USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot 51:sc= 1.22 USER MOD Set 1.2: A 82 THR OG1 : rot 86:sc= 0.161! USER MOD Set 2.1: A 68 ASN : amide:sc= -2.83! C(o=-5.8!,f=-6.6!) USER MOD Set 2.2: A 78 MET CE :methyl -123:sc= -2.96! (180deg=-1.54!) USER MOD Single : A 9 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.59) USER MOD Single : A 10 SER OG : rot -33:sc= 0.585 USER MOD Single : A 13 TYR OH : rot 180:sc= -2.64! USER MOD Single : A 18 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.7!) USER MOD Single : A 21 GLN :FLIP amide:sc= -3.58! C(o=-5.1!,f=-3.6!) USER MOD Single : A 22 SER OG : rot -147:sc= -1.99! USER MOD Single : A 24 MET CE :methyl -124:sc= 0 (180deg=-0.107) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0749 K(o=-0.075,f=-0.82) USER MOD Single : A 30 ASN : amide:sc= -32.1! C(o=-32!,f=-34!) USER MOD Single : A 42 SER OG : rot -39:sc= 0.558 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0449 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 64 ASN : amide:sc= -5.69! C(o=-5.7!,f=-10!) USER MOD Single : A 72 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.045) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -93:sc= 1.26 USER MOD Single : A 85 SER OG : rot -20:sc= -6.85! USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 93 SER OG : rot -68:sc= 0.761 USER MOD Single : A 94 MET CE :methyl 163:sc= -1.88 (180deg=-2.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.865 13.799 -4.997 1.00 0.00 N ATOM 2 CA PRO A 1 4.401 13.855 -3.606 1.00 0.00 C ATOM 3 C PRO A 1 5.697 13.101 -3.429 1.00 0.00 C ATOM 4 O PRO A 1 6.367 12.721 -4.387 1.00 0.00 O ATOM 5 CB PRO A 1 3.358 13.208 -2.721 1.00 0.00 C ATOM 6 CG PRO A 1 2.129 13.399 -3.489 1.00 0.00 C ATOM 7 CD PRO A 1 2.559 13.106 -4.899 1.00 0.00 C ATOM 0 H2 PRO A 1 4.501 13.295 -5.614 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.754 14.736 -5.384 1.00 0.00 H new ATOM 0 HA PRO A 1 4.606 14.896 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.569 12.153 -2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.303 13.685 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.339 12.724 -3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.744 14.414 -3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.655 12.035 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.843 13.488 -5.627 1.00 0.00 H new ATOM 17 N ARG A 2 5.996 12.863 -2.163 1.00 0.00 N ATOM 18 CA ARG A 2 7.177 12.111 -1.755 1.00 0.00 C ATOM 19 C ARG A 2 6.691 10.850 -1.069 1.00 0.00 C ATOM 20 O ARG A 2 5.513 10.773 -0.719 1.00 0.00 O ATOM 21 CB ARG A 2 8.043 12.948 -0.806 1.00 0.00 C ATOM 22 CG ARG A 2 8.871 12.126 0.169 1.00 0.00 C ATOM 23 CD ARG A 2 10.091 11.524 -0.505 1.00 0.00 C ATOM 24 NE ARG A 2 11.313 12.245 -0.163 1.00 0.00 N ATOM 25 CZ ARG A 2 12.018 12.015 0.938 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.632 11.075 1.790 1.00 0.00 N ATOM 27 NH2 ARG A 2 13.111 12.721 1.188 1.00 0.00 N ATOM 0 H ARG A 2 5.425 13.187 -1.383 1.00 0.00 H new ATOM 0 HA ARG A 2 7.794 11.861 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.713 13.572 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.398 13.620 -0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.187 12.756 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.256 11.330 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.191 10.480 -0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.952 11.537 -1.586 1.00 0.00 H new ATOM 0 HE ARG A 2 11.643 12.965 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.793 10.528 1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.175 10.899 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.412 13.443 0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.651 12.542 2.035 1.00 0.00 H new ATOM 41 N VAL A 3 7.532 9.842 -0.884 1.00 0.00 N ATOM 42 CA VAL A 3 7.032 8.651 -0.256 1.00 0.00 C ATOM 43 C VAL A 3 8.126 7.766 0.294 1.00 0.00 C ATOM 44 O VAL A 3 9.304 7.920 -0.013 1.00 0.00 O ATOM 45 CB VAL A 3 6.139 7.913 -1.263 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.238 6.422 -1.206 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.723 8.277 -1.035 1.00 0.00 C ATOM 0 H VAL A 3 8.517 9.830 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 3 6.445 8.935 0.617 1.00 0.00 H new ATOM 0 HB VAL A 3 6.496 8.226 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.574 5.984 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.264 6.117 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.948 6.076 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.092 7.751 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.434 7.996 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.599 9.352 -1.163 1.00 0.00 H new ATOM 57 N VAL A 4 7.717 6.825 1.118 1.00 0.00 N ATOM 58 CA VAL A 4 8.664 5.905 1.707 1.00 0.00 C ATOM 59 C VAL A 4 8.041 4.558 1.973 1.00 0.00 C ATOM 60 O VAL A 4 7.246 4.392 2.885 1.00 0.00 O ATOM 61 CB VAL A 4 9.307 6.458 2.990 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.916 5.332 3.815 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.365 7.479 2.623 1.00 0.00 C ATOM 0 H VAL A 4 6.746 6.678 1.393 1.00 0.00 H new ATOM 0 HA VAL A 4 9.458 5.780 0.971 1.00 0.00 H new ATOM 0 HB VAL A 4 8.538 6.939 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.366 5.745 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.138 4.620 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.681 4.824 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.822 7.872 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.130 7.005 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.905 8.295 2.066 1.00 0.00 H new ATOM 73 N PHE A 5 8.460 3.603 1.174 1.00 0.00 N ATOM 74 CA PHE A 5 8.004 2.228 1.273 1.00 0.00 C ATOM 75 C PHE A 5 8.937 1.452 2.182 1.00 0.00 C ATOM 76 O PHE A 5 9.983 1.961 2.572 1.00 0.00 O ATOM 77 CB PHE A 5 8.083 1.565 -0.082 1.00 0.00 C ATOM 78 CG PHE A 5 7.034 1.952 -1.089 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.448 3.220 -1.136 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.667 1.022 -2.039 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.520 3.523 -2.115 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.744 1.311 -3.005 1.00 0.00 C ATOM 83 CZ PHE A 5 5.163 2.563 -3.051 1.00 0.00 C ATOM 0 H PHE A 5 9.136 3.758 0.426 1.00 0.00 H new ATOM 0 HA PHE A 5 6.983 2.232 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.062 1.783 -0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.032 0.486 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.721 3.966 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.120 0.042 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.074 4.506 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.469 0.561 -3.732 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.433 2.794 -3.813 1.00 0.00 H new ATOM 93 N ILE A 6 8.572 0.211 2.474 1.00 0.00 N ATOM 94 CA ILE A 6 9.374 -0.657 3.295 1.00 0.00 C ATOM 95 C ILE A 6 9.084 -2.116 2.990 1.00 0.00 C ATOM 96 O ILE A 6 8.055 -2.443 2.398 1.00 0.00 O ATOM 97 CB ILE A 6 9.085 -0.400 4.754 1.00 0.00 C ATOM 98 CG1 ILE A 6 9.524 1.008 5.109 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.787 -1.432 5.604 1.00 0.00 C ATOM 100 CD1 ILE A 6 8.404 2.018 5.153 1.00 0.00 C ATOM 0 H ILE A 6 7.706 -0.214 2.142 1.00 0.00 H new ATOM 0 HA ILE A 6 10.421 -0.448 3.077 1.00 0.00 H new ATOM 0 HB ILE A 6 8.015 -0.484 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.017 0.988 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.266 1.338 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.575 -1.242 6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.431 -2.427 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.862 -1.373 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.807 2.997 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.924 2.072 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.671 1.716 5.901 1.00 0.00 H new ATOM 112 N ASP A 7 9.991 -2.994 3.394 1.00 0.00 N ATOM 113 CA ASP A 7 9.816 -4.412 3.154 1.00 0.00 C ATOM 114 C ASP A 7 10.881 -5.232 3.876 1.00 0.00 C ATOM 115 O ASP A 7 11.706 -4.691 4.606 1.00 0.00 O ATOM 116 CB ASP A 7 9.844 -4.659 1.654 1.00 0.00 C ATOM 117 CG ASP A 7 9.124 -5.933 1.253 1.00 0.00 C ATOM 118 OD1 ASP A 7 8.862 -6.772 2.140 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.824 -6.092 0.050 1.00 0.00 O ATOM 0 H ASP A 7 10.850 -2.748 3.886 1.00 0.00 H new ATOM 0 HA ASP A 7 8.854 -4.732 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.386 -3.812 1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.880 -4.712 1.319 1.00 0.00 H new ATOM 124 N GLU A 8 10.847 -6.540 3.673 1.00 0.00 N ATOM 125 CA GLU A 8 11.789 -7.445 4.306 1.00 0.00 C ATOM 126 C GLU A 8 13.013 -7.686 3.426 1.00 0.00 C ATOM 127 O GLU A 8 13.930 -8.412 3.809 1.00 0.00 O ATOM 128 CB GLU A 8 11.096 -8.770 4.611 1.00 0.00 C ATOM 129 CG GLU A 8 11.604 -9.435 5.871 1.00 0.00 C ATOM 130 CD GLU A 8 11.549 -10.948 5.796 1.00 0.00 C ATOM 131 OE1 GLU A 8 10.478 -11.518 6.094 1.00 0.00 O ATOM 132 OE2 GLU A 8 12.576 -11.563 5.441 1.00 0.00 O ATOM 0 H GLU A 8 10.168 -7.001 3.067 1.00 0.00 H new ATOM 0 HA GLU A 8 12.133 -6.986 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.024 -8.598 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.236 -9.448 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.632 -9.121 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.011 -9.095 6.721 1.00 0.00 H new ATOM 139 N GLN A 9 13.023 -7.072 2.248 1.00 0.00 N ATOM 140 CA GLN A 9 14.139 -7.222 1.322 1.00 0.00 C ATOM 141 C GLN A 9 15.196 -6.156 1.582 1.00 0.00 C ATOM 142 O GLN A 9 16.394 -6.410 1.456 1.00 0.00 O ATOM 143 CB GLN A 9 13.652 -7.131 -0.126 1.00 0.00 C ATOM 144 CG GLN A 9 13.088 -8.436 -0.660 1.00 0.00 C ATOM 145 CD GLN A 9 13.992 -9.621 -0.380 1.00 0.00 C ATOM 146 OE1 GLN A 9 15.044 -9.776 -1.001 1.00 0.00 O ATOM 147 NE2 GLN A 9 13.585 -10.465 0.561 1.00 0.00 N ATOM 0 H GLN A 9 12.273 -6.467 1.913 1.00 0.00 H new ATOM 0 HA GLN A 9 14.583 -8.204 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.886 -6.358 -0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.481 -6.816 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.111 -8.615 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.934 -8.348 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.706 -10.298 1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 9 14.151 -11.281 0.794 1.00 0.00 H new ATOM 156 N SER A 10 14.743 -4.960 1.943 1.00 0.00 N ATOM 157 CA SER A 10 15.648 -3.854 2.221 1.00 0.00 C ATOM 158 C SER A 10 15.245 -3.109 3.493 1.00 0.00 C ATOM 159 O SER A 10 15.894 -2.137 3.879 1.00 0.00 O ATOM 160 CB SER A 10 15.681 -2.885 1.038 1.00 0.00 C ATOM 161 OG SER A 10 16.651 -1.872 1.235 1.00 0.00 O ATOM 0 H SER A 10 13.754 -4.733 2.050 1.00 0.00 H new ATOM 0 HA SER A 10 16.644 -4.271 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.903 -3.432 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.698 -2.431 0.908 1.00 0.00 H new ATOM 0 HG SER A 10 16.720 -1.667 2.191 1.00 0.00 H new ATOM 167 N GLY A 11 14.175 -3.566 4.145 1.00 0.00 N ATOM 168 CA GLY A 11 13.725 -2.915 5.365 1.00 0.00 C ATOM 169 C GLY A 11 13.386 -1.456 5.152 1.00 0.00 C ATOM 170 O GLY A 11 13.315 -0.677 6.103 1.00 0.00 O ATOM 0 H GLY A 11 13.617 -4.368 3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.848 -3.436 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.502 -2.997 6.125 1.00 0.00 H new ATOM 174 N GLU A 12 13.177 -1.093 3.898 1.00 0.00 N ATOM 175 CA GLU A 12 12.839 0.278 3.536 1.00 0.00 C ATOM 176 C GLU A 12 12.926 0.470 2.034 1.00 0.00 C ATOM 177 O GLU A 12 13.773 -0.120 1.363 1.00 0.00 O ATOM 178 CB GLU A 12 13.765 1.271 4.232 1.00 0.00 C ATOM 179 CG GLU A 12 13.816 2.627 3.544 1.00 0.00 C ATOM 180 CD GLU A 12 14.692 3.625 4.276 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.931 3.485 4.212 1.00 0.00 O ATOM 182 OE2 GLU A 12 14.139 4.545 4.913 1.00 0.00 O ATOM 0 H GLU A 12 13.236 -1.733 3.106 1.00 0.00 H new ATOM 0 HA GLU A 12 11.816 0.464 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.434 1.406 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.771 0.853 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.189 2.500 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.805 3.027 3.465 1.00 0.00 H new ATOM 189 N TYR A 13 12.038 1.297 1.520 1.00 0.00 N ATOM 190 CA TYR A 13 11.993 1.580 0.104 1.00 0.00 C ATOM 191 C TYR A 13 11.536 3.010 -0.151 1.00 0.00 C ATOM 192 O TYR A 13 10.513 3.254 -0.791 1.00 0.00 O ATOM 193 CB TYR A 13 11.089 0.561 -0.564 1.00 0.00 C ATOM 194 CG TYR A 13 11.752 -0.780 -0.646 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.843 -1.605 0.471 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.297 -1.214 -1.835 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.467 -2.842 0.391 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.922 -2.438 -1.932 1.00 0.00 C ATOM 199 CZ TYR A 13 13.007 -3.256 -0.817 1.00 0.00 C ATOM 200 OH TYR A 13 13.631 -4.478 -0.908 1.00 0.00 O ATOM 0 H TYR A 13 11.333 1.788 2.070 1.00 0.00 H new ATOM 0 HA TYR A 13 12.991 1.497 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.157 0.475 -0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.829 0.903 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.423 -1.279 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.233 -0.582 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.531 -3.477 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.344 -2.758 -2.873 1.00 0.00 H new ATOM 0 HH TYR A 13 13.952 -4.614 -1.824 1.00 0.00 H new ATOM 210 N ALA A 14 12.320 3.954 0.363 1.00 0.00 N ATOM 211 CA ALA A 14 12.030 5.373 0.210 1.00 0.00 C ATOM 212 C ALA A 14 11.735 5.715 -1.237 1.00 0.00 C ATOM 213 O ALA A 14 12.345 5.165 -2.154 1.00 0.00 O ATOM 214 CB ALA A 14 13.187 6.208 0.733 1.00 0.00 C ATOM 0 H ALA A 14 13.168 3.757 0.894 1.00 0.00 H new ATOM 0 HA ALA A 14 11.141 5.604 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.956 7.266 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.345 5.990 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.091 5.968 0.174 1.00 0.00 H new ATOM 220 N VAL A 15 10.778 6.612 -1.439 1.00 0.00 N ATOM 221 CA VAL A 15 10.389 7.000 -2.779 1.00 0.00 C ATOM 222 C VAL A 15 9.531 8.252 -2.783 1.00 0.00 C ATOM 223 O VAL A 15 9.601 9.090 -1.888 1.00 0.00 O ATOM 224 CB VAL A 15 9.658 5.827 -3.462 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.218 5.665 -2.977 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.717 5.948 -4.976 1.00 0.00 C ATOM 0 H VAL A 15 10.262 7.079 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 15 11.292 7.239 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 15 10.188 4.920 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.753 4.824 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.215 5.479 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.658 6.576 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.193 5.106 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.243 6.880 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.757 5.945 -5.301 1.00 0.00 H new ATOM 236 N ASP A 16 8.750 8.372 -3.819 1.00 0.00 N ATOM 237 CA ASP A 16 7.874 9.484 -4.017 1.00 0.00 C ATOM 238 C ASP A 16 6.789 9.070 -4.955 1.00 0.00 C ATOM 239 O ASP A 16 6.914 8.082 -5.669 1.00 0.00 O ATOM 240 CB ASP A 16 8.599 10.635 -4.650 1.00 0.00 C ATOM 241 CG ASP A 16 10.033 10.770 -4.176 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.814 9.815 -4.372 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.375 11.830 -3.611 1.00 0.00 O ATOM 0 H ASP A 16 8.706 7.679 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 16 7.481 9.790 -3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.591 10.510 -5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.062 11.558 -4.432 1.00 0.00 H new ATOM 248 N ALA A 17 5.728 9.814 -4.956 1.00 0.00 N ATOM 249 CA ALA A 17 4.620 9.499 -5.806 1.00 0.00 C ATOM 250 C ALA A 17 4.004 10.746 -6.414 1.00 0.00 C ATOM 251 O ALA A 17 4.496 11.854 -6.216 1.00 0.00 O ATOM 252 CB ALA A 17 3.634 8.745 -4.971 1.00 0.00 C ATOM 0 H ALA A 17 5.604 10.645 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 17 4.947 8.894 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.768 8.482 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.100 7.836 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.315 9.367 -4.135 1.00 0.00 H new ATOM 258 N GLN A 18 2.925 10.556 -7.157 1.00 0.00 N ATOM 259 CA GLN A 18 2.232 11.667 -7.796 1.00 0.00 C ATOM 260 C GLN A 18 0.723 11.503 -7.668 1.00 0.00 C ATOM 261 O GLN A 18 0.174 10.455 -8.005 1.00 0.00 O ATOM 262 CB GLN A 18 2.624 11.766 -9.270 1.00 0.00 C ATOM 263 CG GLN A 18 4.125 11.776 -9.497 1.00 0.00 C ATOM 264 CD GLN A 18 4.510 12.402 -10.822 1.00 0.00 C ATOM 265 OE1 GLN A 18 3.653 12.861 -11.577 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.805 12.426 -11.111 1.00 0.00 N ATOM 0 H GLN A 18 2.509 9.642 -7.333 1.00 0.00 H new ATOM 0 HA GLN A 18 2.527 12.587 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.188 10.926 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.194 12.675 -9.692 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.608 12.323 -8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.501 10.754 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.481 12.034 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.124 12.837 -11.988 1.00 0.00 H new ATOM 275 N ASP A 19 0.063 12.543 -7.174 1.00 0.00 N ATOM 276 CA ASP A 19 -1.387 12.511 -6.998 1.00 0.00 C ATOM 277 C ASP A 19 -2.041 11.740 -8.132 1.00 0.00 C ATOM 278 O ASP A 19 -2.060 12.186 -9.279 1.00 0.00 O ATOM 279 CB ASP A 19 -1.975 13.923 -6.908 1.00 0.00 C ATOM 280 CG ASP A 19 -0.954 14.975 -6.521 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.001 15.192 -7.298 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.108 15.583 -5.440 1.00 0.00 O ATOM 0 H ASP A 19 0.505 13.417 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.595 12.003 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.413 14.189 -7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.784 13.926 -6.178 1.00 0.00 H new ATOM 287 N GLY A 20 -2.563 10.569 -7.795 1.00 0.00 N ATOM 288 CA GLY A 20 -3.199 9.729 -8.783 1.00 0.00 C ATOM 289 C GLY A 20 -2.529 8.375 -8.888 1.00 0.00 C ATOM 290 O GLY A 20 -2.989 7.506 -9.628 1.00 0.00 O ATOM 0 H GLY A 20 -2.556 10.186 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.249 9.595 -8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.171 10.224 -9.753 1.00 0.00 H new ATOM 294 N GLN A 21 -1.441 8.186 -8.138 1.00 0.00 N ATOM 295 CA GLN A 21 -0.727 6.919 -8.155 1.00 0.00 C ATOM 296 C GLN A 21 -0.827 6.242 -6.803 1.00 0.00 C ATOM 297 O GLN A 21 -1.036 6.896 -5.785 1.00 0.00 O ATOM 298 CB GLN A 21 0.739 7.131 -8.512 1.00 0.00 C ATOM 299 CG GLN A 21 0.957 7.747 -9.882 1.00 0.00 C ATOM 300 CD GLN A 21 2.290 8.464 -9.999 1.00 0.00 C ATOM 301 OE1 GLN A 21 3.177 8.241 -9.034 1.00 0.00 O flip ATOM 302 NE2 GLN A 21 2.522 9.208 -10.952 1.00 0.00 N flip ATOM 0 H GLN A 21 -1.042 8.891 -7.518 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.185 6.282 -8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.197 7.773 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.255 6.172 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.902 6.965 -10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.151 8.451 -10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.813 9.352 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.423 9.681 -11.022 1.00 0.00 H new ATOM 311 N SER A 22 -0.689 4.928 -6.795 1.00 0.00 N ATOM 312 CA SER A 22 -0.785 4.182 -5.558 1.00 0.00 C ATOM 313 C SER A 22 0.584 3.818 -5.008 1.00 0.00 C ATOM 314 O SER A 22 1.616 4.207 -5.555 1.00 0.00 O ATOM 315 CB SER A 22 -1.610 2.913 -5.771 1.00 0.00 C ATOM 316 OG SER A 22 -1.152 2.191 -6.901 1.00 0.00 O ATOM 0 H SER A 22 -0.512 4.362 -7.625 1.00 0.00 H new ATOM 0 HA SER A 22 -1.279 4.823 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.549 2.283 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.659 3.176 -5.904 1.00 0.00 H new ATOM 0 HG SER A 22 -1.909 1.742 -7.331 1.00 0.00 H new ATOM 322 N LEU A 23 0.576 3.055 -3.921 1.00 0.00 N ATOM 323 CA LEU A 23 1.820 2.617 -3.288 1.00 0.00 C ATOM 324 C LEU A 23 2.280 1.292 -3.879 1.00 0.00 C ATOM 325 O LEU A 23 3.263 0.704 -3.430 1.00 0.00 O ATOM 326 CB LEU A 23 1.638 2.491 -1.774 1.00 0.00 C ATOM 327 CG LEU A 23 1.324 3.800 -1.040 1.00 0.00 C ATOM 328 CD1 LEU A 23 1.758 5.006 -1.863 1.00 0.00 C ATOM 329 CD2 LEU A 23 -0.160 3.881 -0.717 1.00 0.00 C ATOM 0 H LEU A 23 -0.272 2.727 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 23 2.586 3.368 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.833 1.782 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.547 2.065 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 23 1.886 3.810 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.524 5.921 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.832 4.956 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.230 5.005 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.368 4.815 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.736 3.845 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.440 3.041 -0.082 1.00 0.00 H new ATOM 341 N MET A 24 1.573 0.841 -4.910 1.00 0.00 N ATOM 342 CA MET A 24 1.917 -0.398 -5.588 1.00 0.00 C ATOM 343 C MET A 24 2.713 -0.080 -6.840 1.00 0.00 C ATOM 344 O MET A 24 3.584 -0.844 -7.253 1.00 0.00 O ATOM 345 CB MET A 24 0.656 -1.185 -5.958 1.00 0.00 C ATOM 346 CG MET A 24 -0.088 -0.624 -7.161 1.00 0.00 C ATOM 347 SD MET A 24 -0.992 -1.890 -8.070 1.00 0.00 S ATOM 348 CE MET A 24 0.333 -2.662 -8.994 1.00 0.00 C ATOM 0 H MET A 24 0.757 1.318 -5.293 1.00 0.00 H new ATOM 0 HA MET A 24 2.516 -1.012 -4.916 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.932 -2.219 -6.163 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.017 -1.199 -5.101 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.785 0.145 -6.826 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.624 -0.140 -7.830 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.099 -2.633 -10.058 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.264 -2.125 -8.812 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.443 -3.698 -8.675 1.00 0.00 H new ATOM 358 N GLU A 25 2.406 1.069 -7.433 1.00 0.00 N ATOM 359 CA GLU A 25 3.090 1.509 -8.635 1.00 0.00 C ATOM 360 C GLU A 25 4.381 2.202 -8.285 1.00 0.00 C ATOM 361 O GLU A 25 5.393 1.988 -8.950 1.00 0.00 O ATOM 362 CB GLU A 25 2.190 2.417 -9.479 1.00 0.00 C ATOM 363 CG GLU A 25 2.358 3.900 -9.182 1.00 0.00 C ATOM 364 CD GLU A 25 3.379 4.560 -10.086 1.00 0.00 C ATOM 365 OE1 GLU A 25 3.843 3.900 -11.040 1.00 0.00 O ATOM 366 OE2 GLU A 25 3.717 5.737 -9.841 1.00 0.00 O ATOM 0 H GLU A 25 1.687 1.710 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 25 3.327 0.629 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.401 2.242 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.150 2.138 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.397 4.402 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.661 4.027 -8.143 1.00 0.00 H new ATOM 373 N VAL A 26 4.388 3.007 -7.228 1.00 0.00 N ATOM 374 CA VAL A 26 5.633 3.639 -6.865 1.00 0.00 C ATOM 375 C VAL A 26 6.679 2.554 -6.789 1.00 0.00 C ATOM 376 O VAL A 26 7.690 2.575 -7.476 1.00 0.00 O ATOM 377 CB VAL A 26 5.627 4.380 -5.524 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.433 5.624 -5.688 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.255 4.733 -5.040 1.00 0.00 C ATOM 0 H VAL A 26 3.585 3.225 -6.638 1.00 0.00 H new ATOM 0 HA VAL A 26 5.829 4.397 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 26 6.050 3.714 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.448 6.175 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.453 5.362 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.989 6.245 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.329 5.255 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.766 5.378 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.669 3.823 -4.911 1.00 0.00 H new ATOM 389 N ALA A 27 6.377 1.589 -5.944 1.00 0.00 N ATOM 390 CA ALA A 27 7.231 0.438 -5.722 1.00 0.00 C ATOM 391 C ALA A 27 8.077 0.102 -6.937 1.00 0.00 C ATOM 392 O ALA A 27 9.289 0.315 -6.948 1.00 0.00 O ATOM 393 CB ALA A 27 6.391 -0.778 -5.373 1.00 0.00 C ATOM 0 H ALA A 27 5.523 1.581 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 27 7.896 0.698 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.043 -1.636 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.820 -0.578 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.706 -0.995 -6.193 1.00 0.00 H new ATOM 399 N THR A 28 7.428 -0.449 -7.953 1.00 0.00 N ATOM 400 CA THR A 28 8.128 -0.842 -9.165 1.00 0.00 C ATOM 401 C THR A 28 9.031 0.290 -9.628 1.00 0.00 C ATOM 402 O THR A 28 10.091 0.058 -10.209 1.00 0.00 O ATOM 403 CB THR A 28 7.144 -1.224 -10.277 1.00 0.00 C ATOM 404 OG1 THR A 28 7.016 -0.173 -11.216 1.00 0.00 O ATOM 405 CG2 THR A 28 5.752 -1.567 -9.786 1.00 0.00 C ATOM 0 H THR A 28 6.425 -0.633 -7.962 1.00 0.00 H new ATOM 0 HA THR A 28 8.734 -1.719 -8.940 1.00 0.00 H new ATOM 0 HB THR A 28 7.573 -2.119 -10.728 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.385 -0.437 -11.918 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.120 -1.825 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.806 -2.415 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.328 -0.708 -9.266 1.00 0.00 H new ATOM 413 N GLN A 29 8.612 1.517 -9.348 1.00 0.00 N ATOM 414 CA GLN A 29 9.398 2.691 -9.721 1.00 0.00 C ATOM 415 C GLN A 29 10.527 2.945 -8.719 1.00 0.00 C ATOM 416 O GLN A 29 11.572 3.491 -9.075 1.00 0.00 O ATOM 417 CB GLN A 29 8.506 3.929 -9.834 1.00 0.00 C ATOM 418 CG GLN A 29 7.519 3.862 -10.987 1.00 0.00 C ATOM 419 CD GLN A 29 6.775 5.167 -11.193 1.00 0.00 C ATOM 420 OE1 GLN A 29 6.865 6.082 -10.374 1.00 0.00 O ATOM 421 NE2 GLN A 29 6.035 5.258 -12.290 1.00 0.00 N ATOM 0 H GLN A 29 7.738 1.727 -8.867 1.00 0.00 H new ATOM 0 HA GLN A 29 9.845 2.491 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.955 4.057 -8.902 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.135 4.811 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.052 3.603 -11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.801 3.064 -10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.990 4.474 -12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.511 6.112 -12.482 1.00 0.00 H new ATOM 430 N ASN A 30 10.306 2.557 -7.468 1.00 0.00 N ATOM 431 CA ASN A 30 11.300 2.752 -6.408 1.00 0.00 C ATOM 432 C ASN A 30 12.267 1.572 -6.318 1.00 0.00 C ATOM 433 O ASN A 30 13.093 1.509 -5.407 1.00 0.00 O ATOM 434 CB ASN A 30 10.595 2.926 -5.059 1.00 0.00 C ATOM 435 CG ASN A 30 9.121 3.239 -5.226 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.741 3.951 -6.149 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.291 2.731 -4.332 1.00 0.00 N ATOM 0 H ASN A 30 9.446 2.104 -7.158 1.00 0.00 H new ATOM 0 HA ASN A 30 11.872 3.647 -6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.708 2.016 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.075 3.729 -4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.292 2.927 -4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.649 2.143 -3.579 1.00 0.00 H new ATOM 444 N GLY A 31 12.149 0.628 -7.247 1.00 0.00 N ATOM 445 CA GLY A 31 13.013 -0.545 -7.221 1.00 0.00 C ATOM 446 C GLY A 31 12.563 -1.541 -6.167 1.00 0.00 C ATOM 447 O GLY A 31 13.221 -2.553 -5.923 1.00 0.00 O ATOM 0 H GLY A 31 11.476 0.651 -8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.010 -1.023 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.039 -0.238 -7.019 1.00 0.00 H new ATOM 451 N VAL A 32 11.429 -1.233 -5.549 1.00 0.00 N ATOM 452 CA VAL A 32 10.834 -2.058 -4.513 1.00 0.00 C ATOM 453 C VAL A 32 10.662 -3.504 -4.999 1.00 0.00 C ATOM 454 O VAL A 32 10.737 -3.766 -6.200 1.00 0.00 O ATOM 455 CB VAL A 32 9.505 -1.401 -4.092 1.00 0.00 C ATOM 456 CG1 VAL A 32 8.935 -1.957 -2.813 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.697 0.097 -3.934 1.00 0.00 C ATOM 0 H VAL A 32 10.892 -0.391 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 32 11.485 -2.119 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 32 8.792 -1.624 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.000 -1.447 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.747 -3.024 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.645 -1.803 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.754 0.555 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.451 0.289 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.025 0.524 -4.882 1.00 0.00 H new ATOM 467 N PRO A 33 10.495 -4.477 -4.074 1.00 0.00 N ATOM 468 CA PRO A 33 10.392 -5.904 -4.426 1.00 0.00 C ATOM 469 C PRO A 33 9.190 -6.248 -5.300 1.00 0.00 C ATOM 470 O PRO A 33 8.303 -7.000 -4.897 1.00 0.00 O ATOM 471 CB PRO A 33 10.318 -6.595 -3.055 1.00 0.00 C ATOM 472 CG PRO A 33 10.949 -5.611 -2.128 1.00 0.00 C ATOM 473 CD PRO A 33 10.452 -4.296 -2.614 1.00 0.00 C ATOM 0 HA PRO A 33 11.234 -6.226 -5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.288 -6.810 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.853 -7.545 -3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.657 -5.792 -1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.037 -5.666 -2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.444 -4.083 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.086 -3.473 -2.285 1.00 0.00 H new ATOM 481 N GLY A 34 9.195 -5.709 -6.515 1.00 0.00 N ATOM 482 CA GLY A 34 8.137 -5.974 -7.469 1.00 0.00 C ATOM 483 C GLY A 34 6.767 -6.076 -6.839 1.00 0.00 C ATOM 484 O GLY A 34 6.237 -7.171 -6.660 1.00 0.00 O ATOM 0 H GLY A 34 9.925 -5.085 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.126 -5.181 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.357 -6.904 -7.994 1.00 0.00 H new ATOM 488 N ILE A 35 6.187 -4.930 -6.522 1.00 0.00 N ATOM 489 CA ILE A 35 4.855 -4.892 -5.929 1.00 0.00 C ATOM 490 C ILE A 35 3.777 -4.959 -7.010 1.00 0.00 C ATOM 491 O ILE A 35 2.794 -4.220 -6.965 1.00 0.00 O ATOM 492 CB ILE A 35 4.639 -3.618 -5.091 1.00 0.00 C ATOM 493 CG1 ILE A 35 5.795 -3.419 -4.109 1.00 0.00 C ATOM 494 CG2 ILE A 35 3.314 -3.698 -4.348 1.00 0.00 C ATOM 495 CD1 ILE A 35 5.980 -4.574 -3.148 1.00 0.00 C ATOM 0 H ILE A 35 6.614 -4.015 -6.664 1.00 0.00 H new ATOM 0 HA ILE A 35 4.778 -5.761 -5.275 1.00 0.00 H new ATOM 0 HB ILE A 35 4.611 -2.760 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.717 -3.274 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.623 -2.506 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.172 -2.792 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.500 -3.795 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.320 -4.564 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.817 -4.363 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.072 -4.706 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.184 -5.486 -3.710 1.00 0.00 H new ATOM 507 N VAL A 36 3.969 -5.848 -7.983 1.00 0.00 N ATOM 508 CA VAL A 36 3.016 -6.007 -9.078 1.00 0.00 C ATOM 509 C VAL A 36 1.973 -7.073 -8.754 1.00 0.00 C ATOM 510 O VAL A 36 2.088 -7.786 -7.756 1.00 0.00 O ATOM 511 CB VAL A 36 3.729 -6.382 -10.392 1.00 0.00 C ATOM 512 CG1 VAL A 36 4.540 -5.206 -10.914 1.00 0.00 C ATOM 513 CG2 VAL A 36 4.617 -7.603 -10.192 1.00 0.00 C ATOM 0 H VAL A 36 4.776 -6.469 -8.035 1.00 0.00 H new ATOM 0 HA VAL A 36 2.518 -5.046 -9.204 1.00 0.00 H new ATOM 0 HB VAL A 36 2.971 -6.631 -11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.036 -5.490 -11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.877 -4.361 -11.100 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.289 -4.923 -10.174 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.111 -7.851 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.368 -7.386 -9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.008 -8.447 -9.868 1.00 0.00 H new ATOM 523 N ALA A 37 0.953 -7.174 -9.601 1.00 0.00 N ATOM 524 CA ALA A 37 -0.111 -8.152 -9.405 1.00 0.00 C ATOM 525 C ALA A 37 -0.553 -8.759 -10.730 1.00 0.00 C ATOM 526 O ALA A 37 -0.060 -8.380 -11.792 1.00 0.00 O ATOM 527 CB ALA A 37 -1.296 -7.507 -8.701 1.00 0.00 C ATOM 0 H ALA A 37 0.841 -6.590 -10.430 1.00 0.00 H new ATOM 0 HA ALA A 37 0.280 -8.955 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.083 -8.248 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.979 -7.126 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.676 -6.684 -9.307 1.00 0.00 H new ATOM 533 N GLU A 38 -1.488 -9.703 -10.661 1.00 0.00 N ATOM 534 CA GLU A 38 -1.998 -10.363 -11.858 1.00 0.00 C ATOM 535 C GLU A 38 -3.240 -9.653 -12.391 1.00 0.00 C ATOM 536 O GLU A 38 -3.611 -9.825 -13.552 1.00 0.00 O ATOM 537 CB GLU A 38 -2.326 -11.828 -11.559 1.00 0.00 C ATOM 538 CG GLU A 38 -3.567 -12.014 -10.699 1.00 0.00 C ATOM 539 CD GLU A 38 -3.575 -13.343 -9.971 1.00 0.00 C ATOM 540 OE1 GLU A 38 -2.588 -14.097 -10.102 1.00 0.00 O ATOM 541 OE2 GLU A 38 -4.568 -13.632 -9.271 1.00 0.00 O ATOM 0 H GLU A 38 -1.907 -10.027 -9.789 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.221 -10.318 -12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.464 -12.360 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.474 -12.286 -11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.625 -11.205 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.455 -11.942 -11.327 1.00 0.00 H new ATOM 548 N CYS A 39 -3.879 -8.860 -11.538 1.00 0.00 N ATOM 549 CA CYS A 39 -5.080 -8.134 -11.932 1.00 0.00 C ATOM 550 C CYS A 39 -4.734 -6.740 -12.450 1.00 0.00 C ATOM 551 O CYS A 39 -5.595 -6.030 -12.970 1.00 0.00 O ATOM 552 CB CYS A 39 -6.053 -8.037 -10.753 1.00 0.00 C ATOM 553 SG CYS A 39 -5.836 -6.555 -9.713 1.00 0.00 S ATOM 0 H CYS A 39 -3.587 -8.704 -10.573 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.559 -8.686 -12.741 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.073 -8.049 -11.138 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.937 -8.923 -10.129 1.00 0.00 H new ATOM 558 N GLY A 40 -3.468 -6.355 -12.307 1.00 0.00 N ATOM 559 CA GLY A 40 -3.036 -5.049 -12.769 1.00 0.00 C ATOM 560 C GLY A 40 -4.039 -3.958 -12.448 1.00 0.00 C ATOM 561 O GLY A 40 -4.292 -3.076 -13.269 1.00 0.00 O ATOM 0 H GLY A 40 -2.736 -6.923 -11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.078 -4.804 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.874 -5.084 -13.846 1.00 0.00 H new ATOM 565 N GLY A 41 -4.612 -4.017 -11.250 1.00 0.00 N ATOM 566 CA GLY A 41 -5.585 -3.020 -10.845 1.00 0.00 C ATOM 567 C GLY A 41 -7.003 -3.406 -11.216 1.00 0.00 C ATOM 568 O GLY A 41 -7.925 -2.601 -11.090 1.00 0.00 O ATOM 0 H GLY A 41 -4.420 -4.737 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.522 -2.873 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.338 -2.066 -11.311 1.00 0.00 H new ATOM 572 N SER A 42 -7.178 -4.640 -11.678 1.00 0.00 N ATOM 573 CA SER A 42 -8.495 -5.127 -12.073 1.00 0.00 C ATOM 574 C SER A 42 -9.241 -5.724 -10.884 1.00 0.00 C ATOM 575 O SER A 42 -10.247 -6.414 -11.054 1.00 0.00 O ATOM 576 CB SER A 42 -8.362 -6.172 -13.182 1.00 0.00 C ATOM 577 OG SER A 42 -9.626 -6.481 -13.747 1.00 0.00 O ATOM 0 H SER A 42 -6.426 -5.320 -11.788 1.00 0.00 H new ATOM 0 HA SER A 42 -9.069 -4.278 -12.446 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.694 -5.799 -13.959 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.909 -7.078 -12.780 1.00 0.00 H new ATOM 0 HG SER A 42 -10.303 -6.508 -13.039 1.00 0.00 H new ATOM 583 N CYS A 43 -8.746 -5.453 -9.681 1.00 0.00 N ATOM 584 CA CYS A 43 -9.371 -5.962 -8.464 1.00 0.00 C ATOM 585 C CYS A 43 -9.707 -7.444 -8.600 1.00 0.00 C ATOM 586 O CYS A 43 -10.868 -7.840 -8.491 1.00 0.00 O ATOM 587 CB CYS A 43 -10.639 -5.168 -8.145 1.00 0.00 C ATOM 588 SG CYS A 43 -11.306 -5.473 -6.492 1.00 0.00 S ATOM 0 H CYS A 43 -7.914 -4.884 -9.522 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.660 -5.843 -7.646 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.424 -4.104 -8.248 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.403 -5.412 -8.884 1.00 0.00 H new ATOM 0 HG CYS A 43 -12.375 -4.755 -6.316 1.00 0.00 H new ATOM 594 N VAL A 44 -8.685 -8.260 -8.836 1.00 0.00 N ATOM 595 CA VAL A 44 -8.868 -9.699 -8.983 1.00 0.00 C ATOM 596 C VAL A 44 -7.687 -10.458 -8.387 1.00 0.00 C ATOM 597 O VAL A 44 -7.308 -11.522 -8.877 1.00 0.00 O ATOM 598 CB VAL A 44 -9.026 -10.102 -10.464 1.00 0.00 C ATOM 599 CG1 VAL A 44 -9.197 -11.608 -10.595 1.00 0.00 C ATOM 600 CG2 VAL A 44 -10.200 -9.373 -11.101 1.00 0.00 C ATOM 0 H VAL A 44 -7.719 -7.948 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.781 -9.960 -8.447 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.118 -9.812 -10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.307 -11.872 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.321 -12.111 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.086 -11.922 -10.048 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.292 -9.673 -12.145 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.117 -9.626 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.033 -8.297 -11.046 1.00 0.00 H new ATOM 610 N CYS A 45 -7.105 -9.906 -7.326 1.00 0.00 N ATOM 611 CA CYS A 45 -5.968 -10.540 -6.670 1.00 0.00 C ATOM 612 C CYS A 45 -5.731 -9.957 -5.280 1.00 0.00 C ATOM 613 O CYS A 45 -6.449 -9.060 -4.839 1.00 0.00 O ATOM 614 CB CYS A 45 -4.705 -10.391 -7.528 1.00 0.00 C ATOM 615 SG CYS A 45 -3.722 -8.893 -7.183 1.00 0.00 S ATOM 0 H CYS A 45 -7.401 -9.025 -6.905 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.198 -11.599 -6.556 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.074 -11.266 -7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.995 -10.385 -8.579 1.00 0.00 H new ATOM 620 N ALA A 46 -4.716 -10.477 -4.597 1.00 0.00 N ATOM 621 CA ALA A 46 -4.374 -10.015 -3.257 1.00 0.00 C ATOM 622 C ALA A 46 -2.862 -9.925 -3.080 1.00 0.00 C ATOM 623 O ALA A 46 -2.367 -9.739 -1.968 1.00 0.00 O ATOM 624 CB ALA A 46 -4.975 -10.942 -2.211 1.00 0.00 C ATOM 0 H ALA A 46 -4.115 -11.221 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.791 -9.017 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.712 -10.586 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.060 -10.955 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.584 -11.950 -2.351 1.00 0.00 H new ATOM 630 N THR A 47 -2.132 -10.057 -4.182 1.00 0.00 N ATOM 631 CA THR A 47 -0.676 -9.990 -4.148 1.00 0.00 C ATOM 632 C THR A 47 -0.200 -8.555 -3.930 1.00 0.00 C ATOM 633 O THR A 47 1.001 -8.294 -3.839 1.00 0.00 O ATOM 634 CB THR A 47 -0.094 -10.543 -5.449 1.00 0.00 C ATOM 635 OG1 THR A 47 -0.840 -10.088 -6.565 1.00 0.00 O ATOM 636 CG2 THR A 47 -0.072 -12.056 -5.496 1.00 0.00 C ATOM 0 H THR A 47 -2.525 -10.211 -5.110 1.00 0.00 H new ATOM 0 HA THR A 47 -0.326 -10.597 -3.313 1.00 0.00 H new ATOM 0 HB THR A 47 0.933 -10.179 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.451 -10.451 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.352 -12.384 -6.445 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.536 -12.437 -4.675 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.089 -12.438 -5.402 1.00 0.00 H new ATOM 644 N CYS A 48 -1.149 -7.627 -3.848 1.00 0.00 N ATOM 645 CA CYS A 48 -0.834 -6.220 -3.640 1.00 0.00 C ATOM 646 C CYS A 48 -0.943 -5.850 -2.167 1.00 0.00 C ATOM 647 O CYS A 48 -1.130 -4.681 -1.826 1.00 0.00 O ATOM 648 CB CYS A 48 -1.787 -5.345 -4.450 1.00 0.00 C ATOM 649 SG CYS A 48 -3.542 -5.774 -4.225 1.00 0.00 S ATOM 0 H CYS A 48 -2.146 -7.827 -3.923 1.00 0.00 H new ATOM 0 HA CYS A 48 0.191 -6.052 -3.970 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.638 -4.303 -4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.534 -5.429 -5.507 1.00 0.00 H new ATOM 654 N ARG A 49 -0.837 -6.848 -1.299 1.00 0.00 N ATOM 655 CA ARG A 49 -0.933 -6.622 0.138 1.00 0.00 C ATOM 656 C ARG A 49 0.044 -5.544 0.592 1.00 0.00 C ATOM 657 O ARG A 49 1.125 -5.844 1.097 1.00 0.00 O ATOM 658 CB ARG A 49 -0.669 -7.922 0.902 1.00 0.00 C ATOM 659 CG ARG A 49 -1.340 -7.974 2.265 1.00 0.00 C ATOM 660 CD ARG A 49 -2.855 -8.020 2.140 1.00 0.00 C ATOM 661 NE ARG A 49 -3.519 -7.326 3.241 1.00 0.00 N ATOM 662 CZ ARG A 49 -4.808 -7.003 3.236 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.564 -7.307 2.190 1.00 0.00 N ATOM 664 NH2 ARG A 49 -5.341 -6.376 4.275 1.00 0.00 N ATOM 0 H ARG A 49 -0.685 -7.821 -1.564 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.945 -6.280 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.017 -8.763 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.406 -8.046 1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.992 -8.852 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.049 -7.101 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.154 -7.568 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.185 -9.059 2.115 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.963 -7.076 4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.156 -7.789 1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.553 -7.059 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.762 -6.140 5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.331 -6.129 4.269 1.00 0.00 H new ATOM 678 N ILE A 50 -0.349 -4.287 0.419 1.00 0.00 N ATOM 679 CA ILE A 50 0.485 -3.164 0.821 1.00 0.00 C ATOM 680 C ILE A 50 0.094 -2.692 2.213 1.00 0.00 C ATOM 681 O ILE A 50 -1.055 -2.842 2.625 1.00 0.00 O ATOM 682 CB ILE A 50 0.367 -1.988 -0.170 1.00 0.00 C ATOM 683 CG1 ILE A 50 1.068 -2.333 -1.485 1.00 0.00 C ATOM 684 CG2 ILE A 50 0.952 -0.719 0.433 1.00 0.00 C ATOM 685 CD1 ILE A 50 2.556 -2.060 -1.465 1.00 0.00 C ATOM 0 H ILE A 50 -1.241 -4.021 0.002 1.00 0.00 H new ATOM 0 HA ILE A 50 1.519 -3.508 0.825 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.689 -1.811 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.903 -3.387 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.612 -1.759 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.859 0.099 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.412 -0.467 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.004 -0.879 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.988 -2.328 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.729 -1.001 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.024 -2.654 -0.680 1.00 0.00 H new ATOM 697 N GLU A 51 1.051 -2.138 2.943 1.00 0.00 N ATOM 698 CA GLU A 51 0.778 -1.671 4.294 1.00 0.00 C ATOM 699 C GLU A 51 1.270 -0.246 4.525 1.00 0.00 C ATOM 700 O GLU A 51 2.470 0.000 4.621 1.00 0.00 O ATOM 701 CB GLU A 51 1.427 -2.609 5.314 1.00 0.00 C ATOM 702 CG GLU A 51 0.463 -3.626 5.905 1.00 0.00 C ATOM 703 CD GLU A 51 1.121 -4.519 6.938 1.00 0.00 C ATOM 704 OE1 GLU A 51 2.308 -4.287 7.254 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.451 -5.449 7.432 1.00 0.00 O ATOM 0 H GLU A 51 2.012 -2.002 2.628 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.304 -1.672 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.252 -3.138 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.855 -2.014 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.376 -3.103 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.055 -4.242 5.104 1.00 0.00 H new ATOM 712 N ILE A 52 0.328 0.682 4.652 1.00 0.00 N ATOM 713 CA ILE A 52 0.652 2.074 4.918 1.00 0.00 C ATOM 714 C ILE A 52 1.230 2.175 6.318 1.00 0.00 C ATOM 715 O ILE A 52 0.706 1.547 7.238 1.00 0.00 O ATOM 716 CB ILE A 52 -0.620 2.949 4.844 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.144 3.003 3.418 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.355 4.355 5.360 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.338 3.917 2.535 1.00 0.00 C ATOM 0 H ILE A 52 -0.671 0.491 4.574 1.00 0.00 H new ATOM 0 HA ILE A 52 1.368 2.424 4.174 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.376 2.493 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.138 1.998 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.181 3.338 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.269 4.945 5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.028 4.306 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.423 4.823 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.758 3.915 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.365 4.929 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.694 3.569 2.497 1.00 0.00 H new ATOM 731 N GLU A 53 2.297 2.948 6.518 1.00 0.00 N ATOM 732 CA GLU A 53 2.836 3.031 7.884 1.00 0.00 C ATOM 733 C GLU A 53 1.702 3.426 8.842 1.00 0.00 C ATOM 734 O GLU A 53 0.571 3.631 8.405 1.00 0.00 O ATOM 735 CB GLU A 53 4.010 4.008 7.984 1.00 0.00 C ATOM 736 CG GLU A 53 3.588 5.429 7.823 1.00 0.00 C ATOM 737 CD GLU A 53 2.558 5.572 6.725 1.00 0.00 C ATOM 738 OE1 GLU A 53 1.419 5.140 6.945 1.00 0.00 O ATOM 739 OE2 GLU A 53 2.880 6.150 5.667 1.00 0.00 O ATOM 0 H GLU A 53 2.783 3.495 5.807 1.00 0.00 H new ATOM 0 HA GLU A 53 3.229 2.054 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.499 3.885 8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.748 3.763 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.176 5.797 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.457 6.045 7.593 1.00 0.00 H new ATOM 746 N ASP A 54 1.978 3.504 10.141 1.00 0.00 N ATOM 747 CA ASP A 54 0.930 3.856 11.107 1.00 0.00 C ATOM 748 C ASP A 54 0.871 5.354 11.357 1.00 0.00 C ATOM 749 O ASP A 54 0.385 5.809 12.392 1.00 0.00 O ATOM 750 CB ASP A 54 1.134 3.111 12.427 1.00 0.00 C ATOM 751 CG ASP A 54 -0.008 2.165 12.739 1.00 0.00 C ATOM 752 OD1 ASP A 54 -1.162 2.634 12.818 1.00 0.00 O ATOM 753 OD2 ASP A 54 0.252 0.955 12.906 1.00 0.00 O ATOM 0 H ASP A 54 2.898 3.333 10.548 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.022 3.551 10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.067 2.548 12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.235 3.833 13.237 1.00 0.00 H new ATOM 758 N ALA A 55 1.358 6.108 10.395 1.00 0.00 N ATOM 759 CA ALA A 55 1.365 7.558 10.471 1.00 0.00 C ATOM 760 C ALA A 55 0.444 8.145 9.428 1.00 0.00 C ATOM 761 O ALA A 55 -0.037 9.270 9.556 1.00 0.00 O ATOM 762 CB ALA A 55 2.771 8.081 10.233 1.00 0.00 C ATOM 0 H ALA A 55 1.761 5.735 9.536 1.00 0.00 H new ATOM 0 HA ALA A 55 1.022 7.851 11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.769 9.169 10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.442 7.678 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.112 7.771 9.245 1.00 0.00 H new ATOM 768 N TRP A 56 0.280 7.396 8.354 1.00 0.00 N ATOM 769 CA TRP A 56 -0.492 7.848 7.217 1.00 0.00 C ATOM 770 C TRP A 56 -1.776 7.105 6.986 1.00 0.00 C ATOM 771 O TRP A 56 -2.450 7.342 5.990 1.00 0.00 O ATOM 772 CB TRP A 56 0.381 7.712 6.010 1.00 0.00 C ATOM 773 CG TRP A 56 1.620 8.494 6.185 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.612 8.244 7.084 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.983 9.673 5.494 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.594 9.170 6.976 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.239 10.067 6.003 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.382 10.432 4.479 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.905 11.184 5.534 1.00 0.00 C ATOM 780 CZ3 TRP A 56 2.054 11.545 4.012 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.303 11.911 4.537 1.00 0.00 C ATOM 0 H TRP A 56 0.677 6.462 8.247 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.792 8.877 7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.625 6.663 5.845 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.154 8.057 5.125 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.615 7.422 7.785 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.453 9.195 7.526 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.420 10.154 4.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.864 11.474 5.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.611 12.143 3.230 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.803 12.786 4.147 1.00 0.00 H new ATOM 792 N VAL A 57 -2.145 6.232 7.879 1.00 0.00 N ATOM 793 CA VAL A 57 -3.382 5.530 7.698 1.00 0.00 C ATOM 794 C VAL A 57 -4.518 6.503 7.849 1.00 0.00 C ATOM 795 O VAL A 57 -5.515 6.450 7.130 1.00 0.00 O ATOM 796 CB VAL A 57 -3.526 4.415 8.704 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.805 3.666 8.443 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.307 3.543 8.603 1.00 0.00 C ATOM 0 H VAL A 57 -1.621 5.993 8.721 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.395 5.087 6.702 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.590 4.796 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.910 2.860 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.651 4.348 8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.782 3.247 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.383 2.726 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.234 3.135 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.418 4.134 8.820 1.00 0.00 H new ATOM 808 N GLU A 58 -4.320 7.430 8.765 1.00 0.00 N ATOM 809 CA GLU A 58 -5.291 8.476 8.994 1.00 0.00 C ATOM 810 C GLU A 58 -5.098 9.560 7.941 1.00 0.00 C ATOM 811 O GLU A 58 -5.863 10.521 7.867 1.00 0.00 O ATOM 812 CB GLU A 58 -5.141 9.065 10.399 1.00 0.00 C ATOM 813 CG GLU A 58 -5.688 8.170 11.499 1.00 0.00 C ATOM 814 CD GLU A 58 -6.794 8.836 12.296 1.00 0.00 C ATOM 815 OE1 GLU A 58 -7.817 9.214 11.688 1.00 0.00 O ATOM 816 OE2 GLU A 58 -6.637 8.979 13.526 1.00 0.00 O ATOM 0 H GLU A 58 -3.494 7.478 9.362 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.295 8.059 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.086 9.258 10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.653 10.026 10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.067 7.248 11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.877 7.891 12.172 1.00 0.00 H new ATOM 823 N ILE A 59 -4.065 9.376 7.116 1.00 0.00 N ATOM 824 CA ILE A 59 -3.758 10.318 6.043 1.00 0.00 C ATOM 825 C ILE A 59 -4.185 9.746 4.709 1.00 0.00 C ATOM 826 O ILE A 59 -4.585 10.465 3.793 1.00 0.00 O ATOM 827 CB ILE A 59 -2.246 10.604 5.951 1.00 0.00 C ATOM 828 CG1 ILE A 59 -1.822 11.584 7.024 1.00 0.00 C ATOM 829 CG2 ILE A 59 -1.868 11.152 4.578 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.421 11.349 7.506 1.00 0.00 C ATOM 0 H ILE A 59 -3.428 8.582 7.172 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.295 11.239 6.270 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.724 9.659 6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.902 12.599 6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.508 11.511 7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.795 11.343 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.130 10.424 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.408 12.081 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.173 12.081 8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.343 10.345 7.923 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.273 11.450 6.671 1.00 0.00 H new ATOM 842 N VAL A 60 -4.031 8.441 4.607 1.00 0.00 N ATOM 843 CA VAL A 60 -4.324 7.728 3.389 1.00 0.00 C ATOM 844 C VAL A 60 -5.747 7.232 3.331 1.00 0.00 C ATOM 845 O VAL A 60 -6.486 7.536 2.394 1.00 0.00 O ATOM 846 CB VAL A 60 -3.379 6.529 3.251 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.785 5.651 2.072 1.00 0.00 C ATOM 848 CG2 VAL A 60 -1.936 7.008 3.134 1.00 0.00 C ATOM 0 H VAL A 60 -3.699 7.849 5.368 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.182 8.433 2.570 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.454 5.914 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.100 4.807 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.799 5.282 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.746 6.236 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.274 6.148 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.834 7.646 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.667 7.574 4.026 1.00 0.00 H new ATOM 858 N GLY A 61 -6.119 6.426 4.306 1.00 0.00 N ATOM 859 CA GLY A 61 -7.448 5.865 4.286 1.00 0.00 C ATOM 860 C GLY A 61 -7.664 5.189 2.955 1.00 0.00 C ATOM 861 O GLY A 61 -8.494 5.611 2.152 1.00 0.00 O ATOM 0 H GLY A 61 -5.537 6.153 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.569 5.148 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.191 6.647 4.438 1.00 0.00 H new ATOM 865 N GLU A 62 -6.853 4.165 2.718 1.00 0.00 N ATOM 866 CA GLU A 62 -6.857 3.415 1.471 1.00 0.00 C ATOM 867 C GLU A 62 -8.270 3.003 1.039 1.00 0.00 C ATOM 868 O GLU A 62 -9.134 3.856 0.837 1.00 0.00 O ATOM 869 CB GLU A 62 -5.942 2.195 1.629 1.00 0.00 C ATOM 870 CG GLU A 62 -4.466 2.554 1.690 1.00 0.00 C ATOM 871 CD GLU A 62 -3.561 1.369 1.418 1.00 0.00 C ATOM 872 OE1 GLU A 62 -3.379 0.539 2.332 1.00 0.00 O ATOM 873 OE2 GLU A 62 -3.032 1.272 0.290 1.00 0.00 O ATOM 0 H GLU A 62 -6.167 3.830 3.394 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.480 4.058 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.216 1.659 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.109 1.514 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.257 3.339 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.237 2.962 2.674 1.00 0.00 H new ATOM 880 N ALA A 63 -8.511 1.699 0.890 1.00 0.00 N ATOM 881 CA ALA A 63 -9.816 1.230 0.483 1.00 0.00 C ATOM 882 C ALA A 63 -10.855 1.390 1.583 1.00 0.00 C ATOM 883 O ALA A 63 -10.527 1.526 2.761 1.00 0.00 O ATOM 884 CB ALA A 63 -9.765 -0.216 0.013 1.00 0.00 C ATOM 0 H ALA A 63 -7.821 0.964 1.046 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.121 1.857 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.763 -0.537 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.088 -0.299 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.408 -0.850 0.825 1.00 0.00 H new ATOM 890 N ASN A 64 -12.115 1.369 1.168 1.00 0.00 N ATOM 891 CA ASN A 64 -13.236 1.505 2.059 1.00 0.00 C ATOM 892 C ASN A 64 -13.648 0.136 2.600 1.00 0.00 C ATOM 893 O ASN A 64 -12.986 -0.872 2.358 1.00 0.00 O ATOM 894 CB ASN A 64 -14.382 2.160 1.282 1.00 0.00 C ATOM 895 CG ASN A 64 -15.153 1.161 0.444 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.562 0.369 -0.289 1.00 0.00 O ATOM 897 ND2 ASN A 64 -16.476 1.196 0.544 1.00 0.00 N ATOM 0 H ASN A 64 -12.379 1.255 0.189 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.972 2.127 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.062 2.645 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.980 2.940 0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.046 0.548 -0.000 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.923 1.870 1.165 1.00 0.00 H new ATOM 904 N PRO A 65 -14.750 0.102 3.346 1.00 0.00 N ATOM 905 CA PRO A 65 -15.290 -1.118 3.954 1.00 0.00 C ATOM 906 C PRO A 65 -15.801 -2.132 2.929 1.00 0.00 C ATOM 907 O PRO A 65 -16.323 -3.184 3.304 1.00 0.00 O ATOM 908 CB PRO A 65 -16.455 -0.614 4.817 1.00 0.00 C ATOM 909 CG PRO A 65 -16.281 0.866 4.907 1.00 0.00 C ATOM 910 CD PRO A 65 -15.548 1.275 3.663 1.00 0.00 C ATOM 0 HA PRO A 65 -14.518 -1.648 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.414 -0.869 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.436 -1.071 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.246 1.369 4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.717 1.139 5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.235 1.525 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.924 2.152 3.833 1.00 0.00 H new ATOM 918 N ASP A 66 -15.650 -1.829 1.641 1.00 0.00 N ATOM 919 CA ASP A 66 -16.101 -2.742 0.595 1.00 0.00 C ATOM 920 C ASP A 66 -14.998 -3.730 0.248 1.00 0.00 C ATOM 921 O ASP A 66 -15.260 -4.902 -0.022 1.00 0.00 O ATOM 922 CB ASP A 66 -16.532 -1.970 -0.652 1.00 0.00 C ATOM 923 CG ASP A 66 -18.036 -1.809 -0.741 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.727 -2.139 0.246 1.00 0.00 O ATOM 925 OD2 ASP A 66 -18.523 -1.356 -1.797 1.00 0.00 O ATOM 0 H ASP A 66 -15.223 -0.968 1.300 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.963 -3.293 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.064 -0.986 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.172 -2.489 -1.540 1.00 0.00 H new ATOM 930 N GLU A 67 -13.759 -3.251 0.273 1.00 0.00 N ATOM 931 CA GLU A 67 -12.611 -4.097 -0.023 1.00 0.00 C ATOM 932 C GLU A 67 -12.150 -4.812 1.243 1.00 0.00 C ATOM 933 O GLU A 67 -11.790 -5.989 1.211 1.00 0.00 O ATOM 934 CB GLU A 67 -11.466 -3.263 -0.603 1.00 0.00 C ATOM 935 CG GLU A 67 -10.100 -3.913 -0.450 1.00 0.00 C ATOM 936 CD GLU A 67 -9.474 -3.647 0.905 1.00 0.00 C ATOM 937 OE1 GLU A 67 -9.709 -2.554 1.463 1.00 0.00 O ATOM 938 OE2 GLU A 67 -8.751 -4.530 1.409 1.00 0.00 O ATOM 0 H GLU A 67 -13.525 -2.283 0.495 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.907 -4.840 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.658 -3.085 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.453 -2.289 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.196 -4.989 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.436 -3.543 -1.231 1.00 0.00 H new ATOM 945 N ASN A 68 -12.178 -4.090 2.357 1.00 0.00 N ATOM 946 CA ASN A 68 -11.778 -4.644 3.643 1.00 0.00 C ATOM 947 C ASN A 68 -12.780 -5.696 4.106 1.00 0.00 C ATOM 948 O ASN A 68 -12.434 -6.616 4.847 1.00 0.00 O ATOM 949 CB ASN A 68 -11.666 -3.531 4.688 1.00 0.00 C ATOM 950 CG ASN A 68 -11.049 -4.013 5.986 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.867 -3.787 6.244 1.00 0.00 O ATOM 952 ND2 ASN A 68 -11.847 -4.680 6.811 1.00 0.00 N ATOM 0 H ASN A 68 -12.475 -3.115 2.394 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.803 -5.118 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.064 -2.717 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.657 -3.125 4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.486 -5.028 7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.821 -4.845 6.557 1.00 0.00 H new ATOM 959 N ASP A 69 -14.024 -5.556 3.659 1.00 0.00 N ATOM 960 CA ASP A 69 -15.077 -6.496 4.020 1.00 0.00 C ATOM 961 C ASP A 69 -15.033 -7.723 3.115 1.00 0.00 C ATOM 962 O ASP A 69 -15.343 -8.835 3.543 1.00 0.00 O ATOM 963 CB ASP A 69 -16.449 -5.826 3.926 1.00 0.00 C ATOM 964 CG ASP A 69 -17.573 -6.750 4.353 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.299 -7.944 4.594 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.726 -6.280 4.447 1.00 0.00 O ATOM 0 H ASP A 69 -14.327 -4.799 3.046 1.00 0.00 H new ATOM 0 HA ASP A 69 -14.911 -6.814 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.458 -4.933 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.621 -5.498 2.901 1.00 0.00 H new ATOM 971 N LEU A 70 -14.638 -7.510 1.863 1.00 0.00 N ATOM 972 CA LEU A 70 -14.546 -8.597 0.896 1.00 0.00 C ATOM 973 C LEU A 70 -13.324 -9.465 1.180 1.00 0.00 C ATOM 974 O LEU A 70 -13.284 -10.638 0.809 1.00 0.00 O ATOM 975 CB LEU A 70 -14.476 -8.039 -0.529 1.00 0.00 C ATOM 976 CG LEU A 70 -13.064 -7.829 -1.077 1.00 0.00 C ATOM 977 CD1 LEU A 70 -12.513 -9.129 -1.642 1.00 0.00 C ATOM 978 CD2 LEU A 70 -13.061 -6.741 -2.142 1.00 0.00 C ATOM 0 H LEU A 70 -14.377 -6.595 1.495 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.440 -9.214 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.010 -8.718 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.004 -7.086 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.421 -7.510 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.507 -8.961 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.479 -9.882 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.158 -9.477 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.048 -6.605 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.719 -7.032 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.414 -5.806 -1.708 1.00 0.00 H new ATOM 990 N LEU A 71 -12.332 -8.880 1.843 1.00 0.00 N ATOM 991 CA LEU A 71 -11.108 -9.598 2.181 1.00 0.00 C ATOM 992 C LEU A 71 -11.270 -10.346 3.500 1.00 0.00 C ATOM 993 O LEU A 71 -10.775 -11.463 3.657 1.00 0.00 O ATOM 994 CB LEU A 71 -9.931 -8.625 2.273 1.00 0.00 C ATOM 995 CG LEU A 71 -8.722 -8.986 1.409 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.327 -10.440 1.621 1.00 0.00 C ATOM 997 CD2 LEU A 71 -9.021 -8.723 -0.060 1.00 0.00 C ATOM 0 H LEU A 71 -12.352 -7.910 2.157 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.908 -10.323 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.278 -7.632 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.610 -8.565 3.313 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.884 -8.356 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.465 -10.677 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.072 -10.599 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.161 -11.087 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.150 -8.985 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.873 -9.328 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.254 -7.668 -0.201 1.00 0.00 H new ATOM 1009 N GLN A 72 -11.965 -9.723 4.446 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.194 -10.330 5.753 1.00 0.00 C ATOM 1011 C GLN A 72 -13.026 -11.600 5.621 1.00 0.00 C ATOM 1012 O GLN A 72 -12.895 -12.528 6.419 1.00 0.00 O ATOM 1013 CB GLN A 72 -12.898 -9.339 6.683 1.00 0.00 C ATOM 1014 CG GLN A 72 -11.943 -8.431 7.438 1.00 0.00 C ATOM 1015 CD GLN A 72 -11.807 -8.813 8.900 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -12.606 -8.397 9.739 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -10.789 -9.606 9.211 1.00 0.00 N ATOM 0 H GLN A 72 -12.380 -8.798 4.332 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.226 -10.592 6.180 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.582 -8.726 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.503 -9.894 7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.962 -8.467 6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -12.294 -7.401 7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.151 -9.927 8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.644 -9.895 10.179 1.00 0.00 H new ATOM 1026 N SER A 73 -13.883 -11.633 4.605 1.00 0.00 N ATOM 1027 CA SER A 73 -14.738 -12.788 4.363 1.00 0.00 C ATOM 1028 C SER A 73 -13.916 -14.072 4.310 1.00 0.00 C ATOM 1029 O SER A 73 -14.442 -15.167 4.506 1.00 0.00 O ATOM 1030 CB SER A 73 -15.511 -12.608 3.056 1.00 0.00 C ATOM 1031 OG SER A 73 -16.304 -13.748 2.772 1.00 0.00 O ATOM 0 H SER A 73 -14.003 -10.872 3.936 1.00 0.00 H new ATOM 0 HA SER A 73 -15.446 -12.866 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.148 -11.726 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.812 -12.434 2.238 1.00 0.00 H new ATOM 0 HG SER A 73 -16.790 -13.608 1.932 1.00 0.00 H new ATOM 1037 N THR A 74 -12.622 -13.927 4.046 1.00 0.00 N ATOM 1038 CA THR A 74 -11.722 -15.073 3.968 1.00 0.00 C ATOM 1039 C THR A 74 -11.489 -15.676 5.348 1.00 0.00 C ATOM 1040 O THR A 74 -11.447 -16.897 5.505 1.00 0.00 O ATOM 1041 CB THR A 74 -10.387 -14.656 3.350 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.666 -13.814 4.234 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.540 -13.919 2.037 1.00 0.00 C ATOM 0 H THR A 74 -12.172 -13.026 3.882 1.00 0.00 H new ATOM 0 HA THR A 74 -12.189 -15.828 3.335 1.00 0.00 H new ATOM 0 HB THR A 74 -9.851 -15.587 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.869 -12.877 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.556 -13.652 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.049 -14.560 1.317 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.126 -13.013 2.194 1.00 0.00 H new ATOM 1051 N GLY A 75 -11.336 -14.813 6.346 1.00 0.00 N ATOM 1052 CA GLY A 75 -11.107 -15.279 7.701 1.00 0.00 C ATOM 1053 C GLY A 75 -9.694 -15.000 8.178 1.00 0.00 C ATOM 1054 O GLY A 75 -9.204 -15.652 9.100 1.00 0.00 O ATOM 0 H GLY A 75 -11.366 -13.799 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.816 -14.796 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.299 -16.351 7.751 1.00 0.00 H new ATOM 1058 N GLU A 76 -9.039 -14.029 7.547 1.00 0.00 N ATOM 1059 CA GLU A 76 -7.674 -13.666 7.912 1.00 0.00 C ATOM 1060 C GLU A 76 -7.621 -12.249 8.477 1.00 0.00 C ATOM 1061 O GLU A 76 -7.803 -11.271 7.751 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.752 -13.778 6.697 1.00 0.00 C ATOM 1063 CG GLU A 76 -6.431 -15.211 6.307 1.00 0.00 C ATOM 1064 CD GLU A 76 -5.550 -15.300 5.077 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -5.618 -14.384 4.230 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -4.791 -16.285 4.960 1.00 0.00 O ATOM 0 H GLU A 76 -9.431 -13.481 6.782 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.334 -14.358 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.219 -13.276 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.822 -13.250 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.935 -15.707 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.360 -15.750 6.123 1.00 0.00 H new ATOM 1073 N PRO A 77 -7.373 -12.126 9.790 1.00 0.00 N ATOM 1074 CA PRO A 77 -7.298 -10.826 10.468 1.00 0.00 C ATOM 1075 C PRO A 77 -6.328 -9.865 9.789 1.00 0.00 C ATOM 1076 O PRO A 77 -5.447 -10.283 9.037 1.00 0.00 O ATOM 1077 CB PRO A 77 -6.799 -11.188 11.868 1.00 0.00 C ATOM 1078 CG PRO A 77 -7.240 -12.596 12.068 1.00 0.00 C ATOM 1079 CD PRO A 77 -7.150 -13.248 10.717 1.00 0.00 C ATOM 0 HA PRO A 77 -8.257 -10.308 10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.715 -11.098 11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.224 -10.528 12.624 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.604 -13.106 12.792 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.258 -12.636 12.455 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.178 -13.715 10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.902 -14.028 10.595 1.00 0.00 H new ATOM 1087 N MET A 78 -6.500 -8.575 10.057 1.00 0.00 N ATOM 1088 CA MET A 78 -5.643 -7.550 9.472 1.00 0.00 C ATOM 1089 C MET A 78 -5.149 -6.574 10.536 1.00 0.00 C ATOM 1090 O MET A 78 -5.377 -6.773 11.729 1.00 0.00 O ATOM 1091 CB MET A 78 -6.402 -6.792 8.381 1.00 0.00 C ATOM 1092 CG MET A 78 -7.366 -7.665 7.594 1.00 0.00 C ATOM 1093 SD MET A 78 -8.722 -6.726 6.867 1.00 0.00 S ATOM 1094 CE MET A 78 -9.485 -6.036 8.333 1.00 0.00 C ATOM 0 H MET A 78 -7.226 -8.214 10.676 1.00 0.00 H new ATOM 0 HA MET A 78 -4.776 -8.043 9.032 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.957 -5.973 8.838 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.684 -6.346 7.693 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.820 -8.179 6.803 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.773 -8.433 8.251 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.533 -6.332 8.371 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.970 -6.406 9.220 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.416 -4.949 8.301 1.00 0.00 H new ATOM 1104 N THR A 79 -4.474 -5.517 10.095 1.00 0.00 N ATOM 1105 CA THR A 79 -3.950 -4.506 11.008 1.00 0.00 C ATOM 1106 C THR A 79 -4.346 -3.105 10.551 1.00 0.00 C ATOM 1107 O THR A 79 -5.084 -2.944 9.579 1.00 0.00 O ATOM 1108 CB THR A 79 -2.425 -4.609 11.101 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.872 -5.008 9.860 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.954 -5.593 12.151 1.00 0.00 C ATOM 0 H THR A 79 -4.277 -5.338 9.110 1.00 0.00 H new ATOM 0 HA THR A 79 -4.380 -4.686 11.993 1.00 0.00 H new ATOM 0 HB THR A 79 -2.086 -3.612 11.382 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.222 -4.435 9.146 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.864 -5.617 12.164 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.322 -5.285 13.130 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.336 -6.586 11.916 1.00 0.00 H new ATOM 1118 N ALA A 80 -3.849 -2.095 11.257 1.00 0.00 N ATOM 1119 CA ALA A 80 -4.150 -0.709 10.920 1.00 0.00 C ATOM 1120 C ALA A 80 -3.320 -0.243 9.731 1.00 0.00 C ATOM 1121 O ALA A 80 -2.092 -0.322 9.749 1.00 0.00 O ATOM 1122 CB ALA A 80 -3.906 0.192 12.121 1.00 0.00 C ATOM 0 H ALA A 80 -3.237 -2.210 12.065 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.202 -0.648 10.643 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.135 1.224 11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.546 -0.120 12.946 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.862 0.119 12.424 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.998 0.243 8.699 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.306 0.714 7.515 1.00 0.00 C ATOM 1130 C GLY A 81 -3.119 -0.376 6.478 1.00 0.00 C ATOM 1131 O GLY A 81 -2.591 -0.126 5.394 1.00 0.00 O ATOM 0 H GLY A 81 -5.014 0.319 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.867 1.538 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.331 1.109 7.801 1.00 0.00 H new ATOM 1135 N THR A 82 -3.551 -1.588 6.810 1.00 0.00 N ATOM 1136 CA THR A 82 -3.429 -2.721 5.900 1.00 0.00 C ATOM 1137 C THR A 82 -4.504 -2.671 4.816 1.00 0.00 C ATOM 1138 O THR A 82 -5.694 -2.810 5.104 1.00 0.00 O ATOM 1139 CB THR A 82 -3.530 -4.034 6.678 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.346 -3.810 8.064 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.516 -5.068 6.244 1.00 0.00 C ATOM 0 H THR A 82 -3.989 -1.811 7.704 1.00 0.00 H new ATOM 0 HA THR A 82 -2.454 -2.665 5.417 1.00 0.00 H new ATOM 0 HB THR A 82 -4.528 -4.417 6.467 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.204 -3.571 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.644 -5.974 6.836 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.662 -5.301 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.510 -4.676 6.393 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.078 -2.471 3.572 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.006 -2.400 2.448 1.00 0.00 C ATOM 1151 C ARG A 83 -4.254 -2.407 1.120 1.00 0.00 C ATOM 1152 O ARG A 83 -3.133 -1.906 1.032 1.00 0.00 O ATOM 1153 CB ARG A 83 -5.859 -1.132 2.544 1.00 0.00 C ATOM 1154 CG ARG A 83 -7.006 -1.234 3.534 1.00 0.00 C ATOM 1155 CD ARG A 83 -8.210 -0.432 3.066 1.00 0.00 C ATOM 1156 NE ARG A 83 -8.131 0.968 3.479 1.00 0.00 N ATOM 1157 CZ ARG A 83 -8.212 1.359 4.746 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -8.338 0.458 5.710 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -8.162 2.648 5.054 1.00 0.00 N ATOM 0 H ARG A 83 -3.097 -2.355 3.317 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.653 -3.277 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.219 -0.297 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.263 -0.902 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.289 -2.279 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.681 -0.872 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.281 -0.486 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.120 -0.877 3.467 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.008 1.680 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.373 -0.535 5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.400 0.758 6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.061 3.345 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.225 2.942 6.029 1.00 0.00 H new ATOM 1173 N LEU A 84 -4.880 -2.961 0.086 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.262 -3.007 -1.234 1.00 0.00 C ATOM 1175 C LEU A 84 -4.000 -1.591 -1.735 1.00 0.00 C ATOM 1176 O LEU A 84 -4.770 -0.673 -1.451 1.00 0.00 O ATOM 1177 CB LEU A 84 -5.152 -3.764 -2.222 1.00 0.00 C ATOM 1178 CG LEU A 84 -6.624 -3.353 -2.222 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -6.866 -2.233 -3.222 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -7.509 -4.550 -2.537 1.00 0.00 C ATOM 0 H LEU A 84 -5.808 -3.381 0.136 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.313 -3.537 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.753 -3.624 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.089 -4.829 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.880 -2.986 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.920 -1.954 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.258 -1.369 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.594 -2.573 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.554 -4.241 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.251 -4.945 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.357 -5.323 -1.784 1.00 0.00 H new ATOM 1192 N SER A 85 -2.903 -1.412 -2.459 1.00 0.00 N ATOM 1193 CA SER A 85 -2.534 -0.097 -2.968 1.00 0.00 C ATOM 1194 C SER A 85 -3.079 0.153 -4.374 1.00 0.00 C ATOM 1195 O SER A 85 -3.361 1.294 -4.741 1.00 0.00 O ATOM 1196 CB SER A 85 -1.012 0.052 -2.963 1.00 0.00 C ATOM 1197 OG SER A 85 -0.522 0.217 -1.643 1.00 0.00 O ATOM 0 H SER A 85 -2.254 -2.159 -2.707 1.00 0.00 H new ATOM 0 HA SER A 85 -2.982 0.647 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.555 -0.828 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.725 0.910 -3.571 1.00 0.00 H new ATOM 0 HG SER A 85 -1.251 0.513 -1.058 1.00 0.00 H new ATOM 1203 N CYS A 86 -3.221 -0.909 -5.161 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.722 -0.779 -6.529 1.00 0.00 C ATOM 1205 C CYS A 86 -4.968 0.099 -6.590 1.00 0.00 C ATOM 1206 O CYS A 86 -5.302 0.637 -7.646 1.00 0.00 O ATOM 1207 CB CYS A 86 -4.027 -2.153 -7.132 1.00 0.00 C ATOM 1208 SG CYS A 86 -5.333 -3.089 -6.272 1.00 0.00 S ATOM 0 H CYS A 86 -2.999 -1.864 -4.880 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.937 -0.300 -7.114 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.320 -2.021 -8.174 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.113 -2.746 -7.131 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.658 0.240 -5.464 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.867 1.050 -5.419 1.00 0.00 C ATOM 1215 C GLN A 87 -6.678 2.298 -4.560 1.00 0.00 C ATOM 1216 O GLN A 87 -7.645 2.995 -4.254 1.00 0.00 O ATOM 1217 CB GLN A 87 -8.038 0.226 -4.882 1.00 0.00 C ATOM 1218 CG GLN A 87 -9.393 0.707 -5.375 1.00 0.00 C ATOM 1219 CD GLN A 87 -10.505 -0.279 -5.076 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -10.444 -1.442 -5.474 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -11.531 0.184 -4.369 1.00 0.00 N ATOM 0 H GLN A 87 -5.403 -0.193 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.084 1.371 -6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.903 -0.816 -5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.025 0.257 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.626 1.664 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.344 0.879 -6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.540 1.156 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.309 -0.433 -4.136 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.438 2.580 -4.165 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.162 3.737 -3.346 1.00 0.00 C ATOM 1232 C VAL A 88 -4.238 4.693 -4.072 1.00 0.00 C ATOM 1233 O VAL A 88 -3.076 4.378 -4.274 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.501 3.306 -2.040 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.041 4.524 -1.280 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.449 2.441 -1.221 1.00 0.00 C ATOM 0 H VAL A 88 -4.619 2.021 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.106 4.239 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.624 2.696 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.569 4.214 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.323 5.079 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.898 5.160 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.960 2.143 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.351 3.008 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.715 1.552 -1.792 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.757 5.841 -4.499 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.950 6.798 -5.251 1.00 0.00 C ATOM 1248 C PHE A 89 -3.622 8.074 -4.485 1.00 0.00 C ATOM 1249 O PHE A 89 -4.422 8.591 -3.705 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.663 7.138 -6.554 1.00 0.00 C ATOM 1251 CG PHE A 89 -5.101 5.909 -7.286 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.503 4.696 -6.994 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -6.102 5.957 -8.245 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -4.892 3.537 -7.647 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -6.501 4.802 -8.905 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.895 3.591 -8.605 1.00 0.00 C ATOM 0 H PHE A 89 -5.722 6.130 -4.340 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.992 6.316 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.531 7.763 -6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.998 7.722 -7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.723 4.652 -6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.574 6.899 -8.480 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.417 2.596 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.281 4.847 -9.650 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.203 2.691 -9.116 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.413 8.561 -4.745 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.875 9.768 -4.147 1.00 0.00 C ATOM 1268 C ILE A 90 -2.779 10.983 -4.357 1.00 0.00 C ATOM 1269 O ILE A 90 -3.609 11.016 -5.266 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.488 10.041 -4.761 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.486 8.950 -4.343 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.065 11.385 -4.345 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.275 9.321 -3.106 1.00 0.00 C ATOM 0 H ILE A 90 -1.767 8.112 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.804 9.609 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.609 10.047 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.064 8.028 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.175 8.749 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.043 11.533 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.612 12.174 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.163 11.418 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.955 8.508 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.849 10.227 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.590 9.495 -2.276 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.592 11.979 -3.497 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.334 13.216 -3.519 1.00 0.00 C ATOM 1287 C ASP A 91 -2.638 14.151 -2.537 1.00 0.00 C ATOM 1288 O ASP A 91 -1.852 13.686 -1.713 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.799 12.957 -3.130 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.095 13.270 -1.675 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -4.467 12.645 -0.797 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.953 14.140 -1.417 1.00 0.00 O ATOM 0 H ASP A 91 -1.900 11.938 -2.749 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.354 13.665 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.449 13.560 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.041 11.913 -3.327 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.885 15.460 -2.583 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.243 16.418 -1.666 1.00 0.00 C ATOM 1299 C PRO A 92 -2.635 16.184 -0.201 1.00 0.00 C ATOM 1300 O PRO A 92 -2.743 17.123 0.588 1.00 0.00 O ATOM 1301 CB PRO A 92 -2.747 17.780 -2.166 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.244 17.518 -3.551 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.786 16.119 -3.523 1.00 0.00 C ATOM 0 HA PRO A 92 -1.157 16.328 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.541 18.167 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.948 18.522 -2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.017 18.233 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.440 17.613 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.821 16.090 -3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.760 15.652 -4.508 1.00 0.00 H new ATOM 1311 N SER A 93 -2.842 14.916 0.140 1.00 0.00 N ATOM 1312 CA SER A 93 -3.219 14.495 1.477 1.00 0.00 C ATOM 1313 C SER A 93 -2.255 13.412 1.962 1.00 0.00 C ATOM 1314 O SER A 93 -1.991 13.278 3.156 1.00 0.00 O ATOM 1315 CB SER A 93 -4.631 13.916 1.432 1.00 0.00 C ATOM 1316 OG SER A 93 -4.601 12.500 1.509 1.00 0.00 O ATOM 0 H SER A 93 -2.750 14.143 -0.519 1.00 0.00 H new ATOM 0 HA SER A 93 -3.182 15.348 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.219 14.317 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.125 14.224 0.510 1.00 0.00 H new ATOM 0 HG SER A 93 -4.210 12.136 0.688 1.00 0.00 H new ATOM 1322 N MET A 94 -1.748 12.642 1.001 1.00 0.00 N ATOM 1323 CA MET A 94 -0.826 11.553 1.247 1.00 0.00 C ATOM 1324 C MET A 94 0.498 11.851 0.570 1.00 0.00 C ATOM 1325 O MET A 94 1.064 11.003 -0.117 1.00 0.00 O ATOM 1326 CB MET A 94 -1.411 10.266 0.667 1.00 0.00 C ATOM 1327 CG MET A 94 -2.670 9.794 1.369 1.00 0.00 C ATOM 1328 SD MET A 94 -3.918 9.197 0.214 1.00 0.00 S ATOM 1329 CE MET A 94 -3.017 7.890 -0.617 1.00 0.00 C ATOM 0 H MET A 94 -1.975 12.766 0.014 1.00 0.00 H new ATOM 0 HA MET A 94 -0.668 11.438 2.319 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.632 10.422 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.659 9.479 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.416 8.998 2.069 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.085 10.614 1.956 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.719 7.235 -1.133 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.328 8.326 -1.341 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.455 7.312 0.117 1.00 0.00 H new ATOM 1339 N ASP A 95 0.980 13.067 0.753 1.00 0.00 N ATOM 1340 CA ASP A 95 2.208 13.486 0.156 1.00 0.00 C ATOM 1341 C ASP A 95 3.347 13.188 1.103 1.00 0.00 C ATOM 1342 O ASP A 95 3.297 13.558 2.275 1.00 0.00 O ATOM 1343 CB ASP A 95 2.147 14.979 -0.195 1.00 0.00 C ATOM 1344 CG ASP A 95 0.732 15.523 -0.224 1.00 0.00 C ATOM 1345 OD1 ASP A 95 -0.200 14.745 -0.504 1.00 0.00 O ATOM 1346 OD2 ASP A 95 0.557 16.734 0.030 1.00 0.00 O ATOM 0 H ASP A 95 0.523 13.781 1.320 1.00 0.00 H new ATOM 0 HA ASP A 95 2.374 12.938 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.732 15.542 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.611 15.137 -1.168 1.00 0.00 H new ATOM 1351 N GLY A 96 4.346 12.472 0.620 1.00 0.00 N ATOM 1352 CA GLY A 96 5.427 12.099 1.493 1.00 0.00 C ATOM 1353 C GLY A 96 4.971 10.968 2.377 1.00 0.00 C ATOM 1354 O GLY A 96 5.434 10.827 3.508 1.00 0.00 O ATOM 0 H GLY A 96 4.426 12.148 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.295 11.795 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.733 12.951 2.099 1.00 0.00 H new ATOM 1358 N LEU A 97 4.019 10.175 1.865 1.00 0.00 N ATOM 1359 CA LEU A 97 3.471 9.077 2.639 1.00 0.00 C ATOM 1360 C LEU A 97 4.435 7.920 2.727 1.00 0.00 C ATOM 1361 O LEU A 97 5.359 7.790 1.926 1.00 0.00 O ATOM 1362 CB LEU A 97 2.060 8.649 2.160 1.00 0.00 C ATOM 1363 CG LEU A 97 1.926 7.730 0.929 1.00 0.00 C ATOM 1364 CD1 LEU A 97 2.044 8.527 -0.356 1.00 0.00 C ATOM 1365 CD2 LEU A 97 2.921 6.576 0.949 1.00 0.00 C ATOM 0 H LEU A 97 3.624 10.279 0.930 1.00 0.00 H new ATOM 0 HA LEU A 97 3.333 9.448 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.568 8.151 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.495 9.558 1.953 1.00 0.00 H new ATOM 0 HG LEU A 97 0.931 7.287 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.946 7.857 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.255 9.278 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.016 9.020 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.783 5.961 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.937 6.971 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.756 5.969 1.839 1.00 0.00 H new ATOM 1377 N ILE A 98 4.235 7.109 3.743 1.00 0.00 N ATOM 1378 CA ILE A 98 5.109 5.984 3.994 1.00 0.00 C ATOM 1379 C ILE A 98 4.402 4.658 3.801 1.00 0.00 C ATOM 1380 O ILE A 98 3.260 4.477 4.217 1.00 0.00 O ATOM 1381 CB ILE A 98 5.701 6.052 5.402 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.482 7.344 5.569 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.562 4.847 5.712 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.589 8.540 5.434 1.00 0.00 C ATOM 0 H ILE A 98 3.471 7.209 4.411 1.00 0.00 H new ATOM 0 HA ILE A 98 5.915 6.047 3.263 1.00 0.00 H new ATOM 0 HB ILE A 98 4.879 6.040 6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.965 7.356 6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.274 7.392 4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.962 4.936 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.960 3.941 5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.385 4.794 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.177 9.449 5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.127 8.539 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.813 8.503 6.198 1.00 0.00 H new ATOM 1396 N VAL A 99 5.078 3.730 3.157 1.00 0.00 N ATOM 1397 CA VAL A 99 4.496 2.439 2.917 1.00 0.00 C ATOM 1398 C VAL A 99 5.363 1.289 3.413 1.00 0.00 C ATOM 1399 O VAL A 99 6.582 1.401 3.496 1.00 0.00 O ATOM 1400 CB VAL A 99 4.186 2.225 1.449 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.883 1.485 1.351 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.133 3.544 0.689 1.00 0.00 C ATOM 0 H VAL A 99 6.024 3.850 2.795 1.00 0.00 H new ATOM 0 HA VAL A 99 3.569 2.436 3.490 1.00 0.00 H new ATOM 0 HB VAL A 99 4.981 1.639 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.637 1.318 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.970 0.525 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.094 2.074 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.908 3.351 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.356 4.179 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.096 4.048 0.767 1.00 0.00 H new ATOM 1412 N ARG A 100 4.710 0.176 3.735 1.00 0.00 N ATOM 1413 CA ARG A 100 5.399 -1.014 4.216 1.00 0.00 C ATOM 1414 C ARG A 100 4.902 -2.251 3.479 1.00 0.00 C ATOM 1415 O ARG A 100 3.883 -2.204 2.790 1.00 0.00 O ATOM 1416 CB ARG A 100 5.184 -1.186 5.722 1.00 0.00 C ATOM 1417 CG ARG A 100 5.646 0.002 6.548 1.00 0.00 C ATOM 1418 CD ARG A 100 5.410 -0.228 8.034 1.00 0.00 C ATOM 1419 NE ARG A 100 6.128 0.740 8.857 1.00 0.00 N ATOM 1420 CZ ARG A 100 7.443 0.717 9.041 1.00 0.00 C ATOM 1421 NH1 ARG A 100 8.177 -0.229 8.471 1.00 0.00 N ATOM 1422 NH2 ARG A 100 8.028 1.638 9.795 1.00 0.00 N ATOM 0 H ARG A 100 3.697 0.075 3.670 1.00 0.00 H new ATOM 0 HA ARG A 100 6.465 -0.892 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.124 -1.357 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.716 -2.077 6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.707 0.180 6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.114 0.898 6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.343 -0.163 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.727 -1.236 8.300 1.00 0.00 H new ATOM 0 HE ARG A 100 5.590 1.475 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.732 -0.940 7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.187 -0.246 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.468 2.367 10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.038 1.617 9.934 1.00 0.00 H new ATOM 1436 N VAL A 101 5.623 -3.355 3.624 1.00 0.00 N ATOM 1437 CA VAL A 101 5.247 -4.598 2.968 1.00 0.00 C ATOM 1438 C VAL A 101 5.054 -5.721 3.982 1.00 0.00 C ATOM 1439 O VAL A 101 5.988 -6.101 4.686 1.00 0.00 O ATOM 1440 CB VAL A 101 6.305 -5.028 1.936 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.907 -6.336 1.269 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.510 -3.933 0.900 1.00 0.00 C ATOM 0 H VAL A 101 6.470 -3.414 4.189 1.00 0.00 H new ATOM 0 HA VAL A 101 4.303 -4.412 2.455 1.00 0.00 H new ATOM 0 HB VAL A 101 7.249 -5.190 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.669 -6.621 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.815 -7.116 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.951 -6.209 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.261 -4.252 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.569 -3.739 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.847 -3.022 1.395 1.00 0.00 H new ATOM 1452 N PRO A 102 3.832 -6.267 4.063 1.00 0.00 N ATOM 1453 CA PRO A 102 3.507 -7.355 4.989 1.00 0.00 C ATOM 1454 C PRO A 102 4.066 -8.692 4.523 1.00 0.00 C ATOM 1455 O PRO A 102 4.724 -8.776 3.486 1.00 0.00 O ATOM 1456 CB PRO A 102 1.980 -7.378 4.967 1.00 0.00 C ATOM 1457 CG PRO A 102 1.629 -6.899 3.603 1.00 0.00 C ATOM 1458 CD PRO A 102 2.667 -5.868 3.251 1.00 0.00 C ATOM 0 HA PRO A 102 3.934 -7.198 5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.594 -8.381 5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.561 -6.731 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.635 -7.720 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.628 -6.468 3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.897 -5.877 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.332 -4.860 3.496 1.00 0.00 H new ATOM 1466 N LEU A 103 3.800 -9.738 5.294 1.00 0.00 N ATOM 1467 CA LEU A 103 4.275 -11.074 4.957 1.00 0.00 C ATOM 1468 C LEU A 103 3.805 -12.095 5.990 1.00 0.00 C ATOM 1469 O LEU A 103 3.509 -11.746 7.133 1.00 0.00 O ATOM 1470 CB LEU A 103 5.801 -11.084 4.858 1.00 0.00 C ATOM 1471 CG LEU A 103 6.355 -11.017 3.432 1.00 0.00 C ATOM 1472 CD1 LEU A 103 7.435 -9.955 3.327 1.00 0.00 C ATOM 1473 CD2 LEU A 103 6.897 -12.372 3.007 1.00 0.00 C ATOM 0 H LEU A 103 3.258 -9.688 6.157 1.00 0.00 H new ATOM 0 HA LEU A 103 3.857 -11.351 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.193 -10.239 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.176 -11.989 5.336 1.00 0.00 H new ATOM 0 HG LEU A 103 5.541 -10.745 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.816 -9.923 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.016 -8.983 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.249 -10.195 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.287 -12.306 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.697 -12.672 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.097 -13.111 3.041 1.00 0.00 H new ATOM 1485 N PRO A 104 3.726 -13.374 5.593 1.00 0.00 N ATOM 1486 CA PRO A 104 3.284 -14.455 6.479 1.00 0.00 C ATOM 1487 C PRO A 104 4.268 -14.709 7.612 1.00 0.00 C ATOM 1488 O PRO A 104 4.891 -15.768 7.684 1.00 0.00 O ATOM 1489 CB PRO A 104 3.201 -15.681 5.556 1.00 0.00 C ATOM 1490 CG PRO A 104 3.262 -15.138 4.166 1.00 0.00 C ATOM 1491 CD PRO A 104 4.055 -13.867 4.251 1.00 0.00 C ATOM 0 HA PRO A 104 2.339 -14.215 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.024 -16.371 5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.277 -16.235 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.737 -15.849 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 104 2.262 -14.948 3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.124 -14.048 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.767 -13.157 3.476 1.00 0.00 H new ATOM 1499 N ALA A 105 4.402 -13.729 8.497 1.00 0.00 N ATOM 1500 CA ALA A 105 5.309 -13.842 9.632 1.00 0.00 C ATOM 1501 C ALA A 105 4.748 -13.122 10.853 1.00 0.00 C ATOM 1502 O ALA A 105 5.345 -13.253 11.941 1.00 0.00 O ATOM 1503 CB ALA A 105 6.678 -13.286 9.274 1.00 0.00 C ATOM 1504 OXT ALA A 105 3.717 -12.432 10.711 1.00 0.00 O ATOM 0 H ALA A 105 3.893 -12.846 8.450 1.00 0.00 H new ATOM 0 HA ALA A 105 5.413 -14.899 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.344 -13.378 10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.090 -13.845 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.583 -12.236 8.999 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -4.817 -7.101 -7.843 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -4.660 -5.165 -6.008 1.00 0.00 FE HETATM 1513 S1 FES A 106 -6.298 -6.606 -6.288 1.00 0.00 S HETATM 1514 S2 FES A 106 -3.282 -5.534 -7.679 1.00 0.00 S