USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 526 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: 1 68 ASN :FLIP amide:sc= -0.835 F(o=-10,f=-8.5) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -7.67! C(o=-11!,f=-8.5!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -6.16! C(o=-11!,f=-10!) USER MOD Set 2.2: 1 33 THR OG1 : rot -140:sc= -3.88! USER MOD Set 3.1: 1 20 SER OG : rot 77:sc= 1.3 USER MOD Set 3.2: 1 23 ASN :FLIP amide:sc= 0.823 F(o=-2,f=2.1) USER MOD Single : 1 7 ASN : amide:sc= -0.0634 K(o=-0.063,f=-1) USER MOD Single : 1 8 LYS NZ :NH3+ -106:sc= 0.196 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.6!) USER MOD Single : 1 25 GLN : amide:sc= -0.0365 X(o=-0.037,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00114) USER MOD Single : 1 37 THR OG1 : rot 90:sc= -3.74! USER MOD Single : 1 40 SER OG : rot 156:sc= 1.31 USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : 1 43 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.013) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 148:sc= -1.94 (180deg=-3.38!) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 1.21 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -101:sc= -2.63 USER MOD Single : 1 75 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0599) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN :FLIP amide:sc= 0.142! F(o=-0.91,f=0.14!) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.538 16.583 12.122 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.327 15.951 10.860 1.00 0.00 C ATOM 44 C VAL 1 4 -0.123 16.560 10.161 1.00 0.00 C ATOM 45 O VAL 1 4 -0.241 17.527 9.409 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.599 16.118 10.014 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.912 17.591 9.800 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.488 15.397 8.698 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.123 14.890 11.001 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.424 15.667 10.565 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.816 17.687 9.199 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -3.065 18.074 10.765 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.080 18.068 9.283 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.406 15.538 8.127 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.645 15.797 8.134 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.332 14.333 8.878 1.00 0.00 H new ATOM 58 N CYS 1 5 1.043 15.989 10.429 1.00 0.00 N ATOM 59 CA CYS 1 5 2.278 16.486 9.833 1.00 0.00 C ATOM 60 C CYS 1 5 2.257 16.202 8.337 1.00 0.00 C ATOM 61 O CYS 1 5 2.563 15.095 7.894 1.00 0.00 O ATOM 62 CB CYS 1 5 3.529 15.855 10.490 1.00 0.00 C ATOM 63 SG CYS 1 5 3.217 14.885 12.017 1.00 0.00 S ATOM 0 H CYS 1 5 1.161 15.188 11.050 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.338 17.561 10.004 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.012 15.205 9.760 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.235 16.651 10.725 1.00 0.00 H new ATOM 68 N GLY 1 6 1.864 17.215 7.569 1.00 0.00 N ATOM 69 CA GLY 1 6 1.769 17.073 6.128 1.00 0.00 C ATOM 70 C GLY 1 6 0.325 16.957 5.656 1.00 0.00 C ATOM 71 O GLY 1 6 0.070 16.664 4.488 1.00 0.00 O ATOM 0 H GLY 1 6 1.608 18.137 7.923 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.239 17.932 5.648 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.324 16.189 5.814 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.621 17.185 6.569 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.047 17.102 6.248 1.00 0.00 C ATOM 77 C ASN 1 7 -2.418 15.697 5.785 1.00 0.00 C ATOM 78 O ASN 1 7 -1.626 15.019 5.131 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.420 18.115 5.162 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.933 19.420 5.739 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.687 19.737 6.903 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.650 20.186 4.925 1.00 0.00 N ATOM 0 H ASN 1 7 -0.424 17.429 7.540 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.604 17.334 7.156 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.547 18.314 4.540 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.182 17.684 4.513 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.021 21.076 5.257 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -3.830 19.884 3.967 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.632 15.264 6.123 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.099 13.941 5.740 1.00 0.00 C ATOM 91 C LYS 1 8 -3.925 13.745 4.248 1.00 0.00 C ATOM 92 O LYS 1 8 -4.722 14.246 3.454 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.567 13.755 6.126 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.964 12.302 6.330 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.670 11.465 5.095 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.612 10.276 4.990 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.911 9.927 3.574 1.00 0.00 N ATOM 0 H LYS 1 8 -4.305 15.811 6.660 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.506 13.196 6.271 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.766 14.309 7.043 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.196 14.189 5.349 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -5.425 11.893 7.185 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -7.027 12.244 6.566 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.764 12.085 4.203 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.639 11.112 5.130 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.167 9.415 5.490 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.542 10.502 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.878 10.228 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -6.236 10.410 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -6.827 8.898 3.445 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.867 13.035 3.864 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.597 12.809 2.443 1.00 0.00 C ATOM 113 C ILE 1 9 -3.879 12.487 1.690 1.00 0.00 C ATOM 114 O ILE 1 9 -4.680 11.659 2.119 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.564 11.691 2.184 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.911 10.414 2.943 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.170 12.165 2.550 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -3.038 9.623 2.314 1.00 0.00 C ATOM 0 H ILE 1 9 -2.193 12.612 4.502 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.169 13.742 2.075 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.590 11.457 1.120 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -1.024 9.783 3.001 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.186 10.672 3.966 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.547 11.366 2.362 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 0.089 13.035 1.946 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.143 12.436 3.606 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -3.230 8.729 2.907 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.938 10.236 2.280 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.758 9.334 1.301 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.069 13.164 0.571 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.255 12.964 -0.243 1.00 0.00 C ATOM 132 C LEU 1 10 -4.956 12.030 -1.411 1.00 0.00 C ATOM 133 O LEU 1 10 -5.770 11.865 -2.320 1.00 0.00 O ATOM 134 CB LEU 1 10 -5.787 14.315 -0.738 1.00 0.00 C ATOM 135 CG LEU 1 10 -4.753 15.251 -1.382 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.010 16.046 -0.318 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -3.773 14.475 -2.253 1.00 0.00 C ATOM 0 H LEU 1 10 -3.417 13.858 0.205 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.026 12.494 0.368 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.579 14.128 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.243 14.835 0.105 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.290 15.950 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.283 16.702 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -4.721 16.645 0.251 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.494 15.361 0.354 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.054 15.165 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.245 13.742 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.318 13.962 -3.046 1.00 0.00 H new ATOM 149 N GLU 1 11 -3.776 11.424 -1.362 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.321 10.494 -2.392 1.00 0.00 C ATOM 151 C GLU 1 11 -1.869 10.088 -2.143 1.00 0.00 C ATOM 152 O GLU 1 11 -1.099 9.907 -3.087 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.439 11.128 -3.782 1.00 0.00 C ATOM 154 CG GLU 1 11 -2.464 12.272 -4.011 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.002 13.316 -4.970 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -4.235 13.361 -5.168 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.192 14.088 -5.524 1.00 0.00 O ATOM 0 H GLU 1 11 -3.105 11.563 -0.606 1.00 0.00 H new ATOM 0 HA GLU 1 11 -3.955 9.608 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.271 10.361 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.456 11.495 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -2.235 12.745 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -1.528 11.873 -4.402 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.491 9.958 -0.873 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.121 9.587 -0.530 1.00 0.00 C ATOM 166 C GLN 1 12 -0.007 9.072 0.908 1.00 0.00 C ATOM 167 O GLN 1 12 0.718 9.641 1.724 1.00 0.00 O ATOM 168 CB GLN 1 12 0.832 10.778 -0.741 1.00 0.00 C ATOM 169 CG GLN 1 12 0.180 12.151 -0.625 1.00 0.00 C ATOM 170 CD GLN 1 12 0.320 12.972 -1.892 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.187 12.706 -2.725 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.534 13.977 -2.044 1.00 0.00 N ATOM 0 H GLN 1 12 -2.107 10.102 -0.073 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.167 8.774 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 1.639 10.712 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.287 10.690 -1.728 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.877 12.028 -0.391 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.630 12.694 0.207 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -1.237 14.162 -1.328 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.487 14.564 -2.877 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.711 7.978 1.208 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.664 7.388 2.546 1.00 0.00 C ATOM 183 C GLY 1 13 0.750 7.262 3.090 1.00 0.00 C ATOM 184 O GLY 1 13 0.955 7.200 4.300 1.00 0.00 O ATOM 0 H GLY 1 13 -1.315 7.487 0.549 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.257 7.999 3.227 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.126 6.401 2.518 1.00 0.00 H new ATOM 188 N GLU 1 14 1.715 7.225 2.182 1.00 0.00 N ATOM 189 CA GLU 1 14 3.130 7.107 2.520 1.00 0.00 C ATOM 190 C GLU 1 14 3.949 7.430 1.286 1.00 0.00 C ATOM 191 O GLU 1 14 5.099 7.016 1.143 1.00 0.00 O ATOM 192 CB GLU 1 14 3.436 5.697 3.026 1.00 0.00 C ATOM 193 CG GLU 1 14 3.467 4.639 1.928 1.00 0.00 C ATOM 194 CD GLU 1 14 2.277 4.728 0.988 1.00 0.00 C ATOM 195 OE1 GLU 1 14 2.234 5.671 0.170 1.00 0.00 O ATOM 196 OE2 GLU 1 14 1.392 3.853 1.067 1.00 0.00 O ATOM 0 H GLU 1 14 1.538 7.276 1.179 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.385 7.807 3.316 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 4.399 5.706 3.536 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 2.686 5.417 3.766 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.387 4.746 1.353 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.490 3.649 2.384 1.00 0.00 H new ATOM 203 N ASP 1 15 3.321 8.188 0.402 1.00 0.00 N ATOM 204 CA ASP 1 15 3.925 8.611 -0.830 1.00 0.00 C ATOM 205 C ASP 1 15 4.386 10.054 -0.687 1.00 0.00 C ATOM 206 O ASP 1 15 4.504 10.778 -1.675 1.00 0.00 O ATOM 207 CB ASP 1 15 2.899 8.466 -1.956 1.00 0.00 C ATOM 208 CG ASP 1 15 3.394 9.001 -3.287 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.521 8.642 -3.688 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.655 9.778 -3.926 1.00 0.00 O ATOM 0 H ASP 1 15 2.367 8.525 0.530 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.793 7.996 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.639 7.414 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.986 8.992 -1.677 1.00 0.00 H new ATOM 215 N CYS 1 16 4.646 10.457 0.570 1.00 0.00 N ATOM 216 CA CYS 1 16 5.105 11.808 0.888 1.00 0.00 C ATOM 217 C CYS 1 16 3.959 12.690 1.387 1.00 0.00 C ATOM 218 O CYS 1 16 3.004 12.959 0.659 1.00 0.00 O ATOM 219 CB CYS 1 16 5.777 12.425 -0.337 1.00 0.00 C ATOM 220 SG CYS 1 16 6.955 13.791 -0.018 1.00 0.00 S ATOM 0 H CYS 1 16 4.542 9.853 1.386 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.832 11.742 1.697 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.306 11.635 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.998 12.794 -1.004 1.00 0.00 H new ATOM 225 N ASP 1 17 4.091 13.140 2.643 1.00 0.00 N ATOM 226 CA ASP 1 17 3.115 14.017 3.304 1.00 0.00 C ATOM 227 C ASP 1 17 2.115 13.226 4.143 1.00 0.00 C ATOM 228 O ASP 1 17 0.982 13.667 4.334 1.00 0.00 O ATOM 229 CB ASP 1 17 2.372 14.895 2.287 1.00 0.00 C ATOM 230 CG ASP 1 17 2.151 16.306 2.792 1.00 0.00 C ATOM 231 OD1 ASP 1 17 2.920 16.750 3.670 1.00 0.00 O ATOM 232 OD2 ASP 1 17 1.208 16.968 2.309 1.00 0.00 O ATOM 0 H ASP 1 17 4.887 12.902 3.235 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.681 14.664 3.974 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.941 14.930 1.358 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.409 14.441 2.054 1.00 0.00 H new ATOM 237 N CYS 1 18 2.544 12.062 4.648 1.00 0.00 N ATOM 238 CA CYS 1 18 1.691 11.192 5.475 1.00 0.00 C ATOM 239 C CYS 1 18 0.565 11.960 6.162 1.00 0.00 C ATOM 240 O CYS 1 18 -0.597 11.562 6.088 1.00 0.00 O ATOM 241 CB CYS 1 18 2.520 10.462 6.542 1.00 0.00 C ATOM 242 SG CYS 1 18 3.944 9.534 5.883 1.00 0.00 S ATOM 0 H CYS 1 18 3.485 11.697 4.498 1.00 0.00 H new ATOM 0 HA CYS 1 18 1.245 10.468 4.793 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.881 11.192 7.267 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.870 9.772 7.081 1.00 0.00 H new ATOM 247 N GLY 1 19 0.914 13.053 6.836 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.088 13.838 7.535 1.00 0.00 C ATOM 249 C GLY 1 19 -0.684 13.088 8.692 1.00 0.00 C ATOM 250 O GLY 1 19 -0.517 13.494 9.836 1.00 0.00 O ATOM 0 H GLY 1 19 1.868 13.407 6.910 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.363 14.763 7.896 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.879 14.119 6.839 1.00 0.00 H new ATOM 254 N SER 1 20 -1.382 11.991 8.410 1.00 0.00 N ATOM 255 CA SER 1 20 -2.001 11.216 9.469 1.00 0.00 C ATOM 256 C SER 1 20 -0.976 10.912 10.547 1.00 0.00 C ATOM 257 O SER 1 20 -0.103 10.059 10.380 1.00 0.00 O ATOM 258 CB SER 1 20 -2.606 9.931 8.923 1.00 0.00 C ATOM 259 OG SER 1 20 -1.608 9.077 8.390 1.00 0.00 O ATOM 0 H SER 1 20 -1.529 11.626 7.469 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.810 11.803 9.904 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.144 9.414 9.717 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.335 10.170 8.148 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.135 8.629 9.122 1.00 0.00 H new ATOM 265 N PRO 1 21 -1.060 11.648 11.660 1.00 0.00 N ATOM 266 CA PRO 1 21 -0.128 11.509 12.775 1.00 0.00 C ATOM 267 C PRO 1 21 -0.013 10.076 13.266 1.00 0.00 C ATOM 268 O PRO 1 21 1.018 9.680 13.808 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.722 12.414 13.855 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.521 13.421 13.102 1.00 0.00 C ATOM 271 CD PRO 1 21 -2.064 12.699 11.902 1.00 0.00 C ATOM 0 HA PRO 1 21 0.888 11.783 12.491 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -1.347 11.849 14.547 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.059 12.890 14.447 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.328 13.819 13.717 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.902 14.267 12.802 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -3.050 12.277 12.098 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -2.166 13.364 11.044 1.00 0.00 H new ATOM 279 N ALA 1 22 -1.062 9.290 13.053 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.046 7.893 13.459 1.00 0.00 C ATOM 281 C ALA 1 22 0.187 7.198 12.887 1.00 0.00 C ATOM 282 O ALA 1 22 0.642 6.180 13.408 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.316 7.191 13.001 1.00 0.00 C ATOM 0 H ALA 1 22 -1.927 9.594 12.605 1.00 0.00 H new ATOM 0 HA ALA 1 22 -1.003 7.843 14.547 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.287 6.147 13.313 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.183 7.679 13.447 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.389 7.243 11.915 1.00 0.00 H new ATOM 289 N ASN 1 23 0.722 7.768 11.807 1.00 0.00 N ATOM 290 CA ASN 1 23 1.900 7.226 11.151 1.00 0.00 C ATOM 291 C ASN 1 23 3.086 8.190 11.249 1.00 0.00 C ATOM 292 O ASN 1 23 4.235 7.786 11.071 1.00 0.00 O ATOM 293 CB ASN 1 23 1.588 6.923 9.685 1.00 0.00 C ATOM 294 CG ASN 1 23 0.261 6.209 9.510 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.832 6.948 9.658 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 0.219 5.008 9.244 1.00 0.00 N flip ATOM 0 H ASN 1 23 0.351 8.611 11.369 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.176 6.302 11.660 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.573 7.855 9.120 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.385 6.309 9.266 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 1.084 4.478 9.139 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.681 4.542 9.128 1.00 0.00 H new ATOM 303 N CYS 1 24 2.808 9.466 11.533 1.00 0.00 N ATOM 304 CA CYS 1 24 3.865 10.473 11.652 1.00 0.00 C ATOM 305 C CYS 1 24 4.912 10.038 12.671 1.00 0.00 C ATOM 306 O CYS 1 24 4.773 10.298 13.866 1.00 0.00 O ATOM 307 CB CYS 1 24 3.274 11.834 12.050 1.00 0.00 C ATOM 308 SG CYS 1 24 4.419 13.248 11.863 1.00 0.00 S ATOM 0 H CYS 1 24 1.865 9.824 11.684 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.347 10.573 10.680 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.386 12.020 11.445 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.947 11.783 13.089 1.00 0.00 H new ATOM 313 N GLN 1 25 5.958 9.371 12.183 1.00 0.00 N ATOM 314 CA GLN 1 25 7.047 8.885 13.035 1.00 0.00 C ATOM 315 C GLN 1 25 6.687 7.552 13.690 1.00 0.00 C ATOM 316 O GLN 1 25 7.477 6.608 13.664 1.00 0.00 O ATOM 317 CB GLN 1 25 7.408 9.919 14.107 1.00 0.00 C ATOM 318 CG GLN 1 25 7.418 11.351 13.592 1.00 0.00 C ATOM 319 CD GLN 1 25 8.768 12.022 13.757 1.00 0.00 C ATOM 320 OE1 GLN 1 25 8.874 13.089 14.361 1.00 0.00 O ATOM 321 NE2 GLN 1 25 9.809 11.398 13.218 1.00 0.00 N ATOM 0 H GLN 1 25 6.076 9.153 11.194 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.916 8.728 12.396 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 6.696 9.842 14.929 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.391 9.681 14.514 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.141 11.356 12.538 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 6.662 11.929 14.123 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.675 10.515 12.726 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 10.742 11.802 13.296 1.00 0.00 H new ATOM 330 N ASP 1 26 5.496 7.478 14.278 1.00 0.00 N ATOM 331 CA ASP 1 26 5.043 6.257 14.938 1.00 0.00 C ATOM 332 C ASP 1 26 5.087 5.064 13.984 1.00 0.00 C ATOM 333 O ASP 1 26 6.027 4.269 14.016 1.00 0.00 O ATOM 334 CB ASP 1 26 3.624 6.443 15.480 1.00 0.00 C ATOM 335 CG ASP 1 26 3.611 7.029 16.879 1.00 0.00 C ATOM 336 OD1 ASP 1 26 3.716 6.250 17.849 1.00 0.00 O ATOM 337 OD2 ASP 1 26 3.497 8.266 17.003 1.00 0.00 O ATOM 0 H ASP 1 26 4.828 8.248 14.311 1.00 0.00 H new ATOM 0 HA ASP 1 26 5.719 6.053 15.768 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 3.065 7.096 14.810 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.112 5.481 15.487 1.00 0.00 H new ATOM 342 N ARG 1 27 4.067 4.941 13.139 1.00 0.00 N ATOM 343 CA ARG 1 27 3.995 3.843 12.181 1.00 0.00 C ATOM 344 C ARG 1 27 5.160 3.907 11.193 1.00 0.00 C ATOM 345 O ARG 1 27 6.174 4.552 11.462 1.00 0.00 O ATOM 346 CB ARG 1 27 2.659 3.877 11.435 1.00 0.00 C ATOM 347 CG ARG 1 27 2.083 2.499 11.153 1.00 0.00 C ATOM 348 CD ARG 1 27 1.074 2.090 12.214 1.00 0.00 C ATOM 349 NE ARG 1 27 1.713 1.441 13.356 1.00 0.00 N ATOM 350 CZ ARG 1 27 1.068 1.091 14.466 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -0.232 1.326 14.589 1.00 0.00 N ATOM 352 NH2 ARG 1 27 1.726 0.505 15.457 1.00 0.00 N ATOM 0 H ARG 1 27 3.280 5.588 13.099 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.066 2.904 12.730 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.940 4.449 12.021 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.793 4.405 10.491 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.604 2.497 10.174 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.890 1.767 11.115 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.530 2.971 12.555 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.341 1.413 11.775 1.00 0.00 H new ATOM 0 HE ARG 1 27 2.712 1.245 13.299 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -0.743 1.777 13.830 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -0.721 1.055 15.442 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 2.726 0.323 15.368 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 1.232 0.236 16.308 1.00 0.00 H new ATOM 366 N CYS 1 28 5.015 3.234 10.054 1.00 0.00 N ATOM 367 CA CYS 1 28 6.063 3.217 9.039 1.00 0.00 C ATOM 368 C CYS 1 28 5.863 4.333 8.013 1.00 0.00 C ATOM 369 O CYS 1 28 6.044 4.125 6.813 1.00 0.00 O ATOM 370 CB CYS 1 28 6.096 1.856 8.336 1.00 0.00 C ATOM 371 SG CYS 1 28 4.660 1.529 7.260 1.00 0.00 S ATOM 0 H CYS 1 28 4.184 2.695 9.812 1.00 0.00 H new ATOM 0 HA CYS 1 28 7.017 3.386 9.539 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 7.005 1.792 7.738 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 6.155 1.072 9.091 1.00 0.00 H new ATOM 376 N CYS 1 29 5.494 5.518 8.490 1.00 0.00 N ATOM 377 CA CYS 1 29 5.274 6.657 7.605 1.00 0.00 C ATOM 378 C CYS 1 29 5.950 7.912 8.138 1.00 0.00 C ATOM 379 O CYS 1 29 5.984 8.149 9.345 1.00 0.00 O ATOM 380 CB CYS 1 29 3.777 6.917 7.442 1.00 0.00 C ATOM 381 SG CYS 1 29 3.304 7.607 5.825 1.00 0.00 S ATOM 0 H CYS 1 29 5.342 5.714 9.479 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.712 6.413 6.637 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.239 5.981 7.595 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.453 7.603 8.225 1.00 0.00 H new ATOM 386 N ASN 1 30 6.474 8.720 7.225 1.00 0.00 N ATOM 387 CA ASN 1 30 7.133 9.959 7.594 1.00 0.00 C ATOM 388 C ASN 1 30 6.273 11.151 7.227 1.00 0.00 C ATOM 389 O ASN 1 30 6.334 11.663 6.109 1.00 0.00 O ATOM 390 CB ASN 1 30 8.485 10.076 6.908 1.00 0.00 C ATOM 391 CG ASN 1 30 9.528 9.165 7.522 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.663 9.225 8.842 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.206 8.415 6.819 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.453 8.536 6.222 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.284 9.948 8.673 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.374 9.835 5.851 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.830 11.108 6.966 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.069 8.401 5.808 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.905 7.808 7.247 1.00 0.00 H new ATOM 400 N ALA 1 31 5.494 11.603 8.190 1.00 0.00 N ATOM 401 CA ALA 1 31 4.636 12.761 7.994 1.00 0.00 C ATOM 402 C ALA 1 31 5.466 14.025 8.155 1.00 0.00 C ATOM 403 O ALA 1 31 5.092 15.102 7.691 1.00 0.00 O ATOM 404 CB ALA 1 31 3.462 12.734 8.963 1.00 0.00 C ATOM 0 H ALA 1 31 5.436 11.187 9.119 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.218 12.741 6.988 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.834 13.610 8.798 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.875 11.830 8.799 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.835 12.743 9.987 1.00 0.00 H new ATOM 410 N ALA 1 32 6.623 13.861 8.793 1.00 0.00 N ATOM 411 CA ALA 1 32 7.559 14.953 9.001 1.00 0.00 C ATOM 412 C ALA 1 32 8.705 14.836 8.004 1.00 0.00 C ATOM 413 O ALA 1 32 9.390 15.814 7.703 1.00 0.00 O ATOM 414 CB ALA 1 32 8.091 14.927 10.426 1.00 0.00 C ATOM 0 H ALA 1 32 6.933 12.969 9.178 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.045 15.902 8.845 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.791 15.750 10.568 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.262 15.031 11.126 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.602 13.981 10.606 1.00 0.00 H new ATOM 420 N THR 1 33 8.898 13.620 7.494 1.00 0.00 N ATOM 421 CA THR 1 33 9.947 13.342 6.527 1.00 0.00 C ATOM 422 C THR 1 33 9.359 13.136 5.130 1.00 0.00 C ATOM 423 O THR 1 33 10.072 12.807 4.182 1.00 0.00 O ATOM 424 CB THR 1 33 10.741 12.115 6.973 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.278 11.647 8.228 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.207 12.385 7.126 1.00 0.00 C ATOM 0 H THR 1 33 8.333 12.808 7.741 1.00 0.00 H new ATOM 0 HA THR 1 33 10.620 14.198 6.477 1.00 0.00 H new ATOM 0 HB THR 1 33 10.592 11.376 6.186 1.00 0.00 H new ATOM 0 HG1 THR 1 33 11.042 11.371 8.776 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.713 11.474 7.444 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.618 12.714 6.172 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.357 13.164 7.873 1.00 0.00 H new ATOM 434 N CYS 1 34 8.052 13.354 5.019 1.00 0.00 N ATOM 435 CA CYS 1 34 7.332 13.227 3.758 1.00 0.00 C ATOM 436 C CYS 1 34 7.718 11.977 2.967 1.00 0.00 C ATOM 437 O CYS 1 34 8.037 12.065 1.784 1.00 0.00 O ATOM 438 CB CYS 1 34 7.551 14.471 2.893 1.00 0.00 C ATOM 439 SG CYS 1 34 6.256 14.743 1.635 1.00 0.00 S ATOM 0 H CYS 1 34 7.461 13.625 5.805 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.277 13.130 4.016 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.602 15.346 3.541 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.516 14.387 2.393 1.00 0.00 H new ATOM 444 N LYS 1 35 7.670 10.808 3.595 1.00 0.00 N ATOM 445 CA LYS 1 35 7.995 9.576 2.872 1.00 0.00 C ATOM 446 C LYS 1 35 7.863 8.328 3.733 1.00 0.00 C ATOM 447 O LYS 1 35 8.251 8.311 4.896 1.00 0.00 O ATOM 448 CB LYS 1 35 9.406 9.648 2.307 1.00 0.00 C ATOM 449 CG LYS 1 35 9.525 9.113 0.889 1.00 0.00 C ATOM 450 CD LYS 1 35 8.801 10.004 -0.107 1.00 0.00 C ATOM 451 CE LYS 1 35 9.564 11.295 -0.355 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.715 11.092 -1.278 1.00 0.00 N ATOM 0 H LYS 1 35 7.417 10.683 4.575 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.268 9.496 2.064 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.742 10.685 2.324 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 10.077 9.085 2.956 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.577 9.039 0.614 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.112 8.105 0.844 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.672 9.470 -1.048 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 7.804 10.235 0.268 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 8.889 12.041 -0.775 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 9.925 11.691 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 11.199 11.999 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.381 10.412 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.370 10.722 -2.187 1.00 0.00 H new ATOM 466 N LEU 1 36 7.345 7.262 3.137 1.00 0.00 N ATOM 467 CA LEU 1 36 7.206 5.998 3.856 1.00 0.00 C ATOM 468 C LEU 1 36 8.565 5.573 4.413 1.00 0.00 C ATOM 469 O LEU 1 36 9.539 5.452 3.672 1.00 0.00 O ATOM 470 CB LEU 1 36 6.630 4.912 2.944 1.00 0.00 C ATOM 471 CG LEU 1 36 7.603 4.304 1.937 1.00 0.00 C ATOM 472 CD1 LEU 1 36 6.889 3.273 1.073 1.00 0.00 C ATOM 473 CD2 LEU 1 36 8.222 5.394 1.075 1.00 0.00 C ATOM 0 H LEU 1 36 7.018 7.244 2.171 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.511 6.138 4.684 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.236 4.111 3.569 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.787 5.333 2.397 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.404 3.803 2.480 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 7.593 2.846 0.359 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 6.490 2.481 1.707 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 6.072 3.753 0.534 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.913 4.945 0.362 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.436 5.921 0.535 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 8.761 6.097 1.710 1.00 0.00 H new ATOM 485 N THR 1 37 8.632 5.387 5.726 1.00 0.00 N ATOM 486 CA THR 1 37 9.884 5.021 6.381 1.00 0.00 C ATOM 487 C THR 1 37 10.479 3.729 5.831 1.00 0.00 C ATOM 488 O THR 1 37 9.759 2.822 5.411 1.00 0.00 O ATOM 489 CB THR 1 37 9.681 4.891 7.887 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.522 4.135 8.175 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.551 6.226 8.579 1.00 0.00 C ATOM 0 H THR 1 37 7.837 5.483 6.358 1.00 0.00 H new ATOM 0 HA THR 1 37 10.591 5.824 6.171 1.00 0.00 H new ATOM 0 HB THR 1 37 10.573 4.389 8.262 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.758 3.186 8.241 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.409 6.069 9.648 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.456 6.810 8.415 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.694 6.764 8.174 1.00 0.00 H new ATOM 499 N PRO 1 38 11.821 3.636 5.844 1.00 0.00 N ATOM 500 CA PRO 1 38 12.549 2.458 5.363 1.00 0.00 C ATOM 501 C PRO 1 38 11.971 1.155 5.901 1.00 0.00 C ATOM 502 O PRO 1 38 11.437 1.110 7.009 1.00 0.00 O ATOM 503 CB PRO 1 38 13.955 2.680 5.915 1.00 0.00 C ATOM 504 CG PRO 1 38 14.099 4.158 5.969 1.00 0.00 C ATOM 505 CD PRO 1 38 12.741 4.681 6.343 1.00 0.00 C ATOM 0 HA PRO 1 38 12.502 2.360 4.278 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 14.070 2.233 6.902 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.711 2.230 5.271 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.849 4.453 6.703 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.421 4.556 5.007 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.646 4.819 7.420 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.541 5.647 5.879 1.00 0.00 H new ATOM 513 N GLY 1 39 12.082 0.099 5.106 1.00 0.00 N ATOM 514 CA GLY 1 39 11.567 -1.194 5.515 1.00 0.00 C ATOM 515 C GLY 1 39 10.150 -1.431 5.034 1.00 0.00 C ATOM 516 O GLY 1 39 9.778 -2.559 4.711 1.00 0.00 O ATOM 0 H GLY 1 39 12.520 0.114 4.185 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.215 -1.979 5.127 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.595 -1.266 6.602 1.00 0.00 H new ATOM 520 N SER 1 40 9.358 -0.365 4.984 1.00 0.00 N ATOM 521 CA SER 1 40 7.975 -0.464 4.538 1.00 0.00 C ATOM 522 C SER 1 40 7.888 -0.357 3.019 1.00 0.00 C ATOM 523 O SER 1 40 8.304 0.642 2.433 1.00 0.00 O ATOM 524 CB SER 1 40 7.128 0.632 5.187 1.00 0.00 C ATOM 525 OG SER 1 40 5.816 0.648 4.652 1.00 0.00 O ATOM 0 H SER 1 40 9.651 0.576 5.247 1.00 0.00 H new ATOM 0 HA SER 1 40 7.589 -1.438 4.840 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.083 0.471 6.264 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.600 1.602 5.029 1.00 0.00 H new ATOM 0 HG SER 1 40 5.204 1.057 5.299 1.00 0.00 H new ATOM 531 N GLN 1 41 7.342 -1.391 2.388 1.00 0.00 N ATOM 532 CA GLN 1 41 7.199 -1.406 0.937 1.00 0.00 C ATOM 533 C GLN 1 41 6.097 -0.447 0.502 1.00 0.00 C ATOM 534 O GLN 1 41 6.189 0.189 -0.547 1.00 0.00 O ATOM 535 CB GLN 1 41 6.886 -2.821 0.447 1.00 0.00 C ATOM 536 CG GLN 1 41 7.987 -3.825 0.743 1.00 0.00 C ATOM 537 CD GLN 1 41 8.896 -4.062 -0.447 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.386 -3.118 -1.066 1.00 0.00 O ATOM 539 NE2 GLN 1 41 9.124 -5.329 -0.774 1.00 0.00 N ATOM 0 H GLN 1 41 6.992 -2.227 2.857 1.00 0.00 H new ATOM 0 HA GLN 1 41 8.141 -1.082 0.495 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 5.961 -3.161 0.912 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 6.710 -2.793 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 8.582 -3.469 1.584 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 7.539 -4.771 1.047 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 8.697 -6.080 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 9.726 -5.551 -1.567 1.00 0.00 H new ATOM 548 N CYS 1 42 5.060 -0.346 1.325 1.00 0.00 N ATOM 549 CA CYS 1 42 3.939 0.539 1.040 1.00 0.00 C ATOM 550 C CYS 1 42 3.033 0.672 2.256 1.00 0.00 C ATOM 551 O CYS 1 42 3.055 -0.168 3.155 1.00 0.00 O ATOM 552 CB CYS 1 42 3.134 0.025 -0.160 1.00 0.00 C ATOM 553 SG CYS 1 42 2.151 -1.479 0.168 1.00 0.00 S ATOM 0 H CYS 1 42 4.973 -0.868 2.197 1.00 0.00 H new ATOM 0 HA CYS 1 42 4.342 1.522 0.796 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 2.463 0.816 -0.495 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.821 -0.179 -0.981 1.00 0.00 H new ATOM 558 N ASN 1 43 2.223 1.721 2.266 1.00 0.00 N ATOM 559 CA ASN 1 43 1.289 1.957 3.358 1.00 0.00 C ATOM 560 C ASN 1 43 -0.148 1.806 2.866 1.00 0.00 C ATOM 561 O ASN 1 43 -1.046 1.457 3.632 1.00 0.00 O ATOM 562 CB ASN 1 43 1.495 3.347 3.957 1.00 0.00 C ATOM 563 CG ASN 1 43 0.740 3.534 5.258 1.00 0.00 C ATOM 564 OD1 ASN 1 43 1.317 3.449 6.342 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.559 3.790 5.157 1.00 0.00 N ATOM 0 H ASN 1 43 2.194 2.424 1.528 1.00 0.00 H new ATOM 0 HA ASN 1 43 1.478 1.216 4.135 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.559 3.511 4.131 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 1.169 4.100 3.240 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -1.119 3.925 5.999 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.997 3.852 4.238 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.352 2.060 1.575 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.673 1.942 0.968 1.00 0.00 C ATOM 574 C TYR 1 44 -1.563 1.376 -0.446 1.00 0.00 C ATOM 575 O TYR 1 44 -0.686 1.771 -1.216 1.00 0.00 O ATOM 576 CB TYR 1 44 -2.391 3.306 0.966 1.00 0.00 C ATOM 577 CG TYR 1 44 -2.306 4.078 -0.340 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -2.957 3.628 -1.485 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -1.579 5.261 -0.425 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -2.885 4.331 -2.671 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -1.504 5.970 -1.609 1.00 0.00 C ATOM 582 CZ TYR 1 44 -2.158 5.501 -2.729 1.00 0.00 C ATOM 583 OH TYR 1 44 -2.085 6.204 -3.909 1.00 0.00 O ATOM 0 H TYR 1 44 0.383 2.349 0.929 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.269 1.249 1.563 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -3.442 3.146 1.208 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -1.971 3.921 1.762 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -3.529 2.713 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -1.064 5.632 0.449 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -3.396 3.966 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.936 6.887 -1.657 1.00 0.00 H new ATOM 0 HH TYR 1 44 -1.535 7.005 -3.779 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.456 0.453 -0.783 1.00 0.00 N ATOM 594 CA GLY 1 45 -2.439 -0.146 -2.104 1.00 0.00 C ATOM 595 C GLY 1 45 -3.068 -1.524 -2.125 1.00 0.00 C ATOM 596 O GLY 1 45 -3.352 -2.101 -1.076 1.00 0.00 O ATOM 0 H GLY 1 45 -3.191 0.109 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.970 0.503 -2.800 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.409 -0.215 -2.455 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.286 -2.053 -3.324 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.885 -3.373 -3.480 1.00 0.00 C ATOM 602 C GLU 1 46 -2.995 -4.446 -2.865 1.00 0.00 C ATOM 603 O GLU 1 46 -3.477 -5.378 -2.223 1.00 0.00 O ATOM 604 CB GLU 1 46 -4.112 -3.679 -4.961 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.485 -3.268 -5.465 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.802 -1.814 -5.175 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -5.276 -0.938 -5.894 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -6.575 -1.551 -4.231 1.00 0.00 O ATOM 0 H GLU 1 46 -3.057 -1.588 -4.202 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.844 -3.374 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.350 -3.168 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.979 -4.748 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.540 -3.440 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -6.242 -3.900 -5.002 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.692 -4.306 -3.076 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.723 -5.260 -2.554 1.00 0.00 C ATOM 617 C CYS 1 47 -0.111 -4.763 -1.251 1.00 0.00 C ATOM 618 O CYS 1 47 1.028 -5.093 -0.930 1.00 0.00 O ATOM 619 CB CYS 1 47 0.384 -5.488 -3.581 1.00 0.00 C ATOM 620 SG CYS 1 47 0.086 -6.888 -4.700 1.00 0.00 S ATOM 0 H CYS 1 47 -1.282 -3.538 -3.607 1.00 0.00 H new ATOM 0 HA CYS 1 47 -1.243 -6.197 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 0.505 -4.582 -4.175 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.324 -5.652 -3.055 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.862 -3.965 -0.507 1.00 0.00 N ATOM 626 CA CYS 1 48 -0.371 -3.423 0.752 1.00 0.00 C ATOM 627 C CYS 1 48 -0.885 -4.228 1.940 1.00 0.00 C ATOM 628 O CYS 1 48 -2.082 -4.489 2.057 1.00 0.00 O ATOM 629 CB CYS 1 48 -0.785 -1.956 0.883 1.00 0.00 C ATOM 630 SG CYS 1 48 0.583 -0.819 1.282 1.00 0.00 S ATOM 0 H CYS 1 48 -1.810 -3.679 -0.751 1.00 0.00 H new ATOM 0 HA CYS 1 48 0.717 -3.490 0.752 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -1.246 -1.636 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -1.547 -1.874 1.658 1.00 0.00 H new ATOM 635 N ASP 1 49 0.033 -4.617 2.819 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.319 -5.392 4.001 1.00 0.00 C ATOM 637 C ASP 1 49 0.719 -5.210 5.105 1.00 0.00 C ATOM 638 O ASP 1 49 1.808 -5.783 5.050 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.447 -6.874 3.645 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.055 -7.689 4.769 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.245 -7.475 5.081 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -0.340 -8.540 5.339 1.00 0.00 O ATOM 0 H ASP 1 49 1.028 -4.407 2.734 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.279 -5.028 4.368 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.062 -6.978 2.751 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.538 -7.273 3.403 1.00 0.00 H new ATOM 647 N GLN 1 50 0.370 -4.413 6.108 1.00 0.00 N ATOM 648 CA GLN 1 50 1.261 -4.154 7.238 1.00 0.00 C ATOM 649 C GLN 1 50 2.647 -3.712 6.770 1.00 0.00 C ATOM 650 O GLN 1 50 3.636 -4.417 6.972 1.00 0.00 O ATOM 651 CB GLN 1 50 1.380 -5.404 8.112 1.00 0.00 C ATOM 652 CG GLN 1 50 0.143 -5.678 8.953 1.00 0.00 C ATOM 653 CD GLN 1 50 0.469 -6.377 10.258 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.467 -7.606 10.335 1.00 0.00 O ATOM 655 NE2 GLN 1 50 0.752 -5.595 11.293 1.00 0.00 N ATOM 0 H GLN 1 50 -0.528 -3.932 6.164 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.829 -3.342 7.823 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.574 -6.266 7.474 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.241 -5.296 8.772 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -0.363 -4.736 9.166 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.553 -6.291 8.380 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.742 -4.581 11.184 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 0.980 -6.008 12.197 1.00 0.00 H new ATOM 664 N CYS 1 51 2.712 -2.536 6.151 1.00 0.00 N ATOM 665 CA CYS 1 51 3.977 -1.991 5.660 1.00 0.00 C ATOM 666 C CYS 1 51 4.769 -3.032 4.870 1.00 0.00 C ATOM 667 O CYS 1 51 5.997 -2.969 4.804 1.00 0.00 O ATOM 668 CB CYS 1 51 4.822 -1.475 6.828 1.00 0.00 C ATOM 669 SG CYS 1 51 3.966 -0.271 7.897 1.00 0.00 S ATOM 0 H CYS 1 51 1.902 -1.940 5.977 1.00 0.00 H new ATOM 0 HA CYS 1 51 3.741 -1.165 4.990 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.138 -2.323 7.436 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.726 -1.013 6.431 1.00 0.00 H new ATOM 674 N ARG 1 52 4.064 -3.987 4.271 1.00 0.00 N ATOM 675 CA ARG 1 52 4.712 -5.034 3.487 1.00 0.00 C ATOM 676 C ARG 1 52 3.823 -5.474 2.330 1.00 0.00 C ATOM 677 O ARG 1 52 2.596 -5.422 2.424 1.00 0.00 O ATOM 678 CB ARG 1 52 5.043 -6.234 4.376 1.00 0.00 C ATOM 679 CG ARG 1 52 6.008 -5.908 5.504 1.00 0.00 C ATOM 680 CD ARG 1 52 7.380 -5.526 4.971 1.00 0.00 C ATOM 681 NE ARG 1 52 8.058 -6.657 4.344 1.00 0.00 N ATOM 682 CZ ARG 1 52 8.551 -7.693 5.019 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.443 -7.744 6.341 1.00 0.00 N ATOM 684 NH2 ARG 1 52 9.153 -8.681 4.371 1.00 0.00 N ATOM 0 H ARG 1 52 3.047 -4.058 4.313 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.637 -4.628 3.077 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.119 -6.626 4.801 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.471 -7.025 3.760 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 5.608 -5.089 6.101 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.100 -6.769 6.165 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.275 -4.719 4.246 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.992 -5.144 5.788 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.160 -6.653 3.329 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.980 -6.987 6.844 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 8.822 -8.540 6.853 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 9.238 -8.647 3.355 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 9.531 -9.475 4.888 1.00 0.00 H new ATOM 698 N PHE 1 53 4.445 -5.906 1.236 1.00 0.00 N ATOM 699 CA PHE 1 53 3.697 -6.351 0.067 1.00 0.00 C ATOM 700 C PHE 1 53 3.094 -7.726 0.298 1.00 0.00 C ATOM 701 O PHE 1 53 3.728 -8.604 0.884 1.00 0.00 O ATOM 702 CB PHE 1 53 4.591 -6.384 -1.177 1.00 0.00 C ATOM 703 CG PHE 1 53 4.861 -5.030 -1.769 1.00 0.00 C ATOM 704 CD1 PHE 1 53 3.923 -4.014 -1.673 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.053 -4.774 -2.426 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.167 -2.774 -2.217 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.304 -3.531 -2.974 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.359 -2.528 -2.869 1.00 0.00 C ATOM 0 H PHE 1 53 5.459 -5.957 1.136 1.00 0.00 H new ATOM 0 HA PHE 1 53 2.891 -5.635 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.541 -6.852 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.121 -7.013 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 2.988 -4.198 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.794 -5.555 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 3.426 -1.993 -2.134 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.237 -3.343 -3.484 1.00 0.00 H new ATOM 0 HZ PHE 1 53 5.552 -1.555 -3.296 1.00 0.00 H new ATOM 718 N LYS 1 54 1.869 -7.913 -0.176 1.00 0.00 N ATOM 719 CA LYS 1 54 1.190 -9.193 -0.026 1.00 0.00 C ATOM 720 C LYS 1 54 1.963 -10.285 -0.752 1.00 0.00 C ATOM 721 O LYS 1 54 2.004 -10.312 -1.980 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.237 -9.111 -0.568 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.013 -7.914 -0.049 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.508 -8.185 -0.010 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.999 -8.410 1.412 1.00 0.00 C ATOM 726 NZ LYS 1 54 -2.295 -9.543 2.074 1.00 0.00 N ATOM 0 H LYS 1 54 1.328 -7.199 -0.665 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.144 -9.437 1.035 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.202 -9.067 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.771 -10.023 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.663 -7.660 0.952 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.817 -7.050 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -3.043 -7.344 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.736 -9.061 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -2.850 -7.501 1.995 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -4.071 -8.608 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -2.218 -9.355 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -2.832 -10.421 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -1.343 -9.645 1.668 1.00 0.00 H new ATOM 740 N LYS 1 55 2.582 -11.181 0.014 1.00 0.00 N ATOM 741 CA LYS 1 55 3.364 -12.276 -0.556 1.00 0.00 C ATOM 742 C LYS 1 55 2.734 -12.793 -1.845 1.00 0.00 C ATOM 743 O LYS 1 55 1.540 -13.109 -1.882 1.00 0.00 O ATOM 744 CB LYS 1 55 3.493 -13.417 0.454 1.00 0.00 C ATOM 745 CG LYS 1 55 4.336 -14.579 -0.044 1.00 0.00 C ATOM 746 CD LYS 1 55 4.338 -15.731 0.948 1.00 0.00 C ATOM 747 CE LYS 1 55 4.580 -17.062 0.255 1.00 0.00 C ATOM 748 NZ LYS 1 55 4.577 -18.198 1.217 1.00 0.00 N ATOM 0 H LYS 1 55 2.557 -11.170 1.034 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.356 -11.890 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.931 -13.029 1.373 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.497 -13.783 0.705 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.951 -14.924 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 5.359 -14.242 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.110 -15.565 1.699 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.384 -15.761 1.474 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 3.810 -17.223 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.536 -17.031 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 4.745 -19.087 0.705 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 5.328 -18.057 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 3.655 -18.244 1.697 1.00 0.00 H new ATOM 762 N ALA 1 56 3.539 -12.866 -2.904 1.00 0.00 N ATOM 763 CA ALA 1 56 3.059 -13.338 -4.198 1.00 0.00 C ATOM 764 C ALA 1 56 2.093 -14.497 -4.021 1.00 0.00 C ATOM 765 O ALA 1 56 2.406 -15.483 -3.353 1.00 0.00 O ATOM 766 CB ALA 1 56 4.215 -13.757 -5.086 1.00 0.00 C ATOM 0 H ALA 1 56 4.525 -12.604 -2.890 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.534 -12.513 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.830 -14.105 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.877 -12.906 -5.248 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.770 -14.562 -4.605 1.00 0.00 H new ATOM 772 N GLY 1 57 0.914 -14.363 -4.600 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.086 -15.400 -4.468 1.00 0.00 C ATOM 774 C GLY 1 57 -1.313 -14.906 -3.731 1.00 0.00 C ATOM 775 O GLY 1 57 -2.331 -15.595 -3.679 1.00 0.00 O ATOM 0 H GLY 1 57 0.630 -13.558 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.374 -15.755 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.340 -16.250 -3.936 1.00 0.00 H new ATOM 779 N THR 1 58 -1.224 -13.700 -3.173 1.00 0.00 N ATOM 780 CA THR 1 58 -2.347 -13.111 -2.460 1.00 0.00 C ATOM 781 C THR 1 58 -3.328 -12.489 -3.448 1.00 0.00 C ATOM 782 O THR 1 58 -3.058 -11.432 -4.017 1.00 0.00 O ATOM 783 CB THR 1 58 -1.855 -12.046 -1.482 1.00 0.00 C ATOM 784 OG1 THR 1 58 -0.823 -12.557 -0.657 1.00 0.00 O ATOM 785 CG2 THR 1 58 -2.948 -11.524 -0.583 1.00 0.00 C ATOM 0 H THR 1 58 -0.388 -13.117 -3.203 1.00 0.00 H new ATOM 0 HA THR 1 58 -2.853 -13.898 -1.901 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.489 -11.227 -2.101 1.00 0.00 H new ATOM 0 HG1 THR 1 58 0.019 -12.571 -1.158 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.537 -10.771 0.089 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.736 -11.078 -1.190 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.361 -12.346 0.002 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.463 -13.150 -3.658 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.466 -12.649 -4.590 1.00 0.00 C ATOM 795 C VAL 1 59 -6.016 -11.301 -4.137 1.00 0.00 C ATOM 796 O VAL 1 59 -6.642 -11.199 -3.083 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.644 -13.634 -4.755 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.330 -13.878 -3.420 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.637 -13.115 -5.786 1.00 0.00 C ATOM 0 H VAL 1 59 -4.709 -14.027 -3.199 1.00 0.00 H new ATOM 0 HA VAL 1 59 -4.962 -12.536 -5.550 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.248 -14.585 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.157 -14.575 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.614 -14.300 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.711 -12.935 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.459 -13.823 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.027 -12.150 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.136 -13.000 -6.747 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.788 -10.270 -4.944 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.276 -8.933 -4.621 1.00 0.00 C ATOM 811 C CYS 1 60 -7.494 -8.577 -5.467 1.00 0.00 C ATOM 812 O CYS 1 60 -8.304 -7.734 -5.083 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.186 -7.883 -4.840 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.531 -8.390 -4.288 1.00 0.00 S ATOM 0 H CYS 1 60 -5.272 -10.333 -5.821 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.560 -8.938 -3.569 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.142 -7.639 -5.901 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.467 -6.971 -4.314 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.607 -9.213 -6.629 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.717 -8.949 -7.540 1.00 0.00 C ATOM 821 C ARG 1 61 -9.026 -10.163 -8.410 1.00 0.00 C ATOM 822 O ARG 1 61 -8.405 -11.218 -8.280 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.400 -7.748 -8.437 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.637 -6.639 -7.732 1.00 0.00 C ATOM 825 CD ARG 1 61 -7.473 -5.416 -8.621 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.523 -5.644 -9.708 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.783 -4.686 -10.264 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.881 -3.429 -9.845 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.945 -4.984 -11.247 1.00 0.00 N ATOM 0 H ARG 1 61 -6.945 -9.914 -6.962 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.593 -8.728 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.818 -8.089 -9.293 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -9.333 -7.342 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -8.164 -6.358 -6.820 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.655 -7.006 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -8.441 -5.141 -9.039 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -7.136 -4.573 -8.017 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.420 -6.595 -10.063 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.527 -3.191 -9.092 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.311 -2.702 -10.276 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.867 -5.946 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.378 -4.251 -11.673 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.989 -9.992 -9.304 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.398 -11.045 -10.222 1.00 0.00 C ATOM 845 C ILE 1 62 -11.431 -10.508 -11.197 1.00 0.00 C ATOM 846 O ILE 1 62 -12.373 -9.819 -10.806 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.976 -12.267 -9.482 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.551 -13.287 -10.473 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.046 -11.828 -8.500 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.536 -13.819 -11.460 1.00 0.00 C ATOM 0 H ILE 1 62 -10.508 -9.121 -9.413 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.508 -11.371 -10.761 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.166 -12.746 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -11.974 -14.123 -9.915 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.370 -12.823 -11.023 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.446 -12.701 -7.984 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.612 -11.143 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.849 -11.325 -9.038 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.017 -14.534 -12.127 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.130 -12.994 -12.045 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.728 -14.313 -10.920 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.242 -10.817 -12.468 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.153 -10.354 -13.504 1.00 0.00 C ATOM 864 C ALA 1 63 -13.597 -10.768 -13.196 1.00 0.00 C ATOM 865 O ALA 1 63 -14.281 -10.094 -12.426 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.695 -10.841 -14.873 1.00 0.00 C ATOM 0 H ALA 1 63 -10.467 -11.386 -12.809 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.135 -9.264 -13.521 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.388 -10.486 -15.636 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.697 -10.456 -15.081 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.672 -11.931 -14.883 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.062 -11.871 -13.781 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.424 -12.338 -13.531 1.00 0.00 C ATOM 874 C ARG 1 64 -15.482 -13.861 -13.459 1.00 0.00 C ATOM 875 O ARG 1 64 -15.767 -14.525 -14.453 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.366 -11.833 -14.626 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.242 -10.342 -14.895 1.00 0.00 C ATOM 878 CD ARG 1 64 -15.101 -10.042 -15.855 1.00 0.00 C ATOM 879 NE ARG 1 64 -15.581 -9.771 -17.208 1.00 0.00 N ATOM 880 CZ ARG 1 64 -14.802 -9.780 -18.287 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -13.506 -10.046 -18.176 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -15.319 -9.524 -19.480 1.00 0.00 N ATOM 0 H ARG 1 64 -13.523 -12.452 -14.424 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.743 -11.938 -12.568 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.163 -12.378 -15.548 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.394 -12.058 -14.342 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -17.177 -9.967 -15.311 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -16.077 -9.814 -13.956 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -14.538 -9.183 -15.491 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -14.414 -10.888 -15.877 1.00 0.00 H new ATOM 0 HE ARG 1 64 -16.572 -9.563 -17.333 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -13.103 -10.245 -17.260 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -12.914 -10.052 -19.006 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -16.314 -9.320 -19.571 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -14.722 -9.531 -20.307 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.226 -14.411 -12.281 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.263 -15.851 -12.120 1.00 0.00 C ATOM 898 C GLY 1 65 -13.978 -16.395 -11.538 1.00 0.00 C ATOM 899 O GLY 1 65 -13.726 -16.268 -10.340 1.00 0.00 O ATOM 0 H GLY 1 65 -14.994 -13.889 -11.436 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.096 -16.121 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.448 -16.318 -13.087 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.158 -16.996 -12.393 1.00 0.00 N ATOM 904 CA ASP 1 66 -11.884 -17.555 -11.959 1.00 0.00 C ATOM 905 C ASP 1 66 -11.153 -18.234 -13.112 1.00 0.00 C ATOM 906 O ASP 1 66 -11.342 -19.422 -13.374 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.094 -18.550 -10.815 1.00 0.00 C ATOM 908 CG ASP 1 66 -13.206 -19.539 -11.106 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -14.384 -19.126 -11.101 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.898 -20.727 -11.339 1.00 0.00 O ATOM 0 H ASP 1 66 -13.352 -17.108 -13.388 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.267 -16.730 -11.603 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.166 -19.093 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.327 -18.004 -9.901 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.311 -17.465 -13.790 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.530 -17.970 -14.915 1.00 0.00 C ATOM 917 C TRP 1 67 -8.046 -17.810 -14.629 1.00 0.00 C ATOM 918 O TRP 1 67 -7.320 -18.784 -14.429 1.00 0.00 O ATOM 919 CB TRP 1 67 -9.886 -17.215 -16.202 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.832 -16.073 -15.989 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.582 -14.896 -15.336 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.186 -16.004 -16.432 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.703 -14.110 -15.344 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.699 -14.765 -16.014 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.014 -16.871 -17.144 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.002 -14.373 -16.282 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.312 -16.482 -17.413 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.796 -15.240 -16.982 1.00 0.00 C ATOM 0 H TRP 1 67 -10.150 -16.480 -13.579 1.00 0.00 H new ATOM 0 HA TRP 1 67 -9.764 -19.026 -15.049 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -8.970 -16.837 -16.656 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.328 -17.914 -16.912 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.640 -14.627 -14.882 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.782 -13.186 -14.919 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.647 -17.830 -17.479 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.377 -13.416 -15.950 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -14.963 -17.145 -17.964 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.815 -14.962 -17.206 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.618 -16.559 -14.608 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.231 -16.212 -14.342 1.00 0.00 C ATOM 941 C ASN 1 68 -6.097 -15.675 -12.923 1.00 0.00 C ATOM 942 O ASN 1 68 -5.074 -15.865 -12.265 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.746 -15.164 -15.348 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.380 -15.334 -16.718 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.639 -14.920 -16.846 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.748 -15.832 -17.649 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.222 -15.754 -14.775 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.616 -17.106 -14.445 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.973 -14.168 -14.968 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.662 -15.230 -15.442 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.785 -16.136 -17.507 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.187 -15.941 -18.563 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.152 -15.011 -12.458 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.180 -14.448 -11.115 1.00 0.00 C ATOM 955 C ASP 1 69 -6.097 -13.397 -10.927 1.00 0.00 C ATOM 956 O ASP 1 69 -4.999 -13.514 -11.469 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.002 -15.553 -10.076 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.302 -16.264 -9.755 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.059 -15.759 -8.900 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.563 -17.325 -10.359 1.00 0.00 O ATOM 0 H ASP 1 69 -8.003 -14.850 -12.997 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.150 -13.969 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.276 -16.279 -10.443 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.591 -15.125 -9.162 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.411 -12.378 -10.137 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.461 -11.314 -9.857 1.00 0.00 C ATOM 967 C ASP 1 70 -4.654 -11.659 -8.617 1.00 0.00 C ATOM 968 O ASP 1 70 -5.221 -11.919 -7.556 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.186 -9.984 -9.660 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.242 -8.803 -9.708 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.252 -8.808 -8.948 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.490 -7.875 -10.507 1.00 0.00 O ATOM 0 H ASP 1 70 -7.316 -12.268 -9.680 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.786 -11.214 -10.707 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.947 -9.870 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.704 -9.994 -8.701 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.334 -11.692 -8.755 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.482 -12.051 -7.633 1.00 0.00 C ATOM 979 C TYR 1 71 -1.300 -11.124 -7.450 1.00 0.00 C ATOM 980 O TYR 1 71 -0.746 -10.590 -8.411 1.00 0.00 O ATOM 981 CB TYR 1 71 -1.976 -13.470 -7.815 1.00 0.00 C ATOM 982 CG TYR 1 71 -2.992 -14.491 -7.414 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.241 -14.735 -6.080 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.711 -15.194 -8.363 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.177 -15.661 -5.687 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.656 -16.123 -7.988 1.00 0.00 C ATOM 987 CZ TYR 1 71 -4.887 -16.358 -6.645 1.00 0.00 C ATOM 988 OH TYR 1 71 -5.829 -17.285 -6.263 1.00 0.00 O ATOM 0 H TYR 1 71 -2.838 -11.478 -9.620 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.096 -11.963 -6.737 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.701 -13.624 -8.859 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.071 -13.609 -7.223 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.690 -14.188 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.529 -15.012 -9.412 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.356 -15.842 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.213 -16.665 -8.738 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.237 -17.684 -7.060 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.911 -10.962 -6.192 1.00 0.00 N ATOM 999 CA CYS 1 72 0.219 -10.124 -5.841 1.00 0.00 C ATOM 1000 C CYS 1 72 1.520 -10.776 -6.285 1.00 0.00 C ATOM 1001 O CYS 1 72 1.555 -11.969 -6.590 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.250 -9.881 -4.335 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.161 -8.383 -3.857 1.00 0.00 S ATOM 0 H CYS 1 72 -1.368 -11.405 -5.395 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.111 -9.168 -6.353 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.773 -9.807 -3.966 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.703 -10.743 -3.846 1.00 0.00 H new ATOM 1008 N THR 1 73 2.585 -9.988 -6.321 1.00 0.00 N ATOM 1009 CA THR 1 73 3.889 -10.490 -6.732 1.00 0.00 C ATOM 1010 C THR 1 73 4.933 -10.285 -5.634 1.00 0.00 C ATOM 1011 O THR 1 73 6.113 -10.574 -5.828 1.00 0.00 O ATOM 1012 CB THR 1 73 4.331 -9.792 -8.017 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.819 -8.493 -7.737 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.215 -9.653 -9.030 1.00 0.00 C ATOM 0 H THR 1 73 2.572 -8.999 -6.071 1.00 0.00 H new ATOM 0 HA THR 1 73 3.801 -11.561 -6.914 1.00 0.00 H new ATOM 0 HB THR 1 73 5.111 -10.424 -8.440 1.00 0.00 H new ATOM 0 HG1 THR 1 73 4.130 -7.831 -7.955 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.592 -9.150 -9.920 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.845 -10.642 -9.302 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.403 -9.068 -8.599 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.491 -9.789 -4.479 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.400 -9.561 -3.370 1.00 0.00 C ATOM 1024 C GLY 1 74 6.563 -8.661 -3.737 1.00 0.00 C ATOM 1025 O GLY 1 74 7.618 -8.714 -3.104 1.00 0.00 O ATOM 0 H GLY 1 74 3.519 -9.541 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.850 -9.116 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.785 -10.519 -3.019 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.377 -7.832 -4.760 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.429 -6.922 -5.199 1.00 0.00 C ATOM 1031 C LYS 1 75 6.861 -5.569 -5.632 1.00 0.00 C ATOM 1032 O LYS 1 75 7.557 -4.771 -6.259 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.230 -7.553 -6.344 1.00 0.00 C ATOM 1034 CG LYS 1 75 7.542 -7.474 -7.698 1.00 0.00 C ATOM 1035 CD LYS 1 75 7.557 -8.817 -8.410 1.00 0.00 C ATOM 1036 CE LYS 1 75 7.253 -8.666 -9.892 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.411 -8.106 -10.642 1.00 0.00 N ATOM 0 H LYS 1 75 5.512 -7.772 -5.298 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.092 -6.746 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 9.199 -7.059 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 8.422 -8.599 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 6.512 -7.143 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.039 -6.727 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 8.533 -9.286 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 6.823 -9.481 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 6.986 -9.637 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 6.388 -8.015 -10.021 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 8.237 -8.191 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 8.533 -7.103 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.273 -8.632 -10.393 1.00 0.00 H new ATOM 1051 N SER 1 76 5.597 -5.314 -5.299 1.00 0.00 N ATOM 1052 CA SER 1 76 4.958 -4.054 -5.663 1.00 0.00 C ATOM 1053 C SER 1 76 3.599 -3.907 -4.986 1.00 0.00 C ATOM 1054 O SER 1 76 3.033 -4.878 -4.485 1.00 0.00 O ATOM 1055 CB SER 1 76 4.794 -3.964 -7.182 1.00 0.00 C ATOM 1056 OG SER 1 76 4.269 -5.169 -7.710 1.00 0.00 O ATOM 0 H SER 1 76 5.000 -5.959 -4.781 1.00 0.00 H new ATOM 0 HA SER 1 76 5.600 -3.242 -5.320 1.00 0.00 H new ATOM 0 HB2 SER 1 76 4.131 -3.135 -7.431 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.758 -3.751 -7.643 1.00 0.00 H new ATOM 0 HG SER 1 76 4.172 -5.086 -8.682 1.00 0.00 H new ATOM 1062 N SER 1 77 3.080 -2.682 -4.983 1.00 0.00 N ATOM 1063 CA SER 1 77 1.783 -2.395 -4.378 1.00 0.00 C ATOM 1064 C SER 1 77 0.653 -2.574 -5.390 1.00 0.00 C ATOM 1065 O SER 1 77 -0.489 -2.194 -5.131 1.00 0.00 O ATOM 1066 CB SER 1 77 1.762 -0.970 -3.818 1.00 0.00 C ATOM 1067 OG SER 1 77 1.390 -0.033 -4.814 1.00 0.00 O ATOM 0 H SER 1 77 3.540 -1.870 -5.394 1.00 0.00 H new ATOM 0 HA SER 1 77 1.628 -3.102 -3.563 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.063 -0.915 -2.984 1.00 0.00 H new ATOM 0 HB3 SER 1 77 2.747 -0.716 -3.426 1.00 0.00 H new ATOM 0 HG SER 1 77 1.383 0.868 -4.429 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.976 -3.157 -6.542 1.00 0.00 N ATOM 1074 CA ASP 1 78 -0.016 -3.386 -7.584 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.251 -4.880 -7.784 1.00 0.00 C ATOM 1076 O ASP 1 78 0.695 -5.659 -7.899 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.435 -2.747 -8.898 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.214 -1.247 -8.918 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.629 -0.573 -7.952 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 -0.375 -0.747 -9.899 1.00 0.00 O ATOM 0 H ASP 1 78 1.916 -3.478 -6.775 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.953 -2.925 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.493 -2.958 -9.057 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 -0.109 -3.203 -9.726 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.519 -5.270 -7.821 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.888 -6.668 -8.001 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.431 -6.911 -9.412 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.566 -6.545 -9.716 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.934 -7.067 -6.958 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.502 -8.568 -6.025 1.00 0.00 S ATOM 0 H CYS 1 79 -2.312 -4.635 -7.728 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.997 -7.281 -7.869 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.070 -6.242 -6.259 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.890 -7.223 -7.457 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.625 -7.530 -10.296 1.00 0.00 N ATOM 1096 CA PRO 1 80 -2.035 -7.814 -11.680 1.00 0.00 C ATOM 1097 C PRO 1 80 -3.115 -8.892 -11.767 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.078 -9.882 -11.037 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.742 -8.303 -12.338 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.067 -8.852 -11.215 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.252 -7.995 -10.023 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.474 -6.938 -12.158 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.944 -9.065 -13.091 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 -0.221 -7.489 -12.841 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.185 -9.895 -11.025 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.131 -8.818 -11.447 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.197 -8.562 -9.094 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.444 -7.161 -9.929 1.00 0.00 H new ATOM 1109 N TRP 1 81 -4.074 -8.691 -12.671 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.170 -9.650 -12.863 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.665 -10.958 -13.450 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.350 -11.979 -13.395 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.256 -9.097 -13.797 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.205 -7.619 -14.022 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.469 -6.948 -14.956 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.939 -6.634 -13.303 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.702 -5.598 -14.854 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.604 -5.382 -13.844 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.847 -6.696 -12.251 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -7.151 -4.198 -13.366 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -8.393 -5.520 -11.773 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -8.044 -4.284 -12.331 1.00 0.00 C ATOM 0 H TRP 1 81 -4.117 -7.876 -13.282 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.595 -9.825 -11.874 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.175 -9.599 -14.761 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -7.232 -9.353 -13.386 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.802 -7.410 -15.669 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.275 -4.876 -15.434 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.120 -7.646 -11.816 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -6.882 -3.244 -13.795 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -9.099 -5.555 -10.957 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -8.487 -3.381 -11.938 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.484 -10.909 -14.044 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.895 -12.080 -14.686 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.566 -12.318 -16.036 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.609 -13.443 -16.534 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.046 -13.321 -13.800 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.054 -14.411 -14.157 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.488 -15.051 -13.140 1.00 0.00 O flip ATOM 1140 ND2 ASN 1 82 -1.801 -14.676 -15.332 1.00 0.00 N flip ATOM 0 H ASN 1 82 -2.909 -10.068 -14.097 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.831 -11.895 -14.837 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.910 -13.038 -12.756 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.060 -13.711 -13.895 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.260 -14.158 -16.082 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.133 -15.413 -15.556 1.00 0.00 H new ATOM 1147 N HIS 1 83 -4.099 -11.243 -16.615 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.784 -11.313 -17.899 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.868 -10.869 -19.034 1.00 0.00 C ATOM 1150 O HIS 1 83 -4.224 -11.105 -20.208 1.00 0.00 O ATOM 1151 CB HIS 1 83 -6.041 -10.439 -17.863 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.986 -10.819 -16.767 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.158 -11.995 -16.122 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.883 -9.938 -16.202 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.144 -11.806 -15.186 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -8.564 -10.557 -15.253 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -2.802 -10.288 -18.740 1.00 0.00 O ATOM 0 H HIS 1 83 -4.067 -10.308 -16.209 1.00 0.00 H new ATOM 0 HA HIS 1 83 -5.069 -12.349 -18.082 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -5.748 -9.396 -17.738 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -6.556 -10.513 -18.821 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.650 -12.861 -16.298 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.010 -8.905 -16.489 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.516 -12.558 -14.505 1.00 0.00 H new