USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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 109 THR OG1 : rot 99:sc= 0.762 USER MOD Set 1.2: A 114 HIS : no HD1:sc= -15.7! C(o=-15!,f=-17!) USER MOD Set 2.1: A 7 GLN : amide:sc= 1.06 K(o=1.6,f=-2.7!) USER MOD Set 2.2: A 81 SER OG : rot 99:sc= 0.538 USER MOD Set 3.1: A 12 HIS : no HE2:sc= -9.59! C(o=-11!,f=-10!) USER MOD Set 3.2: A 72 SER OG : rot -76:sc= -1.59! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 100:sc= -5.59! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -7.01! C(o=-7!,f=-7.9!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 32:sc= 0.0302 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.9) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.534 (180deg=-2.39!) USER MOD Single : A 48 SER OG : rot 51:sc= 1.31 USER MOD Single : A 55 SER OG : rot 153:sc= 0.959 USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.178) USER MOD Single : A 59 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.045) USER MOD Single : A 65 THR OG1 : rot 81:sc= -3.8! USER MOD Single : A 68 SER OG : rot -71:sc= -3.99! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.685 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.461 K(o=-0.46,f=-3.8!) USER MOD Single : A 87 MET CE :methyl -162:sc= -16! (180deg=-17.8!) USER MOD Single : A 88 GLN : amide:sc= -4.23! C(o=-4.2!,f=-4.5!) USER MOD Single : A 89 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0101) USER MOD Single : A 95 THR OG1 : rot -102:sc= -1.57! USER MOD Single : A 96 TYR OH : rot 80:sc= -0.47 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 118:sc= -3.35! USER MOD Single : A 111 SER OG : rot -147:sc= 0.988 USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= -0.289 (180deg=-0.611) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0211 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.099 6.263 3.135 1.00 0.00 N ATOM 93 CA GLN A 7 16.619 6.436 3.129 1.00 0.00 C ATOM 94 C GLN A 7 15.944 5.143 2.674 1.00 0.00 C ATOM 95 O GLN A 7 16.588 4.136 2.461 1.00 0.00 O ATOM 96 CB GLN A 7 16.346 7.561 2.131 1.00 0.00 C ATOM 97 CG GLN A 7 15.154 8.389 2.614 1.00 0.00 C ATOM 98 CD GLN A 7 15.375 9.857 2.248 1.00 0.00 C ATOM 99 OE1 GLN A 7 15.043 10.282 1.158 1.00 0.00 O ATOM 100 NE2 GLN A 7 15.926 10.656 3.120 1.00 0.00 N ATOM 0 HA GLN A 7 16.229 6.673 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.227 8.195 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.139 7.145 1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.234 8.023 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.038 8.285 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.204 10.299 4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.078 11.637 2.888 1.00 0.00 H new ATOM 109 N VAL A 8 14.651 5.159 2.532 1.00 0.00 N ATOM 110 CA VAL A 8 13.942 3.924 2.097 1.00 0.00 C ATOM 111 C VAL A 8 12.930 4.246 0.993 1.00 0.00 C ATOM 112 O VAL A 8 11.785 4.550 1.261 1.00 0.00 O ATOM 113 CB VAL A 8 13.228 3.421 3.354 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.587 4.599 4.087 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.141 2.423 2.959 1.00 0.00 C ATOM 0 H VAL A 8 14.055 5.970 2.697 1.00 0.00 H new ATOM 0 HA VAL A 8 14.624 3.179 1.686 1.00 0.00 H new ATOM 0 HB VAL A 8 13.952 2.935 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.079 4.238 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.359 5.314 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.865 5.086 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.633 2.065 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.420 2.911 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.593 1.580 2.437 1.00 0.00 H new ATOM 125 N LYS A 9 13.337 4.173 -0.246 1.00 0.00 N ATOM 126 CA LYS A 9 12.382 4.466 -1.352 1.00 0.00 C ATOM 127 C LYS A 9 11.385 3.315 -1.486 1.00 0.00 C ATOM 128 O LYS A 9 11.620 2.227 -0.998 1.00 0.00 O ATOM 129 CB LYS A 9 13.230 4.584 -2.617 1.00 0.00 C ATOM 130 CG LYS A 9 14.129 5.822 -2.514 1.00 0.00 C ATOM 131 CD LYS A 9 14.081 6.674 -3.802 1.00 0.00 C ATOM 132 CE LYS A 9 13.781 5.817 -5.037 1.00 0.00 C ATOM 133 NZ LYS A 9 14.772 6.253 -6.059 1.00 0.00 N ATOM 0 H LYS A 9 14.282 3.925 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 9 11.813 5.378 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.838 3.689 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.587 4.660 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.816 6.429 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.156 5.511 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.318 7.445 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.034 7.185 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.885 4.755 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.760 5.972 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.629 5.710 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.645 7.266 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.735 6.087 -5.702 1.00 0.00 H new ATOM 147 N ALA A 10 10.274 3.533 -2.139 1.00 0.00 N ATOM 148 CA ALA A 10 9.282 2.419 -2.280 1.00 0.00 C ATOM 149 C ALA A 10 7.960 2.907 -2.869 1.00 0.00 C ATOM 150 O ALA A 10 7.707 4.090 -2.979 1.00 0.00 O ATOM 151 CB ALA A 10 9.035 1.929 -0.854 1.00 0.00 C ATOM 0 H ALA A 10 10.010 4.417 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 10 9.662 1.646 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.316 1.110 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.973 1.581 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.639 2.747 -0.252 1.00 0.00 H new ATOM 157 N SER A 11 7.101 1.985 -3.213 1.00 0.00 N ATOM 158 CA SER A 11 5.769 2.361 -3.758 1.00 0.00 C ATOM 159 C SER A 11 4.691 1.822 -2.821 1.00 0.00 C ATOM 160 O SER A 11 4.999 1.195 -1.827 1.00 0.00 O ATOM 161 CB SER A 11 5.678 1.685 -5.122 1.00 0.00 C ATOM 162 OG SER A 11 5.160 0.375 -4.951 1.00 0.00 O ATOM 0 H SER A 11 7.268 0.982 -3.138 1.00 0.00 H new ATOM 0 HA SER A 11 5.636 3.439 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.034 2.261 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.662 1.643 -5.589 1.00 0.00 H new ATOM 0 HG SER A 11 4.205 0.369 -5.172 1.00 0.00 H new ATOM 168 N HIS A 12 3.436 2.045 -3.103 1.00 0.00 N ATOM 169 CA HIS A 12 2.401 1.514 -2.164 1.00 0.00 C ATOM 170 C HIS A 12 0.979 1.636 -2.737 1.00 0.00 C ATOM 171 O HIS A 12 0.667 2.549 -3.476 1.00 0.00 O ATOM 172 CB HIS A 12 2.539 2.387 -0.915 1.00 0.00 C ATOM 173 CG HIS A 12 1.939 3.743 -1.171 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.166 4.399 -0.225 1.00 0.00 N ATOM 175 CD2 HIS A 12 1.996 4.582 -2.256 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.793 5.578 -0.754 1.00 0.00 C ATOM 177 NE2 HIS A 12 1.271 5.741 -1.991 1.00 0.00 N ATOM 0 H HIS A 12 3.088 2.555 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 12 2.551 0.452 -1.969 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.039 1.912 -0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.590 2.489 -0.646 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.924 4.051 0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.523 4.375 -3.176 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.181 6.305 -0.241 1.00 0.00 H new ATOM 185 N ILE A 13 0.113 0.732 -2.360 1.00 0.00 N ATOM 186 CA ILE A 13 -1.309 0.781 -2.823 1.00 0.00 C ATOM 187 C ILE A 13 -2.213 0.596 -1.600 1.00 0.00 C ATOM 188 O ILE A 13 -1.801 0.024 -0.620 1.00 0.00 O ATOM 189 CB ILE A 13 -1.469 -0.393 -3.803 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.036 0.059 -5.205 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.937 -0.846 -3.833 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.671 -0.843 -6.270 1.00 0.00 C ATOM 0 H ILE A 13 0.332 -0.050 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.572 1.722 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.846 -1.227 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.334 1.094 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.050 0.023 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.047 -1.678 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.240 -1.164 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.567 -0.017 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.357 -0.513 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.351 -1.873 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.757 -0.785 -6.196 1.00 0.00 H new ATOM 204 N LEU A 14 -3.432 1.067 -1.635 1.00 0.00 N ATOM 205 CA LEU A 14 -4.312 0.891 -0.437 1.00 0.00 C ATOM 206 C LEU A 14 -5.631 0.210 -0.803 1.00 0.00 C ATOM 207 O LEU A 14 -6.286 0.566 -1.761 1.00 0.00 O ATOM 208 CB LEU A 14 -4.586 2.299 0.091 1.00 0.00 C ATOM 209 CG LEU A 14 -5.648 2.224 1.197 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.983 2.415 2.560 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.698 3.317 0.979 1.00 0.00 C ATOM 0 H LEU A 14 -3.853 1.557 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.827 0.257 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.668 2.740 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.931 2.943 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.133 1.248 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.738 2.362 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.242 1.631 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.494 3.389 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.450 3.261 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.217 4.295 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.176 3.175 0.010 1.00 0.00 H new ATOM 223 N ILE A 15 -6.034 -0.750 -0.012 1.00 0.00 N ATOM 224 CA ILE A 15 -7.325 -1.450 -0.268 1.00 0.00 C ATOM 225 C ILE A 15 -8.365 -0.983 0.757 1.00 0.00 C ATOM 226 O ILE A 15 -8.039 -0.693 1.891 1.00 0.00 O ATOM 227 CB ILE A 15 -7.016 -2.936 -0.086 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.089 -3.408 -1.211 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.318 -3.737 -0.132 1.00 0.00 C ATOM 230 CD1 ILE A 15 -6.032 -4.937 -1.222 1.00 0.00 C ATOM 0 H ILE A 15 -5.520 -1.080 0.805 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.728 -1.245 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.527 -3.089 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.450 -3.041 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.089 -2.998 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.098 -4.797 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.979 -3.403 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.806 -3.583 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.372 -5.271 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.651 -5.294 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.033 -5.337 -1.386 1.00 0.00 H new ATOM 242 N LYS A 16 -9.608 -0.897 0.372 1.00 0.00 N ATOM 243 CA LYS A 16 -10.654 -0.436 1.332 1.00 0.00 C ATOM 244 C LYS A 16 -10.970 -1.534 2.356 1.00 0.00 C ATOM 245 O LYS A 16 -11.155 -2.685 2.012 1.00 0.00 O ATOM 246 CB LYS A 16 -11.877 -0.131 0.465 1.00 0.00 C ATOM 247 CG LYS A 16 -12.427 -1.429 -0.127 1.00 0.00 C ATOM 248 CD LYS A 16 -13.346 -1.103 -1.306 1.00 0.00 C ATOM 249 CE LYS A 16 -14.802 -1.344 -0.901 1.00 0.00 C ATOM 250 NZ LYS A 16 -15.584 -1.157 -2.154 1.00 0.00 N ATOM 0 H LYS A 16 -9.946 -1.125 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.333 0.434 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.644 0.361 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.605 0.558 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.607 -2.067 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.976 -1.984 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.209 -0.066 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.089 -1.724 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.939 -2.347 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.119 -0.643 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.594 -1.306 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.439 -0.192 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.265 -1.843 -2.868 1.00 0.00 H new ATOM 264 N HIS A 17 -11.037 -1.180 3.613 1.00 0.00 N ATOM 265 CA HIS A 17 -11.346 -2.195 4.666 1.00 0.00 C ATOM 266 C HIS A 17 -12.054 -1.527 5.853 1.00 0.00 C ATOM 267 O HIS A 17 -12.492 -0.397 5.768 1.00 0.00 O ATOM 268 CB HIS A 17 -9.985 -2.771 5.083 1.00 0.00 C ATOM 269 CG HIS A 17 -9.306 -1.856 6.072 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.544 -0.491 6.108 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.391 -2.103 7.066 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.788 0.027 7.093 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.066 -0.913 7.709 1.00 0.00 N ATOM 0 H HIS A 17 -10.891 -0.231 3.957 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.015 -2.977 4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.121 -3.758 5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.353 -2.900 4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.985 -3.073 7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.767 1.075 7.354 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.416 -0.786 8.485 1.00 0.00 H new ATOM 281 N GLN A 18 -12.173 -2.217 6.957 1.00 0.00 N ATOM 282 CA GLN A 18 -12.855 -1.618 8.143 1.00 0.00 C ATOM 283 C GLN A 18 -12.221 -0.270 8.495 1.00 0.00 C ATOM 284 O GLN A 18 -12.700 0.775 8.101 1.00 0.00 O ATOM 285 CB GLN A 18 -12.646 -2.623 9.279 1.00 0.00 C ATOM 286 CG GLN A 18 -13.911 -3.465 9.456 1.00 0.00 C ATOM 287 CD GLN A 18 -14.606 -3.076 10.763 1.00 0.00 C ATOM 288 OE1 GLN A 18 -15.102 -1.976 10.897 1.00 0.00 O ATOM 289 NE2 GLN A 18 -14.663 -3.940 11.740 1.00 0.00 N ATOM 0 H GLN A 18 -11.828 -3.168 7.089 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.913 -1.432 7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.796 -3.268 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.414 -2.098 10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.585 -3.309 8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.656 -4.525 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.247 -4.864 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.124 -3.691 12.615 1.00 0.00 H new ATOM 298 N GLY A 19 -11.147 -0.287 9.234 1.00 0.00 N ATOM 299 CA GLY A 19 -10.483 0.993 9.611 1.00 0.00 C ATOM 300 C GLY A 19 -11.538 2.002 10.068 1.00 0.00 C ATOM 301 O GLY A 19 -12.377 1.705 10.895 1.00 0.00 O ATOM 0 H GLY A 19 -10.700 -1.131 9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.762 0.819 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.928 1.391 8.761 1.00 0.00 H new ATOM 594 N THR A 37 -14.792 -5.195 3.124 1.00 0.00 N ATOM 595 CA THR A 37 -13.523 -5.808 3.609 1.00 0.00 C ATOM 596 C THR A 37 -13.237 -5.371 5.048 1.00 0.00 C ATOM 597 O THR A 37 -13.541 -4.264 5.445 1.00 0.00 O ATOM 598 CB THR A 37 -12.444 -5.281 2.662 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.600 -5.890 1.388 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.060 -5.614 3.224 1.00 0.00 C ATOM 0 HA THR A 37 -13.566 -6.897 3.614 1.00 0.00 H new ATOM 0 HB THR A 37 -12.541 -4.200 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.549 -6.074 1.227 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.292 -5.238 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.942 -5.147 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.958 -6.695 3.323 1.00 0.00 H new ATOM 608 N THR A 38 -12.653 -6.235 5.832 1.00 0.00 N ATOM 609 CA THR A 38 -12.345 -5.874 7.246 1.00 0.00 C ATOM 610 C THR A 38 -10.856 -6.095 7.533 1.00 0.00 C ATOM 611 O THR A 38 -10.033 -6.067 6.639 1.00 0.00 O ATOM 612 CB THR A 38 -13.202 -6.820 8.089 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.671 -8.135 8.009 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.639 -6.815 7.564 1.00 0.00 C ATOM 0 H THR A 38 -12.375 -7.176 5.555 1.00 0.00 H new ATOM 0 HA THR A 38 -12.558 -4.828 7.464 1.00 0.00 H new ATOM 0 HB THR A 38 -13.196 -6.488 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.218 -8.742 8.550 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.248 -7.489 8.165 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.046 -5.806 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.648 -7.146 6.526 1.00 0.00 H new ATOM 622 N ARG A 39 -10.502 -6.315 8.770 1.00 0.00 N ATOM 623 CA ARG A 39 -9.065 -6.539 9.104 1.00 0.00 C ATOM 624 C ARG A 39 -8.571 -7.827 8.447 1.00 0.00 C ATOM 625 O ARG A 39 -7.866 -7.803 7.461 1.00 0.00 O ATOM 626 CB ARG A 39 -9.022 -6.656 10.628 1.00 0.00 C ATOM 627 CG ARG A 39 -8.249 -5.469 11.208 1.00 0.00 C ATOM 628 CD ARG A 39 -6.755 -5.798 11.235 1.00 0.00 C ATOM 629 NE ARG A 39 -6.087 -4.527 11.631 1.00 0.00 N ATOM 630 CZ ARG A 39 -4.790 -4.491 11.773 1.00 0.00 C ATOM 631 NH1 ARG A 39 -4.018 -4.540 10.722 1.00 0.00 N ATOM 632 NH2 ARG A 39 -4.264 -4.403 12.965 1.00 0.00 N ATOM 0 H ARG A 39 -11.143 -6.349 9.562 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.425 -5.733 8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.035 -6.676 11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.545 -7.592 10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.425 -4.577 10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.602 -5.249 12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.539 -6.595 11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.408 -6.139 10.259 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.642 -3.686 11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.428 -4.606 9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.004 -4.512 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.867 -4.362 13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.250 -4.375 13.074 1.00 0.00 H new ATOM 646 N GLU A 40 -8.943 -8.954 8.977 1.00 0.00 N ATOM 647 CA GLU A 40 -8.500 -10.236 8.364 1.00 0.00 C ATOM 648 C GLU A 40 -8.707 -10.171 6.852 1.00 0.00 C ATOM 649 O GLU A 40 -7.788 -10.336 6.075 1.00 0.00 O ATOM 650 CB GLU A 40 -9.409 -11.296 8.977 1.00 0.00 C ATOM 651 CG GLU A 40 -9.043 -12.674 8.419 1.00 0.00 C ATOM 652 CD GLU A 40 -7.618 -13.037 8.841 1.00 0.00 C ATOM 653 OE1 GLU A 40 -7.404 -13.229 10.026 1.00 0.00 O ATOM 654 OE2 GLU A 40 -6.766 -13.119 7.971 1.00 0.00 O ATOM 0 H GLU A 40 -9.532 -9.045 9.805 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.446 -10.450 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.307 -11.293 10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.451 -11.068 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.744 -13.424 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.121 -12.670 7.332 1.00 0.00 H new ATOM 661 N ALA A 41 -9.918 -9.927 6.436 1.00 0.00 N ATOM 662 CA ALA A 41 -10.212 -9.843 4.977 1.00 0.00 C ATOM 663 C ALA A 41 -9.193 -8.943 4.273 1.00 0.00 C ATOM 664 O ALA A 41 -8.611 -9.312 3.272 1.00 0.00 O ATOM 665 CB ALA A 41 -11.612 -9.235 4.891 1.00 0.00 C ATOM 0 H ALA A 41 -10.722 -9.781 7.047 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.156 -10.817 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.904 -9.140 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.322 -9.881 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.610 -8.250 5.359 1.00 0.00 H new ATOM 671 N ALA A 42 -8.976 -7.763 4.784 1.00 0.00 N ATOM 672 CA ALA A 42 -7.996 -6.840 4.135 1.00 0.00 C ATOM 673 C ALA A 42 -6.732 -7.606 3.748 1.00 0.00 C ATOM 674 O ALA A 42 -6.424 -7.762 2.583 1.00 0.00 O ATOM 675 CB ALA A 42 -7.685 -5.770 5.182 1.00 0.00 C ATOM 0 H ALA A 42 -9.432 -7.397 5.620 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.392 -6.397 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.970 -5.057 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.603 -5.248 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.260 -6.241 6.068 1.00 0.00 H new ATOM 681 N VAL A 43 -6.001 -8.093 4.709 1.00 0.00 N ATOM 682 CA VAL A 43 -4.766 -8.857 4.376 1.00 0.00 C ATOM 683 C VAL A 43 -5.116 -9.975 3.393 1.00 0.00 C ATOM 684 O VAL A 43 -4.339 -10.318 2.524 1.00 0.00 O ATOM 685 CB VAL A 43 -4.269 -9.433 5.703 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.245 -10.536 5.429 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.612 -8.321 6.526 1.00 0.00 C ATOM 0 H VAL A 43 -6.202 -7.997 5.704 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.002 -8.236 3.908 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.111 -9.848 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.891 -10.947 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.711 -11.327 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.403 -10.121 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.257 -8.730 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.770 -7.907 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.340 -7.534 6.721 1.00 0.00 H new ATOM 697 N GLU A 44 -6.291 -10.533 3.514 1.00 0.00 N ATOM 698 CA GLU A 44 -6.698 -11.613 2.572 1.00 0.00 C ATOM 699 C GLU A 44 -6.762 -11.043 1.158 1.00 0.00 C ATOM 700 O GLU A 44 -6.188 -11.578 0.232 1.00 0.00 O ATOM 701 CB GLU A 44 -8.083 -12.063 3.037 1.00 0.00 C ATOM 702 CG GLU A 44 -8.334 -13.498 2.569 1.00 0.00 C ATOM 703 CD GLU A 44 -9.787 -13.643 2.115 1.00 0.00 C ATOM 704 OE1 GLU A 44 -10.607 -12.856 2.557 1.00 0.00 O ATOM 705 OE2 GLU A 44 -10.056 -14.539 1.332 1.00 0.00 O ATOM 0 H GLU A 44 -6.983 -10.288 4.222 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.997 -12.448 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.150 -12.006 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.848 -11.398 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.660 -13.747 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.124 -14.197 3.378 1.00 0.00 H new ATOM 712 N GLN A 45 -7.439 -9.941 0.994 1.00 0.00 N ATOM 713 CA GLN A 45 -7.517 -9.315 -0.353 1.00 0.00 C ATOM 714 C GLN A 45 -6.099 -9.095 -0.868 1.00 0.00 C ATOM 715 O GLN A 45 -5.785 -9.354 -2.013 1.00 0.00 O ATOM 716 CB GLN A 45 -8.219 -7.976 -0.128 1.00 0.00 C ATOM 717 CG GLN A 45 -8.779 -7.460 -1.454 1.00 0.00 C ATOM 718 CD GLN A 45 -9.771 -8.477 -2.022 1.00 0.00 C ATOM 719 OE1 GLN A 45 -10.551 -9.053 -1.292 1.00 0.00 O ATOM 720 NE2 GLN A 45 -9.773 -8.722 -3.304 1.00 0.00 N ATOM 0 H GLN A 45 -7.940 -9.448 1.733 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.050 -9.926 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.024 -8.094 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.518 -7.252 0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.273 -6.500 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.968 -7.293 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.117 -8.237 -3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.430 -9.398 -3.693 1.00 0.00 H new ATOM 729 N LEU A 46 -5.238 -8.630 -0.009 1.00 0.00 N ATOM 730 CA LEU A 46 -3.825 -8.398 -0.410 1.00 0.00 C ATOM 731 C LEU A 46 -3.135 -9.743 -0.644 1.00 0.00 C ATOM 732 O LEU A 46 -2.230 -9.859 -1.447 1.00 0.00 O ATOM 733 CB LEU A 46 -3.194 -7.667 0.777 1.00 0.00 C ATOM 734 CG LEU A 46 -3.118 -6.170 0.474 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.045 -5.408 1.424 1.00 0.00 C ATOM 736 CD2 LEU A 46 -1.680 -5.685 0.670 1.00 0.00 C ATOM 0 H LEU A 46 -5.454 -8.399 0.961 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.735 -7.822 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.784 -7.837 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.196 -8.060 0.971 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.427 -5.992 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.990 -4.341 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.070 -5.754 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.736 -5.586 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.623 -4.618 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.373 -5.864 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.018 -6.227 -0.005 1.00 0.00 H new ATOM 748 N LYS A 47 -3.566 -10.764 0.047 1.00 0.00 N ATOM 749 CA LYS A 47 -2.947 -12.106 -0.139 1.00 0.00 C ATOM 750 C LYS A 47 -3.011 -12.499 -1.614 1.00 0.00 C ATOM 751 O LYS A 47 -2.082 -13.059 -2.162 1.00 0.00 O ATOM 752 CB LYS A 47 -3.795 -13.052 0.711 1.00 0.00 C ATOM 753 CG LYS A 47 -3.002 -14.327 1.004 1.00 0.00 C ATOM 754 CD LYS A 47 -3.233 -14.747 2.456 1.00 0.00 C ATOM 755 CE LYS A 47 -2.666 -13.677 3.392 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.318 -13.359 2.844 1.00 0.00 N ATOM 0 H LYS A 47 -4.320 -10.726 0.732 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.898 -12.132 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.077 -12.565 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.719 -13.298 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.313 -15.125 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.940 -14.156 0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.299 -14.881 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.753 -15.706 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.303 -12.792 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.599 -14.044 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.708 -13.005 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.898 -14.218 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.406 -12.632 2.106 1.00 0.00 H new ATOM 770 N SER A 48 -4.100 -12.196 -2.262 1.00 0.00 N ATOM 771 CA SER A 48 -4.227 -12.534 -3.707 1.00 0.00 C ATOM 772 C SER A 48 -3.520 -11.468 -4.541 1.00 0.00 C ATOM 773 O SER A 48 -3.018 -11.737 -5.613 1.00 0.00 O ATOM 774 CB SER A 48 -5.729 -12.534 -3.990 1.00 0.00 C ATOM 775 OG SER A 48 -6.378 -11.647 -3.088 1.00 0.00 O ATOM 0 H SER A 48 -4.909 -11.728 -1.853 1.00 0.00 H new ATOM 0 HA SER A 48 -3.776 -13.495 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.917 -12.226 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.131 -13.541 -3.880 1.00 0.00 H new ATOM 0 HG SER A 48 -5.922 -10.780 -3.097 1.00 0.00 H new ATOM 781 N ILE A 49 -3.468 -10.259 -4.051 1.00 0.00 N ATOM 782 CA ILE A 49 -2.780 -9.181 -4.815 1.00 0.00 C ATOM 783 C ILE A 49 -1.295 -9.532 -4.947 1.00 0.00 C ATOM 784 O ILE A 49 -0.763 -9.629 -6.034 1.00 0.00 O ATOM 785 CB ILE A 49 -3.019 -7.895 -3.996 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.731 -6.867 -4.878 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.698 -7.293 -3.496 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.998 -6.750 -6.216 1.00 0.00 C ATOM 0 H ILE A 49 -3.870 -9.973 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.154 -9.054 -5.831 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.629 -8.151 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.766 -7.168 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.756 -5.898 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.904 -6.389 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.186 -8.016 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.065 -7.046 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.504 -6.018 -6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.971 -6.430 -6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.996 -7.719 -6.716 1.00 0.00 H new ATOM 800 N ARG A 50 -0.631 -9.746 -3.846 1.00 0.00 N ATOM 801 CA ARG A 50 0.809 -10.118 -3.916 1.00 0.00 C ATOM 802 C ARG A 50 0.943 -11.344 -4.814 1.00 0.00 C ATOM 803 O ARG A 50 1.813 -11.425 -5.656 1.00 0.00 O ATOM 804 CB ARG A 50 1.211 -10.452 -2.480 1.00 0.00 C ATOM 805 CG ARG A 50 2.714 -10.734 -2.425 1.00 0.00 C ATOM 806 CD ARG A 50 2.945 -12.194 -2.025 1.00 0.00 C ATOM 807 NE ARG A 50 3.597 -12.127 -0.688 1.00 0.00 N ATOM 808 CZ ARG A 50 4.887 -12.296 -0.581 1.00 0.00 C ATOM 809 NH1 ARG A 50 5.705 -11.385 -1.032 1.00 0.00 N ATOM 810 NH2 ARG A 50 5.360 -13.376 -0.023 1.00 0.00 N ATOM 0 H ARG A 50 -1.020 -9.680 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 50 1.440 -9.328 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.961 -9.622 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.654 -11.320 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.168 -10.536 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.194 -10.069 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.005 -12.744 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.579 -12.706 -2.749 1.00 0.00 H new ATOM 0 HE ARG A 50 3.035 -11.949 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.337 -10.540 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.713 -11.518 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.722 -14.089 0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.368 -13.507 0.060 1.00 0.00 H new ATOM 824 N GLU A 51 0.057 -12.287 -4.649 1.00 0.00 N ATOM 825 CA GLU A 51 0.082 -13.509 -5.498 1.00 0.00 C ATOM 826 C GLU A 51 -0.154 -13.103 -6.946 1.00 0.00 C ATOM 827 O GLU A 51 0.646 -13.353 -7.826 1.00 0.00 O ATOM 828 CB GLU A 51 -1.088 -14.347 -4.977 1.00 0.00 C ATOM 829 CG GLU A 51 -1.563 -15.335 -6.046 1.00 0.00 C ATOM 830 CD GLU A 51 -0.358 -15.968 -6.747 1.00 0.00 C ATOM 831 OE1 GLU A 51 0.711 -15.970 -6.159 1.00 0.00 O ATOM 832 OE2 GLU A 51 -0.525 -16.439 -7.860 1.00 0.00 O ATOM 0 H GLU A 51 -0.690 -12.262 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 51 1.025 -14.053 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.783 -14.890 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.910 -13.693 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.177 -16.111 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.190 -14.821 -6.775 1.00 0.00 H new ATOM 839 N ASP A 52 -1.250 -12.460 -7.190 1.00 0.00 N ATOM 840 CA ASP A 52 -1.545 -12.007 -8.575 1.00 0.00 C ATOM 841 C ASP A 52 -0.358 -11.192 -9.087 1.00 0.00 C ATOM 842 O ASP A 52 0.195 -11.470 -10.133 1.00 0.00 O ATOM 843 CB ASP A 52 -2.796 -11.135 -8.454 1.00 0.00 C ATOM 844 CG ASP A 52 -3.413 -10.923 -9.837 1.00 0.00 C ATOM 845 OD1 ASP A 52 -2.960 -10.031 -10.535 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.328 -11.656 -10.175 1.00 0.00 O ATOM 0 H ASP A 52 -1.958 -12.226 -6.494 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.707 -12.830 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.519 -11.610 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.539 -10.174 -8.009 1.00 0.00 H new ATOM 851 N ILE A 53 0.056 -10.203 -8.342 1.00 0.00 N ATOM 852 CA ILE A 53 1.228 -9.394 -8.775 1.00 0.00 C ATOM 853 C ILE A 53 2.462 -10.294 -8.805 1.00 0.00 C ATOM 854 O ILE A 53 3.419 -10.041 -9.509 1.00 0.00 O ATOM 855 CB ILE A 53 1.382 -8.303 -7.714 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.165 -7.375 -7.753 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.648 -7.491 -7.998 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.360 -6.235 -6.751 1.00 0.00 C ATOM 0 H ILE A 53 -0.365 -9.922 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 53 1.103 -8.962 -9.768 1.00 0.00 H new ATOM 0 HB ILE A 53 1.457 -8.764 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.034 -6.972 -8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.740 -7.934 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.759 -6.713 -7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.516 -8.149 -7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.572 -7.031 -8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.506 -5.574 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.470 -6.647 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.255 -5.671 -7.012 1.00 0.00 H new ATOM 870 N VAL A 54 2.434 -11.357 -8.045 1.00 0.00 N ATOM 871 CA VAL A 54 3.587 -12.298 -8.023 1.00 0.00 C ATOM 872 C VAL A 54 3.621 -13.078 -9.338 1.00 0.00 C ATOM 873 O VAL A 54 4.622 -13.116 -10.026 1.00 0.00 O ATOM 874 CB VAL A 54 3.323 -13.217 -6.816 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.812 -14.641 -7.098 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.059 -12.670 -5.593 1.00 0.00 C ATOM 0 H VAL A 54 1.657 -11.613 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 54 4.553 -11.802 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 54 2.249 -13.245 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.615 -15.272 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.286 -15.041 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.883 -14.625 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.874 -13.319 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.129 -12.636 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.700 -11.665 -5.371 1.00 0.00 H new ATOM 886 N SER A 55 2.528 -13.689 -9.699 1.00 0.00 N ATOM 887 CA SER A 55 2.497 -14.453 -10.979 1.00 0.00 C ATOM 888 C SER A 55 1.914 -13.582 -12.088 1.00 0.00 C ATOM 889 O SER A 55 0.948 -12.872 -11.892 1.00 0.00 O ATOM 890 CB SER A 55 1.600 -15.659 -10.727 1.00 0.00 C ATOM 891 OG SER A 55 1.210 -15.688 -9.360 1.00 0.00 O ATOM 0 H SER A 55 1.658 -13.693 -9.167 1.00 0.00 H new ATOM 0 HA SER A 55 3.495 -14.760 -11.291 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.718 -15.609 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.128 -16.577 -10.984 1.00 0.00 H new ATOM 0 HG SER A 55 0.349 -16.148 -9.275 1.00 0.00 H new ATOM 897 N GLY A 56 2.497 -13.624 -13.249 1.00 0.00 N ATOM 898 CA GLY A 56 1.985 -12.797 -14.363 1.00 0.00 C ATOM 899 C GLY A 56 2.406 -11.357 -14.118 1.00 0.00 C ATOM 900 O GLY A 56 1.970 -10.728 -13.177 1.00 0.00 O ATOM 0 H GLY A 56 3.309 -14.199 -13.472 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.382 -13.153 -15.314 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.899 -12.871 -14.423 1.00 0.00 H new ATOM 904 N LYS A 57 3.260 -10.837 -14.948 1.00 0.00 N ATOM 905 CA LYS A 57 3.725 -9.429 -14.770 1.00 0.00 C ATOM 906 C LYS A 57 2.556 -8.455 -14.955 1.00 0.00 C ATOM 907 O LYS A 57 2.606 -7.554 -15.769 1.00 0.00 O ATOM 908 CB LYS A 57 4.779 -9.217 -15.859 1.00 0.00 C ATOM 909 CG LYS A 57 5.315 -7.786 -15.781 1.00 0.00 C ATOM 910 CD LYS A 57 6.699 -7.793 -15.127 1.00 0.00 C ATOM 911 CE LYS A 57 7.098 -6.362 -14.759 1.00 0.00 C ATOM 912 NZ LYS A 57 7.435 -5.707 -16.054 1.00 0.00 N ATOM 0 H LYS A 57 3.661 -11.326 -15.748 1.00 0.00 H new ATOM 0 HA LYS A 57 4.129 -9.252 -13.773 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.595 -9.929 -15.734 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.344 -9.400 -16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.376 -7.354 -16.780 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.632 -7.162 -15.205 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.688 -8.419 -14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.433 -8.222 -15.809 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.283 -5.843 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.950 -6.353 -14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.389 -5.296 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.407 -6.413 -16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.745 -4.955 -16.253 1.00 0.00 H new ATOM 926 N ALA A 58 1.504 -8.635 -14.206 1.00 0.00 N ATOM 927 CA ALA A 58 0.324 -7.736 -14.324 1.00 0.00 C ATOM 928 C ALA A 58 0.736 -6.271 -14.146 1.00 0.00 C ATOM 929 O ALA A 58 1.904 -5.952 -14.042 1.00 0.00 O ATOM 930 CB ALA A 58 -0.595 -8.176 -13.188 1.00 0.00 C ATOM 0 H ALA A 58 1.411 -9.375 -13.510 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.154 -7.802 -15.301 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.498 -7.566 -13.194 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.864 -9.224 -13.322 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.080 -8.053 -12.235 1.00 0.00 H new ATOM 936 N ASN A 59 -0.218 -5.378 -14.111 1.00 0.00 N ATOM 937 CA ASN A 59 0.111 -3.932 -13.940 1.00 0.00 C ATOM 938 C ASN A 59 0.192 -3.575 -12.453 1.00 0.00 C ATOM 939 O ASN A 59 0.365 -4.432 -11.609 1.00 0.00 O ATOM 940 CB ASN A 59 -1.043 -3.182 -14.606 1.00 0.00 C ATOM 941 CG ASN A 59 -0.571 -2.596 -15.937 1.00 0.00 C ATOM 942 OD1 ASN A 59 -1.196 -2.797 -16.959 1.00 0.00 O ATOM 943 ND2 ASN A 59 0.516 -1.874 -15.970 1.00 0.00 N ATOM 0 H ASN A 59 -1.213 -5.588 -14.194 1.00 0.00 H new ATOM 0 HA ASN A 59 1.075 -3.676 -14.380 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.882 -3.858 -14.771 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.399 -2.386 -13.952 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.840 -1.479 -16.853 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.042 -1.704 -15.113 1.00 0.00 H new ATOM 950 N PHE A 60 0.066 -2.316 -12.124 1.00 0.00 N ATOM 951 CA PHE A 60 0.135 -1.912 -10.689 1.00 0.00 C ATOM 952 C PHE A 60 -0.203 -0.427 -10.525 1.00 0.00 C ATOM 953 O PHE A 60 -0.794 -0.022 -9.543 1.00 0.00 O ATOM 954 CB PHE A 60 1.582 -2.177 -10.271 1.00 0.00 C ATOM 955 CG PHE A 60 1.764 -1.793 -8.822 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.863 -0.443 -8.461 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.833 -2.787 -7.839 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.030 -0.089 -7.117 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.000 -2.433 -6.495 1.00 0.00 C ATOM 960 CZ PHE A 60 2.099 -1.084 -6.134 1.00 0.00 C ATOM 0 H PHE A 60 -0.081 -1.553 -12.784 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.579 -2.464 -10.078 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.826 -3.230 -10.413 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.264 -1.604 -10.899 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.811 0.324 -9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.757 -3.828 -8.118 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.106 0.952 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.052 -3.200 -5.737 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.229 -0.811 -5.097 1.00 0.00 H new ATOM 970 N GLU A 61 0.169 0.389 -11.472 1.00 0.00 N ATOM 971 CA GLU A 61 -0.131 1.848 -11.359 1.00 0.00 C ATOM 972 C GLU A 61 -1.644 2.079 -11.356 1.00 0.00 C ATOM 973 O GLU A 61 -2.245 2.291 -10.321 1.00 0.00 O ATOM 974 CB GLU A 61 0.509 2.487 -12.593 1.00 0.00 C ATOM 975 CG GLU A 61 1.948 2.897 -12.271 1.00 0.00 C ATOM 976 CD GLU A 61 2.008 4.407 -12.025 1.00 0.00 C ATOM 977 OE1 GLU A 61 0.984 4.972 -11.677 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.077 4.972 -12.189 1.00 0.00 O ATOM 0 H GLU A 61 0.667 0.112 -12.318 1.00 0.00 H new ATOM 0 HA GLU A 61 0.257 2.276 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.498 1.784 -13.426 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.067 3.358 -12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.302 2.360 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.607 2.626 -13.096 1.00 0.00 H new ATOM 985 N GLU A 62 -2.264 2.036 -12.506 1.00 0.00 N ATOM 986 CA GLU A 62 -3.742 2.249 -12.570 1.00 0.00 C ATOM 987 C GLU A 62 -4.422 1.520 -11.412 1.00 0.00 C ATOM 988 O GLU A 62 -5.360 2.015 -10.820 1.00 0.00 O ATOM 989 CB GLU A 62 -4.169 1.648 -13.909 1.00 0.00 C ATOM 990 CG GLU A 62 -5.654 1.928 -14.149 1.00 0.00 C ATOM 991 CD GLU A 62 -6.127 1.146 -15.376 1.00 0.00 C ATOM 992 OE1 GLU A 62 -5.618 0.060 -15.593 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.991 1.647 -16.077 1.00 0.00 O ATOM 0 H GLU A 62 -1.812 1.863 -13.404 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.017 3.301 -12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.573 2.074 -14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.987 0.573 -13.911 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.236 1.639 -13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.814 2.995 -14.300 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.949 0.354 -11.074 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.566 -0.389 -9.943 1.00 0.00 C ATOM 1002 C VAL A 63 -4.501 0.472 -8.684 1.00 0.00 C ATOM 1003 O VAL A 63 -5.475 0.635 -7.977 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.717 -1.652 -9.787 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.099 -2.375 -8.495 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.965 -2.578 -10.978 1.00 0.00 C ATOM 0 H VAL A 63 -3.166 -0.114 -11.530 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.614 -0.635 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.663 -1.376 -9.748 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.492 -3.274 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.925 -1.716 -7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.153 -2.651 -8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.361 -3.479 -10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.020 -2.850 -11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.691 -2.066 -11.900 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.359 1.038 -8.411 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.220 1.907 -7.209 1.00 0.00 C ATOM 1018 C ALA A 64 -4.177 3.092 -7.314 1.00 0.00 C ATOM 1019 O ALA A 64 -4.997 3.317 -6.449 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.770 2.391 -7.239 1.00 0.00 C ATOM 0 H ALA A 64 -2.512 0.936 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.456 1.381 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.585 3.040 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.099 1.533 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.591 2.946 -8.160 1.00 0.00 H new ATOM 1026 N THR A 65 -4.075 3.846 -8.375 1.00 0.00 N ATOM 1027 CA THR A 65 -4.972 5.023 -8.557 1.00 0.00 C ATOM 1028 C THR A 65 -6.392 4.695 -8.082 1.00 0.00 C ATOM 1029 O THR A 65 -7.042 5.496 -7.439 1.00 0.00 O ATOM 1030 CB THR A 65 -4.951 5.293 -10.062 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.442 4.153 -10.735 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.059 6.500 -10.356 1.00 0.00 C ATOM 0 H THR A 65 -3.404 3.696 -9.129 1.00 0.00 H new ATOM 0 HA THR A 65 -4.647 5.888 -7.979 1.00 0.00 H new ATOM 0 HB THR A 65 -5.963 5.501 -10.408 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.155 3.489 -10.839 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.046 6.690 -11.429 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.449 7.376 -9.837 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.045 6.296 -10.011 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.875 3.520 -8.385 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.249 3.142 -7.940 1.00 0.00 C ATOM 1042 C ARG A 66 -8.213 2.663 -6.488 1.00 0.00 C ATOM 1043 O ARG A 66 -8.870 3.207 -5.623 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.668 2.003 -8.871 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.183 1.813 -8.794 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.538 0.375 -9.176 1.00 0.00 C ATOM 1047 NE ARG A 66 -12.019 0.375 -9.326 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.607 -0.581 -9.991 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -11.944 -1.661 -10.305 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -13.858 -0.459 -10.341 1.00 0.00 N ATOM 0 H ARG A 66 -6.380 2.807 -8.920 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.946 3.979 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.371 2.228 -9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.160 1.081 -8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.536 2.030 -7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.682 2.512 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.047 0.079 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.218 -0.329 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.574 1.122 -8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.966 -1.757 -10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.404 -2.409 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.377 0.384 -10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.317 -1.207 -10.861 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.436 1.656 -6.219 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.327 1.132 -4.827 1.00 0.00 C ATOM 1066 C VAL A 67 -6.160 1.825 -4.122 1.00 0.00 C ATOM 1067 O VAL A 67 -5.185 1.203 -3.750 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.049 -0.364 -4.996 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.720 -0.556 -5.723 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -6.972 -1.031 -3.625 1.00 0.00 C ATOM 0 H VAL A 67 -6.865 1.167 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.221 1.309 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.854 -0.815 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.522 -1.621 -5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.770 -0.083 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.918 -0.101 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.774 -2.096 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.169 -0.578 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.918 -0.897 -3.101 1.00 0.00 H new ATOM 1080 N SER A 68 -6.242 3.117 -3.964 1.00 0.00 N ATOM 1081 CA SER A 68 -5.125 3.864 -3.318 1.00 0.00 C ATOM 1082 C SER A 68 -5.608 4.665 -2.104 1.00 0.00 C ATOM 1083 O SER A 68 -6.788 4.895 -1.923 1.00 0.00 O ATOM 1084 CB SER A 68 -4.650 4.814 -4.406 1.00 0.00 C ATOM 1085 OG SER A 68 -5.754 5.147 -5.235 1.00 0.00 O ATOM 0 H SER A 68 -7.035 3.689 -4.254 1.00 0.00 H new ATOM 0 HA SER A 68 -4.347 3.195 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.226 5.715 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.861 4.348 -4.997 1.00 0.00 H new ATOM 0 HG SER A 68 -6.009 4.366 -5.770 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.691 5.104 -1.281 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.074 5.909 -0.085 1.00 0.00 C ATOM 1093 C ASP A 69 -5.489 7.315 -0.516 1.00 0.00 C ATOM 1094 O ASP A 69 -4.805 8.283 -0.252 1.00 0.00 O ATOM 1095 CB ASP A 69 -3.814 5.961 0.781 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.111 6.733 2.069 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.064 7.495 2.074 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.380 6.548 3.029 1.00 0.00 O ATOM 0 H ASP A 69 -3.690 4.938 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.917 5.477 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.481 4.951 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.004 6.443 0.234 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.605 7.429 -1.182 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.073 8.768 -1.640 1.00 0.00 C ATOM 1105 C CYS A 70 -5.934 9.511 -2.344 1.00 0.00 C ATOM 1106 O CYS A 70 -5.752 9.404 -3.545 1.00 0.00 O ATOM 1107 CB CYS A 70 -7.485 9.502 -0.364 1.00 0.00 C ATOM 1108 SG CYS A 70 -7.747 11.254 -0.734 1.00 0.00 S ATOM 0 H CYS A 70 -7.215 6.650 -1.430 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.895 8.698 -2.352 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.397 9.065 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.713 9.392 0.397 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.100 11.878 0.350 1.00 0.00 H new ATOM 1114 N SER A 71 -5.151 10.250 -1.602 1.00 0.00 N ATOM 1115 CA SER A 71 -4.011 10.978 -2.218 1.00 0.00 C ATOM 1116 C SER A 71 -3.308 10.044 -3.189 1.00 0.00 C ATOM 1117 O SER A 71 -2.995 10.397 -4.309 1.00 0.00 O ATOM 1118 CB SER A 71 -3.099 11.312 -1.046 1.00 0.00 C ATOM 1119 OG SER A 71 -2.017 12.115 -1.498 1.00 0.00 O ATOM 0 H SER A 71 -5.255 10.379 -0.595 1.00 0.00 H new ATOM 0 HA SER A 71 -4.308 11.871 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.660 11.840 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.721 10.395 -0.594 1.00 0.00 H new ATOM 0 HG SER A 71 -1.432 12.331 -0.742 1.00 0.00 H new ATOM 1125 N SER A 72 -3.081 8.839 -2.760 1.00 0.00 N ATOM 1126 CA SER A 72 -2.421 7.846 -3.646 1.00 0.00 C ATOM 1127 C SER A 72 -3.235 7.705 -4.932 1.00 0.00 C ATOM 1128 O SER A 72 -2.688 7.588 -6.004 1.00 0.00 O ATOM 1129 CB SER A 72 -2.407 6.545 -2.848 1.00 0.00 C ATOM 1130 OG SER A 72 -1.225 6.490 -2.059 1.00 0.00 O ATOM 0 H SER A 72 -3.325 8.497 -1.831 1.00 0.00 H new ATOM 0 HA SER A 72 -1.411 8.134 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.288 6.488 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.447 5.690 -3.523 1.00 0.00 H new ATOM 0 HG SER A 72 -0.459 6.275 -2.632 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.537 7.759 -4.855 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.333 7.674 -6.115 1.00 0.00 C ATOM 1138 C ALA A 73 -4.722 8.665 -7.097 1.00 0.00 C ATOM 1139 O ALA A 73 -4.685 8.451 -8.292 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.758 8.072 -5.742 1.00 0.00 C ATOM 0 H ALA A 73 -5.076 7.856 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.333 6.683 -6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.392 8.029 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.142 7.385 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.760 9.087 -5.344 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.189 9.732 -6.569 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.506 10.735 -7.427 1.00 0.00 C ATOM 1148 C LYS A 74 -2.058 10.272 -7.611 1.00 0.00 C ATOM 1149 O LYS A 74 -1.447 10.463 -8.645 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.571 12.043 -6.634 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.355 13.227 -7.578 1.00 0.00 C ATOM 1152 CD LYS A 74 -1.989 13.858 -7.301 1.00 0.00 C ATOM 1153 CE LYS A 74 -1.928 14.329 -5.846 1.00 0.00 C ATOM 1154 NZ LYS A 74 -1.084 15.556 -5.875 1.00 0.00 N ATOM 0 H LYS A 74 -4.198 9.952 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.954 10.859 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.538 12.132 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.811 12.044 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.410 12.894 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.144 13.966 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.197 13.134 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.822 14.699 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.924 14.544 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.493 13.565 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.995 15.939 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.140 15.320 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.527 16.267 -6.491 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.528 9.634 -6.600 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.136 9.100 -6.655 1.00 0.00 C ATOM 1170 C ARG A 75 -0.178 7.583 -6.434 1.00 0.00 C ATOM 1171 O ARG A 75 0.331 7.074 -5.455 1.00 0.00 O ATOM 1172 CB ARG A 75 0.586 9.784 -5.494 1.00 0.00 C ATOM 1173 CG ARG A 75 1.890 10.392 -5.997 1.00 0.00 C ATOM 1174 CD ARG A 75 3.073 9.557 -5.499 1.00 0.00 C ATOM 1175 NE ARG A 75 4.171 10.539 -5.277 1.00 0.00 N ATOM 1176 CZ ARG A 75 4.860 10.985 -6.291 1.00 0.00 C ATOM 1177 NH1 ARG A 75 5.786 10.238 -6.827 1.00 0.00 N ATOM 1178 NH2 ARG A 75 4.626 12.177 -6.768 1.00 0.00 N ATOM 0 H ARG A 75 -2.013 9.457 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 75 0.359 9.286 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.048 10.560 -5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.790 9.063 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.890 10.427 -7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.983 11.419 -5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.824 9.029 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.360 8.803 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 75 4.384 10.862 -4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.970 9.307 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.326 10.585 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.903 12.762 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.166 12.524 -7.561 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.817 6.864 -7.319 1.00 0.00 N ATOM 1193 CA GLY A 76 -0.938 5.387 -7.150 1.00 0.00 C ATOM 1194 C GLY A 76 0.398 4.711 -7.436 1.00 0.00 C ATOM 1195 O GLY A 76 0.599 3.555 -7.123 1.00 0.00 O ATOM 0 H GLY A 76 -1.263 7.239 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.261 5.155 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.702 4.998 -7.824 1.00 0.00 H new ATOM 1199 N GLY A 77 1.313 5.417 -8.028 1.00 0.00 N ATOM 1200 CA GLY A 77 2.631 4.802 -8.331 1.00 0.00 C ATOM 1201 C GLY A 77 3.365 4.494 -7.025 1.00 0.00 C ATOM 1202 O GLY A 77 3.098 3.508 -6.352 1.00 0.00 O ATOM 0 H GLY A 77 1.208 6.390 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.493 3.887 -8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.227 5.478 -8.944 1.00 0.00 H new ATOM 1206 N ASP A 78 4.296 5.323 -6.657 1.00 0.00 N ATOM 1207 CA ASP A 78 5.045 5.058 -5.404 1.00 0.00 C ATOM 1208 C ASP A 78 5.323 6.351 -4.641 1.00 0.00 C ATOM 1209 O ASP A 78 4.954 7.430 -5.059 1.00 0.00 O ATOM 1210 CB ASP A 78 6.356 4.423 -5.869 1.00 0.00 C ATOM 1211 CG ASP A 78 7.133 5.425 -6.725 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.599 5.849 -7.737 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.248 5.752 -6.354 1.00 0.00 O ATOM 0 H ASP A 78 4.569 6.165 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 78 4.484 4.418 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.953 4.124 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.151 3.520 -6.444 1.00 0.00 H new ATOM 1218 N LEU A 79 5.988 6.240 -3.525 1.00 0.00 N ATOM 1219 CA LEU A 79 6.319 7.445 -2.719 1.00 0.00 C ATOM 1220 C LEU A 79 7.574 8.093 -3.293 1.00 0.00 C ATOM 1221 O LEU A 79 7.562 9.210 -3.770 1.00 0.00 O ATOM 1222 CB LEU A 79 6.607 6.915 -1.308 1.00 0.00 C ATOM 1223 CG LEU A 79 5.314 6.434 -0.643 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.726 5.261 -1.429 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.622 5.970 0.784 1.00 0.00 C ATOM 0 H LEU A 79 6.319 5.358 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 79 5.520 8.186 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.323 6.095 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.064 7.699 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 79 4.597 7.254 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.807 4.926 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.508 5.579 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.444 4.441 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.704 5.627 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.343 5.153 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.039 6.800 1.354 1.00 0.00 H new ATOM 1237 N GLY A 80 8.657 7.378 -3.236 1.00 0.00 N ATOM 1238 CA GLY A 80 9.946 7.893 -3.757 1.00 0.00 C ATOM 1239 C GLY A 80 11.030 7.530 -2.762 1.00 0.00 C ATOM 1240 O GLY A 80 11.656 6.504 -2.874 1.00 0.00 O ATOM 0 H GLY A 80 8.703 6.438 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.163 7.459 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.898 8.974 -3.892 1.00 0.00 H new ATOM 1244 N SER A 81 11.240 8.359 -1.779 1.00 0.00 N ATOM 1245 CA SER A 81 12.285 8.061 -0.760 1.00 0.00 C ATOM 1246 C SER A 81 11.938 8.713 0.579 1.00 0.00 C ATOM 1247 O SER A 81 11.696 9.901 0.660 1.00 0.00 O ATOM 1248 CB SER A 81 13.564 8.665 -1.321 1.00 0.00 C ATOM 1249 OG SER A 81 13.737 9.975 -0.798 1.00 0.00 O ATOM 0 H SER A 81 10.732 9.232 -1.636 1.00 0.00 H new ATOM 0 HA SER A 81 12.377 6.991 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.419 8.041 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.516 8.700 -2.409 1.00 0.00 H new ATOM 0 HG SER A 81 14.372 9.948 -0.052 1.00 0.00 H new ATOM 1255 N PHE A 82 11.923 7.945 1.632 1.00 0.00 N ATOM 1256 CA PHE A 82 11.602 8.518 2.969 1.00 0.00 C ATOM 1257 C PHE A 82 12.132 7.589 4.068 1.00 0.00 C ATOM 1258 O PHE A 82 13.259 7.137 4.010 1.00 0.00 O ATOM 1259 CB PHE A 82 10.074 8.626 3.001 1.00 0.00 C ATOM 1260 CG PHE A 82 9.451 7.300 2.634 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.510 6.837 1.313 1.00 0.00 C ATOM 1262 CD2 PHE A 82 8.805 6.537 3.613 1.00 0.00 C ATOM 1263 CE1 PHE A 82 8.927 5.612 0.973 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.221 5.312 3.272 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.281 4.850 1.952 1.00 0.00 C ATOM 0 H PHE A 82 12.119 6.944 1.625 1.00 0.00 H new ATOM 0 HA PHE A 82 12.063 9.491 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.744 8.929 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.742 9.397 2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.006 7.427 0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.757 6.893 4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.976 5.255 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 82 7.724 4.722 4.028 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.828 3.905 1.689 1.00 0.00 H new ATOM 1275 N GLY A 83 11.348 7.296 5.069 1.00 0.00 N ATOM 1276 CA GLY A 83 11.843 6.396 6.149 1.00 0.00 C ATOM 1277 C GLY A 83 11.571 7.027 7.514 1.00 0.00 C ATOM 1278 O GLY A 83 10.685 6.615 8.237 1.00 0.00 O ATOM 0 H GLY A 83 10.394 7.637 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.350 5.426 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.912 6.219 6.026 1.00 0.00 H new ATOM 1282 N ARG A 84 12.326 8.027 7.866 1.00 0.00 N ATOM 1283 CA ARG A 84 12.113 8.697 9.185 1.00 0.00 C ATOM 1284 C ARG A 84 11.516 10.089 8.970 1.00 0.00 C ATOM 1285 O ARG A 84 12.218 11.051 8.732 1.00 0.00 O ATOM 1286 CB ARG A 84 13.495 8.793 9.856 1.00 0.00 C ATOM 1287 CG ARG A 84 14.600 8.953 8.806 1.00 0.00 C ATOM 1288 CD ARG A 84 14.992 7.574 8.272 1.00 0.00 C ATOM 1289 NE ARG A 84 16.457 7.469 8.515 1.00 0.00 N ATOM 1290 CZ ARG A 84 16.993 6.306 8.765 1.00 0.00 C ATOM 1291 NH1 ARG A 84 16.976 5.371 7.855 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.542 6.078 9.926 1.00 0.00 N ATOM 0 H ARG A 84 13.082 8.412 7.300 1.00 0.00 H new ATOM 0 HA ARG A 84 11.419 8.137 9.812 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.513 9.640 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.679 7.898 10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.253 9.587 7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.467 9.446 9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.449 6.782 8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.760 7.481 7.211 1.00 0.00 H new ATOM 0 HE ARG A 84 17.041 8.305 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.544 5.549 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.395 4.462 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.552 6.809 10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.961 5.169 10.122 1.00 0.00 H new ATOM 1306 N GLY A 85 10.218 10.194 9.042 1.00 0.00 N ATOM 1307 CA GLY A 85 9.554 11.512 8.833 1.00 0.00 C ATOM 1308 C GLY A 85 8.199 11.274 8.167 1.00 0.00 C ATOM 1309 O GLY A 85 7.253 12.009 8.372 1.00 0.00 O ATOM 0 H GLY A 85 9.585 9.419 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.423 12.025 9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.175 12.154 8.208 1.00 0.00 H new ATOM 1313 N GLN A 86 8.101 10.238 7.380 1.00 0.00 N ATOM 1314 CA GLN A 86 6.811 9.922 6.702 1.00 0.00 C ATOM 1315 C GLN A 86 6.339 8.541 7.142 1.00 0.00 C ATOM 1316 O GLN A 86 6.958 7.902 7.970 1.00 0.00 O ATOM 1317 CB GLN A 86 7.125 9.903 5.205 1.00 0.00 C ATOM 1318 CG GLN A 86 8.097 11.027 4.859 1.00 0.00 C ATOM 1319 CD GLN A 86 7.764 11.583 3.474 1.00 0.00 C ATOM 1320 OE1 GLN A 86 7.973 10.923 2.476 1.00 0.00 O ATOM 1321 NE2 GLN A 86 7.248 12.777 3.368 1.00 0.00 N ATOM 0 H GLN A 86 8.864 9.592 7.176 1.00 0.00 H new ATOM 0 HA GLN A 86 6.032 10.645 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.556 8.941 4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.205 10.017 4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.034 11.819 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.121 10.654 4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.072 13.333 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.021 13.155 2.448 1.00 0.00 H new ATOM 1330 N MET A 87 5.267 8.061 6.582 1.00 0.00 N ATOM 1331 CA MET A 87 4.787 6.707 6.965 1.00 0.00 C ATOM 1332 C MET A 87 4.853 6.538 8.487 1.00 0.00 C ATOM 1333 O MET A 87 4.853 7.503 9.226 1.00 0.00 O ATOM 1334 CB MET A 87 5.767 5.762 6.268 1.00 0.00 C ATOM 1335 CG MET A 87 5.124 5.193 5.000 1.00 0.00 C ATOM 1336 SD MET A 87 4.398 6.536 4.025 1.00 0.00 S ATOM 1337 CE MET A 87 5.938 7.409 3.651 1.00 0.00 C ATOM 0 H MET A 87 4.705 8.543 5.880 1.00 0.00 H new ATOM 0 HA MET A 87 3.752 6.519 6.678 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.683 6.295 6.015 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.046 4.951 6.941 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.871 4.664 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.355 4.467 5.265 1.00 0.00 H new ATOM 0 HE1 MET A 87 5.712 8.427 3.336 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.566 7.436 4.541 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.465 6.890 2.851 1.00 0.00 H new ATOM 1347 N GLN A 88 4.914 5.326 8.963 1.00 0.00 N ATOM 1348 CA GLN A 88 4.987 5.110 10.435 1.00 0.00 C ATOM 1349 C GLN A 88 5.876 3.899 10.746 1.00 0.00 C ATOM 1350 O GLN A 88 6.727 3.525 9.964 1.00 0.00 O ATOM 1351 CB GLN A 88 3.541 4.857 10.870 1.00 0.00 C ATOM 1352 CG GLN A 88 2.735 6.153 10.754 1.00 0.00 C ATOM 1353 CD GLN A 88 3.481 7.288 11.457 1.00 0.00 C ATOM 1354 OE1 GLN A 88 3.502 8.405 10.978 1.00 0.00 O ATOM 1355 NE2 GLN A 88 4.098 7.050 12.582 1.00 0.00 N ATOM 0 H GLN A 88 4.916 4.477 8.398 1.00 0.00 H new ATOM 0 HA GLN A 88 5.422 5.960 10.961 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.094 4.082 10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.518 4.493 11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.579 6.403 9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.749 6.021 11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.081 6.113 12.985 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.597 7.801 13.059 1.00 0.00 H new ATOM 1364 N LYS A 89 5.692 3.289 11.884 1.00 0.00 N ATOM 1365 CA LYS A 89 6.530 2.110 12.249 1.00 0.00 C ATOM 1366 C LYS A 89 6.147 0.846 11.452 1.00 0.00 C ATOM 1367 O LYS A 89 7.000 0.024 11.184 1.00 0.00 O ATOM 1368 CB LYS A 89 6.269 1.892 13.739 1.00 0.00 C ATOM 1369 CG LYS A 89 7.604 1.777 14.479 1.00 0.00 C ATOM 1370 CD LYS A 89 7.726 0.385 15.100 1.00 0.00 C ATOM 1371 CE LYS A 89 8.663 0.443 16.309 1.00 0.00 C ATOM 1372 NZ LYS A 89 10.036 0.464 15.730 1.00 0.00 N ATOM 0 H LYS A 89 4.996 3.556 12.580 1.00 0.00 H new ATOM 0 HA LYS A 89 7.580 2.294 12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.688 2.721 14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.680 0.987 13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.430 1.953 13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.668 2.540 15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.744 0.025 15.405 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.110 -0.321 14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.475 1.331 16.912 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.522 -0.420 16.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.569 -0.362 16.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.976 0.434 14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.523 1.335 16.024 1.00 0.00 H new ATOM 1386 N PRO A 90 4.884 0.703 11.110 1.00 0.00 N ATOM 1387 CA PRO A 90 4.450 -0.504 10.365 1.00 0.00 C ATOM 1388 C PRO A 90 4.890 -0.445 8.898 1.00 0.00 C ATOM 1389 O PRO A 90 5.545 -1.345 8.411 1.00 0.00 O ATOM 1390 CB PRO A 90 2.931 -0.482 10.489 1.00 0.00 C ATOM 1391 CG PRO A 90 2.574 0.950 10.723 1.00 0.00 C ATOM 1392 CD PRO A 90 3.763 1.617 11.369 1.00 0.00 C ATOM 0 HA PRO A 90 4.890 -1.420 10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.457 -0.862 9.584 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.595 -1.111 11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.324 1.441 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.697 1.026 11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.947 2.602 10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.606 1.759 12.438 1.00 0.00 H new ATOM 1400 N PHE A 91 4.546 0.593 8.182 1.00 0.00 N ATOM 1401 CA PHE A 91 4.972 0.657 6.754 1.00 0.00 C ATOM 1402 C PHE A 91 6.497 0.675 6.672 1.00 0.00 C ATOM 1403 O PHE A 91 7.104 -0.144 6.014 1.00 0.00 O ATOM 1404 CB PHE A 91 4.386 1.956 6.179 1.00 0.00 C ATOM 1405 CG PHE A 91 4.865 2.126 4.747 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.223 2.337 4.488 1.00 0.00 C ATOM 1407 CD2 PHE A 91 3.962 2.046 3.675 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.680 2.468 3.186 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.431 2.187 2.358 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.789 2.397 2.117 1.00 0.00 C ATOM 0 H PHE A 91 3.998 1.386 8.517 1.00 0.00 H new ATOM 0 HA PHE A 91 4.620 -0.208 6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.297 1.923 6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.697 2.808 6.783 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.922 2.398 5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.912 1.877 3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.732 2.626 2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.739 2.133 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.149 2.504 1.104 1.00 0.00 H new ATOM 1420 N GLU A 92 7.124 1.617 7.318 1.00 0.00 N ATOM 1421 CA GLU A 92 8.613 1.691 7.258 1.00 0.00 C ATOM 1422 C GLU A 92 9.200 0.290 7.403 1.00 0.00 C ATOM 1423 O GLU A 92 9.766 -0.254 6.475 1.00 0.00 O ATOM 1424 CB GLU A 92 9.022 2.578 8.435 1.00 0.00 C ATOM 1425 CG GLU A 92 8.775 4.046 8.081 1.00 0.00 C ATOM 1426 CD GLU A 92 8.871 4.899 9.347 1.00 0.00 C ATOM 1427 OE1 GLU A 92 9.263 4.362 10.370 1.00 0.00 O ATOM 1428 OE2 GLU A 92 8.551 6.073 9.273 1.00 0.00 O ATOM 0 H GLU A 92 6.674 2.337 7.883 1.00 0.00 H new ATOM 0 HA GLU A 92 8.974 2.096 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.452 2.307 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.074 2.423 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.507 4.382 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.791 4.161 7.626 1.00 0.00 H new ATOM 1435 N GLU A 93 9.054 -0.307 8.549 1.00 0.00 N ATOM 1436 CA GLU A 93 9.589 -1.684 8.730 1.00 0.00 C ATOM 1437 C GLU A 93 9.188 -2.531 7.521 1.00 0.00 C ATOM 1438 O GLU A 93 9.880 -3.451 7.132 1.00 0.00 O ATOM 1439 CB GLU A 93 8.930 -2.205 10.008 1.00 0.00 C ATOM 1440 CG GLU A 93 9.030 -3.730 10.051 1.00 0.00 C ATOM 1441 CD GLU A 93 10.500 -4.148 9.999 1.00 0.00 C ATOM 1442 OE1 GLU A 93 11.288 -3.563 10.725 1.00 0.00 O ATOM 1443 OE2 GLU A 93 10.815 -5.045 9.234 1.00 0.00 O ATOM 0 H GLU A 93 8.591 0.094 9.364 1.00 0.00 H new ATOM 0 HA GLU A 93 10.676 -1.716 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.417 -1.774 10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.885 -1.898 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.565 -4.110 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.488 -4.164 9.211 1.00 0.00 H new ATOM 1450 N ALA A 94 8.079 -2.205 6.911 1.00 0.00 N ATOM 1451 CA ALA A 94 7.628 -2.962 5.709 1.00 0.00 C ATOM 1452 C ALA A 94 8.541 -2.637 4.538 1.00 0.00 C ATOM 1453 O ALA A 94 9.084 -3.505 3.883 1.00 0.00 O ATOM 1454 CB ALA A 94 6.222 -2.436 5.414 1.00 0.00 C ATOM 0 H ALA A 94 7.464 -1.443 7.196 1.00 0.00 H new ATOM 0 HA ALA A 94 7.644 -4.040 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.819 -2.946 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.576 -2.622 6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.268 -1.364 5.220 1.00 0.00 H new ATOM 1460 N THR A 95 8.705 -1.377 4.281 1.00 0.00 N ATOM 1461 CA THR A 95 9.571 -0.939 3.162 1.00 0.00 C ATOM 1462 C THR A 95 11.023 -1.286 3.474 1.00 0.00 C ATOM 1463 O THR A 95 11.797 -1.629 2.603 1.00 0.00 O ATOM 1464 CB THR A 95 9.381 0.577 3.101 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.511 0.993 4.146 1.00 0.00 O ATOM 1466 CG2 THR A 95 8.783 0.961 1.749 1.00 0.00 C ATOM 0 H THR A 95 8.269 -0.620 4.807 1.00 0.00 H new ATOM 0 HA THR A 95 9.321 -1.420 2.216 1.00 0.00 H new ATOM 0 HB THR A 95 10.346 1.068 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.616 1.157 3.781 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.647 2.042 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.456 0.647 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.818 0.469 1.625 1.00 0.00 H new ATOM 1474 N TYR A 96 11.390 -1.204 4.720 1.00 0.00 N ATOM 1475 CA TYR A 96 12.787 -1.532 5.110 1.00 0.00 C ATOM 1476 C TYR A 96 12.987 -3.050 5.083 1.00 0.00 C ATOM 1477 O TYR A 96 14.088 -3.539 4.924 1.00 0.00 O ATOM 1478 CB TYR A 96 12.935 -0.997 6.534 1.00 0.00 C ATOM 1479 CG TYR A 96 13.508 0.401 6.493 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.873 0.590 6.252 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.673 1.507 6.697 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.406 1.884 6.216 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.206 2.802 6.661 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.572 2.990 6.420 1.00 0.00 C ATOM 1485 OH TYR A 96 15.097 4.266 6.386 1.00 0.00 O ATOM 0 H TYR A 96 10.780 -0.923 5.488 1.00 0.00 H new ATOM 0 HA TYR A 96 13.524 -1.097 4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.966 -0.989 7.033 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.587 -1.651 7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.516 -0.263 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.619 1.361 6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.460 2.029 6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.563 3.655 6.819 1.00 0.00 H new ATOM 0 HH TYR A 96 15.206 4.550 5.454 1.00 0.00 H new ATOM 1495 N ALA A 97 11.927 -3.797 5.239 1.00 0.00 N ATOM 1496 CA ALA A 97 12.051 -5.283 5.225 1.00 0.00 C ATOM 1497 C ALA A 97 12.164 -5.797 3.787 1.00 0.00 C ATOM 1498 O ALA A 97 12.893 -6.730 3.509 1.00 0.00 O ATOM 1499 CB ALA A 97 10.767 -5.795 5.878 1.00 0.00 C ATOM 0 H ALA A 97 10.981 -3.442 5.376 1.00 0.00 H new ATOM 0 HA ALA A 97 12.942 -5.625 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.782 -6.885 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.696 -5.408 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.906 -5.458 5.301 1.00 0.00 H new ATOM 1505 N LEU A 98 11.451 -5.201 2.868 1.00 0.00 N ATOM 1506 CA LEU A 98 11.532 -5.670 1.454 1.00 0.00 C ATOM 1507 C LEU A 98 12.780 -5.094 0.780 1.00 0.00 C ATOM 1508 O LEU A 98 13.457 -4.247 1.329 1.00 0.00 O ATOM 1509 CB LEU A 98 10.263 -5.142 0.784 1.00 0.00 C ATOM 1510 CG LEU A 98 9.658 -6.237 -0.097 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.882 -7.225 0.777 1.00 0.00 C ATOM 1512 CD2 LEU A 98 8.706 -5.605 -1.116 1.00 0.00 C ATOM 0 H LEU A 98 10.821 -4.416 3.033 1.00 0.00 H new ATOM 0 HA LEU A 98 11.604 -6.755 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.543 -4.829 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.495 -4.263 0.182 1.00 0.00 H new ATOM 0 HG LEU A 98 10.456 -6.763 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.451 -8.005 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.557 -7.676 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.084 -6.699 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.275 -6.385 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.908 -5.079 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.256 -4.900 -1.739 1.00 0.00 H new ATOM 1524 N LYS A 99 13.094 -5.548 -0.403 1.00 0.00 N ATOM 1525 CA LYS A 99 14.304 -5.026 -1.103 1.00 0.00 C ATOM 1526 C LYS A 99 14.321 -5.499 -2.560 1.00 0.00 C ATOM 1527 O LYS A 99 15.214 -6.208 -2.981 1.00 0.00 O ATOM 1528 CB LYS A 99 15.487 -5.616 -0.334 1.00 0.00 C ATOM 1529 CG LYS A 99 15.373 -7.143 -0.313 1.00 0.00 C ATOM 1530 CD LYS A 99 16.568 -7.734 0.438 1.00 0.00 C ATOM 1531 CE LYS A 99 17.531 -8.374 -0.563 1.00 0.00 C ATOM 1532 NZ LYS A 99 17.007 -9.752 -0.773 1.00 0.00 N ATOM 0 H LYS A 99 12.567 -6.256 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 99 14.331 -3.937 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.425 -5.317 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.502 -5.228 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.443 -7.442 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.343 -7.530 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.079 -6.954 1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.227 -8.478 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.558 -7.815 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.549 -8.394 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.616 -10.256 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.000 -10.262 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.039 -9.702 -1.150 1.00 0.00 H new ATOM 1546 N VAL A 100 13.342 -5.115 -3.332 1.00 0.00 N ATOM 1547 CA VAL A 100 13.304 -5.546 -4.759 1.00 0.00 C ATOM 1548 C VAL A 100 13.394 -7.071 -4.851 1.00 0.00 C ATOM 1549 O VAL A 100 13.830 -7.617 -5.845 1.00 0.00 O ATOM 1550 CB VAL A 100 14.530 -4.900 -5.404 1.00 0.00 C ATOM 1551 CG1 VAL A 100 14.608 -5.309 -6.876 1.00 0.00 C ATOM 1552 CG2 VAL A 100 14.417 -3.378 -5.303 1.00 0.00 C ATOM 0 H VAL A 100 12.567 -4.522 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 100 12.380 -5.249 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 100 15.430 -5.233 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.482 -4.848 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.689 -6.394 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.708 -4.977 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 100 15.291 -2.917 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.517 -3.045 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 100 14.362 -3.086 -4.254 1.00 0.00 H new ATOM 1562 N GLY A 101 12.987 -7.763 -3.822 1.00 0.00 N ATOM 1563 CA GLY A 101 13.053 -9.251 -3.854 1.00 0.00 C ATOM 1564 C GLY A 101 11.662 -9.836 -3.600 1.00 0.00 C ATOM 1565 O GLY A 101 11.350 -10.926 -4.036 1.00 0.00 O ATOM 0 H GLY A 101 12.612 -7.363 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.428 -9.587 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.752 -9.610 -3.099 1.00 0.00 H new ATOM 1569 N ASP A 102 10.823 -9.123 -2.899 1.00 0.00 N ATOM 1570 CA ASP A 102 9.453 -9.645 -2.621 1.00 0.00 C ATOM 1571 C ASP A 102 8.400 -8.609 -3.024 1.00 0.00 C ATOM 1572 O ASP A 102 8.696 -7.637 -3.689 1.00 0.00 O ATOM 1573 CB ASP A 102 9.421 -9.887 -1.111 1.00 0.00 C ATOM 1574 CG ASP A 102 10.115 -11.213 -0.791 1.00 0.00 C ATOM 1575 OD1 ASP A 102 9.543 -12.247 -1.094 1.00 0.00 O ATOM 1576 OD2 ASP A 102 11.206 -11.171 -0.246 1.00 0.00 O ATOM 0 H ASP A 102 11.026 -8.203 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 102 9.234 -10.553 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.919 -9.069 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.390 -9.909 -0.757 1.00 0.00 H new ATOM 1581 N ILE A 103 7.170 -8.809 -2.630 1.00 0.00 N ATOM 1582 CA ILE A 103 6.105 -7.832 -2.997 1.00 0.00 C ATOM 1583 C ILE A 103 5.328 -7.386 -1.754 1.00 0.00 C ATOM 1584 O ILE A 103 4.126 -7.222 -1.791 1.00 0.00 O ATOM 1585 CB ILE A 103 5.188 -8.587 -3.958 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.984 -9.000 -5.199 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.028 -7.679 -4.374 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.022 -9.465 -6.294 1.00 0.00 C ATOM 0 H ILE A 103 6.858 -9.604 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 103 6.518 -6.930 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 103 4.794 -9.476 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.580 -8.161 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.679 -9.801 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.373 -8.217 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.463 -7.382 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.421 -6.791 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.590 -9.759 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.445 -10.317 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.344 -8.651 -6.553 1.00 0.00 H new ATOM 1600 N SER A 104 6.007 -7.179 -0.657 1.00 0.00 N ATOM 1601 CA SER A 104 5.307 -6.734 0.586 1.00 0.00 C ATOM 1602 C SER A 104 4.004 -7.517 0.783 1.00 0.00 C ATOM 1603 O SER A 104 2.975 -7.176 0.233 1.00 0.00 O ATOM 1604 CB SER A 104 5.013 -5.248 0.364 1.00 0.00 C ATOM 1605 OG SER A 104 5.113 -4.948 -1.022 1.00 0.00 O ATOM 0 H SER A 104 7.016 -7.298 -0.567 1.00 0.00 H new ATOM 0 HA SER A 104 5.910 -6.904 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.015 -5.005 0.729 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.717 -4.638 0.931 1.00 0.00 H new ATOM 0 HG SER A 104 4.244 -4.639 -1.353 1.00 0.00 H new ATOM 1611 N ASP A 105 4.038 -8.562 1.567 1.00 0.00 N ATOM 1612 CA ASP A 105 2.797 -9.362 1.799 1.00 0.00 C ATOM 1613 C ASP A 105 1.620 -8.434 2.118 1.00 0.00 C ATOM 1614 O ASP A 105 0.668 -8.344 1.369 1.00 0.00 O ATOM 1615 CB ASP A 105 3.113 -10.282 2.988 1.00 0.00 C ATOM 1616 CG ASP A 105 3.965 -9.540 4.021 1.00 0.00 C ATOM 1617 OD1 ASP A 105 3.941 -8.320 4.013 1.00 0.00 O ATOM 1618 OD2 ASP A 105 4.626 -10.204 4.803 1.00 0.00 O ATOM 0 H ASP A 105 4.868 -8.896 2.056 1.00 0.00 H new ATOM 0 HA ASP A 105 2.512 -9.939 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.186 -10.624 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.642 -11.169 2.640 1.00 0.00 H new ATOM 1623 N ILE A 106 1.685 -7.732 3.214 1.00 0.00 N ATOM 1624 CA ILE A 106 0.578 -6.796 3.574 1.00 0.00 C ATOM 1625 C ILE A 106 1.164 -5.494 4.121 1.00 0.00 C ATOM 1626 O ILE A 106 2.313 -5.434 4.512 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.278 -7.486 4.654 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.480 -8.669 5.298 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.588 -7.973 4.024 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.181 -9.976 4.554 1.00 0.00 C ATOM 0 H ILE A 106 2.458 -7.764 3.879 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.030 -6.558 2.701 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.495 -6.765 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.552 -8.473 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.190 -8.766 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.197 -8.462 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.133 -7.123 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.367 -8.681 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.725 -10.795 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.889 -10.181 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.494 -9.883 3.514 1.00 0.00 H new ATOM 1642 N VAL A 107 0.386 -4.448 4.142 1.00 0.00 N ATOM 1643 CA VAL A 107 0.899 -3.144 4.653 1.00 0.00 C ATOM 1644 C VAL A 107 -0.150 -2.501 5.571 1.00 0.00 C ATOM 1645 O VAL A 107 -0.476 -1.339 5.440 1.00 0.00 O ATOM 1646 CB VAL A 107 1.126 -2.292 3.401 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.118 -1.172 3.719 1.00 0.00 C ATOM 1648 CG2 VAL A 107 1.706 -3.159 2.276 1.00 0.00 C ATOM 0 H VAL A 107 -0.584 -4.439 3.827 1.00 0.00 H new ATOM 0 HA VAL A 107 1.813 -3.249 5.238 1.00 0.00 H new ATOM 0 HB VAL A 107 0.173 -1.869 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.280 -0.565 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.717 -0.546 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.065 -1.605 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.865 -2.546 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.657 -3.584 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.009 -3.964 2.041 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.688 -3.260 6.493 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.727 -2.710 7.417 1.00 0.00 C ATOM 1660 C ASP A 108 -1.165 -1.569 8.264 1.00 0.00 C ATOM 1661 O ASP A 108 -0.493 -1.784 9.254 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.139 -3.888 8.299 1.00 0.00 C ATOM 1663 CG ASP A 108 -0.894 -4.531 8.914 1.00 0.00 C ATOM 1664 OD1 ASP A 108 0.194 -4.056 8.634 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.051 -5.486 9.658 1.00 0.00 O ATOM 0 H ASP A 108 -0.451 -4.240 6.646 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.572 -2.292 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.811 -3.548 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.686 -4.623 7.709 1.00 0.00 H new ATOM 1670 N THR A 109 -1.455 -0.353 7.887 1.00 0.00 N ATOM 1671 CA THR A 109 -0.963 0.817 8.665 1.00 0.00 C ATOM 1672 C THR A 109 -2.024 1.917 8.638 1.00 0.00 C ATOM 1673 O THR A 109 -3.192 1.656 8.425 1.00 0.00 O ATOM 1674 CB THR A 109 0.305 1.279 7.944 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.055 1.936 6.737 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.189 0.071 7.626 1.00 0.00 C ATOM 0 H THR A 109 -2.016 -0.120 7.067 1.00 0.00 H new ATOM 0 HA THR A 109 -0.761 0.574 9.708 1.00 0.00 H new ATOM 0 HB THR A 109 0.857 1.967 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.038 2.906 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.091 0.405 7.113 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.464 -0.432 8.553 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.642 -0.621 6.986 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.636 3.145 8.840 1.00 0.00 N ATOM 1685 CA ASP A 110 -2.638 4.245 8.809 1.00 0.00 C ATOM 1686 C ASP A 110 -3.568 4.058 7.608 1.00 0.00 C ATOM 1687 O ASP A 110 -3.237 3.371 6.662 1.00 0.00 O ATOM 1688 CB ASP A 110 -1.822 5.532 8.662 1.00 0.00 C ATOM 1689 CG ASP A 110 -0.712 5.323 7.630 1.00 0.00 C ATOM 1690 OD1 ASP A 110 0.168 4.518 7.890 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -0.761 5.970 6.597 1.00 0.00 O ATOM 0 H ASP A 110 -0.675 3.433 9.024 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.261 4.266 9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.470 6.352 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.391 5.812 9.623 1.00 0.00 H new ATOM 1696 N SER A 111 -4.726 4.659 7.636 1.00 0.00 N ATOM 1697 CA SER A 111 -5.675 4.512 6.492 1.00 0.00 C ATOM 1698 C SER A 111 -6.236 3.090 6.439 1.00 0.00 C ATOM 1699 O SER A 111 -7.432 2.882 6.480 1.00 0.00 O ATOM 1700 CB SER A 111 -4.849 4.812 5.241 1.00 0.00 C ATOM 1701 OG SER A 111 -3.957 5.884 5.515 1.00 0.00 O ATOM 0 H SER A 111 -5.058 5.246 8.401 1.00 0.00 H new ATOM 0 HA SER A 111 -6.529 5.183 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.290 3.926 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.506 5.073 4.411 1.00 0.00 H new ATOM 0 HG SER A 111 -3.832 6.421 4.705 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.385 2.110 6.347 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.877 0.705 6.291 1.00 0.00 C ATOM 1709 C GLY A 112 -4.749 -0.215 5.831 1.00 0.00 C ATOM 1710 O GLY A 112 -3.601 -0.022 6.175 1.00 0.00 O ATOM 0 H GLY A 112 -4.372 2.219 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.235 0.395 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.722 0.632 5.606 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.064 -1.215 5.054 1.00 0.00 N ATOM 1715 CA VAL A 113 -4.002 -2.142 4.573 1.00 0.00 C ATOM 1716 C VAL A 113 -3.548 -1.737 3.178 1.00 0.00 C ATOM 1717 O VAL A 113 -4.339 -1.609 2.265 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.645 -3.527 4.564 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.922 -3.966 6.002 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.960 -3.472 3.794 1.00 0.00 C ATOM 0 H VAL A 113 -6.008 -1.429 4.732 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.116 -2.122 5.208 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.971 -4.237 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.381 -4.955 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.985 -4.003 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.597 -3.254 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.419 -4.460 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.633 -2.762 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.769 -3.154 2.769 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.275 -1.520 3.011 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.766 -1.105 1.680 1.00 0.00 C ATOM 1732 C HIS A 114 -0.914 -2.214 1.055 1.00 0.00 C ATOM 1733 O HIS A 114 -0.767 -3.287 1.605 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.906 0.137 1.948 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.613 1.068 2.895 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.829 2.403 2.592 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.145 0.877 4.146 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.465 2.960 3.639 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.682 2.073 4.615 1.00 0.00 N ATOM 0 H HIS A 114 -1.567 -1.612 3.739 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.579 -0.901 0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.054 -0.161 2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.696 0.652 1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.147 -0.059 4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.764 3.997 3.685 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.142 2.237 5.511 1.00 0.00 H new ATOM 1747 N ILE A 115 -0.343 -1.943 -0.086 1.00 0.00 N ATOM 1748 CA ILE A 115 0.524 -2.952 -0.768 1.00 0.00 C ATOM 1749 C ILE A 115 1.753 -2.225 -1.325 1.00 0.00 C ATOM 1750 O ILE A 115 1.637 -1.306 -2.109 1.00 0.00 O ATOM 1751 CB ILE A 115 -0.340 -3.604 -1.888 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.385 -3.545 -3.241 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -1.697 -2.901 -2.025 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.404 -4.346 -4.277 1.00 0.00 C ATOM 0 H ILE A 115 -0.440 -1.057 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 115 0.880 -3.734 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.502 -4.644 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.487 -2.510 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.393 -3.949 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.276 -3.379 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -2.240 -2.972 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.540 -1.852 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.110 -4.305 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.483 -5.383 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.403 -3.922 -4.381 1.00 0.00 H new ATOM 1766 N ILE A 116 2.924 -2.612 -0.903 1.00 0.00 N ATOM 1767 CA ILE A 116 4.156 -1.918 -1.379 1.00 0.00 C ATOM 1768 C ILE A 116 4.728 -2.572 -2.640 1.00 0.00 C ATOM 1769 O ILE A 116 4.488 -3.728 -2.925 1.00 0.00 O ATOM 1770 CB ILE A 116 5.151 -2.054 -0.227 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.453 -1.766 1.103 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.300 -1.068 -0.423 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.069 -0.297 1.182 1.00 0.00 C ATOM 0 H ILE A 116 3.083 -3.379 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 116 3.946 -0.881 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 116 5.542 -3.071 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.563 -2.388 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.112 -2.023 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.008 -1.167 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.806 -1.281 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 116 5.907 -0.051 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.573 -0.101 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.966 0.318 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 116 3.393 -0.053 0.363 1.00 0.00 H new ATOM 1785 N LYS A 117 5.505 -1.828 -3.381 1.00 0.00 N ATOM 1786 CA LYS A 117 6.134 -2.374 -4.619 1.00 0.00 C ATOM 1787 C LYS A 117 7.406 -1.575 -4.929 1.00 0.00 C ATOM 1788 O LYS A 117 7.357 -0.386 -5.177 1.00 0.00 O ATOM 1789 CB LYS A 117 5.092 -2.191 -5.726 1.00 0.00 C ATOM 1790 CG LYS A 117 5.238 -3.311 -6.758 1.00 0.00 C ATOM 1791 CD LYS A 117 4.892 -4.654 -6.114 1.00 0.00 C ATOM 1792 CE LYS A 117 5.840 -5.731 -6.645 1.00 0.00 C ATOM 1793 NZ LYS A 117 7.120 -5.507 -5.916 1.00 0.00 N ATOM 0 H LYS A 117 5.733 -0.855 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 117 6.418 -3.422 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.089 -2.203 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.223 -1.221 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.581 -3.124 -7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 117 6.258 -3.333 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.976 -4.582 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.859 -4.921 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.448 -6.730 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.978 -5.640 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.753 -6.318 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.575 -4.642 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.927 -5.404 -4.899 1.00 0.00 H new ATOM 1807 N ARG A 118 8.544 -2.213 -4.899 1.00 0.00 N ATOM 1808 CA ARG A 118 9.816 -1.482 -5.175 1.00 0.00 C ATOM 1809 C ARG A 118 10.250 -1.681 -6.630 1.00 0.00 C ATOM 1810 O ARG A 118 9.436 -1.771 -7.527 1.00 0.00 O ATOM 1811 CB ARG A 118 10.841 -2.099 -4.224 1.00 0.00 C ATOM 1812 CG ARG A 118 11.837 -1.024 -3.785 1.00 0.00 C ATOM 1813 CD ARG A 118 11.366 -0.399 -2.471 1.00 0.00 C ATOM 1814 NE ARG A 118 11.921 -1.282 -1.408 1.00 0.00 N ATOM 1815 CZ ARG A 118 13.010 -0.937 -0.776 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.178 -1.251 -1.264 1.00 0.00 N ATOM 1817 NH2 ARG A 118 12.930 -0.278 0.346 1.00 0.00 N ATOM 0 H ARG A 118 8.649 -3.207 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 118 9.709 -0.408 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.338 -2.522 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.366 -2.917 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.827 -1.461 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.923 -0.257 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.730 0.623 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.278 -0.356 -2.421 1.00 0.00 H new ATOM 0 HE ARG A 118 11.450 -2.156 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.242 -1.767 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.027 -0.980 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.017 -0.032 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.780 -0.008 0.841 1.00 0.00 H new ATOM 1831 N THR A 119 11.533 -1.745 -6.867 1.00 0.00 N ATOM 1832 CA THR A 119 12.032 -1.932 -8.261 1.00 0.00 C ATOM 1833 C THR A 119 12.132 -3.422 -8.603 1.00 0.00 C ATOM 1834 O THR A 119 12.974 -3.834 -9.376 1.00 0.00 O ATOM 1835 CB THR A 119 13.419 -1.288 -8.266 1.00 0.00 C ATOM 1836 OG1 THR A 119 13.461 -0.251 -7.295 1.00 0.00 O ATOM 1837 CG2 THR A 119 13.708 -0.706 -9.650 1.00 0.00 C ATOM 0 H THR A 119 12.259 -1.676 -6.154 1.00 0.00 H new ATOM 0 HA THR A 119 11.366 -1.487 -9.000 1.00 0.00 H new ATOM 0 HB THR A 119 14.171 -2.040 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.350 0.162 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 119 14.697 -0.247 -9.653 1.00 0.00 H new ATOM 0 HG22 THR A 119 13.676 -1.502 -10.394 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.958 0.047 -9.892 1.00 0.00 H new ATOM 1845 N ALA A 120 11.281 -4.233 -8.037 1.00 0.00 N ATOM 1846 CA ALA A 120 11.334 -5.692 -8.337 1.00 0.00 C ATOM 1847 C ALA A 120 10.430 -6.020 -9.529 1.00 0.00 C ATOM 1848 O ALA A 120 10.591 -7.088 -10.094 1.00 0.00 O ATOM 1849 CB ALA A 120 10.821 -6.377 -7.069 1.00 0.00 C ATOM 1850 OXT ALA A 120 9.592 -5.195 -9.856 1.00 0.00 O ATOM 0 H ALA A 120 10.553 -3.950 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 120 12.339 -6.023 -8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.829 -7.458 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.464 -6.116 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.803 -6.046 -6.863 1.00 0.00 H new