USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ 140:sc= -4.09! (180deg=-0.589) USER MOD Set 1.2: A 84 MET CE :methyl 170:sc= -8.58! (180deg=-5.03!) USER MOD Set 2.1: A 9 THR OG1 : rot -146:sc= -1.38! USER MOD Set 2.2: A 16 CYS SG : rot 7:sc= -4.97! USER MOD Single : A 1 MET CE :methyl 170:sc= -7.82! (180deg=-7.87!) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.0892! (180deg=-0.267!) USER MOD Single : A 4 ASN : amide:sc= -8.85! C(o=-8.9!,f=-7.8!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.029 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -3.47! USER MOD Single : A 15 TYR OH : rot 110:sc= -2.91! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -100:sc= -0.468 (180deg=-1.29!) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= -3.18! (180deg=-4.29!) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= -0.301 (180deg=-2.22!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -10.1! (180deg=-13.1!) USER MOD Single : A 51 TYR OH : rot -165:sc= -6.8! USER MOD Single : A 54 MET CE :methyl -147:sc= -0.0846 (180deg=-1.26) USER MOD Single : A 62 ASN : amide:sc= -13.3! C(o=-13!,f=-25!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.427 K(o=-0.43,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.529 -3.422 9.784 1.00 0.00 N ATOM 2 CA MET A 1 -10.926 -2.640 8.572 1.00 0.00 C ATOM 3 C MET A 1 -11.066 -3.556 7.355 1.00 0.00 C ATOM 4 O MET A 1 -10.516 -4.640 7.300 1.00 0.00 O ATOM 5 CB MET A 1 -9.791 -1.625 8.348 1.00 0.00 C ATOM 6 CG MET A 1 -8.599 -2.284 7.626 1.00 0.00 C ATOM 7 SD MET A 1 -8.210 -3.898 8.349 1.00 0.00 S ATOM 8 CE MET A 1 -7.257 -3.291 9.759 1.00 0.00 C ATOM 0 H1 MET A 1 -10.308 -2.768 10.562 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.312 -4.045 10.067 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.690 -3.997 9.567 1.00 0.00 H new ATOM 0 HA MET A 1 -11.890 -2.151 8.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.159 -0.785 7.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.463 -1.222 9.306 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.831 -2.403 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.727 -1.634 7.690 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.063 -4.113 10.448 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.310 -2.880 9.408 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.822 -2.513 10.273 1.00 0.00 H new ATOM 20 N VAL A 2 -11.781 -3.122 6.369 1.00 0.00 N ATOM 21 CA VAL A 2 -11.939 -3.961 5.149 1.00 0.00 C ATOM 22 C VAL A 2 -10.707 -3.831 4.251 1.00 0.00 C ATOM 23 O VAL A 2 -9.710 -4.504 4.439 1.00 0.00 O ATOM 24 CB VAL A 2 -13.196 -3.434 4.443 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.198 -1.896 4.486 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.202 -3.927 2.981 1.00 0.00 C ATOM 0 H VAL A 2 -12.265 -2.225 6.348 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.038 -5.019 5.392 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.089 -3.804 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.090 -1.519 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.195 -1.561 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.310 -1.517 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.093 -3.555 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.313 -3.558 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.204 -5.017 2.965 1.00 0.00 H new ATOM 36 N VAL A 3 -10.777 -2.982 3.278 1.00 0.00 N ATOM 37 CA VAL A 3 -9.639 -2.799 2.365 1.00 0.00 C ATOM 38 C VAL A 3 -8.717 -1.714 2.897 1.00 0.00 C ATOM 39 O VAL A 3 -9.162 -0.637 3.231 1.00 0.00 O ATOM 40 CB VAL A 3 -10.289 -2.378 1.043 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.236 -1.868 0.068 1.00 0.00 C ATOM 42 CG2 VAL A 3 -10.985 -3.579 0.424 1.00 0.00 C ATOM 0 H VAL A 3 -11.589 -2.399 3.076 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.027 -3.694 2.253 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.006 -1.582 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.716 -1.574 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.726 -1.007 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.511 -2.657 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.449 -3.285 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.255 -4.367 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.751 -3.948 1.107 1.00 0.00 H new ATOM 52 N ASN A 4 -7.445 -1.970 2.999 1.00 0.00 N ATOM 53 CA ASN A 4 -6.524 -0.928 3.538 1.00 0.00 C ATOM 54 C ASN A 4 -5.173 -1.098 2.891 1.00 0.00 C ATOM 55 O ASN A 4 -4.415 -2.010 3.208 1.00 0.00 O ATOM 56 CB ASN A 4 -6.371 -1.239 5.035 1.00 0.00 C ATOM 57 CG ASN A 4 -7.217 -0.313 5.896 1.00 0.00 C ATOM 58 OD1 ASN A 4 -6.785 0.124 6.949 1.00 0.00 O ATOM 59 ND2 ASN A 4 -8.399 0.000 5.496 1.00 0.00 N ATOM 0 H ASN A 4 -7.002 -2.850 2.735 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.900 0.079 3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.660 -2.273 5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.323 -1.144 5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.982 0.618 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.753 -0.370 4.614 1.00 0.00 H new ATOM 66 N ILE A 5 -4.936 -0.250 1.947 1.00 0.00 N ATOM 67 CA ILE A 5 -3.683 -0.246 1.142 1.00 0.00 C ATOM 68 C ILE A 5 -2.944 1.091 1.165 1.00 0.00 C ATOM 69 O ILE A 5 -3.542 2.126 1.019 1.00 0.00 O ATOM 70 CB ILE A 5 -4.104 -0.664 -0.273 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.557 -1.161 -0.232 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.173 -1.795 -0.713 1.00 0.00 C ATOM 73 CD1 ILE A 5 -5.760 -2.329 -1.180 1.00 0.00 C ATOM 0 H ILE A 5 -5.593 0.484 1.682 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.954 -0.938 1.565 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.038 0.171 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.813 -1.464 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.231 -0.348 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.444 -2.119 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.143 -1.440 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.268 -2.634 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.797 -2.661 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.527 -2.016 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.102 -3.149 -0.893 1.00 0.00 H new ATOM 85 N GLU A 6 -1.655 1.127 1.261 1.00 0.00 N ATOM 86 CA GLU A 6 -1.049 2.463 1.192 1.00 0.00 C ATOM 87 C GLU A 6 0.097 2.352 0.224 1.00 0.00 C ATOM 88 O GLU A 6 1.000 1.566 0.411 1.00 0.00 O ATOM 89 CB GLU A 6 -0.523 2.710 2.615 1.00 0.00 C ATOM 90 CG GLU A 6 -0.047 4.159 2.816 1.00 0.00 C ATOM 91 CD GLU A 6 -0.141 4.545 4.310 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.242 4.807 4.763 1.00 0.00 O ATOM 93 OE2 GLU A 6 0.890 4.581 4.967 1.00 0.00 O ATOM 0 H GLU A 6 -1.025 0.333 1.378 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.720 3.261 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.309 2.485 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.302 2.027 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.981 4.264 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.656 4.837 2.218 1.00 0.00 H new ATOM 100 N VAL A 7 0.055 3.145 -0.827 1.00 0.00 N ATOM 101 CA VAL A 7 1.086 3.056 -1.871 1.00 0.00 C ATOM 102 C VAL A 7 1.888 4.312 -1.826 1.00 0.00 C ATOM 103 O VAL A 7 1.400 5.394 -2.101 1.00 0.00 O ATOM 104 CB VAL A 7 0.331 2.990 -3.250 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.827 1.985 -3.259 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.255 4.370 -3.579 1.00 0.00 C ATOM 0 H VAL A 7 -0.663 3.850 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 7 1.733 2.190 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 7 1.068 2.670 -3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.305 1.989 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.444 0.987 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.556 2.264 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.778 4.325 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.954 4.665 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.550 5.102 -3.641 1.00 0.00 H new ATOM 116 N PHE A 8 3.110 4.170 -1.422 1.00 0.00 N ATOM 117 CA PHE A 8 3.984 5.336 -1.299 1.00 0.00 C ATOM 118 C PHE A 8 5.149 5.215 -2.278 1.00 0.00 C ATOM 119 O PHE A 8 6.174 4.633 -1.989 1.00 0.00 O ATOM 120 CB PHE A 8 4.448 5.258 0.173 1.00 0.00 C ATOM 121 CG PHE A 8 5.882 5.724 0.320 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.171 7.083 0.419 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.924 4.789 0.343 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.500 7.512 0.547 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.259 5.223 0.464 1.00 0.00 C ATOM 126 CZ PHE A 8 8.541 6.584 0.569 1.00 0.00 C ATOM 0 H PHE A 8 3.539 3.279 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 8 3.506 6.287 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.797 5.872 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.357 4.233 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.370 7.807 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.704 3.734 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.719 8.566 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.063 4.502 0.475 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.563 6.919 0.667 1.00 0.00 H new ATOM 136 N THR A 9 5.013 5.804 -3.419 1.00 0.00 N ATOM 137 CA THR A 9 6.121 5.761 -4.406 1.00 0.00 C ATOM 138 C THR A 9 6.460 7.180 -4.825 1.00 0.00 C ATOM 139 O THR A 9 7.558 7.630 -4.647 1.00 0.00 O ATOM 140 CB THR A 9 5.589 4.958 -5.594 1.00 0.00 C ATOM 141 OG1 THR A 9 4.643 3.996 -5.135 1.00 0.00 O ATOM 142 CG2 THR A 9 6.747 4.253 -6.312 1.00 0.00 C ATOM 0 H THR A 9 4.183 6.316 -3.717 1.00 0.00 H new ATOM 0 HA THR A 9 7.025 5.305 -4.003 1.00 0.00 H new ATOM 0 HB THR A 9 5.101 5.635 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.706 3.187 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.359 3.684 -7.157 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.458 4.996 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.248 3.577 -5.618 1.00 0.00 H new ATOM 150 N SER A 10 5.525 7.900 -5.375 1.00 0.00 N ATOM 151 CA SER A 10 5.823 9.303 -5.793 1.00 0.00 C ATOM 152 C SER A 10 4.596 9.948 -6.431 1.00 0.00 C ATOM 153 O SER A 10 3.821 9.279 -7.084 1.00 0.00 O ATOM 154 CB SER A 10 6.955 9.203 -6.810 1.00 0.00 C ATOM 155 OG SER A 10 7.929 10.196 -6.514 1.00 0.00 O ATOM 0 H SER A 10 4.572 7.584 -5.554 1.00 0.00 H new ATOM 0 HA SER A 10 6.100 9.921 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.406 8.211 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.568 9.343 -7.819 1.00 0.00 H new ATOM 0 HG SER A 10 8.662 10.139 -7.162 1.00 0.00 H new ATOM 161 N PRO A 11 4.466 11.235 -6.216 1.00 0.00 N ATOM 162 CA PRO A 11 3.313 11.995 -6.760 1.00 0.00 C ATOM 163 C PRO A 11 3.497 12.241 -8.255 1.00 0.00 C ATOM 164 O PRO A 11 2.542 12.324 -9.003 1.00 0.00 O ATOM 165 CB PRO A 11 3.346 13.306 -5.983 1.00 0.00 C ATOM 166 CG PRO A 11 4.769 13.472 -5.549 1.00 0.00 C ATOM 167 CD PRO A 11 5.384 12.096 -5.461 1.00 0.00 C ATOM 0 HA PRO A 11 2.364 11.469 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.025 14.141 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.675 13.272 -5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.316 14.091 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.818 13.976 -4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.386 12.081 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.476 11.767 -4.426 1.00 0.00 H new ATOM 175 N THR A 12 4.722 12.350 -8.695 1.00 0.00 N ATOM 176 CA THR A 12 4.983 12.582 -10.143 1.00 0.00 C ATOM 177 C THR A 12 4.850 11.267 -10.919 1.00 0.00 C ATOM 178 O THR A 12 4.771 11.257 -12.132 1.00 0.00 O ATOM 179 CB THR A 12 6.424 13.106 -10.207 1.00 0.00 C ATOM 180 OG1 THR A 12 6.651 13.690 -11.486 1.00 0.00 O ATOM 181 CG2 THR A 12 7.421 11.958 -9.964 1.00 0.00 C ATOM 0 H THR A 12 5.556 12.288 -8.111 1.00 0.00 H new ATOM 0 HA THR A 12 4.276 13.284 -10.586 1.00 0.00 H new ATOM 0 HB THR A 12 6.571 13.858 -9.431 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.570 14.028 -11.533 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.439 12.344 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.244 11.524 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.287 11.192 -10.728 1.00 0.00 H new ATOM 189 N CYS A 13 4.832 10.157 -10.222 1.00 0.00 N ATOM 190 CA CYS A 13 4.714 8.841 -10.905 1.00 0.00 C ATOM 191 C CYS A 13 3.518 8.067 -10.341 1.00 0.00 C ATOM 192 O CYS A 13 2.835 8.543 -9.452 1.00 0.00 O ATOM 193 CB CYS A 13 6.036 8.117 -10.597 1.00 0.00 C ATOM 194 SG CYS A 13 6.826 7.600 -12.145 1.00 0.00 S ATOM 0 H CYS A 13 4.895 10.111 -9.205 1.00 0.00 H new ATOM 0 HA CYS A 13 4.549 8.936 -11.978 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.702 8.777 -10.041 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.847 7.248 -9.966 1.00 0.00 H new ATOM 0 HG CYS A 13 7.943 6.991 -11.880 1.00 0.00 H new ATOM 200 N PRO A 14 3.302 6.893 -10.881 1.00 0.00 N ATOM 201 CA PRO A 14 2.185 6.045 -10.435 1.00 0.00 C ATOM 202 C PRO A 14 2.594 5.253 -9.197 1.00 0.00 C ATOM 203 O PRO A 14 3.370 4.321 -9.278 1.00 0.00 O ATOM 204 CB PRO A 14 1.958 5.108 -11.614 1.00 0.00 C ATOM 205 CG PRO A 14 3.270 5.041 -12.334 1.00 0.00 C ATOM 206 CD PRO A 14 4.074 6.254 -11.948 1.00 0.00 C ATOM 0 HA PRO A 14 1.294 6.612 -10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.646 4.120 -11.275 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.171 5.484 -12.268 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.805 4.129 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.112 5.015 -13.412 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.069 5.975 -11.603 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.208 6.926 -12.796 1.00 0.00 H new ATOM 214 N TYR A 15 2.081 5.622 -8.059 1.00 0.00 N ATOM 215 CA TYR A 15 2.428 4.890 -6.801 1.00 0.00 C ATOM 216 C TYR A 15 2.238 3.378 -7.016 1.00 0.00 C ATOM 217 O TYR A 15 2.917 2.772 -7.817 1.00 0.00 O ATOM 218 CB TYR A 15 1.456 5.420 -5.731 1.00 0.00 C ATOM 219 CG TYR A 15 1.205 6.892 -5.922 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.103 7.827 -5.401 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.070 7.322 -6.633 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.871 9.195 -5.589 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.158 8.690 -6.825 1.00 0.00 C ATOM 224 CZ TYR A 15 0.742 9.626 -6.304 1.00 0.00 C ATOM 225 OH TYR A 15 0.518 10.972 -6.500 1.00 0.00 O ATOM 0 H TYR A 15 1.434 6.401 -7.940 1.00 0.00 H new ATOM 0 HA TYR A 15 3.464 5.046 -6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.514 4.875 -5.787 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.869 5.242 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.974 7.496 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.625 6.597 -7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.561 9.920 -5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.027 9.022 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 15 0.657 11.193 -7.445 1.00 0.00 H new ATOM 235 N CYS A 16 1.318 2.768 -6.318 1.00 0.00 N ATOM 236 CA CYS A 16 1.069 1.306 -6.498 1.00 0.00 C ATOM 237 C CYS A 16 -0.412 1.003 -6.227 1.00 0.00 C ATOM 238 O CYS A 16 -0.737 -0.008 -5.634 1.00 0.00 O ATOM 239 CB CYS A 16 1.961 0.616 -5.463 1.00 0.00 C ATOM 240 SG CYS A 16 3.696 0.752 -5.961 1.00 0.00 S ATOM 0 H CYS A 16 0.723 3.222 -5.625 1.00 0.00 H new ATOM 0 HA CYS A 16 1.292 0.963 -7.508 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.817 1.072 -4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.681 -0.433 -5.370 1.00 0.00 H new ATOM 0 HG CYS A 16 3.790 1.527 -7.001 1.00 0.00 H new ATOM 246 N PRO A 17 -1.268 1.901 -6.669 1.00 0.00 N ATOM 247 CA PRO A 17 -2.726 1.730 -6.465 1.00 0.00 C ATOM 248 C PRO A 17 -3.299 0.661 -7.406 1.00 0.00 C ATOM 249 O PRO A 17 -4.448 0.728 -7.802 1.00 0.00 O ATOM 250 CB PRO A 17 -3.299 3.103 -6.815 1.00 0.00 C ATOM 251 CG PRO A 17 -2.304 3.711 -7.748 1.00 0.00 C ATOM 252 CD PRO A 17 -0.963 3.148 -7.384 1.00 0.00 C ATOM 0 HA PRO A 17 -2.969 1.403 -5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.278 3.014 -7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.429 3.716 -5.923 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.553 3.477 -8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.304 4.797 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.358 2.959 -8.271 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.400 3.838 -6.755 1.00 0.00 H new ATOM 260 N MET A 18 -2.520 -0.315 -7.774 1.00 0.00 N ATOM 261 CA MET A 18 -3.032 -1.364 -8.693 1.00 0.00 C ATOM 262 C MET A 18 -3.276 -2.667 -7.932 1.00 0.00 C ATOM 263 O MET A 18 -4.361 -3.211 -7.955 1.00 0.00 O ATOM 264 CB MET A 18 -1.922 -1.544 -9.719 1.00 0.00 C ATOM 265 CG MET A 18 -2.448 -2.360 -10.899 1.00 0.00 C ATOM 266 SD MET A 18 -3.695 -1.419 -11.807 1.00 0.00 S ATOM 267 CE MET A 18 -3.016 -1.707 -13.459 1.00 0.00 C ATOM 0 H MET A 18 -1.551 -0.431 -7.478 1.00 0.00 H new ATOM 0 HA MET A 18 -3.981 -1.089 -9.152 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.569 -0.572 -10.064 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.070 -2.049 -9.264 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.625 -2.622 -11.564 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.878 -3.295 -10.540 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.639 -1.207 -14.201 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.002 -1.310 -13.510 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.998 -2.778 -13.663 1.00 0.00 H new ATOM 277 N ALA A 19 -2.282 -3.167 -7.254 1.00 0.00 N ATOM 278 CA ALA A 19 -2.468 -4.433 -6.484 1.00 0.00 C ATOM 279 C ALA A 19 -3.572 -4.257 -5.458 1.00 0.00 C ATOM 280 O ALA A 19 -4.149 -5.212 -4.982 1.00 0.00 O ATOM 281 CB ALA A 19 -1.147 -4.647 -5.788 1.00 0.00 C ATOM 0 H ALA A 19 -1.350 -2.757 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.747 -5.273 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.192 -5.560 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.354 -4.735 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.939 -3.800 -5.134 1.00 0.00 H new ATOM 287 N ILE A 20 -3.873 -3.036 -5.129 1.00 0.00 N ATOM 288 CA ILE A 20 -4.944 -2.769 -4.138 1.00 0.00 C ATOM 289 C ILE A 20 -6.307 -3.056 -4.762 1.00 0.00 C ATOM 290 O ILE A 20 -7.175 -3.638 -4.141 1.00 0.00 O ATOM 291 CB ILE A 20 -4.804 -1.275 -3.800 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.479 -0.431 -4.891 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.320 -0.899 -3.692 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.194 1.046 -4.665 1.00 0.00 C ATOM 0 H ILE A 20 -3.419 -2.205 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.861 -3.395 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.289 -1.079 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.114 -0.733 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.555 -0.607 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.230 0.161 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.851 -1.490 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.824 -1.100 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.678 1.633 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.581 1.346 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.118 1.218 -4.696 1.00 0.00 H new ATOM 306 N GLU A 21 -6.492 -2.656 -5.996 1.00 0.00 N ATOM 307 CA GLU A 21 -7.784 -2.903 -6.681 1.00 0.00 C ATOM 308 C GLU A 21 -8.109 -4.392 -6.594 1.00 0.00 C ATOM 309 O GLU A 21 -9.251 -4.781 -6.442 1.00 0.00 O ATOM 310 CB GLU A 21 -7.556 -2.462 -8.130 1.00 0.00 C ATOM 311 CG GLU A 21 -8.846 -2.656 -8.934 1.00 0.00 C ATOM 312 CD GLU A 21 -8.500 -2.971 -10.389 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.784 -3.934 -10.610 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.957 -2.246 -11.256 1.00 0.00 O ATOM 0 H GLU A 21 -5.794 -2.166 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.621 -2.363 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.251 -1.416 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.747 -3.042 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.435 -3.467 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.458 -1.756 -8.882 1.00 0.00 H new ATOM 321 N VAL A 22 -7.103 -5.226 -6.655 1.00 0.00 N ATOM 322 CA VAL A 22 -7.339 -6.697 -6.548 1.00 0.00 C ATOM 323 C VAL A 22 -7.734 -7.031 -5.109 1.00 0.00 C ATOM 324 O VAL A 22 -8.692 -7.740 -4.861 1.00 0.00 O ATOM 325 CB VAL A 22 -5.999 -7.342 -6.932 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.947 -8.784 -6.410 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.861 -7.342 -8.460 1.00 0.00 C ATOM 0 H VAL A 22 -6.128 -4.952 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.141 -7.057 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.181 -6.774 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.994 -9.236 -6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.048 -8.782 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.762 -9.359 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.912 -7.799 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.681 -7.911 -8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.893 -6.317 -8.828 1.00 0.00 H new ATOM 337 N VAL A 23 -7.015 -6.487 -4.165 1.00 0.00 N ATOM 338 CA VAL A 23 -7.351 -6.720 -2.735 1.00 0.00 C ATOM 339 C VAL A 23 -8.724 -6.121 -2.440 1.00 0.00 C ATOM 340 O VAL A 23 -9.477 -6.645 -1.642 1.00 0.00 O ATOM 341 CB VAL A 23 -6.249 -6.047 -1.920 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.859 -5.197 -0.820 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.400 -7.142 -1.289 1.00 0.00 C ATOM 0 H VAL A 23 -6.205 -5.888 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.403 -7.779 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.646 -5.408 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.065 -4.722 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.495 -4.430 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.456 -5.828 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.603 -6.690 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.024 -7.759 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.965 -7.762 -2.073 1.00 0.00 H new ATOM 353 N ASP A 24 -9.046 -5.028 -3.090 1.00 0.00 N ATOM 354 CA ASP A 24 -10.366 -4.386 -2.876 1.00 0.00 C ATOM 355 C ASP A 24 -11.467 -5.293 -3.400 1.00 0.00 C ATOM 356 O ASP A 24 -12.510 -5.449 -2.797 1.00 0.00 O ATOM 357 CB ASP A 24 -10.303 -3.091 -3.687 1.00 0.00 C ATOM 358 CG ASP A 24 -11.355 -2.133 -3.170 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.011 -2.492 -2.217 1.00 0.00 O ATOM 360 OD2 ASP A 24 -11.488 -1.061 -3.735 1.00 0.00 O ATOM 0 H ASP A 24 -8.442 -4.556 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.579 -4.197 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.313 -2.643 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.471 -3.300 -4.743 1.00 0.00 H new ATOM 365 N GLU A 25 -11.214 -5.890 -4.528 1.00 0.00 N ATOM 366 CA GLU A 25 -12.196 -6.816 -5.150 1.00 0.00 C ATOM 367 C GLU A 25 -12.531 -7.940 -4.172 1.00 0.00 C ATOM 368 O GLU A 25 -13.682 -8.253 -3.932 1.00 0.00 O ATOM 369 CB GLU A 25 -11.468 -7.357 -6.386 1.00 0.00 C ATOM 370 CG GLU A 25 -12.270 -7.026 -7.643 1.00 0.00 C ATOM 371 CD GLU A 25 -12.073 -8.131 -8.683 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.081 -8.837 -8.593 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.918 -8.251 -9.553 1.00 0.00 O ATOM 0 H GLU A 25 -10.349 -5.772 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.140 -6.336 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.472 -6.920 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.338 -8.436 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.327 -6.929 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.948 -6.068 -8.050 1.00 0.00 H new ATOM 380 N ALA A 26 -11.520 -8.540 -3.598 1.00 0.00 N ATOM 381 CA ALA A 26 -11.750 -9.637 -2.619 1.00 0.00 C ATOM 382 C ALA A 26 -12.172 -9.066 -1.268 1.00 0.00 C ATOM 383 O ALA A 26 -13.018 -9.616 -0.591 1.00 0.00 O ATOM 384 CB ALA A 26 -10.409 -10.355 -2.496 1.00 0.00 C ATOM 0 H ALA A 26 -10.540 -8.314 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.544 -10.310 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.501 -11.179 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.114 -10.744 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.653 -9.655 -2.141 1.00 0.00 H new ATOM 390 N LYS A 27 -11.585 -7.969 -0.857 1.00 0.00 N ATOM 391 CA LYS A 27 -11.954 -7.400 0.472 1.00 0.00 C ATOM 392 C LYS A 27 -13.328 -6.772 0.400 1.00 0.00 C ATOM 393 O LYS A 27 -13.991 -6.592 1.402 1.00 0.00 O ATOM 394 CB LYS A 27 -10.901 -6.330 0.732 1.00 0.00 C ATOM 395 CG LYS A 27 -9.614 -6.934 1.291 1.00 0.00 C ATOM 396 CD LYS A 27 -9.952 -8.096 2.205 1.00 0.00 C ATOM 397 CE LYS A 27 -10.124 -9.376 1.368 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.743 -9.791 1.004 1.00 0.00 N ATOM 0 H LYS A 27 -10.877 -7.451 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.985 -8.154 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.683 -5.800 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.294 -5.595 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.976 -7.274 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.054 -6.177 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.161 -8.235 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.868 -7.884 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.632 -10.154 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.726 -9.188 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.663 -10.826 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.535 -9.489 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.064 -9.349 1.656 1.00 0.00 H new ATOM 412 N LYS A 28 -13.786 -6.503 -0.785 1.00 0.00 N ATOM 413 CA LYS A 28 -15.152 -5.965 -0.937 1.00 0.00 C ATOM 414 C LYS A 28 -16.113 -7.099 -0.626 1.00 0.00 C ATOM 415 O LYS A 28 -17.040 -6.954 0.142 1.00 0.00 O ATOM 416 CB LYS A 28 -15.269 -5.558 -2.406 1.00 0.00 C ATOM 417 CG LYS A 28 -15.463 -4.047 -2.506 1.00 0.00 C ATOM 418 CD LYS A 28 -16.801 -3.753 -3.176 1.00 0.00 C ATOM 419 CE LYS A 28 -16.728 -4.135 -4.660 1.00 0.00 C ATOM 420 NZ LYS A 28 -17.604 -5.337 -4.807 1.00 0.00 N ATOM 0 H LYS A 28 -13.269 -6.634 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.368 -5.120 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.372 -5.856 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.109 -6.074 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.435 -3.599 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.650 -3.602 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.596 -4.313 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.046 -2.696 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.074 -3.318 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.703 -4.357 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.016 -6.195 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.265 -5.385 -4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.141 -5.269 -5.695 1.00 0.00 H new ATOM 434 N GLU A 29 -15.850 -8.248 -1.204 1.00 0.00 N ATOM 435 CA GLU A 29 -16.706 -9.447 -0.966 1.00 0.00 C ATOM 436 C GLU A 29 -16.991 -9.608 0.527 1.00 0.00 C ATOM 437 O GLU A 29 -18.078 -9.965 0.938 1.00 0.00 O ATOM 438 CB GLU A 29 -15.835 -10.609 -1.478 1.00 0.00 C ATOM 439 CG GLU A 29 -15.485 -11.582 -0.339 1.00 0.00 C ATOM 440 CD GLU A 29 -16.611 -12.606 -0.176 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.439 -12.698 -1.068 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.630 -13.278 0.842 1.00 0.00 O ATOM 0 H GLU A 29 -15.067 -8.404 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.676 -9.389 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.364 -11.143 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.919 -10.215 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.546 -12.090 -0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.342 -11.033 0.591 1.00 0.00 H new ATOM 449 N PHE A 30 -16.010 -9.310 1.325 1.00 0.00 N ATOM 450 CA PHE A 30 -16.160 -9.395 2.786 1.00 0.00 C ATOM 451 C PHE A 30 -16.564 -8.003 3.259 1.00 0.00 C ATOM 452 O PHE A 30 -17.721 -7.773 3.625 1.00 0.00 O ATOM 453 CB PHE A 30 -14.770 -9.827 3.343 1.00 0.00 C ATOM 454 CG PHE A 30 -14.228 -8.776 4.290 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.902 -8.489 5.488 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.080 -8.060 3.946 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.424 -7.485 6.334 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.598 -7.064 4.793 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.274 -6.773 5.990 1.00 0.00 C ATOM 0 H PHE A 30 -15.089 -9.004 1.010 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.911 -10.110 3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.860 -10.781 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.072 -9.977 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.789 -9.044 5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.565 -8.278 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.944 -7.260 7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.705 -6.516 4.530 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.903 -5.998 6.644 1.00 0.00 H new ATOM 469 N GLY A 31 -15.638 -7.063 3.239 1.00 0.00 N ATOM 470 CA GLY A 31 -16.010 -5.680 3.638 1.00 0.00 C ATOM 471 C GLY A 31 -16.644 -4.943 2.445 1.00 0.00 C ATOM 472 O GLY A 31 -15.932 -4.226 1.760 1.00 0.00 O ATOM 0 H GLY A 31 -14.664 -7.199 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.711 -5.709 4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.127 -5.141 3.982 1.00 0.00 H new ATOM 476 N ASP A 32 -17.917 -4.970 2.215 1.00 0.00 N ATOM 477 CA ASP A 32 -18.461 -4.139 1.064 1.00 0.00 C ATOM 478 C ASP A 32 -17.755 -2.751 1.006 1.00 0.00 C ATOM 479 O ASP A 32 -17.592 -2.160 -0.051 1.00 0.00 O ATOM 480 CB ASP A 32 -19.944 -3.993 1.418 1.00 0.00 C ATOM 481 CG ASP A 32 -20.432 -2.572 1.120 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.346 -2.161 -0.023 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.882 -1.916 2.047 1.00 0.00 O ATOM 0 H ASP A 32 -18.605 -5.507 2.743 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.299 -4.591 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.532 -4.712 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.096 -4.222 2.473 1.00 0.00 H new ATOM 488 N LYS A 33 -17.330 -2.260 2.145 1.00 0.00 N ATOM 489 CA LYS A 33 -16.586 -0.955 2.236 1.00 0.00 C ATOM 490 C LYS A 33 -15.109 -1.098 1.866 1.00 0.00 C ATOM 491 O LYS A 33 -14.522 -2.134 2.067 1.00 0.00 O ATOM 492 CB LYS A 33 -16.756 -0.462 3.657 1.00 0.00 C ATOM 493 CG LYS A 33 -18.152 0.156 3.759 1.00 0.00 C ATOM 494 CD LYS A 33 -18.743 -0.149 5.128 1.00 0.00 C ATOM 495 CE LYS A 33 -18.908 -1.667 5.295 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.785 -2.097 4.170 1.00 0.00 N ATOM 0 H LYS A 33 -17.470 -2.721 3.044 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.990 -0.240 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.647 -1.284 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.991 0.274 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.096 1.234 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.796 -0.243 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.094 0.244 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.708 0.345 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.944 -2.173 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.357 -1.910 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.534 -2.721 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.216 -1.261 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.218 -2.609 3.464 1.00 0.00 H new ATOM 510 N ILE A 34 -14.480 -0.065 1.361 1.00 0.00 N ATOM 511 CA ILE A 34 -13.034 -0.190 1.041 1.00 0.00 C ATOM 512 C ILE A 34 -12.257 0.972 1.662 1.00 0.00 C ATOM 513 O ILE A 34 -12.815 2.002 1.979 1.00 0.00 O ATOM 514 CB ILE A 34 -12.955 -0.134 -0.483 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.867 -1.218 -1.084 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.514 -0.352 -0.936 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.679 -2.548 -0.336 1.00 0.00 C ATOM 0 H ILE A 34 -14.901 0.842 1.161 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.602 -1.110 1.435 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.287 0.845 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -14.908 -0.902 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.637 -1.352 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.464 -0.311 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.878 0.426 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.169 -1.328 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.330 -3.306 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.641 -2.869 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.932 -2.413 0.716 1.00 0.00 H new ATOM 529 N ASP A 35 -10.969 0.814 1.818 1.00 0.00 N ATOM 530 CA ASP A 35 -10.136 1.897 2.403 1.00 0.00 C ATOM 531 C ASP A 35 -8.723 1.790 1.843 1.00 0.00 C ATOM 532 O ASP A 35 -7.788 1.460 2.546 1.00 0.00 O ATOM 533 CB ASP A 35 -10.140 1.645 3.921 1.00 0.00 C ATOM 534 CG ASP A 35 -10.930 2.743 4.634 1.00 0.00 C ATOM 535 OD1 ASP A 35 -11.954 3.146 4.110 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.495 3.161 5.694 1.00 0.00 O ATOM 0 H ASP A 35 -10.456 -0.030 1.561 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.513 2.893 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.581 0.672 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.117 1.620 4.296 1.00 0.00 H new ATOM 541 N VAL A 36 -8.538 2.086 0.599 1.00 0.00 N ATOM 542 CA VAL A 36 -7.177 1.968 0.044 1.00 0.00 C ATOM 543 C VAL A 36 -6.559 3.347 0.085 1.00 0.00 C ATOM 544 O VAL A 36 -7.103 4.294 -0.449 1.00 0.00 O ATOM 545 CB VAL A 36 -7.401 1.534 -1.420 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.076 1.491 -2.161 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.053 0.150 -1.495 1.00 0.00 C ATOM 0 H VAL A 36 -9.259 2.400 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.531 1.271 0.578 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.065 2.264 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.246 1.184 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.619 2.481 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.410 0.778 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.198 -0.128 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.408 -0.583 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.018 0.175 -0.989 1.00 0.00 H new ATOM 557 N GLU A 37 -5.426 3.461 0.743 1.00 0.00 N ATOM 558 CA GLU A 37 -4.778 4.787 0.885 1.00 0.00 C ATOM 559 C GLU A 37 -3.541 4.781 0.015 1.00 0.00 C ATOM 560 O GLU A 37 -2.940 3.766 -0.220 1.00 0.00 O ATOM 561 CB GLU A 37 -4.359 4.873 2.366 1.00 0.00 C ATOM 562 CG GLU A 37 -5.571 4.954 3.308 1.00 0.00 C ATOM 563 CD GLU A 37 -5.247 4.238 4.635 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.189 3.018 4.631 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.069 4.922 5.630 1.00 0.00 O ATOM 0 H GLU A 37 -4.930 2.687 1.184 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.422 5.618 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.759 4.000 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.727 5.749 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.826 5.996 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.440 4.494 2.838 1.00 0.00 H new ATOM 572 N LYS A 38 -3.213 5.922 -0.500 1.00 0.00 N ATOM 573 CA LYS A 38 -2.080 6.057 -1.486 1.00 0.00 C ATOM 574 C LYS A 38 -1.275 7.338 -1.313 1.00 0.00 C ATOM 575 O LYS A 38 -1.761 8.437 -1.521 1.00 0.00 O ATOM 576 CB LYS A 38 -2.711 6.008 -2.870 1.00 0.00 C ATOM 577 CG LYS A 38 -3.790 7.069 -2.986 1.00 0.00 C ATOM 578 CD LYS A 38 -5.136 6.466 -2.587 1.00 0.00 C ATOM 579 CE LYS A 38 -5.607 5.494 -3.669 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.594 6.287 -4.930 1.00 0.00 N ATOM 0 H LYS A 38 -3.686 6.799 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.365 5.250 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.948 6.168 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.139 5.022 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.553 7.917 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.836 7.447 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.044 5.947 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.873 7.257 -2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.946 4.630 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.605 5.114 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.328 5.928 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.782 7.287 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.663 6.201 -5.385 1.00 0.00 H new ATOM 594 N ILE A 39 -0.063 7.212 -0.868 1.00 0.00 N ATOM 595 CA ILE A 39 0.758 8.421 -0.640 1.00 0.00 C ATOM 596 C ILE A 39 1.933 8.546 -1.614 1.00 0.00 C ATOM 597 O ILE A 39 2.318 7.615 -2.285 1.00 0.00 O ATOM 598 CB ILE A 39 1.261 8.282 0.776 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.821 6.932 1.338 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.680 9.418 1.625 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.912 6.955 2.855 1.00 0.00 C ATOM 0 H ILE A 39 0.393 6.325 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 39 0.165 9.321 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 39 2.349 8.337 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.201 6.714 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.451 6.138 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.038 9.326 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.996 10.377 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.408 9.360 1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.597 5.990 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.941 7.153 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.263 7.738 3.247 1.00 0.00 H new ATOM 613 N ASP A 40 2.508 9.720 -1.670 1.00 0.00 N ATOM 614 CA ASP A 40 3.686 9.954 -2.562 1.00 0.00 C ATOM 615 C ASP A 40 5.013 9.904 -1.754 1.00 0.00 C ATOM 616 O ASP A 40 5.031 10.037 -0.545 1.00 0.00 O ATOM 617 CB ASP A 40 3.442 11.332 -3.163 1.00 0.00 C ATOM 618 CG ASP A 40 4.208 12.400 -2.395 1.00 0.00 C ATOM 619 OD1 ASP A 40 5.348 12.642 -2.746 1.00 0.00 O ATOM 620 OD2 ASP A 40 3.637 12.970 -1.493 1.00 0.00 O ATOM 0 H ASP A 40 2.210 10.534 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 40 3.786 9.189 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.751 11.338 -4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.376 11.558 -3.144 1.00 0.00 H new ATOM 625 N ILE A 41 6.126 9.713 -2.418 1.00 0.00 N ATOM 626 CA ILE A 41 7.447 9.666 -1.704 1.00 0.00 C ATOM 627 C ILE A 41 7.743 11.000 -1.008 1.00 0.00 C ATOM 628 O ILE A 41 8.577 11.067 -0.128 1.00 0.00 O ATOM 629 CB ILE A 41 8.453 9.433 -2.826 1.00 0.00 C ATOM 630 CG1 ILE A 41 8.957 8.017 -2.749 1.00 0.00 C ATOM 631 CG2 ILE A 41 9.642 10.396 -2.717 1.00 0.00 C ATOM 632 CD1 ILE A 41 9.840 7.756 -3.966 1.00 0.00 C ATOM 0 H ILE A 41 6.180 9.587 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 41 7.474 8.900 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 41 7.953 9.611 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.523 7.865 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.122 7.317 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.341 10.204 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.285 11.424 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.146 10.245 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.216 6.734 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.256 7.896 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.679 8.452 -3.963 1.00 0.00 H new ATOM 644 N MET A 42 7.088 12.062 -1.395 1.00 0.00 N ATOM 645 CA MET A 42 7.363 13.373 -0.732 1.00 0.00 C ATOM 646 C MET A 42 6.427 13.607 0.469 1.00 0.00 C ATOM 647 O MET A 42 6.667 14.477 1.285 1.00 0.00 O ATOM 648 CB MET A 42 7.093 14.410 -1.829 1.00 0.00 C ATOM 649 CG MET A 42 5.723 15.079 -1.612 1.00 0.00 C ATOM 650 SD MET A 42 5.946 16.624 -0.695 1.00 0.00 S ATOM 651 CE MET A 42 5.416 17.737 -2.013 1.00 0.00 C ATOM 0 H MET A 42 6.383 12.081 -2.132 1.00 0.00 H new ATOM 0 HA MET A 42 8.377 13.424 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.878 15.166 -1.825 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.119 13.929 -2.807 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.247 15.279 -2.572 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.062 14.409 -1.062 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.473 18.768 -1.664 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.066 17.611 -2.879 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.388 17.505 -2.294 1.00 0.00 H new ATOM 661 N VAL A 43 5.368 12.849 0.581 1.00 0.00 N ATOM 662 CA VAL A 43 4.412 13.049 1.717 1.00 0.00 C ATOM 663 C VAL A 43 4.429 11.847 2.650 1.00 0.00 C ATOM 664 O VAL A 43 4.215 11.976 3.843 1.00 0.00 O ATOM 665 CB VAL A 43 3.031 13.192 1.050 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.584 11.835 0.502 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.006 13.679 2.078 1.00 0.00 C ATOM 0 H VAL A 43 5.121 12.099 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 43 4.671 13.918 2.322 1.00 0.00 H new ATOM 0 HB VAL A 43 3.102 13.914 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.607 11.937 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.307 11.484 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.519 11.116 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.031 13.778 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.939 12.959 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.317 14.646 2.472 1.00 0.00 H new ATOM 677 N ASP A 44 4.675 10.680 2.127 1.00 0.00 N ATOM 678 CA ASP A 44 4.702 9.487 2.995 1.00 0.00 C ATOM 679 C ASP A 44 6.116 8.930 3.074 1.00 0.00 C ATOM 680 O ASP A 44 6.304 7.728 3.098 1.00 0.00 O ATOM 681 CB ASP A 44 3.772 8.478 2.321 1.00 0.00 C ATOM 682 CG ASP A 44 3.807 7.129 3.059 1.00 0.00 C ATOM 683 OD1 ASP A 44 4.399 7.069 4.123 1.00 0.00 O ATOM 684 OD2 ASP A 44 3.235 6.180 2.550 1.00 0.00 O ATOM 0 H ASP A 44 4.857 10.507 1.138 1.00 0.00 H new ATOM 0 HA ASP A 44 4.387 9.714 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.753 8.866 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.071 8.338 1.282 1.00 0.00 H new ATOM 689 N ARG A 45 7.133 9.751 3.117 1.00 0.00 N ATOM 690 CA ARG A 45 8.507 9.158 3.183 1.00 0.00 C ATOM 691 C ARG A 45 8.664 8.407 4.504 1.00 0.00 C ATOM 692 O ARG A 45 9.630 7.700 4.730 1.00 0.00 O ATOM 693 CB ARG A 45 9.394 10.382 3.227 1.00 0.00 C ATOM 694 CG ARG A 45 10.834 9.968 3.531 1.00 0.00 C ATOM 695 CD ARG A 45 11.185 10.300 4.997 1.00 0.00 C ATOM 696 NE ARG A 45 12.518 9.665 5.222 1.00 0.00 N ATOM 697 CZ ARG A 45 13.577 10.132 4.612 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.775 9.863 3.348 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.436 10.865 5.268 1.00 0.00 N ATOM 0 H ARG A 45 7.081 10.770 3.110 1.00 0.00 H new ATOM 0 HA ARG A 45 8.726 8.471 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.351 10.908 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.036 11.074 3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.959 8.900 3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.519 10.486 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.227 11.377 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.437 9.903 5.683 1.00 0.00 H new ATOM 0 HE ARG A 45 12.603 8.867 5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.104 9.289 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.601 10.227 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.281 11.073 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.262 11.230 4.794 1.00 0.00 H new ATOM 713 N GLU A 46 7.647 8.481 5.322 1.00 0.00 N ATOM 714 CA GLU A 46 7.626 7.717 6.584 1.00 0.00 C ATOM 715 C GLU A 46 7.726 6.222 6.246 1.00 0.00 C ATOM 716 O GLU A 46 8.068 5.425 7.083 1.00 0.00 O ATOM 717 CB GLU A 46 6.310 8.076 7.293 1.00 0.00 C ATOM 718 CG GLU A 46 6.459 9.480 7.889 1.00 0.00 C ATOM 719 CD GLU A 46 6.265 9.432 9.409 1.00 0.00 C ATOM 720 OE1 GLU A 46 7.006 8.716 10.064 1.00 0.00 O ATOM 721 OE2 GLU A 46 5.375 10.113 9.892 1.00 0.00 O ATOM 0 H GLU A 46 6.819 9.053 5.157 1.00 0.00 H new ATOM 0 HA GLU A 46 8.460 7.955 7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.478 8.047 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.090 7.351 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.445 9.881 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.727 10.152 7.442 1.00 0.00 H new ATOM 728 N LYS A 47 7.402 5.818 5.040 1.00 0.00 N ATOM 729 CA LYS A 47 7.469 4.363 4.710 1.00 0.00 C ATOM 730 C LYS A 47 8.766 3.788 5.259 1.00 0.00 C ATOM 731 O LYS A 47 8.789 2.933 6.146 1.00 0.00 O ATOM 732 CB LYS A 47 7.450 4.313 3.174 1.00 0.00 C ATOM 733 CG LYS A 47 8.541 3.372 2.672 1.00 0.00 C ATOM 734 CD LYS A 47 8.291 1.958 3.207 1.00 0.00 C ATOM 735 CE LYS A 47 9.589 1.184 3.179 1.00 0.00 C ATOM 736 NZ LYS A 47 9.468 0.175 4.270 1.00 0.00 N ATOM 0 H LYS A 47 7.098 6.426 4.280 1.00 0.00 H new ATOM 0 HA LYS A 47 6.652 3.784 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.475 3.973 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.604 5.312 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.553 3.362 1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.519 3.727 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.902 2.004 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.539 1.454 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.739 0.703 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.443 1.841 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.932 -0.709 3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.925 0.538 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.463 -0.009 4.463 1.00 0.00 H new ATOM 750 N ALA A 48 9.834 4.298 4.726 1.00 0.00 N ATOM 751 CA ALA A 48 11.181 3.871 5.154 1.00 0.00 C ATOM 752 C ALA A 48 11.377 4.091 6.656 1.00 0.00 C ATOM 753 O ALA A 48 12.334 3.599 7.214 1.00 0.00 O ATOM 754 CB ALA A 48 12.210 4.584 4.291 1.00 0.00 C ATOM 0 H ALA A 48 9.826 5.009 3.995 1.00 0.00 H new ATOM 0 HA ALA A 48 11.309 2.799 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.212 4.280 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.052 4.322 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.105 5.662 4.415 1.00 0.00 H new ATOM 760 N ILE A 49 10.507 4.794 7.336 1.00 0.00 N ATOM 761 CA ILE A 49 10.731 4.965 8.796 1.00 0.00 C ATOM 762 C ILE A 49 11.594 3.805 9.277 1.00 0.00 C ATOM 763 O ILE A 49 12.508 3.952 10.069 1.00 0.00 O ATOM 764 CB ILE A 49 9.351 4.950 9.497 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.514 3.745 9.028 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.613 6.252 9.178 1.00 0.00 C ATOM 767 CD1 ILE A 49 8.984 2.466 9.734 1.00 0.00 C ATOM 0 H ILE A 49 9.675 5.244 6.954 1.00 0.00 H new ATOM 0 HA ILE A 49 11.235 5.904 9.022 1.00 0.00 H new ATOM 0 HB ILE A 49 9.500 4.863 10.573 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.460 3.920 9.241 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.605 3.628 7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.640 6.248 9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.197 7.099 9.538 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.475 6.338 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.385 1.621 9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.033 2.285 9.499 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.869 2.582 10.812 1.00 0.00 H new ATOM 779 N GLU A 50 11.316 2.649 8.728 1.00 0.00 N ATOM 780 CA GLU A 50 12.092 1.425 9.043 1.00 0.00 C ATOM 781 C GLU A 50 13.576 1.688 8.748 1.00 0.00 C ATOM 782 O GLU A 50 14.431 1.482 9.581 1.00 0.00 O ATOM 783 CB GLU A 50 11.513 0.352 8.106 1.00 0.00 C ATOM 784 CG GLU A 50 10.591 -0.580 8.895 1.00 0.00 C ATOM 785 CD GLU A 50 10.900 -2.033 8.534 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.067 -2.348 8.371 1.00 0.00 O ATOM 787 OE2 GLU A 50 9.963 -2.806 8.425 1.00 0.00 O ATOM 0 H GLU A 50 10.561 2.506 8.057 1.00 0.00 H new ATOM 0 HA GLU A 50 12.023 1.118 10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.960 0.825 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.321 -0.221 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.728 -0.423 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.549 -0.353 8.671 1.00 0.00 H new ATOM 794 N TYR A 51 13.874 2.169 7.567 1.00 0.00 N ATOM 795 CA TYR A 51 15.291 2.491 7.190 1.00 0.00 C ATOM 796 C TYR A 51 15.405 3.964 6.774 1.00 0.00 C ATOM 797 O TYR A 51 16.429 4.579 6.971 1.00 0.00 O ATOM 798 CB TYR A 51 15.645 1.563 6.011 1.00 0.00 C ATOM 799 CG TYR A 51 14.595 1.632 4.918 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.310 1.143 5.149 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.912 2.184 3.668 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.349 1.211 4.147 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.942 2.245 2.663 1.00 0.00 C ATOM 804 CZ TYR A 51 12.663 1.763 2.897 1.00 0.00 C ATOM 805 OH TYR A 51 11.704 1.844 1.900 1.00 0.00 O ATOM 0 H TYR A 51 13.188 2.356 6.836 1.00 0.00 H new ATOM 0 HA TYR A 51 15.973 2.338 8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.616 1.844 5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.734 0.537 6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.061 0.711 6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.906 2.562 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.353 0.836 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.190 2.669 1.701 1.00 0.00 H new ATOM 0 HH TYR A 51 12.140 2.025 1.041 1.00 0.00 H new ATOM 815 N GLY A 52 14.363 4.527 6.210 1.00 0.00 N ATOM 816 CA GLY A 52 14.375 5.981 5.768 1.00 0.00 C ATOM 817 C GLY A 52 15.674 6.340 5.019 1.00 0.00 C ATOM 818 O GLY A 52 15.890 7.472 4.614 1.00 0.00 O ATOM 0 H GLY A 52 13.484 4.041 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.518 6.172 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.267 6.627 6.639 1.00 0.00 H new ATOM 822 N LEU A 53 16.489 5.346 4.801 1.00 0.00 N ATOM 823 CA LEU A 53 17.736 5.503 4.007 1.00 0.00 C ATOM 824 C LEU A 53 17.338 5.577 2.539 1.00 0.00 C ATOM 825 O LEU A 53 17.249 6.658 1.952 1.00 0.00 O ATOM 826 CB LEU A 53 18.676 4.329 4.365 1.00 0.00 C ATOM 827 CG LEU A 53 19.055 4.491 5.850 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.293 3.124 6.459 1.00 0.00 C ATOM 829 CD2 LEU A 53 20.323 5.356 5.996 1.00 0.00 C ATOM 0 H LEU A 53 16.335 4.401 5.153 1.00 0.00 H new ATOM 0 HA LEU A 53 18.287 6.417 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.181 3.373 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.566 4.342 3.736 1.00 0.00 H new ATOM 0 HG LEU A 53 18.237 4.989 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.561 3.235 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.385 2.526 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.104 2.625 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.574 5.458 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 53 21.151 4.880 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 53 20.142 6.342 5.569 1.00 0.00 H new ATOM 841 N MET A 54 17.085 4.422 1.982 1.00 0.00 N ATOM 842 CA MET A 54 16.664 4.315 0.572 1.00 0.00 C ATOM 843 C MET A 54 15.132 4.282 0.528 1.00 0.00 C ATOM 844 O MET A 54 14.537 3.279 0.163 1.00 0.00 O ATOM 845 CB MET A 54 17.236 2.961 0.132 1.00 0.00 C ATOM 846 CG MET A 54 18.752 3.089 0.012 1.00 0.00 C ATOM 847 SD MET A 54 19.293 2.420 -1.577 1.00 0.00 S ATOM 848 CE MET A 54 18.581 0.769 -1.375 1.00 0.00 C ATOM 0 H MET A 54 17.158 3.528 2.468 1.00 0.00 H new ATOM 0 HA MET A 54 17.001 5.136 -0.060 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.978 2.188 0.856 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.805 2.660 -0.823 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.047 4.135 0.097 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.238 2.554 0.828 1.00 0.00 H new ATOM 0 HE1 MET A 54 19.215 0.036 -1.873 1.00 0.00 H new ATOM 0 HE2 MET A 54 18.514 0.529 -0.314 1.00 0.00 H new ATOM 0 HE3 MET A 54 17.584 0.746 -1.816 1.00 0.00 H new ATOM 858 N ALA A 55 14.466 5.348 0.903 1.00 0.00 N ATOM 859 CA ALA A 55 12.982 5.285 0.919 1.00 0.00 C ATOM 860 C ALA A 55 12.427 6.108 -0.204 1.00 0.00 C ATOM 861 O ALA A 55 12.466 7.327 -0.180 1.00 0.00 O ATOM 862 CB ALA A 55 12.619 5.987 2.222 1.00 0.00 C ATOM 0 H ALA A 55 14.878 6.235 1.191 1.00 0.00 H new ATOM 0 HA ALA A 55 12.604 4.267 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.535 5.999 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.069 5.454 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.993 7.011 2.200 1.00 0.00 H new ATOM 868 N VAL A 56 11.903 5.416 -1.182 1.00 0.00 N ATOM 869 CA VAL A 56 11.329 6.086 -2.376 1.00 0.00 C ATOM 870 C VAL A 56 10.142 5.285 -2.954 1.00 0.00 C ATOM 871 O VAL A 56 9.024 5.755 -2.914 1.00 0.00 O ATOM 872 CB VAL A 56 12.475 6.183 -3.400 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.906 6.230 -4.839 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.272 7.458 -3.135 1.00 0.00 C ATOM 0 H VAL A 56 11.850 4.398 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 56 10.936 7.070 -2.121 1.00 0.00 H new ATOM 0 HB VAL A 56 13.118 5.308 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.727 6.299 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.331 5.324 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.259 7.100 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.086 7.535 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.617 8.324 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.683 7.427 -2.126 1.00 0.00 H new ATOM 884 N PRO A 57 10.378 4.105 -3.451 1.00 0.00 N ATOM 885 CA PRO A 57 9.242 3.334 -3.960 1.00 0.00 C ATOM 886 C PRO A 57 8.916 2.233 -2.984 1.00 0.00 C ATOM 887 O PRO A 57 9.637 1.258 -2.825 1.00 0.00 O ATOM 888 CB PRO A 57 9.858 2.643 -5.160 1.00 0.00 C ATOM 889 CG PRO A 57 11.339 2.519 -4.856 1.00 0.00 C ATOM 890 CD PRO A 57 11.675 3.474 -3.745 1.00 0.00 C ATOM 0 HA PRO A 57 8.355 3.940 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.409 1.663 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.693 3.220 -6.070 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.582 1.497 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.929 2.747 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.079 2.956 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.420 4.207 -4.054 1.00 0.00 H new ATOM 898 N ALA A 58 7.825 2.472 -2.298 1.00 0.00 N ATOM 899 CA ALA A 58 7.342 1.580 -1.224 1.00 0.00 C ATOM 900 C ALA A 58 5.863 1.810 -0.922 1.00 0.00 C ATOM 901 O ALA A 58 5.207 2.657 -1.488 1.00 0.00 O ATOM 902 CB ALA A 58 8.165 1.967 -0.004 1.00 0.00 C ATOM 0 H ALA A 58 7.232 3.287 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 58 7.447 0.533 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.870 1.350 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.223 1.812 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.993 3.017 0.233 1.00 0.00 H new ATOM 908 N ILE A 59 5.345 1.039 -0.022 1.00 0.00 N ATOM 909 CA ILE A 59 3.914 1.159 0.335 1.00 0.00 C ATOM 910 C ILE A 59 3.741 0.847 1.796 1.00 0.00 C ATOM 911 O ILE A 59 4.522 0.083 2.348 1.00 0.00 O ATOM 912 CB ILE A 59 3.260 0.080 -0.528 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.111 0.611 -1.969 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.888 -0.284 0.053 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.977 -0.203 -2.931 1.00 0.00 C ATOM 0 H ILE A 59 5.858 0.321 0.489 1.00 0.00 H new ATOM 0 HA ILE A 59 3.491 2.150 0.170 1.00 0.00 H new ATOM 0 HB ILE A 59 3.881 -0.816 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.067 0.558 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.402 1.661 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.424 -1.053 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.011 -0.659 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.253 0.601 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.860 0.185 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.022 -0.127 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.667 -1.248 -2.905 1.00 0.00 H new ATOM 927 N ALA A 60 2.729 1.348 2.451 1.00 0.00 N ATOM 928 CA ALA A 60 2.649 0.984 3.878 1.00 0.00 C ATOM 929 C ALA A 60 1.888 -0.284 3.858 1.00 0.00 C ATOM 930 O ALA A 60 1.190 -0.556 2.898 1.00 0.00 O ATOM 931 CB ALA A 60 1.803 2.133 4.493 1.00 0.00 C ATOM 0 H ALA A 60 1.998 1.957 2.082 1.00 0.00 H new ATOM 0 HA ALA A 60 3.585 0.864 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.680 1.962 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.311 3.084 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.824 2.160 4.015 1.00 0.00 H new ATOM 937 N ILE A 61 2.041 -1.107 4.840 1.00 0.00 N ATOM 938 CA ILE A 61 1.372 -2.377 4.738 1.00 0.00 C ATOM 939 C ILE A 61 0.223 -2.241 5.648 1.00 0.00 C ATOM 940 O ILE A 61 0.334 -2.475 6.850 1.00 0.00 O ATOM 941 CB ILE A 61 2.402 -3.377 5.339 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.871 -2.981 5.035 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.178 -4.826 4.934 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.849 -4.136 5.368 1.00 0.00 C ATOM 0 H ILE A 61 2.591 -0.946 5.684 1.00 0.00 H new ATOM 0 HA ILE A 61 1.052 -2.685 3.743 1.00 0.00 H new ATOM 0 HB ILE A 61 2.228 -3.308 6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.967 -2.713 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.138 -2.097 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.939 -5.455 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.191 -5.148 5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.243 -4.915 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.869 -3.825 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.770 -4.386 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.596 -5.011 4.769 1.00 0.00 H new ATOM 956 N ASN A 62 -0.849 -1.813 5.041 1.00 0.00 N ATOM 957 CA ASN A 62 -2.110 -1.578 5.752 1.00 0.00 C ATOM 958 C ASN A 62 -2.437 -2.852 6.454 1.00 0.00 C ATOM 959 O ASN A 62 -3.106 -3.721 5.943 1.00 0.00 O ATOM 960 CB ASN A 62 -3.115 -1.224 4.655 1.00 0.00 C ATOM 961 CG ASN A 62 -3.582 0.244 4.801 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.695 0.584 4.474 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.778 1.142 5.275 1.00 0.00 N ATOM 0 H ASN A 62 -0.890 -1.613 4.042 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.093 -0.781 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.660 -1.371 3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.974 -1.892 4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.090 2.109 5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.833 0.882 5.559 1.00 0.00 H new ATOM 970 N GLY A 63 -1.891 -2.975 7.619 1.00 0.00 N ATOM 971 CA GLY A 63 -2.061 -4.193 8.424 1.00 0.00 C ATOM 972 C GLY A 63 -0.979 -4.206 9.473 1.00 0.00 C ATOM 973 O GLY A 63 -1.218 -4.483 10.629 1.00 0.00 O ATOM 0 H GLY A 63 -1.316 -2.256 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.046 -4.208 8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.993 -5.080 7.794 1.00 0.00 H new ATOM 977 N VAL A 64 0.222 -3.903 9.061 1.00 0.00 N ATOM 978 CA VAL A 64 1.362 -3.893 10.014 1.00 0.00 C ATOM 979 C VAL A 64 2.105 -2.549 9.953 1.00 0.00 C ATOM 980 O VAL A 64 2.168 -1.852 10.944 1.00 0.00 O ATOM 981 CB VAL A 64 2.254 -5.083 9.591 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.395 -6.354 9.507 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.880 -4.822 8.219 1.00 0.00 C ATOM 0 H VAL A 64 0.461 -3.661 8.099 1.00 0.00 H new ATOM 0 HA VAL A 64 1.044 -4.000 11.051 1.00 0.00 H new ATOM 0 HB VAL A 64 3.046 -5.206 10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.020 -7.196 9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.951 -6.558 10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.604 -6.211 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.505 -5.670 7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.091 -4.690 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.491 -3.920 8.263 1.00 0.00 H new ATOM 993 N VAL A 65 2.663 -2.167 8.817 1.00 0.00 N ATOM 994 CA VAL A 65 3.410 -0.858 8.759 1.00 0.00 C ATOM 995 C VAL A 65 3.657 -0.388 7.315 1.00 0.00 C ATOM 996 O VAL A 65 2.797 0.207 6.702 1.00 0.00 O ATOM 997 CB VAL A 65 4.760 -1.136 9.445 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.690 0.074 9.273 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.549 -1.394 10.935 1.00 0.00 C ATOM 0 H VAL A 65 2.635 -2.694 7.944 1.00 0.00 H new ATOM 0 HA VAL A 65 2.834 -0.069 9.242 1.00 0.00 H new ATOM 0 HB VAL A 65 5.210 -2.015 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.644 -0.128 9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.856 0.257 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.231 0.953 9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.510 -1.589 11.410 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.089 -0.519 11.394 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.897 -2.258 11.066 1.00 0.00 H new ATOM 1009 N ARG A 66 4.852 -0.625 6.788 1.00 0.00 N ATOM 1010 CA ARG A 66 5.205 -0.159 5.409 1.00 0.00 C ATOM 1011 C ARG A 66 6.470 -0.879 4.949 1.00 0.00 C ATOM 1012 O ARG A 66 7.205 -1.419 5.747 1.00 0.00 O ATOM 1013 CB ARG A 66 5.474 1.352 5.543 1.00 0.00 C ATOM 1014 CG ARG A 66 5.338 2.037 4.173 1.00 0.00 C ATOM 1015 CD ARG A 66 4.484 3.315 4.270 1.00 0.00 C ATOM 1016 NE ARG A 66 4.267 3.555 5.729 1.00 0.00 N ATOM 1017 CZ ARG A 66 4.951 4.467 6.344 1.00 0.00 C ATOM 1018 NH1 ARG A 66 4.609 5.714 6.229 1.00 0.00 N ATOM 1019 NH2 ARG A 66 5.988 4.131 7.063 1.00 0.00 N ATOM 0 H ARG A 66 5.598 -1.128 7.268 1.00 0.00 H new ATOM 0 HA ARG A 66 4.417 -0.362 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.771 1.793 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.474 1.517 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.327 2.286 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.884 1.347 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.993 4.160 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.534 3.190 3.750 1.00 0.00 H new ATOM 0 HE ARG A 66 3.580 3.001 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.805 5.972 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.144 6.436 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.259 3.151 7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.527 4.849 7.547 1.00 0.00 H new ATOM 1033 N PHE A 67 6.690 -0.957 3.657 1.00 0.00 N ATOM 1034 CA PHE A 67 7.877 -1.716 3.146 1.00 0.00 C ATOM 1035 C PHE A 67 8.446 -1.086 1.871 1.00 0.00 C ATOM 1036 O PHE A 67 7.905 -0.145 1.327 1.00 0.00 O ATOM 1037 CB PHE A 67 7.333 -3.104 2.802 1.00 0.00 C ATOM 1038 CG PHE A 67 6.971 -3.156 1.329 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.513 -2.005 0.655 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.117 -4.350 0.627 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.204 -2.061 -0.707 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.805 -4.400 -0.738 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.349 -3.262 -1.403 1.00 0.00 C ATOM 0 H PHE A 67 6.104 -0.531 2.939 1.00 0.00 H new ATOM 0 HA PHE A 67 8.678 -1.727 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.079 -3.865 3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.456 -3.323 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.400 -1.076 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.470 -5.236 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.854 -1.177 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.919 -5.327 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.108 -3.310 -2.455 1.00 0.00 H new ATOM 1053 N VAL A 68 9.532 -1.628 1.386 1.00 0.00 N ATOM 1054 CA VAL A 68 10.135 -1.121 0.118 1.00 0.00 C ATOM 1055 C VAL A 68 9.459 -1.783 -1.100 1.00 0.00 C ATOM 1056 O VAL A 68 9.475 -2.989 -1.234 1.00 0.00 O ATOM 1057 CB VAL A 68 11.623 -1.456 0.213 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.379 -0.690 -0.880 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.122 -1.015 1.593 1.00 0.00 C ATOM 0 H VAL A 68 10.031 -2.406 1.817 1.00 0.00 H new ATOM 0 HA VAL A 68 9.992 -0.049 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 68 11.788 -2.525 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.442 -0.924 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.999 -0.983 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.234 0.381 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.184 -1.244 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.970 0.058 1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.567 -1.545 2.367 1.00 0.00 H new ATOM 1069 N GLY A 69 8.875 -1.035 -2.001 1.00 0.00 N ATOM 1070 CA GLY A 69 8.251 -1.698 -3.191 1.00 0.00 C ATOM 1071 C GLY A 69 8.012 -0.689 -4.305 1.00 0.00 C ATOM 1072 O GLY A 69 7.146 0.156 -4.207 1.00 0.00 O ATOM 0 H GLY A 69 8.802 -0.018 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.900 -2.497 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.307 -2.160 -2.903 1.00 0.00 H new ATOM 1076 N ALA A 70 8.752 -0.784 -5.378 1.00 0.00 N ATOM 1077 CA ALA A 70 8.533 0.162 -6.513 1.00 0.00 C ATOM 1078 C ALA A 70 7.512 -0.452 -7.470 1.00 0.00 C ATOM 1079 O ALA A 70 6.344 -0.128 -7.393 1.00 0.00 O ATOM 1080 CB ALA A 70 9.900 0.352 -7.180 1.00 0.00 C ATOM 0 H ALA A 70 9.494 -1.470 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 70 8.141 1.127 -6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.802 1.038 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.604 0.764 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.268 -0.610 -7.537 1.00 0.00 H new ATOM 1086 N PRO A 71 7.953 -1.359 -8.307 1.00 0.00 N ATOM 1087 CA PRO A 71 7.002 -2.033 -9.218 1.00 0.00 C ATOM 1088 C PRO A 71 6.341 -3.202 -8.475 1.00 0.00 C ATOM 1089 O PRO A 71 5.778 -4.092 -9.084 1.00 0.00 O ATOM 1090 CB PRO A 71 7.916 -2.596 -10.303 1.00 0.00 C ATOM 1091 CG PRO A 71 9.252 -2.786 -9.641 1.00 0.00 C ATOM 1092 CD PRO A 71 9.339 -1.811 -8.513 1.00 0.00 C ATOM 0 HA PRO A 71 6.216 -1.379 -9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.532 -3.540 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.990 -1.912 -11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.356 -3.807 -9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.060 -2.620 -10.354 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.741 -2.279 -7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.996 -0.977 -8.759 1.00 0.00 H new ATOM 1100 N SER A 72 6.403 -3.196 -7.160 1.00 0.00 N ATOM 1101 CA SER A 72 5.787 -4.299 -6.369 1.00 0.00 C ATOM 1102 C SER A 72 4.461 -3.840 -5.770 1.00 0.00 C ATOM 1103 O SER A 72 4.290 -3.791 -4.569 1.00 0.00 O ATOM 1104 CB SER A 72 6.790 -4.617 -5.262 1.00 0.00 C ATOM 1105 OG SER A 72 7.607 -5.706 -5.670 1.00 0.00 O ATOM 0 H SER A 72 6.856 -2.470 -6.606 1.00 0.00 H new ATOM 0 HA SER A 72 5.576 -5.173 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.407 -3.743 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.265 -4.866 -4.340 1.00 0.00 H new ATOM 0 HG SER A 72 8.254 -5.913 -4.963 1.00 0.00 H new ATOM 1111 N ARG A 73 3.512 -3.530 -6.600 1.00 0.00 N ATOM 1112 CA ARG A 73 2.181 -3.105 -6.077 1.00 0.00 C ATOM 1113 C ARG A 73 1.483 -4.321 -5.460 1.00 0.00 C ATOM 1114 O ARG A 73 0.893 -4.230 -4.404 1.00 0.00 O ATOM 1115 CB ARG A 73 1.400 -2.579 -7.286 1.00 0.00 C ATOM 1116 CG ARG A 73 1.513 -3.562 -8.462 1.00 0.00 C ATOM 1117 CD ARG A 73 0.187 -4.287 -8.669 1.00 0.00 C ATOM 1118 NE ARG A 73 -0.270 -3.865 -10.009 1.00 0.00 N ATOM 1119 CZ ARG A 73 -1.029 -4.647 -10.722 1.00 0.00 C ATOM 1120 NH1 ARG A 73 -1.916 -5.417 -10.142 1.00 0.00 N ATOM 1121 NH2 ARG A 73 -0.930 -4.623 -12.020 1.00 0.00 N ATOM 0 H ARG A 73 3.595 -3.551 -7.616 1.00 0.00 H new ATOM 0 HA ARG A 73 2.257 -2.337 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.352 -2.440 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.786 -1.603 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.788 -3.025 -9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.305 -4.285 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.315 -5.368 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.537 -4.015 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 73 0.010 -2.956 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.015 -5.406 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.508 -6.027 -10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.263 -3.996 -12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.520 -5.231 -12.588 1.00 0.00 H new ATOM 1135 N GLU A 74 1.564 -5.469 -6.117 1.00 0.00 N ATOM 1136 CA GLU A 74 0.914 -6.715 -5.589 1.00 0.00 C ATOM 1137 C GLU A 74 1.180 -6.844 -4.100 1.00 0.00 C ATOM 1138 O GLU A 74 0.333 -7.274 -3.342 1.00 0.00 O ATOM 1139 CB GLU A 74 1.537 -7.873 -6.364 1.00 0.00 C ATOM 1140 CG GLU A 74 0.414 -8.717 -6.979 1.00 0.00 C ATOM 1141 CD GLU A 74 0.965 -9.497 -8.169 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.949 -8.958 -9.263 1.00 0.00 O ATOM 1143 OE2 GLU A 74 1.398 -10.618 -7.965 1.00 0.00 O ATOM 0 H GLU A 74 2.057 -5.589 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.168 -6.700 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.195 -7.493 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.149 -8.485 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.010 -9.403 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.406 -8.074 -7.299 1.00 0.00 H new ATOM 1150 N GLU A 75 2.355 -6.466 -3.680 1.00 0.00 N ATOM 1151 CA GLU A 75 2.690 -6.547 -2.232 1.00 0.00 C ATOM 1152 C GLU A 75 1.560 -5.939 -1.402 1.00 0.00 C ATOM 1153 O GLU A 75 1.204 -6.440 -0.355 1.00 0.00 O ATOM 1154 CB GLU A 75 3.969 -5.724 -2.083 1.00 0.00 C ATOM 1155 CG GLU A 75 5.123 -6.656 -1.724 1.00 0.00 C ATOM 1156 CD GLU A 75 5.397 -6.580 -0.217 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.660 -5.891 0.473 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.354 -7.198 0.219 1.00 0.00 O ATOM 0 H GLU A 75 3.098 -6.104 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 75 2.822 -7.573 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.187 -5.196 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.841 -4.968 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.879 -7.680 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.017 -6.375 -2.281 1.00 0.00 H new ATOM 1165 N LEU A 76 0.972 -4.881 -1.887 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.165 -4.250 -1.165 1.00 0.00 C ATOM 1167 C LEU A 76 -1.336 -5.219 -1.142 1.00 0.00 C ATOM 1168 O LEU A 76 -2.009 -5.374 -0.146 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.520 -3.015 -1.991 1.00 0.00 C ATOM 1170 CG LEU A 76 0.432 -1.891 -1.640 1.00 0.00 C ATOM 1171 CD1 LEU A 76 1.881 -2.353 -1.852 1.00 0.00 C ATOM 1172 CD2 LEU A 76 0.141 -0.678 -2.524 1.00 0.00 C ATOM 0 H LEU A 76 1.234 -4.424 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 76 0.078 -3.992 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.456 -3.243 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.548 -2.713 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 76 0.295 -1.616 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.563 -1.541 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.086 -3.212 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.024 -2.634 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.827 0.130 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.273 -0.951 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.885 -0.347 -2.362 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.576 -5.883 -2.241 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.707 -6.851 -2.294 1.00 0.00 C ATOM 1186 C PHE A 77 -2.525 -7.932 -1.204 1.00 0.00 C ATOM 1187 O PHE A 77 -3.467 -8.402 -0.591 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.646 -7.462 -3.706 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.787 -8.964 -3.622 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -4.058 -9.542 -3.483 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.647 -9.779 -3.662 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -4.188 -10.932 -3.386 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -1.777 -11.170 -3.563 1.00 0.00 C ATOM 1194 CZ PHE A 77 -3.048 -11.748 -3.425 1.00 0.00 C ATOM 0 H PHE A 77 -1.038 -5.796 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.673 -6.381 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.441 -7.047 -4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.701 -7.203 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.936 -8.914 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.669 -9.334 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.167 -11.377 -3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.899 -11.798 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.148 -12.821 -3.349 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.307 -8.321 -0.969 1.00 0.00 N ATOM 1205 CA GLU A 78 -1.031 -9.346 0.070 1.00 0.00 C ATOM 1206 C GLU A 78 -1.064 -8.714 1.462 1.00 0.00 C ATOM 1207 O GLU A 78 -1.411 -9.361 2.433 1.00 0.00 O ATOM 1208 CB GLU A 78 0.347 -9.924 -0.272 1.00 0.00 C ATOM 1209 CG GLU A 78 0.594 -11.173 0.582 1.00 0.00 C ATOM 1210 CD GLU A 78 -0.050 -12.396 -0.086 1.00 0.00 C ATOM 1211 OE1 GLU A 78 -1.259 -12.538 0.014 1.00 0.00 O ATOM 1212 OE2 GLU A 78 0.678 -13.169 -0.684 1.00 0.00 O ATOM 0 H GLU A 78 -0.483 -7.969 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.783 -10.135 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.396 -10.177 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.123 -9.182 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.665 -11.336 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.178 -11.031 1.579 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.699 -7.467 1.569 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.702 -6.805 2.904 1.00 0.00 C ATOM 1221 C ALA A 79 -2.126 -6.580 3.404 1.00 0.00 C ATOM 1222 O ALA A 79 -2.407 -6.732 4.576 1.00 0.00 O ATOM 1223 CB ALA A 79 0.013 -5.469 2.672 1.00 0.00 C ATOM 0 H ALA A 79 -0.399 -6.878 0.792 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.211 -7.412 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.056 -4.912 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.025 -5.656 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.534 -4.888 1.929 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.028 -6.235 2.527 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.454 -6.004 2.953 1.00 0.00 C ATOM 1231 C ILE A 80 -5.051 -7.319 3.435 1.00 0.00 C ATOM 1232 O ILE A 80 -5.700 -7.389 4.460 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.164 -5.484 1.715 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -4.661 -4.065 1.387 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.672 -5.444 1.989 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.270 -3.809 1.992 1.00 0.00 C ATOM 0 H ILE A 80 -2.848 -6.101 1.532 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.546 -5.294 3.775 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.958 -6.139 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.619 -3.933 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.368 -3.329 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.192 -5.072 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.026 -6.448 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.871 -4.783 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.945 -2.799 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.319 -3.916 3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.559 -4.530 1.588 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.763 -8.366 2.708 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.206 -9.704 3.104 1.00 0.00 C ATOM 1250 C ASN A 81 -4.429 -10.157 4.327 1.00 0.00 C ATOM 1251 O ASN A 81 -4.883 -11.042 5.014 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.991 -10.670 1.943 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.417 -11.982 2.483 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -5.105 -12.750 3.135 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.174 -12.261 2.248 1.00 0.00 N ATOM 0 H ASN A 81 -4.227 -8.333 1.841 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.267 -9.684 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.934 -10.856 1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.310 -10.234 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.768 -13.125 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.601 -11.617 1.703 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.267 -9.611 4.630 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.552 -10.132 5.829 1.00 0.00 C ATOM 1264 C ASP A 82 -2.749 -9.126 6.919 1.00 0.00 C ATOM 1265 O ASP A 82 -2.228 -9.242 8.055 1.00 0.00 O ATOM 1266 CB ASP A 82 -1.116 -10.035 5.410 1.00 0.00 C ATOM 1267 CG ASP A 82 -0.200 -9.922 6.637 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.029 -8.787 7.102 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.279 -10.919 7.119 1.00 0.00 O ATOM 0 H ASP A 82 -2.805 -8.859 4.118 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.868 -11.123 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.842 -10.913 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.978 -9.167 4.765 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.507 -8.137 6.576 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.847 -7.114 7.557 1.00 0.00 C ATOM 1276 C GLU A 83 -5.126 -7.664 8.167 1.00 0.00 C ATOM 1277 O GLU A 83 -5.202 -7.905 9.340 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.124 -5.814 6.791 1.00 0.00 C ATOM 1279 CG GLU A 83 -5.496 -5.250 7.181 1.00 0.00 C ATOM 1280 CD GLU A 83 -5.583 -5.142 8.708 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -4.894 -4.309 9.267 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -6.359 -5.886 9.298 1.00 0.00 O ATOM 0 H GLU A 83 -3.905 -8.000 5.647 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.082 -6.904 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.347 -5.082 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.092 -6.002 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.642 -4.270 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.288 -5.897 6.805 1.00 0.00 H new ATOM 1289 N MET A 84 -6.136 -7.888 7.340 1.00 0.00 N ATOM 1290 CA MET A 84 -7.418 -8.401 7.881 1.00 0.00 C ATOM 1291 C MET A 84 -7.272 -9.842 8.361 1.00 0.00 C ATOM 1292 O MET A 84 -8.067 -10.329 9.146 1.00 0.00 O ATOM 1293 CB MET A 84 -8.376 -8.343 6.682 1.00 0.00 C ATOM 1294 CG MET A 84 -8.141 -9.573 5.789 1.00 0.00 C ATOM 1295 SD MET A 84 -9.541 -9.803 4.674 1.00 0.00 S ATOM 1296 CE MET A 84 -8.722 -10.945 3.533 1.00 0.00 C ATOM 0 H MET A 84 -6.114 -7.736 6.332 1.00 0.00 H new ATOM 0 HA MET A 84 -7.765 -7.823 8.738 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.410 -8.321 7.027 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.211 -7.428 6.113 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.224 -9.445 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.008 -10.461 6.407 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.458 -11.366 2.849 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.963 -10.409 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.251 -11.749 4.099 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.250 -10.520 7.907 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.035 -11.926 8.333 1.00 0.00 C ATOM 1308 C GLU A 85 -4.735 -12.031 9.135 1.00 0.00 C ATOM 1309 O GLU A 85 -3.692 -11.732 8.578 1.00 0.00 O ATOM 1310 CB GLU A 85 -5.939 -12.736 7.035 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.057 -14.230 7.354 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.485 -14.707 7.074 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.396 -14.182 7.693 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.642 -15.587 6.245 1.00 0.00 O ATOM 1315 OXT GLU A 85 -4.810 -12.406 10.292 1.00 0.00 O ATOM 0 H GLU A 85 -5.554 -10.155 7.257 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.838 -12.293 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.730 -12.437 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.991 -12.534 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.349 -14.798 6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.801 -14.410 8.398 1.00 0.00 H new TER 1322 GLU A 85