USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 510 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 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 THR OG1 : rot -134:sc= 0.0752! USER MOD Set 2.2: A 29 THR OG1 : rot 152:sc= 0.698 USER MOD Single : A 8 GLN : amide:sc= -0.695 K(o=-0.7,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 91:sc= 0.00765 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.026) USER MOD Single : A 42 ASN : amide:sc=-0.00724 X(o=-0.0072,f=-0.32) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 49 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.27) USER MOD Single : A 53 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.5!) USER MOD Single : A 60 ASN : amide:sc= -7.74! C(o=-7.7!,f=-12!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.167 -14.305 3.832 1.00 0.00 N ATOM 106 CA GLU A 7 -13.419 -15.411 3.260 1.00 0.00 C ATOM 107 C GLU A 7 -12.593 -14.931 2.064 1.00 0.00 C ATOM 108 O GLU A 7 -11.437 -15.321 1.908 1.00 0.00 O ATOM 109 CB GLU A 7 -14.352 -16.554 2.858 1.00 0.00 C ATOM 110 CG GLU A 7 -14.709 -17.422 4.066 1.00 0.00 C ATOM 111 CD GLU A 7 -14.368 -18.891 3.806 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.170 -19.543 3.103 1.00 0.00 O ATOM 113 OE2 GLU A 7 -13.315 -19.328 4.317 1.00 0.00 O ATOM 0 HA GLU A 7 -12.736 -15.793 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.262 -16.147 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.874 -17.167 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.168 -17.069 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.772 -17.325 4.286 1.00 0.00 H new ATOM 120 N GLN A 8 -13.219 -14.092 1.252 1.00 0.00 N ATOM 121 CA GLN A 8 -12.557 -13.555 0.076 1.00 0.00 C ATOM 122 C GLN A 8 -11.466 -12.564 0.487 1.00 0.00 C ATOM 123 O GLN A 8 -10.336 -12.645 0.007 1.00 0.00 O ATOM 124 CB GLN A 8 -13.565 -12.899 -0.870 1.00 0.00 C ATOM 125 CG GLN A 8 -13.727 -13.718 -2.152 1.00 0.00 C ATOM 126 CD GLN A 8 -14.974 -14.602 -2.084 1.00 0.00 C ATOM 127 OE1 GLN A 8 -15.848 -14.554 -2.934 1.00 0.00 O ATOM 128 NE2 GLN A 8 -15.007 -15.411 -1.029 1.00 0.00 N ATOM 0 H GLN A 8 -14.178 -13.771 1.386 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.088 -14.380 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.529 -12.804 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.234 -11.891 -1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.798 -13.048 -3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.844 -14.339 -2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.242 -15.401 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.797 -16.041 -0.894 1.00 0.00 H new ATOM 137 N ILE A 9 -11.842 -11.652 1.371 1.00 0.00 N ATOM 138 CA ILE A 9 -10.910 -10.646 1.852 1.00 0.00 C ATOM 139 C ILE A 9 -9.663 -11.338 2.408 1.00 0.00 C ATOM 140 O ILE A 9 -8.540 -10.944 2.096 1.00 0.00 O ATOM 141 CB ILE A 9 -11.596 -9.716 2.854 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.296 -8.250 2.535 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.214 -10.080 4.290 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.345 -7.670 1.584 1.00 0.00 C ATOM 0 H ILE A 9 -12.780 -11.588 1.767 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.582 -10.007 1.032 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.674 -9.851 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.276 -7.670 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.307 -8.167 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.715 -9.404 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.520 -11.105 4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.135 -9.991 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.108 -6.627 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.345 -8.237 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.330 -7.732 2.047 1.00 0.00 H new ATOM 156 N ALA A 10 -9.903 -12.355 3.221 1.00 0.00 N ATOM 157 CA ALA A 10 -8.814 -13.105 3.823 1.00 0.00 C ATOM 158 C ALA A 10 -7.692 -13.279 2.798 1.00 0.00 C ATOM 159 O ALA A 10 -6.514 -13.215 3.144 1.00 0.00 O ATOM 160 CB ALA A 10 -9.341 -14.444 4.344 1.00 0.00 C ATOM 0 H ALA A 10 -10.836 -12.678 3.477 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.401 -12.564 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.523 -15.006 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.114 -14.265 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.761 -15.016 3.517 1.00 0.00 H new ATOM 166 N GLU A 11 -8.098 -13.495 1.555 1.00 0.00 N ATOM 167 CA GLU A 11 -7.142 -13.678 0.476 1.00 0.00 C ATOM 168 C GLU A 11 -6.389 -12.374 0.206 1.00 0.00 C ATOM 169 O GLU A 11 -5.164 -12.371 0.096 1.00 0.00 O ATOM 170 CB GLU A 11 -7.835 -14.184 -0.790 1.00 0.00 C ATOM 171 CG GLU A 11 -8.590 -15.487 -0.520 1.00 0.00 C ATOM 172 CD GLU A 11 -9.408 -15.910 -1.741 1.00 0.00 C ATOM 173 OE1 GLU A 11 -10.509 -15.343 -1.911 1.00 0.00 O ATOM 174 OE2 GLU A 11 -8.914 -16.792 -2.477 1.00 0.00 O ATOM 0 H GLU A 11 -9.076 -13.547 1.271 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.419 -14.434 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.529 -13.427 -1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.095 -14.344 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.882 -16.275 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.250 -15.358 0.338 1.00 0.00 H new ATOM 181 N PHE A 12 -7.154 -11.296 0.108 1.00 0.00 N ATOM 182 CA PHE A 12 -6.575 -9.989 -0.147 1.00 0.00 C ATOM 183 C PHE A 12 -5.528 -9.637 0.911 1.00 0.00 C ATOM 184 O PHE A 12 -4.555 -8.941 0.621 1.00 0.00 O ATOM 185 CB PHE A 12 -7.716 -8.972 -0.076 1.00 0.00 C ATOM 186 CG PHE A 12 -8.593 -8.932 -1.329 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.558 -9.872 -1.514 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.407 -7.956 -2.258 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.372 -9.834 -2.677 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.220 -7.918 -3.421 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.186 -8.858 -3.606 1.00 0.00 C ATOM 0 H PHE A 12 -8.170 -11.302 0.201 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.085 -9.983 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.342 -9.203 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.295 -7.981 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.705 -10.647 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.640 -7.210 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.139 -10.580 -2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.072 -7.143 -4.159 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.805 -8.829 -4.490 1.00 0.00 H new ATOM 201 N LYS A 13 -5.762 -10.133 2.117 1.00 0.00 N ATOM 202 CA LYS A 13 -4.851 -9.880 3.220 1.00 0.00 C ATOM 203 C LYS A 13 -3.410 -9.938 2.710 1.00 0.00 C ATOM 204 O LYS A 13 -2.703 -8.931 2.718 1.00 0.00 O ATOM 205 CB LYS A 13 -5.132 -10.840 4.378 1.00 0.00 C ATOM 206 CG LYS A 13 -6.509 -10.574 4.989 1.00 0.00 C ATOM 207 CD LYS A 13 -6.647 -11.259 6.350 1.00 0.00 C ATOM 208 CE LYS A 13 -7.643 -10.514 7.240 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.312 -11.452 8.169 1.00 0.00 N ATOM 0 H LYS A 13 -6.570 -10.709 2.354 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.008 -8.879 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.081 -11.869 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.363 -10.728 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.660 -9.500 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.286 -10.936 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.977 -12.288 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.675 -11.300 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.125 -9.740 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.388 -10.013 6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.985 -10.929 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.823 -12.176 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.599 -11.911 8.771 1.00 0.00 H new ATOM 223 N GLU A 14 -3.016 -11.127 2.278 1.00 0.00 N ATOM 224 CA GLU A 14 -1.672 -11.330 1.764 1.00 0.00 C ATOM 225 C GLU A 14 -1.293 -10.198 0.807 1.00 0.00 C ATOM 226 O GLU A 14 -0.152 -9.738 0.804 1.00 0.00 O ATOM 227 CB GLU A 14 -1.546 -12.692 1.079 1.00 0.00 C ATOM 228 CG GLU A 14 -1.710 -13.830 2.089 1.00 0.00 C ATOM 229 CD GLU A 14 -0.862 -15.041 1.693 1.00 0.00 C ATOM 230 OE1 GLU A 14 0.319 -14.818 1.350 1.00 0.00 O ATOM 231 OE2 GLU A 14 -1.414 -16.161 1.742 1.00 0.00 O ATOM 0 H GLU A 14 -3.604 -11.960 2.273 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.978 -11.317 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.301 -12.782 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.574 -12.770 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.418 -13.486 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.759 -14.120 2.149 1.00 0.00 H new ATOM 238 N ALA A 15 -2.272 -9.781 0.018 1.00 0.00 N ATOM 239 CA ALA A 15 -2.056 -8.711 -0.942 1.00 0.00 C ATOM 240 C ALA A 15 -1.549 -7.468 -0.208 1.00 0.00 C ATOM 241 O ALA A 15 -0.492 -6.935 -0.540 1.00 0.00 O ATOM 242 CB ALA A 15 -3.351 -8.446 -1.711 1.00 0.00 C ATOM 0 H ALA A 15 -3.217 -10.165 0.024 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.297 -8.996 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.189 -7.644 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.653 -9.351 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.136 -8.154 -1.013 1.00 0.00 H new ATOM 248 N PHE A 16 -2.327 -7.043 0.777 1.00 0.00 N ATOM 249 CA PHE A 16 -1.971 -5.872 1.560 1.00 0.00 C ATOM 250 C PHE A 16 -0.602 -6.051 2.221 1.00 0.00 C ATOM 251 O PHE A 16 0.168 -5.098 2.330 1.00 0.00 O ATOM 252 CB PHE A 16 -3.034 -5.723 2.650 1.00 0.00 C ATOM 253 CG PHE A 16 -2.873 -4.466 3.508 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.266 -3.258 3.024 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.337 -4.557 4.755 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.117 -2.091 3.820 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.188 -3.391 5.551 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.581 -2.182 5.066 1.00 0.00 C ATOM 0 H PHE A 16 -3.203 -7.489 1.051 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.923 -4.994 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.019 -5.708 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.001 -6.599 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.692 -3.186 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.025 -5.517 5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.430 -1.131 3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.763 -3.464 6.541 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.467 -1.295 5.671 1.00 0.00 H new ATOM 268 N SER A 17 -0.340 -7.279 2.643 1.00 0.00 N ATOM 269 CA SER A 17 0.922 -7.595 3.290 1.00 0.00 C ATOM 270 C SER A 17 2.088 -7.215 2.375 1.00 0.00 C ATOM 271 O SER A 17 3.002 -6.504 2.791 1.00 0.00 O ATOM 272 CB SER A 17 0.997 -9.078 3.656 1.00 0.00 C ATOM 273 OG SER A 17 2.061 -9.351 4.565 1.00 0.00 O ATOM 0 H SER A 17 -0.980 -8.067 2.549 1.00 0.00 H new ATOM 0 HA SER A 17 0.988 -7.017 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.052 -9.390 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.134 -9.668 2.750 1.00 0.00 H new ATOM 0 HG SER A 17 2.074 -10.308 4.775 1.00 0.00 H new ATOM 279 N LEU A 18 2.018 -7.705 1.146 1.00 0.00 N ATOM 280 CA LEU A 18 3.057 -7.425 0.169 1.00 0.00 C ATOM 281 C LEU A 18 3.544 -5.986 0.346 1.00 0.00 C ATOM 282 O LEU A 18 4.742 -5.745 0.490 1.00 0.00 O ATOM 283 CB LEU A 18 2.560 -7.737 -1.245 1.00 0.00 C ATOM 284 CG LEU A 18 3.155 -8.982 -1.905 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.245 -10.196 -1.705 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.456 -8.728 -3.384 1.00 0.00 C ATOM 0 H LEU A 18 1.258 -8.294 0.804 1.00 0.00 H new ATOM 0 HA LEU A 18 3.917 -8.074 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.476 -7.851 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.771 -6.877 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 18 4.104 -9.207 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.691 -11.068 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.125 -10.389 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.270 -9.997 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.878 -9.629 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.534 -8.464 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.170 -7.910 -3.475 1.00 0.00 H new ATOM 298 N PHE A 19 2.590 -5.066 0.331 1.00 0.00 N ATOM 299 CA PHE A 19 2.907 -3.657 0.488 1.00 0.00 C ATOM 300 C PHE A 19 3.304 -3.342 1.932 1.00 0.00 C ATOM 301 O PHE A 19 4.303 -2.666 2.172 1.00 0.00 O ATOM 302 CB PHE A 19 1.642 -2.872 0.137 1.00 0.00 C ATOM 303 CG PHE A 19 1.375 -2.762 -1.365 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.031 -1.829 -2.106 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.482 -3.597 -1.960 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.784 -1.727 -3.501 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.234 -3.495 -3.355 1.00 0.00 C ATOM 308 CZ PHE A 19 0.890 -2.563 -4.096 1.00 0.00 C ATOM 0 H PHE A 19 1.598 -5.269 0.213 1.00 0.00 H new ATOM 0 HA PHE A 19 3.744 -3.390 -0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.786 -3.350 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.721 -1.869 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.740 -1.165 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.039 -4.338 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.305 -0.986 -4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.476 -4.158 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.702 -2.486 -5.157 1.00 0.00 H new ATOM 318 N ASP A 20 2.501 -3.848 2.857 1.00 0.00 N ATOM 319 CA ASP A 20 2.755 -3.629 4.270 1.00 0.00 C ATOM 320 C ASP A 20 3.824 -4.613 4.750 1.00 0.00 C ATOM 321 O ASP A 20 3.507 -5.733 5.149 1.00 0.00 O ATOM 322 CB ASP A 20 1.491 -3.862 5.100 1.00 0.00 C ATOM 323 CG ASP A 20 1.711 -3.910 6.613 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.779 -3.429 7.047 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.805 -4.428 7.302 1.00 0.00 O ATOM 0 H ASP A 20 1.674 -4.409 2.655 1.00 0.00 H new ATOM 0 HA ASP A 20 3.085 -2.598 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.777 -3.070 4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.035 -4.800 4.784 1.00 0.00 H new ATOM 330 N LYS A 21 5.068 -4.161 4.695 1.00 0.00 N ATOM 331 CA LYS A 21 6.185 -4.987 5.119 1.00 0.00 C ATOM 332 C LYS A 21 6.103 -5.212 6.630 1.00 0.00 C ATOM 333 O LYS A 21 6.042 -6.351 7.089 1.00 0.00 O ATOM 334 CB LYS A 21 7.509 -4.375 4.659 1.00 0.00 C ATOM 335 CG LYS A 21 8.465 -5.456 4.149 1.00 0.00 C ATOM 336 CD LYS A 21 8.975 -6.324 5.301 1.00 0.00 C ATOM 337 CE LYS A 21 10.416 -5.962 5.664 1.00 0.00 C ATOM 338 NZ LYS A 21 10.574 -5.872 7.133 1.00 0.00 N ATOM 0 H LYS A 21 5.327 -3.232 4.363 1.00 0.00 H new ATOM 0 HA LYS A 21 6.134 -5.968 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.322 -3.647 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.971 -3.836 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.955 -6.081 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.308 -4.990 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.333 -6.193 6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.920 -7.376 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.097 -6.713 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.685 -5.011 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.558 -5.625 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.938 -5.139 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.337 -6.788 7.564 1.00 0.00 H new ATOM 352 N ASP A 22 6.104 -4.107 7.361 1.00 0.00 N ATOM 353 CA ASP A 22 6.031 -4.169 8.811 1.00 0.00 C ATOM 354 C ASP A 22 4.885 -5.097 9.220 1.00 0.00 C ATOM 355 O ASP A 22 4.888 -5.643 10.322 1.00 0.00 O ATOM 356 CB ASP A 22 5.756 -2.787 9.408 1.00 0.00 C ATOM 357 CG ASP A 22 6.635 -1.661 8.862 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.757 -1.982 8.416 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.165 -0.503 8.904 1.00 0.00 O ATOM 0 H ASP A 22 6.154 -3.164 6.976 1.00 0.00 H new ATOM 0 HA ASP A 22 6.987 -4.538 9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.712 -2.532 9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.890 -2.841 10.488 1.00 0.00 H new ATOM 364 N GLY A 23 3.934 -5.248 8.310 1.00 0.00 N ATOM 365 CA GLY A 23 2.785 -6.100 8.563 1.00 0.00 C ATOM 366 C GLY A 23 2.006 -5.622 9.790 1.00 0.00 C ATOM 367 O GLY A 23 1.183 -6.357 10.332 1.00 0.00 O ATOM 0 H GLY A 23 3.936 -4.795 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.131 -6.102 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.116 -7.127 8.716 1.00 0.00 H new ATOM 371 N ASP A 24 2.294 -4.392 10.191 1.00 0.00 N ATOM 372 CA ASP A 24 1.631 -3.807 11.344 1.00 0.00 C ATOM 373 C ASP A 24 0.126 -3.728 11.076 1.00 0.00 C ATOM 374 O ASP A 24 -0.679 -3.841 11.999 1.00 0.00 O ATOM 375 CB ASP A 24 2.138 -2.389 11.610 1.00 0.00 C ATOM 376 CG ASP A 24 2.037 -1.432 10.421 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.693 -1.923 9.324 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.305 -0.230 10.634 1.00 0.00 O ATOM 0 H ASP A 24 2.977 -3.785 9.738 1.00 0.00 H new ATOM 0 HA ASP A 24 1.844 -4.435 12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.576 -1.969 12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.180 -2.445 11.924 1.00 0.00 H new ATOM 383 N GLY A 25 -0.207 -3.535 9.808 1.00 0.00 N ATOM 384 CA GLY A 25 -1.601 -3.440 9.407 1.00 0.00 C ATOM 385 C GLY A 25 -1.852 -2.167 8.597 1.00 0.00 C ATOM 386 O GLY A 25 -2.977 -1.912 8.168 1.00 0.00 O ATOM 0 H GLY A 25 0.464 -3.442 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.873 -4.313 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.239 -3.445 10.291 1.00 0.00 H new ATOM 390 N THR A 26 -0.787 -1.401 8.413 1.00 0.00 N ATOM 391 CA THR A 26 -0.878 -0.160 7.662 1.00 0.00 C ATOM 392 C THR A 26 0.219 -0.099 6.597 1.00 0.00 C ATOM 393 O THR A 26 1.282 -0.695 6.761 1.00 0.00 O ATOM 394 CB THR A 26 -0.824 1.000 8.657 1.00 0.00 C ATOM 395 OG1 THR A 26 0.444 0.854 9.292 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.832 0.841 9.797 1.00 0.00 C ATOM 0 H THR A 26 0.144 -1.616 8.771 1.00 0.00 H new ATOM 0 HA THR A 26 -1.820 -0.096 7.117 1.00 0.00 H new ATOM 0 HB THR A 26 -1.014 1.937 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.563 1.567 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.752 1.691 10.475 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.841 0.797 9.387 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.622 -0.079 10.343 1.00 0.00 H new ATOM 404 N ILE A 27 -0.078 0.626 5.528 1.00 0.00 N ATOM 405 CA ILE A 27 0.870 0.772 4.437 1.00 0.00 C ATOM 406 C ILE A 27 1.220 2.252 4.266 1.00 0.00 C ATOM 407 O ILE A 27 0.436 3.019 3.709 1.00 0.00 O ATOM 408 CB ILE A 27 0.327 0.118 3.164 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.116 -1.384 3.367 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.233 0.413 1.967 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.641 -1.996 2.186 1.00 0.00 C ATOM 0 H ILE A 27 -0.961 1.118 5.395 1.00 0.00 H new ATOM 0 HA ILE A 27 1.798 0.248 4.666 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.648 0.554 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.081 -1.878 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.440 -1.555 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.825 -0.063 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.289 1.490 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.232 0.022 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.778 -3.064 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.615 -1.516 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.070 -1.844 1.270 1.00 0.00 H new ATOM 423 N THR A 28 2.398 2.608 4.755 1.00 0.00 N ATOM 424 CA THR A 28 2.862 3.982 4.664 1.00 0.00 C ATOM 425 C THR A 28 3.347 4.288 3.246 1.00 0.00 C ATOM 426 O THR A 28 2.886 3.677 2.283 1.00 0.00 O ATOM 427 CB THR A 28 3.938 4.190 5.732 1.00 0.00 C ATOM 428 OG1 THR A 28 4.350 5.542 5.551 1.00 0.00 O ATOM 429 CG2 THR A 28 5.203 3.375 5.455 1.00 0.00 C ATOM 0 H THR A 28 3.046 1.969 5.216 1.00 0.00 H new ATOM 0 HA THR A 28 2.052 4.686 4.856 1.00 0.00 H new ATOM 0 HB THR A 28 3.537 3.918 6.709 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.329 5.590 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.934 3.559 6.242 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.954 2.314 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.623 3.671 4.494 1.00 0.00 H new ATOM 437 N THR A 29 4.271 5.234 3.162 1.00 0.00 N ATOM 438 CA THR A 29 4.823 5.629 1.877 1.00 0.00 C ATOM 439 C THR A 29 6.025 4.752 1.521 1.00 0.00 C ATOM 440 O THR A 29 6.142 4.280 0.391 1.00 0.00 O ATOM 441 CB THR A 29 5.158 7.120 1.944 1.00 0.00 C ATOM 442 OG1 THR A 29 5.667 7.302 3.262 1.00 0.00 O ATOM 443 CG2 THR A 29 3.909 8.003 1.901 1.00 0.00 C ATOM 0 H THR A 29 4.651 5.738 3.963 1.00 0.00 H new ATOM 0 HA THR A 29 4.101 5.479 1.074 1.00 0.00 H new ATOM 0 HB THR A 29 5.816 7.382 1.116 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.296 8.053 3.269 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.203 9.051 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.367 7.822 0.973 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.266 7.765 2.748 1.00 0.00 H new ATOM 451 N LYS A 30 6.889 4.559 2.507 1.00 0.00 N ATOM 452 CA LYS A 30 8.078 3.747 2.312 1.00 0.00 C ATOM 453 C LYS A 30 7.662 2.316 1.964 1.00 0.00 C ATOM 454 O LYS A 30 8.265 1.684 1.098 1.00 0.00 O ATOM 455 CB LYS A 30 8.997 3.840 3.532 1.00 0.00 C ATOM 456 CG LYS A 30 10.320 4.518 3.172 1.00 0.00 C ATOM 457 CD LYS A 30 10.919 5.232 4.385 1.00 0.00 C ATOM 458 CE LYS A 30 12.334 4.728 4.675 1.00 0.00 C ATOM 459 NZ LYS A 30 12.745 5.099 6.048 1.00 0.00 N ATOM 0 H LYS A 30 6.789 4.951 3.443 1.00 0.00 H new ATOM 0 HA LYS A 30 8.662 4.123 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.500 4.401 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.191 2.841 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.024 3.774 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.158 5.235 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.942 6.307 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.285 5.069 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.372 3.645 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.032 5.151 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.708 4.749 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.728 6.134 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.088 4.674 6.734 1.00 0.00 H new ATOM 473 N GLU A 31 6.635 1.847 2.657 1.00 0.00 N ATOM 474 CA GLU A 31 6.131 0.503 2.432 1.00 0.00 C ATOM 475 C GLU A 31 5.403 0.427 1.089 1.00 0.00 C ATOM 476 O GLU A 31 5.191 -0.660 0.554 1.00 0.00 O ATOM 477 CB GLU A 31 5.217 0.061 3.577 1.00 0.00 C ATOM 478 CG GLU A 31 5.984 0.002 4.899 1.00 0.00 C ATOM 479 CD GLU A 31 5.052 -0.356 6.058 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.746 -1.562 6.189 1.00 0.00 O ATOM 481 OE2 GLU A 31 4.665 0.583 6.788 1.00 0.00 O ATOM 0 H GLU A 31 6.138 2.374 3.375 1.00 0.00 H new ATOM 0 HA GLU A 31 6.979 -0.182 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.381 0.754 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.795 -0.919 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.782 -0.737 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.457 0.965 5.092 1.00 0.00 H new ATOM 488 N LEU A 32 5.040 1.596 0.582 1.00 0.00 N ATOM 489 CA LEU A 32 4.340 1.676 -0.689 1.00 0.00 C ATOM 490 C LEU A 32 5.360 1.832 -1.819 1.00 0.00 C ATOM 491 O LEU A 32 5.120 1.390 -2.942 1.00 0.00 O ATOM 492 CB LEU A 32 3.288 2.786 -0.653 1.00 0.00 C ATOM 493 CG LEU A 32 2.196 2.710 -1.722 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.896 2.151 -1.138 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.986 4.071 -2.389 1.00 0.00 C ATOM 0 H LEU A 32 5.218 2.496 1.028 1.00 0.00 H new ATOM 0 HA LEU A 32 3.790 0.754 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.811 2.775 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.797 3.745 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 32 2.525 2.019 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.136 2.107 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.074 1.149 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.551 2.798 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.205 3.989 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.689 4.802 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.915 4.392 -2.861 1.00 0.00 H new ATOM 507 N GLY A 33 6.477 2.461 -1.483 1.00 0.00 N ATOM 508 CA GLY A 33 7.534 2.680 -2.455 1.00 0.00 C ATOM 509 C GLY A 33 8.541 1.528 -2.440 1.00 0.00 C ATOM 510 O GLY A 33 9.575 1.594 -3.102 1.00 0.00 O ATOM 0 H GLY A 33 6.673 2.826 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.102 2.777 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.045 3.617 -2.236 1.00 0.00 H new ATOM 514 N THR A 34 8.203 0.500 -1.676 1.00 0.00 N ATOM 515 CA THR A 34 9.065 -0.665 -1.566 1.00 0.00 C ATOM 516 C THR A 34 8.644 -1.737 -2.573 1.00 0.00 C ATOM 517 O THR A 34 9.403 -2.072 -3.482 1.00 0.00 O ATOM 518 CB THR A 34 9.025 -1.147 -0.114 1.00 0.00 C ATOM 519 OG1 THR A 34 10.242 -0.661 0.446 1.00 0.00 O ATOM 520 CG2 THR A 34 9.143 -2.668 0.002 1.00 0.00 C ATOM 0 H THR A 34 7.345 0.449 -1.127 1.00 0.00 H new ATOM 0 HA THR A 34 10.097 -0.418 -1.814 1.00 0.00 H new ATOM 0 HB THR A 34 8.096 -0.819 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.093 0.228 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.109 -2.956 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.316 -3.139 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.088 -2.994 -0.433 1.00 0.00 H new ATOM 528 N VAL A 35 7.436 -2.245 -2.379 1.00 0.00 N ATOM 529 CA VAL A 35 6.906 -3.272 -3.259 1.00 0.00 C ATOM 530 C VAL A 35 7.155 -2.869 -4.714 1.00 0.00 C ATOM 531 O VAL A 35 7.239 -3.725 -5.593 1.00 0.00 O ATOM 532 CB VAL A 35 5.427 -3.514 -2.950 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.667 -3.942 -4.207 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.262 -4.545 -1.832 1.00 0.00 C ATOM 0 H VAL A 35 6.809 -1.964 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 35 7.418 -4.220 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 35 4.999 -2.573 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.618 -4.108 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.743 -3.159 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.098 -4.864 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.202 -4.698 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.714 -5.489 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.753 -4.184 -0.928 1.00 0.00 H new ATOM 544 N MET A 36 7.264 -1.566 -4.923 1.00 0.00 N ATOM 545 CA MET A 36 7.502 -1.039 -6.256 1.00 0.00 C ATOM 546 C MET A 36 8.914 -1.378 -6.736 1.00 0.00 C ATOM 547 O MET A 36 9.108 -1.750 -7.892 1.00 0.00 O ATOM 548 CB MET A 36 7.316 0.480 -6.245 1.00 0.00 C ATOM 549 CG MET A 36 5.862 0.853 -5.950 1.00 0.00 C ATOM 550 SD MET A 36 5.191 1.810 -7.299 1.00 0.00 S ATOM 551 CE MET A 36 3.471 1.350 -7.179 1.00 0.00 C ATOM 0 H MET A 36 7.192 -0.859 -4.191 1.00 0.00 H new ATOM 0 HA MET A 36 6.787 -1.496 -6.940 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.969 0.924 -5.493 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.613 0.893 -7.209 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.269 -0.050 -5.804 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.805 1.425 -5.024 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.902 1.862 -7.955 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.373 0.272 -7.309 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.086 1.634 -6.200 1.00 0.00 H new ATOM 561 N ARG A 37 9.865 -1.237 -5.824 1.00 0.00 N ATOM 562 CA ARG A 37 11.254 -1.523 -6.139 1.00 0.00 C ATOM 563 C ARG A 37 11.385 -2.930 -6.726 1.00 0.00 C ATOM 564 O ARG A 37 12.360 -3.231 -7.414 1.00 0.00 O ATOM 565 CB ARG A 37 12.136 -1.413 -4.894 1.00 0.00 C ATOM 566 CG ARG A 37 11.989 -0.039 -4.238 1.00 0.00 C ATOM 567 CD ARG A 37 12.992 0.133 -3.095 1.00 0.00 C ATOM 568 NE ARG A 37 12.751 -0.891 -2.053 1.00 0.00 N ATOM 569 CZ ARG A 37 13.644 -1.230 -1.114 1.00 0.00 C ATOM 570 NH1 ARG A 37 14.842 -0.631 -1.079 1.00 0.00 N ATOM 571 NH2 ARG A 37 13.339 -2.170 -0.208 1.00 0.00 N ATOM 0 H ARG A 37 9.700 -0.928 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 37 11.587 -0.787 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.864 -2.191 -4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.178 -1.580 -5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.143 0.742 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.975 0.080 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.009 0.044 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.899 1.130 -2.665 1.00 0.00 H new ATOM 0 HE ARG A 37 11.849 -1.368 -2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.075 0.084 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.521 -0.890 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.427 -2.627 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.019 -2.429 0.507 1.00 0.00 H new ATOM 585 N SER A 38 10.390 -3.754 -6.434 1.00 0.00 N ATOM 586 CA SER A 38 10.382 -5.122 -6.924 1.00 0.00 C ATOM 587 C SER A 38 9.295 -5.291 -7.988 1.00 0.00 C ATOM 588 O SER A 38 8.733 -6.374 -8.139 1.00 0.00 O ATOM 589 CB SER A 38 10.165 -6.116 -5.781 1.00 0.00 C ATOM 590 OG SER A 38 11.395 -6.523 -5.187 1.00 0.00 O ATOM 0 H SER A 38 9.583 -3.501 -5.864 1.00 0.00 H new ATOM 0 HA SER A 38 11.354 -5.330 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.528 -5.662 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.637 -6.992 -6.158 1.00 0.00 H new ATOM 0 HG SER A 38 11.214 -7.156 -4.461 1.00 0.00 H new ATOM 596 N LEU A 39 9.031 -4.203 -8.696 1.00 0.00 N ATOM 597 CA LEU A 39 8.022 -4.217 -9.741 1.00 0.00 C ATOM 598 C LEU A 39 8.457 -3.290 -10.878 1.00 0.00 C ATOM 599 O LEU A 39 7.632 -2.856 -11.680 1.00 0.00 O ATOM 600 CB LEU A 39 6.647 -3.875 -9.162 1.00 0.00 C ATOM 601 CG LEU A 39 5.463 -4.649 -9.745 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.572 -5.208 -8.634 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.674 -3.784 -10.730 1.00 0.00 C ATOM 0 H LEU A 39 9.498 -3.306 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 39 7.926 -5.217 -10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.674 -4.048 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.467 -2.810 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 39 5.854 -5.500 -10.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.738 -5.753 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.154 -5.882 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.188 -4.387 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.838 -4.358 -11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.295 -2.901 -10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.326 -3.476 -11.547 1.00 0.00 H new ATOM 615 N GLY A 40 9.753 -3.015 -10.910 1.00 0.00 N ATOM 616 CA GLY A 40 10.308 -2.148 -11.936 1.00 0.00 C ATOM 617 C GLY A 40 9.847 -0.702 -11.740 1.00 0.00 C ATOM 618 O GLY A 40 9.879 0.096 -12.675 1.00 0.00 O ATOM 0 H GLY A 40 10.434 -3.377 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.397 -2.194 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.001 -2.501 -12.921 1.00 0.00 H new ATOM 622 N GLN A 41 9.428 -0.408 -10.517 1.00 0.00 N ATOM 623 CA GLN A 41 8.961 0.927 -10.187 1.00 0.00 C ATOM 624 C GLN A 41 9.810 1.523 -9.062 1.00 0.00 C ATOM 625 O GLN A 41 10.659 0.840 -8.492 1.00 0.00 O ATOM 626 CB GLN A 41 7.479 0.911 -9.807 1.00 0.00 C ATOM 627 CG GLN A 41 6.595 0.799 -11.050 1.00 0.00 C ATOM 628 CD GLN A 41 5.114 0.905 -10.681 1.00 0.00 C ATOM 629 OE1 GLN A 41 4.560 1.982 -10.533 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.506 -0.269 -10.542 1.00 0.00 N ATOM 0 H GLN A 41 9.403 -1.072 -9.743 1.00 0.00 H new ATOM 0 HA GLN A 41 9.069 1.557 -11.070 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.280 0.073 -9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.230 1.821 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.854 1.587 -11.757 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.782 -0.152 -11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.029 -1.134 -10.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.516 -0.305 -10.297 1.00 0.00 H new ATOM 639 N ASN A 42 9.550 2.790 -8.776 1.00 0.00 N ATOM 640 CA ASN A 42 10.279 3.486 -7.729 1.00 0.00 C ATOM 641 C ASN A 42 9.846 4.953 -7.700 1.00 0.00 C ATOM 642 O ASN A 42 10.637 5.844 -8.005 1.00 0.00 O ATOM 643 CB ASN A 42 11.787 3.443 -7.987 1.00 0.00 C ATOM 644 CG ASN A 42 12.568 3.440 -6.671 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.339 4.244 -5.782 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.499 2.494 -6.597 1.00 0.00 N ATOM 0 H ASN A 42 8.845 3.353 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 42 10.060 2.994 -6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.036 2.552 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.082 4.304 -8.587 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.074 2.409 -5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.638 1.853 -7.378 1.00 0.00 H new ATOM 653 N PRO A 43 8.557 5.164 -7.322 1.00 0.00 N ATOM 654 CA PRO A 43 8.009 6.508 -7.249 1.00 0.00 C ATOM 655 C PRO A 43 8.529 7.246 -6.014 1.00 0.00 C ATOM 656 O PRO A 43 8.770 6.633 -4.975 1.00 0.00 O ATOM 657 CB PRO A 43 6.501 6.318 -7.236 1.00 0.00 C ATOM 658 CG PRO A 43 6.267 4.871 -6.834 1.00 0.00 C ATOM 659 CD PRO A 43 7.590 4.134 -6.954 1.00 0.00 C ATOM 0 HA PRO A 43 8.311 7.132 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.027 7.001 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.073 6.525 -8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.890 4.815 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.515 4.413 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.862 3.653 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.539 3.350 -7.710 1.00 0.00 H new ATOM 667 N THR A 44 8.686 8.553 -6.167 1.00 0.00 N ATOM 668 CA THR A 44 9.173 9.381 -5.078 1.00 0.00 C ATOM 669 C THR A 44 8.112 9.500 -3.982 1.00 0.00 C ATOM 670 O THR A 44 6.933 9.245 -4.225 1.00 0.00 O ATOM 671 CB THR A 44 9.597 10.730 -5.662 1.00 0.00 C ATOM 672 OG1 THR A 44 8.419 11.217 -6.300 1.00 0.00 O ATOM 673 CG2 THR A 44 10.606 10.584 -6.803 1.00 0.00 C ATOM 0 H THR A 44 8.484 9.059 -7.030 1.00 0.00 H new ATOM 0 HA THR A 44 10.042 8.931 -4.598 1.00 0.00 H new ATOM 0 HB THR A 44 10.028 11.347 -4.874 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.603 12.090 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.873 11.571 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.501 10.082 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.164 9.995 -7.607 1.00 0.00 H new ATOM 681 N GLU A 45 8.568 9.887 -2.800 1.00 0.00 N ATOM 682 CA GLU A 45 7.672 10.043 -1.667 1.00 0.00 C ATOM 683 C GLU A 45 6.522 10.986 -2.025 1.00 0.00 C ATOM 684 O GLU A 45 5.441 10.902 -1.443 1.00 0.00 O ATOM 685 CB GLU A 45 8.428 10.543 -0.435 1.00 0.00 C ATOM 686 CG GLU A 45 8.796 9.383 0.492 1.00 0.00 C ATOM 687 CD GLU A 45 8.461 9.715 1.947 1.00 0.00 C ATOM 688 OE1 GLU A 45 7.294 9.480 2.328 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.379 10.197 2.645 1.00 0.00 O ATOM 0 H GLU A 45 9.546 10.097 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 45 7.253 9.067 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.333 11.065 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.814 11.264 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.258 8.485 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.860 9.164 0.401 1.00 0.00 H new ATOM 696 N ALA A 46 6.793 11.862 -2.981 1.00 0.00 N ATOM 697 CA ALA A 46 5.794 12.820 -3.423 1.00 0.00 C ATOM 698 C ALA A 46 4.691 12.085 -4.186 1.00 0.00 C ATOM 699 O ALA A 46 3.507 12.285 -3.919 1.00 0.00 O ATOM 700 CB ALA A 46 6.466 13.904 -4.269 1.00 0.00 C ATOM 0 H ALA A 46 7.690 11.929 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 46 5.331 13.313 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.717 14.623 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.221 14.416 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.939 13.446 -5.138 1.00 0.00 H new ATOM 706 N GLU A 47 5.118 11.249 -5.121 1.00 0.00 N ATOM 707 CA GLU A 47 4.181 10.482 -5.925 1.00 0.00 C ATOM 708 C GLU A 47 3.279 9.636 -5.025 1.00 0.00 C ATOM 709 O GLU A 47 2.057 9.770 -5.063 1.00 0.00 O ATOM 710 CB GLU A 47 4.918 9.607 -6.941 1.00 0.00 C ATOM 711 CG GLU A 47 3.950 8.663 -7.656 1.00 0.00 C ATOM 712 CD GLU A 47 4.202 8.659 -9.165 1.00 0.00 C ATOM 713 OE1 GLU A 47 5.394 8.637 -9.541 1.00 0.00 O ATOM 714 OE2 GLU A 47 3.198 8.678 -9.908 1.00 0.00 O ATOM 0 H GLU A 47 6.101 11.086 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 47 3.555 11.179 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.422 10.239 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.690 9.027 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.064 7.653 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.923 8.969 -7.456 1.00 0.00 H new ATOM 721 N LEU A 48 3.916 8.783 -4.236 1.00 0.00 N ATOM 722 CA LEU A 48 3.186 7.915 -3.328 1.00 0.00 C ATOM 723 C LEU A 48 2.110 8.729 -2.606 1.00 0.00 C ATOM 724 O LEU A 48 0.922 8.427 -2.712 1.00 0.00 O ATOM 725 CB LEU A 48 4.150 7.195 -2.383 1.00 0.00 C ATOM 726 CG LEU A 48 5.247 6.363 -3.050 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.497 6.298 -2.171 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.731 4.970 -3.417 1.00 0.00 C ATOM 0 H LEU A 48 4.930 8.675 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 48 2.674 7.129 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.624 7.939 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.569 6.540 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 48 5.533 6.856 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.261 5.701 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.877 7.306 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.245 5.841 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.530 4.399 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.401 4.455 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.893 5.063 -4.108 1.00 0.00 H new ATOM 740 N GLN A 49 2.565 9.745 -1.887 1.00 0.00 N ATOM 741 CA GLN A 49 1.656 10.604 -1.147 1.00 0.00 C ATOM 742 C GLN A 49 0.392 10.871 -1.967 1.00 0.00 C ATOM 743 O GLN A 49 -0.721 10.726 -1.465 1.00 0.00 O ATOM 744 CB GLN A 49 2.340 11.914 -0.752 1.00 0.00 C ATOM 745 CG GLN A 49 1.980 12.310 0.682 1.00 0.00 C ATOM 746 CD GLN A 49 2.915 11.635 1.688 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.128 11.670 1.567 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.284 11.019 2.684 1.00 0.00 N ATOM 0 H GLN A 49 3.551 9.992 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 49 1.368 10.091 -0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.421 11.806 -0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.040 12.706 -1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.043 13.393 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.948 12.028 0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.265 11.028 2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.819 10.537 3.406 1.00 0.00 H new ATOM 757 N ASP A 50 0.607 11.257 -3.217 1.00 0.00 N ATOM 758 CA ASP A 50 -0.501 11.545 -4.111 1.00 0.00 C ATOM 759 C ASP A 50 -1.330 10.276 -4.315 1.00 0.00 C ATOM 760 O ASP A 50 -2.559 10.328 -4.327 1.00 0.00 O ATOM 761 CB ASP A 50 0.002 12.006 -5.481 1.00 0.00 C ATOM 762 CG ASP A 50 -0.415 13.423 -5.880 1.00 0.00 C ATOM 763 OD1 ASP A 50 -1.558 13.561 -6.368 1.00 0.00 O ATOM 764 OD2 ASP A 50 0.417 14.335 -5.688 1.00 0.00 O ATOM 0 H ASP A 50 1.532 11.377 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.100 12.337 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.090 11.948 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.361 11.310 -6.237 1.00 0.00 H new ATOM 769 N MET A 51 -0.625 9.165 -4.471 1.00 0.00 N ATOM 770 CA MET A 51 -1.281 7.885 -4.674 1.00 0.00 C ATOM 771 C MET A 51 -2.050 7.458 -3.422 1.00 0.00 C ATOM 772 O MET A 51 -3.255 7.219 -3.481 1.00 0.00 O ATOM 773 CB MET A 51 -0.233 6.823 -5.016 1.00 0.00 C ATOM 774 CG MET A 51 0.606 7.250 -6.222 1.00 0.00 C ATOM 775 SD MET A 51 2.100 6.276 -6.302 1.00 0.00 S ATOM 776 CE MET A 51 1.766 5.316 -7.769 1.00 0.00 C ATOM 0 H MET A 51 0.394 9.125 -4.461 1.00 0.00 H new ATOM 0 HA MET A 51 -1.990 7.988 -5.496 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.417 6.658 -4.156 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.727 5.875 -5.229 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.030 7.124 -7.139 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.856 8.308 -6.145 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.605 4.649 -7.966 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.861 4.727 -7.620 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.628 5.985 -8.618 1.00 0.00 H new ATOM 786 N ILE A 52 -1.322 7.376 -2.319 1.00 0.00 N ATOM 787 CA ILE A 52 -1.921 6.982 -1.054 1.00 0.00 C ATOM 788 C ILE A 52 -3.247 7.723 -0.871 1.00 0.00 C ATOM 789 O ILE A 52 -4.255 7.117 -0.509 1.00 0.00 O ATOM 790 CB ILE A 52 -0.933 7.195 0.095 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.071 6.043 0.175 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.671 7.406 1.419 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.585 5.863 1.605 1.00 0.00 C ATOM 0 H ILE A 52 -0.323 7.575 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.149 5.916 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.365 8.103 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.400 5.121 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.909 6.238 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.947 7.555 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.313 8.284 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.280 6.530 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.297 5.038 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.077 6.779 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.252 5.644 2.268 1.00 0.00 H new ATOM 805 N ASN A 53 -3.203 9.021 -1.129 1.00 0.00 N ATOM 806 CA ASN A 53 -4.389 9.851 -0.997 1.00 0.00 C ATOM 807 C ASN A 53 -5.552 9.193 -1.742 1.00 0.00 C ATOM 808 O ASN A 53 -6.692 9.236 -1.283 1.00 0.00 O ATOM 809 CB ASN A 53 -4.162 11.237 -1.603 1.00 0.00 C ATOM 810 CG ASN A 53 -3.754 12.246 -0.528 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.159 12.167 0.620 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.931 13.196 -0.962 1.00 0.00 N ATOM 0 H ASN A 53 -2.365 9.519 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.612 9.955 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.387 11.181 -2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.073 11.575 -2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.601 13.917 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.630 13.204 -1.937 1.00 0.00 H new ATOM 819 N GLU A 54 -5.223 8.600 -2.881 1.00 0.00 N ATOM 820 CA GLU A 54 -6.226 7.934 -3.694 1.00 0.00 C ATOM 821 C GLU A 54 -6.898 6.814 -2.898 1.00 0.00 C ATOM 822 O GLU A 54 -8.091 6.561 -3.060 1.00 0.00 O ATOM 823 CB GLU A 54 -5.613 7.395 -4.988 1.00 0.00 C ATOM 824 CG GLU A 54 -4.888 8.503 -5.755 1.00 0.00 C ATOM 825 CD GLU A 54 -4.826 8.186 -7.250 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.121 7.213 -7.595 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.486 8.923 -8.015 1.00 0.00 O ATOM 0 H GLU A 54 -4.276 8.567 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.987 8.665 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.914 6.591 -4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.395 6.966 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.402 9.452 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.878 8.621 -5.363 1.00 0.00 H new ATOM 834 N VAL A 55 -6.103 6.173 -2.054 1.00 0.00 N ATOM 835 CA VAL A 55 -6.606 5.085 -1.232 1.00 0.00 C ATOM 836 C VAL A 55 -6.581 5.510 0.238 1.00 0.00 C ATOM 837 O VAL A 55 -6.380 4.680 1.124 1.00 0.00 O ATOM 838 CB VAL A 55 -5.801 3.811 -1.500 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.496 2.934 -2.543 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.371 4.146 -1.928 1.00 0.00 C ATOM 0 H VAL A 55 -5.114 6.386 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.641 4.859 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.747 3.246 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.904 2.035 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.485 2.653 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.595 3.488 -3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.821 3.223 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.394 4.743 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.877 4.711 -1.137 1.00 0.00 H new ATOM 850 N ASP A 56 -6.789 6.801 0.452 1.00 0.00 N ATOM 851 CA ASP A 56 -6.793 7.345 1.799 1.00 0.00 C ATOM 852 C ASP A 56 -7.647 8.614 1.828 1.00 0.00 C ATOM 853 O ASP A 56 -7.191 9.683 1.424 1.00 0.00 O ATOM 854 CB ASP A 56 -5.379 7.716 2.247 1.00 0.00 C ATOM 855 CG ASP A 56 -5.306 8.797 3.328 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.264 9.985 2.940 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.293 8.412 4.517 1.00 0.00 O ATOM 0 H ASP A 56 -6.956 7.486 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.195 6.585 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.884 6.818 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.815 8.054 1.377 1.00 0.00 H new ATOM 862 N ALA A 57 -8.871 8.455 2.310 1.00 0.00 N ATOM 863 CA ALA A 57 -9.792 9.575 2.398 1.00 0.00 C ATOM 864 C ALA A 57 -9.722 10.179 3.802 1.00 0.00 C ATOM 865 O ALA A 57 -10.247 11.266 4.041 1.00 0.00 O ATOM 866 CB ALA A 57 -11.203 9.106 2.035 1.00 0.00 C ATOM 0 H ALA A 57 -9.246 7.567 2.644 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.515 10.355 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.894 9.946 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.206 8.713 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.516 8.324 2.727 1.00 0.00 H new ATOM 872 N ASP A 58 -9.070 9.448 4.694 1.00 0.00 N ATOM 873 CA ASP A 58 -8.924 9.898 6.068 1.00 0.00 C ATOM 874 C ASP A 58 -7.848 10.983 6.133 1.00 0.00 C ATOM 875 O ASP A 58 -8.003 11.975 6.844 1.00 0.00 O ATOM 876 CB ASP A 58 -8.493 8.749 6.981 1.00 0.00 C ATOM 877 CG ASP A 58 -7.050 8.828 7.482 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.751 9.807 8.199 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.279 7.907 7.138 1.00 0.00 O ATOM 0 H ASP A 58 -8.637 8.547 4.492 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.888 10.281 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.160 8.720 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.624 7.809 6.444 1.00 0.00 H new ATOM 884 N GLY A 59 -6.780 10.758 5.382 1.00 0.00 N ATOM 885 CA GLY A 59 -5.678 11.705 5.346 1.00 0.00 C ATOM 886 C GLY A 59 -4.728 11.486 6.526 1.00 0.00 C ATOM 887 O GLY A 59 -4.132 12.436 7.031 1.00 0.00 O ATOM 0 H GLY A 59 -6.654 9.934 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.131 11.597 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.067 12.723 5.372 1.00 0.00 H new ATOM 891 N ASN A 60 -4.618 10.230 6.931 1.00 0.00 N ATOM 892 CA ASN A 60 -3.752 9.875 8.042 1.00 0.00 C ATOM 893 C ASN A 60 -2.307 9.786 7.548 1.00 0.00 C ATOM 894 O ASN A 60 -1.371 9.832 8.345 1.00 0.00 O ATOM 895 CB ASN A 60 -4.136 8.514 8.627 1.00 0.00 C ATOM 896 CG ASN A 60 -3.869 7.390 7.624 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.851 7.590 6.420 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.665 6.202 8.184 1.00 0.00 N ATOM 0 H ASN A 60 -5.114 9.445 6.510 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.858 10.641 8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.569 8.334 9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.191 8.517 8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.479 5.387 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.694 6.105 9.199 1.00 0.00 H new ATOM 905 N GLY A 61 -2.170 9.659 6.236 1.00 0.00 N ATOM 906 CA GLY A 61 -0.855 9.563 5.627 1.00 0.00 C ATOM 907 C GLY A 61 -0.501 8.108 5.312 1.00 0.00 C ATOM 908 O GLY A 61 0.247 7.836 4.374 1.00 0.00 O ATOM 0 H GLY A 61 -2.949 9.620 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.831 10.153 4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.108 9.986 6.299 1.00 0.00 H new ATOM 912 N THR A 62 -1.055 7.211 6.115 1.00 0.00 N ATOM 913 CA THR A 62 -0.807 5.791 5.934 1.00 0.00 C ATOM 914 C THR A 62 -2.010 5.120 5.267 1.00 0.00 C ATOM 915 O THR A 62 -3.079 5.719 5.161 1.00 0.00 O ATOM 916 CB THR A 62 -0.458 5.194 7.299 1.00 0.00 C ATOM 917 OG1 THR A 62 0.267 6.230 7.956 1.00 0.00 O ATOM 918 CG2 THR A 62 0.546 4.044 7.196 1.00 0.00 C ATOM 0 H THR A 62 -1.675 7.440 6.892 1.00 0.00 H new ATOM 0 HA THR A 62 0.035 5.619 5.263 1.00 0.00 H new ATOM 0 HB THR A 62 -1.368 4.839 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.531 5.928 8.850 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.759 3.657 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.127 3.249 6.580 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.469 4.406 6.743 1.00 0.00 H new ATOM 926 N ILE A 63 -1.795 3.887 4.834 1.00 0.00 N ATOM 927 CA ILE A 63 -2.848 3.128 4.181 1.00 0.00 C ATOM 928 C ILE A 63 -3.221 1.927 5.051 1.00 0.00 C ATOM 929 O ILE A 63 -2.353 1.305 5.662 1.00 0.00 O ATOM 930 CB ILE A 63 -2.432 2.751 2.757 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.244 3.999 1.892 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.427 1.768 2.138 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.469 4.244 1.009 1.00 0.00 C ATOM 0 H ILE A 63 -0.906 3.394 4.923 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.746 3.736 4.076 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.468 2.245 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.072 4.866 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.358 3.883 1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.108 1.516 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.467 0.862 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.416 2.225 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.309 5.137 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.624 3.386 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.348 4.384 1.638 1.00 0.00 H new ATOM 945 N ASP A 64 -4.513 1.636 5.081 1.00 0.00 N ATOM 946 CA ASP A 64 -5.012 0.520 5.866 1.00 0.00 C ATOM 947 C ASP A 64 -5.578 -0.547 4.927 1.00 0.00 C ATOM 948 O ASP A 64 -5.446 -0.439 3.709 1.00 0.00 O ATOM 949 CB ASP A 64 -6.134 0.966 6.806 1.00 0.00 C ATOM 950 CG ASP A 64 -5.771 2.117 7.746 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.999 1.854 8.694 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.273 3.234 7.496 1.00 0.00 O ATOM 0 H ASP A 64 -5.230 2.154 4.574 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.184 0.125 6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.993 1.264 6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.446 0.111 7.406 1.00 0.00 H new ATOM 957 N PHE A 65 -6.195 -1.552 5.529 1.00 0.00 N ATOM 958 CA PHE A 65 -6.782 -2.638 4.762 1.00 0.00 C ATOM 959 C PHE A 65 -8.057 -2.180 4.051 1.00 0.00 C ATOM 960 O PHE A 65 -8.258 -2.480 2.875 1.00 0.00 O ATOM 961 CB PHE A 65 -7.135 -3.747 5.754 1.00 0.00 C ATOM 962 CG PHE A 65 -7.414 -5.102 5.100 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.572 -5.583 4.147 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.505 -5.824 5.471 1.00 0.00 C ATOM 965 CE1 PHE A 65 -6.831 -6.840 3.539 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.764 -7.082 4.864 1.00 0.00 C ATOM 967 CZ PHE A 65 -7.922 -7.563 3.911 1.00 0.00 C ATOM 0 H PHE A 65 -6.302 -1.638 6.540 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.078 -2.981 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.316 -3.860 6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.012 -3.443 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.706 -5.009 3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.174 -5.441 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.162 -7.222 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.630 -7.656 5.160 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.119 -8.519 3.449 1.00 0.00 H new ATOM 977 N PRO A 66 -8.907 -1.442 4.814 1.00 0.00 N ATOM 978 CA PRO A 66 -10.157 -0.940 4.270 1.00 0.00 C ATOM 979 C PRO A 66 -9.911 0.246 3.335 1.00 0.00 C ATOM 980 O PRO A 66 -10.824 0.695 2.643 1.00 0.00 O ATOM 981 CB PRO A 66 -10.996 -0.576 5.483 1.00 0.00 C ATOM 982 CG PRO A 66 -10.021 -0.449 6.642 1.00 0.00 C ATOM 983 CD PRO A 66 -8.701 -1.067 6.210 1.00 0.00 C ATOM 0 HA PRO A 66 -10.672 -1.676 3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.533 0.359 5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.744 -1.343 5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.882 0.598 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.409 -0.957 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.879 -0.358 6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.451 -1.935 6.821 1.00 0.00 H new ATOM 991 N GLU A 67 -8.674 0.719 3.344 1.00 0.00 N ATOM 992 CA GLU A 67 -8.296 1.844 2.506 1.00 0.00 C ATOM 993 C GLU A 67 -7.596 1.350 1.238 1.00 0.00 C ATOM 994 O GLU A 67 -7.667 1.996 0.194 1.00 0.00 O ATOM 995 CB GLU A 67 -7.411 2.827 3.274 1.00 0.00 C ATOM 996 CG GLU A 67 -7.865 2.953 4.729 1.00 0.00 C ATOM 997 CD GLU A 67 -8.807 4.145 4.908 1.00 0.00 C ATOM 998 OE1 GLU A 67 -9.946 4.050 4.401 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.368 5.125 5.549 1.00 0.00 O ATOM 0 H GLU A 67 -7.920 0.343 3.919 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.202 2.375 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.375 2.491 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.445 3.805 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.369 2.037 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.996 3.071 5.376 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.936 0.209 1.372 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.223 -0.379 0.250 1.00 0.00 C ATOM 1008 C PHE A 68 -7.117 -1.357 -0.515 1.00 0.00 C ATOM 1009 O PHE A 68 -7.028 -1.458 -1.737 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.030 -1.142 0.829 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.608 -2.357 0.001 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.323 -3.512 0.075 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.518 -2.284 -0.809 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.932 -4.640 -0.693 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.127 -3.412 -1.577 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.842 -4.566 -1.503 1.00 0.00 C ATOM 0 H PHE A 68 -6.880 -0.324 2.240 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.909 0.402 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.183 -0.461 0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.277 -1.471 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.188 -3.571 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.950 -1.368 -0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.500 -5.557 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.261 -3.353 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.544 -5.424 -2.087 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.957 -2.053 0.237 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.866 -3.020 -0.355 1.00 0.00 C ATOM 1028 C LEU A 69 -9.429 -2.452 -1.659 1.00 0.00 C ATOM 1029 O LEU A 69 -9.602 -3.181 -2.635 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.942 -3.430 0.652 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.587 -4.598 1.575 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.534 -4.656 2.775 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.558 -5.918 0.802 1.00 0.00 C ATOM 0 H LEU A 69 -8.027 -1.967 1.251 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.334 -3.937 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.182 -2.565 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.846 -3.690 0.102 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.583 -4.432 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.260 -5.495 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.460 -3.728 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.558 -4.787 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.303 -6.732 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.538 -6.105 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.812 -5.859 0.010 1.00 0.00 H new ATOM 1045 N THR A 70 -9.700 -1.155 -1.634 1.00 0.00 N ATOM 1046 CA THR A 70 -10.240 -0.481 -2.803 1.00 0.00 C ATOM 1047 C THR A 70 -9.286 -0.626 -3.990 1.00 0.00 C ATOM 1048 O THR A 70 -9.712 -0.958 -5.096 1.00 0.00 O ATOM 1049 CB THR A 70 -10.520 0.974 -2.422 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.815 1.608 -3.664 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.268 1.699 -1.922 1.00 0.00 C ATOM 0 H THR A 70 -9.556 -0.553 -0.823 1.00 0.00 H new ATOM 0 HA THR A 70 -11.178 -0.934 -3.123 1.00 0.00 H new ATOM 0 HB THR A 70 -11.291 1.006 -1.652 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.010 2.556 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.521 2.728 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.880 1.190 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.509 1.697 -2.705 1.00 0.00 H new ATOM 1059 N MET A 71 -8.015 -0.369 -3.722 1.00 0.00 N ATOM 1060 CA MET A 71 -6.997 -0.466 -4.754 1.00 0.00 C ATOM 1061 C MET A 71 -7.167 -1.748 -5.573 1.00 0.00 C ATOM 1062 O MET A 71 -7.348 -1.694 -6.788 1.00 0.00 O ATOM 1063 CB MET A 71 -5.610 -0.454 -4.108 1.00 0.00 C ATOM 1064 CG MET A 71 -4.722 0.621 -4.738 1.00 0.00 C ATOM 1065 SD MET A 71 -3.278 -0.132 -5.469 1.00 0.00 S ATOM 1066 CE MET A 71 -3.707 -0.010 -7.197 1.00 0.00 C ATOM 0 H MET A 71 -7.666 -0.093 -2.804 1.00 0.00 H new ATOM 0 HA MET A 71 -7.103 0.388 -5.423 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.705 -0.271 -3.038 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.142 -1.432 -4.224 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.281 1.167 -5.497 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.421 1.345 -3.981 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.907 -0.438 -7.802 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.632 -0.555 -7.382 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.844 1.038 -7.465 1.00 0.00 H new ATOM 1076 N MET A 72 -7.104 -2.872 -4.873 1.00 0.00 N ATOM 1077 CA MET A 72 -7.249 -4.165 -5.519 1.00 0.00 C ATOM 1078 C MET A 72 -8.555 -4.238 -6.312 1.00 0.00 C ATOM 1079 O MET A 72 -8.594 -4.810 -7.401 1.00 0.00 O ATOM 1080 CB MET A 72 -7.231 -5.270 -4.461 1.00 0.00 C ATOM 1081 CG MET A 72 -5.867 -5.347 -3.772 1.00 0.00 C ATOM 1082 SD MET A 72 -5.008 -6.826 -4.283 1.00 0.00 S ATOM 1083 CE MET A 72 -3.740 -6.108 -5.314 1.00 0.00 C ATOM 0 H MET A 72 -6.954 -2.913 -3.865 1.00 0.00 H new ATOM 0 HA MET A 72 -6.418 -4.300 -6.211 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.007 -5.081 -3.719 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.462 -6.228 -4.927 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.274 -4.467 -4.022 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.996 -5.347 -2.690 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.108 -6.899 -5.718 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.205 -5.560 -6.134 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.132 -5.426 -4.720 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.594 -3.651 -5.736 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.899 -3.643 -6.375 1.00 0.00 C ATOM 1095 C ALA A 73 -10.837 -2.784 -7.640 1.00 0.00 C ATOM 1096 O ALA A 73 -11.334 -3.184 -8.691 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.950 -3.143 -5.382 1.00 0.00 C ATOM 0 H ALA A 73 -9.558 -3.177 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.186 -4.651 -6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.929 -3.137 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.974 -3.803 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.696 -2.132 -5.062 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.222 -1.619 -7.496 1.00 0.00 N ATOM 1104 CA ARG A 74 -10.089 -0.700 -8.614 1.00 0.00 C ATOM 1105 C ARG A 74 -8.631 -0.631 -9.073 1.00 0.00 C ATOM 1106 O ARG A 74 -8.031 0.443 -9.086 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.564 0.703 -8.233 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.708 1.285 -7.105 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.324 2.736 -7.401 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.910 3.633 -6.380 1.00 0.00 N ATOM 1111 CZ ARG A 74 -9.878 4.971 -6.448 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -9.287 5.575 -7.488 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -10.436 5.704 -5.476 1.00 0.00 N ATOM 0 H ARG A 74 -9.810 -1.291 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.712 -1.073 -9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.516 1.356 -9.104 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.607 0.665 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.257 1.235 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.807 0.685 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.239 2.839 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.678 3.020 -8.392 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.367 3.206 -5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.862 5.016 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.263 6.593 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.885 5.244 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.412 6.722 -5.527 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.103 -1.790 -9.437 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.726 -1.874 -9.896 1.00 0.00 C ATOM 1129 C LYS A 75 -6.475 -0.787 -10.943 1.00 0.00 C ATOM 1130 O LYS A 75 -6.855 -0.938 -12.103 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.411 -3.288 -10.389 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.469 -4.008 -9.422 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.195 -5.440 -9.888 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.310 -5.450 -11.136 1.00 0.00 C ATOM 1135 NZ LYS A 75 -2.890 -5.634 -10.762 1.00 0.00 N ATOM 1136 OXT LYS A 75 -5.835 0.284 -10.496 1.00 0.00 O ATOM 0 H LYS A 75 -8.603 -2.679 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.037 -1.688 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.336 -3.856 -10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.955 -3.239 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.530 -3.460 -9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.908 -4.024 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.709 -6.000 -9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.138 -5.943 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.623 -6.252 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.430 -4.514 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.303 -5.639 -11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.591 -4.855 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.777 -6.538 -10.261 1.00 0.00 H new