USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 69 GLN : amide:sc= -1.99 K(o=-3.9,f=-6.4!) USER MOD Set 1.2: A 71 MET CE :methyl 163:sc= -1.87 (180deg=-2.26!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0.201 (180deg=-0.154) USER MOD Single : A 26 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -179:sc= -1.97 USER MOD Single : A 51 ASN : amide:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 52 MET CE :methyl -163:sc= -2.95! (180deg=-5.87!) USER MOD Single : A 53 MET CE :methyl 173:sc= -3.1 (180deg=-3.25) USER MOD Single : A 54 HIS : no HD1:sc= -0.0991 X(o=-0.099,f=-0.21) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -107:sc= -5.16! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.461 F(o=-1.3,f=-0.46) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -2.63! C(o=-2.6!,f=-5.1!) USER MOD Single : A 76 THR OG1 : rot 82:sc= 0.53 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -136:sc= -1.72 USER MOD Single : A 86 CYS SG : rot 69:sc= -1.42 USER MOD Single : A 87 GLN : amide:sc= -7.28 K(o=-7.3,f=-10!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -2.67 K(o=-2.7,f=-4.6!) USER MOD Single : A 96 GLN :FLIP amide:sc= -3.1! C(o=-3.7!,f=-3.1!) USER MOD Single : A 97 SER OG : rot 160:sc= 0.0039 USER MOD Single : A 100 LYS NZ :NH3+ 131:sc= 0.847 (180deg=-0.404!) USER MOD Single : A 102 ASN : amide:sc= -0.415 X(o=-0.41,f=0.077) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -0.945 -4.988 -10.543 1.00 0.00 N ATOM 17 CA PHE A 18 0.175 -4.119 -10.196 1.00 0.00 C ATOM 18 C PHE A 18 -0.213 -2.658 -10.401 1.00 0.00 C ATOM 19 O PHE A 18 -1.027 -2.344 -11.270 1.00 0.00 O ATOM 20 CB PHE A 18 1.400 -4.467 -11.044 1.00 0.00 C ATOM 21 CG PHE A 18 2.391 -5.343 -10.332 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.074 -6.653 -10.009 1.00 0.00 C ATOM 23 CD2 PHE A 18 3.640 -4.855 -9.984 1.00 0.00 C ATOM 24 CE1 PHE A 18 2.986 -7.459 -9.354 1.00 0.00 C ATOM 25 CE2 PHE A 18 4.555 -5.655 -9.329 1.00 0.00 C ATOM 26 CZ PHE A 18 4.228 -6.958 -9.013 1.00 0.00 C ATOM 0 HA PHE A 18 0.426 -4.272 -9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.072 -4.969 -11.954 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.895 -3.545 -11.349 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.104 -7.048 -10.272 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.901 -3.836 -10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.728 -8.479 -9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.525 -5.262 -9.064 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.942 -7.585 -8.500 1.00 0.00 H new ATOM 36 N LYS A 19 0.349 -1.769 -9.588 1.00 0.00 N ATOM 37 CA LYS A 19 0.024 -0.353 -9.690 1.00 0.00 C ATOM 38 C LYS A 19 1.216 0.543 -9.363 1.00 0.00 C ATOM 39 O LYS A 19 1.675 0.587 -8.223 1.00 0.00 O ATOM 40 CB LYS A 19 -1.132 -0.028 -8.744 1.00 0.00 C ATOM 41 CG LYS A 19 -2.331 0.576 -9.446 1.00 0.00 C ATOM 42 CD LYS A 19 -3.637 0.148 -8.795 1.00 0.00 C ATOM 43 CE LYS A 19 -4.505 -0.650 -9.756 1.00 0.00 C ATOM 44 NZ LYS A 19 -4.209 -2.107 -9.689 1.00 0.00 N ATOM 0 H LYS A 19 1.024 -2.001 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.260 -0.155 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.441 -0.940 -8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.782 0.664 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.254 1.663 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.330 0.274 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.424 -0.453 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.182 1.029 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.556 -0.482 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.344 -0.293 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.821 -2.617 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.212 -2.271 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.387 -2.453 -8.725 1.00 0.00 H new ATOM 58 N ASP A 20 1.687 1.289 -10.361 1.00 0.00 N ATOM 59 CA ASP A 20 2.794 2.219 -10.161 1.00 0.00 C ATOM 60 C ASP A 20 2.274 3.437 -9.414 1.00 0.00 C ATOM 61 O ASP A 20 2.076 4.505 -9.994 1.00 0.00 O ATOM 62 CB ASP A 20 3.402 2.638 -11.502 1.00 0.00 C ATOM 63 CG ASP A 20 3.649 1.458 -12.419 1.00 0.00 C ATOM 64 OD1 ASP A 20 2.690 0.703 -12.689 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.802 1.285 -12.868 1.00 0.00 O ATOM 0 H ASP A 20 1.320 1.267 -11.312 1.00 0.00 H new ATOM 0 HA ASP A 20 3.577 1.732 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.734 3.344 -11.995 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.343 3.159 -11.324 1.00 0.00 H new ATOM 70 N VAL A 21 2.025 3.250 -8.125 1.00 0.00 N ATOM 71 CA VAL A 21 1.491 4.306 -7.286 1.00 0.00 C ATOM 72 C VAL A 21 2.458 5.467 -7.139 1.00 0.00 C ATOM 73 O VAL A 21 3.619 5.287 -6.770 1.00 0.00 O ATOM 74 CB VAL A 21 1.126 3.777 -5.885 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.444 4.861 -5.060 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.239 2.547 -6.001 1.00 0.00 C ATOM 0 H VAL A 21 2.187 2.369 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 21 0.592 4.665 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 21 2.045 3.492 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.195 4.466 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.116 5.712 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.468 5.182 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.011 2.184 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.676 2.807 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.768 1.767 -6.549 1.00 0.00 H new ATOM 86 N PHE A 22 1.958 6.665 -7.408 1.00 0.00 N ATOM 87 CA PHE A 22 2.756 7.869 -7.282 1.00 0.00 C ATOM 88 C PHE A 22 2.126 8.782 -6.242 1.00 0.00 C ATOM 89 O PHE A 22 1.123 9.443 -6.513 1.00 0.00 O ATOM 90 CB PHE A 22 2.846 8.598 -8.629 1.00 0.00 C ATOM 91 CG PHE A 22 4.201 9.185 -8.932 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.177 9.287 -7.950 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.498 9.631 -10.210 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.414 9.819 -8.237 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.740 10.164 -10.502 1.00 0.00 C ATOM 96 CZ PHE A 22 6.699 10.255 -9.512 1.00 0.00 C ATOM 0 H PHE A 22 0.999 6.826 -7.716 1.00 0.00 H new ATOM 0 HA PHE A 22 3.764 7.596 -6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.580 7.901 -9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.106 9.398 -8.645 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.963 8.945 -6.948 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.751 9.561 -10.987 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.162 9.895 -7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.960 10.508 -11.502 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.671 10.668 -9.738 1.00 0.00 H new ATOM 106 N ILE A 23 2.705 8.810 -5.050 1.00 0.00 N ATOM 107 CA ILE A 23 2.178 9.640 -3.977 1.00 0.00 C ATOM 108 C ILE A 23 2.957 10.936 -3.863 1.00 0.00 C ATOM 109 O ILE A 23 4.067 10.960 -3.335 1.00 0.00 O ATOM 110 CB ILE A 23 2.219 8.903 -2.628 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.649 7.492 -2.784 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.456 9.685 -1.571 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.150 7.456 -3.004 1.00 0.00 C ATOM 0 H ILE A 23 3.535 8.271 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 23 1.140 9.864 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 23 3.256 8.821 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.141 7.003 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.889 6.913 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.495 9.149 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.908 10.670 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.417 9.798 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.178 6.422 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.354 7.915 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.098 8.006 -3.912 1.00 0.00 H new ATOM 125 N GLU A 24 2.361 12.009 -4.359 1.00 0.00 N ATOM 126 CA GLU A 24 2.990 13.323 -4.322 1.00 0.00 C ATOM 127 C GLU A 24 2.584 14.082 -3.065 1.00 0.00 C ATOM 128 O GLU A 24 1.399 14.203 -2.756 1.00 0.00 O ATOM 129 CB GLU A 24 2.612 14.125 -5.570 1.00 0.00 C ATOM 130 CG GLU A 24 3.801 14.776 -6.258 1.00 0.00 C ATOM 131 CD GLU A 24 3.847 16.277 -6.049 1.00 0.00 C ATOM 132 OE1 GLU A 24 3.263 16.755 -5.054 1.00 0.00 O ATOM 133 OE2 GLU A 24 4.466 16.974 -6.880 1.00 0.00 O ATOM 0 H GLU A 24 1.439 11.997 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 24 4.071 13.185 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.110 13.465 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.896 14.898 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.722 14.332 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.759 14.563 -7.326 1.00 0.00 H new ATOM 140 N LYS A 25 3.575 14.594 -2.343 1.00 0.00 N ATOM 141 CA LYS A 25 3.312 15.342 -1.119 1.00 0.00 C ATOM 142 C LYS A 25 4.380 16.402 -0.888 1.00 0.00 C ATOM 143 O LYS A 25 5.335 16.516 -1.655 1.00 0.00 O ATOM 144 CB LYS A 25 3.246 14.394 0.082 1.00 0.00 C ATOM 145 CG LYS A 25 4.483 13.526 0.247 1.00 0.00 C ATOM 146 CD LYS A 25 4.143 12.191 0.894 1.00 0.00 C ATOM 147 CE LYS A 25 4.890 11.044 0.233 1.00 0.00 C ATOM 148 NZ LYS A 25 6.366 11.239 0.285 1.00 0.00 N ATOM 0 H LYS A 25 4.563 14.506 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 25 2.350 15.842 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.102 14.981 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.373 13.750 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.941 13.354 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.219 14.051 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.393 12.226 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.070 12.015 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.630 10.108 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.572 10.954 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.790 10.923 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.578 12.247 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.762 10.684 1.070 1.00 0.00 H new ATOM 162 N GLN A 26 4.214 17.177 0.179 1.00 0.00 N ATOM 163 CA GLN A 26 5.164 18.227 0.516 1.00 0.00 C ATOM 164 C GLN A 26 6.290 17.671 1.376 1.00 0.00 C ATOM 165 O GLN A 26 6.063 16.822 2.237 1.00 0.00 O ATOM 166 CB GLN A 26 4.459 19.369 1.250 1.00 0.00 C ATOM 167 CG GLN A 26 3.211 19.869 0.541 1.00 0.00 C ATOM 168 CD GLN A 26 3.493 20.339 -0.872 1.00 0.00 C ATOM 169 OE1 GLN A 26 4.501 20.994 -1.133 1.00 0.00 O ATOM 170 NE2 GLN A 26 2.596 20.006 -1.795 1.00 0.00 N ATOM 0 H GLN A 26 3.429 17.096 0.825 1.00 0.00 H new ATOM 0 HA GLN A 26 5.589 18.614 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.188 19.034 2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.156 20.198 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.469 19.071 0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.776 20.689 1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.774 19.461 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.730 20.295 -2.764 1.00 0.00 H new ATOM 179 N LYS A 27 7.506 18.151 1.141 1.00 0.00 N ATOM 180 CA LYS A 27 8.663 17.693 1.898 1.00 0.00 C ATOM 181 C LYS A 27 8.395 17.778 3.396 1.00 0.00 C ATOM 182 O LYS A 27 7.991 18.820 3.912 1.00 0.00 O ATOM 183 CB LYS A 27 9.904 18.506 1.527 1.00 0.00 C ATOM 184 CG LYS A 27 10.930 17.709 0.737 1.00 0.00 C ATOM 185 CD LYS A 27 10.647 17.760 -0.755 1.00 0.00 C ATOM 186 CE LYS A 27 11.713 17.022 -1.550 1.00 0.00 C ATOM 187 NZ LYS A 27 12.234 17.844 -2.678 1.00 0.00 N ATOM 0 H LYS A 27 7.715 18.856 0.434 1.00 0.00 H new ATOM 0 HA LYS A 27 8.847 16.649 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.600 19.374 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.369 18.882 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.927 18.103 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.925 16.672 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.671 17.319 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.601 18.799 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.536 16.750 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.297 16.093 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.958 17.305 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.454 18.082 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.654 18.719 -2.305 1.00 0.00 H new ATOM 201 N GLY A 28 8.601 16.660 4.081 1.00 0.00 N ATOM 202 CA GLY A 28 8.356 16.600 5.505 1.00 0.00 C ATOM 203 C GLY A 28 7.013 15.967 5.810 1.00 0.00 C ATOM 204 O GLY A 28 6.507 16.074 6.928 1.00 0.00 O ATOM 0 H GLY A 28 8.936 15.789 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.148 16.027 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.389 17.606 5.924 1.00 0.00 H new ATOM 208 N GLU A 29 6.432 15.307 4.808 1.00 0.00 N ATOM 209 CA GLU A 29 5.133 14.656 4.970 1.00 0.00 C ATOM 210 C GLU A 29 5.210 13.168 4.639 1.00 0.00 C ATOM 211 O GLU A 29 5.788 12.778 3.626 1.00 0.00 O ATOM 212 CB GLU A 29 4.088 15.331 4.080 1.00 0.00 C ATOM 213 CG GLU A 29 3.959 16.827 4.316 1.00 0.00 C ATOM 214 CD GLU A 29 2.579 17.224 4.802 1.00 0.00 C ATOM 215 OE1 GLU A 29 1.602 16.535 4.443 1.00 0.00 O ATOM 216 OE2 GLU A 29 2.475 18.227 5.541 1.00 0.00 O ATOM 0 H GLU A 29 6.839 15.209 3.878 1.00 0.00 H new ATOM 0 HA GLU A 29 4.839 14.757 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.347 15.158 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.120 14.860 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.702 17.141 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.181 17.358 3.390 1.00 0.00 H new ATOM 223 N ILE A 30 4.620 12.341 5.501 1.00 0.00 N ATOM 224 CA ILE A 30 4.616 10.903 5.298 1.00 0.00 C ATOM 225 C ILE A 30 3.451 10.473 4.410 1.00 0.00 C ATOM 226 O ILE A 30 2.411 11.129 4.374 1.00 0.00 O ATOM 227 CB ILE A 30 4.543 10.152 6.643 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.176 10.350 7.293 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.651 10.619 7.574 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.499 9.052 7.687 1.00 0.00 C ATOM 0 H ILE A 30 4.139 12.648 6.346 1.00 0.00 H new ATOM 0 HA ILE A 30 5.551 10.647 4.800 1.00 0.00 H new ATOM 0 HB ILE A 30 4.681 9.088 6.452 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.291 10.974 8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.530 10.893 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.585 10.079 8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.619 10.426 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.544 11.688 7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.533 9.269 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.352 8.435 6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.125 8.517 8.402 1.00 0.00 H new ATOM 242 N LEU A 31 3.633 9.366 3.695 1.00 0.00 N ATOM 243 CA LEU A 31 2.599 8.845 2.807 1.00 0.00 C ATOM 244 C LEU A 31 1.258 8.732 3.528 1.00 0.00 C ATOM 245 O LEU A 31 0.239 9.227 3.046 1.00 0.00 O ATOM 246 CB LEU A 31 3.015 7.472 2.272 1.00 0.00 C ATOM 247 CG LEU A 31 2.666 7.211 0.807 1.00 0.00 C ATOM 248 CD1 LEU A 31 3.691 7.867 -0.102 1.00 0.00 C ATOM 249 CD2 LEU A 31 2.592 5.717 0.536 1.00 0.00 C ATOM 0 H LEU A 31 4.489 8.812 3.714 1.00 0.00 H new ATOM 0 HA LEU A 31 2.483 9.542 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.092 7.362 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.543 6.703 2.884 1.00 0.00 H new ATOM 0 HG LEU A 31 1.688 7.646 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.431 7.674 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.700 8.942 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.679 7.456 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.343 5.549 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.556 5.259 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.824 5.270 1.168 1.00 0.00 H new ATOM 261 N GLY A 32 1.267 8.074 4.681 1.00 0.00 N ATOM 262 CA GLY A 32 0.048 7.905 5.447 1.00 0.00 C ATOM 263 C GLY A 32 -0.485 6.484 5.392 1.00 0.00 C ATOM 264 O GLY A 32 -1.541 6.191 5.952 1.00 0.00 O ATOM 0 H GLY A 32 2.097 7.654 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.235 8.179 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.712 8.589 5.069 1.00 0.00 H new ATOM 268 N VAL A 33 0.248 5.597 4.720 1.00 0.00 N ATOM 269 CA VAL A 33 -0.165 4.204 4.603 1.00 0.00 C ATOM 270 C VAL A 33 0.496 3.347 5.670 1.00 0.00 C ATOM 271 O VAL A 33 1.680 3.502 5.965 1.00 0.00 O ATOM 272 CB VAL A 33 0.181 3.621 3.220 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.745 4.182 2.155 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.637 3.890 2.875 1.00 0.00 C ATOM 0 H VAL A 33 1.126 5.819 4.251 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.247 4.189 4.736 1.00 0.00 H new ATOM 0 HB VAL A 33 0.037 2.541 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.484 3.758 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.776 3.925 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.640 5.266 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.862 3.471 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.814 4.965 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.280 3.427 3.624 1.00 0.00 H new ATOM 284 N VAL A 34 -0.278 2.433 6.237 1.00 0.00 N ATOM 285 CA VAL A 34 0.227 1.539 7.266 1.00 0.00 C ATOM 286 C VAL A 34 0.192 0.098 6.776 1.00 0.00 C ATOM 287 O VAL A 34 -0.853 -0.556 6.811 1.00 0.00 O ATOM 288 CB VAL A 34 -0.588 1.658 8.568 1.00 0.00 C ATOM 289 CG1 VAL A 34 0.185 1.071 9.737 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.956 3.109 8.839 1.00 0.00 C ATOM 0 H VAL A 34 -1.260 2.292 6.000 1.00 0.00 H new ATOM 0 HA VAL A 34 1.256 1.830 7.477 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.511 1.090 8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.406 1.164 10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.392 0.018 9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.125 1.609 9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.531 3.172 9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.047 3.703 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.554 3.493 8.012 1.00 0.00 H new ATOM 300 N ILE A 35 1.334 -0.392 6.308 1.00 0.00 N ATOM 301 CA ILE A 35 1.412 -1.755 5.803 1.00 0.00 C ATOM 302 C ILE A 35 1.916 -2.723 6.867 1.00 0.00 C ATOM 303 O ILE A 35 2.778 -2.386 7.678 1.00 0.00 O ATOM 304 CB ILE A 35 2.308 -1.874 4.548 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.547 -0.980 4.653 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.513 -1.527 3.299 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.402 -1.259 5.868 1.00 0.00 C ATOM 0 H ILE A 35 2.210 0.129 6.268 1.00 0.00 H new ATOM 0 HA ILE A 35 0.392 -2.022 5.525 1.00 0.00 H new ATOM 0 HB ILE A 35 2.649 -2.907 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.153 -1.109 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.230 0.063 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.155 -1.615 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.671 -2.212 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.142 -0.505 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.260 -0.586 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.813 -1.101 6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.751 -2.291 5.838 1.00 0.00 H new ATOM 319 N VAL A 36 1.370 -3.933 6.852 1.00 0.00 N ATOM 320 CA VAL A 36 1.758 -4.966 7.802 1.00 0.00 C ATOM 321 C VAL A 36 2.206 -6.223 7.066 1.00 0.00 C ATOM 322 O VAL A 36 1.903 -6.402 5.889 1.00 0.00 O ATOM 323 CB VAL A 36 0.601 -5.324 8.755 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.485 -4.291 9.865 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.710 -5.444 7.990 1.00 0.00 C ATOM 0 H VAL A 36 0.653 -4.223 6.187 1.00 0.00 H new ATOM 0 HA VAL A 36 2.584 -4.569 8.392 1.00 0.00 H new ATOM 0 HB VAL A 36 0.818 -6.291 9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.337 -4.560 10.528 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.415 -4.262 10.433 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.294 -3.310 9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.513 -5.697 8.682 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.936 -4.495 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.621 -6.226 7.236 1.00 0.00 H new ATOM 335 N GLU A 37 2.933 -7.091 7.759 1.00 0.00 N ATOM 336 CA GLU A 37 3.421 -8.325 7.152 1.00 0.00 C ATOM 337 C GLU A 37 2.267 -9.174 6.628 1.00 0.00 C ATOM 338 O GLU A 37 1.473 -9.708 7.404 1.00 0.00 O ATOM 339 CB GLU A 37 4.241 -9.127 8.167 1.00 0.00 C ATOM 340 CG GLU A 37 5.699 -8.703 8.242 1.00 0.00 C ATOM 341 CD GLU A 37 6.561 -9.403 7.209 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.948 -10.566 7.448 1.00 0.00 O ATOM 343 OE2 GLU A 37 6.850 -8.787 6.163 1.00 0.00 O ATOM 0 H GLU A 37 3.197 -6.965 8.736 1.00 0.00 H new ATOM 0 HA GLU A 37 4.058 -8.056 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.789 -9.020 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.192 -10.184 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.768 -7.625 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.086 -8.917 9.238 1.00 0.00 H new ATOM 350 N SER A 38 2.181 -9.299 5.306 1.00 0.00 N ATOM 351 CA SER A 38 1.126 -10.088 4.676 1.00 0.00 C ATOM 352 C SER A 38 1.337 -11.576 4.927 1.00 0.00 C ATOM 353 O SER A 38 2.421 -12.108 4.688 1.00 0.00 O ATOM 354 CB SER A 38 1.082 -9.812 3.172 1.00 0.00 C ATOM 355 OG SER A 38 -0.028 -10.450 2.570 1.00 0.00 O ATOM 0 H SER A 38 2.830 -8.864 4.650 1.00 0.00 H new ATOM 0 HA SER A 38 0.174 -9.795 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.027 -8.737 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.003 -10.163 2.707 1.00 0.00 H new ATOM 0 HG SER A 38 -0.035 -10.257 1.609 1.00 0.00 H new ATOM 448 N PRO A 45 3.929 -12.795 0.199 1.00 0.00 N ATOM 449 CA PRO A 45 3.954 -11.991 1.425 1.00 0.00 C ATOM 450 C PRO A 45 5.015 -10.897 1.386 1.00 0.00 C ATOM 451 O PRO A 45 6.122 -11.108 0.891 1.00 0.00 O ATOM 452 CB PRO A 45 4.282 -13.006 2.526 1.00 0.00 C ATOM 453 CG PRO A 45 4.889 -14.167 1.815 1.00 0.00 C ATOM 454 CD PRO A 45 4.237 -14.212 0.464 1.00 0.00 C ATOM 0 HA PRO A 45 3.009 -11.469 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.973 -12.586 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.385 -13.302 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.969 -14.047 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.716 -15.094 2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.902 -14.629 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.337 -14.827 0.470 1.00 0.00 H new ATOM 462 N THR A 46 4.671 -9.730 1.920 1.00 0.00 N ATOM 463 CA THR A 46 5.593 -8.605 1.956 1.00 0.00 C ATOM 464 C THR A 46 5.039 -7.470 2.819 1.00 0.00 C ATOM 465 O THR A 46 5.630 -7.114 3.838 1.00 0.00 O ATOM 466 CB THR A 46 5.895 -8.117 0.535 1.00 0.00 C ATOM 467 OG1 THR A 46 6.699 -6.947 0.562 1.00 0.00 O ATOM 468 CG2 THR A 46 4.656 -7.818 -0.283 1.00 0.00 C ATOM 0 H THR A 46 3.758 -9.540 2.334 1.00 0.00 H new ATOM 0 HA THR A 46 6.526 -8.940 2.409 1.00 0.00 H new ATOM 0 HB THR A 46 6.422 -8.943 0.058 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.868 -6.645 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.949 -7.478 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.052 -8.721 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.074 -7.039 0.210 1.00 0.00 H new ATOM 476 N VAL A 47 3.900 -6.908 2.418 1.00 0.00 N ATOM 477 CA VAL A 47 3.277 -5.824 3.172 1.00 0.00 C ATOM 478 C VAL A 47 1.808 -5.653 2.790 1.00 0.00 C ATOM 479 O VAL A 47 1.429 -5.856 1.638 1.00 0.00 O ATOM 480 CB VAL A 47 4.012 -4.480 2.977 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.831 -4.141 4.214 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.898 -4.511 1.740 1.00 0.00 C ATOM 0 H VAL A 47 3.392 -7.185 1.578 1.00 0.00 H new ATOM 0 HA VAL A 47 3.346 -6.106 4.223 1.00 0.00 H new ATOM 0 HB VAL A 47 3.262 -3.703 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.344 -3.191 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.170 -4.063 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.567 -4.926 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.402 -3.551 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.641 -5.301 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.286 -4.703 0.859 1.00 0.00 H new ATOM 492 N ILE A 48 0.990 -5.268 3.766 1.00 0.00 N ATOM 493 CA ILE A 48 -0.436 -5.055 3.536 1.00 0.00 C ATOM 494 C ILE A 48 -0.874 -3.710 4.087 1.00 0.00 C ATOM 495 O ILE A 48 -0.831 -3.501 5.298 1.00 0.00 O ATOM 496 CB ILE A 48 -1.333 -6.124 4.206 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.565 -7.400 4.553 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.522 -6.445 3.323 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.838 -7.869 5.966 1.00 0.00 C ATOM 0 H ILE A 48 1.291 -5.097 4.725 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.559 -5.111 2.454 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.687 -5.700 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.839 -8.188 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.504 -7.223 4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.143 -7.198 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.109 -5.541 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.171 -6.827 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.270 -8.778 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.539 -7.093 6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.902 -8.074 6.082 1.00 0.00 H new ATOM 511 N ILE A 49 -1.326 -2.818 3.212 1.00 0.00 N ATOM 512 CA ILE A 49 -1.805 -1.512 3.646 1.00 0.00 C ATOM 513 C ILE A 49 -2.999 -1.691 4.573 1.00 0.00 C ATOM 514 O ILE A 49 -4.136 -1.398 4.205 1.00 0.00 O ATOM 515 CB ILE A 49 -2.213 -0.629 2.447 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.009 -0.379 1.542 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.812 0.693 2.916 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.380 0.234 0.209 1.00 0.00 C ATOM 0 H ILE A 49 -1.370 -2.974 2.205 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.991 -1.013 4.172 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.977 -1.160 1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.308 0.280 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.491 -1.322 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.090 1.294 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.697 0.497 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.077 1.234 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.479 0.386 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.057 -0.434 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.871 1.193 0.374 1.00 0.00 H new ATOM 530 N ALA A 50 -2.733 -2.188 5.773 1.00 0.00 N ATOM 531 CA ALA A 50 -3.782 -2.423 6.746 1.00 0.00 C ATOM 532 C ALA A 50 -4.607 -1.160 6.961 1.00 0.00 C ATOM 533 O ALA A 50 -5.828 -1.216 7.105 1.00 0.00 O ATOM 534 CB ALA A 50 -3.179 -2.911 8.056 1.00 0.00 C ATOM 0 H ALA A 50 -1.797 -2.436 6.093 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.449 -3.196 6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.975 -3.085 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.637 -3.840 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.493 -2.158 8.444 1.00 0.00 H new ATOM 540 N ASN A 51 -3.927 -0.018 6.968 1.00 0.00 N ATOM 541 CA ASN A 51 -4.584 1.269 7.150 1.00 0.00 C ATOM 542 C ASN A 51 -4.002 2.315 6.210 1.00 0.00 C ATOM 543 O ASN A 51 -2.975 2.092 5.567 1.00 0.00 O ATOM 544 CB ASN A 51 -4.449 1.740 8.598 1.00 0.00 C ATOM 545 CG ASN A 51 -5.714 1.508 9.394 1.00 0.00 C ATOM 546 OD1 ASN A 51 -6.318 2.445 9.915 1.00 0.00 O ATOM 547 ND2 ASN A 51 -6.123 0.250 9.490 1.00 0.00 N ATOM 0 H ASN A 51 -2.916 0.041 6.849 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.641 1.141 6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.621 1.215 9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.203 2.802 8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.970 0.028 10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.590 -0.495 9.041 1.00 0.00 H new ATOM 554 N MET A 52 -4.672 3.456 6.133 1.00 0.00 N ATOM 555 CA MET A 52 -4.237 4.545 5.270 1.00 0.00 C ATOM 556 C MET A 52 -4.943 5.844 5.639 1.00 0.00 C ATOM 557 O MET A 52 -6.163 5.874 5.809 1.00 0.00 O ATOM 558 CB MET A 52 -4.507 4.194 3.813 1.00 0.00 C ATOM 559 CG MET A 52 -4.054 5.267 2.836 1.00 0.00 C ATOM 560 SD MET A 52 -5.373 5.818 1.737 1.00 0.00 S ATOM 561 CE MET A 52 -6.252 4.280 1.487 1.00 0.00 C ATOM 0 H MET A 52 -5.523 3.652 6.660 1.00 0.00 H new ATOM 0 HA MET A 52 -3.165 4.689 5.409 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.001 3.259 3.573 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.575 4.022 3.681 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.672 6.122 3.394 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.228 4.882 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.899 4.369 0.614 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.536 3.474 1.328 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.857 4.060 2.367 1.00 0.00 H new ATOM 571 N MET A 53 -4.171 6.918 5.764 1.00 0.00 N ATOM 572 CA MET A 53 -4.720 8.224 6.118 1.00 0.00 C ATOM 573 C MET A 53 -5.852 8.618 5.174 1.00 0.00 C ATOM 574 O MET A 53 -5.630 8.855 3.987 1.00 0.00 O ATOM 575 CB MET A 53 -3.621 9.288 6.090 1.00 0.00 C ATOM 576 CG MET A 53 -3.630 10.204 7.301 1.00 0.00 C ATOM 577 SD MET A 53 -1.972 10.601 7.888 1.00 0.00 S ATOM 578 CE MET A 53 -1.398 8.983 8.398 1.00 0.00 C ATOM 0 H MET A 53 -3.161 6.911 5.625 1.00 0.00 H new ATOM 0 HA MET A 53 -5.125 8.156 7.128 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.651 8.795 6.025 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.733 9.890 5.189 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.152 11.127 7.049 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.192 9.730 8.106 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.344 9.040 8.669 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.976 8.646 9.258 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.524 8.277 7.577 1.00 0.00 H new ATOM 588 N HIS A 54 -7.067 8.687 5.711 1.00 0.00 N ATOM 589 CA HIS A 54 -8.233 9.054 4.918 1.00 0.00 C ATOM 590 C HIS A 54 -8.149 10.511 4.471 1.00 0.00 C ATOM 591 O HIS A 54 -8.831 11.380 5.013 1.00 0.00 O ATOM 592 CB HIS A 54 -9.516 8.821 5.721 1.00 0.00 C ATOM 593 CG HIS A 54 -10.346 7.686 5.207 1.00 0.00 C ATOM 594 ND1 HIS A 54 -9.805 6.502 4.753 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.688 7.557 5.076 1.00 0.00 C ATOM 596 CE1 HIS A 54 -10.776 5.695 4.365 1.00 0.00 C ATOM 597 NE2 HIS A 54 -11.929 6.312 4.551 1.00 0.00 N ATOM 0 H HIS A 54 -7.268 8.493 6.692 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.253 8.423 4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.254 8.627 6.761 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.114 9.732 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -12.431 8.297 5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.649 4.700 3.964 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.849 5.926 4.339 1.00 0.00 H new ATOM 606 N GLY A 55 -7.304 10.768 3.479 1.00 0.00 N ATOM 607 CA GLY A 55 -7.141 12.119 2.972 1.00 0.00 C ATOM 608 C GLY A 55 -5.683 12.520 2.820 1.00 0.00 C ATOM 609 O GLY A 55 -5.383 13.604 2.322 1.00 0.00 O ATOM 0 H GLY A 55 -6.728 10.065 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.638 12.202 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.637 12.817 3.646 1.00 0.00 H new ATOM 613 N GLY A 56 -4.773 11.648 3.251 1.00 0.00 N ATOM 614 CA GLY A 56 -3.357 11.945 3.150 1.00 0.00 C ATOM 615 C GLY A 56 -2.797 11.661 1.767 1.00 0.00 C ATOM 616 O GLY A 56 -3.549 11.348 0.843 1.00 0.00 O ATOM 0 H GLY A 56 -4.993 10.743 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.191 12.994 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.812 11.354 3.887 1.00 0.00 H new ATOM 620 N PRO A 57 -1.468 11.765 1.594 1.00 0.00 N ATOM 621 CA PRO A 57 -0.813 11.516 0.304 1.00 0.00 C ATOM 622 C PRO A 57 -1.267 10.211 -0.344 1.00 0.00 C ATOM 623 O PRO A 57 -1.586 10.177 -1.531 1.00 0.00 O ATOM 624 CB PRO A 57 0.668 11.450 0.673 1.00 0.00 C ATOM 625 CG PRO A 57 0.791 12.305 1.886 1.00 0.00 C ATOM 626 CD PRO A 57 -0.498 12.136 2.642 1.00 0.00 C ATOM 0 HA PRO A 57 -1.051 12.285 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.981 10.426 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.296 11.820 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.643 12.000 2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.950 13.348 1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.417 11.362 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.789 13.056 3.150 1.00 0.00 H new ATOM 634 N ALA A 58 -1.293 9.139 0.441 1.00 0.00 N ATOM 635 CA ALA A 58 -1.707 7.838 -0.061 1.00 0.00 C ATOM 636 C ALA A 58 -3.121 7.896 -0.622 1.00 0.00 C ATOM 637 O ALA A 58 -3.379 7.436 -1.735 1.00 0.00 O ATOM 638 CB ALA A 58 -1.617 6.794 1.039 1.00 0.00 C ATOM 0 H ALA A 58 -1.032 9.148 1.427 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.032 7.555 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.930 5.826 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.589 6.727 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.268 7.079 1.865 1.00 0.00 H new ATOM 644 N GLU A 59 -4.036 8.470 0.153 1.00 0.00 N ATOM 645 CA GLU A 59 -5.422 8.595 -0.270 1.00 0.00 C ATOM 646 C GLU A 59 -5.552 9.604 -1.403 1.00 0.00 C ATOM 647 O GLU A 59 -6.467 9.525 -2.222 1.00 0.00 O ATOM 648 CB GLU A 59 -6.296 9.022 0.908 1.00 0.00 C ATOM 649 CG GLU A 59 -7.772 9.097 0.564 1.00 0.00 C ATOM 650 CD GLU A 59 -8.646 8.387 1.579 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.399 7.191 1.842 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.578 9.026 2.112 1.00 0.00 O ATOM 0 H GLU A 59 -3.840 8.855 1.077 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.757 7.623 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.157 8.318 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.963 9.997 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.073 10.143 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.934 8.657 -0.420 1.00 0.00 H new ATOM 659 N LYS A 60 -4.629 10.554 -1.434 1.00 0.00 N ATOM 660 CA LYS A 60 -4.625 11.593 -2.453 1.00 0.00 C ATOM 661 C LYS A 60 -4.434 10.995 -3.842 1.00 0.00 C ATOM 662 O LYS A 60 -5.175 11.313 -4.773 1.00 0.00 O ATOM 663 CB LYS A 60 -3.520 12.612 -2.169 1.00 0.00 C ATOM 664 CG LYS A 60 -3.962 13.749 -1.262 1.00 0.00 C ATOM 665 CD LYS A 60 -2.893 14.825 -1.155 1.00 0.00 C ATOM 666 CE LYS A 60 -2.092 14.692 0.131 1.00 0.00 C ATOM 667 NZ LYS A 60 -1.938 16.000 0.826 1.00 0.00 N ATOM 0 H LYS A 60 -3.867 10.626 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.591 12.096 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.674 12.100 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.168 13.027 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.883 14.187 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.186 13.358 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.222 14.758 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.361 15.809 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.587 13.984 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.107 14.283 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.386 15.867 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.443 16.669 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.877 16.379 1.065 1.00 0.00 H new ATOM 681 N SER A 61 -3.437 10.127 -3.975 1.00 0.00 N ATOM 682 CA SER A 61 -3.145 9.482 -5.247 1.00 0.00 C ATOM 683 C SER A 61 -4.367 8.749 -5.787 1.00 0.00 C ATOM 684 O SER A 61 -4.560 8.651 -6.999 1.00 0.00 O ATOM 685 CB SER A 61 -1.983 8.502 -5.086 1.00 0.00 C ATOM 686 OG SER A 61 -0.756 9.191 -4.939 1.00 0.00 O ATOM 0 H SER A 61 -2.816 9.854 -3.213 1.00 0.00 H new ATOM 0 HA SER A 61 -2.868 10.258 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.155 7.868 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.934 7.845 -5.954 1.00 0.00 H new ATOM 0 HG SER A 61 -0.233 9.107 -5.763 1.00 0.00 H new ATOM 692 N GLY A 62 -5.189 8.231 -4.880 1.00 0.00 N ATOM 693 CA GLY A 62 -6.378 7.506 -5.285 1.00 0.00 C ATOM 694 C GLY A 62 -6.064 6.105 -5.783 1.00 0.00 C ATOM 695 O GLY A 62 -6.956 5.393 -6.245 1.00 0.00 O ATOM 0 H GLY A 62 -5.052 8.301 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.066 7.443 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.888 8.062 -6.072 1.00 0.00 H new ATOM 699 N LYS A 63 -4.797 5.708 -5.690 1.00 0.00 N ATOM 700 CA LYS A 63 -4.374 4.385 -6.133 1.00 0.00 C ATOM 701 C LYS A 63 -4.280 3.426 -4.954 1.00 0.00 C ATOM 702 O LYS A 63 -4.909 2.367 -4.946 1.00 0.00 O ATOM 703 CB LYS A 63 -3.017 4.456 -6.838 1.00 0.00 C ATOM 704 CG LYS A 63 -2.784 5.746 -7.606 1.00 0.00 C ATOM 705 CD LYS A 63 -3.606 5.793 -8.883 1.00 0.00 C ATOM 706 CE LYS A 63 -3.956 7.221 -9.261 1.00 0.00 C ATOM 707 NZ LYS A 63 -3.993 7.412 -10.738 1.00 0.00 N ATOM 0 H LYS A 63 -4.046 6.285 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.122 4.017 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.227 4.340 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.933 3.615 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.041 6.597 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.726 5.839 -7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.048 5.326 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.521 5.215 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.926 7.481 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.224 7.902 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.235 8.400 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.060 7.188 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.709 6.781 -11.152 1.00 0.00 H new ATOM 721 N LEU A 64 -3.483 3.802 -3.960 1.00 0.00 N ATOM 722 CA LEU A 64 -3.296 2.974 -2.778 1.00 0.00 C ATOM 723 C LEU A 64 -4.536 2.984 -1.895 1.00 0.00 C ATOM 724 O LEU A 64 -4.991 4.037 -1.449 1.00 0.00 O ATOM 725 CB LEU A 64 -2.084 3.452 -1.974 1.00 0.00 C ATOM 726 CG LEU A 64 -0.739 2.873 -2.418 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.367 3.312 -1.472 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.803 1.353 -2.495 1.00 0.00 C ATOM 0 H LEU A 64 -2.957 4.676 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.122 1.952 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.032 4.539 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.241 3.200 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.515 3.255 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.317 2.891 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.433 4.400 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.145 2.960 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.164 0.964 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.052 0.949 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.567 1.057 -3.214 1.00 0.00 H new ATOM 740 N ASN A 65 -5.075 1.798 -1.643 1.00 0.00 N ATOM 741 CA ASN A 65 -6.261 1.652 -0.808 1.00 0.00 C ATOM 742 C ASN A 65 -6.044 0.562 0.234 1.00 0.00 C ATOM 743 O ASN A 65 -5.519 -0.506 -0.082 1.00 0.00 O ATOM 744 CB ASN A 65 -7.485 1.317 -1.665 1.00 0.00 C ATOM 745 CG ASN A 65 -7.484 2.041 -2.999 1.00 0.00 C ATOM 746 OD1 ASN A 65 -7.117 1.329 -4.057 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -7.809 3.226 -3.075 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.708 0.919 -2.007 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.439 2.599 -0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.517 0.242 -1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.390 1.578 -1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.084 3.734 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.803 3.700 -3.978 1.00 0.00 H new ATOM 754 N ILE A 66 -6.443 0.839 1.476 1.00 0.00 N ATOM 755 CA ILE A 66 -6.294 -0.115 2.571 1.00 0.00 C ATOM 756 C ILE A 66 -6.490 -1.556 2.094 1.00 0.00 C ATOM 757 O ILE A 66 -7.568 -1.929 1.632 1.00 0.00 O ATOM 758 CB ILE A 66 -7.281 0.204 3.709 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.760 1.396 4.508 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.485 -1.003 4.615 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.586 1.714 5.726 1.00 0.00 C ATOM 0 H ILE A 66 -6.874 1.723 1.748 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.276 -0.020 2.948 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.250 0.454 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.734 1.195 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.731 2.272 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.187 -0.747 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.884 -1.833 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.531 -1.294 5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.156 2.572 6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.607 1.947 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.594 0.853 6.395 1.00 0.00 H new ATOM 773 N GLY A 67 -5.429 -2.349 2.195 1.00 0.00 N ATOM 774 CA GLY A 67 -5.484 -3.732 1.759 1.00 0.00 C ATOM 775 C GLY A 67 -4.651 -3.972 0.513 1.00 0.00 C ATOM 776 O GLY A 67 -4.594 -5.090 0.001 1.00 0.00 O ATOM 0 H GLY A 67 -4.528 -2.057 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.130 -4.379 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.520 -4.008 1.561 1.00 0.00 H new ATOM 780 N ASP A 68 -3.998 -2.917 0.026 1.00 0.00 N ATOM 781 CA ASP A 68 -3.159 -3.011 -1.161 1.00 0.00 C ATOM 782 C ASP A 68 -1.813 -3.639 -0.818 1.00 0.00 C ATOM 783 O ASP A 68 -1.019 -3.065 -0.074 1.00 0.00 O ATOM 784 CB ASP A 68 -2.969 -1.624 -1.776 1.00 0.00 C ATOM 785 CG ASP A 68 -3.986 -1.334 -2.864 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.551 -2.298 -3.423 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.215 -0.142 -3.160 1.00 0.00 O ATOM 0 H ASP A 68 -4.037 -1.985 0.440 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.653 -3.652 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.050 -0.868 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.964 -1.547 -2.191 1.00 0.00 H new ATOM 792 N GLN A 69 -1.571 -4.832 -1.356 1.00 0.00 N ATOM 793 CA GLN A 69 -0.329 -5.548 -1.095 1.00 0.00 C ATOM 794 C GLN A 69 0.850 -4.872 -1.784 1.00 0.00 C ATOM 795 O GLN A 69 1.298 -5.308 -2.843 1.00 0.00 O ATOM 796 CB GLN A 69 -0.448 -7.002 -1.556 1.00 0.00 C ATOM 797 CG GLN A 69 0.107 -8.003 -0.555 1.00 0.00 C ATOM 798 CD GLN A 69 1.219 -8.853 -1.135 1.00 0.00 C ATOM 799 OE1 GLN A 69 2.255 -8.339 -1.559 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.009 -10.163 -1.157 1.00 0.00 N ATOM 0 H GLN A 69 -2.219 -5.321 -1.974 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.149 -5.530 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.497 -7.231 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.078 -7.119 -2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.481 -7.468 0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.699 -8.651 -0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.136 -10.546 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.721 -10.787 -1.536 1.00 0.00 H new ATOM 809 N ILE A 70 1.349 -3.805 -1.171 1.00 0.00 N ATOM 810 CA ILE A 70 2.478 -3.062 -1.720 1.00 0.00 C ATOM 811 C ILE A 70 3.665 -3.987 -1.980 1.00 0.00 C ATOM 812 O ILE A 70 3.885 -4.948 -1.242 1.00 0.00 O ATOM 813 CB ILE A 70 2.909 -1.920 -0.779 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.670 -1.197 -0.224 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.829 -0.949 -1.511 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.953 0.195 0.301 1.00 0.00 C ATOM 0 H ILE A 70 0.989 -3.434 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 70 2.150 -2.629 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 70 3.463 -2.341 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.918 -1.132 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.241 -1.797 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.125 -0.148 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.717 -1.479 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.304 -0.525 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.030 0.638 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.681 0.138 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.352 0.813 -0.503 1.00 0.00 H new ATOM 828 N MET A 71 4.416 -3.707 -3.043 1.00 0.00 N ATOM 829 CA MET A 71 5.563 -4.533 -3.404 1.00 0.00 C ATOM 830 C MET A 71 6.884 -3.790 -3.227 1.00 0.00 C ATOM 831 O MET A 71 7.876 -4.374 -2.788 1.00 0.00 O ATOM 832 CB MET A 71 5.432 -5.011 -4.852 1.00 0.00 C ATOM 833 CG MET A 71 6.222 -6.274 -5.150 1.00 0.00 C ATOM 834 SD MET A 71 5.165 -7.701 -5.469 1.00 0.00 S ATOM 835 CE MET A 71 4.622 -8.095 -3.809 1.00 0.00 C ATOM 0 H MET A 71 4.251 -2.917 -3.667 1.00 0.00 H new ATOM 0 HA MET A 71 5.570 -5.390 -2.730 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.380 -5.190 -5.073 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.767 -4.217 -5.520 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.862 -6.101 -6.015 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.878 -6.494 -4.308 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.746 -8.742 -3.857 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.423 -8.607 -3.276 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.365 -7.176 -3.282 1.00 0.00 H new ATOM 845 N SER A 72 6.909 -2.506 -3.579 1.00 0.00 N ATOM 846 CA SER A 72 8.132 -1.718 -3.456 1.00 0.00 C ATOM 847 C SER A 72 7.832 -0.225 -3.417 1.00 0.00 C ATOM 848 O SER A 72 6.790 0.220 -3.894 1.00 0.00 O ATOM 849 CB SER A 72 9.074 -2.026 -4.622 1.00 0.00 C ATOM 850 OG SER A 72 8.614 -1.424 -5.820 1.00 0.00 O ATOM 0 H SER A 72 6.107 -1.995 -3.947 1.00 0.00 H new ATOM 0 HA SER A 72 8.612 -1.992 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.076 -1.664 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.149 -3.105 -4.758 1.00 0.00 H new ATOM 0 HG SER A 72 9.233 -1.634 -6.550 1.00 0.00 H new ATOM 856 N ILE A 73 8.756 0.542 -2.846 1.00 0.00 N ATOM 857 CA ILE A 73 8.598 1.987 -2.742 1.00 0.00 C ATOM 858 C ILE A 73 9.777 2.723 -3.372 1.00 0.00 C ATOM 859 O ILE A 73 10.923 2.542 -2.964 1.00 0.00 O ATOM 860 CB ILE A 73 8.451 2.427 -1.279 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.305 1.662 -0.623 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.214 3.930 -1.191 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.564 1.327 0.824 1.00 0.00 C ATOM 0 H ILE A 73 9.624 0.185 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 73 7.689 2.245 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 73 9.376 2.201 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.393 2.255 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.129 0.740 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.112 4.222 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.058 4.458 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.302 4.187 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.711 0.784 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.458 0.708 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.711 2.247 1.390 1.00 0.00 H new ATOM 875 N ASN A 74 9.484 3.556 -4.368 1.00 0.00 N ATOM 876 CA ASN A 74 10.519 4.324 -5.055 1.00 0.00 C ATOM 877 C ASN A 74 11.651 3.420 -5.534 1.00 0.00 C ATOM 878 O ASN A 74 12.788 3.864 -5.693 1.00 0.00 O ATOM 879 CB ASN A 74 11.080 5.406 -4.130 1.00 0.00 C ATOM 880 CG ASN A 74 10.142 6.588 -3.988 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.785 7.236 -4.972 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.739 6.879 -2.756 1.00 0.00 N ATOM 0 H ASN A 74 8.539 3.716 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 74 10.062 4.794 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.270 4.976 -3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.038 5.751 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.109 7.666 -2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.059 6.316 -1.968 1.00 0.00 H new ATOM 889 N GLY A 75 11.333 2.149 -5.760 1.00 0.00 N ATOM 890 CA GLY A 75 12.336 1.206 -6.217 1.00 0.00 C ATOM 891 C GLY A 75 12.907 0.369 -5.087 1.00 0.00 C ATOM 892 O GLY A 75 13.970 -0.234 -5.233 1.00 0.00 O ATOM 0 H GLY A 75 10.400 1.756 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.896 0.547 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.144 1.749 -6.706 1.00 0.00 H new ATOM 896 N THR A 76 12.199 0.326 -3.961 1.00 0.00 N ATOM 897 CA THR A 76 12.646 -0.450 -2.810 1.00 0.00 C ATOM 898 C THR A 76 11.737 -1.654 -2.587 1.00 0.00 C ATOM 899 O THR A 76 10.691 -1.542 -1.949 1.00 0.00 O ATOM 900 CB THR A 76 12.672 0.423 -1.559 1.00 0.00 C ATOM 901 OG1 THR A 76 13.369 1.631 -1.804 1.00 0.00 O ATOM 902 CG2 THR A 76 13.322 -0.251 -0.370 1.00 0.00 C ATOM 0 H THR A 76 11.316 0.818 -3.822 1.00 0.00 H new ATOM 0 HA THR A 76 13.655 -0.809 -3.012 1.00 0.00 H new ATOM 0 HB THR A 76 11.626 0.613 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.773 2.268 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.307 0.425 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.774 -1.161 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.354 -0.504 -0.614 1.00 0.00 H new ATOM 910 N SER A 77 12.141 -2.800 -3.123 1.00 0.00 N ATOM 911 CA SER A 77 11.361 -4.024 -2.989 1.00 0.00 C ATOM 912 C SER A 77 11.162 -4.393 -1.522 1.00 0.00 C ATOM 913 O SER A 77 12.119 -4.462 -0.753 1.00 0.00 O ATOM 914 CB SER A 77 12.048 -5.175 -3.728 1.00 0.00 C ATOM 915 OG SER A 77 11.107 -5.946 -4.457 1.00 0.00 O ATOM 0 H SER A 77 13.005 -2.907 -3.655 1.00 0.00 H new ATOM 0 HA SER A 77 10.381 -3.847 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.801 -4.777 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.569 -5.812 -3.013 1.00 0.00 H new ATOM 0 HG SER A 77 11.570 -6.674 -4.922 1.00 0.00 H new ATOM 921 N LEU A 78 9.910 -4.632 -1.146 1.00 0.00 N ATOM 922 CA LEU A 78 9.580 -4.998 0.226 1.00 0.00 C ATOM 923 C LEU A 78 9.414 -6.509 0.372 1.00 0.00 C ATOM 924 O LEU A 78 9.295 -7.024 1.484 1.00 0.00 O ATOM 925 CB LEU A 78 8.301 -4.289 0.669 1.00 0.00 C ATOM 926 CG LEU A 78 8.322 -2.766 0.523 1.00 0.00 C ATOM 927 CD1 LEU A 78 7.109 -2.150 1.202 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.607 -2.191 1.098 1.00 0.00 C ATOM 0 H LEU A 78 9.107 -4.579 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 78 10.406 -4.683 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.466 -4.683 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.109 -4.536 1.713 1.00 0.00 H new ATOM 0 HG LEU A 78 8.283 -2.521 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.140 -1.066 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.199 -2.537 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.117 -2.404 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.603 -1.107 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.678 -2.445 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.462 -2.608 0.566 1.00 0.00 H new ATOM 940 N VAL A 79 9.406 -7.215 -0.755 1.00 0.00 N ATOM 941 CA VAL A 79 9.253 -8.664 -0.745 1.00 0.00 C ATOM 942 C VAL A 79 10.371 -9.330 0.050 1.00 0.00 C ATOM 943 O VAL A 79 11.521 -9.361 -0.386 1.00 0.00 O ATOM 944 CB VAL A 79 9.245 -9.236 -2.175 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.833 -10.698 -2.163 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.324 -8.421 -3.073 1.00 0.00 C ATOM 0 H VAL A 79 9.504 -6.807 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 79 8.296 -8.878 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 79 10.256 -9.171 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.833 -11.084 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.537 -11.269 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.833 -10.791 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.332 -8.841 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.309 -8.450 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.671 -7.388 -3.108 1.00 0.00 H new ATOM 956 N GLY A 80 10.023 -9.867 1.215 1.00 0.00 N ATOM 957 CA GLY A 80 11.012 -10.530 2.045 1.00 0.00 C ATOM 958 C GLY A 80 11.465 -9.681 3.218 1.00 0.00 C ATOM 959 O GLY A 80 11.879 -10.213 4.248 1.00 0.00 O ATOM 0 H GLY A 80 9.078 -9.855 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.596 -11.465 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.877 -10.788 1.434 1.00 0.00 H new ATOM 963 N LEU A 81 11.391 -8.362 3.068 1.00 0.00 N ATOM 964 CA LEU A 81 11.804 -7.455 4.135 1.00 0.00 C ATOM 965 C LEU A 81 10.800 -7.481 5.285 1.00 0.00 C ATOM 966 O LEU A 81 9.592 -7.526 5.060 1.00 0.00 O ATOM 967 CB LEU A 81 11.950 -6.021 3.609 1.00 0.00 C ATOM 968 CG LEU A 81 12.396 -5.889 2.149 1.00 0.00 C ATOM 969 CD1 LEU A 81 12.890 -4.477 1.873 1.00 0.00 C ATOM 970 CD2 LEU A 81 13.479 -6.906 1.817 1.00 0.00 C ATOM 0 H LEU A 81 11.052 -7.899 2.225 1.00 0.00 H new ATOM 0 HA LEU A 81 12.773 -7.795 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.993 -5.513 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.668 -5.495 4.238 1.00 0.00 H new ATOM 0 HG LEU A 81 11.536 -6.090 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.204 -4.398 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.086 -3.766 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.735 -4.253 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.778 -6.792 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.342 -6.742 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.093 -7.913 1.975 1.00 0.00 H new ATOM 982 N PRO A 82 11.287 -7.449 6.539 1.00 0.00 N ATOM 983 CA PRO A 82 10.417 -7.465 7.718 1.00 0.00 C ATOM 984 C PRO A 82 9.596 -6.188 7.835 1.00 0.00 C ATOM 985 O PRO A 82 9.708 -5.289 7.000 1.00 0.00 O ATOM 986 CB PRO A 82 11.397 -7.583 8.888 1.00 0.00 C ATOM 987 CG PRO A 82 12.681 -7.040 8.366 1.00 0.00 C ATOM 988 CD PRO A 82 12.713 -7.389 6.904 1.00 0.00 C ATOM 0 HA PRO A 82 9.689 -8.275 7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.051 -7.017 9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.507 -8.619 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.736 -5.961 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.531 -7.476 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.246 -6.637 6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.214 -8.341 6.729 1.00 0.00 H new ATOM 996 N LEU A 83 8.771 -6.110 8.870 1.00 0.00 N ATOM 997 CA LEU A 83 7.933 -4.937 9.087 1.00 0.00 C ATOM 998 C LEU A 83 8.781 -3.715 9.415 1.00 0.00 C ATOM 999 O LEU A 83 8.511 -2.612 8.937 1.00 0.00 O ATOM 1000 CB LEU A 83 6.934 -5.194 10.212 1.00 0.00 C ATOM 1001 CG LEU A 83 5.872 -4.108 10.381 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.880 -4.154 9.230 1.00 0.00 C ATOM 1003 CD2 LEU A 83 5.158 -4.262 11.714 1.00 0.00 C ATOM 0 H LEU A 83 8.664 -6.843 9.571 1.00 0.00 H new ATOM 0 HA LEU A 83 7.386 -4.741 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.435 -6.145 10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.481 -5.298 11.149 1.00 0.00 H new ATOM 0 HG LEU A 83 6.365 -3.136 10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.130 -3.375 9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.406 -3.992 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.391 -5.128 9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.406 -3.480 11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.675 -5.238 11.757 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.881 -4.178 12.526 1.00 0.00 H new ATOM 1015 N SER A 84 9.808 -3.916 10.235 1.00 0.00 N ATOM 1016 CA SER A 84 10.697 -2.827 10.628 1.00 0.00 C ATOM 1017 C SER A 84 11.258 -2.114 9.402 1.00 0.00 C ATOM 1018 O SER A 84 11.438 -0.897 9.405 1.00 0.00 O ATOM 1019 CB SER A 84 11.843 -3.362 11.490 1.00 0.00 C ATOM 1020 OG SER A 84 11.383 -3.731 12.778 1.00 0.00 O ATOM 0 H SER A 84 10.045 -4.822 10.640 1.00 0.00 H new ATOM 0 HA SER A 84 10.118 -2.110 11.210 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.297 -4.224 11.002 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.619 -2.602 11.581 1.00 0.00 H new ATOM 0 HG SER A 84 12.134 -4.071 13.308 1.00 0.00 H new ATOM 1026 N THR A 85 11.529 -2.884 8.352 1.00 0.00 N ATOM 1027 CA THR A 85 12.065 -2.329 7.118 1.00 0.00 C ATOM 1028 C THR A 85 11.012 -1.501 6.388 1.00 0.00 C ATOM 1029 O THR A 85 11.238 -0.336 6.074 1.00 0.00 O ATOM 1030 CB THR A 85 12.569 -3.446 6.209 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.249 -4.437 6.959 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.510 -2.962 5.127 1.00 0.00 C ATOM 0 H THR A 85 11.385 -3.894 8.333 1.00 0.00 H new ATOM 0 HA THR A 85 12.898 -1.676 7.377 1.00 0.00 H new ATOM 0 HB THR A 85 11.676 -3.854 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.071 -4.694 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.830 -3.807 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.997 -2.235 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.382 -2.495 5.585 1.00 0.00 H new ATOM 1040 N CYS A 86 9.859 -2.110 6.129 1.00 0.00 N ATOM 1041 CA CYS A 86 8.771 -1.423 5.438 1.00 0.00 C ATOM 1042 C CYS A 86 8.365 -0.159 6.188 1.00 0.00 C ATOM 1043 O CYS A 86 8.371 0.934 5.622 1.00 0.00 O ATOM 1044 CB CYS A 86 7.567 -2.355 5.286 1.00 0.00 C ATOM 1045 SG CYS A 86 7.981 -3.991 4.631 1.00 0.00 S ATOM 0 H CYS A 86 9.653 -3.075 6.386 1.00 0.00 H new ATOM 0 HA CYS A 86 9.124 -1.136 4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.088 -2.475 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.837 -1.885 4.627 1.00 0.00 H new ATOM 0 HG CYS A 86 8.677 -4.647 5.511 1.00 0.00 H new ATOM 1051 N GLN A 87 8.026 -0.308 7.465 1.00 0.00 N ATOM 1052 CA GLN A 87 7.631 0.823 8.288 1.00 0.00 C ATOM 1053 C GLN A 87 8.638 1.957 8.168 1.00 0.00 C ATOM 1054 O GLN A 87 8.285 3.095 7.854 1.00 0.00 O ATOM 1055 CB GLN A 87 7.534 0.374 9.741 1.00 0.00 C ATOM 1056 CG GLN A 87 6.130 0.424 10.289 1.00 0.00 C ATOM 1057 CD GLN A 87 5.325 -0.817 9.962 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.885 -1.539 10.856 1.00 0.00 O ATOM 1059 NE2 GLN A 87 5.129 -1.071 8.674 1.00 0.00 N ATOM 0 H GLN A 87 8.018 -1.205 7.951 1.00 0.00 H new ATOM 0 HA GLN A 87 6.663 1.187 7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.913 -0.644 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.178 1.006 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.172 0.549 11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.619 1.299 9.887 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.513 -0.444 7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.595 -1.893 8.392 1.00 0.00 H new ATOM 1068 N SER A 88 9.894 1.629 8.425 1.00 0.00 N ATOM 1069 CA SER A 88 10.976 2.603 8.354 1.00 0.00 C ATOM 1070 C SER A 88 10.988 3.320 7.006 1.00 0.00 C ATOM 1071 O SER A 88 11.260 4.518 6.936 1.00 0.00 O ATOM 1072 CB SER A 88 12.323 1.921 8.599 1.00 0.00 C ATOM 1073 OG SER A 88 13.394 2.714 8.115 1.00 0.00 O ATOM 0 H SER A 88 10.193 0.689 8.687 1.00 0.00 H new ATOM 0 HA SER A 88 10.807 3.347 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.454 1.741 9.666 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.336 0.948 8.107 1.00 0.00 H new ATOM 0 HG SER A 88 14.243 2.256 8.286 1.00 0.00 H new ATOM 1079 N ILE A 89 10.680 2.588 5.936 1.00 0.00 N ATOM 1080 CA ILE A 89 10.648 3.171 4.608 1.00 0.00 C ATOM 1081 C ILE A 89 9.556 4.225 4.540 1.00 0.00 C ATOM 1082 O ILE A 89 9.776 5.333 4.056 1.00 0.00 O ATOM 1083 CB ILE A 89 10.416 2.090 3.528 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.661 1.205 3.407 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.067 2.724 2.186 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.702 0.357 2.152 1.00 0.00 C ATOM 0 H ILE A 89 10.451 1.595 5.969 1.00 0.00 H new ATOM 0 HA ILE A 89 11.614 3.636 4.412 1.00 0.00 H new ATOM 0 HB ILE A 89 9.571 1.471 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.547 1.839 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.713 0.550 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.909 1.941 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.157 3.316 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.885 3.369 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.615 -0.238 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.837 -0.305 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.684 1.004 1.275 1.00 0.00 H new ATOM 1098 N ILE A 90 8.383 3.879 5.055 1.00 0.00 N ATOM 1099 CA ILE A 90 7.261 4.802 5.074 1.00 0.00 C ATOM 1100 C ILE A 90 7.617 6.047 5.870 1.00 0.00 C ATOM 1101 O ILE A 90 7.232 7.162 5.515 1.00 0.00 O ATOM 1102 CB ILE A 90 6.011 4.160 5.692 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.788 2.771 5.089 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.801 5.060 5.481 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.402 2.207 5.329 1.00 0.00 C ATOM 0 H ILE A 90 8.186 2.966 5.464 1.00 0.00 H new ATOM 0 HA ILE A 90 7.043 5.068 4.039 1.00 0.00 H new ATOM 0 HB ILE A 90 6.156 4.043 6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.968 2.820 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.525 2.084 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.920 4.595 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.978 6.025 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.637 5.205 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.326 1.221 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.224 2.123 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.658 2.871 4.889 1.00 0.00 H new ATOM 1117 N LYS A 91 8.365 5.844 6.951 1.00 0.00 N ATOM 1118 CA LYS A 91 8.789 6.942 7.804 1.00 0.00 C ATOM 1119 C LYS A 91 9.849 7.780 7.100 1.00 0.00 C ATOM 1120 O LYS A 91 9.891 9.001 7.246 1.00 0.00 O ATOM 1121 CB LYS A 91 9.335 6.399 9.129 1.00 0.00 C ATOM 1122 CG LYS A 91 8.503 6.796 10.338 1.00 0.00 C ATOM 1123 CD LYS A 91 7.916 5.582 11.040 1.00 0.00 C ATOM 1124 CE LYS A 91 6.875 4.886 10.176 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.488 5.186 10.627 1.00 0.00 N ATOM 0 H LYS A 91 8.689 4.926 7.255 1.00 0.00 H new ATOM 0 HA LYS A 91 7.927 7.576 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.385 5.312 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.355 6.758 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.123 7.357 11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.697 7.459 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.714 4.881 11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.462 5.890 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.995 5.200 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.041 3.809 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.809 4.693 10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.365 4.864 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.320 6.211 10.576 1.00 0.00 H new ATOM 1139 N GLY A 92 10.701 7.110 6.330 1.00 0.00 N ATOM 1140 CA GLY A 92 11.748 7.801 5.602 1.00 0.00 C ATOM 1141 C GLY A 92 11.221 8.536 4.383 1.00 0.00 C ATOM 1142 O GLY A 92 11.954 9.293 3.745 1.00 0.00 O ATOM 0 H GLY A 92 10.684 6.099 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.240 8.512 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.504 7.081 5.289 1.00 0.00 H new ATOM 1146 N LEU A 93 9.947 8.321 4.061 1.00 0.00 N ATOM 1147 CA LEU A 93 9.326 8.973 2.914 1.00 0.00 C ATOM 1148 C LEU A 93 8.650 10.271 3.334 1.00 0.00 C ATOM 1149 O LEU A 93 7.543 10.582 2.891 1.00 0.00 O ATOM 1150 CB LEU A 93 8.303 8.042 2.265 1.00 0.00 C ATOM 1151 CG LEU A 93 8.895 6.834 1.543 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.788 5.909 1.067 1.00 0.00 C ATOM 1153 CD2 LEU A 93 9.758 7.286 0.372 1.00 0.00 C ATOM 0 H LEU A 93 9.326 7.700 4.579 1.00 0.00 H new ATOM 0 HA LEU A 93 10.107 9.205 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.618 7.686 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.711 8.617 1.553 1.00 0.00 H new ATOM 0 HG LEU A 93 9.526 6.285 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.225 5.052 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.210 5.563 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.134 6.447 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.173 6.413 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.149 7.856 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.570 7.913 0.739 1.00 0.00 H new ATOM 1165 N LYS A 94 9.319 11.020 4.198 1.00 0.00 N ATOM 1166 CA LYS A 94 8.792 12.275 4.691 1.00 0.00 C ATOM 1167 C LYS A 94 9.103 13.421 3.739 1.00 0.00 C ATOM 1168 O LYS A 94 8.226 14.216 3.408 1.00 0.00 O ATOM 1169 CB LYS A 94 9.365 12.579 6.075 1.00 0.00 C ATOM 1170 CG LYS A 94 8.438 12.190 7.213 1.00 0.00 C ATOM 1171 CD LYS A 94 8.524 13.177 8.368 1.00 0.00 C ATOM 1172 CE LYS A 94 7.144 13.620 8.823 1.00 0.00 C ATOM 1173 NZ LYS A 94 7.214 14.569 9.967 1.00 0.00 N ATOM 0 H LYS A 94 10.235 10.774 4.572 1.00 0.00 H new ATOM 0 HA LYS A 94 7.709 12.177 4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.312 12.051 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.584 13.645 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.412 12.145 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.695 11.192 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.054 12.717 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.105 14.047 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.622 14.093 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.559 12.747 9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.252 14.847 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.689 14.110 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.750 15.414 9.685 1.00 0.00 H new ATOM 1187 N ASN A 95 10.358 13.517 3.316 1.00 0.00 N ATOM 1188 CA ASN A 95 10.770 14.592 2.424 1.00 0.00 C ATOM 1189 C ASN A 95 11.246 14.068 1.069 1.00 0.00 C ATOM 1190 O ASN A 95 12.396 14.277 0.681 1.00 0.00 O ATOM 1191 CB ASN A 95 11.878 15.420 3.082 1.00 0.00 C ATOM 1192 CG ASN A 95 11.482 15.931 4.454 1.00 0.00 C ATOM 1193 OD1 ASN A 95 11.094 17.088 4.611 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.578 15.065 5.457 1.00 0.00 N ATOM 0 H ASN A 95 11.102 12.869 3.574 1.00 0.00 H new ATOM 0 HA ASN A 95 9.897 15.219 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.778 14.812 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.126 16.265 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.325 15.350 6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.905 14.115 5.281 1.00 0.00 H new ATOM 1201 N GLN A 96 10.351 13.405 0.345 1.00 0.00 N ATOM 1202 CA GLN A 96 10.680 12.876 -0.977 1.00 0.00 C ATOM 1203 C GLN A 96 9.983 13.691 -2.057 1.00 0.00 C ATOM 1204 O GLN A 96 10.534 13.917 -3.134 1.00 0.00 O ATOM 1205 CB GLN A 96 10.265 11.407 -1.108 1.00 0.00 C ATOM 1206 CG GLN A 96 10.254 10.649 0.204 1.00 0.00 C ATOM 1207 CD GLN A 96 11.650 10.302 0.684 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.093 10.966 1.745 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 12.322 9.446 0.111 1.00 0.00 N flip ATOM 0 H GLN A 96 9.395 13.221 0.648 1.00 0.00 H new ATOM 0 HA GLN A 96 11.761 12.946 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.270 11.360 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.946 10.908 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.751 11.249 0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.675 9.733 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.943 8.959 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.258 9.223 0.448 1.00 0.00 H new ATOM 1218 N SER A 97 8.756 14.116 -1.749 1.00 0.00 N ATOM 1219 CA SER A 97 7.932 14.909 -2.669 1.00 0.00 C ATOM 1220 C SER A 97 7.049 14.013 -3.532 1.00 0.00 C ATOM 1221 O SER A 97 6.054 14.467 -4.096 1.00 0.00 O ATOM 1222 CB SER A 97 8.793 15.815 -3.556 1.00 0.00 C ATOM 1223 OG SER A 97 8.010 16.825 -4.166 1.00 0.00 O ATOM 0 H SER A 97 8.304 13.921 -0.856 1.00 0.00 H new ATOM 0 HA SER A 97 7.289 15.542 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.580 16.273 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.283 15.217 -4.324 1.00 0.00 H new ATOM 0 HG SER A 97 8.591 17.560 -4.453 1.00 0.00 H new ATOM 1229 N ARG A 98 7.408 12.738 -3.614 1.00 0.00 N ATOM 1230 CA ARG A 98 6.645 11.775 -4.384 1.00 0.00 C ATOM 1231 C ARG A 98 7.136 10.360 -4.116 1.00 0.00 C ATOM 1232 O ARG A 98 8.298 10.153 -3.765 1.00 0.00 O ATOM 1233 CB ARG A 98 6.695 12.086 -5.865 1.00 0.00 C ATOM 1234 CG ARG A 98 8.082 12.329 -6.408 1.00 0.00 C ATOM 1235 CD ARG A 98 8.105 13.589 -7.249 1.00 0.00 C ATOM 1236 NE ARG A 98 8.781 14.696 -6.576 1.00 0.00 N ATOM 1237 CZ ARG A 98 10.065 15.004 -6.754 1.00 0.00 C ATOM 1238 NH1 ARG A 98 10.834 14.263 -7.545 1.00 0.00 N ATOM 1239 NH2 ARG A 98 10.588 16.053 -6.132 1.00 0.00 N ATOM 0 H ARG A 98 8.230 12.349 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 98 5.605 11.846 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.244 11.258 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.083 12.967 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.791 12.420 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.399 11.477 -7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.606 13.382 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.083 13.882 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 98 8.237 15.268 -5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.442 13.451 -8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.816 14.506 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.007 16.623 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.571 16.289 -6.268 1.00 0.00 H new ATOM 1253 N VAL A 99 6.240 9.392 -4.253 1.00 0.00 N ATOM 1254 CA VAL A 99 6.584 8.000 -3.989 1.00 0.00 C ATOM 1255 C VAL A 99 6.142 7.060 -5.106 1.00 0.00 C ATOM 1256 O VAL A 99 4.956 6.762 -5.250 1.00 0.00 O ATOM 1257 CB VAL A 99 5.967 7.527 -2.661 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.581 6.206 -2.230 1.00 0.00 C ATOM 1259 CG2 VAL A 99 6.155 8.587 -1.584 1.00 0.00 C ATOM 0 H VAL A 99 5.274 9.543 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 99 7.672 7.963 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 99 4.898 7.373 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.133 5.886 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.396 5.452 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.656 6.331 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.714 8.239 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.219 8.771 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.667 9.511 -1.894 1.00 0.00 H new ATOM 1269 N LYS A 100 7.114 6.570 -5.873 1.00 0.00 N ATOM 1270 CA LYS A 100 6.841 5.631 -6.957 1.00 0.00 C ATOM 1271 C LYS A 100 6.868 4.215 -6.405 1.00 0.00 C ATOM 1272 O LYS A 100 7.852 3.492 -6.562 1.00 0.00 O ATOM 1273 CB LYS A 100 7.882 5.762 -8.073 1.00 0.00 C ATOM 1274 CG LYS A 100 8.314 7.191 -8.352 1.00 0.00 C ATOM 1275 CD LYS A 100 8.250 7.514 -9.837 1.00 0.00 C ATOM 1276 CE LYS A 100 6.845 7.337 -10.389 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.722 7.862 -11.777 1.00 0.00 N ATOM 0 H LYS A 100 8.099 6.809 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 100 5.860 5.856 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.760 5.173 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.475 5.332 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.674 7.880 -7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.331 7.342 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.579 8.540 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.939 6.867 -10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.581 6.280 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.134 7.851 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.262 7.149 -12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.149 8.730 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.668 8.074 -12.153 1.00 0.00 H new ATOM 1291 N LEU A 101 5.790 3.832 -5.738 1.00 0.00 N ATOM 1292 CA LEU A 101 5.701 2.510 -5.139 1.00 0.00 C ATOM 1293 C LEU A 101 4.744 1.610 -5.911 1.00 0.00 C ATOM 1294 O LEU A 101 3.553 1.899 -6.037 1.00 0.00 O ATOM 1295 CB LEU A 101 5.289 2.623 -3.669 1.00 0.00 C ATOM 1296 CG LEU A 101 3.891 3.166 -3.419 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.467 2.890 -1.987 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.827 4.661 -3.715 1.00 0.00 C ATOM 0 H LEU A 101 4.966 4.417 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 101 6.687 2.047 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.363 1.636 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.006 3.265 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 101 3.201 2.657 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.464 3.284 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.468 1.815 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.164 3.373 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.817 5.026 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.529 5.190 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.090 4.837 -4.758 1.00 0.00 H new ATOM 1310 N ASN A 102 5.283 0.509 -6.430 1.00 0.00 N ATOM 1311 CA ASN A 102 4.491 -0.448 -7.189 1.00 0.00 C ATOM 1312 C ASN A 102 3.839 -1.450 -6.249 1.00 0.00 C ATOM 1313 O ASN A 102 4.509 -2.316 -5.688 1.00 0.00 O ATOM 1314 CB ASN A 102 5.366 -1.178 -8.211 1.00 0.00 C ATOM 1315 CG ASN A 102 5.177 -0.643 -9.618 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.009 0.109 -10.125 1.00 0.00 O ATOM 1317 ND2 ASN A 102 4.076 -1.027 -10.254 1.00 0.00 N ATOM 0 H ASN A 102 6.268 0.260 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 102 3.712 0.095 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.413 -1.080 -7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.129 -2.242 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.893 -0.697 -11.202 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.413 -1.652 -9.795 1.00 0.00 H new ATOM 1324 N ILE A 103 2.532 -1.320 -6.066 1.00 0.00 N ATOM 1325 CA ILE A 103 1.802 -2.209 -5.177 1.00 0.00 C ATOM 1326 C ILE A 103 1.079 -3.308 -5.946 1.00 0.00 C ATOM 1327 O ILE A 103 0.915 -3.227 -7.164 1.00 0.00 O ATOM 1328 CB ILE A 103 0.797 -1.426 -4.310 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.310 -0.820 -5.169 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.514 -0.336 -3.533 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.689 -1.084 -4.621 1.00 0.00 C ATOM 0 H ILE A 103 1.958 -0.609 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 103 2.538 -2.679 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 103 0.339 -2.122 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.155 0.256 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.242 -1.225 -6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.794 0.211 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.268 -0.786 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.995 0.351 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.433 -0.629 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.860 -2.159 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.772 -0.655 -3.622 1.00 0.00 H new ATOM 1343 N VAL A 104 0.663 -4.343 -5.226 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.026 -5.474 -5.832 1.00 0.00 C ATOM 1345 C VAL A 104 -1.454 -5.612 -5.310 1.00 0.00 C ATOM 1346 O VAL A 104 -1.714 -5.446 -4.116 1.00 0.00 O ATOM 1347 CB VAL A 104 0.730 -6.790 -5.568 1.00 0.00 C ATOM 1348 CG1 VAL A 104 0.056 -7.953 -6.279 1.00 0.00 C ATOM 1349 CG2 VAL A 104 2.184 -6.664 -5.998 1.00 0.00 C ATOM 0 H VAL A 104 0.792 -4.422 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.059 -5.280 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 104 0.705 -6.990 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.608 -8.871 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.967 -8.057 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.043 -7.765 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.703 -7.603 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.230 -6.437 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.662 -5.862 -5.435 1.00 0.00 H new