A 44 4.029 -2.969 -0.029 1.00 0.00 N ATOM 660 CA THR A 44 3.899 -2.767 1.400 1.00 0.00 C ATOM 661 C THR A 44 3.234 -1.406 1.599 1.00 0.00 C ATOM 662 O THR A 44 3.760 -0.412 1.103 1.00 0.00 O ATOM 663 CB THR A 44 5.298 -2.730 2.033 1.00 0.00 C ATOM 664 OG1 THR A 44 6.113 -3.805 1.618 1.00 0.00 O ATOM 665 CG2 THR A 44 5.172 -2.866 3.548 1.00 0.00 C ATOM 0 H THR A 44 4.936 -2.681 -0.396 1.00 0.00 H new ATOM 0 HA THR A 44 3.316 -3.566 1.858 1.00 0.00 H new ATOM 0 HB THR A 44 5.747 -1.786 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.549 -4.533 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.164 -2.840 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.574 -2.043 3.939 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.688 -3.812 3.789 1.00 0.00 H new ATOM 673 N ILE A 45 2.128 -1.324 2.341 1.00 0.00 N ATOM 674 CA ILE A 45 1.583 -0.047 2.783 1.00 0.00 C ATOM 675 C ILE A 45 1.477 -0.163 4.301 1.00 0.00 C ATOM 676 O ILE A 45 0.950 -1.162 4.793 1.00 0.00 O ATOM 677 CB ILE A 45 0.227 0.248 2.115 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.225 0.027 0.585 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.211 1.680 2.458 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.903 1.116 -0.236 1.00 0.00 C ATOM 0 H ILE A 45 1.592 -2.135 2.648 1.00 0.00 H new ATOM 0 HA ILE A 45 2.218 0.792 2.499 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.488 -0.471 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.716 -0.923 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.808 -0.066 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.171 1.890 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.309 1.782 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.535 2.386 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.845 0.863 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.401 2.068 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.949 1.198 0.061 1.00 0.00 H new ATOM 692 N VAL A 46 2.035 0.799 5.040 1.00 0.00 N ATOM 693 CA VAL A 46 2.092 0.737 6.499 1.00 0.00 C ATOM 694 C VAL A 46 1.295 1.894 7.093 1.00 0.00 C ATOM 695 O VAL A 46 1.680 3.053 6.926 1.00 0.00 O ATOM 696 CB VAL A 46 3.541 0.747 7.006 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.582 0.192 8.429 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.456 -0.092 6.116 1.00 0.00 C ATOM 0 H VAL A 46 2.458 1.639 4.644 1.00 0.00 H new ATOM 0 HA VAL A 46 1.647 -0.203 6.824 1.00 0.00 H new ATOM 0 HB VAL A 46 3.897 1.777 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.610 0.198 8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.964 0.811 9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.202 -0.829 8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.473 -0.060 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.104 -1.124 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.445 0.308 5.102 1.00 0.00 H new ATOM 708 N TYR A 47 0.187 1.600 7.780 1.00 0.00 N ATOM 709 CA TYR A 47 -0.732 2.638 8.230 1.00 0.00 C ATOM 710 C TYR A 47 -1.083 2.517 9.705 1.00 0.00 C ATOM 711 O TYR A 47 -0.712 1.556 10.376 1.00 0.00 O ATOM 712 CB TYR A 47 -1.978 2.684 7.334 1.00 0.00 C ATOM 713 CG TYR A 47 -3.024 1.629 7.636 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.850 0.308 7.187 1.00 0.00 C ATOM 715 CD2 TYR A 47 -4.182 1.967 8.362 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.842 -0.654 7.441 1.00 0.00 C ATOM 717 CE2 TYR A 47 -5.165 0.999 8.613 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.984 -0.317 8.179 1.00 0.00 C ATOM 719 OH TYR A 47 -5.899 -1.267 8.517 1.00 0.00 O ATOM 0 H TYR A 47 -0.091 0.652 8.034 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.216 3.593 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.438 3.668 7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.664 2.576 6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.955 0.033 6.648 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.314 2.975 8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.723 -1.659 7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.065 1.271 9.144 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.625 -0.854 9.029 1.00 0.00 H new ATOM 729 N GLN A 48 -1.788 3.530 10.202 1.00 0.00 N ATOM 730 CA GLN A 48 -2.225 3.632 11.575 1.00 0.00 C ATOM 731 C GLN A 48 -3.701 3.209 11.652 1.00 0.00 C ATOM 732 O GLN A 48 -4.557 3.934 11.138 1.00 0.00 O ATOM 733 CB GLN A 48 -2.016 5.080 12.014 1.00 0.00 C ATOM 734 CG GLN A 48 -2.096 5.176 13.544 1.00 0.00 C ATOM 735 CD GLN A 48 -0.802 4.753 14.234 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.543 3.563 14.428 1.00 0.00 O ATOM 737 NE2 GLN A 48 0.013 5.721 14.643 1.00 0.00 N ATOM 0 H GLN A 48 -2.076 4.326 9.633 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.660 2.979 12.240 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.046 5.438 11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.773 5.720 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.334 6.201 13.827 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.913 4.549 13.900 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.227 6.697 14.469 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.878 5.487 15.131 1.00 0.00 H new ATOM 746 N PRO A 49 -4.024 2.063 12.281 1.00 0.00 N ATOM 747 CA PRO A 49 -5.367 1.501 12.284 1.00 0.00 C ATOM 748 C PRO A 49 -6.278 2.294 13.223 1.00 0.00 C ATOM 749 O PRO A 49 -6.618 1.843 14.316 1.00 0.00 O ATOM 750 CB PRO A 49 -5.189 0.035 12.691 1.00 0.00 C ATOM 751 CG PRO A 49 -3.967 0.073 13.606 1.00 0.00 C ATOM 752 CD PRO A 49 -3.112 1.191 13.005 1.00 0.00 C ATOM 0 HA PRO A 49 -5.858 1.559 11.312 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.068 -0.349 13.209 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.024 -0.606 11.825 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.244 0.289 14.638 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.438 -0.880 13.610 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.587 1.741 13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.353 0.783 12.338 1.00 0.00 H new ATOM 760 N HIS A 50 -6.654 3.491 12.771 1.00 0.00 N ATOM 761 CA HIS A 50 -7.510 4.449 13.453 1.00 0.00 C ATOM 762 C HIS A 50 -7.811 5.616 12.511 1.00 0.00 C ATOM 763 O HIS A 50 -8.956 6.040 12.403 1.00 0.00 O ATOM 764 CB HIS A 50 -6.859 4.950 14.759 1.00 0.00 C ATOM 765 CG HIS A 50 -7.597 4.494 15.994 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.899 3.191 16.311 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.162 5.295 16.950 1.00 0.00 C ATOM 768 CE1 HIS A 50 -8.631 3.206 17.437 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.814 4.465 17.867 1.00 0.00 N ATOM 0 H HIS A 50 -6.347 3.834 11.861 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.443 3.957 13.726 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.829 4.596 14.805 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.821 6.039 14.746 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.618 2.363 15.786 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.113 6.373 16.989 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.019 2.326 17.929 1.00 0.00 H new ATOM 777 N LEU A 51 -6.780 6.146 11.843 1.00 0.00 N ATOM 778 CA LEU A 51 -6.937 7.325 10.999 1.00 0.00 C ATOM 779 C LEU A 51 -7.541 6.957 9.646 1.00 0.00 C ATOM 780 O LEU A 51 -8.418 7.662 9.152 1.00 0.00 O ATOM 781 CB LEU A 51 -5.614 8.065 10.818 1.00 0.00 C ATOM 782 CG LEU A 51 -5.146 8.802 12.092 1.00 0.00 C ATOM 783 CD1 LEU A 51 -4.279 7.922 12.994 1.00 0.00 C ATOM 784 CD2 LEU A 51 -4.332 10.052 11.732 1.00 0.00 C ATOM 0 H LEU A 51 -5.831 5.774 11.874 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.627 7.999 11.507 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.846 7.353 10.516 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.717 8.786 10.007 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.054 9.074 12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.978 8.489 13.875 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.849 7.046 13.304 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.392 7.603 12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.013 10.554 12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.455 9.761 11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.948 10.730 11.141 1.00 0.00 H new ATOM 796 N ILE A 52 -7.046 5.881 9.034 1.00 0.00 N ATOM 797 CA ILE A 52 -7.441 5.419 7.724 1.00 0.00 C ATOM 798 C ILE A 52 -7.612 3.896 7.807 1.00 0.00 C ATOM 799 O ILE A 52 -7.307 3.318 8.851 1.00 0.00 O ATOM 800 CB ILE A 52 -6.373 5.919 6.729 1.00 0.00 C ATOM 801 CG1 ILE A 52 -7.030 6.336 5.425 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.265 4.903 6.433 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.732 7.696 5.507 1.00 0.00 C ATOM 0 H ILE A 52 -6.332 5.292 9.462 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.396 5.808 7.370 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.894 6.769 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.274 6.372 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.756 5.577 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.556 5.333 5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.746 4.650 7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.703 4.001 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.180 7.933 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.511 7.658 6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.005 8.465 5.769 1.00 0.00 H new ATOM 815 N SER A 53 -8.131 3.248 6.757 1.00 0.00 N ATOM 816 CA SER A 53 -8.485 1.834 6.755 1.00 0.00 C ATOM 817 C SER A 53 -7.967 1.153 5.485 1.00 0.00 C ATOM 818 O SER A 53 -7.739 1.821 4.475 1.00 0.00 O ATOM 819 CB SER A 53 -10.013 1.726 6.830 1.00 0.00 C ATOM 820 OG SER A 53 -10.586 2.384 5.714 1.00 0.00 O ATOM 0 H SER A 53 -8.319 3.709 5.867 1.00 0.00 H new ATOM 0 HA SER A 53 -8.029 1.335 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.314 0.679 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.375 2.173 7.756 1.00 0.00 H new ATOM 0 HG SER A 53 -11.562 2.315 5.759 1.00 0.00 H new ATOM 826 N VAL A 54 -7.832 -0.182 5.530 1.00 0.00 N ATOM 827 CA VAL A 54 -7.488 -1.023 4.383 1.00 0.00 C ATOM 828 C VAL A 54 -8.233 -0.590 3.126 1.00 0.00 C ATOM 829 O VAL A 54 -7.631 -0.474 2.059 1.00 0.00 O ATOM 830 CB VAL A 54 -7.769 -2.509 4.691 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.902 -3.364 3.420 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.625 -3.104 5.513 1.00 0.00 C ATOM 0 H VAL A 54 -7.963 -0.716 6.389 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.421 -0.901 4.196 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.712 -2.529 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.099 -4.400 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.725 -2.988 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.976 -3.312 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.835 -4.153 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.694 -3.026 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.529 -2.558 6.451 1.00 0.00 H new ATOM 842 N GLU A 55 -9.549 -0.406 3.242 1.00 0.00 N ATOM 843 CA GLU A 55 -10.372 -0.127 2.086 1.00 0.00 C ATOM 844 C GLU A 55 -9.941 1.200 1.467 1.00 0.00 C ATOM 845 O GLU A 55 -9.740 1.238 0.272 1.00 0.00 O ATOM 846 CB GLU A 55 -11.853 -0.196 2.451 1.00 0.00 C ATOM 847 CG GLU A 55 -12.749 -0.756 1.339 1.00 0.00 C ATOM 848 CD GLU A 55 -12.829 0.119 0.094 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.034 1.338 0.261 1.00 0.00 O ATOM 850 OE2 GLU A 55 -12.715 -0.462 -1.009 1.00 0.00 O ATOM 0 H GLU A 55 -10.057 -0.447 4.125 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.229 -0.890 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.968 -0.815 3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.199 0.804 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.380 -1.741 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.755 -0.896 1.735 1.00 0.00 H new ATOM 857 N GLU A 56 -9.699 2.251 2.254 1.00 0.00 N ATOM 858 CA GLU A 56 -9.180 3.513 1.758 1.00 0.00 C ATOM 859 C GLU A 56 -7.906 3.243 0.966 1.00 0.00 C ATOM 860 O GLU A 56 -7.823 3.620 -0.196 1.00 0.00 O ATOM 861 CB GLU A 56 -8.940 4.500 2.915 1.00 0.00 C ATOM 862 CG GLU A 56 -9.682 5.824 2.678 1.00 0.00 C ATOM 863 CD GLU A 56 -9.042 6.639 1.559 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.847 6.962 1.710 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.742 6.924 0.563 1.00 0.00 O ATOM 0 H GLU A 56 -9.862 2.243 3.261 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.911 3.980 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.275 4.055 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.872 4.692 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.723 5.618 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.685 6.409 3.598 1.00 0.00 H new ATOM 872 N MET A 57 -6.933 2.540 1.554 1.00 0.00 N ATOM 873 CA MET A 57 -5.729 2.180 0.837 1.00 0.00 C ATOM 874 C MET A 57 -6.034 1.506 -0.506 1.00 0.00 C ATOM 875 O MET A 57 -5.641 2.013 -1.552 1.00 0.00 O ATOM 876 CB MET A 57 -4.835 1.322 1.716 1.00 0.00 C ATOM 877 CG MET A 57 -4.721 1.810 3.161 1.00 0.00 C ATOM 878 SD MET A 57 -3.201 1.327 3.991 1.00 0.00 S ATOM 879 CE MET A 57 -3.371 -0.461 3.914 1.00 0.00 C ATOM 0 H MET A 57 -6.965 2.215 2.520 1.00 0.00 H new ATOM 0 HA MET A 57 -5.192 3.097 0.596 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.218 0.302 1.718 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.838 1.287 1.277 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.796 2.897 3.171 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.568 1.426 3.729 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.442 -0.929 4.240 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.185 -0.778 4.566 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.589 -0.762 2.889 1.00 0.00 H new ATOM 889 N LYS A 58 -6.730 0.368 -0.504 1.00 0.00 N ATOM 890 CA LYS A 58 -7.041 -0.334 -1.740 1.00 0.00 C ATOM 891 C LYS A 58 -7.826 0.536 -2.704 1.00 0.00 C ATOM 892 O LYS A 58 -7.405 0.699 -3.834 1.00 0.00 O ATOM 893 CB LYS A 58 -7.670 -1.692 -1.457 1.00 0.00 C ATOM 894 CG LYS A 58 -8.631 -2.247 -2.512 1.00 0.00 C ATOM 895 CD LYS A 58 -10.083 -2.110 -2.037 1.00 0.00 C ATOM 896 CE LYS A 58 -11.053 -2.503 -3.155 1.00 0.00 C ATOM 897 NZ LYS A 58 -12.452 -2.389 -2.709 1.00 0.00 N ATOM 0 H LYS A 58 -7.086 -0.082 0.339 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.108 -0.548 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.866 -2.415 -1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.207 -1.626 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.497 -1.712 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.402 -3.295 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.248 -2.743 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.275 -1.083 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.891 -1.863 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.852 -3.526 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.088 -2.579 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.632 -3.079 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.625 -1.428 -2.350 1.00 0.00 H new ATOM 911 N LYS A 59 -8.955 1.082 -2.285 1.00 0.00 N ATOM 912 CA LYS A 59 -9.784 1.974 -3.067 1.00 0.00 C ATOM 913 C LYS A 59 -8.901 3.019 -3.736 1.00 0.00 C ATOM 914 O LYS A 59 -8.967 3.182 -4.948 1.00 0.00 O ATOM 915 CB LYS A 59 -10.856 2.578 -2.157 1.00 0.00 C ATOM 916 CG LYS A 59 -12.136 3.033 -2.859 1.00 0.00 C ATOM 917 CD LYS A 59 -12.000 4.432 -3.462 1.00 0.00 C ATOM 918 CE LYS A 59 -13.265 4.756 -4.264 1.00 0.00 C ATOM 919 NZ LYS A 59 -13.241 6.134 -4.789 1.00 0.00 N ATOM 0 H LYS A 59 -9.331 0.907 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.302 1.442 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.121 1.841 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.425 3.433 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.388 2.323 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.961 3.025 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.856 5.170 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.123 4.480 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.361 4.053 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.142 4.624 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.113 6.316 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.175 6.806 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.418 6.253 -5.414 1.00 0.00 H new ATOM 933 N GLN A 60 -8.045 3.692 -2.965 1.00 0.00 N ATOM 934 CA GLN A 60 -7.128 4.681 -3.530 1.00 0.00 C ATOM 935 C GLN A 60 -6.186 4.043 -4.563 1.00 0.00 C ATOM 936 O GLN A 60 -5.978 4.594 -5.642 1.00 0.00 O ATOM 937 CB GLN A 60 -6.330 5.340 -2.407 1.00 0.00 C ATOM 938 CG GLN A 60 -7.228 6.196 -1.497 1.00 0.00 C ATOM 939 CD GLN A 60 -7.512 7.600 -2.017 1.00 0.00 C ATOM 940 OE1 GLN A 60 -6.886 8.077 -2.960 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.477 8.277 -1.407 1.00 0.00 N ATOM 0 H GLN A 60 -7.968 3.571 -1.955 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.713 5.441 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.836 4.572 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.546 5.964 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.176 5.678 -1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.758 6.275 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.980 7.856 -0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.715 9.218 -1.719 1.00 0.00 H new ATOM 950 N ILE A 61 -5.596 2.895 -4.230 1.00 0.00 N ATOM 951 CA ILE A 61 -4.637 2.201 -5.080 1.00 0.00 C ATOM 952 C ILE A 61 -5.328 1.649 -6.326 1.00 0.00 C ATOM 953 O ILE A 61 -5.053 2.112 -7.429 1.00 0.00 O ATOM 954 CB ILE A 61 -3.880 1.142 -4.271 1.00 0.00 C ATOM 955 CG1 ILE A 61 -3.024 1.911 -3.250 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.997 0.284 -5.194 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.330 0.988 -2.259 1.00 0.00 C ATOM 0 H ILE A 61 -5.776 2.416 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.885 2.903 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.566 0.459 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.275 2.500 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.656 2.613 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.468 -0.462 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.622 -0.217 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.275 0.922 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.739 1.582 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.078 0.418 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.675 0.303 -2.797 1.00 0.00 H new ATOM 969 N GLU A 62 -6.227 0.674 -6.175 1.00 0.00 N ATOM 970 CA GLU A 62 -7.032 0.160 -7.262 1.00 0.00 C ATOM 971 C GLU A 62 -7.656 1.275 -8.112 1.00 0.00 C ATOM 972 O GLU A 62 -7.698 1.133 -9.331 1.00 0.00 O ATOM 973 CB GLU A 62 -8.099 -0.774 -6.665 1.00 0.00 C ATOM 974 CG GLU A 62 -8.005 -2.173 -7.266 1.00 0.00 C ATOM 975 CD GLU A 62 -9.019 -3.138 -6.659 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.029 -2.650 -6.104 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.745 -4.354 -6.738 1.00 0.00 O ATOM 0 H GLU A 62 -6.411 0.220 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.394 -0.397 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.973 -0.830 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.091 -0.362 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.164 -2.114 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.999 -2.564 -7.113 1.00 0.00 H new ATOM 984 N ALA A 63 -8.104 2.392 -7.515 1.00 0.00 N ATOM 985 CA ALA A 63 -8.650 3.504 -8.298 1.00 0.00 C ATOM 986 C ALA A 63 -7.679 4.004 -9.370 1.00 0.00 C ATOM 987 O ALA A 63 -8.125 4.461 -10.421 1.00 0.00 O ATOM 988 CB ALA A 63 -9.051 4.671 -7.399 1.00 0.00 C ATOM 0 H ALA A 63 -8.098 2.545 -6.507 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.534 3.110 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.452 5.480 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.810 4.340 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.177 5.027 -6.854 1.00 0.00 H new ATOM 994 N MET A 64 -6.367 3.938 -9.121 1.00 0.00 N ATOM 995 CA MET A 64 -5.380 4.245 -10.138 1.00 0.00 C ATOM 996 C MET A 64 -5.569 3.342 -11.359 1.00 0.00 C ATOM 997 O MET A 64 -5.511 3.809 -12.494 1.00 0.00 O ATOM 998 CB MET A 64 -3.978 4.029 -9.578 1.00 0.00 C ATOM 999 CG MET A 64 -3.611 4.883 -8.367 1.00 0.00 C ATOM 1000 SD MET A 64 -3.845 6.662 -8.580 1.00 0.00 S ATOM 1001 CE MET A 64 -2.513 7.258 -7.523 1.00 0.00 C ATOM 0 H MET A 64 -5.972 3.673 -8.219 1.00 0.00 H new ATOM 0 HA MET A 64 -5.507 5.286 -10.437 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.874 2.979 -9.304 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.256 4.225 -10.370 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.207 4.554 -7.516 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.567 4.698 -8.115 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.399 8.334 -7.653 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.751 7.042 -6.481 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.583 6.759 -7.794 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.759 2.042 -11.111 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.968 1.032 -12.138 1.00 0.00 C ATOM 1013 C GLY A 65 -5.264 -0.275 -11.779 1.00 0.00 C ATOM 1014 O GLY A 65 -5.598 -1.327 -12.316 1.00 0.00 O ATOM 0 H GLY A 65 -5.771 1.660 -10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.036 0.851 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.594 1.399 -13.094 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.271 -0.213 -10.889 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.411 -1.338 -10.563 1.00 0.00 C ATOM 1020 C PHE A 66 -4.152 -2.306 -9.636 1.00 0.00 C ATOM 1021 O PHE A 66 -4.426 -1.927 -8.498 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.162 -0.796 -9.862 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.433 0.272 -10.652 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.741 -0.058 -11.832 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.534 1.616 -10.253 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.198 0.962 -12.633 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.978 2.633 -11.044 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.348 2.306 -12.253 1.00 0.00 C ATOM 0 H PHE A 66 -4.044 0.635 -10.370 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.130 -1.874 -11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.449 -0.386 -8.894 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.478 -1.622 -9.668 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.627 -1.092 -12.122 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.042 1.867 -9.333 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.334 0.712 -13.539 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.035 3.663 -10.723 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.024 3.091 -12.895 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.473 -3.538 -10.061 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.128 -4.490 -9.184 1.00 0.00 C ATOM 1040 C PRO A 67 -4.151 -4.891 -8.078 1.00 0.00 C ATOM 1041 O PRO A 67 -2.967 -5.109 -8.350 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.515 -5.669 -10.078 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.454 -5.640 -11.177 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.140 -4.151 -11.339 1.00 0.00 C ATOM 0 HA PRO A 67 -6.014 -4.091 -8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.501 -6.611 -9.530 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.519 -5.552 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.568 -6.208 -10.893 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.827 -6.074 -12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.090 -3.997 -11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.725 -3.713 -12.148 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.636 -4.969 -6.834 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.808 -5.290 -5.683 1.00 0.00 C ATOM 1054 C ALA A 68 -4.509 -6.280 -4.760 1.00 0.00 C ATOM 1055 O ALA A 68 -5.667 -6.098 -4.391 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.449 -4.030 -4.907 1.00 0.00 C ATOM 0 H ALA A 68 -5.617 -4.810 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.893 -5.750 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.829 -4.295 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.900 -3.348 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.361 -3.545 -4.559 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.777 -7.312 -4.351 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.250 -8.374 -3.476 1.00 0.00 C ATOM 1064 C PHE A 69 -3.756 -8.099 -2.063 1.00 0.00 C ATOM 1065 O PHE A 69 -2.822 -8.753 -1.599 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.769 -9.730 -3.992 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.700 -10.399 -4.979 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.650 -10.065 -6.344 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.634 -11.348 -4.521 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.507 -10.708 -7.253 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.482 -11.998 -5.432 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.414 -11.683 -6.800 1.00 0.00 C ATOM 0 H PHE A 69 -2.804 -7.434 -4.631 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.340 -8.400 -3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.795 -9.599 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.624 -10.396 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.955 -9.316 -6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.698 -11.576 -3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.469 -10.453 -8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.185 -12.739 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.058 -12.190 -7.503 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.386 -7.129 -1.400 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.181 -6.810 0.009 1.00 0.00 C ATOM 1084 C VAL A 70 -4.642 -7.968 0.902 1.00 0.00 C ATOM 1085 O VAL A 70 -5.839 -8.174 1.073 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.782 -5.439 0.352 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.289 -5.378 0.163 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.442 -5.056 1.793 1.00 0.00 C ATOM 0 H VAL A 70 -5.076 -6.525 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.115 -6.706 0.214 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.338 -4.731 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.648 -4.382 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.534 -5.592 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.767 -6.116 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.874 -4.082 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.849 -5.803 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.359 -5.009 1.911 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.707 -8.757 1.452 1.00 0.00 N ATOM 1099 CA LYS A 71 -4.048 -9.863 2.332 1.00 0.00 C ATOM 1100 C LYS A 71 -2.901 -10.270 3.266 1.00 0.00 C ATOM 1101 O LYS A 71 -2.472 -11.422 3.266 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.599 -11.030 1.519 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.614 -11.442 0.438 1.00 0.00 C ATOM 1104 CD LYS A 71 -4.072 -12.753 -0.213 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.995 -13.312 -1.150 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.429 -14.568 -1.801 1.00 0.00 N ATOM 0 H LYS A 71 -2.706 -8.641 1.296 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.836 -9.521 3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.800 -11.876 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.549 -10.747 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.539 -10.658 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.620 -11.567 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.301 -13.486 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.992 -12.582 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.757 -12.571 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.080 -13.493 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.673 -14.914 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.632 -15.284 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.287 -14.390 -2.361 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.413 -9.345 4.089 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.440 -9.648 5.129 1.00 0.00 C ATOM 1122 C LYS A 72 -1.595 -8.562 6.184 1.00 0.00 C ATOM 1123 O LYS A 72 -1.748 -7.410 5.798 1.00 0.00 O ATOM 1124 CB LYS A 72 -0.020 -9.640 4.537 1.00 0.00 C ATOM 1125 CG LYS A 72 0.883 -10.724 5.139 1.00 0.00 C ATOM 1126 CD LYS A 72 0.634 -12.068 4.436 1.00 0.00 C ATOM 1127 CE LYS A 72 1.260 -13.260 5.174 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.713 -13.110 5.392 1.00 0.00 N ATOM 0 H LYS A 72 -2.684 -8.362 4.051 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.603 -10.635 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.081 -9.783 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.433 -8.663 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.929 -10.437 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.686 -10.821 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.440 -12.229 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.038 -12.022 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.765 -13.383 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.077 -14.170 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.086 -13.967 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.189 -12.970 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.889 -12.288 6.004 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.590 -8.907 7.472 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.687 -7.950 8.569 1.00 0.00 C ATOM 1144 C ILE A 73 -0.636 -8.377 9.595 1.00 0.00 C ATOM 1145 O ILE A 73 -0.953 -9.118 10.519 1.00 0.00 O ATOM 1146 CB ILE A 73 -3.130 -7.925 9.135 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.115 -7.318 8.117 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.187 -7.101 10.433 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -5.583 -7.641 8.414 1.00 0.00 C ATOM 0 H ILE A 73 -1.517 -9.875 7.785 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.489 -6.926 8.252 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.417 -8.956 9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.986 -6.236 8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.866 -7.684 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.208 -7.095 10.816 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.524 -7.545 11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.870 -6.078 10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.217 -7.181 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.728 -8.721 8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.850 -7.251 9.396 1.00 0.00 H new