USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=9 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 9 ASN : amide:sc= -1.6! C(o=-0.62!,f=-7.4!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -108:sc= 0.981 (180deg=0) USER MOD Set 2.1: A 76 HIS : no HD1:sc= -0.192 X(o=-0.23,f=-0.44) USER MOD Set 2.2: A 82 ASN : amide:sc= -0.0424 K(o=-0.23,f=-2.5!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 0.834 (180deg=0.522) USER MOD Single : A 15 LYS NZ :NH3+ 136:sc= 0.859 (180deg=0.0733) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 173:sc= -0.0114 (180deg=-0.0941) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -176:sc= -0.538 (180deg=-0.708) USER MOD Single : A 28 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.051) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.406 USER MOD Single : A 37 GLN : amide:sc= 0.352 K(o=0.35,f=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.122) USER MOD Single : A 45 TYR OH : rot -130:sc= 0.852 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.214 K(o=0.21,f=-4.1!) 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= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=0.003) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 7 8.858 12.797 -4.920 1.00 0.00 N ATOM 98 CA LEU A 7 8.421 13.857 -5.842 1.00 0.00 C ATOM 99 C LEU A 7 9.274 15.112 -5.609 1.00 0.00 C ATOM 100 O LEU A 7 9.359 15.613 -4.484 1.00 0.00 O ATOM 101 CB LEU A 7 6.904 14.164 -5.657 1.00 0.00 C ATOM 102 CG LEU A 7 6.218 15.071 -6.750 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.737 14.699 -6.919 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.366 16.595 -6.458 1.00 0.00 C ATOM 0 HA LEU A 7 8.559 13.520 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.369 13.215 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.771 14.643 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 7 6.745 14.876 -7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.286 15.338 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.657 13.657 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.217 14.838 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.874 17.166 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.905 16.828 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.423 16.858 -6.426 1.00 0.00 H new ATOM 116 N ASN A 8 9.906 15.601 -6.687 1.00 0.00 N ATOM 117 CA ASN A 8 10.708 16.842 -6.689 1.00 0.00 C ATOM 118 C ASN A 8 10.403 17.633 -7.962 1.00 0.00 C ATOM 119 O ASN A 8 9.899 17.066 -8.947 1.00 0.00 O ATOM 120 CB ASN A 8 12.232 16.530 -6.598 1.00 0.00 C ATOM 121 CG ASN A 8 12.649 15.955 -5.243 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.053 16.683 -4.340 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.516 14.649 -5.074 1.00 0.00 N ATOM 0 H ASN A 8 9.876 15.141 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 8 10.441 17.434 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.499 15.823 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.795 17.444 -6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.751 14.224 -4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.178 14.067 -5.841 1.00 0.00 H new ATOM 130 N ASN A 9 10.718 18.946 -7.917 1.00 0.00 N ATOM 131 CA ASN A 9 10.504 19.889 -9.036 1.00 0.00 C ATOM 132 C ASN A 9 9.001 19.989 -9.350 1.00 0.00 C ATOM 133 O ASN A 9 8.587 19.955 -10.517 1.00 0.00 O ATOM 134 CB ASN A 9 11.344 19.492 -10.295 1.00 0.00 C ATOM 135 CG ASN A 9 12.866 19.556 -10.103 1.00 0.00 C ATOM 136 OD1 ASN A 9 13.594 19.945 -11.013 1.00 0.00 O ATOM 137 ND2 ASN A 9 13.368 19.144 -8.945 1.00 0.00 N ATOM 0 H ASN A 9 11.132 19.385 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 9 10.856 20.876 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.072 18.479 -10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.068 20.149 -11.120 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.377 19.146 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.744 18.825 -8.203 1.00 0.00 H new ATOM 144 N GLU A 10 8.216 20.149 -8.262 1.00 0.00 N ATOM 145 CA GLU A 10 6.737 20.140 -8.258 1.00 0.00 C ATOM 146 C GLU A 10 6.119 21.011 -9.372 1.00 0.00 C ATOM 147 O GLU A 10 5.106 20.634 -9.953 1.00 0.00 O ATOM 148 CB GLU A 10 6.243 20.629 -6.872 1.00 0.00 C ATOM 149 CG GLU A 10 4.710 20.675 -6.699 1.00 0.00 C ATOM 150 CD GLU A 10 4.268 21.340 -5.391 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.214 22.586 -5.342 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.991 20.632 -4.407 1.00 0.00 O ATOM 0 H GLU A 10 8.608 20.293 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 10 6.413 19.118 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.660 19.976 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.643 21.627 -6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.272 21.215 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.317 19.659 -6.733 1.00 0.00 H new ATOM 159 N GLU A 11 6.764 22.160 -9.654 1.00 0.00 N ATOM 160 CA GLU A 11 6.315 23.153 -10.660 1.00 0.00 C ATOM 161 C GLU A 11 5.957 22.501 -12.018 1.00 0.00 C ATOM 162 O GLU A 11 4.906 22.785 -12.597 1.00 0.00 O ATOM 163 CB GLU A 11 7.428 24.213 -10.864 1.00 0.00 C ATOM 164 CG GLU A 11 7.042 25.375 -11.809 1.00 0.00 C ATOM 165 CD GLU A 11 8.191 26.353 -12.122 1.00 0.00 C ATOM 166 OE1 GLU A 11 8.527 27.189 -11.258 1.00 0.00 O ATOM 167 OE2 GLU A 11 8.739 26.308 -13.250 1.00 0.00 O ATOM 0 H GLU A 11 7.627 22.432 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 11 5.407 23.621 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.701 24.626 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.315 23.718 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.672 24.957 -12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.219 25.932 -11.361 1.00 0.00 H new ATOM 174 N LYS A 12 6.831 21.587 -12.464 1.00 0.00 N ATOM 175 CA LYS A 12 6.721 20.888 -13.762 1.00 0.00 C ATOM 176 C LYS A 12 5.494 19.957 -13.780 1.00 0.00 C ATOM 177 O LYS A 12 4.785 19.852 -14.793 1.00 0.00 O ATOM 178 CB LYS A 12 8.037 20.091 -14.002 1.00 0.00 C ATOM 179 CG LYS A 12 9.303 20.985 -14.129 1.00 0.00 C ATOM 180 CD LYS A 12 10.625 20.246 -13.798 1.00 0.00 C ATOM 181 CE LYS A 12 10.912 19.030 -14.693 1.00 0.00 C ATOM 182 NZ LYS A 12 11.185 19.407 -16.108 1.00 0.00 N ATOM 0 H LYS A 12 7.651 21.305 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 12 6.582 21.613 -14.564 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.181 19.390 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.930 19.498 -14.911 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.360 21.376 -15.145 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.200 21.842 -13.463 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.453 20.950 -13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.594 19.918 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.768 18.486 -14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.060 18.351 -14.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.005 18.590 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.563 20.194 -16.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.178 19.701 -16.204 1.00 0.00 H new ATOM 196 N LEU A 13 5.239 19.317 -12.628 1.00 0.00 N ATOM 197 CA LEU A 13 4.132 18.364 -12.460 1.00 0.00 C ATOM 198 C LEU A 13 2.778 19.092 -12.322 1.00 0.00 C ATOM 199 O LEU A 13 1.747 18.578 -12.769 1.00 0.00 O ATOM 200 CB LEU A 13 4.377 17.440 -11.244 1.00 0.00 C ATOM 201 CG LEU A 13 5.612 16.482 -11.346 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.932 17.168 -10.937 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.385 15.192 -10.548 1.00 0.00 C ATOM 0 H LEU A 13 5.797 19.447 -11.784 1.00 0.00 H new ATOM 0 HA LEU A 13 4.092 17.748 -13.358 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.498 18.063 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.484 16.834 -11.088 1.00 0.00 H new ATOM 0 HG LEU A 13 5.712 16.216 -12.398 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.754 16.458 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.116 18.021 -11.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.859 17.510 -9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.260 14.549 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.223 15.437 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.510 14.672 -10.938 1.00 0.00 H new ATOM 215 N VAL A 14 2.794 20.279 -11.694 1.00 0.00 N ATOM 216 CA VAL A 14 1.595 21.135 -11.564 1.00 0.00 C ATOM 217 C VAL A 14 1.153 21.610 -12.948 1.00 0.00 C ATOM 218 O VAL A 14 -0.009 21.455 -13.307 1.00 0.00 O ATOM 219 CB VAL A 14 1.850 22.369 -10.620 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.627 23.328 -10.556 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.239 21.879 -9.214 1.00 0.00 C ATOM 0 H VAL A 14 3.630 20.674 -11.264 1.00 0.00 H new ATOM 0 HA VAL A 14 0.804 20.539 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 14 2.674 22.945 -11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.853 24.162 -9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.409 23.707 -11.554 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.240 22.787 -10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.414 22.737 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.431 21.273 -8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.147 21.280 -9.276 1.00 0.00 H new ATOM 231 N LYS A 15 2.119 22.142 -13.726 1.00 0.00 N ATOM 232 CA LYS A 15 1.892 22.594 -15.113 1.00 0.00 C ATOM 233 C LYS A 15 1.367 21.444 -15.989 1.00 0.00 C ATOM 234 O LYS A 15 0.465 21.638 -16.803 1.00 0.00 O ATOM 235 CB LYS A 15 3.196 23.171 -15.716 1.00 0.00 C ATOM 236 CG LYS A 15 3.682 24.468 -15.040 1.00 0.00 C ATOM 237 CD LYS A 15 5.040 24.952 -15.596 1.00 0.00 C ATOM 238 CE LYS A 15 5.465 26.317 -15.031 1.00 0.00 C ATOM 239 NZ LYS A 15 6.843 26.683 -15.445 1.00 0.00 N ATOM 0 H LYS A 15 3.080 22.270 -13.408 1.00 0.00 H new ATOM 0 HA LYS A 15 1.137 23.380 -15.090 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.982 22.419 -15.642 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.039 23.364 -16.777 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.936 25.250 -15.182 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.771 24.303 -13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.807 24.213 -15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.980 25.017 -16.682 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.768 27.083 -15.371 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.407 26.293 -13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.864 27.681 -15.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.494 26.543 -14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.138 26.082 -16.241 1.00 0.00 H new ATOM 253 N LYS A 16 1.935 20.241 -15.781 1.00 0.00 N ATOM 254 CA LYS A 16 1.498 19.015 -16.478 1.00 0.00 C ATOM 255 C LYS A 16 0.060 18.646 -16.096 1.00 0.00 C ATOM 256 O LYS A 16 -0.703 18.190 -16.929 1.00 0.00 O ATOM 257 CB LYS A 16 2.427 17.841 -16.138 1.00 0.00 C ATOM 258 CG LYS A 16 2.139 16.516 -16.888 1.00 0.00 C ATOM 259 CD LYS A 16 2.371 16.608 -18.408 1.00 0.00 C ATOM 260 CE LYS A 16 2.301 15.233 -19.099 1.00 0.00 C ATOM 261 NZ LYS A 16 2.600 15.335 -20.547 1.00 0.00 N ATOM 0 H LYS A 16 2.705 20.091 -15.129 1.00 0.00 H new ATOM 0 HA LYS A 16 1.540 19.214 -17.549 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.453 18.141 -16.350 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.365 17.651 -15.066 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.774 15.730 -16.478 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.106 16.220 -16.703 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.625 17.270 -18.847 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.346 17.057 -18.597 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.009 14.552 -18.628 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.308 14.806 -18.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.544 14.391 -20.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.909 15.966 -21.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.557 15.720 -20.678 1.00 0.00 H new ATOM 275 N ALA A 17 -0.288 18.852 -14.823 1.00 0.00 N ATOM 276 CA ALA A 17 -1.636 18.569 -14.305 1.00 0.00 C ATOM 277 C ALA A 17 -2.639 19.616 -14.815 1.00 0.00 C ATOM 278 O ALA A 17 -3.827 19.328 -14.935 1.00 0.00 O ATOM 279 CB ALA A 17 -1.620 18.521 -12.774 1.00 0.00 C ATOM 0 H ALA A 17 0.354 19.219 -14.120 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.954 17.593 -14.671 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.624 18.311 -12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.940 17.736 -12.442 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.284 19.482 -12.383 1.00 0.00 H new ATOM 285 N LEU A 18 -2.137 20.831 -15.125 1.00 0.00 N ATOM 286 CA LEU A 18 -2.948 21.894 -15.753 1.00 0.00 C ATOM 287 C LEU A 18 -3.271 21.509 -17.201 1.00 0.00 C ATOM 288 O LEU A 18 -4.374 21.767 -17.696 1.00 0.00 O ATOM 289 CB LEU A 18 -2.236 23.277 -15.727 1.00 0.00 C ATOM 290 CG LEU A 18 -1.757 23.792 -14.337 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.189 25.224 -14.416 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.860 23.668 -13.275 1.00 0.00 C ATOM 0 H LEU A 18 -1.169 21.100 -14.949 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.866 21.988 -15.173 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.371 23.226 -16.388 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.916 24.018 -16.148 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.937 23.147 -14.022 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.867 25.543 -13.425 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.338 25.241 -15.097 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.960 25.902 -14.783 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.488 24.037 -12.319 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.726 24.256 -13.579 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.150 22.622 -13.172 1.00 0.00 H new ATOM 304 N GLU A 19 -2.275 20.899 -17.869 1.00 0.00 N ATOM 305 CA GLU A 19 -2.408 20.405 -19.246 1.00 0.00 C ATOM 306 C GLU A 19 -3.367 19.206 -19.315 1.00 0.00 C ATOM 307 O GLU A 19 -4.374 19.264 -20.015 1.00 0.00 O ATOM 308 CB GLU A 19 -1.018 20.021 -19.818 1.00 0.00 C ATOM 309 CG GLU A 19 -0.034 21.199 -19.944 1.00 0.00 C ATOM 310 CD GLU A 19 -0.532 22.328 -20.865 1.00 0.00 C ATOM 311 OE1 GLU A 19 -0.621 22.107 -22.093 1.00 0.00 O ATOM 312 OE2 GLU A 19 -0.847 23.435 -20.371 1.00 0.00 O ATOM 0 H GLU A 19 -1.353 20.736 -17.465 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.828 21.207 -19.853 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.573 19.259 -19.178 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.155 19.571 -20.801 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.156 21.609 -18.952 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.918 20.827 -20.323 1.00 0.00 H new ATOM 319 N ILE A 20 -3.050 18.149 -18.552 1.00 0.00 N ATOM 320 CA ILE A 20 -3.793 16.878 -18.568 1.00 0.00 C ATOM 321 C ILE A 20 -5.193 17.085 -17.983 1.00 0.00 C ATOM 322 O ILE A 20 -6.173 16.754 -18.631 1.00 0.00 O ATOM 323 CB ILE A 20 -3.023 15.736 -17.800 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.584 15.530 -18.381 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.811 14.401 -17.812 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.518 15.199 -19.864 1.00 0.00 C ATOM 0 H ILE A 20 -2.265 18.151 -17.901 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.886 16.555 -19.605 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.930 16.058 -16.763 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.006 16.437 -18.203 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.098 14.728 -17.825 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.246 13.640 -17.273 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.778 14.545 -17.330 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.963 14.078 -18.842 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.477 15.077 -20.164 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.062 14.274 -20.055 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.968 16.009 -20.438 1.00 0.00 H new ATOM 338 N GLY A 21 -5.266 17.675 -16.782 1.00 0.00 N ATOM 339 CA GLY A 21 -6.547 17.982 -16.130 1.00 0.00 C ATOM 340 C GLY A 21 -7.394 18.966 -16.941 1.00 0.00 C ATOM 341 O GLY A 21 -8.625 18.849 -16.973 1.00 0.00 O ATOM 0 H GLY A 21 -4.448 17.951 -16.239 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.108 17.059 -15.984 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.357 18.399 -15.141 1.00 0.00 H new ATOM 345 N GLY A 22 -6.720 19.933 -17.604 1.00 0.00 N ATOM 346 CA GLY A 22 -7.384 20.894 -18.491 1.00 0.00 C ATOM 347 C GLY A 22 -8.020 20.242 -19.722 1.00 0.00 C ATOM 348 O GLY A 22 -9.182 20.524 -20.045 1.00 0.00 O ATOM 0 H GLY A 22 -5.711 20.062 -17.535 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.154 21.424 -17.930 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.658 21.639 -18.817 1.00 0.00 H new ATOM 352 N LYS A 23 -7.262 19.354 -20.405 1.00 0.00 N ATOM 353 CA LYS A 23 -7.728 18.701 -21.654 1.00 0.00 C ATOM 354 C LYS A 23 -8.737 17.587 -21.350 1.00 0.00 C ATOM 355 O LYS A 23 -9.639 17.337 -22.145 1.00 0.00 O ATOM 356 CB LYS A 23 -6.537 18.194 -22.535 1.00 0.00 C ATOM 357 CG LYS A 23 -5.578 17.141 -21.913 1.00 0.00 C ATOM 358 CD LYS A 23 -6.029 15.668 -22.058 1.00 0.00 C ATOM 359 CE LYS A 23 -5.024 14.684 -21.436 1.00 0.00 C ATOM 360 NZ LYS A 23 -5.401 13.269 -21.658 1.00 0.00 N ATOM 0 H LYS A 23 -6.326 19.072 -20.114 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.244 19.457 -22.245 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.952 17.771 -23.450 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.942 19.060 -22.826 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.597 17.250 -22.375 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.458 17.364 -20.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.001 15.540 -21.582 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.158 15.432 -23.114 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.036 14.864 -21.859 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.951 14.873 -20.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.692 12.648 -21.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.332 13.087 -21.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.445 13.078 -22.679 1.00 0.00 H new ATOM 374 N MET A 24 -8.571 16.929 -20.192 1.00 0.00 N ATOM 375 CA MET A 24 -9.524 15.918 -19.695 1.00 0.00 C ATOM 376 C MET A 24 -10.889 16.581 -19.476 1.00 0.00 C ATOM 377 O MET A 24 -11.876 16.155 -20.065 1.00 0.00 O ATOM 378 CB MET A 24 -9.005 15.262 -18.382 1.00 0.00 C ATOM 379 CG MET A 24 -7.934 14.179 -18.581 1.00 0.00 C ATOM 380 SD MET A 24 -7.155 13.653 -17.031 1.00 0.00 S ATOM 381 CE MET A 24 -8.541 13.057 -16.064 1.00 0.00 C ATOM 0 H MET A 24 -7.775 17.081 -19.573 1.00 0.00 H new ATOM 0 HA MET A 24 -9.625 15.124 -20.435 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.597 16.042 -17.739 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.851 14.823 -17.853 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.387 13.314 -19.065 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.166 14.556 -19.257 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.174 12.596 -15.147 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.195 13.892 -15.813 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.098 12.320 -16.643 1.00 0.00 H new ATOM 391 N ALA A 25 -10.894 17.675 -18.682 1.00 0.00 N ATOM 392 CA ALA A 25 -12.097 18.492 -18.417 1.00 0.00 C ATOM 393 C ALA A 25 -12.755 18.939 -19.728 1.00 0.00 C ATOM 394 O ALA A 25 -13.960 18.768 -19.911 1.00 0.00 O ATOM 395 CB ALA A 25 -11.737 19.709 -17.549 1.00 0.00 C ATOM 0 H ALA A 25 -10.059 18.017 -18.205 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.814 17.878 -17.873 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.633 20.301 -17.363 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.323 19.369 -16.600 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.000 20.321 -18.068 1.00 0.00 H new ATOM 401 N LYS A 26 -11.915 19.451 -20.644 1.00 0.00 N ATOM 402 CA LYS A 26 -12.321 19.910 -21.984 1.00 0.00 C ATOM 403 C LYS A 26 -13.216 18.877 -22.686 1.00 0.00 C ATOM 404 O LYS A 26 -14.408 19.127 -22.904 1.00 0.00 O ATOM 405 CB LYS A 26 -11.060 20.193 -22.842 1.00 0.00 C ATOM 406 CG LYS A 26 -11.325 20.653 -24.298 1.00 0.00 C ATOM 407 CD LYS A 26 -10.049 20.631 -25.178 1.00 0.00 C ATOM 408 CE LYS A 26 -8.894 21.466 -24.600 1.00 0.00 C ATOM 409 NZ LYS A 26 -7.730 21.504 -25.521 1.00 0.00 N ATOM 0 H LYS A 26 -10.916 19.560 -20.471 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.900 20.827 -21.869 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.467 20.958 -22.341 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.453 19.288 -22.871 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.081 20.008 -24.746 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.735 21.663 -24.286 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.717 19.600 -25.298 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.296 21.004 -26.172 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.240 22.482 -24.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.586 21.048 -23.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.971 22.076 -25.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.385 20.537 -25.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.018 21.926 -26.427 1.00 0.00 H new ATOM 423 N MET A 27 -12.628 17.691 -22.919 1.00 0.00 N ATOM 424 CA MET A 27 -13.240 16.603 -23.703 1.00 0.00 C ATOM 425 C MET A 27 -14.473 15.999 -23.001 1.00 0.00 C ATOM 426 O MET A 27 -15.409 15.534 -23.668 1.00 0.00 O ATOM 427 CB MET A 27 -12.183 15.510 -23.955 1.00 0.00 C ATOM 428 CG MET A 27 -10.946 15.987 -24.744 1.00 0.00 C ATOM 429 SD MET A 27 -9.698 14.698 -24.981 1.00 0.00 S ATOM 430 CE MET A 27 -9.301 14.219 -23.298 1.00 0.00 C ATOM 0 H MET A 27 -11.701 17.457 -22.563 1.00 0.00 H new ATOM 0 HA MET A 27 -13.586 17.020 -24.649 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.855 15.111 -22.995 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.650 14.689 -24.498 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.267 16.355 -25.719 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.493 16.828 -24.219 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.495 13.485 -23.309 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.984 15.097 -22.735 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.182 13.784 -22.826 1.00 0.00 H new ATOM 440 N GLN A 28 -14.448 15.992 -21.651 1.00 0.00 N ATOM 441 CA GLN A 28 -15.599 15.582 -20.821 1.00 0.00 C ATOM 442 C GLN A 28 -16.778 16.564 -21.018 1.00 0.00 C ATOM 443 O GLN A 28 -17.944 16.177 -20.912 1.00 0.00 O ATOM 444 CB GLN A 28 -15.198 15.504 -19.317 1.00 0.00 C ATOM 445 CG GLN A 28 -14.164 14.418 -18.957 1.00 0.00 C ATOM 446 CD GLN A 28 -14.579 13.001 -19.359 1.00 0.00 C ATOM 447 OE1 GLN A 28 -14.291 12.537 -20.461 1.00 0.00 O ATOM 448 NE2 GLN A 28 -15.260 12.297 -18.467 1.00 0.00 N ATOM 0 H GLN A 28 -13.631 16.270 -21.108 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.915 14.588 -21.139 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.800 16.473 -19.015 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.099 15.332 -18.728 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.217 14.659 -19.441 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.988 14.442 -17.882 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.486 12.705 -17.560 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.558 11.347 -18.687 1.00 0.00 H new ATOM 457 N GLY A 29 -16.450 17.836 -21.303 1.00 0.00 N ATOM 458 CA GLY A 29 -17.447 18.850 -21.673 1.00 0.00 C ATOM 459 C GLY A 29 -17.336 20.105 -20.830 1.00 0.00 C ATOM 460 O GLY A 29 -18.357 20.690 -20.438 1.00 0.00 O ATOM 0 H GLY A 29 -15.492 18.186 -21.283 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.324 19.110 -22.724 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.447 18.429 -21.564 1.00 0.00 H new ATOM 464 N PHE A 30 -16.088 20.541 -20.558 1.00 0.00 N ATOM 465 CA PHE A 30 -15.822 21.680 -19.636 1.00 0.00 C ATOM 466 C PHE A 30 -14.779 22.636 -20.241 1.00 0.00 C ATOM 467 O PHE A 30 -14.228 22.376 -21.314 1.00 0.00 O ATOM 468 CB PHE A 30 -15.342 21.176 -18.242 1.00 0.00 C ATOM 469 CG PHE A 30 -16.302 20.207 -17.550 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.449 20.670 -16.907 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.059 18.830 -17.544 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.324 19.785 -16.296 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.932 17.953 -16.935 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.061 18.432 -16.304 1.00 0.00 C ATOM 0 H PHE A 30 -15.247 20.127 -20.959 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.758 22.221 -19.500 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.375 20.687 -18.360 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.186 22.038 -17.593 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.658 21.729 -16.885 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.171 18.446 -18.025 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.215 20.157 -15.812 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.732 16.892 -16.952 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.739 17.747 -15.816 1.00 0.00 H new ATOM 484 N ASP A 31 -14.528 23.751 -19.540 1.00 0.00 N ATOM 485 CA ASP A 31 -13.533 24.754 -19.932 1.00 0.00 C ATOM 486 C ASP A 31 -13.024 25.459 -18.665 1.00 0.00 C ATOM 487 O ASP A 31 -13.724 26.300 -18.090 1.00 0.00 O ATOM 488 CB ASP A 31 -14.148 25.764 -20.945 1.00 0.00 C ATOM 489 CG ASP A 31 -13.148 26.841 -21.400 1.00 0.00 C ATOM 490 OD1 ASP A 31 -12.286 26.544 -22.261 1.00 0.00 O ATOM 491 OD2 ASP A 31 -13.198 27.978 -20.885 1.00 0.00 O ATOM 0 H ASP A 31 -15.017 23.982 -18.675 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.692 24.274 -20.432 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.510 25.220 -21.817 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.012 26.247 -20.489 1.00 0.00 H new ATOM 496 N LEU A 32 -11.823 25.071 -18.211 1.00 0.00 N ATOM 497 CA LEU A 32 -11.210 25.610 -16.986 1.00 0.00 C ATOM 498 C LEU A 32 -10.522 26.963 -17.293 1.00 0.00 C ATOM 499 O LEU A 32 -9.750 27.031 -18.259 1.00 0.00 O ATOM 500 CB LEU A 32 -10.189 24.582 -16.419 1.00 0.00 C ATOM 501 CG LEU A 32 -10.763 23.165 -16.080 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.654 22.227 -15.563 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.935 23.257 -15.070 1.00 0.00 C ATOM 0 H LEU A 32 -11.248 24.373 -18.683 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.981 25.783 -16.235 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.383 24.463 -17.143 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.746 24.999 -15.515 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.158 22.739 -17.002 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.081 21.250 -15.335 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.884 22.118 -16.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.212 22.649 -14.661 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.310 22.256 -14.856 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.584 23.718 -14.147 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.736 23.862 -15.496 1.00 0.00 H new ATOM 515 N PRO A 33 -10.832 28.064 -16.510 1.00 0.00 N ATOM 516 CA PRO A 33 -10.159 29.394 -16.639 1.00 0.00 C ATOM 517 C PRO A 33 -8.619 29.287 -16.718 1.00 0.00 C ATOM 518 O PRO A 33 -7.982 28.691 -15.836 1.00 0.00 O ATOM 519 CB PRO A 33 -10.616 30.127 -15.352 1.00 0.00 C ATOM 520 CG PRO A 33 -11.975 29.572 -15.087 1.00 0.00 C ATOM 521 CD PRO A 33 -11.898 28.105 -15.470 1.00 0.00 C ATOM 0 HA PRO A 33 -10.427 29.911 -17.561 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.937 29.936 -14.521 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.647 31.207 -15.497 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.249 29.690 -14.039 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.732 30.091 -15.675 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.645 27.481 -14.613 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.850 27.743 -15.858 1.00 0.00 H new ATOM 529 N GLN A 34 -8.028 29.861 -17.790 1.00 0.00 N ATOM 530 CA GLN A 34 -6.615 29.633 -18.147 1.00 0.00 C ATOM 531 C GLN A 34 -5.797 30.937 -18.287 1.00 0.00 C ATOM 532 O GLN A 34 -4.585 30.939 -18.016 1.00 0.00 O ATOM 533 CB GLN A 34 -6.547 28.819 -19.466 1.00 0.00 C ATOM 534 CG GLN A 34 -7.108 29.544 -20.706 1.00 0.00 C ATOM 535 CD GLN A 34 -6.940 28.745 -21.988 1.00 0.00 C ATOM 536 OE1 GLN A 34 -5.925 28.852 -22.673 1.00 0.00 O ATOM 537 NE2 GLN A 34 -7.934 27.930 -22.316 1.00 0.00 N ATOM 0 H GLN A 34 -8.516 30.491 -18.427 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.163 29.077 -17.326 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.508 28.552 -19.658 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.095 27.887 -19.329 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.167 29.752 -20.550 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.607 30.506 -20.815 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.761 27.869 -21.722 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.872 27.365 -23.163 1.00 0.00 H new ATOM 546 N SER A 35 -6.473 32.031 -18.682 1.00 0.00 N ATOM 547 CA SER A 35 -5.812 33.262 -19.158 1.00 0.00 C ATOM 548 C SER A 35 -4.861 33.945 -18.108 1.00 0.00 C ATOM 549 O SER A 35 -3.730 34.277 -18.483 1.00 0.00 O ATOM 550 CB SER A 35 -6.871 34.241 -19.742 1.00 0.00 C ATOM 551 OG SER A 35 -8.000 34.365 -18.892 1.00 0.00 O ATOM 0 H SER A 35 -7.491 32.088 -18.681 1.00 0.00 H new ATOM 0 HA SER A 35 -5.132 32.964 -19.956 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.418 35.221 -19.889 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.191 33.888 -20.722 1.00 0.00 H new ATOM 0 HG SER A 35 -8.642 34.989 -19.290 1.00 0.00 H new ATOM 557 N PRO A 36 -5.249 34.170 -16.793 1.00 0.00 N ATOM 558 CA PRO A 36 -4.324 34.813 -15.817 1.00 0.00 C ATOM 559 C PRO A 36 -3.189 33.882 -15.316 1.00 0.00 C ATOM 560 O PRO A 36 -2.135 34.384 -14.931 1.00 0.00 O ATOM 561 CB PRO A 36 -5.265 35.251 -14.666 1.00 0.00 C ATOM 562 CG PRO A 36 -6.384 34.264 -14.696 1.00 0.00 C ATOM 563 CD PRO A 36 -6.571 33.868 -16.154 1.00 0.00 C ATOM 0 HA PRO A 36 -3.777 35.639 -16.270 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.750 35.236 -13.706 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.629 36.267 -14.817 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.150 33.393 -14.084 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.297 34.701 -14.292 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.827 32.813 -16.250 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.377 34.435 -16.620 1.00 0.00 H new ATOM 571 N GLN A 37 -3.466 32.539 -15.313 1.00 0.00 N ATOM 572 CA GLN A 37 -2.548 31.409 -14.913 1.00 0.00 C ATOM 573 C GLN A 37 -2.811 30.778 -13.489 1.00 0.00 C ATOM 574 O GLN A 37 -3.023 29.563 -13.426 1.00 0.00 O ATOM 575 CB GLN A 37 -1.015 31.677 -15.139 1.00 0.00 C ATOM 576 CG GLN A 37 -0.588 31.904 -16.617 1.00 0.00 C ATOM 577 CD GLN A 37 -0.824 30.697 -17.536 1.00 0.00 C ATOM 578 OE1 GLN A 37 -0.740 29.542 -17.115 1.00 0.00 O ATOM 579 NE2 GLN A 37 -1.124 30.957 -18.807 1.00 0.00 N ATOM 0 H GLN A 37 -4.381 32.193 -15.603 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.842 30.648 -15.636 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.727 32.552 -14.557 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.453 30.831 -14.742 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.135 32.760 -17.013 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.471 32.163 -16.641 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.187 31.923 -19.129 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.291 30.190 -19.459 1.00 0.00 H new ATOM 588 N PRO A 38 -2.812 31.532 -12.313 1.00 0.00 N ATOM 589 CA PRO A 38 -2.940 30.889 -10.963 1.00 0.00 C ATOM 590 C PRO A 38 -4.308 30.199 -10.736 1.00 0.00 C ATOM 591 O PRO A 38 -4.415 29.229 -9.970 1.00 0.00 O ATOM 592 CB PRO A 38 -2.722 32.063 -9.967 1.00 0.00 C ATOM 593 CG PRO A 38 -2.086 33.142 -10.783 1.00 0.00 C ATOM 594 CD PRO A 38 -2.687 32.999 -12.161 1.00 0.00 C ATOM 0 HA PRO A 38 -2.219 30.080 -10.840 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.666 32.397 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.081 31.764 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.292 34.127 -10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.002 33.028 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.654 33.497 -12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.046 33.432 -12.929 1.00 0.00 H new ATOM 602 N VAL A 39 -5.342 30.707 -11.426 1.00 0.00 N ATOM 603 CA VAL A 39 -6.719 30.183 -11.320 1.00 0.00 C ATOM 604 C VAL A 39 -6.835 28.779 -11.947 1.00 0.00 C ATOM 605 O VAL A 39 -7.761 28.037 -11.611 1.00 0.00 O ATOM 606 CB VAL A 39 -7.761 31.143 -11.987 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.693 32.558 -11.368 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.579 31.185 -13.523 1.00 0.00 C ATOM 0 H VAL A 39 -5.250 31.491 -12.072 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.944 30.116 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.756 30.747 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.428 33.202 -11.851 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.908 32.499 -10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.695 32.972 -11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.316 31.860 -13.958 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.577 31.541 -13.761 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.716 30.184 -13.933 1.00 0.00 H new ATOM 618 N ARG A 40 -5.898 28.438 -12.868 1.00 0.00 N ATOM 619 CA ARG A 40 -5.841 27.103 -13.501 1.00 0.00 C ATOM 620 C ARG A 40 -5.654 26.032 -12.427 1.00 0.00 C ATOM 621 O ARG A 40 -6.384 25.064 -12.389 1.00 0.00 O ATOM 622 CB ARG A 40 -4.669 26.985 -14.509 1.00 0.00 C ATOM 623 CG ARG A 40 -4.689 28.004 -15.649 1.00 0.00 C ATOM 624 CD ARG A 40 -3.506 27.852 -16.614 1.00 0.00 C ATOM 625 NE ARG A 40 -3.511 26.553 -17.304 1.00 0.00 N ATOM 626 CZ ARG A 40 -2.515 26.085 -18.077 1.00 0.00 C ATOM 627 NH1 ARG A 40 -1.395 26.785 -18.250 1.00 0.00 N ATOM 628 NH2 ARG A 40 -2.647 24.908 -18.662 1.00 0.00 N ATOM 0 H ARG A 40 -5.169 29.076 -13.188 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.779 26.962 -14.038 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.730 27.090 -13.965 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.679 25.983 -14.938 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.620 27.899 -16.206 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.681 29.010 -15.229 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.537 28.653 -17.352 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.573 27.964 -16.062 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.334 25.961 -17.187 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.283 27.690 -17.793 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.649 26.416 -18.840 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.498 24.363 -18.525 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.897 24.544 -19.250 1.00 0.00 H new ATOM 642 N VAL A 41 -4.670 26.274 -11.553 1.00 0.00 N ATOM 643 CA VAL A 41 -4.254 25.351 -10.481 1.00 0.00 C ATOM 644 C VAL A 41 -5.464 24.952 -9.597 1.00 0.00 C ATOM 645 O VAL A 41 -5.757 23.759 -9.394 1.00 0.00 O ATOM 646 CB VAL A 41 -3.089 26.026 -9.643 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.629 25.158 -8.459 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.886 26.378 -10.565 1.00 0.00 C ATOM 0 H VAL A 41 -4.126 27.136 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.872 24.426 -10.913 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.495 26.945 -9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.831 25.669 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.469 24.987 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.261 24.201 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.096 26.840 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.506 25.468 -11.030 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.212 27.072 -11.339 1.00 0.00 H new ATOM 658 N LYS A 42 -6.206 25.981 -9.191 1.00 0.00 N ATOM 659 CA LYS A 42 -7.404 25.867 -8.345 1.00 0.00 C ATOM 660 C LYS A 42 -8.527 25.091 -9.103 1.00 0.00 C ATOM 661 O LYS A 42 -9.090 24.118 -8.580 1.00 0.00 O ATOM 662 CB LYS A 42 -7.835 27.321 -7.966 1.00 0.00 C ATOM 663 CG LYS A 42 -8.803 27.500 -6.768 1.00 0.00 C ATOM 664 CD LYS A 42 -10.221 26.938 -7.002 1.00 0.00 C ATOM 665 CE LYS A 42 -11.264 27.505 -6.033 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.941 27.203 -4.612 1.00 0.00 N ATOM 0 H LYS A 42 -5.989 26.945 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.203 25.300 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.932 27.894 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.300 27.771 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.372 27.013 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.881 28.562 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.528 27.158 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.195 25.853 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.331 28.585 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.243 27.093 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.713 26.647 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.056 26.658 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.828 28.092 -4.085 1.00 0.00 H new ATOM 680 N ALA A 43 -8.835 25.562 -10.325 1.00 0.00 N ATOM 681 CA ALA A 43 -9.883 24.992 -11.218 1.00 0.00 C ATOM 682 C ALA A 43 -9.663 23.495 -11.548 1.00 0.00 C ATOM 683 O ALA A 43 -10.614 22.700 -11.542 1.00 0.00 O ATOM 684 CB ALA A 43 -9.960 25.801 -12.527 1.00 0.00 C ATOM 0 H ALA A 43 -8.358 26.365 -10.735 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.823 25.062 -10.670 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.729 25.376 -13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.209 26.838 -12.300 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.997 25.762 -13.036 1.00 0.00 H new ATOM 690 N VAL A 44 -8.403 23.138 -11.852 1.00 0.00 N ATOM 691 CA VAL A 44 -8.001 21.758 -12.186 1.00 0.00 C ATOM 692 C VAL A 44 -8.216 20.855 -10.971 1.00 0.00 C ATOM 693 O VAL A 44 -8.793 19.784 -11.100 1.00 0.00 O ATOM 694 CB VAL A 44 -6.504 21.675 -12.677 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.032 20.209 -12.856 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.315 22.456 -13.998 1.00 0.00 C ATOM 0 H VAL A 44 -7.629 23.802 -11.873 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.625 21.418 -13.013 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.889 22.132 -11.901 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.996 20.199 -13.195 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.107 19.684 -11.904 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.660 19.712 -13.595 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.275 22.385 -14.317 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.961 22.032 -14.767 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.576 23.503 -13.842 1.00 0.00 H new ATOM 706 N TYR A 45 -7.774 21.337 -9.795 1.00 0.00 N ATOM 707 CA TYR A 45 -8.004 20.661 -8.505 1.00 0.00 C ATOM 708 C TYR A 45 -9.499 20.327 -8.298 1.00 0.00 C ATOM 709 O TYR A 45 -9.836 19.188 -7.959 1.00 0.00 O ATOM 710 CB TYR A 45 -7.465 21.553 -7.360 1.00 0.00 C ATOM 711 CG TYR A 45 -8.000 21.231 -5.965 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.446 20.215 -5.180 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.083 21.948 -5.435 1.00 0.00 C ATOM 714 CE1 TYR A 45 -7.956 19.928 -3.927 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.585 21.664 -4.192 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.024 20.657 -3.442 1.00 0.00 C ATOM 717 OH TYR A 45 -9.547 20.374 -2.211 1.00 0.00 O ATOM 0 H TYR A 45 -7.247 22.206 -9.712 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.467 19.712 -8.503 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.378 21.471 -7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.703 22.592 -7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.609 19.647 -5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.530 22.740 -6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.522 19.139 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.419 22.229 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.520 20.281 -2.282 1.00 0.00 H new ATOM 727 N LEU A 46 -10.372 21.336 -8.514 1.00 0.00 N ATOM 728 CA LEU A 46 -11.841 21.185 -8.361 1.00 0.00 C ATOM 729 C LEU A 46 -12.376 20.068 -9.273 1.00 0.00 C ATOM 730 O LEU A 46 -13.160 19.210 -8.833 1.00 0.00 O ATOM 731 CB LEU A 46 -12.577 22.514 -8.676 1.00 0.00 C ATOM 732 CG LEU A 46 -12.310 23.704 -7.705 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.149 24.931 -8.107 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.563 23.312 -6.229 1.00 0.00 C ATOM 0 H LEU A 46 -10.084 22.272 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.034 20.917 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.301 22.827 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.649 22.316 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.256 23.967 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.948 25.751 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.885 25.236 -9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.208 24.676 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.365 24.170 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.600 22.999 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.902 22.491 -5.952 1.00 0.00 H new ATOM 746 N PHE A 47 -11.918 20.091 -10.540 1.00 0.00 N ATOM 747 CA PHE A 47 -12.260 19.074 -11.549 1.00 0.00 C ATOM 748 C PHE A 47 -11.833 17.667 -11.076 1.00 0.00 C ATOM 749 O PHE A 47 -12.620 16.727 -11.141 1.00 0.00 O ATOM 750 CB PHE A 47 -11.603 19.427 -12.927 1.00 0.00 C ATOM 751 CG PHE A 47 -11.488 18.247 -13.902 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.624 17.642 -14.451 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.239 17.712 -14.235 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.510 16.544 -15.291 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.128 16.625 -15.078 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.263 16.039 -15.604 1.00 0.00 C ATOM 0 H PHE A 47 -11.297 20.820 -10.892 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.342 19.068 -11.679 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.186 20.217 -13.401 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.607 19.831 -12.747 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.602 18.035 -14.218 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.345 18.158 -13.825 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.397 16.084 -15.701 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.153 16.232 -15.327 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.175 15.186 -16.260 1.00 0.00 H new ATOM 766 N LEU A 48 -10.584 17.555 -10.604 1.00 0.00 N ATOM 767 CA LEU A 48 -9.984 16.274 -10.195 1.00 0.00 C ATOM 768 C LEU A 48 -10.725 15.640 -8.998 1.00 0.00 C ATOM 769 O LEU A 48 -11.015 14.449 -9.018 1.00 0.00 O ATOM 770 CB LEU A 48 -8.483 16.453 -9.865 1.00 0.00 C ATOM 771 CG LEU A 48 -7.561 16.913 -11.034 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.100 17.016 -10.571 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.697 16.000 -12.269 1.00 0.00 C ATOM 0 H LEU A 48 -9.958 18.352 -10.494 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.082 15.591 -11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.396 17.179 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.103 15.505 -9.484 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.890 17.907 -11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.476 17.339 -11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.026 17.741 -9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.760 16.042 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.037 16.357 -13.060 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.422 14.980 -12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.728 16.017 -12.622 1.00 0.00 H new ATOM 785 N VAL A 49 -11.040 16.443 -7.969 1.00 0.00 N ATOM 786 CA VAL A 49 -11.746 15.949 -6.762 1.00 0.00 C ATOM 787 C VAL A 49 -13.179 15.500 -7.132 1.00 0.00 C ATOM 788 O VAL A 49 -13.665 14.461 -6.665 1.00 0.00 O ATOM 789 CB VAL A 49 -11.795 17.029 -5.614 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.537 16.491 -4.365 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.372 17.504 -5.237 1.00 0.00 C ATOM 0 H VAL A 49 -10.819 17.439 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.182 15.097 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.352 17.885 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.553 17.260 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.559 16.226 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.021 15.608 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.435 18.248 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.784 16.654 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.892 17.945 -6.111 1.00 0.00 H new ATOM 801 N ASP A 50 -13.818 16.295 -8.011 1.00 0.00 N ATOM 802 CA ASP A 50 -15.157 15.997 -8.569 1.00 0.00 C ATOM 803 C ASP A 50 -15.136 14.690 -9.386 1.00 0.00 C ATOM 804 O ASP A 50 -16.065 13.879 -9.317 1.00 0.00 O ATOM 805 CB ASP A 50 -15.619 17.176 -9.463 1.00 0.00 C ATOM 806 CG ASP A 50 -17.012 16.977 -10.098 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.022 17.054 -9.367 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.100 16.745 -11.325 1.00 0.00 O ATOM 0 H ASP A 50 -13.420 17.168 -8.358 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.858 15.868 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.631 18.088 -8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.887 17.324 -10.257 1.00 0.00 H new ATOM 813 N ALA A 51 -14.046 14.497 -10.140 1.00 0.00 N ATOM 814 CA ALA A 51 -13.851 13.332 -11.023 1.00 0.00 C ATOM 815 C ALA A 51 -13.163 12.166 -10.271 1.00 0.00 C ATOM 816 O ALA A 51 -12.706 11.201 -10.897 1.00 0.00 O ATOM 817 CB ALA A 51 -13.043 13.766 -12.257 1.00 0.00 C ATOM 0 H ALA A 51 -13.264 15.151 -10.157 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.823 12.962 -11.350 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.895 12.909 -12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.586 14.545 -12.792 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.074 14.152 -11.940 1.00 0.00 H new ATOM 823 N LYS A 52 -13.068 12.300 -8.925 1.00 0.00 N ATOM 824 CA LYS A 52 -12.600 11.240 -7.985 1.00 0.00 C ATOM 825 C LYS A 52 -11.133 10.823 -8.245 1.00 0.00 C ATOM 826 O LYS A 52 -10.691 9.749 -7.831 1.00 0.00 O ATOM 827 CB LYS A 52 -13.569 10.010 -7.987 1.00 0.00 C ATOM 828 CG LYS A 52 -15.074 10.376 -7.877 1.00 0.00 C ATOM 829 CD LYS A 52 -15.390 11.345 -6.707 1.00 0.00 C ATOM 830 CE LYS A 52 -16.831 11.884 -6.750 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.064 12.927 -5.713 1.00 0.00 N ATOM 0 H LYS A 52 -13.319 13.166 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.620 11.671 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.412 9.442 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.306 9.355 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.399 10.831 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.654 9.462 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.228 10.829 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.693 12.182 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.033 12.301 -7.736 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.531 11.062 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.046 13.265 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.896 12.523 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.414 13.723 -5.869 1.00 0.00 H new ATOM 845 N GLN A 53 -10.395 11.718 -8.913 1.00 0.00 N ATOM 846 CA GLN A 53 -8.966 11.572 -9.225 1.00 0.00 C ATOM 847 C GLN A 53 -8.114 11.735 -7.950 1.00 0.00 C ATOM 848 O GLN A 53 -7.145 10.998 -7.739 1.00 0.00 O ATOM 849 CB GLN A 53 -8.566 12.640 -10.276 1.00 0.00 C ATOM 850 CG GLN A 53 -9.380 12.609 -11.588 1.00 0.00 C ATOM 851 CD GLN A 53 -9.147 11.365 -12.451 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.060 10.788 -12.458 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.169 10.941 -13.187 1.00 0.00 N ATOM 0 H GLN A 53 -10.788 12.592 -9.263 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.786 10.575 -9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.671 13.627 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.511 12.511 -10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.440 12.673 -11.344 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.134 13.494 -12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.058 11.440 -13.161 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.064 10.117 -13.778 1.00 0.00 H new ATOM 862 N ILE A 54 -8.497 12.722 -7.107 1.00 0.00 N ATOM 863 CA ILE A 54 -7.830 13.016 -5.816 1.00 0.00 C ATOM 864 C ILE A 54 -8.870 13.318 -4.725 1.00 0.00 C ATOM 865 O ILE A 54 -10.028 13.631 -5.022 1.00 0.00 O ATOM 866 CB ILE A 54 -6.826 14.238 -5.900 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.534 15.488 -6.508 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.557 13.864 -6.678 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.676 16.737 -6.627 1.00 0.00 C ATOM 0 H ILE A 54 -9.283 13.341 -7.305 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.258 12.122 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.513 14.495 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.904 15.227 -7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.404 15.724 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.888 14.724 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.054 13.036 -6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.826 13.566 -7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.266 17.544 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.327 17.034 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.819 16.530 -7.267 1.00 0.00 H new ATOM 881 N ALA A 55 -8.411 13.239 -3.466 1.00 0.00 N ATOM 882 CA ALA A 55 -9.198 13.569 -2.269 1.00 0.00 C ATOM 883 C ALA A 55 -9.236 15.105 -2.064 1.00 0.00 C ATOM 884 O ALA A 55 -8.336 15.808 -2.542 1.00 0.00 O ATOM 885 CB ALA A 55 -8.577 12.863 -1.044 1.00 0.00 C ATOM 0 H ALA A 55 -7.461 12.937 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.224 13.222 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.156 13.104 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.586 11.785 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.549 13.201 -0.911 1.00 0.00 H new ATOM 891 N PRO A 56 -10.274 15.663 -1.366 1.00 0.00 N ATOM 892 CA PRO A 56 -10.348 17.113 -1.075 1.00 0.00 C ATOM 893 C PRO A 56 -9.398 17.544 0.062 1.00 0.00 C ATOM 894 O PRO A 56 -8.895 16.722 0.837 1.00 0.00 O ATOM 895 CB PRO A 56 -11.828 17.306 -0.673 1.00 0.00 C ATOM 896 CG PRO A 56 -12.196 16.006 -0.030 1.00 0.00 C ATOM 897 CD PRO A 56 -11.473 14.943 -0.833 1.00 0.00 C ATOM 0 HA PRO A 56 -10.039 17.723 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.950 18.142 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.454 17.515 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.890 15.984 1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.274 15.849 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.188 14.095 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.097 14.553 -1.637 1.00 0.00 H new ATOM 905 N LEU A 57 -9.161 18.850 0.121 1.00 0.00 N ATOM 906 CA LEU A 57 -8.384 19.516 1.169 1.00 0.00 C ATOM 907 C LEU A 57 -9.356 20.234 2.120 1.00 0.00 C ATOM 908 O LEU A 57 -10.470 20.596 1.702 1.00 0.00 O ATOM 909 CB LEU A 57 -7.415 20.553 0.526 1.00 0.00 C ATOM 910 CG LEU A 57 -6.236 19.967 -0.315 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.513 21.074 -1.113 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.241 19.192 0.585 1.00 0.00 C ATOM 0 H LEU A 57 -9.515 19.499 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.798 18.781 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.998 21.214 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.995 21.169 1.322 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.659 19.263 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.698 20.635 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.219 21.553 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.112 21.817 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.431 18.795 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.831 19.865 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.760 18.370 1.077 1.00 0.00 H new ATOM 924 N PRO A 58 -8.975 20.442 3.417 1.00 0.00 N ATOM 925 CA PRO A 58 -9.732 21.341 4.316 1.00 0.00 C ATOM 926 C PRO A 58 -9.649 22.802 3.836 1.00 0.00 C ATOM 927 O PRO A 58 -8.707 23.174 3.134 1.00 0.00 O ATOM 928 CB PRO A 58 -9.040 21.144 5.690 1.00 0.00 C ATOM 929 CG PRO A 58 -7.669 20.649 5.364 1.00 0.00 C ATOM 930 CD PRO A 58 -7.822 19.808 4.115 1.00 0.00 C ATOM 0 HA PRO A 58 -10.798 21.115 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.000 22.079 6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.583 20.427 6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.983 21.479 5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.260 20.060 6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.920 19.828 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.021 18.764 4.355 1.00 0.00 H new ATOM 938 N ASP A 59 -10.637 23.619 4.229 1.00 0.00 N ATOM 939 CA ASP A 59 -10.713 25.052 3.855 1.00 0.00 C ATOM 940 C ASP A 59 -9.496 25.840 4.365 1.00 0.00 C ATOM 941 O ASP A 59 -9.102 26.848 3.768 1.00 0.00 O ATOM 942 CB ASP A 59 -12.025 25.674 4.390 1.00 0.00 C ATOM 943 CG ASP A 59 -13.276 25.026 3.771 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.645 23.912 4.196 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.885 25.620 2.855 1.00 0.00 O ATOM 0 H ASP A 59 -11.411 23.311 4.817 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.707 25.112 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.061 25.564 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.030 26.743 4.178 1.00 0.00 H new ATOM 950 N SER A 60 -8.906 25.347 5.467 1.00 0.00 N ATOM 951 CA SER A 60 -7.678 25.906 6.047 1.00 0.00 C ATOM 952 C SER A 60 -6.474 25.664 5.093 1.00 0.00 C ATOM 953 O SER A 60 -5.614 26.535 4.924 1.00 0.00 O ATOM 954 CB SER A 60 -7.433 25.262 7.432 1.00 0.00 C ATOM 955 OG SER A 60 -6.390 25.908 8.141 1.00 0.00 O ATOM 0 H SER A 60 -9.271 24.545 5.981 1.00 0.00 H new ATOM 0 HA SER A 60 -7.787 26.983 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.351 25.304 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.185 24.208 7.303 1.00 0.00 H new ATOM 0 HG SER A 60 -6.267 25.473 9.011 1.00 0.00 H new ATOM 961 N LYS A 61 -6.441 24.469 4.455 1.00 0.00 N ATOM 962 CA LYS A 61 -5.382 24.084 3.490 1.00 0.00 C ATOM 963 C LYS A 61 -5.877 24.211 2.040 1.00 0.00 C ATOM 964 O LYS A 61 -5.290 23.642 1.120 1.00 0.00 O ATOM 965 CB LYS A 61 -4.913 22.631 3.779 1.00 0.00 C ATOM 966 CG LYS A 61 -4.218 22.460 5.145 1.00 0.00 C ATOM 967 CD LYS A 61 -2.871 23.212 5.223 1.00 0.00 C ATOM 968 CE LYS A 61 -2.261 23.198 6.627 1.00 0.00 C ATOM 969 NZ LYS A 61 -0.898 23.796 6.647 1.00 0.00 N ATOM 0 H LYS A 61 -7.147 23.746 4.594 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.539 24.765 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.775 21.966 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.228 22.317 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.879 22.822 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.050 21.400 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.168 22.761 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.018 24.245 4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.909 23.748 7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.212 22.172 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.520 23.767 7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.273 23.256 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.947 24.783 6.324 1.00 0.00 H new ATOM 983 N LEU A 62 -6.951 24.977 1.835 1.00 0.00 N ATOM 984 CA LEU A 62 -7.468 25.274 0.482 1.00 0.00 C ATOM 985 C LEU A 62 -6.744 26.536 -0.012 1.00 0.00 C ATOM 986 O LEU A 62 -7.316 27.626 -0.102 1.00 0.00 O ATOM 987 CB LEU A 62 -9.029 25.435 0.488 1.00 0.00 C ATOM 988 CG LEU A 62 -9.799 24.934 -0.780 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.372 25.662 -2.069 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.668 23.408 -0.924 1.00 0.00 C ATOM 0 H LEU A 62 -7.487 25.408 2.588 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.269 24.448 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.421 24.903 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.260 26.491 0.630 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.851 25.180 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.940 25.271 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.565 26.730 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.308 25.501 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.210 23.078 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.616 23.141 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.086 22.922 -0.042 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.456 26.352 -0.288 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.518 27.426 -0.626 1.00 0.00 C ATOM 1004 C ASP A 63 -3.572 26.927 -1.718 1.00 0.00 C ATOM 1005 O ASP A 63 -3.228 25.742 -1.715 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.722 27.850 0.636 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.540 28.791 0.330 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -2.762 30.001 0.111 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.384 28.309 0.289 1.00 0.00 O ATOM 0 H ASP A 63 -5.021 25.429 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.063 28.296 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.398 28.344 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.346 26.957 1.135 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.127 27.861 -2.594 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.308 27.561 -3.781 1.00 0.00 C ATOM 1016 C GLY A 64 -1.187 26.550 -3.547 1.00 0.00 C ATOM 1017 O GLY A 64 -1.026 25.624 -4.334 1.00 0.00 O ATOM 0 H GLY A 64 -3.333 28.855 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.960 27.184 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.870 28.490 -4.147 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.467 26.704 -2.417 1.00 0.00 N ATOM 1022 CA ALA A 65 0.641 25.805 -2.021 1.00 0.00 C ATOM 1023 C ALA A 65 0.186 24.329 -1.947 1.00 0.00 C ATOM 1024 O ALA A 65 0.796 23.440 -2.558 1.00 0.00 O ATOM 1025 CB ALA A 65 1.220 26.252 -0.664 1.00 0.00 C ATOM 0 H ALA A 65 -0.637 27.457 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 65 1.414 25.872 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.035 25.586 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.597 27.271 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.439 26.215 0.095 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.922 24.109 -1.229 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.474 22.766 -0.947 1.00 0.00 C ATOM 1033 C ASN A 66 -2.151 22.161 -2.192 1.00 0.00 C ATOM 1034 O ASN A 66 -2.085 20.940 -2.422 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.491 22.863 0.210 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.889 23.480 1.470 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.310 22.786 2.302 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -2.019 24.797 1.620 1.00 0.00 N ATOM 0 H ASN A 66 -1.472 24.864 -0.820 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.651 22.110 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.345 23.460 -0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.868 21.867 0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.632 25.257 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.505 25.345 0.911 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.808 23.041 -2.975 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.479 22.673 -4.235 1.00 0.00 C ATOM 1047 C ILE A 67 -2.452 22.084 -5.233 1.00 0.00 C ATOM 1048 O ILE A 67 -2.693 21.041 -5.854 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.192 23.925 -4.890 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.252 24.572 -3.936 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.839 23.550 -6.236 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.451 23.704 -3.623 1.00 0.00 C ATOM 0 H ILE A 67 -2.887 24.032 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.237 21.924 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.417 24.670 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.761 24.837 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.603 25.501 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.322 24.428 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.072 23.188 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.582 22.768 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.125 24.241 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.974 23.459 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.119 22.785 -3.140 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.295 22.762 -5.339 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.181 22.358 -6.223 1.00 0.00 C ATOM 1066 C LYS A 68 0.348 20.958 -5.867 1.00 0.00 C ATOM 1067 O LYS A 68 0.726 20.190 -6.758 1.00 0.00 O ATOM 1068 CB LYS A 68 0.962 23.395 -6.135 1.00 0.00 C ATOM 1069 CG LYS A 68 0.637 24.754 -6.783 1.00 0.00 C ATOM 1070 CD LYS A 68 1.728 25.812 -6.529 1.00 0.00 C ATOM 1071 CE LYS A 68 1.382 27.188 -7.123 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.466 28.178 -6.885 1.00 0.00 N ATOM 0 H LYS A 68 -1.103 23.613 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.561 22.319 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.210 23.556 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.850 22.981 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.512 24.619 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.314 25.119 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.883 25.915 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.669 25.465 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.209 27.089 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.454 27.552 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.197 29.093 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.614 28.291 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.346 27.843 -7.327 1.00 0.00 H new ATOM 1086 N HIS A 69 0.362 20.640 -4.561 1.00 0.00 N ATOM 1087 CA HIS A 69 0.840 19.338 -4.064 1.00 0.00 C ATOM 1088 C HIS A 69 -0.136 18.222 -4.503 1.00 0.00 C ATOM 1089 O HIS A 69 0.291 17.160 -4.947 1.00 0.00 O ATOM 1090 CB HIS A 69 1.009 19.365 -2.519 1.00 0.00 C ATOM 1091 CG HIS A 69 2.025 18.374 -1.995 1.00 0.00 C ATOM 1092 ND1 HIS A 69 1.735 17.387 -1.076 1.00 0.00 N ATOM 1093 CD2 HIS A 69 3.352 18.252 -2.255 1.00 0.00 C ATOM 1094 CE1 HIS A 69 2.834 16.711 -0.795 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.828 17.213 -1.497 1.00 0.00 N ATOM 0 H HIS A 69 0.045 21.272 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 69 1.819 19.131 -4.495 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.304 20.369 -2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.044 19.161 -2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.928 18.862 -2.935 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.905 15.884 -0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.793 16.883 -1.480 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.448 18.514 -4.412 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.521 17.612 -4.901 1.00 0.00 C ATOM 1106 C ARG A 70 -2.345 17.284 -6.398 1.00 0.00 C ATOM 1107 O ARG A 70 -2.405 16.116 -6.792 1.00 0.00 O ATOM 1108 CB ARG A 70 -3.925 18.245 -4.669 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.520 18.047 -3.264 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.706 16.558 -2.905 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.653 16.377 -1.785 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.419 15.683 -0.660 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.213 15.190 -0.389 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.401 15.512 0.210 1.00 0.00 N ATOM 0 H ARG A 70 -1.798 19.379 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.446 16.685 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.859 19.315 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.617 17.827 -5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.868 18.516 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.483 18.554 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.069 16.016 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.742 16.125 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.568 16.820 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.444 15.336 -1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.058 14.666 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.323 15.906 0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.236 14.987 1.069 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.122 18.336 -7.202 1.00 0.00 N ATOM 1129 CA LEU A 71 -1.978 18.221 -8.667 1.00 0.00 C ATOM 1130 C LEU A 71 -0.721 17.414 -9.048 1.00 0.00 C ATOM 1131 O LEU A 71 -0.753 16.578 -9.963 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.898 19.626 -9.318 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.101 20.585 -9.067 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -2.969 21.866 -9.902 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.453 19.898 -9.320 1.00 0.00 C ATOM 0 H LEU A 71 -2.036 19.292 -6.857 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.857 17.695 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.992 20.116 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.786 19.496 -10.394 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.075 20.861 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.822 22.517 -9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.048 22.383 -9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.943 21.609 -10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.261 20.605 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.501 19.559 -10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.557 19.043 -8.653 1.00 0.00 H new ATOM 1147 N ALA A 72 0.373 17.693 -8.323 1.00 0.00 N ATOM 1148 CA ALA A 72 1.687 17.094 -8.573 1.00 0.00 C ATOM 1149 C ALA A 72 1.665 15.577 -8.323 1.00 0.00 C ATOM 1150 O ALA A 72 2.114 14.791 -9.168 1.00 0.00 O ATOM 1151 CB ALA A 72 2.746 17.775 -7.700 1.00 0.00 C ATOM 0 H ALA A 72 0.367 18.347 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 72 1.942 17.249 -9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.720 17.324 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.785 18.838 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.488 17.648 -6.649 1.00 0.00 H new ATOM 1157 N LEU A 73 1.138 15.176 -7.148 1.00 0.00 N ATOM 1158 CA LEU A 73 1.024 13.752 -6.778 1.00 0.00 C ATOM 1159 C LEU A 73 -0.007 13.031 -7.655 1.00 0.00 C ATOM 1160 O LEU A 73 0.174 11.841 -7.970 1.00 0.00 O ATOM 1161 CB LEU A 73 0.708 13.544 -5.270 1.00 0.00 C ATOM 1162 CG LEU A 73 1.937 13.658 -4.304 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.317 15.116 -4.024 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.708 12.860 -3.007 1.00 0.00 C ATOM 0 H LEU A 73 0.785 15.819 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 73 2.003 13.309 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.039 14.278 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.258 12.560 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 73 2.790 13.209 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.173 15.146 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.574 15.611 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.474 15.629 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.579 12.960 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.828 13.246 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.555 11.808 -3.249 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.076 13.755 -8.056 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.083 13.206 -8.972 1.00 0.00 C ATOM 1178 C TRP A 74 -1.407 12.710 -10.249 1.00 0.00 C ATOM 1179 O TRP A 74 -1.472 11.532 -10.554 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.183 14.234 -9.348 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.101 13.720 -10.439 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.968 12.670 -10.349 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.193 14.196 -11.788 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.589 12.472 -11.553 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.138 13.397 -12.448 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.571 15.227 -12.493 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.472 13.588 -13.780 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.905 15.423 -13.816 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.852 14.607 -14.447 1.00 0.00 C ATOM 0 H TRP A 74 -1.257 14.714 -7.758 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.568 12.383 -8.447 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.772 14.472 -8.463 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.714 15.161 -9.678 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.139 12.082 -9.459 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.280 11.747 -11.749 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.841 15.860 -12.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.195 12.955 -14.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.430 16.217 -14.373 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.098 14.787 -15.483 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.735 13.637 -10.952 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.140 13.368 -12.263 1.00 0.00 C ATOM 1202 C ILE A 75 1.059 12.405 -12.145 1.00 0.00 C ATOM 1203 O ILE A 75 1.336 11.647 -13.071 1.00 0.00 O ATOM 1204 CB ILE A 75 0.260 14.701 -13.003 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.597 14.435 -14.505 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.427 15.419 -12.293 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.505 13.747 -15.301 1.00 0.00 C ATOM 0 H ILE A 75 -0.591 14.592 -10.624 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.898 12.876 -12.872 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.604 15.364 -12.965 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.830 15.386 -14.983 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.498 13.823 -14.557 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.674 16.333 -12.833 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.135 15.667 -11.273 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.298 14.764 -12.271 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.176 13.606 -16.331 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.725 12.777 -14.855 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.403 14.365 -15.288 1.00 0.00 H new ATOM 1219 N HIS A 76 1.731 12.398 -10.975 1.00 0.00 N ATOM 1220 CA HIS A 76 2.872 11.485 -10.727 1.00 0.00 C ATOM 1221 C HIS A 76 2.382 10.023 -10.613 1.00 0.00 C ATOM 1222 O HIS A 76 3.128 9.084 -10.917 1.00 0.00 O ATOM 1223 CB HIS A 76 3.668 11.918 -9.455 1.00 0.00 C ATOM 1224 CG HIS A 76 5.143 11.612 -9.516 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.941 11.467 -8.399 1.00 0.00 N ATOM 1226 CD2 HIS A 76 5.979 11.499 -10.583 1.00 0.00 C ATOM 1227 CE1 HIS A 76 7.195 11.285 -8.779 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.242 11.301 -10.094 1.00 0.00 N ATOM 0 H HIS A 76 1.507 13.009 -10.190 1.00 0.00 H new ATOM 0 HA HIS A 76 3.552 11.547 -11.577 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.536 12.990 -9.305 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.240 11.419 -8.585 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.698 11.555 -11.624 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.039 11.146 -8.120 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.084 11.185 -10.658 1.00 0.00 H new ATOM 1237 N ALA A 77 1.129 9.854 -10.149 1.00 0.00 N ATOM 1238 CA ALA A 77 0.433 8.548 -10.140 1.00 0.00 C ATOM 1239 C ALA A 77 -0.371 8.316 -11.448 1.00 0.00 C ATOM 1240 O ALA A 77 -0.578 7.167 -11.859 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.494 8.476 -8.920 1.00 0.00 C ATOM 0 H ALA A 77 0.569 10.617 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 77 1.183 7.759 -10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.008 7.515 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.095 8.582 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.228 9.280 -8.973 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.812 9.419 -12.093 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.670 9.381 -13.308 1.00 0.00 C ATOM 1249 C ALA A 78 -0.845 9.034 -14.556 1.00 0.00 C ATOM 1250 O ALA A 78 -1.399 8.689 -15.605 1.00 0.00 O ATOM 1251 CB ALA A 78 -2.416 10.712 -13.512 1.00 0.00 C ATOM 0 H ALA A 78 -0.585 10.365 -11.788 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.412 8.597 -13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.033 10.649 -14.408 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.050 10.910 -12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.694 11.520 -13.625 1.00 0.00 H new ATOM 1257 N LEU A 79 0.478 9.193 -14.435 1.00 0.00 N ATOM 1258 CA LEU A 79 1.449 8.574 -15.334 1.00 0.00 C ATOM 1259 C LEU A 79 1.758 7.171 -14.751 1.00 0.00 C ATOM 1260 O LEU A 79 2.432 7.081 -13.716 1.00 0.00 O ATOM 1261 CB LEU A 79 2.734 9.457 -15.444 1.00 0.00 C ATOM 1262 CG LEU A 79 2.517 10.936 -15.946 1.00 0.00 C ATOM 1263 CD1 LEU A 79 3.819 11.776 -15.869 1.00 0.00 C ATOM 1264 CD2 LEU A 79 1.921 10.973 -17.375 1.00 0.00 C ATOM 0 H LEU A 79 0.905 9.761 -13.703 1.00 0.00 H new ATOM 0 HA LEU A 79 1.057 8.482 -16.347 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.210 9.493 -14.464 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.433 8.964 -16.120 1.00 0.00 H new ATOM 0 HG LEU A 79 1.794 11.391 -15.269 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.621 12.787 -16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.166 11.816 -14.836 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.586 11.316 -16.492 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.786 12.009 -17.686 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.600 10.472 -18.065 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.957 10.464 -17.381 1.00 0.00 H new ATOM 1276 N PRO A 80 1.195 6.054 -15.348 1.00 0.00 N ATOM 1277 CA PRO A 80 1.414 4.658 -14.850 1.00 0.00 C ATOM 1278 C PRO A 80 2.899 4.235 -14.881 1.00 0.00 C ATOM 1279 O PRO A 80 3.330 3.358 -14.119 1.00 0.00 O ATOM 1280 CB PRO A 80 0.553 3.786 -15.812 1.00 0.00 C ATOM 1281 CG PRO A 80 -0.446 4.742 -16.396 1.00 0.00 C ATOM 1282 CD PRO A 80 0.285 6.058 -16.525 1.00 0.00 C ATOM 0 HA PRO A 80 1.130 4.552 -13.803 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.166 3.329 -16.589 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.060 2.974 -15.277 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.802 4.394 -17.366 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.320 4.839 -15.752 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.838 6.122 -17.462 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.401 6.905 -16.501 1.00 0.00 H new ATOM 1290 N ASP A 81 3.659 4.877 -15.781 1.00 0.00 N ATOM 1291 CA ASP A 81 5.118 4.708 -15.894 1.00 0.00 C ATOM 1292 C ASP A 81 5.850 5.360 -14.692 1.00 0.00 C ATOM 1293 O ASP A 81 6.954 4.936 -14.326 1.00 0.00 O ATOM 1294 CB ASP A 81 5.592 5.329 -17.232 1.00 0.00 C ATOM 1295 CG ASP A 81 7.109 5.211 -17.467 1.00 0.00 C ATOM 1296 OD1 ASP A 81 7.591 4.091 -17.745 1.00 0.00 O ATOM 1297 OD2 ASP A 81 7.827 6.230 -17.371 1.00 0.00 O ATOM 0 H ASP A 81 3.275 5.535 -16.459 1.00 0.00 H new ATOM 0 HA ASP A 81 5.359 3.645 -15.880 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.067 4.842 -18.054 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.311 6.382 -17.253 1.00 0.00 H new ATOM 1302 N ASN A 82 5.187 6.374 -14.093 1.00 0.00 N ATOM 1303 CA ASN A 82 5.721 7.220 -13.003 1.00 0.00 C ATOM 1304 C ASN A 82 6.960 7.967 -13.518 1.00 0.00 C ATOM 1305 O ASN A 82 8.101 7.556 -13.284 1.00 0.00 O ATOM 1306 CB ASN A 82 6.020 6.398 -11.704 1.00 0.00 C ATOM 1307 CG ASN A 82 6.318 7.246 -10.445 1.00 0.00 C ATOM 1308 OD1 ASN A 82 6.807 8.372 -10.513 1.00 0.00 O ATOM 1309 ND2 ASN A 82 6.051 6.686 -9.272 1.00 0.00 N ATOM 0 H ASN A 82 4.238 6.634 -14.363 1.00 0.00 H new ATOM 0 HA ASN A 82 4.962 7.947 -12.714 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.166 5.754 -11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.872 5.745 -11.894 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.251 7.191 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.645 5.751 -9.234 1.00 0.00 H new ATOM 1316 N ASP A 83 6.706 9.024 -14.292 1.00 0.00 N ATOM 1317 CA ASP A 83 7.750 9.808 -14.971 1.00 0.00 C ATOM 1318 C ASP A 83 8.157 11.014 -14.088 1.00 0.00 C ATOM 1319 O ASP A 83 7.289 11.626 -13.471 1.00 0.00 O ATOM 1320 CB ASP A 83 7.196 10.259 -16.349 1.00 0.00 C ATOM 1321 CG ASP A 83 8.196 11.055 -17.207 1.00 0.00 C ATOM 1322 OD1 ASP A 83 9.217 10.475 -17.631 1.00 0.00 O ATOM 1323 OD2 ASP A 83 7.945 12.243 -17.499 1.00 0.00 O ATOM 0 H ASP A 83 5.762 9.366 -14.469 1.00 0.00 H new ATOM 0 HA ASP A 83 8.647 9.210 -15.131 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.880 9.377 -16.906 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.308 10.870 -16.188 1.00 0.00 H new ATOM 1328 N PRO A 84 9.488 11.344 -13.967 1.00 0.00 N ATOM 1329 CA PRO A 84 9.963 12.543 -13.202 1.00 0.00 C ATOM 1330 C PRO A 84 9.708 13.885 -13.938 1.00 0.00 C ATOM 1331 O PRO A 84 9.826 14.956 -13.325 1.00 0.00 O ATOM 1332 CB PRO A 84 11.482 12.271 -13.055 1.00 0.00 C ATOM 1333 CG PRO A 84 11.826 11.475 -14.279 1.00 0.00 C ATOM 1334 CD PRO A 84 10.643 10.561 -14.511 1.00 0.00 C ATOM 0 HA PRO A 84 9.433 12.660 -12.257 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.051 13.199 -13.009 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.702 11.716 -12.143 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.993 12.126 -15.137 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.741 10.902 -14.131 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.512 10.334 -15.569 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.763 9.609 -13.993 1.00 0.00 H new ATOM 1342 N LEU A 85 9.386 13.800 -15.258 1.00 0.00 N ATOM 1343 CA LEU A 85 9.181 14.964 -16.168 1.00 0.00 C ATOM 1344 C LEU A 85 10.465 15.778 -16.393 1.00 0.00 C ATOM 1345 O LEU A 85 10.431 16.825 -17.055 1.00 0.00 O ATOM 1346 CB LEU A 85 8.026 15.900 -15.709 1.00 0.00 C ATOM 1347 CG LEU A 85 6.593 15.292 -15.713 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.291 14.458 -14.453 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.557 16.396 -15.906 1.00 0.00 C ATOM 0 H LEU A 85 9.259 12.904 -15.729 1.00 0.00 H new ATOM 0 HA LEU A 85 8.891 14.523 -17.122 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.247 16.244 -14.699 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.025 16.780 -16.352 1.00 0.00 H new ATOM 0 HG LEU A 85 6.538 14.599 -16.553 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.278 14.061 -14.514 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.001 13.634 -14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.381 15.089 -13.569 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.558 15.961 -15.907 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.638 17.117 -15.092 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.735 16.900 -16.856 1.00 0.00 H new ATOM 1361 N LYS A 86 11.586 15.257 -15.881 1.00 0.00 N ATOM 1362 CA LYS A 86 12.853 15.983 -15.783 1.00 0.00 C ATOM 1363 C LYS A 86 13.399 16.324 -17.192 1.00 0.00 C ATOM 1364 O LYS A 86 13.463 17.524 -17.536 1.00 0.00 O ATOM 1365 CB LYS A 86 13.871 15.156 -14.950 1.00 0.00 C ATOM 1366 CG LYS A 86 15.148 15.928 -14.536 1.00 0.00 C ATOM 1367 CD LYS A 86 14.845 17.124 -13.596 1.00 0.00 C ATOM 1368 CE LYS A 86 16.105 17.913 -13.207 1.00 0.00 C ATOM 1369 NZ LYS A 86 15.780 19.088 -12.361 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.707 15.388 -17.961 1.00 0.00 O ATOM 0 H LYS A 86 11.637 14.305 -15.518 1.00 0.00 H new ATOM 0 HA LYS A 86 12.687 16.929 -15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.374 14.794 -14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.164 14.279 -15.527 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.836 15.244 -14.038 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.653 16.293 -15.430 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.139 17.795 -14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.360 16.755 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.793 17.259 -12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.619 18.245 -14.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.905 19.960 -12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.793 19.021 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.413 19.108 -11.536 1.00 0.00 H new