USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 722 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 25 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.154) USER MOD Set 1.2: A 35 GLN : amide:sc= -6.62! C(o=-6.6!,f=-9.9!) USER MOD Single : A 8 MET CE :methyl 162:sc= -6.78! (180deg=-8.31!) USER MOD Single : A 15 GLN : amide:sc= -3.39! C(o=-3.4!,f=-11!) USER MOD Single : A 17 ASN : amide:sc= -0.648 K(o=-0.65,f=-2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.3) USER MOD Single : A 20 THR OG1 : rot -18:sc= 0.232! USER MOD Single : A 28 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.14) USER MOD Single : A 29 LYS NZ :NH3+ -107:sc= -0.311 (180deg=-0.651) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= -0.0582 (180deg=-0.46) USER MOD Single : A 57 ASN : amide:sc= -13.7! C(o=-14!,f=-14!) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.18 F(o=-2.1,f=-1.2) USER MOD Single : A 62 THR OG1 : rot -52:sc= 0.729 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-3.6!) USER MOD Single : A 66 GLN : amide:sc= -3.9! C(o=-3.9!,f=-8.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -170:sc= -1.32 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.0743 X(o=0.074,f=-0.016) USER MOD Single : A 83 CYS SG : rot 73:sc= 0.995 USER MOD Single : A 85 MET CE :methyl -117:sc= -10.6! (180deg=-14.6!) USER MOD Single : A 86 ASN : amide:sc= -0.0384 K(o=-0.038,f=-1.9!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 90:sc= -3.5! USER MOD Single : A 111 MET CE :methyl -116:sc= -0.537 (180deg=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 97.997 -0.929 -13.141 1.00 0.00 N ATOM 90 CA ARG A 7 96.620 -1.104 -12.600 1.00 0.00 C ATOM 91 C ARG A 7 96.640 -0.957 -11.077 1.00 0.00 C ATOM 92 O ARG A 7 97.685 -0.846 -10.464 1.00 0.00 O ATOM 93 CB ARG A 7 96.105 -2.497 -12.971 1.00 0.00 C ATOM 94 CG ARG A 7 94.706 -2.380 -13.579 1.00 0.00 C ATOM 95 CD ARG A 7 94.787 -1.628 -14.909 1.00 0.00 C ATOM 96 NE ARG A 7 95.223 -2.565 -15.983 1.00 0.00 N ATOM 97 CZ ARG A 7 95.118 -2.216 -17.238 1.00 0.00 C ATOM 98 NH1 ARG A 7 94.630 -1.048 -17.557 1.00 0.00 N ATOM 99 NH2 ARG A 7 95.501 -3.038 -18.176 1.00 0.00 N ATOM 0 HA ARG A 7 95.964 -0.344 -13.025 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.783 -2.970 -13.681 1.00 0.00 H new ATOM 0 HB3 ARG A 7 96.076 -3.133 -12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 7 94.282 -3.372 -13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 7 94.042 -1.855 -12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.816 -1.200 -15.157 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.489 -0.798 -14.828 1.00 0.00 H new ATOM 0 HE ARG A 7 95.604 -3.479 -15.738 1.00 0.00 H new ATOM 0 HH11 ARG A 7 94.329 -0.404 -16.826 1.00 0.00 H new ATOM 0 HH12 ARG A 7 94.550 -0.779 -18.538 1.00 0.00 H new ATOM 0 HH21 ARG A 7 95.882 -3.952 -17.929 1.00 0.00 H new ATOM 0 HH22 ARG A 7 95.420 -2.767 -19.156 1.00 0.00 H new ATOM 113 N MET A 8 95.490 -0.960 -10.460 1.00 0.00 N ATOM 114 CA MET A 8 95.435 -0.823 -8.980 1.00 0.00 C ATOM 115 C MET A 8 96.022 -2.080 -8.324 1.00 0.00 C ATOM 116 O MET A 8 96.614 -2.022 -7.264 1.00 0.00 O ATOM 117 CB MET A 8 93.978 -0.658 -8.543 1.00 0.00 C ATOM 118 CG MET A 8 93.918 -0.485 -7.025 1.00 0.00 C ATOM 119 SD MET A 8 93.437 -2.051 -6.254 1.00 0.00 S ATOM 120 CE MET A 8 93.463 -1.478 -4.538 1.00 0.00 C ATOM 0 H MET A 8 94.584 -1.052 -10.920 1.00 0.00 H new ATOM 0 HA MET A 8 96.013 0.049 -8.674 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.535 0.207 -9.036 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.396 -1.529 -8.844 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.889 -0.165 -6.647 1.00 0.00 H new ATOM 0 HG3 MET A 8 93.202 0.295 -6.766 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.899 -2.172 -3.914 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.494 -1.429 -4.186 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.012 -0.487 -4.478 1.00 0.00 H new ATOM 130 N ARG A 9 95.854 -3.217 -8.947 1.00 0.00 N ATOM 131 CA ARG A 9 96.386 -4.485 -8.364 1.00 0.00 C ATOM 132 C ARG A 9 97.903 -4.386 -8.160 1.00 0.00 C ATOM 133 O ARG A 9 98.385 -4.549 -7.056 1.00 0.00 O ATOM 134 CB ARG A 9 96.072 -5.649 -9.307 1.00 0.00 C ATOM 135 CG ARG A 9 94.859 -6.418 -8.778 1.00 0.00 C ATOM 136 CD ARG A 9 95.308 -7.389 -7.684 1.00 0.00 C ATOM 137 NE ARG A 9 96.436 -8.219 -8.191 1.00 0.00 N ATOM 138 CZ ARG A 9 96.203 -9.216 -9.003 1.00 0.00 C ATOM 139 NH1 ARG A 9 94.982 -9.489 -9.375 1.00 0.00 N ATOM 140 NH2 ARG A 9 97.196 -9.940 -9.447 1.00 0.00 N ATOM 0 H ARG A 9 95.369 -3.323 -9.838 1.00 0.00 H new ATOM 0 HA ARG A 9 95.912 -4.654 -7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.870 -5.274 -10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.933 -6.313 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.119 -5.723 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.379 -6.965 -9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 9 95.619 -6.836 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 9 94.477 -8.028 -7.386 1.00 0.00 H new ATOM 0 HE ARG A 9 97.392 -8.009 -7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 9 94.206 -8.923 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 9 94.804 -10.268 -10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 9 98.151 -9.727 -9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 9 97.016 -10.719 -10.081 1.00 0.00 H new ATOM 154 N PRO A 10 98.613 -4.122 -9.228 1.00 0.00 N ATOM 155 CA PRO A 10 100.079 -3.999 -9.187 1.00 0.00 C ATOM 156 C PRO A 10 100.494 -2.721 -8.454 1.00 0.00 C ATOM 157 O PRO A 10 101.535 -2.668 -7.831 1.00 0.00 O ATOM 158 CB PRO A 10 100.489 -3.978 -10.659 1.00 0.00 C ATOM 159 CG PRO A 10 99.236 -3.555 -11.447 1.00 0.00 C ATOM 160 CD PRO A 10 98.025 -3.911 -10.564 1.00 0.00 C ATOM 0 HA PRO A 10 100.563 -4.810 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.308 -3.278 -10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.838 -4.959 -10.980 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.257 -2.487 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.185 -4.075 -12.404 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.288 -3.108 -10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.517 -4.806 -10.923 1.00 0.00 H new ATOM 168 N TRP A 11 99.685 -1.700 -8.500 1.00 0.00 N ATOM 169 CA TRP A 11 100.038 -0.447 -7.776 1.00 0.00 C ATOM 170 C TRP A 11 100.096 -0.757 -6.277 1.00 0.00 C ATOM 171 O TRP A 11 100.969 -0.296 -5.560 1.00 0.00 O ATOM 172 CB TRP A 11 98.964 0.611 -8.041 1.00 0.00 C ATOM 173 CG TRP A 11 99.408 1.935 -7.506 1.00 0.00 C ATOM 174 CD1 TRP A 11 100.054 2.886 -8.221 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.247 2.476 -6.162 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.297 3.974 -7.402 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.820 3.770 -6.125 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.667 1.975 -4.983 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.816 4.540 -4.963 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.662 2.747 -3.809 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.235 4.026 -3.801 1.00 0.00 C ATOM 0 H TRP A 11 98.799 -1.678 -9.005 1.00 0.00 H new ATOM 0 HA TRP A 11 101.002 -0.070 -8.118 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.773 0.687 -9.111 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.026 0.315 -7.570 1.00 0.00 H new ATOM 0 HD1 TRP A 11 100.334 2.808 -9.261 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.772 4.824 -7.706 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.223 0.991 -4.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.258 5.525 -4.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.214 2.353 -2.909 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.227 4.615 -2.896 1.00 0.00 H new ATOM 192 N LEU A 12 99.173 -1.553 -5.804 1.00 0.00 N ATOM 193 CA LEU A 12 99.162 -1.915 -4.363 1.00 0.00 C ATOM 194 C LEU A 12 100.261 -2.940 -4.100 1.00 0.00 C ATOM 195 O LEU A 12 100.938 -2.894 -3.095 1.00 0.00 O ATOM 196 CB LEU A 12 97.801 -2.514 -3.999 1.00 0.00 C ATOM 197 CG LEU A 12 97.372 -2.007 -2.621 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.947 -0.541 -2.724 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.194 -2.843 -2.115 1.00 0.00 C ATOM 0 H LEU A 12 98.425 -1.968 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 12 99.337 -1.027 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.058 -2.237 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.860 -3.602 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 12 98.208 -2.095 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.642 -0.181 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.784 0.056 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.112 -0.452 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.887 -2.483 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.360 -2.755 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.495 -3.888 -2.040 1.00 0.00 H new ATOM 211 N GLU A 13 100.454 -3.863 -5.002 1.00 0.00 N ATOM 212 CA GLU A 13 101.523 -4.878 -4.800 1.00 0.00 C ATOM 213 C GLU A 13 102.859 -4.154 -4.627 1.00 0.00 C ATOM 214 O GLU A 13 103.706 -4.561 -3.854 1.00 0.00 O ATOM 215 CB GLU A 13 101.595 -5.801 -6.019 1.00 0.00 C ATOM 216 CG GLU A 13 102.650 -6.882 -5.782 1.00 0.00 C ATOM 217 CD GLU A 13 102.776 -7.755 -7.032 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.135 -7.437 -8.020 1.00 0.00 O ATOM 219 OE2 GLU A 13 103.513 -8.726 -6.980 1.00 0.00 O ATOM 0 H GLU A 13 99.920 -3.957 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 13 101.305 -5.475 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.623 -6.260 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.844 -5.225 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.610 -6.423 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.372 -7.494 -4.924 1.00 0.00 H new ATOM 226 N GLU A 14 103.049 -3.077 -5.338 1.00 0.00 N ATOM 227 CA GLU A 14 104.322 -2.315 -5.219 1.00 0.00 C ATOM 228 C GLU A 14 104.330 -1.543 -3.900 1.00 0.00 C ATOM 229 O GLU A 14 105.238 -1.670 -3.104 1.00 0.00 O ATOM 230 CB GLU A 14 104.441 -1.331 -6.385 1.00 0.00 C ATOM 231 CG GLU A 14 105.772 -1.553 -7.108 1.00 0.00 C ATOM 232 CD GLU A 14 105.816 -0.691 -8.371 1.00 0.00 C ATOM 233 OE1 GLU A 14 105.493 0.482 -8.274 1.00 0.00 O ATOM 234 OE2 GLU A 14 106.173 -1.216 -9.412 1.00 0.00 O ATOM 0 H GLU A 14 102.374 -2.691 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 14 105.163 -3.008 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.611 -1.470 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.381 -0.307 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.603 -1.296 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 14 105.885 -2.605 -7.369 1.00 0.00 H new ATOM 241 N GLN A 15 103.326 -0.744 -3.657 1.00 0.00 N ATOM 242 CA GLN A 15 103.292 0.027 -2.381 1.00 0.00 C ATOM 243 C GLN A 15 103.649 -0.903 -1.221 1.00 0.00 C ATOM 244 O GLN A 15 104.584 -0.664 -0.483 1.00 0.00 O ATOM 245 CB GLN A 15 101.887 0.592 -2.163 1.00 0.00 C ATOM 246 CG GLN A 15 101.623 1.714 -3.167 1.00 0.00 C ATOM 247 CD GLN A 15 102.808 2.680 -3.186 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.261 3.125 -2.149 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.333 3.027 -4.329 1.00 0.00 N ATOM 0 H GLN A 15 102.534 -0.592 -4.281 1.00 0.00 H new ATOM 0 HA GLN A 15 104.009 0.846 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.145 -0.197 -2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.790 0.971 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.467 1.296 -4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.711 2.248 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.953 2.654 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 15 104.123 3.671 -4.353 1.00 0.00 H new ATOM 258 N ILE A 16 102.907 -1.961 -1.056 1.00 0.00 N ATOM 259 CA ILE A 16 103.192 -2.914 0.054 1.00 0.00 C ATOM 260 C ILE A 16 104.622 -3.445 -0.076 1.00 0.00 C ATOM 261 O ILE A 16 105.422 -3.331 0.832 1.00 0.00 O ATOM 262 CB ILE A 16 102.211 -4.086 -0.019 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.777 -3.552 -0.022 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.413 -4.999 1.191 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.915 -4.408 -0.950 1.00 0.00 C ATOM 0 H ILE A 16 102.111 -2.209 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 16 103.081 -2.399 1.008 1.00 0.00 H new ATOM 0 HB ILE A 16 102.390 -4.652 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.369 -3.569 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.765 -2.513 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.714 -5.833 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.434 -5.381 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.235 -4.435 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.894 -4.027 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.319 -4.368 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.917 -5.440 -0.599 1.00 0.00 H new ATOM 277 N ASN A 17 104.947 -4.028 -1.197 1.00 0.00 N ATOM 278 CA ASN A 17 106.323 -4.571 -1.385 1.00 0.00 C ATOM 279 C ASN A 17 107.351 -3.555 -0.885 1.00 0.00 C ATOM 280 O ASN A 17 107.959 -3.729 0.151 1.00 0.00 O ATOM 281 CB ASN A 17 106.564 -4.846 -2.871 1.00 0.00 C ATOM 282 CG ASN A 17 106.314 -6.326 -3.162 1.00 0.00 C ATOM 283 OD1 ASN A 17 106.553 -7.172 -2.323 1.00 0.00 O ATOM 284 ND2 ASN A 17 105.840 -6.676 -4.326 1.00 0.00 N ATOM 0 H ASN A 17 104.319 -4.152 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 17 106.425 -5.497 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.902 -4.228 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.586 -4.579 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 17 105.670 -7.660 -4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 17 105.640 -5.965 -5.030 1.00 0.00 H new ATOM 291 N SER A 18 107.553 -2.500 -1.621 1.00 0.00 N ATOM 292 CA SER A 18 108.545 -1.470 -1.203 1.00 0.00 C ATOM 293 C SER A 18 108.231 -0.995 0.219 1.00 0.00 C ATOM 294 O SER A 18 109.085 -0.488 0.918 1.00 0.00 O ATOM 295 CB SER A 18 108.478 -0.283 -2.163 1.00 0.00 C ATOM 296 OG SER A 18 109.636 -0.280 -2.987 1.00 0.00 O ATOM 0 H SER A 18 107.072 -2.305 -2.499 1.00 0.00 H new ATOM 0 HA SER A 18 109.545 -1.903 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.580 -0.348 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 18 108.414 0.650 -1.603 1.00 0.00 H new ATOM 0 HG SER A 18 109.596 0.479 -3.605 1.00 0.00 H new ATOM 302 N ASN A 19 107.011 -1.156 0.653 1.00 0.00 N ATOM 303 CA ASN A 19 106.642 -0.714 2.027 1.00 0.00 C ATOM 304 C ASN A 19 106.612 0.817 2.081 1.00 0.00 C ATOM 305 O ASN A 19 107.542 1.450 2.539 1.00 0.00 O ATOM 306 CB ASN A 19 107.673 -1.243 3.028 1.00 0.00 C ATOM 307 CG ASN A 19 106.952 -1.853 4.232 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.967 -3.053 4.422 1.00 0.00 O ATOM 309 ND2 ASN A 19 106.314 -1.069 5.059 1.00 0.00 N ATOM 0 H ASN A 19 106.253 -1.575 0.114 1.00 0.00 H new ATOM 0 HA ASN A 19 105.657 -1.104 2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.306 -1.992 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.327 -0.434 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 19 105.828 -1.464 5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 19 106.301 -0.062 4.900 1.00 0.00 H new ATOM 316 N THR A 20 105.548 1.414 1.615 1.00 0.00 N ATOM 317 CA THR A 20 105.457 2.902 1.637 1.00 0.00 C ATOM 318 C THR A 20 104.905 3.364 2.986 1.00 0.00 C ATOM 319 O THR A 20 104.962 4.529 3.324 1.00 0.00 O ATOM 320 CB THR A 20 104.519 3.370 0.523 1.00 0.00 C ATOM 321 OG1 THR A 20 104.221 4.747 0.705 1.00 0.00 O ATOM 322 CG2 THR A 20 103.227 2.554 0.568 1.00 0.00 C ATOM 0 H THR A 20 104.738 0.936 1.220 1.00 0.00 H new ATOM 0 HA THR A 20 106.450 3.326 1.486 1.00 0.00 H new ATOM 0 HB THR A 20 105.001 3.228 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.430 5.008 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.558 2.887 -0.226 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.458 1.498 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.742 2.694 1.534 1.00 0.00 H new ATOM 330 N ILE A 21 104.367 2.461 3.758 1.00 0.00 N ATOM 331 CA ILE A 21 103.807 2.854 5.082 1.00 0.00 C ATOM 332 C ILE A 21 104.207 1.809 6.130 1.00 0.00 C ATOM 333 O ILE A 21 104.183 0.624 5.856 1.00 0.00 O ATOM 334 CB ILE A 21 102.279 2.919 4.998 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.855 3.406 3.607 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.749 3.879 6.063 1.00 0.00 C ATOM 337 CD1 ILE A 21 102.100 4.913 3.485 1.00 0.00 C ATOM 0 H ILE A 21 104.291 1.470 3.530 1.00 0.00 H new ATOM 0 HA ILE A 21 104.198 3.832 5.363 1.00 0.00 H new ATOM 0 HB ILE A 21 101.867 1.925 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.417 2.874 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.801 3.186 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.662 3.925 6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 21 102.043 3.525 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 21 102.164 4.873 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.797 5.252 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.518 5.439 4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 21 103.160 5.122 3.631 1.00 0.00 H new ATOM 349 N PRO A 22 104.548 2.276 7.305 1.00 0.00 N ATOM 350 CA PRO A 22 104.948 1.394 8.414 1.00 0.00 C ATOM 351 C PRO A 22 103.719 0.690 8.992 1.00 0.00 C ATOM 352 O PRO A 22 103.826 -0.189 9.823 1.00 0.00 O ATOM 353 CB PRO A 22 105.582 2.350 9.429 1.00 0.00 C ATOM 354 CG PRO A 22 105.023 3.756 9.108 1.00 0.00 C ATOM 355 CD PRO A 22 104.555 3.714 7.641 1.00 0.00 C ATOM 0 HA PRO A 22 105.635 0.602 8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 22 105.333 2.056 10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.669 2.336 9.350 1.00 0.00 H new ATOM 0 HG2 PRO A 22 104.196 4.006 9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.788 4.520 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.565 4.155 7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.230 4.272 6.991 1.00 0.00 H new ATOM 363 N GLY A 23 102.552 1.061 8.541 1.00 0.00 N ATOM 364 CA GLY A 23 101.313 0.409 9.043 1.00 0.00 C ATOM 365 C GLY A 23 100.740 -0.485 7.941 1.00 0.00 C ATOM 366 O GLY A 23 99.842 -1.269 8.168 1.00 0.00 O ATOM 0 H GLY A 23 102.405 1.791 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.532 -0.183 9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.582 1.163 9.334 1.00 0.00 H new ATOM 370 N LEU A 24 101.261 -0.373 6.746 1.00 0.00 N ATOM 371 CA LEU A 24 100.754 -1.215 5.628 1.00 0.00 C ATOM 372 C LEU A 24 101.911 -2.080 5.114 1.00 0.00 C ATOM 373 O LEU A 24 103.004 -1.598 4.897 1.00 0.00 O ATOM 374 CB LEU A 24 100.210 -0.291 4.515 1.00 0.00 C ATOM 375 CG LEU A 24 100.760 -0.694 3.140 1.00 0.00 C ATOM 376 CD1 LEU A 24 100.297 -2.111 2.797 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.248 0.279 2.075 1.00 0.00 C ATOM 0 H LEU A 24 102.016 0.267 6.499 1.00 0.00 H new ATOM 0 HA LEU A 24 99.946 -1.867 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.121 -0.336 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.484 0.742 4.730 1.00 0.00 H new ATOM 0 HG LEU A 24 101.849 -0.663 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.689 -2.395 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.664 -2.806 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 24 99.208 -2.142 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.640 -0.010 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.159 0.252 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.580 1.289 2.315 1.00 0.00 H new ATOM 389 N LYS A 25 101.685 -3.350 4.915 1.00 0.00 N ATOM 390 CA LYS A 25 102.800 -4.213 4.413 1.00 0.00 C ATOM 391 C LYS A 25 102.307 -5.631 4.110 1.00 0.00 C ATOM 392 O LYS A 25 101.225 -6.025 4.497 1.00 0.00 O ATOM 393 CB LYS A 25 103.916 -4.286 5.460 1.00 0.00 C ATOM 394 CG LYS A 25 103.346 -4.027 6.855 1.00 0.00 C ATOM 395 CD LYS A 25 102.136 -4.932 7.091 1.00 0.00 C ATOM 396 CE LYS A 25 102.122 -5.400 8.548 1.00 0.00 C ATOM 397 NZ LYS A 25 102.057 -4.217 9.452 1.00 0.00 N ATOM 0 H LYS A 25 100.796 -3.823 5.074 1.00 0.00 H new ATOM 0 HA LYS A 25 103.179 -3.768 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.391 -5.267 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.688 -3.551 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.108 -4.217 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.055 -2.981 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.216 -4.394 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.176 -5.792 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.266 -6.052 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.017 -5.985 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.777 -4.524 10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 102.991 -3.761 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.357 -3.539 9.087 1.00 0.00 H new ATOM 411 N TRP A 26 103.113 -6.398 3.418 1.00 0.00 N ATOM 412 CA TRP A 26 102.729 -7.798 3.078 1.00 0.00 C ATOM 413 C TRP A 26 102.949 -8.696 4.295 1.00 0.00 C ATOM 414 O TRP A 26 104.056 -9.118 4.562 1.00 0.00 O ATOM 415 CB TRP A 26 103.622 -8.319 1.944 1.00 0.00 C ATOM 416 CG TRP A 26 103.120 -7.848 0.618 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.817 -7.065 -0.234 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.849 -8.129 -0.034 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.047 -6.829 -1.359 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.825 -7.466 -1.283 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.723 -8.883 0.338 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.722 -7.546 -2.133 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.611 -8.969 -0.516 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.611 -8.301 -1.749 1.00 0.00 C ATOM 0 H TRP A 26 104.028 -6.109 3.072 1.00 0.00 H new ATOM 0 HA TRP A 26 101.682 -7.811 2.774 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.646 -7.976 2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.645 -9.409 1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.814 -6.685 -0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.346 -6.255 -2.147 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.713 -9.400 1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.727 -7.028 -3.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.751 -9.553 -0.221 1.00 0.00 H new ATOM 0 HH2 TRP A 26 98.753 -8.370 -2.401 1.00 0.00 H new ATOM 435 N LEU A 27 101.919 -9.022 5.024 1.00 0.00 N ATOM 436 CA LEU A 27 102.126 -9.925 6.189 1.00 0.00 C ATOM 437 C LEU A 27 102.809 -11.177 5.665 1.00 0.00 C ATOM 438 O LEU A 27 103.651 -11.773 6.306 1.00 0.00 O ATOM 439 CB LEU A 27 100.784 -10.315 6.807 1.00 0.00 C ATOM 440 CG LEU A 27 99.870 -9.097 6.874 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.640 -9.447 7.702 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.613 -7.933 7.531 1.00 0.00 C ATOM 0 H LEU A 27 100.961 -8.710 4.868 1.00 0.00 H new ATOM 0 HA LEU A 27 102.725 -9.427 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.315 -11.100 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.938 -10.720 7.807 1.00 0.00 H new ATOM 0 HG LEU A 27 99.569 -8.807 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 27 97.979 -8.582 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.112 -10.278 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 27 98.948 -9.732 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 99.958 -7.063 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 27 100.913 -8.216 8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.498 -7.689 6.944 1.00 0.00 H new ATOM 454 N ASN A 28 102.442 -11.561 4.477 1.00 0.00 N ATOM 455 CA ASN A 28 103.040 -12.757 3.841 1.00 0.00 C ATOM 456 C ASN A 28 102.878 -12.618 2.330 1.00 0.00 C ATOM 457 O ASN A 28 101.963 -13.161 1.739 1.00 0.00 O ATOM 458 CB ASN A 28 102.318 -14.017 4.326 1.00 0.00 C ATOM 459 CG ASN A 28 103.323 -14.946 5.007 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.348 -15.272 4.441 1.00 0.00 O ATOM 461 ND2 ASN A 28 103.073 -15.392 6.208 1.00 0.00 N ATOM 0 H ASN A 28 101.739 -11.085 3.912 1.00 0.00 H new ATOM 0 HA ASN A 28 104.095 -12.839 4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.523 -13.749 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.847 -14.526 3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 28 103.737 -16.013 6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 28 102.213 -15.119 6.685 1.00 0.00 H new ATOM 468 N LYS A 29 103.753 -11.883 1.695 1.00 0.00 N ATOM 469 CA LYS A 29 103.639 -11.714 0.223 1.00 0.00 C ATOM 470 C LYS A 29 103.726 -13.097 -0.421 1.00 0.00 C ATOM 471 O LYS A 29 103.278 -13.311 -1.529 1.00 0.00 O ATOM 472 CB LYS A 29 104.768 -10.807 -0.287 1.00 0.00 C ATOM 473 CG LYS A 29 104.823 -10.854 -1.817 1.00 0.00 C ATOM 474 CD LYS A 29 103.745 -9.935 -2.396 1.00 0.00 C ATOM 475 CE LYS A 29 102.531 -10.764 -2.817 1.00 0.00 C ATOM 476 NZ LYS A 29 102.805 -11.417 -4.128 1.00 0.00 N ATOM 0 H LYS A 29 104.536 -11.397 2.132 1.00 0.00 H new ATOM 0 HA LYS A 29 102.689 -11.246 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.603 -9.783 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.722 -11.130 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.807 -10.542 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 29 104.670 -11.875 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.451 -9.192 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.140 -9.390 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.313 -11.519 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 29 101.651 -10.126 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 102.254 -10.944 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 103.819 -11.343 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 102.533 -12.420 -4.080 1.00 0.00 H new ATOM 490 N GLU A 30 104.280 -14.048 0.284 1.00 0.00 N ATOM 491 CA GLU A 30 104.372 -15.425 -0.270 1.00 0.00 C ATOM 492 C GLU A 30 102.954 -15.940 -0.511 1.00 0.00 C ATOM 493 O GLU A 30 102.648 -16.495 -1.549 1.00 0.00 O ATOM 494 CB GLU A 30 105.089 -16.330 0.736 1.00 0.00 C ATOM 495 CG GLU A 30 104.907 -17.794 0.331 1.00 0.00 C ATOM 496 CD GLU A 30 106.181 -18.574 0.660 1.00 0.00 C ATOM 497 OE1 GLU A 30 106.638 -18.475 1.787 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.679 -19.256 -0.220 1.00 0.00 O ATOM 0 H GLU A 30 104.672 -13.928 1.218 1.00 0.00 H new ATOM 0 HA GLU A 30 104.932 -15.423 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.150 -16.082 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.689 -16.167 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.057 -18.226 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.690 -17.864 -0.735 1.00 0.00 H new ATOM 505 N LYS A 31 102.080 -15.739 0.439 1.00 0.00 N ATOM 506 CA LYS A 31 100.669 -16.188 0.270 1.00 0.00 C ATOM 507 C LYS A 31 99.825 -15.003 -0.210 1.00 0.00 C ATOM 508 O LYS A 31 98.628 -15.115 -0.392 1.00 0.00 O ATOM 509 CB LYS A 31 100.126 -16.701 1.605 1.00 0.00 C ATOM 510 CG LYS A 31 100.622 -18.129 1.846 1.00 0.00 C ATOM 511 CD LYS A 31 99.476 -19.116 1.618 1.00 0.00 C ATOM 512 CE LYS A 31 98.775 -19.405 2.947 1.00 0.00 C ATOM 513 NZ LYS A 31 98.606 -20.876 3.113 1.00 0.00 N ATOM 0 H LYS A 31 102.284 -15.282 1.327 1.00 0.00 H new ATOM 0 HA LYS A 31 100.624 -16.994 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.452 -16.050 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.036 -16.680 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 31 101.450 -18.356 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.002 -18.226 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 31 98.765 -18.704 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.860 -20.042 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 31 99.359 -19.000 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 31 97.803 -18.912 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 98.129 -21.071 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 98.031 -21.250 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 99.539 -21.335 3.108 1.00 0.00 H new ATOM 527 N LYS A 32 100.449 -13.870 -0.424 1.00 0.00 N ATOM 528 CA LYS A 32 99.712 -12.667 -0.908 1.00 0.00 C ATOM 529 C LYS A 32 98.778 -12.117 0.176 1.00 0.00 C ATOM 530 O LYS A 32 97.601 -11.928 -0.049 1.00 0.00 O ATOM 531 CB LYS A 32 98.896 -13.030 -2.152 1.00 0.00 C ATOM 532 CG LYS A 32 99.669 -12.614 -3.405 1.00 0.00 C ATOM 533 CD LYS A 32 99.567 -11.099 -3.590 1.00 0.00 C ATOM 534 CE LYS A 32 98.142 -10.731 -4.006 1.00 0.00 C ATOM 535 NZ LYS A 32 97.889 -11.217 -5.393 1.00 0.00 N ATOM 0 H LYS A 32 101.449 -13.729 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 32 100.442 -11.896 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.699 -14.102 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 32 97.928 -12.529 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.714 -12.910 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.267 -13.125 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 32 99.829 -10.590 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 32 100.276 -10.766 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 32 97.424 -11.175 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 32 98.005 -9.651 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 97.119 -10.663 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 98.752 -11.107 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 97.619 -12.221 -5.365 1.00 0.00 H new ATOM 549 N ILE A 33 99.297 -11.826 1.341 1.00 0.00 N ATOM 550 CA ILE A 33 98.427 -11.250 2.415 1.00 0.00 C ATOM 551 C ILE A 33 98.969 -9.877 2.805 1.00 0.00 C ATOM 552 O ILE A 33 100.095 -9.748 3.243 1.00 0.00 O ATOM 553 CB ILE A 33 98.422 -12.148 3.650 1.00 0.00 C ATOM 554 CG1 ILE A 33 97.679 -13.446 3.338 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.706 -11.416 4.788 1.00 0.00 C ATOM 556 CD1 ILE A 33 98.572 -14.360 2.500 1.00 0.00 C ATOM 0 H ILE A 33 100.276 -11.960 1.596 1.00 0.00 H new ATOM 0 HA ILE A 33 97.408 -11.170 2.036 1.00 0.00 H new ATOM 0 HB ILE A 33 99.446 -12.381 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.396 -13.947 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 33 96.757 -13.228 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.695 -12.047 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.230 -10.486 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.682 -11.193 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.040 -15.285 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 33 98.832 -13.859 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.482 -14.589 3.055 1.00 0.00 H new ATOM 568 N PHE A 34 98.188 -8.844 2.648 1.00 0.00 N ATOM 569 CA PHE A 34 98.692 -7.491 3.004 1.00 0.00 C ATOM 570 C PHE A 34 97.775 -6.819 4.028 1.00 0.00 C ATOM 571 O PHE A 34 96.574 -6.742 3.854 1.00 0.00 O ATOM 572 CB PHE A 34 98.762 -6.627 1.740 1.00 0.00 C ATOM 573 CG PHE A 34 97.369 -6.217 1.315 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.770 -5.086 1.884 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.682 -6.960 0.347 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.484 -4.700 1.486 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.397 -6.573 -0.051 1.00 0.00 C ATOM 578 CZ PHE A 34 94.798 -5.443 0.519 1.00 0.00 C ATOM 0 H PHE A 34 97.233 -8.878 2.292 1.00 0.00 H new ATOM 0 HA PHE A 34 99.684 -7.594 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.369 -5.741 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.248 -7.182 0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.300 -4.512 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.144 -7.832 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.022 -3.829 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 34 94.868 -7.146 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.806 -5.145 0.212 1.00 0.00 H new ATOM 588 N GLN A 35 98.345 -6.306 5.086 1.00 0.00 N ATOM 589 CA GLN A 35 97.528 -5.607 6.113 1.00 0.00 C ATOM 590 C GLN A 35 97.762 -4.108 5.967 1.00 0.00 C ATOM 591 O GLN A 35 98.886 -3.646 5.907 1.00 0.00 O ATOM 592 CB GLN A 35 97.943 -6.058 7.518 1.00 0.00 C ATOM 593 CG GLN A 35 97.386 -5.087 8.565 1.00 0.00 C ATOM 594 CD GLN A 35 98.015 -5.391 9.927 1.00 0.00 C ATOM 595 OE1 GLN A 35 97.624 -6.327 10.594 1.00 0.00 O ATOM 596 NE2 GLN A 35 98.981 -4.632 10.369 1.00 0.00 N ATOM 0 H GLN A 35 99.345 -6.343 5.281 1.00 0.00 H new ATOM 0 HA GLN A 35 96.474 -5.844 5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 35 97.573 -7.065 7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 35 99.030 -6.099 7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 35 97.601 -4.059 8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 35 96.302 -5.181 8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.309 -3.846 9.808 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.408 -4.825 11.275 1.00 0.00 H new ATOM 605 N ILE A 36 96.713 -3.346 5.909 1.00 0.00 N ATOM 606 CA ILE A 36 96.865 -1.871 5.768 1.00 0.00 C ATOM 607 C ILE A 36 96.455 -1.245 7.103 1.00 0.00 C ATOM 608 O ILE A 36 95.692 -1.843 7.814 1.00 0.00 O ATOM 609 CB ILE A 36 95.926 -1.409 4.642 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.548 -1.742 3.289 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.672 0.096 4.717 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.494 -1.547 2.198 1.00 0.00 C ATOM 0 H ILE A 36 95.750 -3.679 5.953 1.00 0.00 H new ATOM 0 HA ILE A 36 97.886 -1.579 5.524 1.00 0.00 H new ATOM 0 HB ILE A 36 94.975 -1.929 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.408 -1.100 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.911 -2.770 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 36 95.005 0.393 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 36 95.212 0.340 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.618 0.630 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.928 -1.782 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.648 -2.208 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.154 -0.512 2.202 1.00 0.00 H new ATOM 624 N PRO A 37 96.971 -0.080 7.422 1.00 0.00 N ATOM 625 CA PRO A 37 96.628 0.609 8.684 1.00 0.00 C ATOM 626 C PRO A 37 95.304 1.378 8.560 1.00 0.00 C ATOM 627 O PRO A 37 94.515 1.395 9.481 1.00 0.00 O ATOM 628 CB PRO A 37 97.793 1.558 8.900 1.00 0.00 C ATOM 629 CG PRO A 37 98.435 1.792 7.508 1.00 0.00 C ATOM 630 CD PRO A 37 97.959 0.642 6.596 1.00 0.00 C ATOM 0 HA PRO A 37 96.484 -0.082 9.514 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.452 2.498 9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.517 1.132 9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.134 2.757 7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.523 1.802 7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.511 1.020 5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.786 -0.006 6.305 1.00 0.00 H new ATOM 638 N TRP A 38 95.038 1.988 7.431 1.00 0.00 N ATOM 639 CA TRP A 38 93.740 2.717 7.269 1.00 0.00 C ATOM 640 C TRP A 38 93.732 3.982 8.133 1.00 0.00 C ATOM 641 O TRP A 38 94.373 4.961 7.803 1.00 0.00 O ATOM 642 CB TRP A 38 92.609 1.767 7.663 1.00 0.00 C ATOM 643 CG TRP A 38 92.837 0.495 6.927 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.634 -0.508 7.341 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.314 0.098 5.637 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.638 -1.500 6.375 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.829 -1.174 5.309 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.446 0.715 4.735 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.494 -1.810 4.115 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.102 0.090 3.535 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.625 -1.175 3.220 1.00 0.00 C ATOM 0 H TRP A 38 95.657 2.013 6.621 1.00 0.00 H new ATOM 0 HA TRP A 38 93.605 3.031 6.234 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.606 1.595 8.739 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.639 2.193 7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.180 -0.534 8.272 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.174 -2.365 6.444 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.036 1.687 4.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.901 -2.783 3.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.431 0.581 2.846 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.358 -1.656 2.291 1.00 0.00 H new ATOM 865 N ALA A 52 97.780 8.826 4.824 1.00 0.00 N ATOM 866 CA ALA A 52 97.272 9.675 3.708 1.00 0.00 C ATOM 867 C ALA A 52 98.306 9.944 2.572 1.00 0.00 C ATOM 868 O ALA A 52 98.001 10.736 1.702 1.00 0.00 O ATOM 869 CB ALA A 52 96.820 11.016 4.287 1.00 0.00 C ATOM 0 HA ALA A 52 96.454 9.120 3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 52 96.445 11.651 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 52 96.028 10.849 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 52 97.664 11.506 4.773 1.00 0.00 H new ATOM 875 N PRO A 53 99.484 9.332 2.564 1.00 0.00 N ATOM 876 CA PRO A 53 100.461 9.601 1.490 1.00 0.00 C ATOM 877 C PRO A 53 100.079 8.839 0.217 1.00 0.00 C ATOM 878 O PRO A 53 100.512 9.166 -0.869 1.00 0.00 O ATOM 879 CB PRO A 53 101.788 9.104 2.063 1.00 0.00 C ATOM 880 CG PRO A 53 101.432 8.087 3.169 1.00 0.00 C ATOM 881 CD PRO A 53 99.964 8.349 3.559 1.00 0.00 C ATOM 0 HA PRO A 53 100.506 10.652 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.395 8.637 1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.370 9.931 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.560 7.066 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.088 8.207 4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.375 7.432 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 53 99.887 8.741 4.573 1.00 0.00 H new ATOM 889 N LEU A 54 99.255 7.836 0.344 1.00 0.00 N ATOM 890 CA LEU A 54 98.824 7.061 -0.858 1.00 0.00 C ATOM 891 C LEU A 54 97.500 7.641 -1.310 1.00 0.00 C ATOM 892 O LEU A 54 97.326 8.071 -2.431 1.00 0.00 O ATOM 893 CB LEU A 54 98.580 5.592 -0.498 1.00 0.00 C ATOM 894 CG LEU A 54 99.849 4.891 0.009 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.870 5.893 0.549 1.00 0.00 C ATOM 896 CD2 LEU A 54 99.441 3.942 1.131 1.00 0.00 C ATOM 0 H LEU A 54 98.860 7.518 1.229 1.00 0.00 H new ATOM 0 HA LEU A 54 99.596 7.120 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.806 5.533 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 54 98.203 5.065 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 54 100.314 4.357 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.754 5.359 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 54 101.154 6.586 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.431 6.449 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 54 100.324 3.428 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.975 4.510 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.732 3.209 0.747 1.00 0.00 H new ATOM 908 N PHE A 55 96.573 7.663 -0.403 1.00 0.00 N ATOM 909 CA PHE A 55 95.234 8.218 -0.688 1.00 0.00 C ATOM 910 C PHE A 55 95.378 9.469 -1.562 1.00 0.00 C ATOM 911 O PHE A 55 94.499 9.807 -2.326 1.00 0.00 O ATOM 912 CB PHE A 55 94.596 8.569 0.650 1.00 0.00 C ATOM 913 CG PHE A 55 93.606 7.496 1.040 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.065 6.310 1.624 1.00 0.00 C ATOM 915 CD2 PHE A 55 92.236 7.686 0.826 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.156 5.312 1.992 1.00 0.00 C ATOM 917 CE2 PHE A 55 91.325 6.688 1.195 1.00 0.00 C ATOM 918 CZ PHE A 55 91.786 5.500 1.778 1.00 0.00 C ATOM 0 H PHE A 55 96.693 7.310 0.547 1.00 0.00 H new ATOM 0 HA PHE A 55 94.612 7.501 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.365 8.664 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.093 9.534 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.122 6.165 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.881 8.602 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.512 4.397 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.268 6.834 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.084 4.730 2.062 1.00 0.00 H new ATOM 928 N ARG A 56 96.491 10.151 -1.465 1.00 0.00 N ATOM 929 CA ARG A 56 96.703 11.366 -2.303 1.00 0.00 C ATOM 930 C ARG A 56 96.992 10.935 -3.744 1.00 0.00 C ATOM 931 O ARG A 56 96.367 11.398 -4.676 1.00 0.00 O ATOM 932 CB ARG A 56 97.895 12.160 -1.759 1.00 0.00 C ATOM 933 CG ARG A 56 98.247 13.297 -2.726 1.00 0.00 C ATOM 934 CD ARG A 56 97.377 14.517 -2.420 1.00 0.00 C ATOM 935 NE ARG A 56 97.647 14.984 -1.032 1.00 0.00 N ATOM 936 CZ ARG A 56 97.249 16.168 -0.648 1.00 0.00 C ATOM 937 NH1 ARG A 56 96.613 16.950 -1.480 1.00 0.00 N ATOM 938 NH2 ARG A 56 97.487 16.570 0.571 1.00 0.00 N ATOM 0 H ARG A 56 97.262 9.917 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 56 95.811 11.991 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.655 12.567 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.754 11.501 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 56 99.301 13.556 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 56 98.090 12.975 -3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 56 97.589 15.315 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 56 96.323 14.262 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 56 98.144 14.378 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 56 96.426 16.637 -2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 56 96.304 17.874 -1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 56 97.983 15.960 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 56 97.177 17.494 0.873 1.00 0.00 H new ATOM 952 N ASN A 57 97.937 10.049 -3.930 1.00 0.00 N ATOM 953 CA ASN A 57 98.268 9.586 -5.310 1.00 0.00 C ATOM 954 C ASN A 57 96.972 9.347 -6.098 1.00 0.00 C ATOM 955 O ASN A 57 96.944 9.435 -7.307 1.00 0.00 O ATOM 956 CB ASN A 57 99.102 8.295 -5.229 1.00 0.00 C ATOM 957 CG ASN A 57 98.188 7.074 -5.126 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.530 6.711 -6.081 1.00 0.00 O ATOM 959 ND2 ASN A 57 98.131 6.416 -4.003 1.00 0.00 N ATOM 0 H ASN A 57 98.493 9.627 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 57 98.851 10.348 -5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.736 8.209 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.763 8.336 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.533 5.594 -3.924 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.685 6.723 -3.203 1.00 0.00 H new ATOM 966 N TRP A 58 95.899 9.046 -5.415 1.00 0.00 N ATOM 967 CA TRP A 58 94.597 8.799 -6.105 1.00 0.00 C ATOM 968 C TRP A 58 94.418 9.764 -7.285 1.00 0.00 C ATOM 969 O TRP A 58 94.709 9.442 -8.419 1.00 0.00 O ATOM 970 CB TRP A 58 93.453 9.026 -5.112 1.00 0.00 C ATOM 971 CG TRP A 58 92.947 7.713 -4.605 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.688 7.488 -4.165 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.659 6.450 -4.472 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.582 6.168 -3.771 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.770 5.486 -3.941 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.974 6.050 -4.758 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.172 4.173 -3.701 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.384 4.728 -4.520 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.484 3.791 -3.991 1.00 0.00 C ATOM 0 H TRP A 58 95.868 8.960 -4.399 1.00 0.00 H new ATOM 0 HA TRP A 58 94.588 7.774 -6.476 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.800 9.638 -4.279 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.644 9.574 -5.595 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.895 8.220 -4.128 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.730 5.749 -3.400 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.675 6.764 -5.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.474 3.456 -3.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.398 4.431 -4.745 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.805 2.776 -3.808 1.00 0.00 H new ATOM 990 N ALA A 59 93.914 10.939 -7.017 1.00 0.00 N ATOM 991 CA ALA A 59 93.673 11.941 -8.100 1.00 0.00 C ATOM 992 C ALA A 59 94.781 11.903 -9.158 1.00 0.00 C ATOM 993 O ALA A 59 94.532 12.129 -10.325 1.00 0.00 O ATOM 994 CB ALA A 59 93.613 13.342 -7.488 1.00 0.00 C ATOM 0 H ALA A 59 93.655 11.253 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 59 92.729 11.694 -8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.437 14.076 -8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.801 13.387 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.558 13.563 -6.991 1.00 0.00 H new ATOM 1000 N ILE A 60 96.002 11.646 -8.777 1.00 0.00 N ATOM 1001 CA ILE A 60 97.094 11.632 -9.793 1.00 0.00 C ATOM 1002 C ILE A 60 97.194 10.252 -10.460 1.00 0.00 C ATOM 1003 O ILE A 60 96.714 10.054 -11.560 1.00 0.00 O ATOM 1004 CB ILE A 60 98.427 11.989 -9.124 1.00 0.00 C ATOM 1005 CG1 ILE A 60 98.214 13.158 -8.156 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.438 12.398 -10.197 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.461 14.284 -8.866 1.00 0.00 C ATOM 0 H ILE A 60 96.290 11.447 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 60 96.866 12.370 -10.562 1.00 0.00 H new ATOM 0 HB ILE A 60 98.803 11.125 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.651 12.823 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 60 99.175 13.522 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.387 12.652 -9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.588 11.570 -10.890 1.00 0.00 H new ATOM 0 HG23 ILE A 60 99.060 13.263 -10.742 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.311 15.114 -8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 60 98.041 14.626 -9.723 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.493 13.916 -9.207 1.00 0.00 H new ATOM 1019 N HIS A 61 97.820 9.303 -9.816 1.00 0.00 N ATOM 1020 CA HIS A 61 97.962 7.946 -10.418 1.00 0.00 C ATOM 1021 C HIS A 61 96.664 7.533 -11.119 1.00 0.00 C ATOM 1022 O HIS A 61 96.617 7.405 -12.327 1.00 0.00 O ATOM 1023 CB HIS A 61 98.287 6.939 -9.314 1.00 0.00 C ATOM 1024 CG HIS A 61 98.223 5.545 -9.871 1.00 0.00 C ATOM 1025 ND1 HIS A 61 97.243 4.584 -9.827 1.00 0.00 N flip ATOM 1026 CD2 HIS A 61 99.270 4.985 -10.586 1.00 0.00 C flip ATOM 1027 CE1 HIS A 61 97.673 3.445 -10.502 1.00 0.00 C flip ATOM 1028 NE2 HIS A 61 98.900 3.740 -10.940 1.00 0.00 N flip ATOM 0 H HIS A 61 98.241 9.411 -8.893 1.00 0.00 H new ATOM 0 HA HIS A 61 98.766 7.966 -11.154 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.280 7.135 -8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.581 7.046 -8.491 1.00 0.00 H new ATOM 0 HD2 HIS A 61 100.212 5.461 -10.817 1.00 0.00 H new ATOM 0 HE1 HIS A 61 97.131 2.521 -10.642 1.00 0.00 H new ATOM 0 HE2 HIS A 61 99.485 3.100 -11.477 1.00 0.00 H new ATOM 1036 N THR A 62 95.615 7.312 -10.374 1.00 0.00 N ATOM 1037 CA THR A 62 94.326 6.898 -11.001 1.00 0.00 C ATOM 1038 C THR A 62 94.074 7.723 -12.266 1.00 0.00 C ATOM 1039 O THR A 62 93.646 7.204 -13.278 1.00 0.00 O ATOM 1040 CB THR A 62 93.182 7.119 -10.008 1.00 0.00 C ATOM 1041 OG1 THR A 62 93.040 8.509 -9.753 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.492 6.386 -8.703 1.00 0.00 C ATOM 0 H THR A 62 95.594 7.400 -9.358 1.00 0.00 H new ATOM 0 HA THR A 62 94.379 5.842 -11.268 1.00 0.00 H new ATOM 0 HB THR A 62 92.254 6.732 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.907 8.884 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.678 6.543 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.600 5.320 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.420 6.772 -8.280 1.00 0.00 H new ATOM 1050 N GLY A 63 94.338 9.000 -12.218 1.00 0.00 N ATOM 1051 CA GLY A 63 94.116 9.853 -13.422 1.00 0.00 C ATOM 1052 C GLY A 63 92.708 10.451 -13.374 1.00 0.00 C ATOM 1053 O GLY A 63 92.225 11.001 -14.345 1.00 0.00 O ATOM 0 H GLY A 63 94.697 9.490 -11.399 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.859 10.649 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 63 94.240 9.260 -14.328 1.00 0.00 H new ATOM 1057 N LYS A 64 92.046 10.352 -12.255 1.00 0.00 N ATOM 1058 CA LYS A 64 90.671 10.919 -12.151 1.00 0.00 C ATOM 1059 C LYS A 64 90.757 12.423 -11.884 1.00 0.00 C ATOM 1060 O LYS A 64 89.756 13.089 -11.704 1.00 0.00 O ATOM 1061 CB LYS A 64 89.926 10.241 -11.000 1.00 0.00 C ATOM 1062 CG LYS A 64 89.299 8.936 -11.493 1.00 0.00 C ATOM 1063 CD LYS A 64 88.800 8.127 -10.295 1.00 0.00 C ATOM 1064 CE LYS A 64 89.648 6.864 -10.142 1.00 0.00 C ATOM 1065 NZ LYS A 64 88.755 5.677 -10.022 1.00 0.00 N ATOM 0 H LYS A 64 92.396 9.904 -11.408 1.00 0.00 H new ATOM 0 HA LYS A 64 90.136 10.745 -13.085 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.613 10.039 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.153 10.904 -10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.473 9.150 -12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 64 90.032 8.358 -12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.857 8.728 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.753 7.860 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 64 90.308 6.750 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 64 90.284 6.945 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 89.332 4.818 -9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 88.143 5.786 -9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 88.167 5.598 -10.876 1.00 0.00 H new ATOM 1079 N HIS A 65 91.942 12.965 -11.857 1.00 0.00 N ATOM 1080 CA HIS A 65 92.086 14.426 -11.601 1.00 0.00 C ATOM 1081 C HIS A 65 93.406 14.917 -12.204 1.00 0.00 C ATOM 1082 O HIS A 65 94.263 14.138 -12.571 1.00 0.00 O ATOM 1083 CB HIS A 65 92.074 14.682 -10.086 1.00 0.00 C ATOM 1084 CG HIS A 65 92.732 16.002 -9.780 1.00 0.00 C ATOM 1085 ND1 HIS A 65 92.087 17.216 -9.964 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.990 16.314 -9.323 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.951 18.191 -9.625 1.00 0.00 C ATOM 1088 NE2 HIS A 65 94.126 17.695 -9.227 1.00 0.00 N ATOM 0 H HIS A 65 92.817 12.461 -12.001 1.00 0.00 H new ATOM 0 HA HIS A 65 91.258 14.965 -12.061 1.00 0.00 H new ATOM 0 HB2 HIS A 65 91.048 14.684 -9.718 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.597 13.877 -9.569 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.757 15.595 -9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 65 92.722 19.246 -9.669 1.00 0.00 H new ATOM 0 HE2 HIS A 65 94.946 18.217 -8.919 1.00 0.00 H new ATOM 1096 N GLN A 66 93.575 16.207 -12.296 1.00 0.00 N ATOM 1097 CA GLN A 66 94.833 16.765 -12.861 1.00 0.00 C ATOM 1098 C GLN A 66 95.003 18.206 -12.370 1.00 0.00 C ATOM 1099 O GLN A 66 94.034 18.915 -12.196 1.00 0.00 O ATOM 1100 CB GLN A 66 94.761 16.752 -14.389 1.00 0.00 C ATOM 1101 CG GLN A 66 95.105 15.354 -14.906 1.00 0.00 C ATOM 1102 CD GLN A 66 93.834 14.668 -15.411 1.00 0.00 C ATOM 1103 OE1 GLN A 66 93.059 14.149 -14.634 1.00 0.00 O ATOM 1104 NE2 GLN A 66 93.585 14.645 -16.693 1.00 0.00 N ATOM 0 H GLN A 66 92.890 16.903 -12.001 1.00 0.00 H new ATOM 0 HA GLN A 66 95.681 16.161 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 66 93.762 17.037 -14.719 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.454 17.485 -14.802 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.838 15.422 -15.710 1.00 0.00 H new ATOM 0 HG3 GLN A 66 95.559 14.762 -14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 66 94.235 15.081 -17.347 1.00 0.00 H new ATOM 0 HE22 GLN A 66 92.740 14.191 -17.040 1.00 0.00 H new ATOM 1113 N PRO A 67 96.232 18.594 -12.155 1.00 0.00 N ATOM 1114 CA PRO A 67 96.558 19.949 -11.679 1.00 0.00 C ATOM 1115 C PRO A 67 96.472 20.955 -12.831 1.00 0.00 C ATOM 1116 O PRO A 67 97.128 20.813 -13.844 1.00 0.00 O ATOM 1117 CB PRO A 67 97.998 19.812 -11.174 1.00 0.00 C ATOM 1118 CG PRO A 67 98.598 18.577 -11.891 1.00 0.00 C ATOM 1119 CD PRO A 67 97.407 17.724 -12.369 1.00 0.00 C ATOM 0 HA PRO A 67 95.876 20.312 -10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.575 20.709 -11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.019 19.681 -10.092 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.219 18.882 -12.733 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.235 18.008 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.511 17.446 -13.418 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.326 16.798 -11.800 1.00 0.00 H new ATOM 1127 N GLY A 68 95.665 21.972 -12.686 1.00 0.00 N ATOM 1128 CA GLY A 68 95.536 22.983 -13.774 1.00 0.00 C ATOM 1129 C GLY A 68 94.566 22.467 -14.838 1.00 0.00 C ATOM 1130 O GLY A 68 94.503 22.982 -15.937 1.00 0.00 O ATOM 0 H GLY A 68 95.090 22.146 -11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 68 95.176 23.928 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 68 96.511 23.179 -14.220 1.00 0.00 H new ATOM 1134 N ILE A 69 93.808 21.451 -14.521 1.00 0.00 N ATOM 1135 CA ILE A 69 92.844 20.900 -15.514 1.00 0.00 C ATOM 1136 C ILE A 69 91.520 20.573 -14.816 1.00 0.00 C ATOM 1137 O ILE A 69 90.453 20.846 -15.330 1.00 0.00 O ATOM 1138 CB ILE A 69 93.427 19.625 -16.132 1.00 0.00 C ATOM 1139 CG1 ILE A 69 94.523 20.002 -17.129 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.326 18.849 -16.858 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.068 18.735 -17.791 1.00 0.00 C ATOM 0 H ILE A 69 93.816 20.980 -13.617 1.00 0.00 H new ATOM 0 HA ILE A 69 92.666 21.637 -16.298 1.00 0.00 H new ATOM 0 HB ILE A 69 93.845 19.001 -15.342 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.124 20.678 -17.886 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.327 20.533 -16.619 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.747 17.944 -17.295 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.543 18.580 -16.149 1.00 0.00 H new ATOM 0 HG23 ILE A 69 91.903 19.470 -17.647 1.00 0.00 H new ATOM 0 HD11 ILE A 69 95.849 19.003 -18.502 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.482 18.075 -17.028 1.00 0.00 H new ATOM 0 HD13 ILE A 69 94.261 18.222 -18.315 1.00 0.00 H new ATOM 1153 N ASP A 70 91.581 19.990 -13.651 1.00 0.00 N ATOM 1154 CA ASP A 70 90.328 19.643 -12.923 1.00 0.00 C ATOM 1155 C ASP A 70 90.427 20.136 -11.477 1.00 0.00 C ATOM 1156 O ASP A 70 91.493 20.455 -10.991 1.00 0.00 O ATOM 1157 CB ASP A 70 90.135 18.125 -12.935 1.00 0.00 C ATOM 1158 CG ASP A 70 89.471 17.703 -14.248 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.763 18.515 -14.820 1.00 0.00 O ATOM 1160 OD2 ASP A 70 89.683 16.573 -14.657 1.00 0.00 O ATOM 0 H ASP A 70 92.445 19.739 -13.171 1.00 0.00 H new ATOM 0 HA ASP A 70 89.478 20.120 -13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 70 91.097 17.625 -12.825 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.519 17.820 -12.089 1.00 0.00 H new ATOM 1165 N LYS A 71 89.321 20.205 -10.786 1.00 0.00 N ATOM 1166 CA LYS A 71 89.352 20.680 -9.375 1.00 0.00 C ATOM 1167 C LYS A 71 89.726 19.519 -8.447 1.00 0.00 C ATOM 1168 O LYS A 71 89.407 18.380 -8.723 1.00 0.00 O ATOM 1169 CB LYS A 71 87.974 21.222 -8.987 1.00 0.00 C ATOM 1170 CG LYS A 71 86.971 20.068 -8.920 1.00 0.00 C ATOM 1171 CD LYS A 71 85.619 20.538 -9.460 1.00 0.00 C ATOM 1172 CE LYS A 71 85.180 19.621 -10.602 1.00 0.00 C ATOM 1173 NZ LYS A 71 84.001 20.218 -11.291 1.00 0.00 N ATOM 0 H LYS A 71 88.398 19.953 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 71 90.094 21.472 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.029 21.727 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 71 87.644 21.962 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 71 87.334 19.222 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.864 19.724 -7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.874 20.528 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 85.694 21.566 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.998 19.485 -11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 71 84.927 18.634 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 83.701 19.595 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 83.220 20.326 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.258 21.150 -11.674 1.00 0.00 H new ATOM 1187 N PRO A 72 90.392 19.849 -7.369 1.00 0.00 N ATOM 1188 CA PRO A 72 90.830 18.859 -6.371 1.00 0.00 C ATOM 1189 C PRO A 72 89.650 18.437 -5.489 1.00 0.00 C ATOM 1190 O PRO A 72 89.084 19.236 -4.769 1.00 0.00 O ATOM 1191 CB PRO A 72 91.884 19.613 -5.556 1.00 0.00 C ATOM 1192 CG PRO A 72 91.590 21.119 -5.751 1.00 0.00 C ATOM 1193 CD PRO A 72 90.769 21.240 -7.048 1.00 0.00 C ATOM 0 HA PRO A 72 91.220 17.943 -6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 72 91.829 19.340 -4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 72 92.889 19.366 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.035 21.519 -4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 72 92.516 21.689 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 72 89.890 21.868 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.355 21.689 -7.850 1.00 0.00 H new ATOM 1201 N ASP A 73 89.272 17.190 -5.545 1.00 0.00 N ATOM 1202 CA ASP A 73 88.127 16.720 -4.716 1.00 0.00 C ATOM 1203 C ASP A 73 88.604 15.630 -3.749 1.00 0.00 C ATOM 1204 O ASP A 73 88.782 14.494 -4.141 1.00 0.00 O ATOM 1205 CB ASP A 73 87.044 16.146 -5.632 1.00 0.00 C ATOM 1206 CG ASP A 73 85.672 16.654 -5.185 1.00 0.00 C ATOM 1207 OD1 ASP A 73 85.262 16.309 -4.089 1.00 0.00 O ATOM 1208 OD2 ASP A 73 85.055 17.381 -5.946 1.00 0.00 O ATOM 0 H ASP A 73 89.707 16.476 -6.129 1.00 0.00 H new ATOM 0 HA ASP A 73 87.723 17.557 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.233 16.440 -6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 73 87.067 15.057 -5.601 1.00 0.00 H new ATOM 1213 N PRO A 74 88.794 16.005 -2.507 1.00 0.00 N ATOM 1214 CA PRO A 74 89.248 15.075 -1.461 1.00 0.00 C ATOM 1215 C PRO A 74 88.088 14.189 -0.998 1.00 0.00 C ATOM 1216 O PRO A 74 88.242 13.000 -0.805 1.00 0.00 O ATOM 1217 CB PRO A 74 89.716 15.998 -0.334 1.00 0.00 C ATOM 1218 CG PRO A 74 88.999 17.350 -0.553 1.00 0.00 C ATOM 1219 CD PRO A 74 88.576 17.388 -2.033 1.00 0.00 C ATOM 0 HA PRO A 74 90.032 14.398 -1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.466 15.579 0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 74 90.798 16.124 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.131 17.439 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 74 89.662 18.183 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 74 87.533 17.687 -2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.173 18.102 -2.600 1.00 0.00 H new ATOM 1227 N LYS A 75 86.927 14.758 -0.823 1.00 0.00 N ATOM 1228 CA LYS A 75 85.761 13.945 -0.378 1.00 0.00 C ATOM 1229 C LYS A 75 85.616 12.732 -1.298 1.00 0.00 C ATOM 1230 O LYS A 75 85.148 11.685 -0.895 1.00 0.00 O ATOM 1231 CB LYS A 75 84.491 14.796 -0.445 1.00 0.00 C ATOM 1232 CG LYS A 75 84.241 15.446 0.917 1.00 0.00 C ATOM 1233 CD LYS A 75 82.980 14.847 1.542 1.00 0.00 C ATOM 1234 CE LYS A 75 82.968 15.133 3.045 1.00 0.00 C ATOM 1235 NZ LYS A 75 83.694 14.048 3.763 1.00 0.00 N ATOM 0 H LYS A 75 86.736 15.749 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 75 85.915 13.610 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.594 15.563 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 75 83.639 14.176 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 75 85.097 15.284 1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 75 84.127 16.524 0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 75 82.092 15.272 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.950 13.772 1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 75 83.439 16.095 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.941 15.198 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 83.686 14.242 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 83.226 13.137 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 84.677 14.006 3.426 1.00 0.00 H new ATOM 1249 N THR A 76 86.017 12.864 -2.532 1.00 0.00 N ATOM 1250 CA THR A 76 85.906 11.719 -3.478 1.00 0.00 C ATOM 1251 C THR A 76 87.195 10.897 -3.430 1.00 0.00 C ATOM 1252 O THR A 76 87.189 9.700 -3.637 1.00 0.00 O ATOM 1253 CB THR A 76 85.695 12.250 -4.898 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.557 13.665 -4.857 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.433 11.628 -5.494 1.00 0.00 C ATOM 0 H THR A 76 86.417 13.716 -2.926 1.00 0.00 H new ATOM 0 HA THR A 76 85.061 11.092 -3.195 1.00 0.00 H new ATOM 0 HB THR A 76 86.553 11.987 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.266 13.991 -5.734 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.283 12.007 -6.505 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.541 10.544 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.573 11.889 -4.878 1.00 0.00 H new ATOM 1263 N TRP A 77 88.302 11.532 -3.155 1.00 0.00 N ATOM 1264 CA TRP A 77 89.592 10.792 -3.093 1.00 0.00 C ATOM 1265 C TRP A 77 89.485 9.664 -2.064 1.00 0.00 C ATOM 1266 O TRP A 77 90.020 8.589 -2.251 1.00 0.00 O ATOM 1267 CB TRP A 77 90.712 11.750 -2.680 1.00 0.00 C ATOM 1268 CG TRP A 77 90.987 12.712 -3.792 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.579 12.556 -5.073 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.724 13.970 -3.747 1.00 0.00 C ATOM 1271 NE1 TRP A 77 91.015 13.639 -5.816 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.725 14.536 -5.043 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.382 14.667 -2.718 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.359 15.751 -5.310 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.022 15.891 -2.983 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.009 16.432 -4.276 1.00 0.00 C ATOM 0 H TRP A 77 88.367 12.533 -2.970 1.00 0.00 H new ATOM 0 HA TRP A 77 89.815 10.372 -4.074 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.426 12.293 -1.779 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.615 11.188 -2.441 1.00 0.00 H new ATOM 0 HD1 TRP A 77 90.007 11.723 -5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.834 13.760 -6.813 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.396 14.260 -1.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.347 16.162 -6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.526 16.417 -2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.500 17.373 -4.473 1.00 0.00 H new ATOM 1287 N LYS A 78 88.804 9.899 -0.977 1.00 0.00 N ATOM 1288 CA LYS A 78 88.672 8.838 0.061 1.00 0.00 C ATOM 1289 C LYS A 78 87.565 7.861 -0.340 1.00 0.00 C ATOM 1290 O LYS A 78 87.503 6.748 0.143 1.00 0.00 O ATOM 1291 CB LYS A 78 88.325 9.479 1.408 1.00 0.00 C ATOM 1292 CG LYS A 78 88.298 8.401 2.495 1.00 0.00 C ATOM 1293 CD LYS A 78 88.415 9.060 3.871 1.00 0.00 C ATOM 1294 CE LYS A 78 87.304 8.537 4.785 1.00 0.00 C ATOM 1295 NZ LYS A 78 87.694 7.203 5.323 1.00 0.00 N ATOM 0 H LYS A 78 88.334 10.778 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 78 89.616 8.299 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 78 89.059 10.245 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.356 9.974 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 78 87.372 7.829 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 78 89.118 7.698 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 78 89.390 8.845 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 78 88.341 10.143 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 78 87.132 9.236 5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 78 86.369 8.459 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 86.941 6.846 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 87.837 6.539 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 88.577 7.292 5.865 1.00 0.00 H new ATOM 1309 N ALA A 79 86.690 8.267 -1.218 1.00 0.00 N ATOM 1310 CA ALA A 79 85.588 7.358 -1.646 1.00 0.00 C ATOM 1311 C ALA A 79 86.108 6.384 -2.704 1.00 0.00 C ATOM 1312 O ALA A 79 85.588 5.299 -2.872 1.00 0.00 O ATOM 1313 CB ALA A 79 84.445 8.186 -2.234 1.00 0.00 C ATOM 0 H ALA A 79 86.690 9.187 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 79 85.226 6.797 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.639 7.523 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 79 84.072 8.879 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.808 8.748 -3.095 1.00 0.00 H new ATOM 1319 N ASN A 80 87.129 6.763 -3.423 1.00 0.00 N ATOM 1320 CA ASN A 80 87.678 5.859 -4.473 1.00 0.00 C ATOM 1321 C ASN A 80 88.636 4.849 -3.838 1.00 0.00 C ATOM 1322 O ASN A 80 89.163 3.978 -4.503 1.00 0.00 O ATOM 1323 CB ASN A 80 88.432 6.687 -5.515 1.00 0.00 C ATOM 1324 CG ASN A 80 87.433 7.465 -6.373 1.00 0.00 C ATOM 1325 OD1 ASN A 80 86.737 6.891 -7.187 1.00 0.00 O ATOM 1326 ND2 ASN A 80 87.334 8.758 -6.226 1.00 0.00 N ATOM 0 H ASN A 80 87.607 7.659 -3.329 1.00 0.00 H new ATOM 0 HA ASN A 80 86.857 5.326 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.116 7.376 -5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.037 6.034 -6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.672 9.287 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 80 87.918 9.240 -5.543 1.00 0.00 H new ATOM 1333 N PHE A 81 88.872 4.954 -2.558 1.00 0.00 N ATOM 1334 CA PHE A 81 89.802 3.997 -1.893 1.00 0.00 C ATOM 1335 C PHE A 81 89.000 2.862 -1.251 1.00 0.00 C ATOM 1336 O PHE A 81 89.371 1.707 -1.330 1.00 0.00 O ATOM 1337 CB PHE A 81 90.605 4.726 -0.815 1.00 0.00 C ATOM 1338 CG PHE A 81 92.015 4.188 -0.792 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.240 2.830 -0.534 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.097 5.044 -1.030 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.546 2.328 -0.513 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.405 4.541 -1.010 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.628 3.184 -0.751 1.00 0.00 C ATOM 0 H PHE A 81 88.462 5.659 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 81 90.484 3.584 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.616 5.797 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.136 4.589 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.405 2.170 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.924 6.091 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.719 1.281 -0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.240 5.200 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.636 2.797 -0.735 1.00 0.00 H new ATOM 1353 N ARG A 82 87.906 3.178 -0.615 1.00 0.00 N ATOM 1354 CA ARG A 82 87.088 2.111 0.029 1.00 0.00 C ATOM 1355 C ARG A 82 86.692 1.075 -1.025 1.00 0.00 C ATOM 1356 O ARG A 82 86.489 -0.085 -0.724 1.00 0.00 O ATOM 1357 CB ARG A 82 85.826 2.734 0.634 1.00 0.00 C ATOM 1358 CG ARG A 82 84.980 1.647 1.301 1.00 0.00 C ATOM 1359 CD ARG A 82 83.645 1.519 0.564 1.00 0.00 C ATOM 1360 NE ARG A 82 82.617 0.953 1.483 1.00 0.00 N ATOM 1361 CZ ARG A 82 81.350 1.017 1.168 1.00 0.00 C ATOM 1362 NH1 ARG A 82 80.978 1.576 0.048 1.00 0.00 N ATOM 1363 NH2 ARG A 82 80.453 0.519 1.976 1.00 0.00 N ATOM 0 H ARG A 82 87.543 4.126 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 82 87.667 1.628 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.100 3.495 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.247 3.233 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.511 0.695 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.808 1.896 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.324 2.495 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.760 0.876 -0.309 1.00 0.00 H new ATOM 0 HE ARG A 82 82.903 0.515 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 82 81.677 1.965 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 82 79.988 1.624 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 82 80.742 0.081 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 82 79.464 0.568 1.732 1.00 0.00 H new ATOM 1377 N CYS A 83 86.583 1.486 -2.260 1.00 0.00 N ATOM 1378 CA CYS A 83 86.204 0.527 -3.337 1.00 0.00 C ATOM 1379 C CYS A 83 87.333 -0.486 -3.533 1.00 0.00 C ATOM 1380 O CYS A 83 87.099 -1.645 -3.815 1.00 0.00 O ATOM 1381 CB CYS A 83 85.972 1.291 -4.642 1.00 0.00 C ATOM 1382 SG CYS A 83 84.969 2.761 -4.312 1.00 0.00 S ATOM 0 H CYS A 83 86.740 2.445 -2.569 1.00 0.00 H new ATOM 0 HA CYS A 83 85.290 0.005 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.927 1.580 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.469 0.650 -5.366 1.00 0.00 H new ATOM 0 HG CYS A 83 85.690 3.649 -3.694 1.00 0.00 H new ATOM 1388 N ALA A 84 88.558 -0.061 -3.383 1.00 0.00 N ATOM 1389 CA ALA A 84 89.696 -1.006 -3.555 1.00 0.00 C ATOM 1390 C ALA A 84 89.433 -2.256 -2.718 1.00 0.00 C ATOM 1391 O ALA A 84 89.871 -3.339 -3.048 1.00 0.00 O ATOM 1392 CB ALA A 84 90.993 -0.338 -3.093 1.00 0.00 C ATOM 0 H ALA A 84 88.819 0.897 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 84 89.793 -1.281 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.824 -1.031 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 84 91.173 0.557 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.906 -0.064 -2.042 1.00 0.00 H new ATOM 1398 N MET A 85 88.708 -2.116 -1.645 1.00 0.00 N ATOM 1399 CA MET A 85 88.406 -3.300 -0.797 1.00 0.00 C ATOM 1400 C MET A 85 87.214 -4.043 -1.398 1.00 0.00 C ATOM 1401 O MET A 85 87.140 -5.255 -1.366 1.00 0.00 O ATOM 1402 CB MET A 85 88.070 -2.842 0.622 1.00 0.00 C ATOM 1403 CG MET A 85 89.288 -2.141 1.225 1.00 0.00 C ATOM 1404 SD MET A 85 89.188 -0.365 0.890 1.00 0.00 S ATOM 1405 CE MET A 85 90.884 -0.154 0.295 1.00 0.00 C ATOM 0 H MET A 85 88.312 -1.234 -1.319 1.00 0.00 H new ATOM 0 HA MET A 85 89.271 -3.962 -0.759 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.216 -2.164 0.606 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.787 -3.697 1.236 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.328 -2.318 2.300 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.204 -2.551 0.801 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.422 0.520 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.385 -1.122 0.274 1.00 0.00 H new ATOM 0 HE3 MET A 85 90.867 0.267 -0.710 1.00 0.00 H new ATOM 1415 N ASN A 86 86.283 -3.322 -1.958 1.00 0.00 N ATOM 1416 CA ASN A 86 85.102 -3.985 -2.574 1.00 0.00 C ATOM 1417 C ASN A 86 85.488 -4.527 -3.955 1.00 0.00 C ATOM 1418 O ASN A 86 84.659 -5.028 -4.688 1.00 0.00 O ATOM 1419 CB ASN A 86 83.964 -2.972 -2.724 1.00 0.00 C ATOM 1420 CG ASN A 86 83.486 -2.522 -1.341 1.00 0.00 C ATOM 1421 OD1 ASN A 86 83.966 -3.002 -0.333 1.00 0.00 O ATOM 1422 ND2 ASN A 86 82.550 -1.615 -1.250 1.00 0.00 N ATOM 0 H ASN A 86 86.289 -2.304 -2.015 1.00 0.00 H new ATOM 0 HA ASN A 86 84.773 -4.806 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.304 -2.111 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 86 83.138 -3.418 -3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.223 -1.310 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 86 82.147 -1.212 -2.096 1.00 0.00 H new ATOM 1429 N SER A 87 86.745 -4.438 -4.314 1.00 0.00 N ATOM 1430 CA SER A 87 87.179 -4.952 -5.641 1.00 0.00 C ATOM 1431 C SER A 87 87.881 -6.288 -5.451 1.00 0.00 C ATOM 1432 O SER A 87 87.769 -6.893 -4.410 1.00 0.00 O ATOM 1433 CB SER A 87 88.135 -3.953 -6.295 1.00 0.00 C ATOM 1434 OG SER A 87 88.021 -4.052 -7.709 1.00 0.00 O ATOM 0 H SER A 87 87.486 -4.031 -3.743 1.00 0.00 H new ATOM 0 HA SER A 87 86.310 -5.084 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.899 -2.940 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 87 89.160 -4.157 -5.986 1.00 0.00 H new ATOM 0 HG SER A 87 88.631 -3.412 -8.132 1.00 0.00 H new ATOM 1440 N LEU A 88 88.597 -6.741 -6.454 1.00 0.00 N ATOM 1441 CA LEU A 88 89.321 -8.053 -6.371 1.00 0.00 C ATOM 1442 C LEU A 88 88.549 -9.037 -5.468 1.00 0.00 C ATOM 1443 O LEU A 88 88.572 -8.922 -4.258 1.00 0.00 O ATOM 1444 CB LEU A 88 90.732 -7.839 -5.797 1.00 0.00 C ATOM 1445 CG LEU A 88 91.080 -6.344 -5.739 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.634 -5.758 -4.395 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.593 -6.171 -5.884 1.00 0.00 C ATOM 0 H LEU A 88 88.712 -6.250 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 88 89.394 -8.470 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.791 -8.269 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.463 -8.363 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 88 90.567 -5.824 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.883 -4.698 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.557 -5.881 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.144 -6.278 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.844 -5.111 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 88 93.099 -6.695 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.917 -6.584 -6.840 1.00 0.00 H new ATOM 1459 N PRO A 89 87.885 -9.987 -6.084 1.00 0.00 N ATOM 1460 CA PRO A 89 87.083 -10.996 -5.357 1.00 0.00 C ATOM 1461 C PRO A 89 87.958 -12.022 -4.615 1.00 0.00 C ATOM 1462 O PRO A 89 87.542 -13.139 -4.377 1.00 0.00 O ATOM 1463 CB PRO A 89 86.260 -11.664 -6.463 1.00 0.00 C ATOM 1464 CG PRO A 89 87.013 -11.402 -7.787 1.00 0.00 C ATOM 1465 CD PRO A 89 87.884 -10.156 -7.551 1.00 0.00 C ATOM 0 HA PRO A 89 86.470 -10.546 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.159 -12.734 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.252 -11.250 -6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.628 -12.260 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.313 -11.237 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.894 -10.297 -7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.471 -9.281 -8.052 1.00 0.00 H new ATOM 1473 N ASP A 90 89.150 -11.655 -4.228 1.00 0.00 N ATOM 1474 CA ASP A 90 90.019 -12.601 -3.485 1.00 0.00 C ATOM 1475 C ASP A 90 90.551 -11.903 -2.227 1.00 0.00 C ATOM 1476 O ASP A 90 91.297 -12.477 -1.460 1.00 0.00 O ATOM 1477 CB ASP A 90 91.190 -13.023 -4.374 1.00 0.00 C ATOM 1478 CG ASP A 90 91.821 -11.784 -5.012 1.00 0.00 C ATOM 1479 OD1 ASP A 90 91.133 -11.117 -5.767 1.00 0.00 O ATOM 1480 OD2 ASP A 90 92.980 -11.524 -4.735 1.00 0.00 O ATOM 0 H ASP A 90 89.558 -10.735 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 90 89.448 -13.485 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.933 -13.559 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 90 90.844 -13.707 -5.149 1.00 0.00 H new ATOM 1485 N ILE A 91 90.181 -10.662 -2.012 1.00 0.00 N ATOM 1486 CA ILE A 91 90.677 -9.936 -0.810 1.00 0.00 C ATOM 1487 C ILE A 91 89.835 -10.317 0.415 1.00 0.00 C ATOM 1488 O ILE A 91 88.622 -10.350 0.362 1.00 0.00 O ATOM 1489 CB ILE A 91 90.620 -8.408 -1.052 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.357 -7.787 -0.445 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.620 -8.101 -2.548 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.413 -6.269 -0.636 1.00 0.00 C ATOM 0 H ILE A 91 89.559 -10.126 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 91 91.713 -10.219 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 91 91.502 -7.981 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.468 -8.195 -0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.288 -8.032 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.580 -7.022 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.529 -8.496 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.751 -8.565 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.519 -5.815 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.296 -5.872 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.463 -6.038 -1.700 1.00 0.00 H new ATOM 1504 N GLU A 92 90.472 -10.596 1.521 1.00 0.00 N ATOM 1505 CA GLU A 92 89.710 -10.962 2.747 1.00 0.00 C ATOM 1506 C GLU A 92 90.019 -9.949 3.851 1.00 0.00 C ATOM 1507 O GLU A 92 91.052 -10.002 4.489 1.00 0.00 O ATOM 1508 CB GLU A 92 90.119 -12.365 3.204 1.00 0.00 C ATOM 1509 CG GLU A 92 88.866 -13.198 3.481 1.00 0.00 C ATOM 1510 CD GLU A 92 87.921 -12.416 4.394 1.00 0.00 C ATOM 1511 OE1 GLU A 92 87.158 -11.615 3.877 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.977 -12.629 5.593 1.00 0.00 O ATOM 0 H GLU A 92 91.486 -10.586 1.627 1.00 0.00 H new ATOM 0 HA GLU A 92 88.641 -10.953 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.726 -12.846 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.732 -12.302 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.364 -13.441 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 92 89.141 -14.143 3.950 1.00 0.00 H new ATOM 1519 N GLU A 93 89.134 -9.017 4.073 1.00 0.00 N ATOM 1520 CA GLU A 93 89.378 -7.988 5.123 1.00 0.00 C ATOM 1521 C GLU A 93 89.296 -8.614 6.516 1.00 0.00 C ATOM 1522 O GLU A 93 88.403 -9.383 6.816 1.00 0.00 O ATOM 1523 CB GLU A 93 88.329 -6.885 5.002 1.00 0.00 C ATOM 1524 CG GLU A 93 86.976 -7.405 5.491 1.00 0.00 C ATOM 1525 CD GLU A 93 85.868 -6.458 5.025 1.00 0.00 C ATOM 1526 OE1 GLU A 93 85.986 -5.271 5.278 1.00 0.00 O ATOM 1527 OE2 GLU A 93 84.922 -6.938 4.422 1.00 0.00 O ATOM 0 H GLU A 93 88.251 -8.923 3.572 1.00 0.00 H new ATOM 0 HA GLU A 93 90.376 -7.572 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.630 -6.017 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.250 -6.557 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.798 -8.408 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 93 86.974 -7.478 6.579 1.00 0.00 H new ATOM 1534 N VAL A 94 90.224 -8.279 7.368 1.00 0.00 N ATOM 1535 CA VAL A 94 90.219 -8.831 8.751 1.00 0.00 C ATOM 1536 C VAL A 94 90.692 -7.747 9.723 1.00 0.00 C ATOM 1537 O VAL A 94 91.874 -7.575 9.945 1.00 0.00 O ATOM 1538 CB VAL A 94 91.170 -10.029 8.828 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.418 -10.394 10.294 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.543 -11.223 8.106 1.00 0.00 C ATOM 0 H VAL A 94 90.993 -7.641 7.163 1.00 0.00 H new ATOM 0 HA VAL A 94 89.211 -9.151 9.014 1.00 0.00 H new ATOM 0 HB VAL A 94 92.117 -9.771 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.095 -11.247 10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.864 -9.544 10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.472 -10.652 10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.219 -12.077 8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.596 -11.479 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.367 -10.965 7.062 1.00 0.00 H new ATOM 1550 N LYS A 95 89.784 -7.009 10.299 1.00 0.00 N ATOM 1551 CA LYS A 95 90.192 -5.933 11.249 1.00 0.00 C ATOM 1552 C LYS A 95 90.270 -6.495 12.667 1.00 0.00 C ATOM 1553 O LYS A 95 90.126 -5.784 13.641 1.00 0.00 O ATOM 1554 CB LYS A 95 89.162 -4.809 11.211 1.00 0.00 C ATOM 1555 CG LYS A 95 87.820 -5.351 11.708 1.00 0.00 C ATOM 1556 CD LYS A 95 86.999 -4.214 12.319 1.00 0.00 C ATOM 1557 CE LYS A 95 87.132 -4.250 13.844 1.00 0.00 C ATOM 1558 NZ LYS A 95 87.602 -2.923 14.332 1.00 0.00 N ATOM 0 H LYS A 95 88.779 -7.103 10.154 1.00 0.00 H new ATOM 0 HA LYS A 95 91.170 -5.550 10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.488 -3.978 11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.061 -4.424 10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.272 -5.805 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.985 -6.133 12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.346 -3.254 11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.952 -4.312 12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.172 -4.498 14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.835 -5.028 14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 87.693 -2.946 15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 88.526 -2.705 13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 86.915 -2.190 14.061 1.00 0.00 H new ATOM 1727 N PHE A 106 94.084 -2.279 12.412 1.00 0.00 N ATOM 1728 CA PHE A 106 94.185 -2.070 10.939 1.00 0.00 C ATOM 1729 C PHE A 106 93.141 -2.926 10.219 1.00 0.00 C ATOM 1730 O PHE A 106 92.297 -3.557 10.823 1.00 0.00 O ATOM 1731 CB PHE A 106 95.565 -2.494 10.420 1.00 0.00 C ATOM 1732 CG PHE A 106 96.516 -2.783 11.551 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.270 -1.747 12.109 1.00 0.00 C ATOM 1734 CD2 PHE A 106 96.662 -4.090 12.021 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.172 -2.018 13.140 1.00 0.00 C ATOM 1736 CE2 PHE A 106 97.560 -4.365 13.054 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.319 -3.328 13.615 1.00 0.00 C ATOM 0 HA PHE A 106 94.023 -1.010 10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.463 -3.380 9.794 1.00 0.00 H new ATOM 0 HB3 PHE A 106 95.976 -1.705 9.790 1.00 0.00 H new ATOM 0 HD1 PHE A 106 97.155 -0.737 11.743 1.00 0.00 H new ATOM 0 HD2 PHE A 106 96.080 -4.888 11.585 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.756 -1.218 13.571 1.00 0.00 H new ATOM 0 HE2 PHE A 106 97.670 -5.375 13.420 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.016 -3.539 14.412 1.00 0.00 H new ATOM 1747 N ARG A 107 93.246 -2.982 8.923 1.00 0.00 N ATOM 1748 CA ARG A 107 92.339 -3.819 8.103 1.00 0.00 C ATOM 1749 C ARG A 107 93.242 -4.812 7.377 1.00 0.00 C ATOM 1750 O ARG A 107 93.895 -4.488 6.397 1.00 0.00 O ATOM 1751 CB ARG A 107 91.574 -2.948 7.097 1.00 0.00 C ATOM 1752 CG ARG A 107 90.076 -3.227 7.202 1.00 0.00 C ATOM 1753 CD ARG A 107 89.317 -2.318 6.236 1.00 0.00 C ATOM 1754 NE ARG A 107 88.301 -1.529 6.991 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.693 -0.522 6.422 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.971 -0.200 5.187 1.00 0.00 N ATOM 1757 NH2 ARG A 107 86.806 0.163 7.089 1.00 0.00 N ATOM 0 H ARG A 107 93.943 -2.467 8.386 1.00 0.00 H new ATOM 0 HA ARG A 107 91.593 -4.328 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.771 -1.894 7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.921 -3.156 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.873 -4.272 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.734 -3.056 8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 107 90.011 -1.647 5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 107 88.830 -2.915 5.465 1.00 0.00 H new ATOM 0 HE ARG A 107 88.080 -1.777 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.664 -0.735 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.495 0.587 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 107 86.588 -0.088 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 107 86.331 0.949 6.646 1.00 0.00 H new ATOM 1771 N VAL A 108 93.336 -6.001 7.895 1.00 0.00 N ATOM 1772 CA VAL A 108 94.239 -7.011 7.289 1.00 0.00 C ATOM 1773 C VAL A 108 93.550 -7.676 6.099 1.00 0.00 C ATOM 1774 O VAL A 108 92.630 -8.452 6.253 1.00 0.00 O ATOM 1775 CB VAL A 108 94.597 -8.047 8.353 1.00 0.00 C ATOM 1776 CG1 VAL A 108 95.929 -8.696 8.007 1.00 0.00 C ATOM 1777 CG2 VAL A 108 94.736 -7.348 9.704 1.00 0.00 C ATOM 0 H VAL A 108 92.823 -6.318 8.717 1.00 0.00 H new ATOM 0 HA VAL A 108 95.150 -6.533 6.929 1.00 0.00 H new ATOM 0 HB VAL A 108 93.815 -8.805 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.182 -9.435 8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.854 -9.186 7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.707 -7.933 7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.992 -8.082 10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.523 -6.596 9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.793 -6.867 9.964 1.00 0.00 H new ATOM 1787 N TYR A 109 93.986 -7.365 4.909 1.00 0.00 N ATOM 1788 CA TYR A 109 93.348 -7.964 3.707 1.00 0.00 C ATOM 1789 C TYR A 109 94.167 -9.153 3.209 1.00 0.00 C ATOM 1790 O TYR A 109 95.365 -9.066 3.025 1.00 0.00 O ATOM 1791 CB TYR A 109 93.267 -6.908 2.605 1.00 0.00 C ATOM 1792 CG TYR A 109 91.983 -6.133 2.759 1.00 0.00 C ATOM 1793 CD1 TYR A 109 90.823 -6.573 2.116 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.953 -4.980 3.551 1.00 0.00 C ATOM 1795 CE1 TYR A 109 89.628 -5.859 2.264 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.759 -4.265 3.701 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.598 -4.705 3.057 1.00 0.00 C ATOM 1798 OH TYR A 109 88.420 -4.002 3.207 1.00 0.00 O ATOM 0 H TYR A 109 94.755 -6.723 4.719 1.00 0.00 H new ATOM 0 HA TYR A 109 92.348 -8.310 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.122 -6.235 2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.304 -7.383 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 109 90.848 -7.463 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.851 -4.642 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 109 88.731 -6.198 1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.734 -3.375 4.313 1.00 0.00 H new ATOM 0 HH TYR A 109 87.928 -4.349 3.980 1.00 0.00 H new ATOM 1808 N ARG A 110 93.521 -10.262 2.980 1.00 0.00 N ATOM 1809 CA ARG A 110 94.247 -11.460 2.481 1.00 0.00 C ATOM 1810 C ARG A 110 93.832 -11.722 1.033 1.00 0.00 C ATOM 1811 O ARG A 110 92.688 -12.017 0.749 1.00 0.00 O ATOM 1812 CB ARG A 110 93.890 -12.673 3.341 1.00 0.00 C ATOM 1813 CG ARG A 110 94.402 -13.945 2.663 1.00 0.00 C ATOM 1814 CD ARG A 110 94.980 -14.891 3.718 1.00 0.00 C ATOM 1815 NE ARG A 110 94.221 -16.174 3.704 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.019 -16.230 4.210 1.00 0.00 C ATOM 1817 NH1 ARG A 110 92.475 -15.163 4.733 1.00 0.00 N ATOM 1818 NH2 ARG A 110 92.357 -17.353 4.193 1.00 0.00 N ATOM 0 H ARG A 110 92.518 -10.389 3.118 1.00 0.00 H new ATOM 0 HA ARG A 110 95.322 -11.288 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 110 94.332 -12.573 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 110 92.810 -12.730 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 110 93.590 -14.435 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.166 -13.695 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 110 96.035 -15.078 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 110 94.921 -14.432 4.705 1.00 0.00 H new ATOM 0 HE ARG A 110 94.642 -17.010 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 110 92.990 -14.283 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 110 91.536 -15.211 5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 110 92.778 -18.187 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 110 91.418 -17.397 4.588 1.00 0.00 H new ATOM 1832 N MET A 111 94.753 -11.610 0.115 1.00 0.00 N ATOM 1833 CA MET A 111 94.412 -11.849 -1.316 1.00 0.00 C ATOM 1834 C MET A 111 94.747 -13.294 -1.684 1.00 0.00 C ATOM 1835 O MET A 111 95.896 -13.649 -1.867 1.00 0.00 O ATOM 1836 CB MET A 111 95.224 -10.898 -2.200 1.00 0.00 C ATOM 1837 CG MET A 111 94.677 -9.477 -2.060 1.00 0.00 C ATOM 1838 SD MET A 111 94.363 -8.786 -3.703 1.00 0.00 S ATOM 1839 CE MET A 111 95.944 -7.927 -3.894 1.00 0.00 C ATOM 0 H MET A 111 95.726 -11.363 0.294 1.00 0.00 H new ATOM 0 HA MET A 111 93.348 -11.670 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.275 -10.924 -1.911 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.171 -11.218 -3.241 1.00 0.00 H new ATOM 0 HG2 MET A 111 93.757 -9.486 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.390 -8.853 -1.522 1.00 0.00 H new ATOM 0 HE1 MET A 111 95.770 -6.853 -3.951 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.583 -8.146 -3.038 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.433 -8.264 -4.808 1.00 0.00 H new ATOM 1849 N LEU A 112 93.755 -14.132 -1.796 1.00 0.00 N ATOM 1850 CA LEU A 112 94.019 -15.553 -2.156 1.00 0.00 C ATOM 1851 C LEU A 112 94.475 -15.623 -3.616 1.00 0.00 C ATOM 1852 O LEU A 112 94.011 -14.864 -4.444 1.00 0.00 O ATOM 1853 CB LEU A 112 92.737 -16.371 -1.974 1.00 0.00 C ATOM 1854 CG LEU A 112 92.066 -15.982 -0.655 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.596 -15.641 -0.908 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.153 -17.154 0.327 1.00 0.00 C ATOM 0 H LEU A 112 92.773 -13.895 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 112 94.798 -15.960 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.057 -16.191 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.969 -17.436 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 112 92.573 -15.114 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.120 -15.364 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.531 -14.807 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.089 -16.509 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.675 -16.877 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.647 -18.022 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.199 -17.398 0.510 1.00 0.00 H new ATOM 1868 N PRO A 113 95.378 -16.531 -3.886 1.00 0.00 N ATOM 1869 CA PRO A 113 95.927 -16.722 -5.239 1.00 0.00 C ATOM 1870 C PRO A 113 94.930 -17.476 -6.125 1.00 0.00 C ATOM 1871 O PRO A 113 95.307 -18.502 -6.664 1.00 0.00 O ATOM 1872 CB PRO A 113 97.189 -17.549 -5.004 1.00 0.00 C ATOM 1873 CG PRO A 113 96.999 -18.250 -3.643 1.00 0.00 C ATOM 1874 CD PRO A 113 95.931 -17.449 -2.876 1.00 0.00 C ATOM 1875 OXT PRO A 113 93.808 -17.012 -6.248 1.00 0.00 O ATOM 0 HA PRO A 113 96.132 -15.783 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.330 -18.279 -5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.074 -16.913 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.682 -19.284 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.936 -18.276 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.161 -18.102 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.366 -16.905 -2.038 1.00 0.00 H new