USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 35 CYS SG : rot -116:sc= 0.369 USER MOD Set 1.2: A 71 THR OG1 : rot 139:sc= 1.28 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.267) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0465) USER MOD Single : A 2 ASN : amide:sc= -0.0839 X(o=-0.084,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.445) USER MOD Single : A 11 GLN : amide:sc= -0.0585 X(o=-0.059,f=-0.059) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 16 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.29) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0959 K(o=-0.096,f=-0.61) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -82:sc= 1.08 USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0104 (180deg=-0.143) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0487 (180deg=-0.129) USER MOD Single : A 45 MET CE :methyl -171:sc= -3.49! (180deg=-3.8!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 51 ASN : amide:sc= 0.682 K(o=0.68,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.422 USER MOD Single : A 58 GLN : amide:sc= -0.595 K(o=-0.59,f=-0.07) USER MOD Single : A 60 MET CE :methyl -149:sc= -0.011 (180deg=-0.199) USER MOD Single : A 69 SER OG : rot -80:sc= 0.937 USER MOD Single : A 80 MET CE :methyl 180:sc= -2.04 (180deg=-2.04) USER MOD Single : A 81 MET CE :methyl 162:sc= -0.0922 (180deg=-0.203) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.0557 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 49:sc= 0.418 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.623 4.134 -13.224 1.00 0.00 N ATOM 2 CA MET A 1 9.192 4.132 -14.607 1.00 0.00 C ATOM 3 C MET A 1 10.393 3.187 -14.661 1.00 0.00 C ATOM 4 O MET A 1 11.536 3.600 -14.442 1.00 0.00 O ATOM 5 CB MET A 1 9.643 5.549 -14.987 1.00 0.00 C ATOM 6 CG MET A 1 8.435 6.490 -15.023 1.00 0.00 C ATOM 7 SD MET A 1 8.826 7.936 -16.041 1.00 0.00 S ATOM 8 CE MET A 1 10.041 8.680 -14.923 1.00 0.00 C ATOM 0 H1 MET A 1 7.721 4.652 -13.220 1.00 0.00 H new ATOM 0 H2 MET A 1 8.461 3.155 -12.914 1.00 0.00 H new ATOM 0 H3 MET A 1 9.291 4.596 -12.575 1.00 0.00 H new ATOM 0 HA MET A 1 8.428 3.797 -15.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.376 5.912 -14.267 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.133 5.535 -15.961 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.567 5.970 -15.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.174 6.803 -14.012 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.249 9.702 -15.240 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.644 8.688 -13.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.962 8.098 -14.947 1.00 0.00 H new ATOM 20 N ASN A 2 10.121 1.913 -14.950 1.00 0.00 N ATOM 21 CA ASN A 2 11.185 0.913 -15.028 1.00 0.00 C ATOM 22 C ASN A 2 11.292 0.349 -16.447 1.00 0.00 C ATOM 23 O ASN A 2 12.159 0.760 -17.221 1.00 0.00 O ATOM 24 CB ASN A 2 10.923 -0.229 -14.036 1.00 0.00 C ATOM 25 CG ASN A 2 11.723 0.010 -12.759 1.00 0.00 C ATOM 26 OD1 ASN A 2 12.472 -0.862 -12.319 1.00 0.00 O ATOM 27 ND2 ASN A 2 11.608 1.149 -12.127 1.00 0.00 N ATOM 0 H ASN A 2 9.184 1.553 -15.132 1.00 0.00 H new ATOM 0 HA ASN A 2 12.126 1.399 -14.770 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.859 -0.287 -13.805 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.205 -1.183 -14.481 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.138 1.313 -11.271 1.00 0.00 H new ATOM 0 HD22 ASN A 2 10.988 1.873 -12.490 1.00 0.00 H new ATOM 34 N ASP A 3 10.398 -0.593 -16.778 1.00 0.00 N ATOM 35 CA ASP A 3 10.394 -1.214 -18.107 1.00 0.00 C ATOM 36 C ASP A 3 9.306 -2.282 -18.205 1.00 0.00 C ATOM 37 O ASP A 3 8.563 -2.339 -19.187 1.00 0.00 O ATOM 38 CB ASP A 3 11.751 -1.863 -18.415 1.00 0.00 C ATOM 39 CG ASP A 3 12.153 -1.549 -19.852 1.00 0.00 C ATOM 40 OD1 ASP A 3 11.764 -2.299 -20.733 1.00 0.00 O ATOM 41 OD2 ASP A 3 12.843 -0.563 -20.053 1.00 0.00 O ATOM 0 H ASP A 3 9.674 -0.939 -16.148 1.00 0.00 H new ATOM 0 HA ASP A 3 10.197 -0.424 -18.832 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.508 -1.491 -17.725 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.691 -2.942 -18.271 1.00 0.00 H new ATOM 46 N ILE A 4 9.219 -3.125 -17.170 1.00 0.00 N ATOM 47 CA ILE A 4 8.213 -4.193 -17.141 1.00 0.00 C ATOM 48 C ILE A 4 6.832 -3.625 -16.803 1.00 0.00 C ATOM 49 O ILE A 4 5.811 -4.211 -17.158 1.00 0.00 O ATOM 50 CB ILE A 4 8.571 -5.296 -16.123 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.350 -4.798 -14.681 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.027 -5.738 -16.311 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.448 -3.811 -14.266 1.00 0.00 C ATOM 0 H ILE A 4 9.825 -3.090 -16.350 1.00 0.00 H new ATOM 0 HA ILE A 4 8.195 -4.637 -18.136 1.00 0.00 H new ATOM 0 HB ILE A 4 7.917 -6.150 -16.297 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.375 -4.316 -14.604 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.341 -5.646 -13.997 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.267 -6.516 -15.587 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.162 -6.127 -17.320 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.689 -4.885 -16.160 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.268 -3.475 -13.245 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.419 -4.303 -14.321 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.438 -2.952 -14.937 1.00 0.00 H new ATOM 65 N TYR A 5 6.811 -2.472 -16.121 1.00 0.00 N ATOM 66 CA TYR A 5 5.547 -1.830 -15.754 1.00 0.00 C ATOM 67 C TYR A 5 4.850 -1.301 -17.006 1.00 0.00 C ATOM 68 O TYR A 5 3.622 -1.262 -17.078 1.00 0.00 O ATOM 69 CB TYR A 5 5.775 -0.650 -14.792 1.00 0.00 C ATOM 70 CG TYR A 5 6.695 -1.043 -13.654 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.752 -2.370 -13.209 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.494 -0.070 -13.043 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.604 -2.722 -12.161 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.344 -0.423 -11.991 1.00 0.00 C ATOM 75 CZ TYR A 5 8.401 -1.749 -11.551 1.00 0.00 C ATOM 76 OH TYR A 5 9.242 -2.097 -10.512 1.00 0.00 O ATOM 0 H TYR A 5 7.646 -1.971 -15.816 1.00 0.00 H new ATOM 0 HA TYR A 5 4.930 -2.580 -15.259 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.205 0.190 -15.338 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.819 -0.314 -14.391 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.135 -3.122 -13.678 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.454 0.954 -13.384 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.648 -3.746 -11.821 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.957 0.329 -11.517 1.00 0.00 H new ATOM 0 HH TYR A 5 9.725 -1.303 -10.202 1.00 0.00 H new ATOM 86 N LYS A 6 5.661 -0.898 -17.988 1.00 0.00 N ATOM 87 CA LYS A 6 5.136 -0.367 -19.251 1.00 0.00 C ATOM 88 C LYS A 6 4.683 -1.507 -20.158 1.00 0.00 C ATOM 89 O LYS A 6 3.670 -1.403 -20.848 1.00 0.00 O ATOM 90 CB LYS A 6 6.207 0.459 -19.980 1.00 0.00 C ATOM 91 CG LYS A 6 6.960 1.356 -18.986 1.00 0.00 C ATOM 92 CD LYS A 6 5.960 2.063 -18.065 1.00 0.00 C ATOM 93 CE LYS A 6 6.713 2.736 -16.911 1.00 0.00 C ATOM 94 NZ LYS A 6 5.948 3.928 -16.435 1.00 0.00 N ATOM 0 H LYS A 6 6.679 -0.929 -17.934 1.00 0.00 H new ATOM 0 HA LYS A 6 4.286 0.274 -19.018 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.909 -0.206 -20.483 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.740 1.072 -20.751 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.653 0.757 -18.395 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.555 2.093 -19.525 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.395 2.807 -18.627 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.240 1.345 -17.673 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.849 2.029 -16.092 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.707 3.038 -17.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.292 4.208 -15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.082 4.715 -17.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.937 3.691 -16.378 1.00 0.00 H new ATOM 108 N ALA A 7 5.446 -2.599 -20.141 1.00 0.00 N ATOM 109 CA ALA A 7 5.117 -3.769 -20.959 1.00 0.00 C ATOM 110 C ALA A 7 3.933 -4.536 -20.355 1.00 0.00 C ATOM 111 O ALA A 7 3.175 -5.191 -21.073 1.00 0.00 O ATOM 112 CB ALA A 7 6.323 -4.706 -21.061 1.00 0.00 C ATOM 0 H ALA A 7 6.289 -2.700 -19.576 1.00 0.00 H new ATOM 0 HA ALA A 7 4.846 -3.417 -21.954 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.062 -5.570 -21.672 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.158 -4.176 -21.520 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.610 -5.040 -20.064 1.00 0.00 H new ATOM 118 N ALA A 8 3.789 -4.447 -19.027 1.00 0.00 N ATOM 119 CA ALA A 8 2.703 -5.135 -18.328 1.00 0.00 C ATOM 120 C ALA A 8 1.422 -4.293 -18.294 1.00 0.00 C ATOM 121 O ALA A 8 0.326 -4.840 -18.177 1.00 0.00 O ATOM 122 CB ALA A 8 3.117 -5.461 -16.892 1.00 0.00 C ATOM 0 H ALA A 8 4.408 -3.909 -18.421 1.00 0.00 H new ATOM 0 HA ALA A 8 2.501 -6.054 -18.879 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.299 -5.973 -16.385 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.996 -6.105 -16.904 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.351 -4.538 -16.362 1.00 0.00 H new ATOM 128 N VAL A 9 1.562 -2.959 -18.391 1.00 0.00 N ATOM 129 CA VAL A 9 0.390 -2.071 -18.364 1.00 0.00 C ATOM 130 C VAL A 9 -0.614 -2.437 -19.468 1.00 0.00 C ATOM 131 O VAL A 9 -1.827 -2.320 -19.277 1.00 0.00 O ATOM 132 CB VAL A 9 0.815 -0.598 -18.507 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.135 -0.270 -19.970 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.320 0.308 -18.023 1.00 0.00 C ATOM 0 H VAL A 9 2.458 -2.481 -18.487 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.098 -2.204 -17.399 1.00 0.00 H new ATOM 0 HB VAL A 9 1.708 -0.431 -17.905 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.433 0.775 -20.052 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.948 -0.908 -20.316 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.251 -0.444 -20.584 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.021 1.351 -18.124 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.211 0.127 -18.623 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.537 0.092 -16.977 1.00 0.00 H new ATOM 144 N GLU A 10 -0.099 -2.887 -20.617 1.00 0.00 N ATOM 145 CA GLU A 10 -0.959 -3.275 -21.739 1.00 0.00 C ATOM 146 C GLU A 10 -1.618 -4.636 -21.483 1.00 0.00 C ATOM 147 O GLU A 10 -2.642 -4.959 -22.085 1.00 0.00 O ATOM 148 CB GLU A 10 -0.144 -3.361 -23.033 1.00 0.00 C ATOM 149 CG GLU A 10 0.071 -1.957 -23.609 1.00 0.00 C ATOM 150 CD GLU A 10 -1.196 -1.491 -24.321 1.00 0.00 C ATOM 151 OE1 GLU A 10 -1.448 -1.967 -25.418 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.897 -0.663 -23.761 1.00 0.00 O ATOM 0 H GLU A 10 0.900 -2.991 -20.794 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.732 -2.513 -21.837 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.818 -3.834 -22.836 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.664 -3.986 -23.759 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.327 -1.261 -22.810 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.909 -1.964 -24.306 1.00 0.00 H new ATOM 159 N GLN A 11 -1.016 -5.430 -20.588 1.00 0.00 N ATOM 160 CA GLN A 11 -1.546 -6.760 -20.266 1.00 0.00 C ATOM 161 C GLN A 11 -2.721 -6.660 -19.295 1.00 0.00 C ATOM 162 O GLN A 11 -3.690 -7.416 -19.402 1.00 0.00 O ATOM 163 CB GLN A 11 -0.457 -7.641 -19.633 1.00 0.00 C ATOM 164 CG GLN A 11 0.779 -7.681 -20.541 1.00 0.00 C ATOM 165 CD GLN A 11 0.426 -8.341 -21.873 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.272 -9.561 -21.948 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.291 -7.600 -22.941 1.00 0.00 N ATOM 0 H GLN A 11 -0.169 -5.177 -20.078 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.885 -7.209 -21.199 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.186 -7.250 -18.652 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.838 -8.650 -19.479 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.147 -6.670 -20.713 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.582 -8.234 -20.053 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.418 -6.590 -22.880 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.058 -8.032 -23.835 1.00 0.00 H new ATOM 176 N LEU A 12 -2.623 -5.724 -18.348 1.00 0.00 N ATOM 177 CA LEU A 12 -3.678 -5.527 -17.354 1.00 0.00 C ATOM 178 C LEU A 12 -5.008 -5.179 -18.022 1.00 0.00 C ATOM 179 O LEU A 12 -5.044 -4.599 -19.111 1.00 0.00 O ATOM 180 CB LEU A 12 -3.296 -4.406 -16.386 1.00 0.00 C ATOM 181 CG LEU A 12 -2.145 -4.744 -15.434 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.068 -3.662 -15.524 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.678 -4.822 -14.000 1.00 0.00 C ATOM 0 H LEU A 12 -1.827 -5.094 -18.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.792 -6.462 -16.806 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.023 -3.523 -16.964 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.172 -4.142 -15.794 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.712 -5.704 -15.714 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.250 -3.905 -14.845 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.689 -3.610 -16.545 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.496 -2.699 -15.246 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.860 -5.063 -13.321 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.112 -3.862 -13.720 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.442 -5.597 -13.937 1.00 0.00 H new ATOM 195 N THR A 13 -6.100 -5.547 -17.352 1.00 0.00 N ATOM 196 CA THR A 13 -7.441 -5.282 -17.876 1.00 0.00 C ATOM 197 C THR A 13 -8.028 -4.017 -17.257 1.00 0.00 C ATOM 198 O THR A 13 -7.534 -3.511 -16.246 1.00 0.00 O ATOM 199 CB THR A 13 -8.387 -6.457 -17.584 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.984 -7.119 -16.389 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.354 -7.441 -18.753 1.00 0.00 C ATOM 0 H THR A 13 -6.084 -6.026 -16.452 1.00 0.00 H new ATOM 0 HA THR A 13 -7.346 -5.150 -18.954 1.00 0.00 H new ATOM 0 HB THR A 13 -9.401 -6.078 -17.456 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.592 -7.866 -16.208 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.025 -8.275 -18.546 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.674 -6.935 -19.664 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.339 -7.816 -18.884 1.00 0.00 H new ATOM 209 N ASP A 14 -9.102 -3.524 -17.876 1.00 0.00 N ATOM 210 CA ASP A 14 -9.781 -2.325 -17.386 1.00 0.00 C ATOM 211 C ASP A 14 -10.412 -2.591 -16.015 1.00 0.00 C ATOM 212 O ASP A 14 -10.508 -1.689 -15.181 1.00 0.00 O ATOM 213 CB ASP A 14 -10.875 -1.894 -18.370 1.00 0.00 C ATOM 214 CG ASP A 14 -11.486 -0.566 -17.926 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.754 0.410 -17.855 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.676 -0.545 -17.664 1.00 0.00 O ATOM 0 H ASP A 14 -9.518 -3.934 -18.712 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.042 -1.529 -17.294 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.456 -1.794 -19.371 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.649 -2.660 -18.424 1.00 0.00 H new ATOM 221 N GLU A 15 -10.836 -3.843 -15.796 1.00 0.00 N ATOM 222 CA GLU A 15 -11.456 -4.234 -14.526 1.00 0.00 C ATOM 223 C GLU A 15 -10.482 -4.043 -13.361 1.00 0.00 C ATOM 224 O GLU A 15 -10.868 -3.573 -12.290 1.00 0.00 O ATOM 225 CB GLU A 15 -11.892 -5.703 -14.572 1.00 0.00 C ATOM 226 CG GLU A 15 -13.164 -5.840 -15.417 1.00 0.00 C ATOM 227 CD GLU A 15 -12.791 -6.159 -16.863 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.573 -7.325 -17.156 1.00 0.00 O ATOM 229 OE2 GLU A 15 -12.728 -5.234 -17.658 1.00 0.00 O ATOM 0 H GLU A 15 -10.761 -4.597 -16.478 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.327 -3.597 -14.374 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.096 -6.315 -14.995 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.074 -6.070 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.797 -6.629 -15.012 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.741 -4.916 -15.376 1.00 0.00 H new ATOM 236 N GLN A 16 -9.212 -4.406 -13.584 1.00 0.00 N ATOM 237 CA GLN A 16 -8.183 -4.265 -12.549 1.00 0.00 C ATOM 238 C GLN A 16 -8.031 -2.800 -12.143 1.00 0.00 C ATOM 239 O GLN A 16 -8.014 -2.472 -10.956 1.00 0.00 O ATOM 240 CB GLN A 16 -6.832 -4.788 -13.052 1.00 0.00 C ATOM 241 CG GLN A 16 -6.793 -6.314 -12.939 1.00 0.00 C ATOM 242 CD GLN A 16 -6.543 -6.716 -11.487 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.483 -7.011 -10.749 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.321 -6.744 -11.029 1.00 0.00 N ATOM 0 H GLN A 16 -8.876 -4.796 -14.464 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.496 -4.852 -11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.678 -4.487 -14.088 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.022 -4.350 -12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.735 -6.738 -13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.007 -6.716 -13.578 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.542 -6.500 -11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.145 -7.010 -10.060 1.00 0.00 H new ATOM 253 N LYS A 17 -7.933 -1.923 -13.148 1.00 0.00 N ATOM 254 CA LYS A 17 -7.795 -0.488 -12.891 1.00 0.00 C ATOM 255 C LYS A 17 -9.088 0.088 -12.306 1.00 0.00 C ATOM 256 O LYS A 17 -9.057 1.073 -11.572 1.00 0.00 O ATOM 257 CB LYS A 17 -7.442 0.266 -14.175 1.00 0.00 C ATOM 258 CG LYS A 17 -5.926 0.488 -14.235 1.00 0.00 C ATOM 259 CD LYS A 17 -5.317 -0.369 -15.350 1.00 0.00 C ATOM 260 CE LYS A 17 -5.236 0.447 -16.645 1.00 0.00 C ATOM 261 NZ LYS A 17 -3.984 1.258 -16.651 1.00 0.00 N ATOM 0 H LYS A 17 -7.947 -2.179 -14.135 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.988 -0.361 -12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.772 -0.301 -15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.962 1.223 -14.202 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.711 1.541 -14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.474 0.230 -13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.322 -0.707 -15.059 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.923 -1.261 -15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.253 -0.219 -17.508 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.104 1.100 -16.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.932 1.810 -17.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.985 1.904 -15.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.161 0.626 -16.590 1.00 0.00 H new ATOM 275 N ASN A 18 -10.225 -0.544 -12.630 1.00 0.00 N ATOM 276 CA ASN A 18 -11.519 -0.090 -12.114 1.00 0.00 C ATOM 277 C ASN A 18 -11.569 -0.283 -10.598 1.00 0.00 C ATOM 278 O ASN A 18 -11.990 0.610 -9.860 1.00 0.00 O ATOM 279 CB ASN A 18 -12.668 -0.875 -12.760 1.00 0.00 C ATOM 280 CG ASN A 18 -13.334 -0.021 -13.833 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.515 0.307 -13.727 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.642 0.363 -14.872 1.00 0.00 N ATOM 0 H ASN A 18 -10.273 -1.361 -13.239 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.632 0.966 -12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.289 -1.798 -13.199 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.398 -1.159 -12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.081 0.934 -15.594 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.663 0.092 -14.961 1.00 0.00 H new ATOM 289 N GLU A 19 -11.110 -1.456 -10.144 1.00 0.00 N ATOM 290 CA GLU A 19 -11.080 -1.760 -8.711 1.00 0.00 C ATOM 291 C GLU A 19 -10.035 -0.885 -8.027 1.00 0.00 C ATOM 292 O GLU A 19 -10.288 -0.304 -6.973 1.00 0.00 O ATOM 293 CB GLU A 19 -10.721 -3.230 -8.463 1.00 0.00 C ATOM 294 CG GLU A 19 -11.694 -4.143 -9.211 1.00 0.00 C ATOM 295 CD GLU A 19 -11.073 -5.528 -9.366 1.00 0.00 C ATOM 296 OE1 GLU A 19 -10.353 -5.730 -10.330 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.322 -6.366 -8.514 1.00 0.00 O ATOM 0 H GLU A 19 -10.758 -2.203 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.072 -1.564 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.701 -3.424 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.756 -3.446 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.635 -4.214 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.923 -3.724 -10.191 1.00 0.00 H new ATOM 304 N PHE A 20 -8.855 -0.803 -8.654 1.00 0.00 N ATOM 305 CA PHE A 20 -7.753 0.003 -8.123 1.00 0.00 C ATOM 306 C PHE A 20 -8.153 1.477 -8.016 1.00 0.00 C ATOM 307 O PHE A 20 -7.853 2.137 -7.022 1.00 0.00 O ATOM 308 CB PHE A 20 -6.521 -0.118 -9.033 1.00 0.00 C ATOM 309 CG PHE A 20 -5.704 -1.339 -8.664 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.290 -2.411 -7.977 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.351 -1.394 -9.015 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.523 -3.533 -7.643 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.585 -2.515 -8.681 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.171 -3.585 -7.994 1.00 0.00 C ATOM 0 H PHE A 20 -8.641 -1.284 -9.527 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.515 -0.372 -7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.836 -0.186 -10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.907 0.778 -8.944 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.334 -2.371 -7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.897 -0.569 -9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.976 -4.359 -7.114 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.541 -2.556 -8.953 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.579 -4.450 -7.735 1.00 0.00 H new ATOM 324 N LYS A 21 -8.836 1.982 -9.053 1.00 0.00 N ATOM 325 CA LYS A 21 -9.277 3.382 -9.072 1.00 0.00 C ATOM 326 C LYS A 21 -10.295 3.642 -7.961 1.00 0.00 C ATOM 327 O LYS A 21 -10.168 4.607 -7.210 1.00 0.00 O ATOM 328 CB LYS A 21 -9.908 3.736 -10.426 1.00 0.00 C ATOM 329 CG LYS A 21 -10.208 5.238 -10.483 1.00 0.00 C ATOM 330 CD LYS A 21 -8.905 6.031 -10.341 1.00 0.00 C ATOM 331 CE LYS A 21 -9.136 7.481 -10.778 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.987 7.592 -12.259 1.00 0.00 N ATOM 0 H LYS A 21 -9.093 1.447 -9.882 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.399 4.008 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.232 3.460 -11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.826 3.167 -10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.695 5.486 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.900 5.511 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.561 6.003 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.123 5.577 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.132 7.807 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.423 8.138 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.145 8.578 -12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.028 7.298 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.684 6.977 -12.725 1.00 0.00 H new ATOM 346 N ALA A 22 -11.300 2.766 -7.862 1.00 0.00 N ATOM 347 CA ALA A 22 -12.328 2.909 -6.830 1.00 0.00 C ATOM 348 C ALA A 22 -11.706 2.769 -5.442 1.00 0.00 C ATOM 349 O ALA A 22 -11.995 3.554 -4.540 1.00 0.00 O ATOM 350 CB ALA A 22 -13.419 1.851 -7.001 1.00 0.00 C ATOM 0 H ALA A 22 -11.422 1.961 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.773 3.899 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.172 1.976 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.885 1.964 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.978 0.857 -6.922 1.00 0.00 H new ATOM 356 N ALA A 23 -10.830 1.770 -5.293 1.00 0.00 N ATOM 357 CA ALA A 23 -10.143 1.536 -4.020 1.00 0.00 C ATOM 358 C ALA A 23 -9.235 2.720 -3.671 1.00 0.00 C ATOM 359 O ALA A 23 -8.914 2.942 -2.505 1.00 0.00 O ATOM 360 CB ALA A 23 -9.292 0.265 -4.094 1.00 0.00 C ATOM 0 H ALA A 23 -10.581 1.114 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.904 1.421 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.789 0.108 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.933 -0.590 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.547 0.371 -4.883 1.00 0.00 H new ATOM 366 N PHE A 24 -8.829 3.475 -4.696 1.00 0.00 N ATOM 367 CA PHE A 24 -7.968 4.634 -4.491 1.00 0.00 C ATOM 368 C PHE A 24 -8.808 5.858 -4.120 1.00 0.00 C ATOM 369 O PHE A 24 -8.579 6.494 -3.094 1.00 0.00 O ATOM 370 CB PHE A 24 -7.180 4.935 -5.774 1.00 0.00 C ATOM 371 CG PHE A 24 -5.919 5.702 -5.446 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.740 5.012 -5.139 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.927 7.101 -5.458 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.572 5.721 -4.842 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.759 7.810 -5.161 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.581 7.121 -4.852 1.00 0.00 C ATOM 0 H PHE A 24 -9.083 3.303 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.275 4.411 -3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.926 4.004 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.798 5.513 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.733 3.932 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.836 7.634 -5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.663 5.189 -4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.766 8.890 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.679 7.669 -4.621 1.00 0.00 H new ATOM 386 N ASP A 25 -9.778 6.177 -4.984 1.00 0.00 N ATOM 387 CA ASP A 25 -10.654 7.338 -4.781 1.00 0.00 C ATOM 388 C ASP A 25 -11.359 7.322 -3.421 1.00 0.00 C ATOM 389 O ASP A 25 -11.541 8.378 -2.811 1.00 0.00 O ATOM 390 CB ASP A 25 -11.713 7.402 -5.884 1.00 0.00 C ATOM 391 CG ASP A 25 -11.140 8.116 -7.104 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.323 7.518 -7.788 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.528 9.248 -7.339 1.00 0.00 O ATOM 0 H ASP A 25 -9.977 5.647 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.011 8.217 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.031 6.395 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.596 7.929 -5.524 1.00 0.00 H new ATOM 398 N ILE A 26 -11.764 6.136 -2.952 1.00 0.00 N ATOM 399 CA ILE A 26 -12.455 6.039 -1.655 1.00 0.00 C ATOM 400 C ILE A 26 -11.613 6.669 -0.541 1.00 0.00 C ATOM 401 O ILE A 26 -12.145 7.309 0.368 1.00 0.00 O ATOM 402 CB ILE A 26 -12.768 4.580 -1.297 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.488 3.736 -1.377 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.812 4.034 -2.274 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.796 2.286 -0.999 1.00 0.00 C ATOM 0 H ILE A 26 -11.631 5.248 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.394 6.585 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.159 4.531 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.076 3.779 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.731 4.143 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.038 2.997 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.722 4.630 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.421 4.085 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.883 1.693 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.187 2.250 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.537 1.880 -1.687 1.00 0.00 H new ATOM 417 N PHE A 27 -10.292 6.489 -0.632 1.00 0.00 N ATOM 418 CA PHE A 27 -9.378 7.051 0.361 1.00 0.00 C ATOM 419 C PHE A 27 -9.002 8.490 -0.005 1.00 0.00 C ATOM 420 O PHE A 27 -8.729 9.310 0.873 1.00 0.00 O ATOM 421 CB PHE A 27 -8.107 6.204 0.457 1.00 0.00 C ATOM 422 CG PHE A 27 -8.464 4.812 0.929 1.00 0.00 C ATOM 423 CD1 PHE A 27 -9.132 4.633 2.149 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.137 3.703 0.144 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.470 3.345 2.579 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.474 2.414 0.574 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.142 2.235 1.791 1.00 0.00 C ATOM 0 H PHE A 27 -9.836 5.963 -1.378 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.886 7.049 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.615 6.155 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.402 6.664 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.386 5.489 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.623 3.841 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.984 3.207 3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.219 1.558 -0.033 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.404 1.241 2.122 1.00 0.00 H new ATOM 437 N ILE A 28 -8.996 8.789 -1.311 1.00 0.00 N ATOM 438 CA ILE A 28 -8.658 10.137 -1.785 1.00 0.00 C ATOM 439 C ILE A 28 -9.929 10.981 -1.951 1.00 0.00 C ATOM 440 O ILE A 28 -10.052 11.770 -2.891 1.00 0.00 O ATOM 441 CB ILE A 28 -7.910 10.069 -3.131 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.827 8.983 -3.093 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.243 11.412 -3.433 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.131 8.962 -1.726 1.00 0.00 C ATOM 0 H ILE A 28 -9.219 8.123 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.011 10.602 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.638 9.832 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.274 8.009 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.093 9.166 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.718 11.351 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.003 12.192 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.532 11.651 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.366 8.185 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.666 9.930 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.865 8.756 -0.947 1.00 0.00 H new ATOM 456 N GLN A 29 -10.873 10.814 -1.018 1.00 0.00 N ATOM 457 CA GLN A 29 -12.127 11.573 -1.066 1.00 0.00 C ATOM 458 C GLN A 29 -11.894 13.017 -0.617 1.00 0.00 C ATOM 459 O GLN A 29 -12.568 13.936 -1.082 1.00 0.00 O ATOM 460 CB GLN A 29 -13.205 10.931 -0.175 1.00 0.00 C ATOM 461 CG GLN A 29 -12.668 10.722 1.247 1.00 0.00 C ATOM 462 CD GLN A 29 -13.832 10.601 2.228 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.788 11.376 2.173 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.805 9.667 3.138 1.00 0.00 N ATOM 0 H GLN A 29 -10.795 10.170 -0.231 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.477 11.563 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.089 11.568 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.514 9.975 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.054 9.822 1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.028 11.557 1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.015 9.024 3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.574 9.580 3.802 1.00 0.00 H new ATOM 473 N ASP A 30 -10.930 13.205 0.292 1.00 0.00 N ATOM 474 CA ASP A 30 -10.614 14.541 0.796 1.00 0.00 C ATOM 475 C ASP A 30 -9.112 14.668 1.093 1.00 0.00 C ATOM 476 O ASP A 30 -8.710 15.352 2.038 1.00 0.00 O ATOM 477 CB ASP A 30 -11.420 14.829 2.071 1.00 0.00 C ATOM 478 CG ASP A 30 -12.880 15.089 1.708 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.160 16.147 1.164 1.00 0.00 O ATOM 480 OD2 ASP A 30 -13.699 14.225 1.979 1.00 0.00 O ATOM 0 H ASP A 30 -10.362 12.456 0.688 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.881 15.268 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.350 13.984 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.004 15.694 2.588 1.00 0.00 H new ATOM 485 N ALA A 31 -8.285 14.007 0.270 1.00 0.00 N ATOM 486 CA ALA A 31 -6.835 14.061 0.452 1.00 0.00 C ATOM 487 C ALA A 31 -6.303 15.456 0.121 1.00 0.00 C ATOM 488 O ALA A 31 -6.891 16.187 -0.681 1.00 0.00 O ATOM 489 CB ALA A 31 -6.142 13.035 -0.449 1.00 0.00 C ATOM 0 H ALA A 31 -8.594 13.437 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.620 13.831 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.064 13.090 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.493 12.034 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.376 13.250 -1.492 1.00 0.00 H new ATOM 495 N GLU A 32 -5.184 15.813 0.753 1.00 0.00 N ATOM 496 CA GLU A 32 -4.570 17.127 0.529 1.00 0.00 C ATOM 497 C GLU A 32 -3.820 17.157 -0.800 1.00 0.00 C ATOM 498 O GLU A 32 -3.938 18.112 -1.570 1.00 0.00 O ATOM 499 CB GLU A 32 -3.599 17.473 1.663 1.00 0.00 C ATOM 500 CG GLU A 32 -4.364 18.146 2.808 1.00 0.00 C ATOM 501 CD GLU A 32 -4.419 19.654 2.570 1.00 0.00 C ATOM 502 OE1 GLU A 32 -5.256 20.082 1.791 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.623 20.358 3.170 1.00 0.00 O ATOM 0 H GLU A 32 -4.687 15.220 1.417 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.372 17.865 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.107 16.569 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.817 18.137 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.374 17.741 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.875 17.935 3.759 1.00 0.00 H new ATOM 510 N ASP A 33 -3.048 16.100 -1.062 1.00 0.00 N ATOM 511 CA ASP A 33 -2.278 16.008 -2.303 1.00 0.00 C ATOM 512 C ASP A 33 -3.011 15.144 -3.333 1.00 0.00 C ATOM 513 O ASP A 33 -3.027 15.460 -4.524 1.00 0.00 O ATOM 514 CB ASP A 33 -0.894 15.408 -2.033 1.00 0.00 C ATOM 515 CG ASP A 33 0.009 16.471 -1.412 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.121 16.712 -0.222 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.818 17.030 -2.136 1.00 0.00 O ATOM 0 H ASP A 33 -2.940 15.302 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.163 17.017 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.981 14.553 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.457 15.042 -2.962 1.00 0.00 H new ATOM 522 N GLY A 34 -3.615 14.049 -2.858 1.00 0.00 N ATOM 523 CA GLY A 34 -4.350 13.137 -3.741 1.00 0.00 C ATOM 524 C GLY A 34 -3.706 11.752 -3.749 1.00 0.00 C ATOM 525 O GLY A 34 -3.507 11.153 -4.807 1.00 0.00 O ATOM 0 H GLY A 34 -3.610 13.774 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.386 13.059 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.368 13.540 -4.754 1.00 0.00 H new ATOM 529 N CYS A 35 -3.383 11.252 -2.553 1.00 0.00 N ATOM 530 CA CYS A 35 -2.758 9.936 -2.416 1.00 0.00 C ATOM 531 C CYS A 35 -3.021 9.358 -1.026 1.00 0.00 C ATOM 532 O CYS A 35 -3.553 10.038 -0.145 1.00 0.00 O ATOM 533 CB CYS A 35 -1.241 10.021 -2.640 1.00 0.00 C ATOM 534 SG CYS A 35 -0.646 11.688 -2.248 1.00 0.00 S ATOM 0 H CYS A 35 -3.544 11.737 -1.670 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.197 9.285 -3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.732 9.288 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.004 9.776 -3.675 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.171 12.243 -3.323 1.00 0.00 H new ATOM 540 N ILE A 36 -2.632 8.096 -0.840 1.00 0.00 N ATOM 541 CA ILE A 36 -2.818 7.425 0.450 1.00 0.00 C ATOM 542 C ILE A 36 -1.508 7.429 1.236 1.00 0.00 C ATOM 543 O ILE A 36 -0.516 8.016 0.803 1.00 0.00 O ATOM 544 CB ILE A 36 -3.294 5.973 0.250 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.299 5.213 -0.635 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.671 5.969 -0.421 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.629 4.100 0.176 1.00 0.00 C ATOM 0 H ILE A 36 -2.190 7.521 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.580 7.969 1.009 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.359 5.485 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.815 4.788 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.545 5.898 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.005 4.941 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.385 6.499 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.605 6.464 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.923 3.563 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.098 4.536 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.388 3.408 0.541 1.00 0.00 H new ATOM 559 N SER A 37 -1.509 6.771 2.395 1.00 0.00 N ATOM 560 CA SER A 37 -0.309 6.707 3.224 1.00 0.00 C ATOM 561 C SER A 37 0.487 5.449 2.898 1.00 0.00 C ATOM 562 O SER A 37 -0.068 4.350 2.829 1.00 0.00 O ATOM 563 CB SER A 37 -0.670 6.699 4.713 1.00 0.00 C ATOM 564 OG SER A 37 0.374 7.322 5.451 1.00 0.00 O ATOM 0 H SER A 37 -2.318 6.281 2.777 1.00 0.00 H new ATOM 0 HA SER A 37 0.292 7.591 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.610 7.226 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.815 5.676 5.059 1.00 0.00 H new ATOM 0 HG SER A 37 0.147 7.321 6.404 1.00 0.00 H new ATOM 570 N THR A 38 1.795 5.625 2.705 1.00 0.00 N ATOM 571 CA THR A 38 2.680 4.498 2.393 1.00 0.00 C ATOM 572 C THR A 38 2.605 3.446 3.499 1.00 0.00 C ATOM 573 O THR A 38 2.518 2.249 3.229 1.00 0.00 O ATOM 574 CB THR A 38 4.133 4.971 2.248 1.00 0.00 C ATOM 575 OG1 THR A 38 4.500 5.748 3.382 1.00 0.00 O ATOM 576 CG2 THR A 38 4.276 5.819 0.985 1.00 0.00 C ATOM 0 H THR A 38 2.264 6.529 2.758 1.00 0.00 H new ATOM 0 HA THR A 38 2.350 4.063 1.449 1.00 0.00 H new ATOM 0 HB THR A 38 4.786 4.101 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.173 6.665 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.309 6.153 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.002 5.224 0.114 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.619 6.686 1.053 1.00 0.00 H new ATOM 584 N LYS A 39 2.634 3.918 4.747 1.00 0.00 N ATOM 585 CA LYS A 39 2.564 3.030 5.908 1.00 0.00 C ATOM 586 C LYS A 39 1.185 2.359 6.033 1.00 0.00 C ATOM 587 O LYS A 39 1.044 1.354 6.733 1.00 0.00 O ATOM 588 CB LYS A 39 2.854 3.822 7.190 1.00 0.00 C ATOM 589 CG LYS A 39 1.791 4.911 7.388 1.00 0.00 C ATOM 590 CD LYS A 39 1.504 5.089 8.881 1.00 0.00 C ATOM 591 CE LYS A 39 2.483 6.105 9.479 1.00 0.00 C ATOM 592 NZ LYS A 39 2.072 7.487 9.091 1.00 0.00 N ATOM 0 H LYS A 39 2.705 4.909 4.979 1.00 0.00 H new ATOM 0 HA LYS A 39 3.313 2.250 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.862 3.150 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.844 4.275 7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.137 5.852 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.876 4.639 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.479 5.429 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.598 4.133 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.501 6.012 10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.494 5.903 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.529 8.175 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.361 7.673 8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.039 7.577 9.170 1.00 0.00 H new ATOM 606 N GLU A 40 0.167 2.923 5.361 1.00 0.00 N ATOM 607 CA GLU A 40 -1.184 2.362 5.427 1.00 0.00 C ATOM 608 C GLU A 40 -1.527 1.540 4.175 1.00 0.00 C ATOM 609 O GLU A 40 -2.679 1.136 3.995 1.00 0.00 O ATOM 610 CB GLU A 40 -2.215 3.483 5.574 1.00 0.00 C ATOM 611 CG GLU A 40 -2.198 4.018 7.009 1.00 0.00 C ATOM 612 CD GLU A 40 -3.118 5.233 7.113 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.324 5.043 7.097 1.00 0.00 O ATOM 614 OE2 GLU A 40 -2.603 6.335 7.211 1.00 0.00 O ATOM 0 H GLU A 40 0.255 3.754 4.776 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.213 1.703 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.993 4.288 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.209 3.110 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.524 3.242 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.182 4.293 7.294 1.00 0.00 H new ATOM 621 N LEU A 41 -0.529 1.285 3.317 1.00 0.00 N ATOM 622 CA LEU A 41 -0.766 0.502 2.104 1.00 0.00 C ATOM 623 C LEU A 41 -0.805 -0.993 2.445 1.00 0.00 C ATOM 624 O LEU A 41 0.107 -1.756 2.117 1.00 0.00 O ATOM 625 CB LEU A 41 0.324 0.774 1.059 1.00 0.00 C ATOM 626 CG LEU A 41 0.134 0.070 -0.291 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.342 0.119 -0.700 1.00 0.00 C ATOM 628 CD2 LEU A 41 0.982 0.777 -1.354 1.00 0.00 C ATOM 0 H LEU A 41 0.432 1.604 3.440 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.727 0.799 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.376 1.849 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.285 0.472 1.475 1.00 0.00 H new ATOM 0 HG LEU A 41 0.447 -0.970 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.471 -0.382 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.946 -0.383 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.661 1.158 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.850 0.280 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.668 1.817 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.033 0.738 -1.067 1.00 0.00 H new ATOM 640 N GLY A 42 -1.887 -1.385 3.117 1.00 0.00 N ATOM 641 CA GLY A 42 -2.087 -2.775 3.526 1.00 0.00 C ATOM 642 C GLY A 42 -3.577 -3.069 3.671 1.00 0.00 C ATOM 643 O GLY A 42 -4.096 -4.027 3.093 1.00 0.00 O ATOM 0 H GLY A 42 -2.642 -0.756 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.646 -3.446 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.578 -2.961 4.472 1.00 0.00 H new ATOM 647 N LYS A 43 -4.262 -2.214 4.441 1.00 0.00 N ATOM 648 CA LYS A 43 -5.700 -2.359 4.654 1.00 0.00 C ATOM 649 C LYS A 43 -6.482 -1.927 3.408 1.00 0.00 C ATOM 650 O LYS A 43 -7.634 -2.320 3.220 1.00 0.00 O ATOM 651 CB LYS A 43 -6.138 -1.504 5.849 1.00 0.00 C ATOM 652 CG LYS A 43 -5.842 -0.025 5.571 1.00 0.00 C ATOM 653 CD LYS A 43 -6.674 0.853 6.507 1.00 0.00 C ATOM 654 CE LYS A 43 -5.962 0.993 7.857 1.00 0.00 C ATOM 655 NZ LYS A 43 -4.848 1.978 7.741 1.00 0.00 N ATOM 0 H LYS A 43 -3.842 -1.419 4.923 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.911 -3.409 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.203 -1.642 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.614 -1.826 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.781 0.177 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.073 0.213 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.824 1.836 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.661 0.414 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.670 1.319 8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.573 0.026 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.523 2.248 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.060 1.550 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.183 2.823 7.236 1.00 0.00 H new ATOM 669 N VAL A 44 -5.840 -1.115 2.556 1.00 0.00 N ATOM 670 CA VAL A 44 -6.479 -0.637 1.331 1.00 0.00 C ATOM 671 C VAL A 44 -6.575 -1.765 0.296 1.00 0.00 C ATOM 672 O VAL A 44 -7.530 -1.826 -0.481 1.00 0.00 O ATOM 673 CB VAL A 44 -5.695 0.546 0.740 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.590 1.664 1.784 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.284 0.100 0.345 1.00 0.00 C ATOM 0 H VAL A 44 -4.887 -0.780 2.695 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.486 -0.304 1.583 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.220 0.909 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.034 2.502 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.590 1.995 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.071 1.290 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.738 0.946 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.760 -0.271 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.348 -0.693 -0.400 1.00 0.00 H new ATOM 685 N MET A 45 -5.581 -2.665 0.307 1.00 0.00 N ATOM 686 CA MET A 45 -5.568 -3.798 -0.625 1.00 0.00 C ATOM 687 C MET A 45 -6.612 -4.845 -0.224 1.00 0.00 C ATOM 688 O MET A 45 -7.069 -5.628 -1.058 1.00 0.00 O ATOM 689 CB MET A 45 -4.188 -4.461 -0.654 1.00 0.00 C ATOM 690 CG MET A 45 -3.129 -3.419 -1.023 1.00 0.00 C ATOM 691 SD MET A 45 -1.515 -4.223 -1.179 1.00 0.00 S ATOM 692 CE MET A 45 -1.229 -4.495 0.586 1.00 0.00 C ATOM 0 H MET A 45 -4.785 -2.630 0.944 1.00 0.00 H new ATOM 0 HA MET A 45 -5.806 -3.410 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.961 -4.897 0.319 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.179 -5.276 -1.378 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.396 -2.931 -1.960 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.087 -2.642 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.207 -4.842 0.740 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.381 -3.561 1.127 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.927 -5.246 0.956 1.00 0.00 H new ATOM 702 N ARG A 46 -6.987 -4.846 1.064 1.00 0.00 N ATOM 703 CA ARG A 46 -7.986 -5.793 1.571 1.00 0.00 C ATOM 704 C ARG A 46 -9.307 -5.629 0.823 1.00 0.00 C ATOM 705 O ARG A 46 -9.949 -6.614 0.453 1.00 0.00 O ATOM 706 CB ARG A 46 -8.230 -5.572 3.070 1.00 0.00 C ATOM 707 CG ARG A 46 -7.303 -6.479 3.885 1.00 0.00 C ATOM 708 CD ARG A 46 -8.117 -7.204 4.960 1.00 0.00 C ATOM 709 NE ARG A 46 -7.244 -7.705 6.024 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.784 -6.907 7.000 1.00 0.00 C ATOM 711 NH1 ARG A 46 -7.097 -5.631 7.032 1.00 0.00 N ATOM 712 NH2 ARG A 46 -6.012 -7.407 7.934 1.00 0.00 N ATOM 0 H ARG A 46 -6.616 -4.207 1.767 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.601 -6.800 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.051 -4.528 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.270 -5.786 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.817 -7.203 3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.513 -5.888 4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.858 -6.525 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.664 -8.033 4.511 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.978 -8.690 6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.697 -5.235 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.740 -5.037 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.765 -8.396 7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.659 -6.807 8.679 1.00 0.00 H new ATOM 726 N MET A 47 -9.698 -4.368 0.594 1.00 0.00 N ATOM 727 CA MET A 47 -10.940 -4.075 -0.126 1.00 0.00 C ATOM 728 C MET A 47 -10.888 -4.656 -1.543 1.00 0.00 C ATOM 729 O MET A 47 -11.903 -5.106 -2.077 1.00 0.00 O ATOM 730 CB MET A 47 -11.168 -2.560 -0.217 1.00 0.00 C ATOM 731 CG MET A 47 -11.759 -2.048 1.100 1.00 0.00 C ATOM 732 SD MET A 47 -10.444 -1.322 2.110 1.00 0.00 S ATOM 733 CE MET A 47 -11.501 -0.659 3.422 1.00 0.00 C ATOM 0 H MET A 47 -9.177 -3.544 0.894 1.00 0.00 H new ATOM 0 HA MET A 47 -11.761 -4.532 0.426 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.226 -2.053 -0.426 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.843 -2.333 -1.042 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.531 -1.305 0.900 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.236 -2.866 1.639 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.884 -0.158 4.168 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.206 0.055 2.996 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.051 -1.474 3.893 1.00 0.00 H new ATOM 743 N LEU A 48 -9.688 -4.646 -2.138 1.00 0.00 N ATOM 744 CA LEU A 48 -9.500 -5.180 -3.488 1.00 0.00 C ATOM 745 C LEU A 48 -9.651 -6.702 -3.489 1.00 0.00 C ATOM 746 O LEU A 48 -10.434 -7.259 -4.260 1.00 0.00 O ATOM 747 CB LEU A 48 -8.106 -4.819 -4.018 1.00 0.00 C ATOM 748 CG LEU A 48 -8.080 -4.094 -5.367 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.817 -4.929 -6.416 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.760 -2.730 -5.229 1.00 0.00 C ATOM 0 H LEU A 48 -8.840 -4.276 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.261 -4.739 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.607 -4.192 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.522 -5.735 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.045 -3.954 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.796 -4.410 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.329 -5.898 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.851 -5.074 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.741 -2.215 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.794 -2.869 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.230 -2.133 -4.487 1.00 0.00 H new ATOM 762 N GLY A 49 -8.889 -7.363 -2.611 1.00 0.00 N ATOM 763 CA GLY A 49 -8.935 -8.821 -2.508 1.00 0.00 C ATOM 764 C GLY A 49 -7.550 -9.385 -2.200 1.00 0.00 C ATOM 765 O GLY A 49 -7.029 -10.224 -2.938 1.00 0.00 O ATOM 0 H GLY A 49 -8.238 -6.913 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.634 -9.113 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.306 -9.245 -3.441 1.00 0.00 H new ATOM 769 N GLN A 50 -6.960 -8.908 -1.099 1.00 0.00 N ATOM 770 CA GLN A 50 -5.628 -9.359 -0.688 1.00 0.00 C ATOM 771 C GLN A 50 -5.488 -9.294 0.832 1.00 0.00 C ATOM 772 O GLN A 50 -6.080 -8.434 1.486 1.00 0.00 O ATOM 773 CB GLN A 50 -4.545 -8.484 -1.325 1.00 0.00 C ATOM 774 CG GLN A 50 -3.969 -9.192 -2.554 1.00 0.00 C ATOM 775 CD GLN A 50 -3.007 -8.255 -3.282 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.085 -7.707 -2.676 1.00 0.00 O ATOM 777 NE2 GLN A 50 -3.167 -8.038 -4.560 1.00 0.00 N ATOM 0 H GLN A 50 -7.381 -8.214 -0.481 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.505 -10.389 -1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.965 -7.520 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.753 -8.285 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.448 -10.101 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.775 -9.494 -3.223 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.930 -8.491 -5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.529 -7.415 -5.055 1.00 0.00 H new ATOM 786 N ASN A 51 -4.697 -10.215 1.387 1.00 0.00 N ATOM 787 CA ASN A 51 -4.485 -10.254 2.836 1.00 0.00 C ATOM 788 C ASN A 51 -3.033 -10.629 3.166 1.00 0.00 C ATOM 789 O ASN A 51 -2.753 -11.744 3.615 1.00 0.00 O ATOM 790 CB ASN A 51 -5.443 -11.265 3.482 1.00 0.00 C ATOM 791 CG ASN A 51 -5.426 -11.098 5.001 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.687 -10.012 5.515 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.133 -12.122 5.757 1.00 0.00 N ATOM 0 H ASN A 51 -4.199 -10.935 0.864 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.686 -9.260 3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.454 -11.116 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.149 -12.280 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.121 -12.020 6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.916 -13.024 5.333 1.00 0.00 H new ATOM 800 N PRO A 52 -2.097 -9.693 2.954 1.00 0.00 N ATOM 801 CA PRO A 52 -0.668 -9.921 3.239 1.00 0.00 C ATOM 802 C PRO A 52 -0.310 -9.650 4.704 1.00 0.00 C ATOM 803 O PRO A 52 -1.189 -9.484 5.554 1.00 0.00 O ATOM 804 CB PRO A 52 0.007 -8.896 2.334 1.00 0.00 C ATOM 805 CG PRO A 52 -1.010 -7.793 2.076 1.00 0.00 C ATOM 806 CD PRO A 52 -2.399 -8.351 2.412 1.00 0.00 C ATOM 0 HA PRO A 52 -0.367 -10.954 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.902 -8.493 2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.323 -9.356 1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.790 -6.919 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.969 -7.471 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.918 -7.729 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.036 -8.406 1.529 1.00 0.00 H new ATOM 814 N THR A 53 0.993 -9.593 4.977 1.00 0.00 N ATOM 815 CA THR A 53 1.482 -9.324 6.329 1.00 0.00 C ATOM 816 C THR A 53 2.002 -7.886 6.401 1.00 0.00 C ATOM 817 O THR A 53 2.138 -7.221 5.371 1.00 0.00 O ATOM 818 CB THR A 53 2.614 -10.300 6.699 1.00 0.00 C ATOM 819 OG1 THR A 53 3.828 -9.881 6.090 1.00 0.00 O ATOM 820 CG2 THR A 53 2.267 -11.706 6.212 1.00 0.00 C ATOM 0 H THR A 53 1.727 -9.729 4.282 1.00 0.00 H new ATOM 0 HA THR A 53 0.662 -9.459 7.034 1.00 0.00 H new ATOM 0 HB THR A 53 2.733 -10.309 7.782 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.389 -10.663 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.072 -12.392 6.477 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.340 -12.035 6.682 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.141 -11.695 5.129 1.00 0.00 H new ATOM 828 N PRO A 54 2.318 -7.391 7.603 1.00 0.00 N ATOM 829 CA PRO A 54 2.842 -6.020 7.763 1.00 0.00 C ATOM 830 C PRO A 54 4.273 -5.878 7.244 1.00 0.00 C ATOM 831 O PRO A 54 4.673 -4.804 6.789 1.00 0.00 O ATOM 832 CB PRO A 54 2.765 -5.808 9.270 1.00 0.00 C ATOM 833 CG PRO A 54 2.759 -7.187 9.909 1.00 0.00 C ATOM 834 CD PRO A 54 2.190 -8.153 8.866 1.00 0.00 C ATOM 0 HA PRO A 54 2.280 -5.282 7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.615 -5.223 9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.865 -5.255 9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.767 -7.483 10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.151 -7.192 10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.751 -9.087 8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.153 -8.411 9.078 1.00 0.00 H new ATOM 842 N GLU A 55 5.030 -6.979 7.295 1.00 0.00 N ATOM 843 CA GLU A 55 6.409 -6.969 6.803 1.00 0.00 C ATOM 844 C GLU A 55 6.437 -7.184 5.286 1.00 0.00 C ATOM 845 O GLU A 55 7.311 -6.659 4.593 1.00 0.00 O ATOM 846 CB GLU A 55 7.252 -8.053 7.491 1.00 0.00 C ATOM 847 CG GLU A 55 6.619 -9.436 7.298 1.00 0.00 C ATOM 848 CD GLU A 55 7.621 -10.516 7.701 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.723 -10.789 8.885 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.270 -11.054 6.818 1.00 0.00 O ATOM 0 H GLU A 55 4.716 -7.876 7.667 1.00 0.00 H new ATOM 0 HA GLU A 55 6.837 -5.995 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.262 -8.050 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.339 -7.833 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.715 -9.521 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.323 -9.570 6.258 1.00 0.00 H new ATOM 857 N GLU A 56 5.467 -7.959 4.780 1.00 0.00 N ATOM 858 CA GLU A 56 5.381 -8.234 3.346 1.00 0.00 C ATOM 859 C GLU A 56 4.977 -6.975 2.580 1.00 0.00 C ATOM 860 O GLU A 56 5.681 -6.549 1.662 1.00 0.00 O ATOM 861 CB GLU A 56 4.362 -9.346 3.062 1.00 0.00 C ATOM 862 CG GLU A 56 4.586 -9.906 1.653 1.00 0.00 C ATOM 863 CD GLU A 56 5.925 -10.642 1.597 1.00 0.00 C ATOM 864 OE1 GLU A 56 5.974 -11.777 2.040 1.00 0.00 O ATOM 865 OE2 GLU A 56 6.880 -10.054 1.113 1.00 0.00 O ATOM 0 H GLU A 56 4.738 -8.401 5.340 1.00 0.00 H new ATOM 0 HA GLU A 56 6.366 -8.560 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.463 -10.142 3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.348 -8.955 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.776 -10.585 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.575 -9.096 0.923 1.00 0.00 H new ATOM 872 N LEU A 57 3.841 -6.376 2.971 1.00 0.00 N ATOM 873 CA LEU A 57 3.369 -5.155 2.312 1.00 0.00 C ATOM 874 C LEU A 57 4.402 -4.030 2.447 1.00 0.00 C ATOM 875 O LEU A 57 4.490 -3.156 1.585 1.00 0.00 O ATOM 876 CB LEU A 57 2.033 -4.695 2.907 1.00 0.00 C ATOM 877 CG LEU A 57 2.070 -4.272 4.382 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.318 -2.764 4.485 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.730 -4.613 5.037 1.00 0.00 C ATOM 0 H LEU A 57 3.244 -6.712 3.727 1.00 0.00 H new ATOM 0 HA LEU A 57 3.227 -5.384 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.663 -3.856 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.311 -5.504 2.798 1.00 0.00 H new ATOM 0 HG LEU A 57 2.875 -4.802 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.343 -2.470 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.271 -2.519 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.516 -2.228 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.751 -4.315 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.071 -4.081 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.555 -5.687 4.969 1.00 0.00 H new ATOM 891 N GLN A 58 5.189 -4.071 3.533 1.00 0.00 N ATOM 892 CA GLN A 58 6.221 -3.056 3.766 1.00 0.00 C ATOM 893 C GLN A 58 7.184 -2.989 2.578 1.00 0.00 C ATOM 894 O GLN A 58 7.517 -1.904 2.097 1.00 0.00 O ATOM 895 CB GLN A 58 7.020 -3.375 5.036 1.00 0.00 C ATOM 896 CG GLN A 58 7.014 -2.160 5.970 1.00 0.00 C ATOM 897 CD GLN A 58 7.732 -0.991 5.299 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.953 -0.866 5.397 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.040 -0.121 4.614 1.00 0.00 N ATOM 0 H GLN A 58 5.130 -4.789 4.255 1.00 0.00 H new ATOM 0 HA GLN A 58 5.721 -2.095 3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.587 -4.237 5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.045 -3.640 4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.989 -1.880 6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.505 -2.410 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.029 -0.224 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.511 0.662 4.160 1.00 0.00 H new ATOM 908 N GLU A 59 7.619 -4.164 2.112 1.00 0.00 N ATOM 909 CA GLU A 59 8.538 -4.242 0.972 1.00 0.00 C ATOM 910 C GLU A 59 7.889 -3.673 -0.290 1.00 0.00 C ATOM 911 O GLU A 59 8.539 -2.978 -1.071 1.00 0.00 O ATOM 912 CB GLU A 59 8.943 -5.695 0.699 1.00 0.00 C ATOM 913 CG GLU A 59 9.884 -6.190 1.800 1.00 0.00 C ATOM 914 CD GLU A 59 9.786 -7.710 1.901 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.512 -8.380 1.183 1.00 0.00 O ATOM 916 OE2 GLU A 59 8.984 -8.183 2.690 1.00 0.00 O ATOM 0 H GLU A 59 7.352 -5.068 2.503 1.00 0.00 H new ATOM 0 HA GLU A 59 9.421 -3.656 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.056 -6.327 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.434 -5.768 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.909 -5.894 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.619 -5.733 2.753 1.00 0.00 H new ATOM 923 N MET A 60 6.599 -3.980 -0.477 1.00 0.00 N ATOM 924 CA MET A 60 5.859 -3.502 -1.649 1.00 0.00 C ATOM 925 C MET A 60 5.791 -1.974 -1.665 1.00 0.00 C ATOM 926 O MET A 60 5.977 -1.348 -2.707 1.00 0.00 O ATOM 927 CB MET A 60 4.435 -4.069 -1.652 1.00 0.00 C ATOM 928 CG MET A 60 4.454 -5.494 -2.206 1.00 0.00 C ATOM 929 SD MET A 60 2.783 -6.188 -2.148 1.00 0.00 S ATOM 930 CE MET A 60 3.254 -7.888 -1.744 1.00 0.00 C ATOM 0 H MET A 60 6.050 -4.553 0.164 1.00 0.00 H new ATOM 0 HA MET A 60 6.389 -3.844 -2.538 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.029 -4.066 -0.640 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.783 -3.440 -2.259 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.823 -5.492 -3.232 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.136 -6.113 -1.623 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.529 -8.579 -2.175 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.243 -8.098 -2.152 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.274 -8.013 -0.661 1.00 0.00 H new ATOM 940 N ILE A 61 5.520 -1.387 -0.494 1.00 0.00 N ATOM 941 CA ILE A 61 5.423 0.068 -0.363 1.00 0.00 C ATOM 942 C ILE A 61 6.697 0.756 -0.860 1.00 0.00 C ATOM 943 O ILE A 61 6.678 1.458 -1.870 1.00 0.00 O ATOM 944 CB ILE A 61 5.188 0.433 1.104 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.786 -0.016 1.508 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.328 1.944 1.298 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.801 -0.465 2.966 1.00 0.00 C ATOM 0 H ILE A 61 5.364 -1.898 0.375 1.00 0.00 H new ATOM 0 HA ILE A 61 4.588 0.411 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 61 5.928 -0.067 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.077 0.801 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.455 -0.833 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.159 2.194 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.331 2.257 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.594 2.460 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.801 -0.786 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.498 -1.295 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.115 0.365 3.599 1.00 0.00 H new ATOM 959 N ASP A 62 7.798 0.553 -0.131 1.00 0.00 N ATOM 960 CA ASP A 62 9.083 1.161 -0.496 1.00 0.00 C ATOM 961 C ASP A 62 9.450 0.849 -1.952 1.00 0.00 C ATOM 962 O ASP A 62 10.032 1.684 -2.647 1.00 0.00 O ATOM 963 CB ASP A 62 10.204 0.644 0.417 1.00 0.00 C ATOM 964 CG ASP A 62 9.970 1.120 1.849 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.153 2.301 2.102 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.615 0.294 2.674 1.00 0.00 O ATOM 0 H ASP A 62 7.827 -0.023 0.710 1.00 0.00 H new ATOM 0 HA ASP A 62 8.977 2.239 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.236 -0.445 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.170 1.001 0.059 1.00 0.00 H new ATOM 971 N GLU A 63 9.102 -0.363 -2.405 1.00 0.00 N ATOM 972 CA GLU A 63 9.399 -0.778 -3.780 1.00 0.00 C ATOM 973 C GLU A 63 8.666 0.104 -4.795 1.00 0.00 C ATOM 974 O GLU A 63 9.265 0.577 -5.763 1.00 0.00 O ATOM 975 CB GLU A 63 8.988 -2.238 -4.006 1.00 0.00 C ATOM 976 CG GLU A 63 10.148 -3.166 -3.630 1.00 0.00 C ATOM 977 CD GLU A 63 11.110 -3.296 -4.807 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.844 -4.107 -5.680 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.100 -2.582 -4.818 1.00 0.00 O ATOM 0 H GLU A 63 8.620 -1.066 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 63 10.474 -0.672 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.110 -2.476 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.711 -2.391 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.674 -2.771 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.765 -4.148 -3.352 1.00 0.00 H new ATOM 986 N VAL A 64 7.364 0.315 -4.568 1.00 0.00 N ATOM 987 CA VAL A 64 6.557 1.140 -5.478 1.00 0.00 C ATOM 988 C VAL A 64 6.793 2.636 -5.242 1.00 0.00 C ATOM 989 O VAL A 64 6.491 3.457 -6.110 1.00 0.00 O ATOM 990 CB VAL A 64 5.056 0.843 -5.323 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.800 -0.656 -5.497 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.568 1.283 -3.937 1.00 0.00 C ATOM 0 H VAL A 64 6.851 -0.068 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 64 6.873 0.884 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 64 4.512 1.397 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.735 -0.859 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.127 -0.968 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.356 -1.210 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.504 1.067 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.119 0.741 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.733 2.354 -3.816 1.00 0.00 H new ATOM 1002 N ASP A 65 7.325 2.985 -4.060 1.00 0.00 N ATOM 1003 CA ASP A 65 7.585 4.385 -3.728 1.00 0.00 C ATOM 1004 C ASP A 65 8.695 4.941 -4.624 1.00 0.00 C ATOM 1005 O ASP A 65 9.880 4.889 -4.284 1.00 0.00 O ATOM 1006 CB ASP A 65 7.993 4.523 -2.252 1.00 0.00 C ATOM 1007 CG ASP A 65 7.328 5.751 -1.620 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.153 6.745 -2.310 1.00 0.00 O ATOM 1009 OD2 ASP A 65 7.007 5.680 -0.446 1.00 0.00 O ATOM 0 H ASP A 65 7.579 2.321 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 65 6.670 4.953 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.706 3.625 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.077 4.610 -2.175 1.00 0.00 H new ATOM 1014 N GLU A 66 8.286 5.462 -5.783 1.00 0.00 N ATOM 1015 CA GLU A 66 9.231 6.020 -6.756 1.00 0.00 C ATOM 1016 C GLU A 66 9.893 7.293 -6.225 1.00 0.00 C ATOM 1017 O GLU A 66 11.069 7.549 -6.487 1.00 0.00 O ATOM 1018 CB GLU A 66 8.511 6.351 -8.069 1.00 0.00 C ATOM 1019 CG GLU A 66 8.098 5.053 -8.774 1.00 0.00 C ATOM 1020 CD GLU A 66 6.758 5.252 -9.479 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.769 5.681 -10.622 1.00 0.00 O ATOM 1022 OE2 GLU A 66 5.740 4.970 -8.866 1.00 0.00 O ATOM 0 H GLU A 66 7.309 5.510 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 66 10.000 5.267 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.632 6.963 -7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.165 6.935 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.860 4.762 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.021 4.243 -8.049 1.00 0.00 H new ATOM 1029 N ASP A 67 9.120 8.091 -5.487 1.00 0.00 N ATOM 1030 CA ASP A 67 9.632 9.349 -4.930 1.00 0.00 C ATOM 1031 C ASP A 67 10.174 9.156 -3.512 1.00 0.00 C ATOM 1032 O ASP A 67 11.204 9.728 -3.154 1.00 0.00 O ATOM 1033 CB ASP A 67 8.536 10.429 -4.902 1.00 0.00 C ATOM 1034 CG ASP A 67 7.185 9.814 -4.528 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.899 9.731 -3.346 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.459 9.431 -5.432 1.00 0.00 O ATOM 0 H ASP A 67 8.145 7.893 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 67 10.445 9.673 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.800 11.205 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.466 10.909 -5.878 1.00 0.00 H new ATOM 1041 N GLY A 68 9.465 8.362 -2.704 1.00 0.00 N ATOM 1042 CA GLY A 68 9.881 8.122 -1.322 1.00 0.00 C ATOM 1043 C GLY A 68 9.577 9.349 -0.465 1.00 0.00 C ATOM 1044 O GLY A 68 10.426 9.818 0.295 1.00 0.00 O ATOM 0 H GLY A 68 8.610 7.880 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.361 7.251 -0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.947 7.899 -1.288 1.00 0.00 H new ATOM 1048 N SER A 69 8.354 9.868 -0.612 1.00 0.00 N ATOM 1049 CA SER A 69 7.929 11.054 0.135 1.00 0.00 C ATOM 1050 C SER A 69 7.186 10.667 1.413 1.00 0.00 C ATOM 1051 O SER A 69 7.464 11.197 2.492 1.00 0.00 O ATOM 1052 CB SER A 69 7.011 11.925 -0.730 1.00 0.00 C ATOM 1053 OG SER A 69 5.886 11.161 -1.156 1.00 0.00 O ATOM 0 H SER A 69 7.645 9.487 -1.238 1.00 0.00 H new ATOM 0 HA SER A 69 8.826 11.612 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.679 12.795 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.558 12.299 -1.596 1.00 0.00 H new ATOM 0 HG SER A 69 6.140 10.604 -1.922 1.00 0.00 H new ATOM 1059 N GLY A 70 6.230 9.745 1.275 1.00 0.00 N ATOM 1060 CA GLY A 70 5.433 9.293 2.416 1.00 0.00 C ATOM 1061 C GLY A 70 4.016 8.895 1.990 1.00 0.00 C ATOM 1062 O GLY A 70 3.323 8.181 2.718 1.00 0.00 O ATOM 0 H GLY A 70 5.991 9.299 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.924 8.443 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.380 10.087 3.161 1.00 0.00 H new ATOM 1066 N THR A 71 3.589 9.360 0.807 1.00 0.00 N ATOM 1067 CA THR A 71 2.253 9.039 0.304 1.00 0.00 C ATOM 1068 C THR A 71 2.346 8.213 -0.976 1.00 0.00 C ATOM 1069 O THR A 71 3.290 8.355 -1.759 1.00 0.00 O ATOM 1070 CB THR A 71 1.452 10.314 0.014 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.120 11.086 -0.980 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.311 11.133 1.298 1.00 0.00 C ATOM 0 H THR A 71 4.145 9.952 0.190 1.00 0.00 H new ATOM 0 HA THR A 71 1.743 8.463 1.076 1.00 0.00 H new ATOM 0 HB THR A 71 0.461 10.043 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.461 11.455 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.742 12.039 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.791 10.542 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.300 11.403 1.668 1.00 0.00 H new ATOM 1080 N VAL A 72 1.350 7.351 -1.177 1.00 0.00 N ATOM 1081 CA VAL A 72 1.311 6.497 -2.362 1.00 0.00 C ATOM 1082 C VAL A 72 0.258 7.002 -3.345 1.00 0.00 C ATOM 1083 O VAL A 72 -0.943 6.938 -3.076 1.00 0.00 O ATOM 1084 CB VAL A 72 0.978 5.052 -1.971 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.070 4.148 -3.204 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.967 4.567 -0.911 1.00 0.00 C ATOM 0 H VAL A 72 0.564 7.226 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 72 2.294 6.527 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.035 5.014 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.833 3.122 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.362 4.490 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.081 4.188 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.729 3.540 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.980 4.609 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.898 5.205 -0.030 1.00 0.00 H new ATOM 1096 N ASP A 73 0.724 7.490 -4.493 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.182 7.990 -5.525 1.00 0.00 C ATOM 1098 C ASP A 73 -0.655 6.829 -6.397 1.00 0.00 C ATOM 1099 O ASP A 73 -0.291 5.677 -6.159 1.00 0.00 O ATOM 1100 CB ASP A 73 0.519 9.035 -6.401 1.00 0.00 C ATOM 1101 CG ASP A 73 0.762 10.306 -5.588 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.783 10.376 -4.921 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -0.078 11.190 -5.642 1.00 0.00 O ATOM 0 H ASP A 73 1.714 7.550 -4.731 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.037 8.459 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.466 8.640 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.093 9.261 -7.274 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.475 7.134 -7.405 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.993 6.090 -8.296 1.00 0.00 C ATOM 1110 C PHE A 74 -0.864 5.451 -9.109 1.00 0.00 C ATOM 1111 O PHE A 74 -0.902 4.255 -9.394 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.044 6.656 -9.253 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.979 5.550 -9.680 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.611 4.757 -8.715 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.216 5.322 -11.038 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.481 3.735 -9.109 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.088 4.301 -11.434 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.721 3.507 -10.469 1.00 0.00 C ATOM 0 H PHE A 74 -1.791 8.079 -7.624 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.455 5.329 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.605 7.453 -8.765 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.559 7.095 -10.125 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.427 4.934 -7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.727 5.933 -11.782 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.967 3.122 -8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.273 4.125 -12.484 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.394 2.719 -10.774 1.00 0.00 H new ATOM 1128 N ASP A 75 0.151 6.250 -9.461 1.00 0.00 N ATOM 1129 CA ASP A 75 1.294 5.727 -10.218 1.00 0.00 C ATOM 1130 C ASP A 75 2.033 4.686 -9.375 1.00 0.00 C ATOM 1131 O ASP A 75 2.512 3.676 -9.892 1.00 0.00 O ATOM 1132 CB ASP A 75 2.264 6.855 -10.593 1.00 0.00 C ATOM 1133 CG ASP A 75 1.920 7.386 -11.982 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.405 6.821 -12.949 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.175 8.350 -12.059 1.00 0.00 O ATOM 0 H ASP A 75 0.205 7.244 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 75 0.920 5.269 -11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.203 7.659 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.290 6.486 -10.577 1.00 0.00 H new ATOM 1140 N GLU A 76 2.093 4.942 -8.064 1.00 0.00 N ATOM 1141 CA GLU A 76 2.746 4.026 -7.126 1.00 0.00 C ATOM 1142 C GLU A 76 1.779 2.901 -6.726 1.00 0.00 C ATOM 1143 O GLU A 76 2.201 1.820 -6.316 1.00 0.00 O ATOM 1144 CB GLU A 76 3.200 4.780 -5.866 1.00 0.00 C ATOM 1145 CG GLU A 76 3.805 6.131 -6.269 1.00 0.00 C ATOM 1146 CD GLU A 76 4.192 6.932 -5.026 1.00 0.00 C ATOM 1147 OE1 GLU A 76 5.002 6.449 -4.255 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.676 8.024 -4.867 1.00 0.00 O ATOM 0 H GLU A 76 1.697 5.776 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 76 3.619 3.597 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.354 4.934 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.935 4.188 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.683 5.972 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.087 6.695 -6.864 1.00 0.00 H new ATOM 1155 N PHE A 77 0.474 3.175 -6.857 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.563 2.195 -6.521 1.00 0.00 C ATOM 1157 C PHE A 77 -0.701 1.142 -7.633 1.00 0.00 C ATOM 1158 O PHE A 77 -0.943 -0.036 -7.359 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.907 2.916 -6.328 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.932 1.980 -5.729 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.881 1.655 -4.365 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.937 1.440 -6.540 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.836 0.789 -3.818 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.892 0.575 -5.991 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.840 0.249 -4.631 1.00 0.00 C ATOM 0 H PHE A 77 0.113 4.068 -7.193 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.277 1.690 -5.598 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.772 3.780 -5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.265 3.291 -7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.107 2.072 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.976 1.691 -7.590 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.798 0.537 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.668 0.160 -6.617 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.575 -0.420 -4.208 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.558 1.583 -8.891 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.684 0.683 -10.046 1.00 0.00 C ATOM 1177 C LEU A 78 0.538 -0.229 -10.207 1.00 0.00 C ATOM 1178 O LEU A 78 0.396 -1.399 -10.569 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.863 1.493 -11.337 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.223 2.186 -11.508 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.536 2.335 -12.999 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.316 1.350 -10.839 1.00 0.00 C ATOM 0 H LEU A 78 -0.356 2.553 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.559 0.060 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.082 2.252 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.706 0.827 -12.186 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.186 3.171 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.501 2.827 -13.121 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.760 2.935 -13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.570 1.350 -13.464 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.279 1.845 -10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.353 0.363 -11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.095 1.246 -9.777 1.00 0.00 H new ATOM 1194 N VAL A 79 1.735 0.314 -9.952 1.00 0.00 N ATOM 1195 CA VAL A 79 2.973 -0.474 -10.092 1.00 0.00 C ATOM 1196 C VAL A 79 2.952 -1.723 -9.206 1.00 0.00 C ATOM 1197 O VAL A 79 3.602 -2.718 -9.519 1.00 0.00 O ATOM 1198 CB VAL A 79 4.218 0.354 -9.744 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.516 1.336 -10.877 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.999 1.128 -8.441 1.00 0.00 C ATOM 0 H VAL A 79 1.876 1.279 -9.652 1.00 0.00 H new ATOM 0 HA VAL A 79 3.022 -0.774 -11.139 1.00 0.00 H new ATOM 0 HB VAL A 79 5.062 -0.323 -9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.400 1.922 -10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.696 0.784 -11.799 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.665 2.003 -11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.891 1.710 -8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.148 1.799 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.802 0.427 -7.630 1.00 0.00 H new ATOM 1210 N MET A 80 2.205 -1.657 -8.100 1.00 0.00 N ATOM 1211 CA MET A 80 2.102 -2.789 -7.165 1.00 0.00 C ATOM 1212 C MET A 80 1.741 -4.098 -7.884 1.00 0.00 C ATOM 1213 O MET A 80 2.155 -5.179 -7.462 1.00 0.00 O ATOM 1214 CB MET A 80 1.030 -2.504 -6.108 1.00 0.00 C ATOM 1215 CG MET A 80 1.691 -2.038 -4.810 1.00 0.00 C ATOM 1216 SD MET A 80 0.673 -2.540 -3.398 1.00 0.00 S ATOM 1217 CE MET A 80 -0.794 -1.558 -3.802 1.00 0.00 C ATOM 0 H MET A 80 1.663 -0.837 -7.828 1.00 0.00 H new ATOM 0 HA MET A 80 3.080 -2.906 -6.698 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.343 -1.740 -6.471 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.440 -3.402 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.689 -2.468 -4.723 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.810 -0.955 -4.819 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.561 -1.722 -3.045 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.529 -0.501 -3.827 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.176 -1.860 -4.777 1.00 0.00 H new ATOM 1227 N MET A 81 0.961 -3.993 -8.964 1.00 0.00 N ATOM 1228 CA MET A 81 0.548 -5.180 -9.722 1.00 0.00 C ATOM 1229 C MET A 81 1.653 -5.646 -10.674 1.00 0.00 C ATOM 1230 O MET A 81 2.008 -6.826 -10.697 1.00 0.00 O ATOM 1231 CB MET A 81 -0.715 -4.880 -10.540 1.00 0.00 C ATOM 1232 CG MET A 81 -1.956 -5.217 -9.712 1.00 0.00 C ATOM 1233 SD MET A 81 -2.200 -7.013 -9.691 1.00 0.00 S ATOM 1234 CE MET A 81 -2.019 -7.253 -7.906 1.00 0.00 C ATOM 0 H MET A 81 0.606 -3.110 -9.331 1.00 0.00 H new ATOM 0 HA MET A 81 0.345 -5.971 -9.000 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.732 -3.829 -10.828 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.711 -5.463 -11.461 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.840 -4.843 -8.695 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.832 -4.725 -10.134 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.440 -8.218 -7.624 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.962 -7.227 -7.641 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.545 -6.459 -7.377 1.00 0.00 H new ATOM 1244 N VAL A 82 2.174 -4.709 -11.472 1.00 0.00 N ATOM 1245 CA VAL A 82 3.226 -5.031 -12.451 1.00 0.00 C ATOM 1246 C VAL A 82 4.550 -5.415 -11.776 1.00 0.00 C ATOM 1247 O VAL A 82 5.312 -6.216 -12.320 1.00 0.00 O ATOM 1248 CB VAL A 82 3.468 -3.853 -13.402 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.243 -3.661 -14.299 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.711 -2.571 -12.600 1.00 0.00 C ATOM 0 H VAL A 82 1.890 -3.729 -11.463 1.00 0.00 H new ATOM 0 HA VAL A 82 2.869 -5.892 -13.017 1.00 0.00 H new ATOM 0 HB VAL A 82 4.345 -4.066 -14.014 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.415 -2.824 -14.975 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.072 -4.567 -14.880 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.369 -3.455 -13.682 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.882 -1.740 -13.285 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.839 -2.358 -11.981 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.585 -2.701 -11.962 1.00 0.00 H new ATOM 1260 N ARG A 83 4.822 -4.846 -10.593 1.00 0.00 N ATOM 1261 CA ARG A 83 6.065 -5.159 -9.874 1.00 0.00 C ATOM 1262 C ARG A 83 6.077 -6.623 -9.419 1.00 0.00 C ATOM 1263 O ARG A 83 7.142 -7.219 -9.249 1.00 0.00 O ATOM 1264 CB ARG A 83 6.254 -4.245 -8.653 1.00 0.00 C ATOM 1265 CG ARG A 83 5.109 -4.448 -7.653 1.00 0.00 C ATOM 1266 CD ARG A 83 5.552 -5.402 -6.539 1.00 0.00 C ATOM 1267 NE ARG A 83 4.468 -6.321 -6.180 1.00 0.00 N ATOM 1268 CZ ARG A 83 4.682 -7.414 -5.436 1.00 0.00 C ATOM 1269 NH1 ARG A 83 5.886 -7.704 -4.997 1.00 0.00 N ATOM 1270 NH2 ARG A 83 3.679 -8.201 -5.141 1.00 0.00 N ATOM 0 H ARG A 83 4.211 -4.179 -10.121 1.00 0.00 H new ATOM 0 HA ARG A 83 6.889 -4.989 -10.568 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.208 -4.462 -8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.287 -3.203 -8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.813 -3.490 -7.226 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.236 -4.853 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.423 -5.970 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.855 -4.829 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 83 3.522 -6.122 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.672 -7.094 -5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.035 -8.540 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.742 -7.980 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.835 -9.035 -4.575 1.00 0.00 H new ATOM 1284 N CYS A 84 4.880 -7.195 -9.231 1.00 0.00 N ATOM 1285 CA CYS A 84 4.762 -8.593 -8.806 1.00 0.00 C ATOM 1286 C CYS A 84 5.289 -9.538 -9.893 1.00 0.00 C ATOM 1287 O CYS A 84 5.803 -10.617 -9.590 1.00 0.00 O ATOM 1288 CB CYS A 84 3.300 -8.943 -8.506 1.00 0.00 C ATOM 1289 SG CYS A 84 3.229 -10.445 -7.495 1.00 0.00 S ATOM 0 H CYS A 84 3.990 -6.716 -9.365 1.00 0.00 H new ATOM 0 HA CYS A 84 5.358 -8.716 -7.902 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.818 -8.117 -7.983 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.753 -9.093 -9.437 1.00 0.00 H new ATOM 0 HG CYS A 84 1.988 -10.738 -7.240 1.00 0.00 H new ATOM 1295 N MET A 85 5.158 -9.122 -11.161 1.00 0.00 N ATOM 1296 CA MET A 85 5.628 -9.939 -12.283 1.00 0.00 C ATOM 1297 C MET A 85 7.150 -10.069 -12.254 1.00 0.00 C ATOM 1298 O MET A 85 7.684 -11.170 -12.099 1.00 0.00 O ATOM 1299 CB MET A 85 5.205 -9.315 -13.617 1.00 0.00 C ATOM 1300 CG MET A 85 3.778 -9.747 -13.961 1.00 0.00 C ATOM 1301 SD MET A 85 3.246 -8.915 -15.478 1.00 0.00 S ATOM 1302 CE MET A 85 1.464 -9.104 -15.230 1.00 0.00 C ATOM 0 H MET A 85 4.735 -8.234 -11.431 1.00 0.00 H new ATOM 0 HA MET A 85 5.179 -10.928 -12.186 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.261 -8.228 -13.555 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.889 -9.625 -14.407 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.735 -10.828 -14.092 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.104 -9.499 -13.141 1.00 0.00 H new ATOM 0 HE1 MET A 85 0.930 -8.652 -16.066 1.00 0.00 H new ATOM 0 HE2 MET A 85 1.215 -10.164 -15.171 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.171 -8.610 -14.303 1.00 0.00 H new ATOM 1312 N LYS A 86 7.842 -8.929 -12.401 1.00 0.00 N ATOM 1313 CA LYS A 86 9.311 -8.909 -12.391 1.00 0.00 C ATOM 1314 C LYS A 86 9.883 -9.714 -13.564 1.00 0.00 C ATOM 1315 O LYS A 86 9.145 -10.326 -14.342 1.00 0.00 O ATOM 1316 CB LYS A 86 9.852 -9.482 -11.073 1.00 0.00 C ATOM 1317 CG LYS A 86 10.247 -8.337 -10.135 1.00 0.00 C ATOM 1318 CD LYS A 86 11.718 -7.961 -10.359 1.00 0.00 C ATOM 1319 CE LYS A 86 12.508 -8.155 -9.059 1.00 0.00 C ATOM 1320 NZ LYS A 86 12.841 -9.599 -8.879 1.00 0.00 N ATOM 0 H LYS A 86 7.410 -8.014 -12.528 1.00 0.00 H new ATOM 0 HA LYS A 86 9.624 -7.870 -12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.095 -10.108 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.715 -10.118 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.610 -7.471 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.093 -8.635 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.144 -8.578 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.792 -6.925 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.422 -7.562 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.923 -7.799 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.376 -9.724 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.963 -10.155 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.416 -9.925 -9.682 1.00 0.00 H new ATOM 1334 N ASP A 87 11.212 -9.703 -13.682 1.00 0.00 N ATOM 1335 CA ASP A 87 11.887 -10.431 -14.756 1.00 0.00 C ATOM 1336 C ASP A 87 12.890 -11.438 -14.179 1.00 0.00 C ATOM 1337 O ASP A 87 13.940 -11.699 -14.771 1.00 0.00 O ATOM 1338 CB ASP A 87 12.616 -9.450 -15.690 1.00 0.00 C ATOM 1339 CG ASP A 87 13.464 -8.470 -14.873 1.00 0.00 C ATOM 1340 OD1 ASP A 87 14.618 -8.782 -14.619 1.00 0.00 O ATOM 1341 OD2 ASP A 87 12.947 -7.423 -14.514 1.00 0.00 O ATOM 0 H ASP A 87 11.838 -9.202 -13.052 1.00 0.00 H new ATOM 0 HA ASP A 87 11.133 -10.973 -15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.251 -10.001 -16.383 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.890 -8.901 -16.290 1.00 0.00 H new ATOM 1346 N ASP A 88 12.550 -12.002 -13.011 1.00 0.00 N ATOM 1347 CA ASP A 88 13.417 -12.979 -12.341 1.00 0.00 C ATOM 1348 C ASP A 88 14.777 -12.358 -11.988 1.00 0.00 C ATOM 1349 O ASP A 88 15.798 -13.051 -11.938 1.00 0.00 O ATOM 1350 CB ASP A 88 13.631 -14.208 -13.232 1.00 0.00 C ATOM 1351 CG ASP A 88 13.607 -15.471 -12.375 1.00 0.00 C ATOM 1352 OD1 ASP A 88 14.631 -15.792 -11.796 1.00 0.00 O ATOM 1353 OD2 ASP A 88 12.563 -16.099 -12.309 1.00 0.00 O ATOM 0 H ASP A 88 11.683 -11.799 -12.513 1.00 0.00 H new ATOM 0 HA ASP A 88 12.922 -13.285 -11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.853 -14.258 -13.993 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.584 -14.129 -13.755 1.00 0.00 H new ATOM 1358 N SER A 89 14.776 -11.042 -11.743 1.00 0.00 N ATOM 1359 CA SER A 89 16.009 -10.328 -11.396 1.00 0.00 C ATOM 1360 C SER A 89 15.684 -8.924 -10.882 1.00 0.00 C ATOM 1361 O SER A 89 15.031 -8.182 -11.601 1.00 0.00 O ATOM 1362 CB SER A 89 16.926 -10.218 -12.618 1.00 0.00 C ATOM 1363 OG SER A 89 17.952 -11.201 -12.528 1.00 0.00 O ATOM 1364 OXT SER A 89 16.087 -8.614 -9.773 1.00 0.00 O ATOM 0 H SER A 89 13.943 -10.455 -11.778 1.00 0.00 H new ATOM 0 HA SER A 89 16.518 -10.891 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.350 -10.360 -13.533 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.365 -9.222 -12.669 1.00 0.00 H new ATOM 0 HG SER A 89 17.553 -12.073 -12.328 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 5.272 8.824 -2.696 1.00 0.00 CA