USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 662 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 8 ASN : amide:sc= -2.2! C(o=-1.6!,f=-3.4!) USER MOD Set 1.2: A 9 ASN : amide:sc= 0.65 K(o=-1.6,f=-3.4) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0.327 (180deg=0.322) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0.164 (180deg=0.109) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -175:sc= -1.37 (180deg=-1.45) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -172:sc= -0.125 (180deg=-0.288) USER MOD Single : A 28 GLN : amide:sc= -0.0605 X(o=-0.06,f=-0.06) USER MOD Single : A 34 GLN : amide:sc= -0.502 K(o=-0.5,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.412 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0655) USER MOD Single : A 45 TYR OH : rot -149:sc= 0.836 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.367 K(o=0.37,f=-4.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.15! K(o=-2.1!,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 76 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.35) USER MOD Single : A 82 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 7 10.497 13.371 -6.728 1.00 0.00 N ATOM 98 CA LEU A 7 9.667 14.554 -7.023 1.00 0.00 C ATOM 99 C LEU A 7 10.548 15.798 -6.789 1.00 0.00 C ATOM 100 O LEU A 7 10.649 16.297 -5.659 1.00 0.00 O ATOM 101 CB LEU A 7 8.364 14.513 -6.139 1.00 0.00 C ATOM 102 CG LEU A 7 7.221 15.569 -6.439 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.810 14.981 -6.147 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.409 16.880 -5.637 1.00 0.00 C ATOM 0 HA LEU A 7 9.320 14.578 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.930 13.517 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.664 14.634 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 7 7.297 15.803 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.051 15.732 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.644 14.105 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.746 14.693 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.602 17.572 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.393 16.659 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.365 17.333 -5.900 1.00 0.00 H new ATOM 116 N ASN A 8 11.258 16.237 -7.858 1.00 0.00 N ATOM 117 CA ASN A 8 12.270 17.316 -7.769 1.00 0.00 C ATOM 118 C ASN A 8 11.617 18.707 -7.760 1.00 0.00 C ATOM 119 O ASN A 8 11.722 19.435 -6.767 1.00 0.00 O ATOM 120 CB ASN A 8 13.347 17.185 -8.896 1.00 0.00 C ATOM 121 CG ASN A 8 12.796 17.022 -10.325 1.00 0.00 C ATOM 122 OD1 ASN A 8 12.538 15.912 -10.773 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.633 18.119 -11.052 1.00 0.00 N ATOM 0 H ASN A 8 11.146 15.856 -8.798 1.00 0.00 H new ATOM 0 HA ASN A 8 12.786 17.201 -6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.984 18.069 -8.870 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.981 16.328 -8.670 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.285 18.050 -12.008 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.855 19.032 -10.655 1.00 0.00 H new ATOM 130 N ASN A 9 10.935 19.068 -8.858 1.00 0.00 N ATOM 131 CA ASN A 9 10.243 20.362 -8.996 1.00 0.00 C ATOM 132 C ASN A 9 8.749 20.102 -9.153 1.00 0.00 C ATOM 133 O ASN A 9 8.289 19.785 -10.255 1.00 0.00 O ATOM 134 CB ASN A 9 10.792 21.190 -10.195 1.00 0.00 C ATOM 135 CG ASN A 9 12.229 21.677 -9.978 1.00 0.00 C ATOM 136 OD1 ASN A 9 13.192 21.009 -10.356 1.00 0.00 O ATOM 137 ND2 ASN A 9 12.383 22.832 -9.342 1.00 0.00 N ATOM 0 H ASN A 9 10.847 18.469 -9.679 1.00 0.00 H new ATOM 0 HA ASN A 9 10.424 20.956 -8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.753 20.581 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.144 22.050 -10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.320 23.190 -9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.565 23.362 -9.042 1.00 0.00 H new ATOM 144 N GLU A 10 8.011 20.214 -8.023 1.00 0.00 N ATOM 145 CA GLU A 10 6.538 20.071 -7.959 1.00 0.00 C ATOM 146 C GLU A 10 5.854 20.923 -9.041 1.00 0.00 C ATOM 147 O GLU A 10 4.893 20.486 -9.656 1.00 0.00 O ATOM 148 CB GLU A 10 6.047 20.503 -6.555 1.00 0.00 C ATOM 149 CG GLU A 10 4.533 20.352 -6.311 1.00 0.00 C ATOM 150 CD GLU A 10 4.103 20.784 -4.902 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.138 19.951 -3.971 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.762 21.971 -4.710 1.00 0.00 O ATOM 0 H GLU A 10 8.431 20.410 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 10 6.277 19.028 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.579 19.917 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.321 21.546 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.992 20.946 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.248 19.312 -6.468 1.00 0.00 H new ATOM 159 N GLU A 11 6.437 22.110 -9.266 1.00 0.00 N ATOM 160 CA GLU A 11 6.022 23.108 -10.273 1.00 0.00 C ATOM 161 C GLU A 11 5.713 22.474 -11.648 1.00 0.00 C ATOM 162 O GLU A 11 4.677 22.762 -12.256 1.00 0.00 O ATOM 163 CB GLU A 11 7.176 24.135 -10.420 1.00 0.00 C ATOM 164 CG GLU A 11 7.618 24.789 -9.092 1.00 0.00 C ATOM 165 CD GLU A 11 8.970 25.496 -9.206 1.00 0.00 C ATOM 166 OE1 GLU A 11 10.007 24.828 -9.015 1.00 0.00 O ATOM 167 OE2 GLU A 11 9.003 26.704 -9.514 1.00 0.00 O ATOM 0 H GLU A 11 7.247 22.418 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 11 5.101 23.582 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.035 23.637 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.864 24.918 -11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.862 25.508 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.676 24.025 -8.317 1.00 0.00 H new ATOM 174 N LYS A 12 6.614 21.586 -12.100 1.00 0.00 N ATOM 175 CA LYS A 12 6.509 20.919 -13.411 1.00 0.00 C ATOM 176 C LYS A 12 5.338 19.925 -13.426 1.00 0.00 C ATOM 177 O LYS A 12 4.612 19.823 -14.423 1.00 0.00 O ATOM 178 CB LYS A 12 7.835 20.196 -13.762 1.00 0.00 C ATOM 179 CG LYS A 12 9.074 21.123 -13.771 1.00 0.00 C ATOM 180 CD LYS A 12 10.361 20.419 -14.259 1.00 0.00 C ATOM 181 CE LYS A 12 10.270 19.947 -15.722 1.00 0.00 C ATOM 182 NZ LYS A 12 11.528 19.299 -16.170 1.00 0.00 N ATOM 0 H LYS A 12 7.438 21.309 -11.566 1.00 0.00 H new ATOM 0 HA LYS A 12 6.319 21.683 -14.165 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.000 19.393 -13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.735 19.731 -14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.872 21.981 -14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.238 21.508 -12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.204 21.102 -14.155 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.565 19.561 -13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.442 19.246 -15.827 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.050 20.799 -16.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.447 19.040 -17.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.322 19.959 -16.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.698 18.443 -15.605 1.00 0.00 H new ATOM 196 N LEU A 13 5.170 19.212 -12.300 1.00 0.00 N ATOM 197 CA LEU A 13 4.074 18.249 -12.110 1.00 0.00 C ATOM 198 C LEU A 13 2.710 18.969 -12.115 1.00 0.00 C ATOM 199 O LEU A 13 1.723 18.455 -12.643 1.00 0.00 O ATOM 200 CB LEU A 13 4.254 17.452 -10.793 1.00 0.00 C ATOM 201 CG LEU A 13 5.421 16.406 -10.771 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.808 17.049 -10.604 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.186 15.321 -9.715 1.00 0.00 C ATOM 0 H LEU A 13 5.792 19.288 -11.495 1.00 0.00 H new ATOM 0 HA LEU A 13 4.101 17.545 -12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.415 18.162 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.322 16.930 -10.579 1.00 0.00 H new ATOM 0 HG LEU A 13 5.416 15.933 -11.753 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.571 16.271 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.994 17.732 -11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.843 17.600 -9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.015 14.614 -9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.118 15.781 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.257 14.795 -9.934 1.00 0.00 H new ATOM 215 N VAL A 14 2.691 20.173 -11.523 1.00 0.00 N ATOM 216 CA VAL A 14 1.504 21.039 -11.475 1.00 0.00 C ATOM 217 C VAL A 14 1.096 21.453 -12.890 1.00 0.00 C ATOM 218 O VAL A 14 -0.060 21.285 -13.269 1.00 0.00 O ATOM 219 CB VAL A 14 1.768 22.314 -10.591 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.559 23.287 -10.579 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.157 21.897 -9.164 1.00 0.00 C ATOM 0 H VAL A 14 3.506 20.576 -11.060 1.00 0.00 H new ATOM 0 HA VAL A 14 0.690 20.474 -11.020 1.00 0.00 H new ATOM 0 HB VAL A 14 2.599 22.858 -11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.792 24.150 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.350 23.620 -11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.316 22.775 -10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.337 22.787 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.348 21.317 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.062 21.291 -9.196 1.00 0.00 H new ATOM 231 N LYS A 15 2.074 21.957 -13.669 1.00 0.00 N ATOM 232 CA LYS A 15 1.854 22.410 -15.058 1.00 0.00 C ATOM 233 C LYS A 15 1.378 21.251 -15.957 1.00 0.00 C ATOM 234 O LYS A 15 0.512 21.442 -16.818 1.00 0.00 O ATOM 235 CB LYS A 15 3.141 23.030 -15.648 1.00 0.00 C ATOM 236 CG LYS A 15 3.660 24.289 -14.920 1.00 0.00 C ATOM 237 CD LYS A 15 4.880 24.932 -15.632 1.00 0.00 C ATOM 238 CE LYS A 15 6.029 23.935 -15.876 1.00 0.00 C ATOM 239 NZ LYS A 15 7.171 24.564 -16.589 1.00 0.00 N ATOM 0 H LYS A 15 3.038 22.062 -13.353 1.00 0.00 H new ATOM 0 HA LYS A 15 1.074 23.171 -15.030 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.927 22.274 -15.637 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.957 23.284 -16.692 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.856 25.022 -14.852 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.938 24.025 -13.899 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.559 25.348 -16.587 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.249 25.763 -15.030 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.373 23.537 -14.921 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.659 23.091 -16.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.922 23.859 -16.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.850 24.921 -17.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.542 25.353 -16.022 1.00 0.00 H new ATOM 253 N LYS A 16 1.942 20.053 -15.731 1.00 0.00 N ATOM 254 CA LYS A 16 1.563 18.837 -16.466 1.00 0.00 C ATOM 255 C LYS A 16 0.131 18.405 -16.093 1.00 0.00 C ATOM 256 O LYS A 16 -0.613 17.893 -16.927 1.00 0.00 O ATOM 257 CB LYS A 16 2.570 17.691 -16.187 1.00 0.00 C ATOM 258 CG LYS A 16 2.336 16.397 -17.007 1.00 0.00 C ATOM 259 CD LYS A 16 2.392 16.623 -18.534 1.00 0.00 C ATOM 260 CE LYS A 16 3.794 16.998 -19.044 1.00 0.00 C ATOM 261 NZ LYS A 16 3.782 17.294 -20.502 1.00 0.00 N ATOM 0 H LYS A 16 2.672 19.901 -15.035 1.00 0.00 H new ATOM 0 HA LYS A 16 1.588 19.060 -17.533 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.577 18.055 -16.391 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.530 17.443 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.087 15.658 -16.728 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.364 15.979 -16.744 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.059 15.717 -19.041 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.692 17.414 -18.803 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.161 17.867 -18.498 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.486 16.180 -18.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.759 17.343 -20.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.270 16.541 -21.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.308 18.205 -20.667 1.00 0.00 H new ATOM 275 N ALA A 17 -0.240 18.648 -14.829 1.00 0.00 N ATOM 276 CA ALA A 17 -1.598 18.398 -14.330 1.00 0.00 C ATOM 277 C ALA A 17 -2.581 19.450 -14.878 1.00 0.00 C ATOM 278 O ALA A 17 -3.772 19.181 -14.985 1.00 0.00 O ATOM 279 CB ALA A 17 -1.608 18.371 -12.799 1.00 0.00 C ATOM 0 H ALA A 17 0.394 19.024 -14.123 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.926 17.421 -14.686 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.622 18.185 -12.445 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.949 17.579 -12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.261 19.330 -12.416 1.00 0.00 H new ATOM 285 N LEU A 18 -2.065 20.653 -15.226 1.00 0.00 N ATOM 286 CA LEU A 18 -2.868 21.699 -15.896 1.00 0.00 C ATOM 287 C LEU A 18 -3.164 21.276 -17.340 1.00 0.00 C ATOM 288 O LEU A 18 -4.244 21.549 -17.870 1.00 0.00 O ATOM 289 CB LEU A 18 -2.169 23.094 -15.880 1.00 0.00 C ATOM 290 CG LEU A 18 -1.718 23.635 -14.486 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.153 25.070 -14.578 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.841 23.533 -13.442 1.00 0.00 C ATOM 0 H LEU A 18 -1.096 20.921 -15.053 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.799 21.803 -15.338 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.292 23.043 -16.525 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.849 23.821 -16.324 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.905 22.993 -14.147 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.852 25.407 -13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.289 25.079 -15.242 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.919 25.738 -14.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.486 23.920 -12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.700 24.117 -13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.135 22.490 -13.325 1.00 0.00 H new ATOM 304 N GLU A 19 -2.177 20.607 -17.969 1.00 0.00 N ATOM 305 CA GLU A 19 -2.308 20.076 -19.335 1.00 0.00 C ATOM 306 C GLU A 19 -3.326 18.921 -19.387 1.00 0.00 C ATOM 307 O GLU A 19 -4.313 18.997 -20.121 1.00 0.00 O ATOM 308 CB GLU A 19 -0.927 19.610 -19.864 1.00 0.00 C ATOM 309 CG GLU A 19 0.129 20.725 -19.951 1.00 0.00 C ATOM 310 CD GLU A 19 1.481 20.246 -20.507 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.635 20.179 -21.745 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.395 19.943 -19.718 1.00 0.00 O ATOM 0 H GLU A 19 -1.269 20.421 -17.543 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.678 20.876 -19.977 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.551 18.820 -19.215 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.059 19.173 -20.854 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.252 21.527 -20.584 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.282 21.148 -18.958 1.00 0.00 H new ATOM 319 N ILE A 20 -3.078 17.870 -18.583 1.00 0.00 N ATOM 320 CA ILE A 20 -3.899 16.646 -18.571 1.00 0.00 C ATOM 321 C ILE A 20 -5.274 16.919 -17.936 1.00 0.00 C ATOM 322 O ILE A 20 -6.304 16.571 -18.505 1.00 0.00 O ATOM 323 CB ILE A 20 -3.164 15.465 -17.826 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.726 15.231 -18.409 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.000 14.161 -17.869 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.667 14.898 -19.894 1.00 0.00 C ATOM 0 H ILE A 20 -2.301 17.846 -17.923 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.052 16.340 -19.606 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.057 15.756 -16.781 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.131 16.127 -18.231 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.255 14.420 -17.854 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.465 13.368 -17.347 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.962 14.329 -17.385 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.163 13.867 -18.906 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.629 14.756 -20.194 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.228 13.983 -20.084 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.102 15.716 -20.468 1.00 0.00 H new ATOM 338 N GLY A 21 -5.271 17.562 -16.760 1.00 0.00 N ATOM 339 CA GLY A 21 -6.507 17.935 -16.070 1.00 0.00 C ATOM 340 C GLY A 21 -7.326 18.963 -16.850 1.00 0.00 C ATOM 341 O GLY A 21 -8.552 18.937 -16.798 1.00 0.00 O ATOM 0 H GLY A 21 -4.420 17.834 -16.267 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.111 17.043 -15.906 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.263 18.339 -15.088 1.00 0.00 H new ATOM 345 N GLY A 22 -6.631 19.865 -17.571 1.00 0.00 N ATOM 346 CA GLY A 22 -7.290 20.884 -18.400 1.00 0.00 C ATOM 347 C GLY A 22 -7.987 20.301 -19.630 1.00 0.00 C ATOM 348 O GLY A 22 -9.153 20.631 -19.900 1.00 0.00 O ATOM 0 H GLY A 22 -5.612 19.905 -17.593 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.022 21.418 -17.794 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.549 21.615 -18.723 1.00 0.00 H new ATOM 352 N LYS A 23 -7.274 19.424 -20.381 1.00 0.00 N ATOM 353 CA LYS A 23 -7.825 18.790 -21.608 1.00 0.00 C ATOM 354 C LYS A 23 -8.961 17.821 -21.243 1.00 0.00 C ATOM 355 O LYS A 23 -9.963 17.736 -21.958 1.00 0.00 O ATOM 356 CB LYS A 23 -6.738 18.028 -22.436 1.00 0.00 C ATOM 357 CG LYS A 23 -6.045 16.863 -21.677 1.00 0.00 C ATOM 358 CD LYS A 23 -5.779 15.612 -22.540 1.00 0.00 C ATOM 359 CE LYS A 23 -5.115 14.485 -21.729 1.00 0.00 C ATOM 360 NZ LYS A 23 -4.923 13.247 -22.522 1.00 0.00 N ATOM 0 H LYS A 23 -6.320 19.140 -20.160 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.207 19.598 -22.232 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.201 17.631 -23.340 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.977 18.740 -22.754 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.097 17.220 -21.274 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.666 16.579 -20.827 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.719 15.253 -22.958 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.139 15.880 -23.380 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.149 14.829 -21.360 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.728 14.261 -20.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.473 12.521 -21.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.846 12.900 -22.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.316 13.450 -23.341 1.00 0.00 H new ATOM 374 N MET A 24 -8.797 17.092 -20.116 1.00 0.00 N ATOM 375 CA MET A 24 -9.820 16.161 -19.624 1.00 0.00 C ATOM 376 C MET A 24 -11.068 16.931 -19.202 1.00 0.00 C ATOM 377 O MET A 24 -12.168 16.525 -19.546 1.00 0.00 O ATOM 378 CB MET A 24 -9.315 15.295 -18.449 1.00 0.00 C ATOM 379 CG MET A 24 -8.350 14.165 -18.824 1.00 0.00 C ATOM 380 SD MET A 24 -8.169 12.946 -17.498 1.00 0.00 S ATOM 381 CE MET A 24 -7.845 13.991 -16.076 1.00 0.00 C ATOM 0 H MET A 24 -7.961 17.136 -19.533 1.00 0.00 H new ATOM 0 HA MET A 24 -10.061 15.485 -20.445 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.821 15.946 -17.728 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.178 14.859 -17.946 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.709 13.668 -19.725 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.374 14.588 -19.061 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.626 13.368 -15.209 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.991 14.635 -16.285 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.721 14.605 -15.869 1.00 0.00 H new ATOM 391 N ALA A 25 -10.870 18.046 -18.460 1.00 0.00 N ATOM 392 CA ALA A 25 -11.964 18.940 -18.029 1.00 0.00 C ATOM 393 C ALA A 25 -12.786 19.384 -19.232 1.00 0.00 C ATOM 394 O ALA A 25 -14.014 19.283 -19.227 1.00 0.00 O ATOM 395 CB ALA A 25 -11.413 20.163 -17.268 1.00 0.00 C ATOM 0 H ALA A 25 -9.948 18.348 -18.145 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.610 18.385 -17.348 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.240 20.804 -16.962 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.869 19.827 -16.385 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.740 20.723 -17.918 1.00 0.00 H new ATOM 401 N LYS A 26 -12.062 19.809 -20.278 1.00 0.00 N ATOM 402 CA LYS A 26 -12.645 20.260 -21.541 1.00 0.00 C ATOM 403 C LYS A 26 -13.582 19.192 -22.123 1.00 0.00 C ATOM 404 O LYS A 26 -14.784 19.445 -22.287 1.00 0.00 O ATOM 405 CB LYS A 26 -11.520 20.622 -22.541 1.00 0.00 C ATOM 406 CG LYS A 26 -12.008 21.236 -23.877 1.00 0.00 C ATOM 407 CD LYS A 26 -10.837 21.704 -24.773 1.00 0.00 C ATOM 408 CE LYS A 26 -9.947 22.742 -24.071 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.854 23.230 -24.944 1.00 0.00 N ATOM 0 H LYS A 26 -11.043 19.848 -20.266 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.242 21.153 -21.354 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.840 21.326 -22.061 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.945 19.722 -22.760 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.603 20.499 -24.417 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.662 22.082 -23.667 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.233 20.843 -25.057 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.235 22.132 -25.693 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.559 23.586 -23.753 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.520 22.301 -23.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.282 23.927 -24.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.253 22.430 -25.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.259 23.675 -25.792 1.00 0.00 H new ATOM 423 N MET A 27 -13.026 17.979 -22.320 1.00 0.00 N ATOM 424 CA MET A 27 -13.735 16.831 -22.920 1.00 0.00 C ATOM 425 C MET A 27 -14.927 16.362 -22.052 1.00 0.00 C ATOM 426 O MET A 27 -15.955 15.928 -22.588 1.00 0.00 O ATOM 427 CB MET A 27 -12.746 15.657 -23.150 1.00 0.00 C ATOM 428 CG MET A 27 -11.641 15.949 -24.182 1.00 0.00 C ATOM 429 SD MET A 27 -10.569 14.528 -24.516 1.00 0.00 S ATOM 430 CE MET A 27 -9.765 14.283 -22.930 1.00 0.00 C ATOM 0 H MET A 27 -12.062 17.767 -22.064 1.00 0.00 H new ATOM 0 HA MET A 27 -14.140 17.160 -23.877 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.279 15.399 -22.199 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.309 14.782 -23.476 1.00 0.00 H new ATOM 0 HG2 MET A 27 -12.103 16.273 -25.115 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.031 16.778 -23.824 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.979 13.535 -23.032 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.330 15.224 -22.594 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.498 13.941 -22.199 1.00 0.00 H new ATOM 440 N GLN A 28 -14.771 16.455 -20.713 1.00 0.00 N ATOM 441 CA GLN A 28 -15.833 16.097 -19.746 1.00 0.00 C ATOM 442 C GLN A 28 -16.994 17.099 -19.839 1.00 0.00 C ATOM 443 O GLN A 28 -18.151 16.742 -19.602 1.00 0.00 O ATOM 444 CB GLN A 28 -15.287 16.042 -18.287 1.00 0.00 C ATOM 445 CG GLN A 28 -14.297 14.894 -17.988 1.00 0.00 C ATOM 446 CD GLN A 28 -14.888 13.498 -18.191 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.508 12.937 -17.290 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.659 12.908 -19.352 1.00 0.00 N ATOM 0 H GLN A 28 -13.909 16.779 -20.273 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.195 15.102 -20.004 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.795 16.989 -18.066 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.133 15.956 -17.605 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.423 15.005 -18.630 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.950 14.985 -16.959 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.141 13.400 -20.081 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.000 11.961 -19.519 1.00 0.00 H new ATOM 457 N GLY A 29 -16.668 18.354 -20.194 1.00 0.00 N ATOM 458 CA GLY A 29 -17.672 19.392 -20.433 1.00 0.00 C ATOM 459 C GLY A 29 -17.335 20.700 -19.742 1.00 0.00 C ATOM 460 O GLY A 29 -18.190 21.282 -19.064 1.00 0.00 O ATOM 0 H GLY A 29 -15.707 18.671 -20.321 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.762 19.565 -21.505 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.643 19.040 -20.084 1.00 0.00 H new ATOM 464 N PHE A 30 -16.087 21.177 -19.925 1.00 0.00 N ATOM 465 CA PHE A 30 -15.593 22.441 -19.298 1.00 0.00 C ATOM 466 C PHE A 30 -14.662 23.203 -20.266 1.00 0.00 C ATOM 467 O PHE A 30 -14.499 22.820 -21.425 1.00 0.00 O ATOM 468 CB PHE A 30 -14.818 22.147 -17.970 1.00 0.00 C ATOM 469 CG PHE A 30 -15.645 21.527 -16.844 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.523 22.308 -16.092 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.540 20.167 -16.532 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.264 21.753 -15.067 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.282 19.615 -15.505 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.147 20.407 -14.777 1.00 0.00 C ATOM 0 H PHE A 30 -15.391 20.709 -20.505 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.465 23.055 -19.073 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.987 21.479 -18.196 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.387 23.080 -17.608 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.625 23.360 -16.314 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.870 19.540 -17.102 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.936 22.372 -14.491 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.185 18.565 -15.272 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.733 19.974 -13.980 1.00 0.00 H new ATOM 484 N ASP A 31 -14.108 24.318 -19.766 1.00 0.00 N ATOM 485 CA ASP A 31 -12.939 25.002 -20.333 1.00 0.00 C ATOM 486 C ASP A 31 -12.411 25.933 -19.237 1.00 0.00 C ATOM 487 O ASP A 31 -13.015 26.974 -18.956 1.00 0.00 O ATOM 488 CB ASP A 31 -13.263 25.799 -21.628 1.00 0.00 C ATOM 489 CG ASP A 31 -11.990 26.358 -22.304 1.00 0.00 C ATOM 490 OD1 ASP A 31 -11.551 27.483 -21.961 1.00 0.00 O ATOM 491 OD2 ASP A 31 -11.408 25.663 -23.168 1.00 0.00 O ATOM 0 H ASP A 31 -14.472 24.780 -18.933 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.196 24.265 -20.636 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.790 25.151 -22.329 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.936 26.622 -21.387 1.00 0.00 H new ATOM 496 N LEU A 32 -11.314 25.522 -18.594 1.00 0.00 N ATOM 497 CA LEU A 32 -10.753 26.226 -17.432 1.00 0.00 C ATOM 498 C LEU A 32 -10.030 27.521 -17.882 1.00 0.00 C ATOM 499 O LEU A 32 -9.463 27.541 -18.986 1.00 0.00 O ATOM 500 CB LEU A 32 -9.793 25.262 -16.677 1.00 0.00 C ATOM 501 CG LEU A 32 -10.410 23.882 -16.267 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.366 22.998 -15.561 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.681 24.058 -15.395 1.00 0.00 C ATOM 0 H LEU A 32 -10.788 24.691 -18.863 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.552 26.525 -16.754 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.922 25.079 -17.306 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.437 25.763 -15.777 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.715 23.375 -17.182 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.821 22.046 -15.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.527 22.819 -16.233 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.010 23.502 -14.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.080 23.078 -15.131 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.426 24.603 -14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.432 24.616 -15.954 1.00 0.00 H new ATOM 515 N PRO A 33 -10.056 28.624 -17.053 1.00 0.00 N ATOM 516 CA PRO A 33 -9.350 29.901 -17.373 1.00 0.00 C ATOM 517 C PRO A 33 -7.825 29.692 -17.555 1.00 0.00 C ATOM 518 O PRO A 33 -7.267 28.724 -17.029 1.00 0.00 O ATOM 519 CB PRO A 33 -9.679 30.815 -16.160 1.00 0.00 C ATOM 520 CG PRO A 33 -10.088 29.872 -15.065 1.00 0.00 C ATOM 521 CD PRO A 33 -10.777 28.721 -15.754 1.00 0.00 C ATOM 0 HA PRO A 33 -9.673 30.334 -18.320 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.813 31.409 -15.867 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.480 31.515 -16.398 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.221 29.528 -14.500 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.757 30.361 -14.356 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.695 27.799 -15.178 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.840 28.915 -15.897 1.00 0.00 H new ATOM 529 N GLN A 34 -7.164 30.604 -18.295 1.00 0.00 N ATOM 530 CA GLN A 34 -5.759 30.416 -18.724 1.00 0.00 C ATOM 531 C GLN A 34 -4.860 31.632 -18.408 1.00 0.00 C ATOM 532 O GLN A 34 -3.706 31.462 -17.981 1.00 0.00 O ATOM 533 CB GLN A 34 -5.722 30.080 -20.241 1.00 0.00 C ATOM 534 CG GLN A 34 -6.403 31.121 -21.163 1.00 0.00 C ATOM 535 CD GLN A 34 -6.328 30.796 -22.664 1.00 0.00 C ATOM 536 OE1 GLN A 34 -7.249 31.113 -23.421 1.00 0.00 O ATOM 537 NE2 GLN A 34 -5.225 30.208 -23.115 1.00 0.00 N ATOM 0 H GLN A 34 -7.579 31.481 -18.610 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.350 29.584 -18.150 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.682 29.972 -20.548 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.202 29.113 -20.395 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.451 31.210 -20.876 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.942 32.094 -20.992 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.479 29.957 -22.466 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.124 30.008 -24.110 1.00 0.00 H new ATOM 546 N SER A 35 -5.390 32.849 -18.606 1.00 0.00 N ATOM 547 CA SER A 35 -4.578 34.085 -18.616 1.00 0.00 C ATOM 548 C SER A 35 -4.086 34.574 -17.209 1.00 0.00 C ATOM 549 O SER A 35 -2.883 34.846 -17.082 1.00 0.00 O ATOM 550 CB SER A 35 -5.318 35.209 -19.390 1.00 0.00 C ATOM 551 OG SER A 35 -6.656 35.378 -18.944 1.00 0.00 O ATOM 0 H SER A 35 -6.385 33.008 -18.763 1.00 0.00 H new ATOM 0 HA SER A 35 -3.658 33.827 -19.140 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.776 36.147 -19.271 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.319 34.975 -20.455 1.00 0.00 H new ATOM 0 HG SER A 35 -7.083 36.096 -19.456 1.00 0.00 H new ATOM 557 N PRO A 36 -4.950 34.690 -16.124 1.00 0.00 N ATOM 558 CA PRO A 36 -4.515 35.336 -14.845 1.00 0.00 C ATOM 559 C PRO A 36 -3.507 34.488 -14.014 1.00 0.00 C ATOM 560 O PRO A 36 -2.931 35.012 -13.062 1.00 0.00 O ATOM 561 CB PRO A 36 -5.848 35.570 -14.100 1.00 0.00 C ATOM 562 CG PRO A 36 -6.720 34.460 -14.567 1.00 0.00 C ATOM 563 CD PRO A 36 -6.366 34.228 -16.025 1.00 0.00 C ATOM 0 HA PRO A 36 -3.953 36.252 -15.025 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.711 35.543 -13.019 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.276 36.543 -14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.552 33.559 -13.977 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.773 34.720 -14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.464 33.177 -16.299 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.019 34.793 -16.690 1.00 0.00 H new ATOM 571 N GLN A 37 -3.333 33.192 -14.403 1.00 0.00 N ATOM 572 CA GLN A 37 -2.260 32.240 -13.945 1.00 0.00 C ATOM 573 C GLN A 37 -2.694 31.237 -12.805 1.00 0.00 C ATOM 574 O GLN A 37 -2.998 30.084 -13.132 1.00 0.00 O ATOM 575 CB GLN A 37 -0.866 32.914 -13.678 1.00 0.00 C ATOM 576 CG GLN A 37 -0.234 33.622 -14.899 1.00 0.00 C ATOM 577 CD GLN A 37 1.092 34.334 -14.583 1.00 0.00 C ATOM 578 OE1 GLN A 37 1.326 34.762 -13.450 1.00 0.00 O ATOM 579 NE2 GLN A 37 1.955 34.476 -15.573 1.00 0.00 N ATOM 0 H GLN A 37 -3.963 32.756 -15.076 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.111 31.606 -14.819 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.980 33.642 -12.875 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.174 32.151 -13.321 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.063 32.887 -15.686 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.943 34.351 -15.292 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.733 34.111 -16.499 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.843 34.950 -15.411 1.00 0.00 H new ATOM 588 N PRO A 38 -2.766 31.602 -11.458 1.00 0.00 N ATOM 589 CA PRO A 38 -2.943 30.578 -10.358 1.00 0.00 C ATOM 590 C PRO A 38 -4.352 29.941 -10.320 1.00 0.00 C ATOM 591 O PRO A 38 -4.571 28.928 -9.638 1.00 0.00 O ATOM 592 CB PRO A 38 -2.668 31.398 -9.083 1.00 0.00 C ATOM 593 CG PRO A 38 -3.161 32.767 -9.439 1.00 0.00 C ATOM 594 CD PRO A 38 -2.735 32.980 -10.874 1.00 0.00 C ATOM 0 HA PRO A 38 -2.282 29.722 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.198 30.991 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.608 31.406 -8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.244 32.835 -9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.730 33.524 -8.784 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.414 33.653 -11.398 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.739 33.419 -10.936 1.00 0.00 H new ATOM 602 N VAL A 39 -5.278 30.548 -11.077 1.00 0.00 N ATOM 603 CA VAL A 39 -6.675 30.107 -11.184 1.00 0.00 C ATOM 604 C VAL A 39 -6.766 28.696 -11.781 1.00 0.00 C ATOM 605 O VAL A 39 -7.649 27.923 -11.420 1.00 0.00 O ATOM 606 CB VAL A 39 -7.508 31.098 -12.076 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.517 32.516 -11.462 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.986 31.117 -13.536 1.00 0.00 C ATOM 0 H VAL A 39 -5.073 31.373 -11.641 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.088 30.094 -10.175 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.537 30.740 -12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.099 33.184 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.963 32.479 -10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.495 32.887 -11.387 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.583 31.812 -14.127 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.944 31.435 -13.546 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.064 30.117 -13.963 1.00 0.00 H new ATOM 618 N ARG A 40 -5.810 28.389 -12.685 1.00 0.00 N ATOM 619 CA ARG A 40 -5.779 27.133 -13.442 1.00 0.00 C ATOM 620 C ARG A 40 -5.532 25.961 -12.502 1.00 0.00 C ATOM 621 O ARG A 40 -6.152 24.915 -12.622 1.00 0.00 O ATOM 622 CB ARG A 40 -4.659 27.164 -14.516 1.00 0.00 C ATOM 623 CG ARG A 40 -4.608 28.446 -15.368 1.00 0.00 C ATOM 624 CD ARG A 40 -3.699 28.304 -16.592 1.00 0.00 C ATOM 625 NE ARG A 40 -4.274 27.351 -17.558 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.616 26.783 -18.572 1.00 0.00 C ATOM 627 NH1 ARG A 40 -2.359 27.111 -18.850 1.00 0.00 N ATOM 628 NH2 ARG A 40 -4.248 25.904 -19.333 1.00 0.00 N ATOM 0 H ARG A 40 -5.036 29.015 -12.906 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.744 27.014 -13.936 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.697 27.038 -14.019 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.790 26.310 -15.180 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.616 28.700 -15.696 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.255 29.273 -14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.566 29.276 -17.067 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.712 27.963 -16.281 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.257 27.105 -17.442 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.877 27.809 -18.284 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.876 26.664 -19.629 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.222 25.670 -19.141 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.761 25.460 -20.112 1.00 0.00 H new ATOM 642 N VAL A 41 -4.608 26.189 -11.561 1.00 0.00 N ATOM 643 CA VAL A 41 -4.157 25.192 -10.588 1.00 0.00 C ATOM 644 C VAL A 41 -5.341 24.704 -9.723 1.00 0.00 C ATOM 645 O VAL A 41 -5.607 23.494 -9.619 1.00 0.00 O ATOM 646 CB VAL A 41 -2.989 25.802 -9.712 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.460 24.809 -8.658 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.832 26.310 -10.615 1.00 0.00 C ATOM 0 H VAL A 41 -4.144 27.091 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.766 24.319 -11.110 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.410 26.648 -9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.660 25.278 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.270 24.526 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.075 23.920 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.040 26.725 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.436 25.480 -11.200 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.207 27.082 -11.287 1.00 0.00 H new ATOM 658 N LYS A 42 -6.093 25.670 -9.176 1.00 0.00 N ATOM 659 CA LYS A 42 -7.248 25.398 -8.304 1.00 0.00 C ATOM 660 C LYS A 42 -8.453 24.875 -9.137 1.00 0.00 C ATOM 661 O LYS A 42 -9.243 24.062 -8.648 1.00 0.00 O ATOM 662 CB LYS A 42 -7.597 26.678 -7.483 1.00 0.00 C ATOM 663 CG LYS A 42 -8.339 26.427 -6.140 1.00 0.00 C ATOM 664 CD LYS A 42 -9.861 26.184 -6.275 1.00 0.00 C ATOM 665 CE LYS A 42 -10.621 27.415 -6.803 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.533 28.574 -5.880 1.00 0.00 N ATOM 0 H LYS A 42 -5.918 26.664 -9.325 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.996 24.610 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.673 27.217 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.213 27.330 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.890 25.564 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.179 27.285 -5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.031 25.343 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.266 25.903 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.218 27.697 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.668 27.154 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.155 29.336 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.831 28.282 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.552 28.917 -5.846 1.00 0.00 H new ATOM 680 N ALA A 43 -8.554 25.333 -10.399 1.00 0.00 N ATOM 681 CA ALA A 43 -9.618 24.907 -11.337 1.00 0.00 C ATOM 682 C ALA A 43 -9.494 23.406 -11.673 1.00 0.00 C ATOM 683 O ALA A 43 -10.488 22.660 -11.641 1.00 0.00 O ATOM 684 CB ALA A 43 -9.568 25.759 -12.619 1.00 0.00 C ATOM 0 H ALA A 43 -7.903 26.008 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.583 25.060 -10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.355 25.437 -13.301 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.716 26.808 -12.364 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.598 25.636 -13.100 1.00 0.00 H new ATOM 690 N VAL A 44 -8.254 22.987 -11.976 1.00 0.00 N ATOM 691 CA VAL A 44 -7.914 21.584 -12.259 1.00 0.00 C ATOM 692 C VAL A 44 -8.186 20.725 -11.019 1.00 0.00 C ATOM 693 O VAL A 44 -8.784 19.663 -11.138 1.00 0.00 O ATOM 694 CB VAL A 44 -6.415 21.432 -12.726 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.986 19.952 -12.850 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.185 22.167 -14.065 1.00 0.00 C ATOM 0 H VAL A 44 -7.454 23.618 -12.032 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.544 21.239 -13.079 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.794 21.888 -11.955 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.947 19.900 -13.174 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.089 19.461 -11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.619 19.450 -13.581 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.145 22.050 -14.370 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.837 21.744 -14.829 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.410 23.226 -13.942 1.00 0.00 H new ATOM 706 N TYR A 45 -7.762 21.223 -9.842 1.00 0.00 N ATOM 707 CA TYR A 45 -8.029 20.582 -8.538 1.00 0.00 C ATOM 708 C TYR A 45 -9.530 20.265 -8.346 1.00 0.00 C ATOM 709 O TYR A 45 -9.882 19.121 -8.055 1.00 0.00 O ATOM 710 CB TYR A 45 -7.485 21.489 -7.403 1.00 0.00 C ATOM 711 CG TYR A 45 -8.117 21.297 -6.014 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.707 20.280 -5.148 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.138 22.150 -5.577 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.297 20.122 -3.905 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.720 21.994 -4.346 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.301 20.987 -3.514 1.00 0.00 C ATOM 717 OH TYR A 45 -9.906 20.839 -2.292 1.00 0.00 O ATOM 0 H TYR A 45 -7.222 22.085 -9.767 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.511 19.623 -8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.411 21.321 -7.316 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.622 22.529 -7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.919 19.607 -5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.474 22.947 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.975 19.329 -3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.507 22.663 -4.031 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.836 21.143 -2.348 1.00 0.00 H new ATOM 727 N LEU A 46 -10.396 21.290 -8.528 1.00 0.00 N ATOM 728 CA LEU A 46 -11.866 21.153 -8.361 1.00 0.00 C ATOM 729 C LEU A 46 -12.426 20.085 -9.307 1.00 0.00 C ATOM 730 O LEU A 46 -13.259 19.261 -8.904 1.00 0.00 O ATOM 731 CB LEU A 46 -12.592 22.503 -8.609 1.00 0.00 C ATOM 732 CG LEU A 46 -12.379 23.605 -7.534 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.132 24.900 -7.909 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.791 23.103 -6.131 1.00 0.00 C ATOM 0 H LEU A 46 -10.100 22.229 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.047 20.846 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.265 22.896 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.661 22.307 -8.691 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.315 23.838 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.965 25.654 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.764 25.271 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.199 24.691 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.631 23.895 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.845 22.824 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.188 22.235 -5.864 1.00 0.00 H new ATOM 746 N PHE A 47 -11.943 20.123 -10.559 1.00 0.00 N ATOM 747 CA PHE A 47 -12.309 19.143 -11.589 1.00 0.00 C ATOM 748 C PHE A 47 -11.878 17.712 -11.175 1.00 0.00 C ATOM 749 O PHE A 47 -12.645 16.764 -11.341 1.00 0.00 O ATOM 750 CB PHE A 47 -11.688 19.544 -12.968 1.00 0.00 C ATOM 751 CG PHE A 47 -11.571 18.376 -13.950 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.712 17.755 -14.466 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.326 17.851 -14.289 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.605 16.655 -15.289 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.221 16.748 -15.105 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.360 16.149 -15.608 1.00 0.00 C ATOM 0 H PHE A 47 -11.288 20.834 -10.884 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.394 19.142 -11.691 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.299 20.327 -13.418 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.698 19.968 -12.802 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.689 18.142 -14.217 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.430 18.317 -13.906 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.495 16.188 -15.685 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.248 16.350 -15.352 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.277 15.285 -16.251 1.00 0.00 H new ATOM 766 N LEU A 48 -10.645 17.570 -10.669 1.00 0.00 N ATOM 767 CA LEU A 48 -10.079 16.262 -10.307 1.00 0.00 C ATOM 768 C LEU A 48 -10.824 15.637 -9.107 1.00 0.00 C ATOM 769 O LEU A 48 -11.070 14.439 -9.092 1.00 0.00 O ATOM 770 CB LEU A 48 -8.562 16.364 -10.014 1.00 0.00 C ATOM 771 CG LEU A 48 -7.631 16.744 -11.210 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.156 16.757 -10.773 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.840 15.824 -12.429 1.00 0.00 C ATOM 0 H LEU A 48 -10.015 18.354 -10.500 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.213 15.605 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.419 17.103 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.229 15.405 -9.617 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.906 17.751 -11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.527 17.024 -11.622 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.019 17.488 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.875 15.768 -10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.171 16.128 -13.234 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.624 14.793 -12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.873 15.899 -12.769 1.00 0.00 H new ATOM 785 N VAL A 49 -11.193 16.463 -8.112 1.00 0.00 N ATOM 786 CA VAL A 49 -11.974 15.999 -6.941 1.00 0.00 C ATOM 787 C VAL A 49 -13.397 15.603 -7.389 1.00 0.00 C ATOM 788 O VAL A 49 -13.968 14.619 -6.902 1.00 0.00 O ATOM 789 CB VAL A 49 -12.057 17.086 -5.802 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.835 16.553 -4.575 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.654 17.574 -5.376 1.00 0.00 C ATOM 0 H VAL A 49 -10.965 17.457 -8.091 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.455 15.135 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.600 17.937 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.875 17.325 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.848 16.286 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.330 15.672 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.752 18.322 -4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.073 16.730 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.146 18.014 -6.234 1.00 0.00 H new ATOM 801 N ASP A 50 -13.938 16.378 -8.349 1.00 0.00 N ATOM 802 CA ASP A 50 -15.253 16.117 -8.974 1.00 0.00 C ATOM 803 C ASP A 50 -15.244 14.758 -9.701 1.00 0.00 C ATOM 804 O ASP A 50 -16.191 13.973 -9.598 1.00 0.00 O ATOM 805 CB ASP A 50 -15.582 17.255 -9.977 1.00 0.00 C ATOM 806 CG ASP A 50 -16.998 17.185 -10.582 1.00 0.00 C ATOM 807 OD1 ASP A 50 -17.185 16.535 -11.636 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.926 17.795 -10.008 1.00 0.00 O ATOM 0 H ASP A 50 -13.473 17.208 -8.716 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.016 16.086 -8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.464 18.213 -9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.853 17.230 -10.787 1.00 0.00 H new ATOM 813 N ALA A 51 -14.127 14.496 -10.400 1.00 0.00 N ATOM 814 CA ALA A 51 -13.910 13.269 -11.184 1.00 0.00 C ATOM 815 C ALA A 51 -13.348 12.130 -10.296 1.00 0.00 C ATOM 816 O ALA A 51 -13.047 11.045 -10.799 1.00 0.00 O ATOM 817 CB ALA A 51 -12.964 13.576 -12.360 1.00 0.00 C ATOM 0 H ALA A 51 -13.337 15.141 -10.437 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.866 12.926 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.801 12.669 -12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.410 14.341 -12.996 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.010 13.936 -11.975 1.00 0.00 H new ATOM 823 N LYS A 52 -13.187 12.424 -8.976 1.00 0.00 N ATOM 824 CA LYS A 52 -12.740 11.462 -7.928 1.00 0.00 C ATOM 825 C LYS A 52 -11.287 10.965 -8.169 1.00 0.00 C ATOM 826 O LYS A 52 -10.876 9.919 -7.650 1.00 0.00 O ATOM 827 CB LYS A 52 -13.745 10.276 -7.785 1.00 0.00 C ATOM 828 CG LYS A 52 -15.230 10.699 -7.634 1.00 0.00 C ATOM 829 CD LYS A 52 -15.472 11.665 -6.450 1.00 0.00 C ATOM 830 CE LYS A 52 -16.920 12.182 -6.394 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.125 13.139 -5.276 1.00 0.00 N ATOM 0 H LYS A 52 -13.368 13.356 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.729 11.999 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.652 9.632 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.461 9.680 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.561 11.176 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.843 9.808 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.236 11.155 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.791 12.512 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.169 12.668 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.602 11.339 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.113 13.463 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.913 12.669 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.493 13.956 -5.398 1.00 0.00 H new ATOM 845 N GLN A 53 -10.533 11.750 -8.958 1.00 0.00 N ATOM 846 CA GLN A 53 -9.096 11.555 -9.223 1.00 0.00 C ATOM 847 C GLN A 53 -8.267 11.764 -7.945 1.00 0.00 C ATOM 848 O GLN A 53 -7.377 10.970 -7.626 1.00 0.00 O ATOM 849 CB GLN A 53 -8.639 12.559 -10.316 1.00 0.00 C ATOM 850 CG GLN A 53 -9.336 12.395 -11.684 1.00 0.00 C ATOM 851 CD GLN A 53 -8.991 11.091 -12.409 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.900 10.549 -12.256 1.00 0.00 O ATOM 853 NE2 GLN A 53 -9.918 10.575 -13.197 1.00 0.00 N ATOM 0 H GLN A 53 -10.917 12.561 -9.443 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.938 10.533 -9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.815 13.572 -9.954 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.563 12.454 -10.458 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.415 12.442 -11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.063 13.236 -12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.816 11.047 -13.305 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.736 9.705 -13.697 1.00 0.00 H new ATOM 862 N ILE A 54 -8.573 12.852 -7.218 1.00 0.00 N ATOM 863 CA ILE A 54 -7.914 13.192 -5.934 1.00 0.00 C ATOM 864 C ILE A 54 -8.964 13.428 -4.842 1.00 0.00 C ATOM 865 O ILE A 54 -10.152 13.644 -5.130 1.00 0.00 O ATOM 866 CB ILE A 54 -6.990 14.468 -6.041 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.800 15.695 -6.554 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.763 14.188 -6.929 1.00 0.00 C ATOM 869 CD1 ILE A 54 -7.014 16.989 -6.689 1.00 0.00 C ATOM 0 H ILE A 54 -9.285 13.525 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.282 12.342 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.623 14.708 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.226 15.446 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.635 15.867 -5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.143 15.083 -6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.182 13.371 -6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.094 13.911 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.672 17.778 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.610 17.273 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.195 16.845 -7.394 1.00 0.00 H new ATOM 881 N ALA A 55 -8.494 13.372 -3.592 1.00 0.00 N ATOM 882 CA ALA A 55 -9.284 13.677 -2.399 1.00 0.00 C ATOM 883 C ALA A 55 -9.375 15.207 -2.229 1.00 0.00 C ATOM 884 O ALA A 55 -8.449 15.927 -2.640 1.00 0.00 O ATOM 885 CB ALA A 55 -8.629 13.023 -1.161 1.00 0.00 C ATOM 0 H ALA A 55 -7.532 13.107 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.292 13.275 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.219 13.252 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.586 11.943 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.619 13.413 -1.035 1.00 0.00 H new ATOM 891 N PRO A 56 -10.484 15.739 -1.638 1.00 0.00 N ATOM 892 CA PRO A 56 -10.603 17.185 -1.358 1.00 0.00 C ATOM 893 C PRO A 56 -9.657 17.634 -0.229 1.00 0.00 C ATOM 894 O PRO A 56 -9.235 16.833 0.614 1.00 0.00 O ATOM 895 CB PRO A 56 -12.089 17.353 -0.954 1.00 0.00 C ATOM 896 CG PRO A 56 -12.471 16.019 -0.393 1.00 0.00 C ATOM 897 CD PRO A 56 -11.715 15.000 -1.221 1.00 0.00 C ATOM 0 HA PRO A 56 -10.322 17.800 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.214 18.146 -0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.708 17.616 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.203 15.945 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.547 15.859 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.472 14.110 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.297 14.670 -2.082 1.00 0.00 H new ATOM 905 N LEU A 57 -9.302 18.904 -0.264 1.00 0.00 N ATOM 906 CA LEU A 57 -8.602 19.593 0.818 1.00 0.00 C ATOM 907 C LEU A 57 -9.631 20.356 1.673 1.00 0.00 C ATOM 908 O LEU A 57 -10.706 20.711 1.164 1.00 0.00 O ATOM 909 CB LEU A 57 -7.562 20.564 0.206 1.00 0.00 C ATOM 910 CG LEU A 57 -6.355 19.886 -0.507 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.567 20.901 -1.350 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.438 19.167 0.514 1.00 0.00 C ATOM 0 H LEU A 57 -9.495 19.506 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.080 18.879 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.070 21.209 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.180 21.207 0.999 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.749 19.130 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.730 20.399 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.222 21.331 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.189 21.694 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.603 18.702 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.056 19.891 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.008 18.401 1.039 1.00 0.00 H new ATOM 924 N PRO A 58 -9.334 20.616 2.984 1.00 0.00 N ATOM 925 CA PRO A 58 -10.214 21.437 3.838 1.00 0.00 C ATOM 926 C PRO A 58 -10.240 22.903 3.357 1.00 0.00 C ATOM 927 O PRO A 58 -9.237 23.406 2.825 1.00 0.00 O ATOM 928 CB PRO A 58 -9.589 21.302 5.247 1.00 0.00 C ATOM 929 CG PRO A 58 -8.156 20.966 4.996 1.00 0.00 C ATOM 930 CD PRO A 58 -8.144 20.126 3.738 1.00 0.00 C ATOM 0 HA PRO A 58 -11.254 21.113 3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.685 22.228 5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.083 20.522 5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.559 21.869 4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.730 20.418 5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.224 20.265 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.221 19.063 3.964 1.00 0.00 H new ATOM 938 N ASP A 59 -11.395 23.560 3.545 1.00 0.00 N ATOM 939 CA ASP A 59 -11.628 24.962 3.131 1.00 0.00 C ATOM 940 C ASP A 59 -10.586 25.916 3.766 1.00 0.00 C ATOM 941 O ASP A 59 -10.150 26.881 3.128 1.00 0.00 O ATOM 942 CB ASP A 59 -13.077 25.383 3.518 1.00 0.00 C ATOM 943 CG ASP A 59 -13.514 26.751 2.951 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.224 27.795 3.570 1.00 0.00 O ATOM 945 OD2 ASP A 59 -14.168 26.787 1.888 1.00 0.00 O ATOM 0 H ASP A 59 -12.205 23.132 3.993 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.513 25.032 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.771 24.619 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.157 25.411 4.605 1.00 0.00 H new ATOM 950 N SER A 60 -10.189 25.604 5.022 1.00 0.00 N ATOM 951 CA SER A 60 -9.162 26.358 5.777 1.00 0.00 C ATOM 952 C SER A 60 -7.811 26.394 5.024 1.00 0.00 C ATOM 953 O SER A 60 -7.063 27.375 5.113 1.00 0.00 O ATOM 954 CB SER A 60 -8.975 25.727 7.172 1.00 0.00 C ATOM 955 OG SER A 60 -10.210 25.618 7.857 1.00 0.00 O ATOM 0 H SER A 60 -10.575 24.817 5.543 1.00 0.00 H new ATOM 0 HA SER A 60 -9.508 27.386 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.525 24.739 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.284 26.333 7.758 1.00 0.00 H new ATOM 0 HG SER A 60 -10.061 25.213 8.737 1.00 0.00 H new ATOM 961 N LYS A 61 -7.500 25.306 4.291 1.00 0.00 N ATOM 962 CA LYS A 61 -6.348 25.274 3.385 1.00 0.00 C ATOM 963 C LYS A 61 -6.755 25.928 2.050 1.00 0.00 C ATOM 964 O LYS A 61 -6.797 27.167 1.969 1.00 0.00 O ATOM 965 CB LYS A 61 -5.803 23.820 3.198 1.00 0.00 C ATOM 966 CG LYS A 61 -5.254 23.116 4.473 1.00 0.00 C ATOM 967 CD LYS A 61 -3.833 23.570 4.920 1.00 0.00 C ATOM 968 CE LYS A 61 -3.788 24.943 5.614 1.00 0.00 C ATOM 969 NZ LYS A 61 -2.415 25.305 6.045 1.00 0.00 N ATOM 0 H LYS A 61 -8.036 24.439 4.313 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.524 25.842 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.604 23.205 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.007 23.847 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.949 23.292 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.236 22.041 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.423 22.821 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.183 23.598 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.167 25.705 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.449 24.933 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.431 26.236 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.062 24.592 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.789 25.341 5.215 1.00 0.00 H new ATOM 983 N LEU A 62 -7.083 25.099 1.023 1.00 0.00 N ATOM 984 CA LEU A 62 -7.409 25.560 -0.355 1.00 0.00 C ATOM 985 C LEU A 62 -6.366 26.561 -0.922 1.00 0.00 C ATOM 986 O LEU A 62 -6.642 27.297 -1.873 1.00 0.00 O ATOM 987 CB LEU A 62 -8.875 26.120 -0.411 1.00 0.00 C ATOM 988 CG LEU A 62 -9.948 25.175 -1.049 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.804 25.127 -2.583 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.865 23.756 -0.454 1.00 0.00 C ATOM 0 H LEU A 62 -7.129 24.085 1.128 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.355 24.693 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.190 26.361 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.864 27.055 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.929 25.586 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.562 24.463 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.935 26.129 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.813 24.755 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.622 23.123 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.876 23.338 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.038 23.802 0.621 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.164 26.521 -0.345 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.053 27.420 -0.660 1.00 0.00 C ATOM 1004 C ASP A 63 -3.202 26.804 -1.769 1.00 0.00 C ATOM 1005 O ASP A 63 -3.113 25.575 -1.845 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.217 27.636 0.627 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.854 28.310 0.393 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.798 29.555 0.317 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.841 27.590 0.252 1.00 0.00 O ATOM 0 H ASP A 63 -4.930 25.840 0.377 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.423 28.383 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.795 28.244 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.054 26.671 1.106 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.550 27.681 -2.570 1.00 0.00 N ATOM 1015 CA GLY A 64 -1.752 27.292 -3.739 1.00 0.00 C ATOM 1016 C GLY A 64 -0.834 26.099 -3.495 1.00 0.00 C ATOM 1017 O GLY A 64 -0.913 25.125 -4.225 1.00 0.00 O ATOM 0 H GLY A 64 -2.569 28.689 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.425 27.057 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.148 28.143 -4.053 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.025 26.159 -2.417 1.00 0.00 N ATOM 1022 CA ALA A 65 0.945 25.089 -2.054 1.00 0.00 C ATOM 1023 C ALA A 65 0.257 23.716 -1.908 1.00 0.00 C ATOM 1024 O ALA A 65 0.740 22.701 -2.430 1.00 0.00 O ATOM 1025 CB ALA A 65 1.672 25.464 -0.749 1.00 0.00 C ATOM 0 H ALA A 65 -0.021 26.948 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 65 1.670 25.006 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.380 24.678 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.207 26.403 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.943 25.577 0.054 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.896 23.719 -1.215 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.678 22.496 -0.913 1.00 0.00 C ATOM 1033 C ASN A 66 -2.314 21.924 -2.193 1.00 0.00 C ATOM 1034 O ASN A 66 -2.314 20.702 -2.411 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.770 22.808 0.143 1.00 0.00 C ATOM 1036 CG ASN A 66 -2.184 23.306 1.467 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.902 22.516 2.367 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.951 24.605 1.580 1.00 0.00 N ATOM 0 H ASN A 66 -1.317 24.571 -0.845 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.001 21.745 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.450 23.561 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.360 21.910 0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.527 24.975 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.196 25.235 0.816 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.846 22.831 -3.030 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.515 22.483 -4.298 1.00 0.00 C ATOM 1047 C ILE A 67 -2.505 21.826 -5.266 1.00 0.00 C ATOM 1048 O ILE A 67 -2.766 20.755 -5.835 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.144 23.770 -4.969 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.182 24.477 -4.032 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.781 23.429 -6.325 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.414 23.664 -3.708 1.00 0.00 C ATOM 0 H ILE A 67 -2.824 23.834 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.317 21.777 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.327 24.472 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.684 24.741 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.495 25.410 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.206 24.331 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.021 23.024 -6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.569 22.690 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.069 24.240 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.943 23.422 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.120 22.742 -3.206 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.345 22.484 -5.391 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.229 22.052 -6.248 1.00 0.00 C ATOM 1066 C LYS A 68 0.265 20.649 -5.880 1.00 0.00 C ATOM 1067 O LYS A 68 0.637 19.867 -6.753 1.00 0.00 O ATOM 1068 CB LYS A 68 0.934 23.067 -6.116 1.00 0.00 C ATOM 1069 CG LYS A 68 0.651 24.443 -6.746 1.00 0.00 C ATOM 1070 CD LYS A 68 1.753 25.472 -6.438 1.00 0.00 C ATOM 1071 CE LYS A 68 1.417 26.872 -6.975 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.488 27.849 -6.660 1.00 0.00 N ATOM 0 H LYS A 68 -1.150 23.350 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.586 22.015 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.162 23.205 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.824 22.644 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.555 24.331 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.304 24.818 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.904 25.526 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.693 25.135 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.274 26.824 -8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.475 27.212 -6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.228 28.783 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.607 27.913 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.381 27.537 -7.093 1.00 0.00 H new ATOM 1086 N HIS A 69 0.257 20.359 -4.572 1.00 0.00 N ATOM 1087 CA HIS A 69 0.712 19.077 -4.021 1.00 0.00 C ATOM 1088 C HIS A 69 -0.234 17.934 -4.448 1.00 0.00 C ATOM 1089 O HIS A 69 0.220 16.850 -4.835 1.00 0.00 O ATOM 1090 CB HIS A 69 0.806 19.184 -2.489 1.00 0.00 C ATOM 1091 CG HIS A 69 1.542 18.045 -1.828 1.00 0.00 C ATOM 1092 ND1 HIS A 69 0.914 17.049 -1.121 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.870 17.762 -1.771 1.00 0.00 C ATOM 1094 CE1 HIS A 69 1.817 16.210 -0.646 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.008 16.619 -1.028 1.00 0.00 N ATOM 0 H HIS A 69 -0.068 21.014 -3.861 1.00 0.00 H new ATOM 0 HA HIS A 69 1.701 18.844 -4.416 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.303 20.119 -2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.202 19.236 -2.078 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.667 18.331 -2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.612 15.336 -0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.891 16.159 -0.807 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.558 18.206 -4.398 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.593 17.265 -4.887 1.00 0.00 C ATOM 1106 C ARG A 70 -2.358 16.931 -6.371 1.00 0.00 C ATOM 1107 O ARG A 70 -2.296 15.752 -6.751 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.023 17.852 -4.711 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.610 17.792 -3.288 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.738 16.347 -2.750 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.736 16.251 -1.660 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.562 15.648 -0.475 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.376 15.180 -0.114 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.579 15.562 0.366 1.00 0.00 N ATOM 0 H ARG A 70 -1.937 19.075 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.515 16.356 -4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.008 18.893 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.697 17.321 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.977 18.370 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.593 18.264 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.024 15.680 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.768 16.008 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.644 16.686 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.577 15.276 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.262 14.724 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.486 15.953 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.456 15.105 1.270 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.191 17.994 -7.180 1.00 0.00 N ATOM 1129 CA LEU A 71 -1.969 17.882 -8.634 1.00 0.00 C ATOM 1130 C LEU A 71 -0.662 17.122 -8.940 1.00 0.00 C ATOM 1131 O LEU A 71 -0.596 16.338 -9.899 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.901 19.288 -9.284 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.113 20.243 -9.049 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.001 21.505 -9.923 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.463 19.537 -9.270 1.00 0.00 C ATOM 0 H LEU A 71 -2.206 18.957 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.809 17.326 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.003 19.786 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.778 19.157 -10.359 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.079 20.547 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.858 22.152 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.084 22.039 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.982 21.219 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.275 20.242 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.517 19.168 -10.294 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.553 18.700 -8.578 1.00 0.00 H new ATOM 1147 N ALA A 72 0.357 17.375 -8.100 1.00 0.00 N ATOM 1148 CA ALA A 72 1.698 16.810 -8.250 1.00 0.00 C ATOM 1149 C ALA A 72 1.673 15.289 -8.136 1.00 0.00 C ATOM 1150 O ALA A 72 2.016 14.593 -9.091 1.00 0.00 O ATOM 1151 CB ALA A 72 2.657 17.412 -7.217 1.00 0.00 C ATOM 0 H ALA A 72 0.265 17.987 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 72 2.058 17.065 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.649 16.979 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.712 18.492 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.293 17.194 -6.213 1.00 0.00 H new ATOM 1157 N LEU A 73 1.227 14.778 -6.973 1.00 0.00 N ATOM 1158 CA LEU A 73 1.204 13.329 -6.705 1.00 0.00 C ATOM 1159 C LEU A 73 0.163 12.614 -7.577 1.00 0.00 C ATOM 1160 O LEU A 73 0.313 11.413 -7.854 1.00 0.00 O ATOM 1161 CB LEU A 73 0.988 13.009 -5.205 1.00 0.00 C ATOM 1162 CG LEU A 73 2.213 13.316 -4.278 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.363 14.818 -3.993 1.00 0.00 C ATOM 1164 CD2 LEU A 73 2.149 12.509 -2.975 1.00 0.00 C ATOM 0 H LEU A 73 0.877 15.349 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 73 2.189 12.947 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.130 13.578 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.733 11.954 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 73 3.104 13.002 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.225 14.981 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.506 15.354 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.464 15.186 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.014 12.747 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.237 12.762 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.151 11.444 -3.206 1.00 0.00 H new ATOM 1176 N TRP A 74 -0.880 13.356 -8.009 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.879 12.836 -8.951 1.00 0.00 C ATOM 1178 C TRP A 74 -1.215 12.422 -10.278 1.00 0.00 C ATOM 1179 O TRP A 74 -1.248 11.246 -10.648 1.00 0.00 O ATOM 1180 CB TRP A 74 -2.995 13.879 -9.221 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.956 13.441 -10.299 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.912 12.474 -10.204 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.022 13.935 -11.648 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.550 12.326 -11.407 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.027 13.215 -12.303 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.323 14.917 -12.353 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.348 13.433 -13.630 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.647 15.143 -13.673 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.653 14.403 -14.299 1.00 0.00 C ATOM 0 H TRP A 74 -1.047 14.319 -7.716 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.334 11.957 -8.494 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.548 14.060 -8.299 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.539 14.826 -9.510 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.134 11.908 -9.311 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.296 11.659 -11.603 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.543 15.489 -11.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.120 12.858 -14.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.117 15.901 -14.230 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.887 14.601 -15.334 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.612 13.409 -10.973 1.00 0.00 N ATOM 1201 CA ILE A 75 0.013 13.191 -12.291 1.00 0.00 C ATOM 1202 C ILE A 75 1.257 12.289 -12.154 1.00 0.00 C ATOM 1203 O ILE A 75 1.596 11.550 -13.069 1.00 0.00 O ATOM 1204 CB ILE A 75 0.371 14.550 -13.009 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.767 14.324 -14.506 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.482 15.310 -12.255 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.281 13.614 -15.357 1.00 0.00 C ATOM 0 H ILE A 75 -0.546 14.370 -10.639 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.716 12.683 -12.922 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.527 15.167 -12.993 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.983 15.292 -14.958 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.690 13.745 -14.537 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.704 16.241 -12.776 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.147 15.532 -11.242 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.380 14.694 -12.214 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.090 13.506 -16.376 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.483 12.628 -14.938 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.200 14.199 -15.365 1.00 0.00 H new ATOM 1219 N HIS A 76 1.879 12.326 -10.965 1.00 0.00 N ATOM 1220 CA HIS A 76 3.045 11.495 -10.632 1.00 0.00 C ATOM 1221 C HIS A 76 2.645 10.005 -10.599 1.00 0.00 C ATOM 1222 O HIS A 76 3.404 9.143 -11.042 1.00 0.00 O ATOM 1223 CB HIS A 76 3.622 11.943 -9.268 1.00 0.00 C ATOM 1224 CG HIS A 76 4.984 11.415 -8.952 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.334 10.932 -7.715 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.101 11.354 -9.709 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.599 10.591 -7.729 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.087 10.831 -8.926 1.00 0.00 N ATOM 0 H HIS A 76 1.585 12.937 -10.204 1.00 0.00 H new ATOM 0 HA HIS A 76 3.812 11.620 -11.396 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.657 13.032 -9.246 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.936 11.630 -8.481 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.195 11.662 -10.740 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.150 10.181 -6.895 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.047 10.655 -9.221 1.00 0.00 H new ATOM 1237 N ALA A 77 1.442 9.726 -10.067 1.00 0.00 N ATOM 1238 CA ALA A 77 0.865 8.368 -10.039 1.00 0.00 C ATOM 1239 C ALA A 77 0.040 8.061 -11.309 1.00 0.00 C ATOM 1240 O ALA A 77 -0.344 6.911 -11.535 1.00 0.00 O ATOM 1241 CB ALA A 77 0.006 8.189 -8.788 1.00 0.00 C ATOM 0 H ALA A 77 0.842 10.434 -9.644 1.00 0.00 H new ATOM 0 HA ALA A 77 1.692 7.659 -10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.415 7.184 -8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.621 8.335 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.802 8.921 -8.794 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.249 9.096 -12.118 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.889 8.915 -13.436 1.00 0.00 C ATOM 1249 C ALA A 78 0.160 8.422 -14.445 1.00 0.00 C ATOM 1250 O ALA A 78 -0.148 7.629 -15.340 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.567 10.211 -13.906 1.00 0.00 C ATOM 0 H ALA A 78 -0.050 10.068 -11.883 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.675 8.164 -13.355 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.030 10.047 -14.879 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.331 10.504 -13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.822 11.003 -13.987 1.00 0.00 H new ATOM 1257 N LEU A 79 1.410 8.894 -14.272 1.00 0.00 N ATOM 1258 CA LEU A 79 2.570 8.407 -15.029 1.00 0.00 C ATOM 1259 C LEU A 79 2.919 6.973 -14.549 1.00 0.00 C ATOM 1260 O LEU A 79 3.166 6.784 -13.355 1.00 0.00 O ATOM 1261 CB LEU A 79 3.792 9.362 -14.848 1.00 0.00 C ATOM 1262 CG LEU A 79 3.615 10.823 -15.391 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.885 11.673 -15.163 1.00 0.00 C ATOM 1264 CD2 LEU A 79 3.201 10.830 -16.881 1.00 0.00 C ATOM 0 H LEU A 79 1.640 9.626 -13.600 1.00 0.00 H new ATOM 0 HA LEU A 79 2.325 8.385 -16.091 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.029 9.418 -13.786 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.653 8.914 -15.344 1.00 0.00 H new ATOM 0 HG LEU A 79 2.806 11.280 -14.821 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.725 12.678 -15.552 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.100 11.727 -14.096 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.728 11.214 -15.680 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.088 11.859 -17.222 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.969 10.333 -17.474 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.254 10.303 -16.998 1.00 0.00 H new ATOM 1276 N PRO A 80 2.911 5.941 -15.466 1.00 0.00 N ATOM 1277 CA PRO A 80 3.214 4.525 -15.097 1.00 0.00 C ATOM 1278 C PRO A 80 4.647 4.352 -14.538 1.00 0.00 C ATOM 1279 O PRO A 80 4.890 3.524 -13.645 1.00 0.00 O ATOM 1280 CB PRO A 80 3.023 3.756 -16.438 1.00 0.00 C ATOM 1281 CG PRO A 80 3.168 4.799 -17.509 1.00 0.00 C ATOM 1282 CD PRO A 80 2.588 6.061 -16.918 1.00 0.00 C ATOM 0 HA PRO A 80 2.571 4.158 -14.297 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.768 2.968 -16.551 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.044 3.278 -16.483 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.214 4.938 -17.784 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.636 4.509 -18.415 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.035 6.953 -17.357 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.513 6.127 -17.087 1.00 0.00 H new ATOM 1290 N ASP A 81 5.568 5.165 -15.081 1.00 0.00 N ATOM 1291 CA ASP A 81 6.990 5.199 -14.688 1.00 0.00 C ATOM 1292 C ASP A 81 7.176 5.924 -13.336 1.00 0.00 C ATOM 1293 O ASP A 81 8.165 5.686 -12.625 1.00 0.00 O ATOM 1294 CB ASP A 81 7.794 5.918 -15.806 1.00 0.00 C ATOM 1295 CG ASP A 81 9.314 6.006 -15.546 1.00 0.00 C ATOM 1296 OD1 ASP A 81 10.005 4.971 -15.675 1.00 0.00 O ATOM 1297 OD2 ASP A 81 9.826 7.102 -15.225 1.00 0.00 O ATOM 0 H ASP A 81 5.342 5.831 -15.820 1.00 0.00 H new ATOM 0 HA ASP A 81 7.355 4.180 -14.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.629 5.395 -16.748 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.400 6.927 -15.928 1.00 0.00 H new ATOM 1302 N ASN A 82 6.185 6.790 -12.999 1.00 0.00 N ATOM 1303 CA ASN A 82 6.215 7.697 -11.829 1.00 0.00 C ATOM 1304 C ASN A 82 7.355 8.699 -11.980 1.00 0.00 C ATOM 1305 O ASN A 82 8.047 9.032 -11.007 1.00 0.00 O ATOM 1306 CB ASN A 82 6.307 6.921 -10.482 1.00 0.00 C ATOM 1307 CG ASN A 82 5.176 5.912 -10.269 1.00 0.00 C ATOM 1308 OD1 ASN A 82 5.394 4.849 -9.694 1.00 0.00 O ATOM 1309 ND2 ASN A 82 3.958 6.251 -10.680 1.00 0.00 N ATOM 0 H ASN A 82 5.328 6.876 -13.545 1.00 0.00 H new ATOM 0 HA ASN A 82 5.271 8.242 -11.800 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.261 6.396 -10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.301 7.637 -9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.172 5.621 -10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.809 7.141 -11.155 1.00 0.00 H new ATOM 1316 N ASP A 83 7.500 9.190 -13.215 1.00 0.00 N ATOM 1317 CA ASP A 83 8.590 10.088 -13.619 1.00 0.00 C ATOM 1318 C ASP A 83 8.572 11.375 -12.754 1.00 0.00 C ATOM 1319 O ASP A 83 7.499 11.941 -12.538 1.00 0.00 O ATOM 1320 CB ASP A 83 8.433 10.430 -15.128 1.00 0.00 C ATOM 1321 CG ASP A 83 9.720 10.962 -15.779 1.00 0.00 C ATOM 1322 OD1 ASP A 83 10.033 12.162 -15.633 1.00 0.00 O ATOM 1323 OD2 ASP A 83 10.427 10.176 -16.444 1.00 0.00 O ATOM 0 H ASP A 83 6.855 8.972 -13.974 1.00 0.00 H new ATOM 0 HA ASP A 83 9.550 9.595 -13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.109 9.537 -15.662 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.644 11.174 -15.243 1.00 0.00 H new ATOM 1328 N PRO A 84 9.753 11.845 -12.228 1.00 0.00 N ATOM 1329 CA PRO A 84 9.836 13.078 -11.386 1.00 0.00 C ATOM 1330 C PRO A 84 9.666 14.386 -12.191 1.00 0.00 C ATOM 1331 O PRO A 84 9.657 15.477 -11.604 1.00 0.00 O ATOM 1332 CB PRO A 84 11.259 12.968 -10.786 1.00 0.00 C ATOM 1333 CG PRO A 84 12.046 12.241 -11.829 1.00 0.00 C ATOM 1334 CD PRO A 84 11.094 11.212 -12.391 1.00 0.00 C ATOM 0 HA PRO A 84 9.036 13.130 -10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.682 13.952 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.251 12.423 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.395 12.921 -12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.929 11.768 -11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.310 10.996 -13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.160 10.268 -11.850 1.00 0.00 H new ATOM 1342 N LEU A 85 9.509 14.241 -13.527 1.00 0.00 N ATOM 1343 CA LEU A 85 9.527 15.344 -14.496 1.00 0.00 C ATOM 1344 C LEU A 85 10.876 16.075 -14.414 1.00 0.00 C ATOM 1345 O LEU A 85 10.963 17.265 -14.117 1.00 0.00 O ATOM 1346 CB LEU A 85 8.295 16.288 -14.380 1.00 0.00 C ATOM 1347 CG LEU A 85 6.933 15.683 -14.861 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.384 14.624 -13.894 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.903 16.786 -15.132 1.00 0.00 C ATOM 0 H LEU A 85 9.364 13.331 -13.964 1.00 0.00 H new ATOM 0 HA LEU A 85 9.433 14.923 -15.497 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.190 16.592 -13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.495 17.191 -14.957 1.00 0.00 H new ATOM 0 HG LEU A 85 7.130 15.168 -15.801 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.439 14.238 -14.276 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.100 13.807 -13.804 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.223 15.074 -12.915 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.967 16.336 -15.464 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.728 17.353 -14.218 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.280 17.454 -15.907 1.00 0.00 H new ATOM 1361 N LYS A 86 11.939 15.282 -14.607 1.00 0.00 N ATOM 1362 CA LYS A 86 13.320 15.772 -14.680 1.00 0.00 C ATOM 1363 C LYS A 86 13.549 16.419 -16.076 1.00 0.00 C ATOM 1364 O LYS A 86 13.448 15.705 -17.089 1.00 0.00 O ATOM 1365 CB LYS A 86 14.288 14.577 -14.374 1.00 0.00 C ATOM 1366 CG LYS A 86 15.812 14.893 -14.380 1.00 0.00 C ATOM 1367 CD LYS A 86 16.444 14.877 -15.793 1.00 0.00 C ATOM 1368 CE LYS A 86 17.924 15.267 -15.813 1.00 0.00 C ATOM 1369 NZ LYS A 86 18.429 15.369 -17.211 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.827 17.625 -16.155 1.00 0.00 O ATOM 0 H LYS A 86 11.862 14.271 -14.718 1.00 0.00 H new ATOM 0 HA LYS A 86 13.521 16.545 -13.938 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.029 14.171 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.101 13.791 -15.106 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.973 15.873 -13.931 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.328 14.166 -13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.335 13.879 -16.218 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.889 15.560 -16.437 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.060 16.221 -15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.507 14.527 -15.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.434 15.635 -17.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.319 14.451 -17.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.886 16.093 -17.724 1.00 0.00 H new