USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 496 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 11 ASN : amide:sc= 1.04 K(o=2.3,f=1.4) USER MOD Set 1.2: A 70 TYR OH : rot 21:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -152:sc= -0.861 (180deg=-3.65!) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 1.29 (180deg=0.426) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 32 TYR OH : rot -5:sc=-0.00935 USER MOD Single : A 50 MET CE :methyl 161:sc= -0.649 (180deg=-1.42!) USER MOD Single : A 52 LYS NZ :NH3+ 145:sc= 1.2 (180deg=0.29) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.17) USER MOD Single : A 69 LYS NZ :NH3+ -139:sc= 1.04 (180deg=-0.644) USER MOD Single : A 74 MET CE :methyl 157:sc= 0 (180deg=-0.339) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -12.188 1.843 0.427 1.00 12.44 N ATOM 85 CA ALA A 6 -11.275 1.845 -0.697 1.00 13.11 C ATOM 86 C ALA A 6 -9.891 2.243 -0.214 1.00 73.15 C ATOM 87 O ALA A 6 -8.955 1.523 -0.525 1.00 4.22 O ATOM 88 CB ALA A 6 -11.775 2.779 -1.804 1.00 14.01 C ATOM 0 HA ALA A 6 -11.222 0.844 -1.125 1.00 13.11 H new ATOM 0 HB1 ALA A 6 -11.073 2.764 -2.638 1.00 14.01 H new ATOM 0 HB2 ALA A 6 -12.754 2.444 -2.148 1.00 14.01 H new ATOM 0 HB3 ALA A 6 -11.855 3.794 -1.415 1.00 14.01 H new ATOM 94 N GLU A 7 -9.777 3.324 0.567 1.00 55.02 N ATOM 95 CA GLU A 7 -8.523 3.819 1.141 1.00 72.32 C ATOM 96 C GLU A 7 -7.792 2.683 1.850 1.00 42.21 C ATOM 97 O GLU A 7 -6.712 2.271 1.429 1.00 44.05 O ATOM 98 CB GLU A 7 -8.847 4.958 2.140 1.00 1.33 C ATOM 99 CG GLU A 7 -8.933 6.347 1.508 1.00 11.45 C ATOM 100 CD GLU A 7 -7.610 6.902 0.990 1.00 52.02 C ATOM 101 OE1 GLU A 7 -6.559 6.239 1.133 1.00 13.23 O ATOM 102 OE2 GLU A 7 -7.666 7.990 0.374 1.00 53.22 O ATOM 0 H GLU A 7 -10.582 3.896 0.824 1.00 55.02 H new ATOM 0 HA GLU A 7 -7.878 4.202 0.350 1.00 72.32 H new ATOM 0 HB2 GLU A 7 -9.795 4.736 2.630 1.00 1.33 H new ATOM 0 HB3 GLU A 7 -8.082 4.972 2.916 1.00 1.33 H new ATOM 0 HG2 GLU A 7 -9.643 6.310 0.682 1.00 11.45 H new ATOM 0 HG3 GLU A 7 -9.337 7.041 2.245 1.00 11.45 H new ATOM 109 N ALA A 8 -8.421 2.103 2.875 1.00 11.21 N ATOM 110 CA ALA A 8 -7.820 1.052 3.675 1.00 41.13 C ATOM 111 C ALA A 8 -7.345 -0.102 2.795 1.00 73.41 C ATOM 112 O ALA A 8 -6.211 -0.546 2.945 1.00 62.44 O ATOM 113 CB ALA A 8 -8.805 0.568 4.739 1.00 44.44 C ATOM 0 H ALA A 8 -9.365 2.355 3.168 1.00 11.21 H new ATOM 0 HA ALA A 8 -6.945 1.460 4.180 1.00 41.13 H new ATOM 0 HB1 ALA A 8 -8.342 -0.220 5.332 1.00 44.44 H new ATOM 0 HB2 ALA A 8 -9.076 1.400 5.389 1.00 44.44 H new ATOM 0 HB3 ALA A 8 -9.701 0.179 4.255 1.00 44.44 H new ATOM 119 N ARG A 9 -8.177 -0.617 1.877 1.00 12.01 N ATOM 120 CA ARG A 9 -7.741 -1.712 1.004 1.00 11.01 C ATOM 121 C ARG A 9 -6.664 -1.241 0.017 1.00 3.32 C ATOM 122 O ARG A 9 -5.789 -2.034 -0.304 1.00 71.54 O ATOM 123 CB ARG A 9 -8.951 -2.394 0.331 1.00 11.11 C ATOM 124 CG ARG A 9 -8.661 -3.741 -0.372 1.00 74.43 C ATOM 125 CD ARG A 9 -8.080 -4.838 0.538 1.00 42.14 C ATOM 126 NE ARG A 9 -8.289 -6.201 -0.006 1.00 32.40 N ATOM 127 CZ ARG A 9 -7.688 -7.325 0.422 1.00 22.41 C ATOM 128 NH1 ARG A 9 -6.910 -7.285 1.497 1.00 15.11 N ATOM 129 NH2 ARG A 9 -7.848 -8.477 -0.221 1.00 11.43 N ATOM 0 H ARG A 9 -9.134 -0.300 1.723 1.00 12.01 H new ATOM 0 HA ARG A 9 -7.264 -2.481 1.612 1.00 11.01 H new ATOM 0 HB2 ARG A 9 -9.718 -2.559 1.088 1.00 11.11 H new ATOM 0 HB3 ARG A 9 -9.370 -1.706 -0.403 1.00 11.11 H new ATOM 0 HG2 ARG A 9 -9.587 -4.109 -0.814 1.00 74.43 H new ATOM 0 HG3 ARG A 9 -7.965 -3.563 -1.192 1.00 74.43 H new ATOM 0 HD2 ARG A 9 -7.012 -4.665 0.673 1.00 42.14 H new ATOM 0 HD3 ARG A 9 -8.541 -4.769 1.523 1.00 42.14 H new ATOM 0 HE ARG A 9 -8.950 -6.295 -0.777 1.00 32.40 H new ATOM 0 HH11 ARG A 9 -6.771 -6.405 1.993 1.00 15.11 H new ATOM 0 HH12 ARG A 9 -6.451 -8.134 1.827 1.00 15.11 H new ATOM 0 HH21 ARG A 9 -8.435 -8.519 -1.054 1.00 11.43 H new ATOM 0 HH22 ARG A 9 -7.384 -9.319 0.119 1.00 11.43 H new ATOM 143 N ARG A 10 -6.657 0.013 -0.452 1.00 62.44 N ATOM 144 CA ARG A 10 -5.626 0.550 -1.352 1.00 20.33 C ATOM 145 C ARG A 10 -4.296 0.509 -0.626 1.00 62.32 C ATOM 146 O ARG A 10 -3.349 -0.103 -1.122 1.00 53.03 O ATOM 147 CB ARG A 10 -5.999 1.976 -1.842 1.00 0.21 C ATOM 148 CG ARG A 10 -5.410 2.329 -3.221 1.00 75.13 C ATOM 149 CD ARG A 10 -4.053 3.040 -3.152 1.00 52.14 C ATOM 150 NE ARG A 10 -4.207 4.500 -3.107 1.00 13.45 N ATOM 151 CZ ARG A 10 -4.197 5.397 -4.100 1.00 31.11 C ATOM 152 NH1 ARG A 10 -3.931 5.054 -5.357 1.00 34.40 N ATOM 153 NH2 ARG A 10 -4.495 6.661 -3.841 1.00 34.12 N ATOM 0 H ARG A 10 -7.378 0.694 -0.214 1.00 62.44 H new ATOM 0 HA ARG A 10 -5.552 -0.060 -2.252 1.00 20.33 H new ATOM 0 HB2 ARG A 10 -7.085 2.063 -1.887 1.00 0.21 H new ATOM 0 HB3 ARG A 10 -5.651 2.705 -1.110 1.00 0.21 H new ATOM 0 HG2 ARG A 10 -5.301 1.414 -3.804 1.00 75.13 H new ATOM 0 HG3 ARG A 10 -6.116 2.965 -3.755 1.00 75.13 H new ATOM 0 HD2 ARG A 10 -3.510 2.704 -2.268 1.00 52.14 H new ATOM 0 HD3 ARG A 10 -3.453 2.764 -4.019 1.00 52.14 H new ATOM 0 HE ARG A 10 -4.343 4.891 -2.175 1.00 13.45 H new ATOM 0 HH11 ARG A 10 -3.726 4.082 -5.588 1.00 34.40 H new ATOM 0 HH12 ARG A 10 -3.932 5.763 -6.090 1.00 34.40 H new ATOM 0 HH21 ARG A 10 -4.730 6.945 -2.890 1.00 34.12 H new ATOM 0 HH22 ARG A 10 -4.490 7.351 -4.593 1.00 34.12 H new ATOM 167 N ASN A 11 -4.232 1.119 0.555 1.00 15.13 N ATOM 168 CA ASN A 11 -3.000 1.161 1.322 1.00 0.40 C ATOM 169 C ASN A 11 -2.619 -0.244 1.771 1.00 15.22 C ATOM 170 O ASN A 11 -1.451 -0.605 1.696 1.00 22.11 O ATOM 171 CB ASN A 11 -3.082 2.176 2.478 1.00 33.23 C ATOM 172 CG ASN A 11 -3.278 3.578 1.911 1.00 0.13 C ATOM 173 OD1 ASN A 11 -2.438 4.024 1.137 1.00 20.45 O ATOM 174 ND2 ASN A 11 -4.379 4.250 2.174 1.00 42.15 N ATOM 0 H ASN A 11 -5.021 1.590 0.998 1.00 15.13 H new ATOM 0 HA ASN A 11 -2.194 1.522 0.683 1.00 0.40 H new ATOM 0 HB2 ASN A 11 -3.909 1.922 3.141 1.00 33.23 H new ATOM 0 HB3 ASN A 11 -2.171 2.138 3.075 1.00 33.23 H new ATOM 0 HD21 ASN A 11 -4.542 5.154 1.732 1.00 42.15 H new ATOM 0 HD22 ASN A 11 -5.069 3.866 2.820 1.00 42.15 H new ATOM 181 N LYS A 12 -3.575 -1.099 2.160 1.00 63.22 N ATOM 182 CA LYS A 12 -3.292 -2.489 2.531 1.00 63.24 C ATOM 183 C LYS A 12 -2.640 -3.242 1.373 1.00 52.32 C ATOM 184 O LYS A 12 -1.562 -3.800 1.557 1.00 73.22 O ATOM 185 CB LYS A 12 -4.540 -3.198 3.077 1.00 32.20 C ATOM 186 CG LYS A 12 -4.198 -4.619 3.549 1.00 3.00 C ATOM 187 CD LYS A 12 -5.259 -5.192 4.491 1.00 14.21 C ATOM 188 CE LYS A 12 -4.988 -6.690 4.663 1.00 64.44 C ATOM 189 NZ LYS A 12 -6.011 -7.391 5.462 1.00 14.13 N ATOM 0 H LYS A 12 -4.561 -0.846 2.226 1.00 63.22 H new ATOM 0 HA LYS A 12 -2.571 -2.481 3.348 1.00 63.24 H new ATOM 0 HB2 LYS A 12 -4.956 -2.625 3.906 1.00 32.20 H new ATOM 0 HB3 LYS A 12 -5.307 -3.242 2.303 1.00 32.20 H new ATOM 0 HG2 LYS A 12 -4.095 -5.272 2.682 1.00 3.00 H new ATOM 0 HG3 LYS A 12 -3.233 -4.608 4.056 1.00 3.00 H new ATOM 0 HD2 LYS A 12 -5.224 -4.686 5.456 1.00 14.21 H new ATOM 0 HD3 LYS A 12 -6.257 -5.031 4.083 1.00 14.21 H new ATOM 0 HE2 LYS A 12 -4.928 -7.154 3.679 1.00 64.44 H new ATOM 0 HE3 LYS A 12 -4.016 -6.822 5.138 1.00 64.44 H new ATOM 0 HZ1 LYS A 12 -5.763 -8.398 5.537 1.00 14.13 H new ATOM 0 HZ2 LYS A 12 -6.054 -6.974 6.414 1.00 14.13 H new ATOM 0 HZ3 LYS A 12 -6.938 -7.296 5.000 1.00 14.13 H new ATOM 203 N LEU A 13 -3.248 -3.236 0.187 1.00 0.30 N ATOM 204 CA LEU A 13 -2.710 -3.955 -0.963 1.00 23.14 C ATOM 205 C LEU A 13 -1.306 -3.492 -1.356 1.00 23.31 C ATOM 206 O LEU A 13 -0.528 -4.341 -1.787 1.00 14.10 O ATOM 207 CB LEU A 13 -3.657 -3.879 -2.163 1.00 62.15 C ATOM 208 CG LEU A 13 -4.979 -4.643 -2.031 1.00 61.45 C ATOM 209 CD1 LEU A 13 -5.745 -4.459 -3.346 1.00 22.24 C ATOM 210 CD2 LEU A 13 -4.790 -6.126 -1.732 1.00 32.41 C ATOM 0 H LEU A 13 -4.118 -2.738 -0.001 1.00 0.30 H new ATOM 0 HA LEU A 13 -2.624 -4.996 -0.652 1.00 23.14 H new ATOM 0 HB2 LEU A 13 -3.885 -2.830 -2.354 1.00 62.15 H new ATOM 0 HB3 LEU A 13 -3.130 -4.255 -3.040 1.00 62.15 H new ATOM 0 HG LEU A 13 -5.532 -4.241 -1.182 1.00 61.45 H new ATOM 0 HD11 LEU A 13 -6.695 -4.990 -3.291 1.00 22.24 H new ATOM 0 HD12 LEU A 13 -5.931 -3.398 -3.513 1.00 22.24 H new ATOM 0 HD13 LEU A 13 -5.154 -4.858 -4.170 1.00 22.24 H new ATOM 0 HD21 LEU A 13 -5.764 -6.608 -1.651 1.00 32.41 H new ATOM 0 HD22 LEU A 13 -4.222 -6.590 -2.538 1.00 32.41 H new ATOM 0 HD23 LEU A 13 -4.249 -6.242 -0.793 1.00 32.41 H new ATOM 222 N MET A 14 -0.945 -2.208 -1.199 1.00 23.31 N ATOM 223 CA MET A 14 0.420 -1.752 -1.449 1.00 43.24 C ATOM 224 C MET A 14 1.434 -2.607 -0.688 1.00 20.10 C ATOM 225 O MET A 14 2.286 -3.245 -1.305 1.00 2.44 O ATOM 226 CB MET A 14 0.524 -0.250 -1.128 1.00 74.24 C ATOM 227 CG MET A 14 1.929 0.360 -1.226 1.00 32.15 C ATOM 228 SD MET A 14 2.942 -0.206 -2.619 1.00 24.43 S ATOM 229 CE MET A 14 3.745 1.328 -3.120 1.00 60.34 C ATOM 0 H MET A 14 -1.584 -1.472 -0.900 1.00 23.31 H new ATOM 0 HA MET A 14 0.665 -1.877 -2.504 1.00 43.24 H new ATOM 0 HB2 MET A 14 -0.135 0.293 -1.805 1.00 74.24 H new ATOM 0 HB3 MET A 14 0.148 -0.087 -0.118 1.00 74.24 H new ATOM 0 HG2 MET A 14 1.830 1.444 -1.290 1.00 32.15 H new ATOM 0 HG3 MET A 14 2.464 0.143 -0.301 1.00 32.15 H new ATOM 0 HE1 MET A 14 3.978 1.286 -4.184 1.00 60.34 H new ATOM 0 HE2 MET A 14 3.077 2.168 -2.928 1.00 60.34 H new ATOM 0 HE3 MET A 14 4.666 1.459 -2.551 1.00 60.34 H new ATOM 239 N GLY A 15 1.315 -2.684 0.638 1.00 55.32 N ATOM 240 CA GLY A 15 2.247 -3.420 1.480 1.00 62.15 C ATOM 241 C GLY A 15 2.417 -4.882 1.083 1.00 54.35 C ATOM 242 O GLY A 15 3.508 -5.409 1.271 1.00 64.32 O ATOM 0 H GLY A 15 0.562 -2.233 1.158 1.00 55.32 H new ATOM 0 HA2 GLY A 15 3.219 -2.929 1.444 1.00 62.15 H new ATOM 0 HA3 GLY A 15 1.903 -3.372 2.513 1.00 62.15 H new ATOM 246 N LEU A 16 1.397 -5.554 0.534 1.00 64.21 N ATOM 247 CA LEU A 16 1.541 -6.939 0.098 1.00 41.12 C ATOM 248 C LEU A 16 2.566 -7.042 -1.036 1.00 4.50 C ATOM 249 O LEU A 16 3.434 -7.916 -0.995 1.00 31.32 O ATOM 250 CB LEU A 16 0.193 -7.541 -0.340 1.00 62.31 C ATOM 251 CG LEU A 16 -0.742 -8.093 0.758 1.00 5.10 C ATOM 252 CD1 LEU A 16 -0.021 -8.950 1.802 1.00 40.45 C ATOM 253 CD2 LEU A 16 -1.530 -7.007 1.493 1.00 53.14 C ATOM 0 H LEU A 16 0.469 -5.159 0.384 1.00 64.21 H new ATOM 0 HA LEU A 16 1.899 -7.516 0.951 1.00 41.12 H new ATOM 0 HB2 LEU A 16 -0.353 -6.774 -0.890 1.00 62.31 H new ATOM 0 HB3 LEU A 16 0.400 -8.350 -1.041 1.00 62.31 H new ATOM 0 HG LEU A 16 -1.436 -8.721 0.200 1.00 5.10 H new ATOM 0 HD11 LEU A 16 -0.739 -9.303 2.542 1.00 40.45 H new ATOM 0 HD12 LEU A 16 0.446 -9.805 1.312 1.00 40.45 H new ATOM 0 HD13 LEU A 16 0.745 -8.353 2.297 1.00 40.45 H new ATOM 0 HD21 LEU A 16 -2.165 -7.467 2.250 1.00 53.14 H new ATOM 0 HD22 LEU A 16 -0.837 -6.316 1.973 1.00 53.14 H new ATOM 0 HD23 LEU A 16 -2.150 -6.462 0.781 1.00 53.14 H new ATOM 265 N TRP A 17 2.505 -6.161 -2.043 1.00 43.43 N ATOM 266 CA TRP A 17 3.503 -6.128 -3.118 1.00 2.30 C ATOM 267 C TRP A 17 4.893 -5.885 -2.524 1.00 40.12 C ATOM 268 O TRP A 17 5.838 -6.610 -2.824 1.00 63.44 O ATOM 269 CB TRP A 17 3.155 -5.049 -4.162 1.00 52.12 C ATOM 270 CG TRP A 17 4.225 -4.801 -5.184 1.00 11.01 C ATOM 271 CD1 TRP A 17 4.506 -5.598 -6.239 1.00 23.53 C ATOM 272 CD2 TRP A 17 5.203 -3.715 -5.239 1.00 13.15 C ATOM 273 NE1 TRP A 17 5.605 -5.102 -6.913 1.00 4.02 N ATOM 274 CE2 TRP A 17 6.075 -3.945 -6.339 1.00 4.12 C ATOM 275 CE3 TRP A 17 5.425 -2.540 -4.491 1.00 0.11 C ATOM 276 CZ2 TRP A 17 7.131 -3.081 -6.658 1.00 62.13 C ATOM 277 CZ3 TRP A 17 6.484 -1.665 -4.794 1.00 4.13 C ATOM 278 CH2 TRP A 17 7.343 -1.937 -5.875 1.00 0.22 C ATOM 0 H TRP A 17 1.771 -5.459 -2.135 1.00 43.43 H new ATOM 0 HA TRP A 17 3.501 -7.091 -3.628 1.00 2.30 H new ATOM 0 HB2 TRP A 17 2.240 -5.342 -4.677 1.00 52.12 H new ATOM 0 HB3 TRP A 17 2.943 -4.114 -3.643 1.00 52.12 H new ATOM 0 HD1 TRP A 17 3.956 -6.486 -6.513 1.00 23.53 H new ATOM 0 HE1 TRP A 17 6.017 -5.541 -7.736 1.00 4.02 H new ATOM 0 HE3 TRP A 17 4.767 -2.307 -3.667 1.00 0.11 H new ATOM 0 HZ2 TRP A 17 7.775 -3.294 -7.498 1.00 62.13 H new ATOM 0 HZ3 TRP A 17 6.639 -0.780 -4.194 1.00 4.13 H new ATOM 0 HH2 TRP A 17 8.161 -1.269 -6.100 1.00 0.22 H new ATOM 289 N VAL A 18 5.006 -4.885 -1.652 1.00 43.43 N ATOM 290 CA VAL A 18 6.275 -4.468 -1.073 1.00 62.43 C ATOM 291 C VAL A 18 6.887 -5.604 -0.244 1.00 54.22 C ATOM 292 O VAL A 18 8.070 -5.885 -0.382 1.00 72.41 O ATOM 293 CB VAL A 18 6.054 -3.224 -0.204 1.00 71.44 C ATOM 294 CG1 VAL A 18 7.376 -2.678 0.316 1.00 63.42 C ATOM 295 CG2 VAL A 18 5.327 -2.066 -0.898 1.00 71.45 C ATOM 0 H VAL A 18 4.209 -4.338 -1.326 1.00 43.43 H new ATOM 0 HA VAL A 18 6.972 -4.224 -1.875 1.00 62.43 H new ATOM 0 HB VAL A 18 5.414 -3.584 0.601 1.00 71.44 H new ATOM 0 HG11 VAL A 18 7.190 -1.796 0.929 1.00 63.42 H new ATOM 0 HG12 VAL A 18 7.873 -3.439 0.917 1.00 63.42 H new ATOM 0 HG13 VAL A 18 8.014 -2.407 -0.525 1.00 63.42 H new ATOM 0 HG21 VAL A 18 5.219 -1.234 -0.202 1.00 71.45 H new ATOM 0 HG22 VAL A 18 5.903 -1.741 -1.764 1.00 71.45 H new ATOM 0 HG23 VAL A 18 4.341 -2.398 -1.222 1.00 71.45 H new ATOM 305 N ALA A 19 6.099 -6.268 0.605 1.00 3.30 N ATOM 306 CA ALA A 19 6.560 -7.343 1.470 1.00 14.05 C ATOM 307 C ALA A 19 7.240 -8.443 0.655 1.00 23.35 C ATOM 308 O ALA A 19 8.324 -8.898 1.007 1.00 51.13 O ATOM 309 CB ALA A 19 5.369 -7.885 2.264 1.00 14.45 C ATOM 0 H ALA A 19 5.105 -6.065 0.708 1.00 3.30 H new ATOM 0 HA ALA A 19 7.305 -6.960 2.168 1.00 14.05 H new ATOM 0 HB1 ALA A 19 5.703 -8.692 2.916 1.00 14.45 H new ATOM 0 HB2 ALA A 19 4.940 -7.085 2.867 1.00 14.45 H new ATOM 0 HB3 ALA A 19 4.615 -8.265 1.575 1.00 14.45 H new ATOM 315 N GLU A 20 6.640 -8.819 -0.468 1.00 32.41 N ATOM 316 CA GLU A 20 7.186 -9.768 -1.428 1.00 61.31 C ATOM 317 C GLU A 20 8.505 -9.270 -2.042 1.00 41.34 C ATOM 318 O GLU A 20 9.449 -10.051 -2.191 1.00 14.02 O ATOM 319 CB GLU A 20 6.081 -10.003 -2.461 1.00 64.11 C ATOM 320 CG GLU A 20 6.525 -10.488 -3.839 1.00 60.33 C ATOM 321 CD GLU A 20 5.274 -10.770 -4.655 1.00 54.04 C ATOM 322 OE1 GLU A 20 4.534 -9.805 -4.965 1.00 42.35 O ATOM 323 OE2 GLU A 20 4.970 -11.950 -4.924 1.00 40.54 O ATOM 0 H GLU A 20 5.727 -8.458 -0.744 1.00 32.41 H new ATOM 0 HA GLU A 20 7.460 -10.710 -0.953 1.00 61.31 H new ATOM 0 HB2 GLU A 20 5.382 -10.733 -2.052 1.00 64.11 H new ATOM 0 HB3 GLU A 20 5.530 -9.071 -2.589 1.00 64.11 H new ATOM 0 HG2 GLU A 20 7.140 -9.734 -4.330 1.00 60.33 H new ATOM 0 HG3 GLU A 20 7.134 -11.387 -3.750 1.00 60.33 H new ATOM 330 N VAL A 21 8.606 -7.981 -2.380 1.00 72.54 N ATOM 331 CA VAL A 21 9.837 -7.340 -2.860 1.00 72.51 C ATOM 332 C VAL A 21 10.921 -7.307 -1.763 1.00 1.11 C ATOM 333 O VAL A 21 12.108 -7.226 -2.080 1.00 40.31 O ATOM 334 CB VAL A 21 9.480 -5.931 -3.392 1.00 54.34 C ATOM 335 CG1 VAL A 21 10.692 -5.041 -3.681 1.00 44.42 C ATOM 336 CG2 VAL A 21 8.651 -6.019 -4.684 1.00 1.34 C ATOM 0 H VAL A 21 7.816 -7.338 -2.327 1.00 72.54 H new ATOM 0 HA VAL A 21 10.267 -7.922 -3.675 1.00 72.51 H new ATOM 0 HB VAL A 21 8.910 -5.475 -2.583 1.00 54.34 H new ATOM 0 HG11 VAL A 21 10.353 -4.073 -4.050 1.00 44.42 H new ATOM 0 HG12 VAL A 21 11.266 -4.900 -2.765 1.00 44.42 H new ATOM 0 HG13 VAL A 21 11.321 -5.516 -4.434 1.00 44.42 H new ATOM 0 HG21 VAL A 21 8.415 -5.014 -5.034 1.00 1.34 H new ATOM 0 HG22 VAL A 21 9.223 -6.545 -5.448 1.00 1.34 H new ATOM 0 HG23 VAL A 21 7.726 -6.561 -4.487 1.00 1.34 H new ATOM 346 N LEU A 22 10.536 -7.382 -0.486 1.00 51.02 N ATOM 347 CA LEU A 22 11.410 -7.464 0.687 1.00 4.43 C ATOM 348 C LEU A 22 11.675 -8.918 1.100 1.00 11.24 C ATOM 349 O LEU A 22 12.389 -9.160 2.076 1.00 54.34 O ATOM 350 CB LEU A 22 10.757 -6.688 1.853 1.00 35.12 C ATOM 351 CG LEU A 22 11.201 -5.221 1.963 1.00 14.11 C ATOM 352 CD1 LEU A 22 10.987 -4.394 0.696 1.00 44.32 C ATOM 353 CD2 LEU A 22 10.428 -4.535 3.090 1.00 21.22 C ATOM 0 H LEU A 22 9.549 -7.387 -0.229 1.00 51.02 H new ATOM 0 HA LEU A 22 12.373 -7.021 0.433 1.00 4.43 H new ATOM 0 HB2 LEU A 22 9.674 -6.720 1.734 1.00 35.12 H new ATOM 0 HB3 LEU A 22 10.990 -7.197 2.788 1.00 35.12 H new ATOM 0 HG LEU A 22 12.274 -5.261 2.151 1.00 14.11 H new ATOM 0 HD11 LEU A 22 11.329 -3.373 0.866 1.00 44.32 H new ATOM 0 HD12 LEU A 22 11.553 -4.834 -0.125 1.00 44.32 H new ATOM 0 HD13 LEU A 22 9.927 -4.384 0.442 1.00 44.32 H new ATOM 0 HD21 LEU A 22 10.744 -3.495 3.167 1.00 21.22 H new ATOM 0 HD22 LEU A 22 9.360 -4.575 2.876 1.00 21.22 H new ATOM 0 HD23 LEU A 22 10.628 -5.046 4.032 1.00 21.22 H new ATOM 365 N GLY A 23 11.069 -9.894 0.419 1.00 21.20 N ATOM 366 CA GLY A 23 11.182 -11.300 0.775 1.00 3.30 C ATOM 367 C GLY A 23 10.615 -11.604 2.161 1.00 4.53 C ATOM 368 O GLY A 23 11.031 -12.582 2.786 1.00 11.12 O ATOM 0 H GLY A 23 10.484 -9.724 -0.399 1.00 21.20 H new ATOM 0 HA2 GLY A 23 10.658 -11.902 0.032 1.00 3.30 H new ATOM 0 HA3 GLY A 23 12.231 -11.596 0.743 1.00 3.30 H new ATOM 372 N LYS A 24 9.732 -10.757 2.703 1.00 71.24 N ATOM 373 CA LYS A 24 8.870 -11.150 3.816 1.00 64.45 C ATOM 374 C LYS A 24 7.916 -12.205 3.260 1.00 22.34 C ATOM 375 O LYS A 24 7.659 -12.237 2.050 1.00 3.05 O ATOM 376 CB LYS A 24 8.079 -9.940 4.339 1.00 2.01 C ATOM 377 CG LYS A 24 8.923 -8.872 5.055 1.00 42.12 C ATOM 378 CD LYS A 24 8.094 -7.598 5.297 1.00 12.54 C ATOM 379 CE LYS A 24 8.868 -6.567 6.136 1.00 72.33 C ATOM 380 NZ LYS A 24 8.530 -6.641 7.571 1.00 43.03 N ATOM 0 H LYS A 24 9.598 -9.797 2.387 1.00 71.24 H new ATOM 0 HA LYS A 24 9.454 -11.538 4.651 1.00 64.45 H new ATOM 0 HB2 LYS A 24 7.563 -9.472 3.500 1.00 2.01 H new ATOM 0 HB3 LYS A 24 7.312 -10.296 5.026 1.00 2.01 H new ATOM 0 HG2 LYS A 24 9.284 -9.264 6.006 1.00 42.12 H new ATOM 0 HG3 LYS A 24 9.801 -8.632 4.455 1.00 42.12 H new ATOM 0 HD2 LYS A 24 7.819 -7.155 4.340 1.00 12.54 H new ATOM 0 HD3 LYS A 24 7.166 -7.859 5.806 1.00 12.54 H new ATOM 0 HE2 LYS A 24 9.938 -6.729 6.009 1.00 72.33 H new ATOM 0 HE3 LYS A 24 8.651 -5.565 5.766 1.00 72.33 H new ATOM 0 HZ1 LYS A 24 9.269 -6.164 8.127 1.00 43.03 H new ATOM 0 HZ2 LYS A 24 7.616 -6.173 7.737 1.00 43.03 H new ATOM 0 HZ3 LYS A 24 8.467 -7.638 7.862 1.00 43.03 H new ATOM 394 N SER A 25 7.335 -13.033 4.121 1.00 15.31 N ATOM 395 CA SER A 25 6.362 -14.029 3.684 1.00 32.10 C ATOM 396 C SER A 25 5.312 -14.228 4.765 1.00 65.24 C ATOM 397 O SER A 25 5.531 -13.827 5.910 1.00 34.24 O ATOM 398 CB SER A 25 7.049 -15.368 3.388 1.00 20.44 C ATOM 399 OG SER A 25 8.322 -15.240 2.782 1.00 12.43 O ATOM 0 H SER A 25 7.520 -13.035 5.124 1.00 15.31 H new ATOM 0 HA SER A 25 5.888 -13.670 2.770 1.00 32.10 H new ATOM 0 HB2 SER A 25 7.156 -15.924 4.320 1.00 20.44 H new ATOM 0 HB3 SER A 25 6.405 -15.959 2.736 1.00 20.44 H new ATOM 0 HG SER A 25 8.700 -16.130 2.624 1.00 12.43 H new ATOM 405 N GLY A 26 4.232 -14.938 4.445 1.00 71.23 N ATOM 406 CA GLY A 26 3.297 -15.442 5.434 1.00 71.13 C ATOM 407 C GLY A 26 2.728 -14.329 6.301 1.00 23.34 C ATOM 408 O GLY A 26 2.273 -13.296 5.803 1.00 14.24 O ATOM 0 H GLY A 26 3.985 -15.178 3.485 1.00 71.23 H new ATOM 0 HA2 GLY A 26 2.482 -15.962 4.930 1.00 71.13 H new ATOM 0 HA3 GLY A 26 3.799 -16.174 6.067 1.00 71.13 H new ATOM 412 N ASP A 27 2.750 -14.553 7.612 1.00 2.55 N ATOM 413 CA ASP A 27 2.144 -13.627 8.559 1.00 45.03 C ATOM 414 C ASP A 27 2.946 -12.325 8.666 1.00 44.24 C ATOM 415 O ASP A 27 2.340 -11.271 8.833 1.00 44.31 O ATOM 416 CB ASP A 27 1.956 -14.306 9.920 1.00 41.03 C ATOM 417 CG ASP A 27 0.618 -13.894 10.532 1.00 35.32 C ATOM 418 OD1 ASP A 27 -0.429 -14.364 10.029 1.00 13.34 O ATOM 419 OD2 ASP A 27 0.615 -13.107 11.509 1.00 72.41 O ATOM 0 H ASP A 27 3.183 -15.371 8.042 1.00 2.55 H new ATOM 0 HA ASP A 27 1.158 -13.350 8.187 1.00 45.03 H new ATOM 0 HB2 ASP A 27 1.993 -15.389 9.803 1.00 41.03 H new ATOM 0 HB3 ASP A 27 2.771 -14.030 10.589 1.00 41.03 H new ATOM 424 N GLU A 28 4.273 -12.371 8.470 1.00 33.12 N ATOM 425 CA GLU A 28 5.182 -11.230 8.325 1.00 11.15 C ATOM 426 C GLU A 28 4.700 -10.335 7.182 1.00 5.24 C ATOM 427 O GLU A 28 4.425 -9.145 7.362 1.00 61.41 O ATOM 428 CB GLU A 28 6.601 -11.773 8.034 1.00 65.11 C ATOM 429 CG GLU A 28 7.654 -11.390 9.074 1.00 52.34 C ATOM 430 CD GLU A 28 8.241 -9.973 8.929 1.00 4.53 C ATOM 431 OE1 GLU A 28 7.654 -9.135 8.218 1.00 3.02 O ATOM 432 OE2 GLU A 28 9.302 -9.671 9.539 1.00 35.54 O ATOM 0 H GLU A 28 4.767 -13.261 8.405 1.00 33.12 H new ATOM 0 HA GLU A 28 5.202 -10.636 9.238 1.00 11.15 H new ATOM 0 HB2 GLU A 28 6.553 -12.860 7.967 1.00 65.11 H new ATOM 0 HB3 GLU A 28 6.923 -11.408 7.059 1.00 65.11 H new ATOM 0 HG2 GLU A 28 7.211 -11.482 10.066 1.00 52.34 H new ATOM 0 HG3 GLU A 28 8.470 -12.110 9.022 1.00 52.34 H new ATOM 439 N ALA A 29 4.494 -10.942 6.009 1.00 33.23 N ATOM 440 CA ALA A 29 4.010 -10.245 4.828 1.00 31.52 C ATOM 441 C ALA A 29 2.601 -9.675 5.008 1.00 52.23 C ATOM 442 O ALA A 29 2.175 -8.892 4.164 1.00 1.03 O ATOM 443 CB ALA A 29 4.067 -11.162 3.601 1.00 13.03 C ATOM 0 H ALA A 29 4.661 -11.937 5.858 1.00 33.23 H new ATOM 0 HA ALA A 29 4.674 -9.395 4.672 1.00 31.52 H new ATOM 0 HB1 ALA A 29 3.701 -10.623 2.727 1.00 13.03 H new ATOM 0 HB2 ALA A 29 5.097 -11.476 3.429 1.00 13.03 H new ATOM 0 HB3 ALA A 29 3.444 -12.040 3.773 1.00 13.03 H new ATOM 449 N ASN A 30 1.885 -10.001 6.086 1.00 45.34 N ATOM 450 CA ASN A 30 0.579 -9.434 6.416 1.00 63.31 C ATOM 451 C ASN A 30 0.696 -8.442 7.577 1.00 35.15 C ATOM 452 O ASN A 30 -0.117 -7.520 7.692 1.00 33.14 O ATOM 453 CB ASN A 30 -0.412 -10.559 6.748 1.00 61.23 C ATOM 454 CG ASN A 30 -0.961 -11.214 5.489 1.00 22.33 C ATOM 455 OD1 ASN A 30 -1.966 -10.755 4.953 1.00 22.50 O ATOM 456 ND2 ASN A 30 -0.326 -12.258 4.985 1.00 65.54 N ATOM 0 H ASN A 30 2.207 -10.685 6.771 1.00 45.34 H new ATOM 0 HA ASN A 30 0.204 -8.887 5.551 1.00 63.31 H new ATOM 0 HB2 ASN A 30 0.083 -11.310 7.363 1.00 61.23 H new ATOM 0 HB3 ASN A 30 -1.236 -10.156 7.338 1.00 61.23 H new ATOM 0 HD21 ASN A 30 -0.669 -12.701 4.132 1.00 65.54 H new ATOM 0 HD22 ASN A 30 0.507 -12.621 5.449 1.00 65.54 H new ATOM 463 N ALA A 31 1.710 -8.588 8.432 1.00 63.14 N ATOM 464 CA ALA A 31 2.018 -7.688 9.528 1.00 3.04 C ATOM 465 C ALA A 31 2.469 -6.334 8.982 1.00 73.33 C ATOM 466 O ALA A 31 1.949 -5.309 9.432 1.00 60.51 O ATOM 467 CB ALA A 31 3.101 -8.305 10.419 1.00 33.20 C ATOM 0 H ALA A 31 2.361 -9.371 8.371 1.00 63.14 H new ATOM 0 HA ALA A 31 1.123 -7.533 10.130 1.00 3.04 H new ATOM 0 HB1 ALA A 31 3.328 -7.625 11.240 1.00 33.20 H new ATOM 0 HB2 ALA A 31 2.744 -9.253 10.821 1.00 33.20 H new ATOM 0 HB3 ALA A 31 4.002 -8.477 9.830 1.00 33.20 H new ATOM 473 N TYR A 32 3.383 -6.342 8.002 1.00 13.14 N ATOM 474 CA TYR A 32 3.951 -5.152 7.365 1.00 45.31 C ATOM 475 C TYR A 32 2.852 -4.254 6.798 1.00 34.42 C ATOM 476 O TYR A 32 2.901 -3.028 6.924 1.00 43.34 O ATOM 477 CB TYR A 32 4.941 -5.596 6.271 1.00 52.53 C ATOM 478 CG TYR A 32 5.572 -4.460 5.470 1.00 33.14 C ATOM 479 CD1 TYR A 32 6.690 -3.767 5.971 1.00 24.40 C ATOM 480 CD2 TYR A 32 5.034 -4.072 4.228 1.00 33.43 C ATOM 481 CE1 TYR A 32 7.257 -2.696 5.260 1.00 0.52 C ATOM 482 CE2 TYR A 32 5.588 -2.992 3.518 1.00 24.25 C ATOM 483 CZ TYR A 32 6.697 -2.287 4.035 1.00 33.41 C ATOM 484 OH TYR A 32 7.171 -1.187 3.386 1.00 34.31 O ATOM 0 H TYR A 32 3.759 -7.210 7.619 1.00 13.14 H new ATOM 0 HA TYR A 32 4.486 -4.561 8.109 1.00 45.31 H new ATOM 0 HB2 TYR A 32 5.737 -6.177 6.737 1.00 52.53 H new ATOM 0 HB3 TYR A 32 4.422 -6.262 5.581 1.00 52.53 H new ATOM 0 HD1 TYR A 32 7.119 -4.063 6.917 1.00 24.40 H new ATOM 0 HD2 TYR A 32 4.190 -4.607 3.818 1.00 33.43 H new ATOM 0 HE1 TYR A 32 8.124 -2.186 5.654 1.00 0.52 H new ATOM 0 HE2 TYR A 32 5.162 -2.699 2.570 1.00 24.25 H new ATOM 0 HH TYR A 32 7.845 -0.744 3.942 1.00 34.31 H new ATOM 494 N ALA A 33 1.811 -4.857 6.216 1.00 72.53 N ATOM 495 CA ALA A 33 0.715 -4.109 5.631 1.00 43.02 C ATOM 496 C ALA A 33 0.049 -3.190 6.657 1.00 62.31 C ATOM 497 O ALA A 33 -0.371 -2.087 6.315 1.00 3.03 O ATOM 498 CB ALA A 33 -0.323 -5.055 5.020 1.00 1.34 C ATOM 0 H ALA A 33 1.712 -5.870 6.142 1.00 72.53 H new ATOM 0 HA ALA A 33 1.133 -3.485 4.841 1.00 43.02 H new ATOM 0 HB1 ALA A 33 -1.136 -4.472 4.587 1.00 1.34 H new ATOM 0 HB2 ALA A 33 0.147 -5.657 4.242 1.00 1.34 H new ATOM 0 HB3 ALA A 33 -0.719 -5.710 5.796 1.00 1.34 H new ATOM 504 N ALA A 34 -0.068 -3.614 7.920 1.00 5.54 N ATOM 505 CA ALA A 34 -0.739 -2.787 8.917 1.00 3.41 C ATOM 506 C ALA A 34 0.021 -1.482 9.158 1.00 64.13 C ATOM 507 O ALA A 34 -0.618 -0.453 9.370 1.00 43.55 O ATOM 508 CB ALA A 34 -0.908 -3.552 10.221 1.00 32.20 C ATOM 0 H ALA A 34 0.286 -4.506 8.267 1.00 5.54 H new ATOM 0 HA ALA A 34 -1.726 -2.534 8.530 1.00 3.41 H new ATOM 0 HB1 ALA A 34 -1.410 -2.918 10.952 1.00 32.20 H new ATOM 0 HB2 ALA A 34 -1.506 -4.446 10.044 1.00 32.20 H new ATOM 0 HB3 ALA A 34 0.071 -3.841 10.603 1.00 32.20 H new ATOM 514 N GLU A 35 1.353 -1.507 9.071 1.00 40.24 N ATOM 515 CA GLU A 35 2.173 -0.307 9.161 1.00 0.02 C ATOM 516 C GLU A 35 1.824 0.594 7.979 1.00 43.02 C ATOM 517 O GLU A 35 1.339 1.699 8.178 1.00 54.01 O ATOM 518 CB GLU A 35 3.673 -0.655 9.219 1.00 60.45 C ATOM 519 CG GLU A 35 3.992 -1.480 10.473 1.00 13.13 C ATOM 520 CD GLU A 35 5.463 -1.871 10.606 1.00 0.40 C ATOM 521 OE1 GLU A 35 5.947 -2.711 9.815 1.00 20.43 O ATOM 522 OE2 GLU A 35 6.132 -1.420 11.568 1.00 63.13 O ATOM 0 H GLU A 35 1.890 -2.364 8.936 1.00 40.24 H new ATOM 0 HA GLU A 35 1.962 0.227 10.088 1.00 0.02 H new ATOM 0 HB2 GLU A 35 3.956 -1.215 8.328 1.00 60.45 H new ATOM 0 HB3 GLU A 35 4.264 0.261 9.221 1.00 60.45 H new ATOM 0 HG2 GLU A 35 3.698 -0.910 11.354 1.00 13.13 H new ATOM 0 HG3 GLU A 35 3.386 -2.386 10.462 1.00 13.13 H new ATOM 529 N VAL A 36 1.956 0.095 6.748 1.00 72.51 N ATOM 530 CA VAL A 36 1.755 0.859 5.517 1.00 44.33 C ATOM 531 C VAL A 36 0.334 1.467 5.429 1.00 44.33 C ATOM 532 O VAL A 36 0.134 2.472 4.735 1.00 11.43 O ATOM 533 CB VAL A 36 2.048 -0.092 4.335 1.00 1.00 C ATOM 534 CG1 VAL A 36 1.596 0.437 2.964 1.00 63.33 C ATOM 535 CG2 VAL A 36 3.540 -0.433 4.236 1.00 54.24 C ATOM 0 H VAL A 36 2.212 -0.877 6.576 1.00 72.51 H new ATOM 0 HA VAL A 36 2.432 1.713 5.494 1.00 44.33 H new ATOM 0 HB VAL A 36 1.459 -0.980 4.565 1.00 1.00 H new ATOM 0 HG11 VAL A 36 1.841 -0.294 2.193 1.00 63.33 H new ATOM 0 HG12 VAL A 36 0.519 0.605 2.976 1.00 63.33 H new ATOM 0 HG13 VAL A 36 2.107 1.375 2.750 1.00 63.33 H new ATOM 0 HG21 VAL A 36 3.705 -1.104 3.393 1.00 54.24 H new ATOM 0 HG22 VAL A 36 4.113 0.482 4.089 1.00 54.24 H new ATOM 0 HG23 VAL A 36 3.864 -0.920 5.156 1.00 54.24 H new ATOM 545 N VAL A 37 -0.668 0.854 6.072 1.00 43.24 N ATOM 546 CA VAL A 37 -2.058 1.323 6.092 1.00 15.53 C ATOM 547 C VAL A 37 -2.211 2.584 6.934 1.00 34.22 C ATOM 548 O VAL A 37 -3.103 3.388 6.693 1.00 73.12 O ATOM 549 CB VAL A 37 -2.972 0.194 6.609 1.00 21.55 C ATOM 550 CG1 VAL A 37 -4.422 0.588 6.939 1.00 23.35 C ATOM 551 CG2 VAL A 37 -3.052 -0.890 5.542 1.00 3.34 C ATOM 0 H VAL A 37 -0.530 -0.004 6.606 1.00 43.24 H new ATOM 0 HA VAL A 37 -2.354 1.584 5.076 1.00 15.53 H new ATOM 0 HB VAL A 37 -2.513 -0.122 7.546 1.00 21.55 H new ATOM 0 HG11 VAL A 37 -4.966 -0.288 7.292 1.00 23.35 H new ATOM 0 HG12 VAL A 37 -4.423 1.353 7.715 1.00 23.35 H new ATOM 0 HG13 VAL A 37 -4.906 0.978 6.044 1.00 23.35 H new ATOM 0 HG21 VAL A 37 -3.695 -1.698 5.891 1.00 3.34 H new ATOM 0 HG22 VAL A 37 -3.464 -0.468 4.625 1.00 3.34 H new ATOM 0 HG23 VAL A 37 -2.054 -1.281 5.345 1.00 3.34 H new ATOM 704 N ASP A 48 3.492 10.984 2.862 1.00 31.20 N ATOM 705 CA ASP A 48 4.021 10.163 3.947 1.00 42.23 C ATOM 706 C ASP A 48 3.965 8.684 3.579 1.00 40.54 C ATOM 707 O ASP A 48 4.930 7.960 3.800 1.00 53.12 O ATOM 708 CB ASP A 48 3.245 10.427 5.238 1.00 60.24 C ATOM 709 CG ASP A 48 3.804 9.588 6.384 1.00 21.30 C ATOM 710 OD1 ASP A 48 4.845 9.992 6.954 1.00 14.21 O ATOM 711 OD2 ASP A 48 3.221 8.534 6.710 1.00 44.21 O ATOM 0 HA ASP A 48 5.065 10.433 4.109 1.00 42.23 H new ATOM 0 HB2 ASP A 48 3.303 11.485 5.493 1.00 60.24 H new ATOM 0 HB3 ASP A 48 2.191 10.192 5.089 1.00 60.24 H new ATOM 716 N VAL A 49 2.885 8.262 2.913 1.00 74.13 N ATOM 717 CA VAL A 49 2.740 6.911 2.391 1.00 11.43 C ATOM 718 C VAL A 49 3.905 6.574 1.463 1.00 54.02 C ATOM 719 O VAL A 49 4.500 5.502 1.610 1.00 2.20 O ATOM 720 CB VAL A 49 1.392 6.774 1.632 1.00 74.11 C ATOM 721 CG1 VAL A 49 1.246 5.390 0.991 1.00 22.42 C ATOM 722 CG2 VAL A 49 0.126 7.030 2.465 1.00 2.41 C ATOM 0 H VAL A 49 2.081 8.860 2.722 1.00 74.13 H new ATOM 0 HA VAL A 49 2.746 6.210 3.226 1.00 11.43 H new ATOM 0 HB VAL A 49 1.454 7.565 0.885 1.00 74.11 H new ATOM 0 HG11 VAL A 49 0.291 5.330 0.469 1.00 22.42 H new ATOM 0 HG12 VAL A 49 2.058 5.230 0.282 1.00 22.42 H new ATOM 0 HG13 VAL A 49 1.284 4.624 1.766 1.00 22.42 H new ATOM 0 HG21 VAL A 49 -0.755 6.907 1.835 1.00 2.41 H new ATOM 0 HG22 VAL A 49 0.084 6.319 3.291 1.00 2.41 H new ATOM 0 HG23 VAL A 49 0.150 8.045 2.861 1.00 2.41 H new ATOM 732 N MET A 50 4.189 7.435 0.478 1.00 34.15 N ATOM 733 CA MET A 50 5.246 7.170 -0.479 1.00 42.13 C ATOM 734 C MET A 50 6.592 7.160 0.234 1.00 71.55 C ATOM 735 O MET A 50 7.347 6.210 0.039 1.00 44.32 O ATOM 736 CB MET A 50 5.254 8.167 -1.641 1.00 1.33 C ATOM 737 CG MET A 50 4.016 8.172 -2.546 1.00 24.11 C ATOM 738 SD MET A 50 3.851 6.859 -3.796 1.00 31.50 S ATOM 739 CE MET A 50 3.121 5.521 -2.825 1.00 32.53 C ATOM 0 H MET A 50 3.697 8.317 0.331 1.00 34.15 H new ATOM 0 HA MET A 50 5.056 6.190 -0.916 1.00 42.13 H new ATOM 0 HB2 MET A 50 5.381 9.169 -1.230 1.00 1.33 H new ATOM 0 HB3 MET A 50 6.128 7.963 -2.260 1.00 1.33 H new ATOM 0 HG2 MET A 50 3.136 8.132 -1.904 1.00 24.11 H new ATOM 0 HG3 MET A 50 3.988 9.130 -3.065 1.00 24.11 H new ATOM 0 HE1 MET A 50 2.659 4.796 -3.495 1.00 32.53 H new ATOM 0 HE2 MET A 50 3.898 5.030 -2.239 1.00 32.53 H new ATOM 0 HE3 MET A 50 2.365 5.929 -2.154 1.00 32.53 H new ATOM 749 N ARG A 51 6.903 8.154 1.071 1.00 61.22 N ATOM 750 CA ARG A 51 8.155 8.199 1.794 1.00 44.34 C ATOM 751 C ARG A 51 8.314 6.941 2.644 1.00 13.05 C ATOM 752 O ARG A 51 9.387 6.347 2.604 1.00 23.40 O ATOM 753 CB ARG A 51 8.211 9.516 2.588 1.00 5.33 C ATOM 754 CG ARG A 51 9.255 9.421 3.699 1.00 33.11 C ATOM 755 CD ARG A 51 9.856 10.768 4.113 1.00 52.41 C ATOM 756 NE ARG A 51 10.986 10.598 5.040 1.00 35.54 N ATOM 757 CZ ARG A 51 10.902 10.197 6.317 1.00 0.12 C ATOM 758 NH1 ARG A 51 9.719 9.982 6.890 1.00 0.24 N ATOM 759 NH2 ARG A 51 12.013 9.994 7.019 1.00 32.34 N ATOM 0 H ARG A 51 6.287 8.945 1.259 1.00 61.22 H new ATOM 0 HA ARG A 51 9.010 8.198 1.118 1.00 44.34 H new ATOM 0 HB2 ARG A 51 8.455 10.341 1.920 1.00 5.33 H new ATOM 0 HB3 ARG A 51 7.232 9.732 3.017 1.00 5.33 H new ATOM 0 HG2 ARG A 51 8.798 8.956 4.573 1.00 33.11 H new ATOM 0 HG3 ARG A 51 10.059 8.762 3.371 1.00 33.11 H new ATOM 0 HD2 ARG A 51 10.191 11.305 3.226 1.00 52.41 H new ATOM 0 HD3 ARG A 51 9.087 11.380 4.585 1.00 52.41 H new ATOM 0 HE ARG A 51 11.917 10.804 4.679 1.00 35.54 H new ATOM 0 HH11 ARG A 51 8.861 10.122 6.357 1.00 0.24 H new ATOM 0 HH12 ARG A 51 9.671 9.677 7.862 1.00 0.24 H new ATOM 0 HH21 ARG A 51 12.924 10.143 6.586 1.00 32.34 H new ATOM 0 HH22 ARG A 51 11.954 9.689 7.991 1.00 32.34 H new ATOM 773 N LYS A 52 7.281 6.506 3.377 1.00 43.31 N ATOM 774 CA LYS A 52 7.360 5.318 4.221 1.00 73.12 C ATOM 775 C LYS A 52 7.846 4.131 3.406 1.00 12.55 C ATOM 776 O LYS A 52 8.868 3.526 3.719 1.00 73.51 O ATOM 777 CB LYS A 52 6.029 5.032 4.935 1.00 52.43 C ATOM 778 CG LYS A 52 6.146 3.843 5.911 1.00 65.34 C ATOM 779 CD LYS A 52 5.631 2.502 5.368 1.00 34.52 C ATOM 780 CE LYS A 52 5.580 1.473 6.505 1.00 45.31 C ATOM 781 NZ LYS A 52 6.892 0.844 6.754 1.00 11.23 N ATOM 0 H LYS A 52 6.372 6.969 3.398 1.00 43.31 H new ATOM 0 HA LYS A 52 8.089 5.504 5.010 1.00 73.12 H new ATOM 0 HB2 LYS A 52 5.711 5.920 5.481 1.00 52.43 H new ATOM 0 HB3 LYS A 52 5.258 4.820 4.195 1.00 52.43 H new ATOM 0 HG2 LYS A 52 7.192 3.726 6.193 1.00 65.34 H new ATOM 0 HG3 LYS A 52 5.596 4.084 6.821 1.00 65.34 H new ATOM 0 HD2 LYS A 52 4.639 2.630 4.935 1.00 34.52 H new ATOM 0 HD3 LYS A 52 6.283 2.146 4.571 1.00 34.52 H new ATOM 0 HE2 LYS A 52 5.235 1.960 7.417 1.00 45.31 H new ATOM 0 HE3 LYS A 52 4.851 0.701 6.260 1.00 45.31 H new ATOM 0 HZ1 LYS A 52 7.001 0.659 7.772 1.00 11.23 H new ATOM 0 HZ2 LYS A 52 6.952 -0.053 6.230 1.00 11.23 H new ATOM 0 HZ3 LYS A 52 7.649 1.482 6.436 1.00 11.23 H new ATOM 795 N VAL A 53 7.101 3.782 2.364 1.00 54.43 N ATOM 796 CA VAL A 53 7.320 2.554 1.627 1.00 62.54 C ATOM 797 C VAL A 53 8.595 2.637 0.785 1.00 5.14 C ATOM 798 O VAL A 53 9.207 1.605 0.495 1.00 75.21 O ATOM 799 CB VAL A 53 6.041 2.283 0.812 1.00 21.51 C ATOM 800 CG1 VAL A 53 5.869 3.228 -0.388 1.00 32.33 C ATOM 801 CG2 VAL A 53 5.919 0.827 0.406 1.00 0.44 C ATOM 0 H VAL A 53 6.329 4.346 2.010 1.00 54.43 H new ATOM 0 HA VAL A 53 7.493 1.708 2.292 1.00 62.54 H new ATOM 0 HB VAL A 53 5.213 2.503 1.486 1.00 21.51 H new ATOM 0 HG11 VAL A 53 4.948 2.981 -0.917 1.00 32.33 H new ATOM 0 HG12 VAL A 53 5.820 4.258 -0.036 1.00 32.33 H new ATOM 0 HG13 VAL A 53 6.717 3.116 -1.064 1.00 32.33 H new ATOM 0 HG21 VAL A 53 5.002 0.684 -0.166 1.00 0.44 H new ATOM 0 HG22 VAL A 53 6.776 0.547 -0.206 1.00 0.44 H new ATOM 0 HG23 VAL A 53 5.891 0.202 1.298 1.00 0.44 H new ATOM 811 N LEU A 54 8.996 3.842 0.373 1.00 42.12 N ATOM 812 CA LEU A 54 10.207 4.066 -0.395 1.00 42.21 C ATOM 813 C LEU A 54 11.432 3.957 0.505 1.00 0.44 C ATOM 814 O LEU A 54 12.392 3.282 0.139 1.00 51.04 O ATOM 815 CB LEU A 54 10.168 5.443 -1.070 1.00 24.21 C ATOM 816 CG LEU A 54 9.320 5.507 -2.353 1.00 21.24 C ATOM 817 CD1 LEU A 54 9.164 6.970 -2.764 1.00 42.22 C ATOM 818 CD2 LEU A 54 9.964 4.736 -3.514 1.00 45.11 C ATOM 0 H LEU A 54 8.476 4.697 0.570 1.00 42.12 H new ATOM 0 HA LEU A 54 10.271 3.301 -1.169 1.00 42.21 H new ATOM 0 HB2 LEU A 54 9.780 6.171 -0.358 1.00 24.21 H new ATOM 0 HB3 LEU A 54 11.188 5.744 -1.309 1.00 24.21 H new ATOM 0 HG LEU A 54 8.355 5.047 -2.140 1.00 21.24 H new ATOM 0 HD11 LEU A 54 8.565 7.031 -3.672 1.00 42.22 H new ATOM 0 HD12 LEU A 54 8.669 7.522 -1.965 1.00 42.22 H new ATOM 0 HD13 LEU A 54 10.147 7.403 -2.948 1.00 42.22 H new ATOM 0 HD21 LEU A 54 9.329 4.810 -4.397 1.00 45.11 H new ATOM 0 HD22 LEU A 54 10.943 5.161 -3.734 1.00 45.11 H new ATOM 0 HD23 LEU A 54 10.078 3.688 -3.236 1.00 45.11 H new ATOM 830 N GLY A 55 11.399 4.581 1.683 1.00 25.35 N ATOM 831 CA GLY A 55 12.473 4.492 2.657 1.00 11.24 C ATOM 832 C GLY A 55 12.647 3.046 3.105 1.00 14.10 C ATOM 833 O GLY A 55 13.761 2.532 3.123 1.00 65.11 O ATOM 0 H GLY A 55 10.619 5.165 1.984 1.00 25.35 H new ATOM 0 HA2 GLY A 55 13.402 4.862 2.222 1.00 11.24 H new ATOM 0 HA3 GLY A 55 12.250 5.124 3.517 1.00 11.24 H new ATOM 837 N ASP A 56 11.545 2.352 3.417 1.00 71.43 N ATOM 838 CA ASP A 56 11.576 0.933 3.788 1.00 63.15 C ATOM 839 C ASP A 56 11.994 0.036 2.602 1.00 53.45 C ATOM 840 O ASP A 56 12.210 -1.160 2.801 1.00 12.22 O ATOM 841 CB ASP A 56 10.209 0.484 4.354 1.00 73.13 C ATOM 842 CG ASP A 56 10.026 0.717 5.857 1.00 51.31 C ATOM 843 OD1 ASP A 56 10.381 -0.176 6.660 1.00 43.41 O ATOM 844 OD2 ASP A 56 9.409 1.744 6.230 1.00 71.32 O ATOM 0 H ASP A 56 10.609 2.758 3.419 1.00 71.43 H new ATOM 0 HA ASP A 56 12.331 0.819 4.566 1.00 63.15 H new ATOM 0 HB2 ASP A 56 9.420 1.013 3.820 1.00 73.13 H new ATOM 0 HB3 ASP A 56 10.077 -0.578 4.147 1.00 73.13 H new ATOM 849 N LEU A 57 12.066 0.528 1.350 1.00 34.30 N ATOM 850 CA LEU A 57 12.670 -0.237 0.246 1.00 23.30 C ATOM 851 C LEU A 57 14.191 -0.113 0.234 1.00 1.14 C ATOM 852 O LEU A 57 14.825 -0.976 -0.355 1.00 60.13 O ATOM 853 CB LEU A 57 12.176 0.197 -1.152 1.00 51.04 C ATOM 854 CG LEU A 57 10.914 -0.488 -1.697 1.00 0.01 C ATOM 855 CD1 LEU A 57 10.613 0.150 -3.062 1.00 12.03 C ATOM 856 CD2 LEU A 57 11.025 -1.993 -1.953 1.00 45.24 C ATOM 0 H LEU A 57 11.715 1.447 1.080 1.00 34.30 H new ATOM 0 HA LEU A 57 12.359 -1.264 0.436 1.00 23.30 H new ATOM 0 HB2 LEU A 57 11.992 1.271 -1.126 1.00 51.04 H new ATOM 0 HB3 LEU A 57 12.985 0.029 -1.863 1.00 51.04 H new ATOM 0 HG LEU A 57 10.150 -0.355 -0.931 1.00 0.01 H new ATOM 0 HD11 LEU A 57 9.721 -0.308 -3.489 1.00 12.03 H new ATOM 0 HD12 LEU A 57 10.447 1.220 -2.935 1.00 12.03 H new ATOM 0 HD13 LEU A 57 11.458 -0.009 -3.732 1.00 12.03 H new ATOM 0 HD21 LEU A 57 10.076 -2.368 -2.336 1.00 45.24 H new ATOM 0 HD22 LEU A 57 11.811 -2.181 -2.685 1.00 45.24 H new ATOM 0 HD23 LEU A 57 11.268 -2.504 -1.021 1.00 45.24 H new ATOM 868 N ASP A 58 14.790 0.941 0.795 1.00 61.24 N ATOM 869 CA ASP A 58 16.251 1.140 0.816 1.00 51.33 C ATOM 870 C ASP A 58 16.869 1.121 -0.596 1.00 62.52 C ATOM 871 O ASP A 58 18.035 0.777 -0.784 1.00 3.03 O ATOM 872 CB ASP A 58 16.866 0.093 1.754 1.00 64.14 C ATOM 873 CG ASP A 58 18.363 0.238 2.016 1.00 73.23 C ATOM 874 OD1 ASP A 58 18.853 1.352 2.297 1.00 1.35 O ATOM 875 OD2 ASP A 58 18.995 -0.839 2.159 1.00 32.44 O ATOM 0 H ASP A 58 14.273 1.691 1.254 1.00 61.24 H new ATOM 0 HA ASP A 58 16.478 2.135 1.199 1.00 51.33 H new ATOM 0 HB2 ASP A 58 16.343 0.136 2.709 1.00 64.14 H new ATOM 0 HB3 ASP A 58 16.683 -0.896 1.334 1.00 64.14 H new ATOM 880 N GLY A 59 16.077 1.466 -1.617 1.00 53.31 N ATOM 881 CA GLY A 59 16.477 1.401 -3.018 1.00 5.43 C ATOM 882 C GLY A 59 16.367 -0.009 -3.606 1.00 65.33 C ATOM 883 O GLY A 59 17.199 -0.398 -4.431 1.00 52.34 O ATOM 0 H GLY A 59 15.124 1.804 -1.485 1.00 53.31 H new ATOM 0 HA2 GLY A 59 15.855 2.081 -3.600 1.00 5.43 H new ATOM 0 HA3 GLY A 59 17.505 1.749 -3.113 1.00 5.43 H new ATOM 887 N LYS A 60 15.385 -0.810 -3.173 1.00 0.13 N ATOM 888 CA LYS A 60 15.156 -2.150 -3.703 1.00 12.41 C ATOM 889 C LYS A 60 14.434 -2.187 -5.057 1.00 12.14 C ATOM 890 O LYS A 60 14.572 -3.205 -5.740 1.00 33.13 O ATOM 891 CB LYS A 60 14.389 -2.980 -2.676 1.00 52.25 C ATOM 892 CG LYS A 60 15.303 -3.825 -1.779 1.00 72.14 C ATOM 893 CD LYS A 60 14.522 -4.792 -0.875 1.00 64.41 C ATOM 894 CE LYS A 60 15.206 -6.165 -0.819 1.00 21.43 C ATOM 895 NZ LYS A 60 14.931 -6.968 -2.029 1.00 20.40 N ATOM 0 H LYS A 60 14.727 -0.541 -2.442 1.00 0.13 H new ATOM 0 HA LYS A 60 16.143 -2.574 -3.889 1.00 12.41 H new ATOM 0 HB2 LYS A 60 13.793 -2.314 -2.052 1.00 52.25 H new ATOM 0 HB3 LYS A 60 13.693 -3.637 -3.196 1.00 52.25 H new ATOM 0 HG2 LYS A 60 15.991 -4.395 -2.403 1.00 72.14 H new ATOM 0 HG3 LYS A 60 15.908 -3.164 -1.159 1.00 72.14 H new ATOM 0 HD2 LYS A 60 14.449 -4.377 0.130 1.00 64.41 H new ATOM 0 HD3 LYS A 60 13.504 -4.904 -1.249 1.00 64.41 H new ATOM 0 HE2 LYS A 60 16.282 -6.030 -0.710 1.00 21.43 H new ATOM 0 HE3 LYS A 60 14.861 -6.706 0.062 1.00 21.43 H new ATOM 0 HZ1 LYS A 60 15.397 -7.894 -1.944 1.00 20.40 H new ATOM 0 HZ2 LYS A 60 13.905 -7.104 -2.129 1.00 20.40 H new ATOM 0 HZ3 LYS A 60 15.298 -6.471 -2.866 1.00 20.40 H new ATOM 909 N ARG A 61 13.616 -1.187 -5.419 1.00 54.04 N ATOM 910 CA ARG A 61 12.841 -1.123 -6.670 1.00 34.50 C ATOM 911 C ARG A 61 12.573 0.352 -7.011 1.00 32.10 C ATOM 912 O ARG A 61 12.333 1.132 -6.088 1.00 14.00 O ATOM 913 CB ARG A 61 11.477 -1.842 -6.546 1.00 25.20 C ATOM 914 CG ARG A 61 11.496 -3.378 -6.545 1.00 5.14 C ATOM 915 CD ARG A 61 12.001 -4.008 -7.848 1.00 33.45 C ATOM 916 NE ARG A 61 11.776 -5.466 -7.851 1.00 12.22 N ATOM 917 CZ ARG A 61 11.632 -6.258 -8.919 1.00 62.35 C ATOM 918 NH1 ARG A 61 11.836 -5.795 -10.149 1.00 13.53 N ATOM 919 NH2 ARG A 61 11.278 -7.528 -8.756 1.00 44.23 N ATOM 0 H ARG A 61 13.470 -0.369 -4.827 1.00 54.04 H new ATOM 0 HA ARG A 61 13.423 -1.618 -7.447 1.00 34.50 H new ATOM 0 HB2 ARG A 61 11.001 -1.509 -5.624 1.00 25.20 H new ATOM 0 HB3 ARG A 61 10.844 -1.512 -7.369 1.00 25.20 H new ATOM 0 HG2 ARG A 61 12.125 -3.720 -5.723 1.00 5.14 H new ATOM 0 HG3 ARG A 61 10.487 -3.741 -6.348 1.00 5.14 H new ATOM 0 HD2 ARG A 61 11.489 -3.556 -8.697 1.00 33.45 H new ATOM 0 HD3 ARG A 61 13.064 -3.800 -7.969 1.00 33.45 H new ATOM 0 HE ARG A 61 11.725 -5.920 -6.939 1.00 12.22 H new ATOM 0 HH11 ARG A 61 12.107 -4.822 -10.289 1.00 13.53 H new ATOM 0 HH12 ARG A 61 11.722 -6.413 -10.952 1.00 13.53 H new ATOM 0 HH21 ARG A 61 11.117 -7.896 -7.819 1.00 44.23 H new ATOM 0 HH22 ARG A 61 11.167 -8.135 -9.568 1.00 44.23 H new ATOM 933 N PRO A 62 12.523 0.722 -8.306 1.00 74.31 N ATOM 934 CA PRO A 62 12.462 2.111 -8.753 1.00 14.12 C ATOM 935 C PRO A 62 11.170 2.787 -8.327 1.00 4.34 C ATOM 936 O PRO A 62 10.108 2.160 -8.344 1.00 42.13 O ATOM 937 CB PRO A 62 12.538 2.078 -10.284 1.00 34.41 C ATOM 938 CG PRO A 62 12.175 0.647 -10.663 1.00 42.41 C ATOM 939 CD PRO A 62 12.552 -0.180 -9.444 1.00 2.21 C ATOM 0 HA PRO A 62 13.280 2.679 -8.309 1.00 14.12 H new ATOM 0 HB2 PRO A 62 11.846 2.793 -10.730 1.00 34.41 H new ATOM 0 HB3 PRO A 62 13.536 2.339 -10.636 1.00 34.41 H new ATOM 0 HG2 PRO A 62 11.113 0.555 -10.892 1.00 42.41 H new ATOM 0 HG3 PRO A 62 12.721 0.321 -11.548 1.00 42.41 H new ATOM 0 HD2 PRO A 62 11.852 -1.004 -9.303 1.00 2.21 H new ATOM 0 HD3 PRO A 62 13.542 -0.620 -9.565 1.00 2.21 H new ATOM 947 N GLU A 63 11.242 4.099 -8.078 1.00 12.43 N ATOM 948 CA GLU A 63 10.077 4.904 -7.738 1.00 44.22 C ATOM 949 C GLU A 63 8.973 4.710 -8.777 1.00 62.51 C ATOM 950 O GLU A 63 7.826 4.517 -8.384 1.00 72.35 O ATOM 951 CB GLU A 63 10.444 6.392 -7.570 1.00 75.34 C ATOM 952 CG GLU A 63 9.173 7.195 -7.231 1.00 54.02 C ATOM 953 CD GLU A 63 9.382 8.678 -6.928 1.00 75.21 C ATOM 954 OE1 GLU A 63 9.706 9.442 -7.863 1.00 2.00 O ATOM 955 OE2 GLU A 63 9.078 9.086 -5.782 1.00 75.31 O ATOM 0 H GLU A 63 12.114 4.628 -8.108 1.00 12.43 H new ATOM 0 HA GLU A 63 9.699 4.562 -6.775 1.00 44.22 H new ATOM 0 HB2 GLU A 63 11.184 6.509 -6.778 1.00 75.34 H new ATOM 0 HB3 GLU A 63 10.895 6.773 -8.486 1.00 75.34 H new ATOM 0 HG2 GLU A 63 8.479 7.109 -8.067 1.00 54.02 H new ATOM 0 HG3 GLU A 63 8.693 6.732 -6.369 1.00 54.02 H new ATOM 962 N ALA A 64 9.285 4.715 -10.078 1.00 1.00 N ATOM 963 CA ALA A 64 8.237 4.620 -11.089 1.00 61.42 C ATOM 964 C ALA A 64 7.423 3.332 -10.945 1.00 55.33 C ATOM 965 O ALA A 64 6.200 3.369 -11.126 1.00 25.50 O ATOM 966 CB ALA A 64 8.825 4.704 -12.501 1.00 22.50 C ATOM 0 H ALA A 64 10.234 4.782 -10.446 1.00 1.00 H new ATOM 0 HA ALA A 64 7.568 5.466 -10.931 1.00 61.42 H new ATOM 0 HB1 ALA A 64 8.022 4.631 -13.234 1.00 22.50 H new ATOM 0 HB2 ALA A 64 9.343 5.655 -12.624 1.00 22.50 H new ATOM 0 HB3 ALA A 64 9.529 3.886 -12.651 1.00 22.50 H new ATOM 972 N GLU A 65 8.061 2.197 -10.633 1.00 52.43 N ATOM 973 CA GLU A 65 7.361 0.940 -10.432 1.00 41.41 C ATOM 974 C GLU A 65 6.457 1.026 -9.197 1.00 65.35 C ATOM 975 O GLU A 65 5.330 0.526 -9.232 1.00 73.22 O ATOM 976 CB GLU A 65 8.396 -0.188 -10.323 1.00 51.25 C ATOM 977 CG GLU A 65 7.720 -1.557 -10.226 1.00 51.31 C ATOM 978 CD GLU A 65 8.658 -2.720 -10.570 1.00 53.44 C ATOM 979 OE1 GLU A 65 9.887 -2.614 -10.370 1.00 5.21 O ATOM 980 OE2 GLU A 65 8.173 -3.776 -11.057 1.00 31.24 O ATOM 0 H GLU A 65 9.072 2.133 -10.515 1.00 52.43 H new ATOM 0 HA GLU A 65 6.710 0.726 -11.280 1.00 41.41 H new ATOM 0 HB2 GLU A 65 9.054 -0.166 -11.192 1.00 51.25 H new ATOM 0 HB3 GLU A 65 9.022 -0.026 -9.445 1.00 51.25 H new ATOM 0 HG2 GLU A 65 7.337 -1.695 -9.215 1.00 51.31 H new ATOM 0 HG3 GLU A 65 6.862 -1.580 -10.898 1.00 51.31 H new ATOM 987 N VAL A 66 6.938 1.675 -8.132 1.00 33.53 N ATOM 988 CA VAL A 66 6.229 1.903 -6.876 1.00 23.51 C ATOM 989 C VAL A 66 4.996 2.785 -7.128 1.00 64.41 C ATOM 990 O VAL A 66 3.894 2.399 -6.727 1.00 73.43 O ATOM 991 CB VAL A 66 7.196 2.511 -5.827 1.00 3.32 C ATOM 992 CG1 VAL A 66 6.521 2.735 -4.468 1.00 42.32 C ATOM 993 CG2 VAL A 66 8.424 1.623 -5.559 1.00 42.11 C ATOM 0 H VAL A 66 7.877 2.073 -8.125 1.00 33.53 H new ATOM 0 HA VAL A 66 5.871 0.957 -6.470 1.00 23.51 H new ATOM 0 HB VAL A 66 7.502 3.459 -6.269 1.00 3.32 H new ATOM 0 HG11 VAL A 66 7.241 3.162 -3.770 1.00 42.32 H new ATOM 0 HG12 VAL A 66 5.681 3.420 -4.587 1.00 42.32 H new ATOM 0 HG13 VAL A 66 6.160 1.783 -4.080 1.00 42.32 H new ATOM 0 HG21 VAL A 66 9.063 2.101 -4.817 1.00 42.11 H new ATOM 0 HG22 VAL A 66 8.097 0.653 -5.185 1.00 42.11 H new ATOM 0 HG23 VAL A 66 8.983 1.486 -6.485 1.00 42.11 H new ATOM 1003 N ARG A 67 5.140 3.948 -7.787 1.00 20.14 N ATOM 1004 CA ARG A 67 3.997 4.835 -8.030 1.00 54.22 C ATOM 1005 C ARG A 67 2.979 4.101 -8.897 1.00 40.01 C ATOM 1006 O ARG A 67 1.797 4.135 -8.572 1.00 61.42 O ATOM 1007 CB ARG A 67 4.332 6.208 -8.672 1.00 20.30 C ATOM 1008 CG ARG A 67 5.740 6.799 -8.488 1.00 53.12 C ATOM 1009 CD ARG A 67 5.787 8.341 -8.524 1.00 5.25 C ATOM 1010 NE ARG A 67 5.577 8.982 -7.212 1.00 54.32 N ATOM 1011 CZ ARG A 67 5.104 10.215 -6.959 1.00 31.32 C ATOM 1012 NH1 ARG A 67 4.658 11.008 -7.927 1.00 2.43 N ATOM 1013 NH2 ARG A 67 5.084 10.642 -5.703 1.00 20.12 N ATOM 0 H ARG A 67 6.027 4.290 -8.156 1.00 20.14 H new ATOM 0 HA ARG A 67 3.601 5.078 -7.044 1.00 54.22 H new ATOM 0 HB2 ARG A 67 4.150 6.122 -9.743 1.00 20.30 H new ATOM 0 HB3 ARG A 67 3.618 6.934 -8.284 1.00 20.30 H new ATOM 0 HG2 ARG A 67 6.144 6.456 -7.536 1.00 53.12 H new ATOM 0 HG3 ARG A 67 6.391 6.408 -9.270 1.00 53.12 H new ATOM 0 HD2 ARG A 67 6.753 8.655 -8.919 1.00 5.25 H new ATOM 0 HD3 ARG A 67 5.027 8.701 -9.218 1.00 5.25 H new ATOM 0 HE ARG A 67 5.821 8.421 -6.396 1.00 54.32 H new ATOM 0 HH11 ARG A 67 4.668 10.687 -8.895 1.00 2.43 H new ATOM 0 HH12 ARG A 67 4.305 11.938 -7.702 1.00 2.43 H new ATOM 0 HH21 ARG A 67 5.423 10.039 -4.954 1.00 20.12 H new ATOM 0 HH22 ARG A 67 4.730 11.574 -5.487 1.00 20.12 H new ATOM 1027 N ALA A 68 3.434 3.421 -9.961 1.00 51.42 N ATOM 1028 CA ALA A 68 2.561 2.675 -10.868 1.00 40.05 C ATOM 1029 C ALA A 68 1.702 1.676 -10.095 1.00 34.32 C ATOM 1030 O ALA A 68 0.482 1.683 -10.253 1.00 53.04 O ATOM 1031 CB ALA A 68 3.370 1.966 -11.961 1.00 41.54 C ATOM 0 H ALA A 68 4.421 3.376 -10.213 1.00 51.42 H new ATOM 0 HA ALA A 68 1.898 3.390 -11.355 1.00 40.05 H new ATOM 0 HB1 ALA A 68 2.693 1.421 -12.619 1.00 41.54 H new ATOM 0 HB2 ALA A 68 3.923 2.705 -12.541 1.00 41.54 H new ATOM 0 HB3 ALA A 68 4.070 1.268 -11.501 1.00 41.54 H new ATOM 1037 N LYS A 69 2.319 0.856 -9.230 1.00 14.42 N ATOM 1038 CA LYS A 69 1.646 -0.015 -8.293 1.00 21.50 C ATOM 1039 C LYS A 69 0.509 0.709 -7.588 1.00 13.23 C ATOM 1040 O LYS A 69 -0.638 0.281 -7.689 1.00 14.25 O ATOM 1041 CB LYS A 69 2.713 -0.523 -7.301 1.00 1.21 C ATOM 1042 CG LYS A 69 2.557 -1.992 -6.959 1.00 3.11 C ATOM 1043 CD LYS A 69 2.801 -2.921 -8.146 1.00 40.04 C ATOM 1044 CE LYS A 69 4.135 -2.816 -8.894 1.00 42.54 C ATOM 1045 NZ LYS A 69 4.085 -1.919 -10.069 1.00 0.53 N ATOM 0 H LYS A 69 3.335 0.789 -9.173 1.00 14.42 H new ATOM 0 HA LYS A 69 1.185 -0.858 -8.808 1.00 21.50 H new ATOM 0 HB2 LYS A 69 3.703 -0.358 -7.726 1.00 1.21 H new ATOM 0 HB3 LYS A 69 2.658 0.065 -6.385 1.00 1.21 H new ATOM 0 HG2 LYS A 69 3.252 -2.247 -6.159 1.00 3.11 H new ATOM 0 HG3 LYS A 69 1.552 -2.163 -6.574 1.00 3.11 H new ATOM 0 HD2 LYS A 69 2.700 -3.947 -7.791 1.00 40.04 H new ATOM 0 HD3 LYS A 69 2.002 -2.753 -8.868 1.00 40.04 H new ATOM 0 HE2 LYS A 69 4.901 -2.458 -8.206 1.00 42.54 H new ATOM 0 HE3 LYS A 69 4.439 -3.811 -9.219 1.00 42.54 H new ATOM 0 HZ1 LYS A 69 4.617 -2.346 -10.854 1.00 0.53 H new ATOM 0 HZ2 LYS A 69 3.096 -1.779 -10.357 1.00 0.53 H new ATOM 0 HZ3 LYS A 69 4.507 -1.001 -9.823 1.00 0.53 H new ATOM 1059 N TYR A 70 0.839 1.781 -6.873 1.00 41.15 N ATOM 1060 CA TYR A 70 -0.050 2.424 -5.926 1.00 20.55 C ATOM 1061 C TYR A 70 -1.212 3.104 -6.641 1.00 65.22 C ATOM 1062 O TYR A 70 -2.375 2.893 -6.291 1.00 32.34 O ATOM 1063 CB TYR A 70 0.782 3.404 -5.099 1.00 44.03 C ATOM 1064 CG TYR A 70 0.024 4.033 -3.957 1.00 14.22 C ATOM 1065 CD1 TYR A 70 -0.355 3.252 -2.845 1.00 40.02 C ATOM 1066 CD2 TYR A 70 -0.291 5.405 -4.002 1.00 43.02 C ATOM 1067 CE1 TYR A 70 -1.041 3.853 -1.778 1.00 54.54 C ATOM 1068 CE2 TYR A 70 -0.975 6.004 -2.934 1.00 72.15 C ATOM 1069 CZ TYR A 70 -1.354 5.234 -1.816 1.00 22.54 C ATOM 1070 OH TYR A 70 -2.039 5.826 -0.804 1.00 72.15 O ATOM 0 H TYR A 70 1.752 2.232 -6.941 1.00 41.15 H new ATOM 0 HA TYR A 70 -0.502 1.688 -5.261 1.00 20.55 H new ATOM 0 HB2 TYR A 70 1.652 2.882 -4.701 1.00 44.03 H new ATOM 0 HB3 TYR A 70 1.155 4.192 -5.753 1.00 44.03 H new ATOM 0 HD1 TYR A 70 -0.119 2.199 -2.815 1.00 40.02 H new ATOM 0 HD2 TYR A 70 -0.006 5.996 -4.860 1.00 43.02 H new ATOM 0 HE1 TYR A 70 -1.332 3.260 -0.924 1.00 54.54 H new ATOM 0 HE2 TYR A 70 -1.212 7.057 -2.968 1.00 72.15 H new ATOM 0 HH TYR A 70 -1.959 5.282 0.007 1.00 72.15 H new ATOM 1080 N GLU A 71 -0.908 3.889 -7.672 1.00 55.14 N ATOM 1081 CA GLU A 71 -1.882 4.588 -8.495 1.00 44.14 C ATOM 1082 C GLU A 71 -2.824 3.576 -9.140 1.00 52.23 C ATOM 1083 O GLU A 71 -4.046 3.728 -9.056 1.00 11.53 O ATOM 1084 CB GLU A 71 -1.158 5.408 -9.572 1.00 1.14 C ATOM 1085 CG GLU A 71 -0.350 6.588 -9.006 1.00 73.22 C ATOM 1086 CD GLU A 71 -1.185 7.825 -8.664 1.00 34.23 C ATOM 1087 OE1 GLU A 71 -2.418 7.740 -8.456 1.00 24.23 O ATOM 1088 OE2 GLU A 71 -0.573 8.917 -8.582 1.00 4.32 O ATOM 0 H GLU A 71 0.054 4.059 -7.964 1.00 55.14 H new ATOM 0 HA GLU A 71 -2.465 5.267 -7.873 1.00 44.14 H new ATOM 0 HB2 GLU A 71 -0.487 4.752 -10.127 1.00 1.14 H new ATOM 0 HB3 GLU A 71 -1.892 5.788 -10.282 1.00 1.14 H new ATOM 0 HG2 GLU A 71 0.171 6.257 -8.107 1.00 73.22 H new ATOM 0 HG3 GLU A 71 0.413 6.870 -9.731 1.00 73.22 H new ATOM 1095 N GLY A 72 -2.282 2.531 -9.776 1.00 13.52 N ATOM 1096 CA GLY A 72 -3.075 1.515 -10.452 1.00 61.24 C ATOM 1097 C GLY A 72 -3.949 0.722 -9.483 1.00 1.14 C ATOM 1098 O GLY A 72 -4.913 0.077 -9.903 1.00 40.24 O ATOM 0 H GLY A 72 -1.276 2.372 -9.833 1.00 13.52 H new ATOM 0 HA2 GLY A 72 -3.707 1.990 -11.202 1.00 61.24 H new ATOM 0 HA3 GLY A 72 -2.411 0.832 -10.981 1.00 61.24 H new ATOM 1102 N LEU A 73 -3.629 0.742 -8.187 1.00 34.11 N ATOM 1103 CA LEU A 73 -4.297 -0.074 -7.192 1.00 13.02 C ATOM 1104 C LEU A 73 -5.657 0.446 -6.779 1.00 44.21 C ATOM 1105 O LEU A 73 -6.352 -0.298 -6.097 1.00 43.01 O ATOM 1106 CB LEU A 73 -3.430 -0.223 -5.931 1.00 71.41 C ATOM 1107 CG LEU A 73 -3.293 -1.673 -5.441 1.00 13.54 C ATOM 1108 CD1 LEU A 73 -2.706 -2.608 -6.508 1.00 34.54 C ATOM 1109 CD2 LEU A 73 -2.346 -1.636 -4.245 1.00 43.25 C ATOM 0 H LEU A 73 -2.891 1.333 -7.804 1.00 34.11 H new ATOM 0 HA LEU A 73 -4.447 -1.039 -7.677 1.00 13.02 H new ATOM 0 HB2 LEU A 73 -2.437 0.177 -6.135 1.00 71.41 H new ATOM 0 HB3 LEU A 73 -3.860 0.382 -5.132 1.00 71.41 H new ATOM 0 HG LEU A 73 -4.281 -2.061 -5.192 1.00 13.54 H new ATOM 0 HD11 LEU A 73 -2.632 -3.618 -6.106 1.00 34.54 H new ATOM 0 HD12 LEU A 73 -3.354 -2.613 -7.384 1.00 34.54 H new ATOM 0 HD13 LEU A 73 -1.714 -2.258 -6.793 1.00 34.54 H new ATOM 0 HD21 LEU A 73 -2.212 -2.645 -3.855 1.00 43.25 H new ATOM 0 HD22 LEU A 73 -1.381 -1.237 -4.557 1.00 43.25 H new ATOM 0 HD23 LEU A 73 -2.767 -0.999 -3.467 1.00 43.25 H new ATOM 1121 N MET A 74 -6.073 1.664 -7.132 1.00 3.03 N ATOM 1122 CA MET A 74 -7.365 2.159 -6.660 1.00 53.23 C ATOM 1123 C MET A 74 -8.499 1.258 -7.166 1.00 33.52 C ATOM 1124 O MET A 74 -9.353 0.831 -6.383 1.00 34.40 O ATOM 1125 CB MET A 74 -7.540 3.636 -7.035 1.00 25.41 C ATOM 1126 CG MET A 74 -8.811 4.222 -6.409 1.00 21.10 C ATOM 1127 SD MET A 74 -8.729 6.003 -6.095 1.00 5.34 S ATOM 1128 CE MET A 74 -7.778 6.005 -4.548 1.00 2.03 C ATOM 0 H MET A 74 -5.551 2.309 -7.726 1.00 3.03 H new ATOM 0 HA MET A 74 -7.402 2.114 -5.572 1.00 53.23 H new ATOM 0 HB2 MET A 74 -6.672 4.204 -6.700 1.00 25.41 H new ATOM 0 HB3 MET A 74 -7.587 3.735 -8.119 1.00 25.41 H new ATOM 0 HG2 MET A 74 -9.655 4.019 -7.069 1.00 21.10 H new ATOM 0 HG3 MET A 74 -9.010 3.707 -5.469 1.00 21.10 H new ATOM 0 HE1 MET A 74 -7.289 6.971 -4.423 1.00 2.03 H new ATOM 0 HE2 MET A 74 -8.449 5.826 -3.708 1.00 2.03 H new ATOM 0 HE3 MET A 74 -7.024 5.219 -4.583 1.00 2.03 H new ATOM 1138 N ALA A 75 -8.463 0.878 -8.445 1.00 51.44 N ATOM 1139 CA ALA A 75 -9.487 0.019 -9.027 1.00 11.43 C ATOM 1140 C ALA A 75 -9.318 -1.443 -8.593 1.00 2.31 C ATOM 1141 O ALA A 75 -10.271 -2.221 -8.682 1.00 35.20 O ATOM 1142 CB ALA A 75 -9.458 0.137 -10.553 1.00 13.45 C ATOM 0 H ALA A 75 -7.730 1.155 -9.098 1.00 51.44 H new ATOM 0 HA ALA A 75 -10.457 0.353 -8.660 1.00 11.43 H new ATOM 0 HB1 ALA A 75 -10.225 -0.507 -10.982 1.00 13.45 H new ATOM 0 HB2 ALA A 75 -9.649 1.171 -10.842 1.00 13.45 H new ATOM 0 HB3 ALA A 75 -8.479 -0.168 -10.923 1.00 13.45 H new ATOM 1148 N VAL A 76 -8.123 -1.849 -8.151 1.00 3.12 N ATOM 1149 CA VAL A 76 -7.884 -3.181 -7.595 1.00 42.14 C ATOM 1150 C VAL A 76 -8.495 -3.224 -6.204 1.00 35.40 C ATOM 1151 O VAL A 76 -9.302 -4.101 -5.917 1.00 22.53 O ATOM 1152 CB VAL A 76 -6.379 -3.519 -7.552 1.00 34.51 C ATOM 1153 CG1 VAL A 76 -6.146 -4.930 -7.007 1.00 53.44 C ATOM 1154 CG2 VAL A 76 -5.765 -3.451 -8.953 1.00 2.34 C ATOM 0 H VAL A 76 -7.292 -1.258 -8.170 1.00 3.12 H new ATOM 0 HA VAL A 76 -8.349 -3.933 -8.233 1.00 42.14 H new ATOM 0 HB VAL A 76 -5.908 -2.785 -6.898 1.00 34.51 H new ATOM 0 HG11 VAL A 76 -5.077 -5.141 -6.988 1.00 53.44 H new ATOM 0 HG12 VAL A 76 -6.548 -5.001 -5.996 1.00 53.44 H new ATOM 0 HG13 VAL A 76 -6.647 -5.655 -7.648 1.00 53.44 H new ATOM 0 HG21 VAL A 76 -4.704 -3.693 -8.897 1.00 2.34 H new ATOM 0 HG22 VAL A 76 -6.266 -4.166 -9.605 1.00 2.34 H new ATOM 0 HG23 VAL A 76 -5.887 -2.445 -9.355 1.00 2.34 H new ATOM 1164 N ALA A 77 -8.137 -2.257 -5.359 1.00 12.01 N ATOM 1165 CA ALA A 77 -8.538 -2.136 -3.975 1.00 73.51 C ATOM 1166 C ALA A 77 -10.036 -2.316 -3.856 1.00 43.11 C ATOM 1167 O ALA A 77 -10.487 -3.164 -3.100 1.00 64.21 O ATOM 1168 CB ALA A 77 -8.104 -0.774 -3.437 1.00 34.23 C ATOM 0 H ALA A 77 -7.522 -1.496 -5.649 1.00 12.01 H new ATOM 0 HA ALA A 77 -8.055 -2.913 -3.382 1.00 73.51 H new ATOM 0 HB1 ALA A 77 -8.406 -0.682 -2.394 1.00 34.23 H new ATOM 0 HB2 ALA A 77 -7.020 -0.682 -3.511 1.00 34.23 H new ATOM 0 HB3 ALA A 77 -8.576 0.015 -4.022 1.00 34.23 H new ATOM 1174 N LYS A 78 -10.799 -1.553 -4.636 1.00 73.42 N ATOM 1175 CA LYS A 78 -12.248 -1.638 -4.627 1.00 13.30 C ATOM 1176 C LYS A 78 -12.749 -3.029 -4.994 1.00 3.44 C ATOM 1177 O LYS A 78 -13.583 -3.546 -4.258 1.00 2.55 O ATOM 1178 CB LYS A 78 -12.823 -0.562 -5.550 1.00 31.33 C ATOM 1179 CG LYS A 78 -12.618 0.837 -4.945 1.00 51.14 C ATOM 1180 CD LYS A 78 -13.287 1.916 -5.797 1.00 1.01 C ATOM 1181 CE LYS A 78 -14.806 1.849 -5.617 1.00 14.21 C ATOM 1182 NZ LYS A 78 -15.512 2.667 -6.616 1.00 62.44 N ATOM 0 H LYS A 78 -10.427 -0.862 -5.288 1.00 73.42 H new ATOM 0 HA LYS A 78 -12.599 -1.457 -3.611 1.00 13.30 H new ATOM 0 HB2 LYS A 78 -12.340 -0.616 -6.526 1.00 31.33 H new ATOM 0 HB3 LYS A 78 -13.886 -0.743 -5.710 1.00 31.33 H new ATOM 0 HG2 LYS A 78 -13.028 0.862 -3.935 1.00 51.14 H new ATOM 0 HG3 LYS A 78 -11.552 1.046 -4.861 1.00 51.14 H new ATOM 0 HD2 LYS A 78 -12.920 2.901 -5.508 1.00 1.01 H new ATOM 0 HD3 LYS A 78 -13.029 1.776 -6.847 1.00 1.01 H new ATOM 0 HE2 LYS A 78 -15.136 0.813 -5.697 1.00 14.21 H new ATOM 0 HE3 LYS A 78 -15.069 2.191 -4.616 1.00 14.21 H new ATOM 0 HZ1 LYS A 78 -16.538 2.595 -6.461 1.00 62.44 H new ATOM 0 HZ2 LYS A 78 -15.216 3.660 -6.524 1.00 62.44 H new ATOM 0 HZ3 LYS A 78 -15.282 2.325 -7.571 1.00 62.44 H new ATOM 1196 N ALA A 79 -12.252 -3.640 -6.074 1.00 65.22 N ATOM 1197 CA ALA A 79 -12.661 -4.993 -6.444 1.00 51.01 C ATOM 1198 C ALA A 79 -12.345 -5.979 -5.317 1.00 51.34 C ATOM 1199 O ALA A 79 -13.163 -6.840 -5.008 1.00 20.53 O ATOM 1200 CB ALA A 79 -11.966 -5.437 -7.738 1.00 35.23 C ATOM 0 H ALA A 79 -11.569 -3.219 -6.703 1.00 65.22 H new ATOM 0 HA ALA A 79 -13.738 -4.984 -6.612 1.00 51.01 H new ATOM 0 HB1 ALA A 79 -12.285 -6.447 -7.994 1.00 35.23 H new ATOM 0 HB2 ALA A 79 -12.233 -4.756 -8.546 1.00 35.23 H new ATOM 0 HB3 ALA A 79 -10.886 -5.424 -7.594 1.00 35.23 H new