USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -0.0951 X(o=0.76,f=0.51) USER MOD Set 1.2: A 85 SER OG : rot 55:sc= 0.854 USER MOD Single : A 11 THR OG1 : rot 47:sc= 0.57 USER MOD Single : A 13 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.3) USER MOD Single : A 17 CYS SG : rot -98:sc= 1.15 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 32:sc= 0.337 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.19) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 25 GLN : amide:sc=-0.00113 X(o=-0.0011,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.896 K(o=-0.9,f=-3) USER MOD Single : A 27 TYR OH : rot 8:sc= -1.71! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 65:sc= 0.333 USER MOD Single : A 40 HIS : no HD1:sc= -3.89 X(o=-3.9,f=-3.6!) USER MOD Single : A 49 SER OG : rot -108:sc= 0.0137 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.495 K(o=-0.49,f=-1.3) USER MOD Single : A 77 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.071) USER MOD Single : A 84 LYS NZ :NH3+ -107:sc= -0.812 (180deg=-3.1!) USER MOD Single : A 87 ASN : amide:sc= -2.2 K(o=-2.2,f=-3.5!) USER MOD Single : A 88 SER OG : rot 38:sc= 0.553 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 41:sc= 1.39 USER MOD Single : A 99 TYR OH : rot 169:sc= 0.0415 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 106 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.7!) USER MOD Single : A 110 LYS NZ :NH3+ -156:sc= 0.21 (180deg=0.0581) USER MOD Single : A 114 GLN : amide:sc= -2.17! C(o=-2.2!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -11.268 -11.394 8.806 1.00 0.00 N ATOM 105 CA THR A 11 -10.951 -10.105 8.205 1.00 0.00 C ATOM 106 C THR A 11 -9.956 -9.329 9.061 1.00 0.00 C ATOM 107 O THR A 11 -10.307 -8.804 10.118 1.00 0.00 O ATOM 108 CB THR A 11 -12.218 -9.250 8.009 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.908 -9.103 9.255 1.00 0.00 O ATOM 110 CG2 THR A 11 -13.144 -9.883 6.982 1.00 0.00 C ATOM 0 HA THR A 11 -10.506 -10.311 7.232 1.00 0.00 H new ATOM 0 HB THR A 11 -11.914 -8.268 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.269 -8.858 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.031 -9.262 6.860 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.625 -9.966 6.027 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.440 -10.876 7.322 1.00 0.00 H new ATOM 118 N PHE A 12 -8.713 -9.259 8.597 1.00 0.00 N ATOM 119 CA PHE A 12 -7.666 -8.547 9.321 1.00 0.00 C ATOM 120 C PHE A 12 -8.063 -7.093 9.560 1.00 0.00 C ATOM 121 O PHE A 12 -9.085 -6.627 9.059 1.00 0.00 O ATOM 122 CB PHE A 12 -6.349 -8.606 8.544 1.00 0.00 C ATOM 123 CG PHE A 12 -5.613 -9.905 8.709 1.00 0.00 C ATOM 124 CD1 PHE A 12 -4.768 -10.105 9.789 1.00 0.00 C ATOM 125 CD2 PHE A 12 -5.767 -10.926 7.785 1.00 0.00 C ATOM 126 CE1 PHE A 12 -4.090 -11.300 9.944 1.00 0.00 C ATOM 127 CE2 PHE A 12 -5.092 -12.122 7.935 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.251 -12.309 9.016 1.00 0.00 C ATOM 0 H PHE A 12 -8.406 -9.686 7.723 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.532 -9.033 10.287 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.553 -8.445 7.485 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.706 -7.789 8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.638 -9.319 10.518 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.422 -10.785 6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.435 -11.444 10.791 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.221 -12.910 7.208 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.721 -13.243 9.134 1.00 0.00 H new ATOM 138 N ASN A 13 -7.247 -6.382 10.332 1.00 0.00 N ATOM 139 CA ASN A 13 -7.513 -4.982 10.640 1.00 0.00 C ATOM 140 C ASN A 13 -6.460 -4.076 10.008 1.00 0.00 C ATOM 141 O ASN A 13 -5.499 -3.656 10.654 1.00 0.00 O ATOM 142 CB ASN A 13 -7.543 -4.768 12.154 1.00 0.00 C ATOM 143 CG ASN A 13 -8.133 -5.953 12.894 1.00 0.00 C ATOM 144 OD1 ASN A 13 -7.523 -7.020 12.966 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.326 -5.771 13.447 1.00 0.00 N ATOM 0 H ASN A 13 -6.396 -6.753 10.755 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.487 -4.723 10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.530 -4.587 12.513 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.126 -3.875 12.380 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.773 -6.533 13.957 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.795 -4.869 13.362 1.00 0.00 H new ATOM 152 N PRO A 14 -6.643 -3.768 8.716 1.00 0.00 N ATOM 153 CA PRO A 14 -5.719 -2.908 7.969 1.00 0.00 C ATOM 154 C PRO A 14 -5.782 -1.455 8.426 1.00 0.00 C ATOM 155 O PRO A 14 -6.662 -1.075 9.198 1.00 0.00 O ATOM 156 CB PRO A 14 -6.207 -3.036 6.523 1.00 0.00 C ATOM 157 CG PRO A 14 -7.648 -3.397 6.640 1.00 0.00 C ATOM 158 CD PRO A 14 -7.765 -4.234 7.885 1.00 0.00 C ATOM 0 HA PRO A 14 -4.680 -3.205 8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.076 -2.102 5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.650 -3.802 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.270 -2.504 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.984 -3.952 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.723 -4.083 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.686 -5.298 7.663 1.00 0.00 H new ATOM 166 N ARG A 15 -4.843 -0.647 7.944 1.00 0.00 N ATOM 167 CA ARG A 15 -4.792 0.765 8.304 1.00 0.00 C ATOM 168 C ARG A 15 -4.750 1.643 7.057 1.00 0.00 C ATOM 169 O ARG A 15 -3.942 1.419 6.156 1.00 0.00 O ATOM 170 CB ARG A 15 -3.570 1.045 9.180 1.00 0.00 C ATOM 171 CG ARG A 15 -3.281 2.526 9.367 1.00 0.00 C ATOM 172 CD ARG A 15 -4.200 3.145 10.410 1.00 0.00 C ATOM 173 NE ARG A 15 -3.748 2.868 11.771 1.00 0.00 N ATOM 174 CZ ARG A 15 -4.542 2.921 12.834 1.00 0.00 C ATOM 175 NH1 ARG A 15 -5.822 3.238 12.694 1.00 0.00 N ATOM 176 NH2 ARG A 15 -4.057 2.655 14.040 1.00 0.00 N ATOM 0 H ARG A 15 -4.108 -0.946 7.304 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.695 1.004 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.721 0.587 10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.697 0.566 8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.243 2.660 9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.405 3.045 8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.248 4.223 10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.211 2.759 10.278 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.769 2.620 11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.199 3.442 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.430 3.278 13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.073 2.409 14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.668 2.696 14.856 1.00 0.00 H new ATOM 190 N GLU A 16 -5.626 2.642 7.012 1.00 0.00 N ATOM 191 CA GLU A 16 -5.688 3.552 5.875 1.00 0.00 C ATOM 192 C GLU A 16 -4.831 4.790 6.121 1.00 0.00 C ATOM 193 O GLU A 16 -4.752 5.290 7.244 1.00 0.00 O ATOM 194 CB GLU A 16 -7.136 3.966 5.604 1.00 0.00 C ATOM 195 CG GLU A 16 -7.286 4.931 4.440 1.00 0.00 C ATOM 196 CD GLU A 16 -8.492 5.838 4.585 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.622 5.368 4.340 1.00 0.00 O ATOM 198 OE2 GLU A 16 -8.305 7.020 4.945 1.00 0.00 O ATOM 0 H GLU A 16 -6.302 2.841 7.749 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.297 3.029 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.729 3.073 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.547 4.427 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.386 5.540 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.371 4.365 3.512 1.00 0.00 H new ATOM 205 N CYS A 17 -4.192 5.279 5.064 1.00 0.00 N ATOM 206 CA CYS A 17 -3.339 6.458 5.165 1.00 0.00 C ATOM 207 C CYS A 17 -3.564 7.394 3.982 1.00 0.00 C ATOM 208 O CYS A 17 -3.261 7.052 2.839 1.00 0.00 O ATOM 209 CB CYS A 17 -1.868 6.045 5.232 1.00 0.00 C ATOM 210 SG CYS A 17 -1.404 5.214 6.769 1.00 0.00 S ATOM 0 H CYS A 17 -4.248 4.878 4.128 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.601 6.989 6.080 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.649 5.384 4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.247 6.932 5.109 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.843 6.069 7.572 1.00 0.00 H new ATOM 216 N LYS A 18 -4.098 8.578 4.264 1.00 0.00 N ATOM 217 CA LYS A 18 -4.365 9.565 3.224 1.00 0.00 C ATOM 218 C LYS A 18 -3.184 10.518 3.063 1.00 0.00 C ATOM 219 O LYS A 18 -2.714 11.109 4.035 1.00 0.00 O ATOM 220 CB LYS A 18 -5.631 10.357 3.557 1.00 0.00 C ATOM 221 CG LYS A 18 -6.914 9.571 3.343 1.00 0.00 C ATOM 222 CD LYS A 18 -8.132 10.479 3.350 1.00 0.00 C ATOM 223 CE LYS A 18 -9.405 9.702 3.646 1.00 0.00 C ATOM 224 NZ LYS A 18 -10.607 10.580 3.631 1.00 0.00 N ATOM 0 H LYS A 18 -4.354 8.877 5.205 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.513 9.035 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.583 10.682 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.659 11.257 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.861 9.039 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.016 8.819 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.000 11.261 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.223 10.974 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.526 8.908 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.319 9.221 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.454 10.013 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.504 11.322 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.704 11.019 2.693 1.00 0.00 H new ATOM 238 N LEU A 19 -2.711 10.662 1.830 1.00 0.00 N ATOM 239 CA LEU A 19 -1.586 11.545 1.541 1.00 0.00 C ATOM 240 C LEU A 19 -2.046 12.777 0.767 1.00 0.00 C ATOM 241 O LEU A 19 -2.874 12.680 -0.139 1.00 0.00 O ATOM 242 CB LEU A 19 -0.517 10.797 0.743 1.00 0.00 C ATOM 243 CG LEU A 19 0.463 9.954 1.560 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.238 8.735 2.142 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.647 9.532 0.703 1.00 0.00 C ATOM 0 H LEU A 19 -3.089 10.179 1.015 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.160 11.872 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.017 10.145 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.054 11.525 0.167 1.00 0.00 H new ATOM 0 HG LEU A 19 0.836 10.562 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.475 8.147 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.052 9.059 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.639 8.125 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.334 8.933 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.292 8.942 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.164 10.418 0.335 1.00 0.00 H new ATOM 257 N SER A 20 -1.501 13.934 1.129 1.00 0.00 N ATOM 258 CA SER A 20 -1.855 15.185 0.470 1.00 0.00 C ATOM 259 C SER A 20 -0.605 15.971 0.086 1.00 0.00 C ATOM 260 O SER A 20 0.231 16.284 0.935 1.00 0.00 O ATOM 261 CB SER A 20 -2.744 16.033 1.382 1.00 0.00 C ATOM 262 OG SER A 20 -2.070 16.367 2.583 1.00 0.00 O ATOM 0 H SER A 20 -0.812 14.031 1.875 1.00 0.00 H new ATOM 0 HA SER A 20 -2.405 14.944 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.040 16.944 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.658 15.487 1.614 1.00 0.00 H new ATOM 0 HG SER A 20 -1.110 16.456 2.406 1.00 0.00 H new ATOM 268 N LYS A 21 -0.483 16.286 -1.199 1.00 0.00 N ATOM 269 CA LYS A 21 0.664 17.036 -1.697 1.00 0.00 C ATOM 270 C LYS A 21 0.239 18.022 -2.781 1.00 0.00 C ATOM 271 O LYS A 21 -0.849 17.908 -3.344 1.00 0.00 O ATOM 272 CB LYS A 21 1.723 16.080 -2.250 1.00 0.00 C ATOM 273 CG LYS A 21 1.380 15.516 -3.618 1.00 0.00 C ATOM 274 CD LYS A 21 2.565 14.794 -4.237 1.00 0.00 C ATOM 275 CE LYS A 21 2.345 14.532 -5.719 1.00 0.00 C ATOM 276 NZ LYS A 21 3.553 13.945 -6.363 1.00 0.00 N ATOM 0 H LYS A 21 -1.165 16.033 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 21 1.089 17.598 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.677 16.604 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.857 15.255 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.540 14.827 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.061 16.324 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.467 15.391 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.727 13.849 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.500 13.855 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.084 15.465 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.342 13.718 -7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.335 14.630 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.827 13.077 -5.860 1.00 0.00 H new ATOM 290 N GLN A 22 1.106 18.989 -3.067 1.00 0.00 N ATOM 291 CA GLN A 22 0.819 19.994 -4.084 1.00 0.00 C ATOM 292 C GLN A 22 1.190 19.484 -5.473 1.00 0.00 C ATOM 293 O GLN A 22 1.910 18.496 -5.609 1.00 0.00 O ATOM 294 CB GLN A 22 1.580 21.286 -3.783 1.00 0.00 C ATOM 295 CG GLN A 22 1.193 21.925 -2.459 1.00 0.00 C ATOM 296 CD GLN A 22 2.053 23.126 -2.117 1.00 0.00 C ATOM 297 OE1 GLN A 22 2.663 23.737 -2.994 1.00 0.00 O ATOM 298 NE2 GLN A 22 2.107 23.470 -0.835 1.00 0.00 N ATOM 0 H GLN A 22 2.011 19.097 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.252 20.198 -4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.649 21.075 -3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.401 21.999 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.148 22.231 -2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.278 21.184 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.585 22.935 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.671 24.269 -0.545 1.00 0.00 H new ATOM 307 N GLU A 23 0.691 20.165 -6.500 1.00 0.00 N ATOM 308 CA GLU A 23 0.969 19.779 -7.879 1.00 0.00 C ATOM 309 C GLU A 23 2.439 20.004 -8.221 1.00 0.00 C ATOM 310 O GLU A 23 2.945 21.122 -8.130 1.00 0.00 O ATOM 311 CB GLU A 23 0.083 20.570 -8.842 1.00 0.00 C ATOM 312 CG GLU A 23 0.232 22.077 -8.709 1.00 0.00 C ATOM 313 CD GLU A 23 -0.713 22.839 -9.616 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.913 22.929 -9.281 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.254 23.346 -10.661 1.00 0.00 O ATOM 0 H GLU A 23 0.093 20.986 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 23 0.748 18.717 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.322 20.279 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.959 20.300 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.049 22.366 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.259 22.359 -8.942 1.00 0.00 H new ATOM 322 N GLY A 24 3.121 18.932 -8.614 1.00 0.00 N ATOM 323 CA GLY A 24 4.526 19.033 -8.962 1.00 0.00 C ATOM 324 C GLY A 24 5.436 18.557 -7.848 1.00 0.00 C ATOM 325 O GLY A 24 6.473 17.945 -8.104 1.00 0.00 O ATOM 0 H GLY A 24 2.725 17.996 -8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.718 18.445 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.764 20.069 -9.203 1.00 0.00 H new ATOM 329 N GLN A 25 5.048 18.839 -6.608 1.00 0.00 N ATOM 330 CA GLN A 25 5.838 18.436 -5.451 1.00 0.00 C ATOM 331 C GLN A 25 5.783 16.925 -5.253 1.00 0.00 C ATOM 332 O GLN A 25 4.938 16.244 -5.831 1.00 0.00 O ATOM 333 CB GLN A 25 5.336 19.146 -4.192 1.00 0.00 C ATOM 334 CG GLN A 25 6.419 19.376 -3.150 1.00 0.00 C ATOM 335 CD GLN A 25 5.908 20.118 -1.931 1.00 0.00 C ATOM 336 OE1 GLN A 25 5.391 21.230 -2.039 1.00 0.00 O ATOM 337 NE2 GLN A 25 6.050 19.505 -0.762 1.00 0.00 N ATOM 0 H GLN A 25 4.192 19.345 -6.379 1.00 0.00 H new ATOM 0 HA GLN A 25 6.874 18.722 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.905 20.107 -4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.535 18.556 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.829 18.415 -2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.236 19.941 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.485 18.583 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.725 19.956 0.093 1.00 0.00 H new ATOM 346 N ASN A 26 6.691 16.407 -4.432 1.00 0.00 N ATOM 347 CA ASN A 26 6.747 14.976 -4.158 1.00 0.00 C ATOM 348 C ASN A 26 5.985 14.636 -2.881 1.00 0.00 C ATOM 349 O ASN A 26 5.537 15.526 -2.157 1.00 0.00 O ATOM 350 CB ASN A 26 8.200 14.515 -4.036 1.00 0.00 C ATOM 351 CG ASN A 26 8.337 13.007 -4.119 1.00 0.00 C ATOM 352 OD1 ASN A 26 7.581 12.341 -4.827 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.305 12.460 -3.392 1.00 0.00 N ATOM 0 H ASN A 26 7.398 16.957 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 26 6.276 14.454 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.792 14.975 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.610 14.863 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.445 11.450 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.908 13.050 -2.819 1.00 0.00 H new ATOM 360 N TYR A 27 5.842 13.344 -2.610 1.00 0.00 N ATOM 361 CA TYR A 27 5.133 12.886 -1.421 1.00 0.00 C ATOM 362 C TYR A 27 6.105 12.620 -0.275 1.00 0.00 C ATOM 363 O TYR A 27 5.750 12.743 0.896 1.00 0.00 O ATOM 364 CB TYR A 27 4.337 11.618 -1.733 1.00 0.00 C ATOM 365 CG TYR A 27 2.937 11.890 -2.236 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.034 12.623 -1.476 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.518 11.415 -3.473 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.755 12.874 -1.932 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.241 11.662 -3.938 1.00 0.00 C ATOM 370 CZ TYR A 27 0.363 12.391 -3.163 1.00 0.00 C ATOM 371 OH TYR A 27 -0.911 12.640 -3.621 1.00 0.00 O ATOM 0 H TYR A 27 6.208 12.595 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 27 4.445 13.673 -1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.876 11.036 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.278 11.005 -0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.338 13.003 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.203 10.843 -4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.066 13.445 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.932 11.287 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.357 13.273 -3.020 1.00 0.00 H new ATOM 381 N GLY A 28 7.335 12.256 -0.624 1.00 0.00 N ATOM 382 CA GLY A 28 8.341 11.979 0.385 1.00 0.00 C ATOM 383 C GLY A 28 8.759 10.522 0.403 1.00 0.00 C ATOM 384 O GLY A 28 9.899 10.199 0.735 1.00 0.00 O ATOM 0 H GLY A 28 7.653 12.148 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.216 12.602 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.953 12.255 1.366 1.00 0.00 H new ATOM 388 N PHE A 29 7.832 9.638 0.046 1.00 0.00 N ATOM 389 CA PHE A 29 8.109 8.207 0.025 1.00 0.00 C ATOM 390 C PHE A 29 8.179 7.687 -1.408 1.00 0.00 C ATOM 391 O PHE A 29 7.580 8.261 -2.318 1.00 0.00 O ATOM 392 CB PHE A 29 7.033 7.446 0.803 1.00 0.00 C ATOM 393 CG PHE A 29 5.868 7.021 -0.044 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.872 7.924 -0.379 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.769 5.718 -0.505 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.799 7.537 -1.159 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.698 5.325 -1.286 1.00 0.00 C ATOM 398 CZ PHE A 29 3.712 6.235 -1.612 1.00 0.00 C ATOM 0 H PHE A 29 6.883 9.888 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 29 9.076 8.043 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.482 6.563 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.670 8.075 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.935 8.943 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.537 5.002 -0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.030 8.251 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.633 4.307 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.874 5.929 -2.220 1.00 0.00 H new ATOM 408 N PHE A 30 8.916 6.598 -1.600 1.00 0.00 N ATOM 409 CA PHE A 30 9.066 6.001 -2.922 1.00 0.00 C ATOM 410 C PHE A 30 8.697 4.521 -2.896 1.00 0.00 C ATOM 411 O PHE A 30 8.644 3.901 -1.833 1.00 0.00 O ATOM 412 CB PHE A 30 10.503 6.171 -3.421 1.00 0.00 C ATOM 413 CG PHE A 30 10.913 7.606 -3.591 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.314 8.401 -4.555 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.897 8.159 -2.788 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.689 9.722 -4.714 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.275 9.479 -2.942 1.00 0.00 C ATOM 418 CZ PHE A 30 11.672 10.261 -3.907 1.00 0.00 C ATOM 0 H PHE A 30 9.418 6.111 -0.858 1.00 0.00 H new ATOM 0 HA PHE A 30 8.388 6.514 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.182 5.688 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.611 5.655 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.546 7.984 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.374 7.552 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.214 10.332 -5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.042 9.899 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.968 11.292 -4.031 1.00 0.00 H new ATOM 428 N LEU A 31 8.441 3.960 -4.073 1.00 0.00 N ATOM 429 CA LEU A 31 8.075 2.553 -4.187 1.00 0.00 C ATOM 430 C LEU A 31 9.279 1.708 -4.590 1.00 0.00 C ATOM 431 O LEU A 31 9.809 1.851 -5.693 1.00 0.00 O ATOM 432 CB LEU A 31 6.950 2.379 -5.209 1.00 0.00 C ATOM 433 CG LEU A 31 5.528 2.569 -4.680 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.560 2.811 -5.827 1.00 0.00 C ATOM 435 CD2 LEU A 31 5.097 1.360 -3.862 1.00 0.00 C ATOM 0 H LEU A 31 8.480 4.459 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 31 7.727 2.214 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.112 3.087 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.027 1.380 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 31 5.516 3.445 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.553 2.944 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.857 3.707 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.575 1.955 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.083 1.513 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.125 0.468 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.774 1.232 -3.018 1.00 0.00 H new ATOM 447 N ARG A 32 9.706 0.827 -3.692 1.00 0.00 N ATOM 448 CA ARG A 32 10.847 -0.042 -3.955 1.00 0.00 C ATOM 449 C ARG A 32 10.422 -1.507 -3.973 1.00 0.00 C ATOM 450 O ARG A 32 9.836 -2.006 -3.012 1.00 0.00 O ATOM 451 CB ARG A 32 11.932 0.172 -2.898 1.00 0.00 C ATOM 452 CG ARG A 32 12.435 1.604 -2.822 1.00 0.00 C ATOM 453 CD ARG A 32 13.596 1.838 -3.776 1.00 0.00 C ATOM 454 NE ARG A 32 13.775 3.255 -4.084 1.00 0.00 N ATOM 455 CZ ARG A 32 14.838 3.741 -4.715 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.811 2.929 -5.103 1.00 0.00 N ATOM 457 NH2 ARG A 32 14.928 5.042 -4.959 1.00 0.00 N ATOM 0 H ARG A 32 9.279 0.696 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 32 11.248 0.214 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.540 -0.118 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.772 -0.488 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.622 2.290 -3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.750 1.827 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.512 1.444 -3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.423 1.285 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 32 13.044 3.907 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.745 1.928 -4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.626 3.305 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.181 5.669 -4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.745 5.415 -5.444 1.00 0.00 H new ATOM 471 N ILE A 33 10.720 -2.190 -5.073 1.00 0.00 N ATOM 472 CA ILE A 33 10.369 -3.598 -5.216 1.00 0.00 C ATOM 473 C ILE A 33 11.574 -4.494 -4.951 1.00 0.00 C ATOM 474 O ILE A 33 12.656 -4.272 -5.493 1.00 0.00 O ATOM 475 CB ILE A 33 9.818 -3.901 -6.622 1.00 0.00 C ATOM 476 CG1 ILE A 33 10.901 -3.673 -7.679 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.599 -3.037 -6.910 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.762 -4.890 -7.933 1.00 0.00 C ATOM 0 H ILE A 33 11.203 -1.792 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 33 9.594 -3.807 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 33 9.515 -4.947 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.428 -3.371 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.538 -2.847 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.221 -3.262 -7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.824 -3.244 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.878 -1.985 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.508 -4.656 -8.693 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.264 -5.180 -7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.136 -5.712 -8.280 1.00 0.00 H new ATOM 490 N GLU A 34 11.378 -5.509 -4.115 1.00 0.00 N ATOM 491 CA GLU A 34 12.449 -6.440 -3.780 1.00 0.00 C ATOM 492 C GLU A 34 12.235 -7.786 -4.466 1.00 0.00 C ATOM 493 O GLU A 34 11.107 -8.158 -4.791 1.00 0.00 O ATOM 494 CB GLU A 34 12.528 -6.635 -2.264 1.00 0.00 C ATOM 495 CG GLU A 34 13.316 -5.549 -1.551 1.00 0.00 C ATOM 496 CD GLU A 34 14.806 -5.826 -1.531 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.503 -5.397 -2.475 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.276 -6.472 -0.571 1.00 0.00 O ATOM 0 H GLU A 34 10.488 -5.707 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 34 13.388 -6.017 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.517 -6.666 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.986 -7.602 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.135 -4.593 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.954 -5.456 -0.527 1.00 0.00 H new ATOM 505 N LYS A 35 13.326 -8.512 -4.685 1.00 0.00 N ATOM 506 CA LYS A 35 13.261 -9.817 -5.332 1.00 0.00 C ATOM 507 C LYS A 35 12.635 -10.853 -4.404 1.00 0.00 C ATOM 508 O LYS A 35 12.883 -10.851 -3.198 1.00 0.00 O ATOM 509 CB LYS A 35 14.660 -10.271 -5.752 1.00 0.00 C ATOM 510 CG LYS A 35 15.162 -9.602 -7.020 1.00 0.00 C ATOM 511 CD LYS A 35 15.849 -8.281 -6.718 1.00 0.00 C ATOM 512 CE LYS A 35 17.311 -8.484 -6.350 1.00 0.00 C ATOM 513 NZ LYS A 35 17.849 -7.340 -5.562 1.00 0.00 N ATOM 0 H LYS A 35 14.267 -8.218 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 35 12.635 -9.725 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.359 -10.064 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.653 -11.351 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.858 -10.266 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.326 -9.432 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.779 -7.626 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.333 -7.780 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.416 -9.403 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.900 -8.608 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.848 -7.517 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.772 -6.467 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.303 -7.237 -4.683 1.00 0.00 H new ATOM 527 N ASP A 36 11.825 -11.739 -4.975 1.00 0.00 N ATOM 528 CA ASP A 36 11.166 -12.783 -4.199 1.00 0.00 C ATOM 529 C ASP A 36 10.419 -12.187 -3.010 1.00 0.00 C ATOM 530 O ASP A 36 10.548 -12.661 -1.880 1.00 0.00 O ATOM 531 CB ASP A 36 12.190 -13.809 -3.711 1.00 0.00 C ATOM 532 CG ASP A 36 12.888 -14.519 -4.855 1.00 0.00 C ATOM 533 OD1 ASP A 36 13.833 -13.935 -5.427 1.00 0.00 O ATOM 534 OD2 ASP A 36 12.489 -15.657 -5.179 1.00 0.00 O ATOM 0 H ASP A 36 11.609 -11.755 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 36 10.444 -13.281 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.933 -13.309 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.691 -14.545 -3.081 1.00 0.00 H new ATOM 539 N THR A 37 9.639 -11.143 -3.270 1.00 0.00 N ATOM 540 CA THR A 37 8.873 -10.480 -2.222 1.00 0.00 C ATOM 541 C THR A 37 7.484 -10.094 -2.716 1.00 0.00 C ATOM 542 O THR A 37 7.304 -9.746 -3.884 1.00 0.00 O ATOM 543 CB THR A 37 9.594 -9.218 -1.712 1.00 0.00 C ATOM 544 OG1 THR A 37 10.928 -9.545 -1.309 1.00 0.00 O ATOM 545 CG2 THR A 37 8.842 -8.600 -0.543 1.00 0.00 C ATOM 0 H THR A 37 9.521 -10.738 -4.199 1.00 0.00 H new ATOM 0 HA THR A 37 8.778 -11.192 -1.402 1.00 0.00 H new ATOM 0 HB THR A 37 9.628 -8.493 -2.525 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.442 -9.842 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.370 -7.710 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.837 -8.325 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.780 -9.321 0.272 1.00 0.00 H new ATOM 553 N ASP A 38 6.504 -10.157 -1.822 1.00 0.00 N ATOM 554 CA ASP A 38 5.130 -9.811 -2.167 1.00 0.00 C ATOM 555 C ASP A 38 4.760 -8.437 -1.617 1.00 0.00 C ATOM 556 O ASP A 38 5.108 -8.096 -0.487 1.00 0.00 O ATOM 557 CB ASP A 38 4.165 -10.867 -1.626 1.00 0.00 C ATOM 558 CG ASP A 38 4.389 -12.231 -2.250 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.249 -12.981 -1.743 1.00 0.00 O ATOM 560 OD2 ASP A 38 3.705 -12.547 -3.245 1.00 0.00 O ATOM 0 H ASP A 38 6.635 -10.445 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 38 5.051 -9.780 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.282 -10.942 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.140 -10.549 -1.814 1.00 0.00 H new ATOM 565 N GLY A 39 4.054 -7.652 -2.425 1.00 0.00 N ATOM 566 CA GLY A 39 3.650 -6.324 -2.002 1.00 0.00 C ATOM 567 C GLY A 39 4.709 -5.277 -2.289 1.00 0.00 C ATOM 568 O GLY A 39 5.825 -5.607 -2.691 1.00 0.00 O ATOM 0 H GLY A 39 3.755 -7.912 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.725 -6.050 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.435 -6.336 -0.933 1.00 0.00 H new ATOM 572 N HIS A 40 4.359 -4.012 -2.083 1.00 0.00 N ATOM 573 CA HIS A 40 5.287 -2.913 -2.323 1.00 0.00 C ATOM 574 C HIS A 40 5.815 -2.350 -1.007 1.00 0.00 C ATOM 575 O HIS A 40 5.066 -1.761 -0.226 1.00 0.00 O ATOM 576 CB HIS A 40 4.604 -1.806 -3.126 1.00 0.00 C ATOM 577 CG HIS A 40 4.742 -1.970 -4.609 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.883 -1.624 -5.302 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.873 -2.448 -5.531 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.710 -1.881 -6.586 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.499 -2.382 -6.752 1.00 0.00 N ATOM 0 H HIS A 40 3.439 -3.722 -1.750 1.00 0.00 H new ATOM 0 HA HIS A 40 6.129 -3.301 -2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.545 -1.782 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.025 -0.844 -2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.874 -2.813 -5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.436 -1.710 -7.368 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.094 -2.673 -7.642 1.00 0.00 H new ATOM 590 N LEU A 41 7.108 -2.537 -0.766 1.00 0.00 N ATOM 591 CA LEU A 41 7.737 -2.048 0.457 1.00 0.00 C ATOM 592 C LEU A 41 7.965 -0.542 0.388 1.00 0.00 C ATOM 593 O LEU A 41 8.630 -0.046 -0.522 1.00 0.00 O ATOM 594 CB LEU A 41 9.067 -2.767 0.692 1.00 0.00 C ATOM 595 CG LEU A 41 8.995 -4.065 1.496 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.481 -5.203 0.627 1.00 0.00 C ATOM 597 CD2 LEU A 41 10.359 -4.409 2.077 1.00 0.00 C ATOM 0 H LEU A 41 7.741 -3.023 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 41 7.066 -2.257 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.514 -2.988 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.742 -2.082 1.205 1.00 0.00 H new ATOM 0 HG LEU A 41 8.297 -3.921 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.436 -6.119 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.484 -4.959 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.154 -5.348 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.289 -5.336 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.078 -4.534 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.688 -3.604 2.734 1.00 0.00 H new ATOM 609 N ILE A 42 7.411 0.181 1.356 1.00 0.00 N ATOM 610 CA ILE A 42 7.557 1.630 1.406 1.00 0.00 C ATOM 611 C ILE A 42 8.815 2.030 2.169 1.00 0.00 C ATOM 612 O ILE A 42 8.909 1.826 3.380 1.00 0.00 O ATOM 613 CB ILE A 42 6.335 2.296 2.066 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.067 1.992 1.267 1.00 0.00 C ATOM 615 CG2 ILE A 42 6.549 3.798 2.181 1.00 0.00 C ATOM 616 CD1 ILE A 42 3.803 2.040 2.097 1.00 0.00 C ATOM 0 H ILE A 42 6.857 -0.214 2.116 1.00 0.00 H new ATOM 0 HA ILE A 42 7.636 1.975 0.375 1.00 0.00 H new ATOM 0 HB ILE A 42 6.215 1.888 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.982 2.708 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.159 1.003 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.677 4.255 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.432 3.994 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.691 4.222 1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.944 1.815 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.866 1.305 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.687 3.035 2.526 1.00 0.00 H new ATOM 628 N ARG A 43 9.778 2.601 1.454 1.00 0.00 N ATOM 629 CA ARG A 43 11.031 3.030 2.064 1.00 0.00 C ATOM 630 C ARG A 43 11.433 4.415 1.564 1.00 0.00 C ATOM 631 O ARG A 43 10.823 4.954 0.640 1.00 0.00 O ATOM 632 CB ARG A 43 12.142 2.024 1.760 1.00 0.00 C ATOM 633 CG ARG A 43 12.136 0.814 2.680 1.00 0.00 C ATOM 634 CD ARG A 43 13.256 -0.154 2.334 1.00 0.00 C ATOM 635 NE ARG A 43 14.565 0.359 2.731 1.00 0.00 N ATOM 636 CZ ARG A 43 15.051 0.258 3.963 1.00 0.00 C ATOM 637 NH1 ARG A 43 14.340 -0.333 4.913 1.00 0.00 N ATOM 638 NH2 ARG A 43 16.250 0.750 4.246 1.00 0.00 N ATOM 0 H ARG A 43 9.715 2.778 0.451 1.00 0.00 H new ATOM 0 HA ARG A 43 10.882 3.081 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.042 1.686 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.106 2.526 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.243 1.141 3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.176 0.303 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.076 -1.109 2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.252 -0.345 1.261 1.00 0.00 H new ATOM 0 HE ARG A 43 15.137 0.820 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.417 -0.712 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.716 -0.409 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.799 1.206 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.623 0.672 5.192 1.00 0.00 H new ATOM 652 N VAL A 44 12.463 4.985 2.181 1.00 0.00 N ATOM 653 CA VAL A 44 12.947 6.306 1.798 1.00 0.00 C ATOM 654 C VAL A 44 11.920 7.384 2.126 1.00 0.00 C ATOM 655 O VAL A 44 11.613 8.237 1.292 1.00 0.00 O ATOM 656 CB VAL A 44 13.279 6.369 0.295 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.099 7.611 -0.019 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.014 5.110 -0.140 1.00 0.00 C ATOM 0 H VAL A 44 12.978 4.553 2.948 1.00 0.00 H new ATOM 0 HA VAL A 44 13.856 6.488 2.371 1.00 0.00 H new ATOM 0 HB VAL A 44 12.345 6.429 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.324 7.638 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.532 8.500 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.030 7.585 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.241 5.171 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 44 14.942 5.017 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.386 4.239 0.048 1.00 0.00 H new ATOM 668 N ILE A 45 11.391 7.339 3.344 1.00 0.00 N ATOM 669 CA ILE A 45 10.400 8.313 3.782 1.00 0.00 C ATOM 670 C ILE A 45 11.066 9.597 4.266 1.00 0.00 C ATOM 671 O ILE A 45 11.373 9.739 5.449 1.00 0.00 O ATOM 672 CB ILE A 45 9.517 7.749 4.911 1.00 0.00 C ATOM 673 CG1 ILE A 45 8.799 6.482 4.442 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.511 8.795 5.370 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.105 5.733 5.558 1.00 0.00 C ATOM 0 H ILE A 45 11.632 6.638 4.045 1.00 0.00 H new ATOM 0 HA ILE A 45 9.774 8.535 2.918 1.00 0.00 H new ATOM 0 HB ILE A 45 10.155 7.491 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.064 6.750 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.522 5.820 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.894 8.381 6.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.042 9.673 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.876 9.081 4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.617 4.846 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.839 5.434 6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.358 6.379 6.020 1.00 0.00 H new ATOM 687 N GLU A 46 11.284 10.528 3.343 1.00 0.00 N ATOM 688 CA GLU A 46 11.913 11.801 3.677 1.00 0.00 C ATOM 689 C GLU A 46 11.256 12.427 4.904 1.00 0.00 C ATOM 690 O GLU A 46 10.139 12.067 5.274 1.00 0.00 O ATOM 691 CB GLU A 46 11.827 12.764 2.492 1.00 0.00 C ATOM 692 CG GLU A 46 12.801 13.927 2.581 1.00 0.00 C ATOM 693 CD GLU A 46 12.924 14.686 1.274 1.00 0.00 C ATOM 694 OE1 GLU A 46 11.878 15.033 0.687 1.00 0.00 O ATOM 695 OE2 GLU A 46 14.068 14.934 0.838 1.00 0.00 O ATOM 0 H GLU A 46 11.035 10.425 2.359 1.00 0.00 H new ATOM 0 HA GLU A 46 12.962 11.610 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.017 12.212 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.812 13.155 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.474 14.611 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.782 13.553 2.873 1.00 0.00 H new ATOM 702 N GLU A 47 11.959 13.365 5.530 1.00 0.00 N ATOM 703 CA GLU A 47 11.445 14.041 6.716 1.00 0.00 C ATOM 704 C GLU A 47 10.555 15.218 6.329 1.00 0.00 C ATOM 705 O GLU A 47 10.605 15.703 5.199 1.00 0.00 O ATOM 706 CB GLU A 47 12.600 14.527 7.594 1.00 0.00 C ATOM 707 CG GLU A 47 13.167 13.452 8.505 1.00 0.00 C ATOM 708 CD GLU A 47 14.539 13.808 9.044 1.00 0.00 C ATOM 709 OE1 GLU A 47 15.496 13.859 8.242 1.00 0.00 O ATOM 710 OE2 GLU A 47 14.657 14.034 10.266 1.00 0.00 O ATOM 0 H GLU A 47 12.886 13.674 5.236 1.00 0.00 H new ATOM 0 HA GLU A 47 10.846 13.326 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.397 14.906 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.255 15.363 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.484 13.290 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.229 12.512 7.957 1.00 0.00 H new ATOM 717 N GLY A 48 9.740 15.673 7.276 1.00 0.00 N ATOM 718 CA GLY A 48 8.849 16.788 7.015 1.00 0.00 C ATOM 719 C GLY A 48 8.062 16.614 5.731 1.00 0.00 C ATOM 720 O GLY A 48 7.676 17.593 5.094 1.00 0.00 O ATOM 0 H GLY A 48 9.681 15.289 8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.157 16.899 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.431 17.708 6.959 1.00 0.00 H new ATOM 724 N SER A 49 7.823 15.363 5.351 1.00 0.00 N ATOM 725 CA SER A 49 7.081 15.063 4.132 1.00 0.00 C ATOM 726 C SER A 49 5.620 14.757 4.447 1.00 0.00 C ATOM 727 O SER A 49 5.274 14.312 5.541 1.00 0.00 O ATOM 728 CB SER A 49 7.716 13.878 3.401 1.00 0.00 C ATOM 729 OG SER A 49 7.247 12.647 3.922 1.00 0.00 O ATOM 0 H SER A 49 8.132 14.541 5.870 1.00 0.00 H new ATOM 0 HA SER A 49 7.120 15.941 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.486 13.937 2.337 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.801 13.927 3.496 1.00 0.00 H new ATOM 0 HG SER A 49 7.962 12.215 4.435 1.00 0.00 H new ATOM 735 N PRO A 50 4.740 15.000 3.464 1.00 0.00 N ATOM 736 CA PRO A 50 3.302 14.757 3.611 1.00 0.00 C ATOM 737 C PRO A 50 2.968 13.271 3.674 1.00 0.00 C ATOM 738 O PRO A 50 1.846 12.891 4.006 1.00 0.00 O ATOM 739 CB PRO A 50 2.706 15.386 2.349 1.00 0.00 C ATOM 740 CG PRO A 50 3.811 15.352 1.350 1.00 0.00 C ATOM 741 CD PRO A 50 5.082 15.530 2.133 1.00 0.00 C ATOM 0 HA PRO A 50 2.911 15.175 4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.839 14.826 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.372 16.407 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.817 14.407 0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.694 16.145 0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.911 14.983 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.380 16.577 2.182 1.00 0.00 H new ATOM 749 N ALA A 51 3.951 12.434 3.355 1.00 0.00 N ATOM 750 CA ALA A 51 3.761 10.989 3.379 1.00 0.00 C ATOM 751 C ALA A 51 3.824 10.451 4.804 1.00 0.00 C ATOM 752 O ALA A 51 3.088 9.532 5.163 1.00 0.00 O ATOM 753 CB ALA A 51 4.805 10.306 2.507 1.00 0.00 C ATOM 0 H ALA A 51 4.886 12.732 3.077 1.00 0.00 H new ATOM 0 HA ALA A 51 2.771 10.770 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.652 9.227 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.710 10.661 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.802 10.540 2.881 1.00 0.00 H new ATOM 759 N GLU A 52 4.709 11.028 5.611 1.00 0.00 N ATOM 760 CA GLU A 52 4.868 10.603 6.997 1.00 0.00 C ATOM 761 C GLU A 52 3.689 11.066 7.847 1.00 0.00 C ATOM 762 O GLU A 52 3.150 10.304 8.650 1.00 0.00 O ATOM 763 CB GLU A 52 6.174 11.152 7.575 1.00 0.00 C ATOM 764 CG GLU A 52 6.394 10.790 9.034 1.00 0.00 C ATOM 765 CD GLU A 52 5.769 11.792 9.985 1.00 0.00 C ATOM 766 OE1 GLU A 52 5.786 13.000 9.669 1.00 0.00 O ATOM 767 OE2 GLU A 52 5.263 11.368 11.045 1.00 0.00 O ATOM 0 H GLU A 52 5.326 11.790 5.329 1.00 0.00 H new ATOM 0 HA GLU A 52 4.900 9.514 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.009 10.774 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.178 12.237 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.975 9.802 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.464 10.726 9.231 1.00 0.00 H new ATOM 774 N LYS A 53 3.293 12.321 7.665 1.00 0.00 N ATOM 775 CA LYS A 53 2.177 12.888 8.413 1.00 0.00 C ATOM 776 C LYS A 53 1.037 11.883 8.535 1.00 0.00 C ATOM 777 O LYS A 53 0.258 11.926 9.487 1.00 0.00 O ATOM 778 CB LYS A 53 1.676 14.164 7.732 1.00 0.00 C ATOM 779 CG LYS A 53 2.502 15.395 8.062 1.00 0.00 C ATOM 780 CD LYS A 53 1.915 16.646 7.431 1.00 0.00 C ATOM 781 CE LYS A 53 2.731 17.882 7.779 1.00 0.00 C ATOM 782 NZ LYS A 53 2.308 18.479 9.076 1.00 0.00 N ATOM 0 H LYS A 53 3.729 12.966 7.005 1.00 0.00 H new ATOM 0 HA LYS A 53 2.530 13.133 9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.678 14.014 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.642 14.341 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.552 15.521 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.524 15.254 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.879 16.526 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.888 16.779 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.787 17.618 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.624 18.623 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.888 19.319 9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.307 18.755 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.434 17.781 9.837 1.00 0.00 H new ATOM 796 N ALA A 54 0.946 10.978 7.566 1.00 0.00 N ATOM 797 CA ALA A 54 -0.097 9.960 7.568 1.00 0.00 C ATOM 798 C ALA A 54 0.325 8.743 8.384 1.00 0.00 C ATOM 799 O ALA A 54 -0.150 7.632 8.151 1.00 0.00 O ATOM 800 CB ALA A 54 -0.436 9.549 6.142 1.00 0.00 C ATOM 0 H ALA A 54 1.582 10.929 6.770 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.986 10.387 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.216 8.788 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.788 10.418 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.454 9.146 5.658 1.00 0.00 H new ATOM 806 N GLY A 55 1.221 8.960 9.342 1.00 0.00 N ATOM 807 CA GLY A 55 1.693 7.872 10.178 1.00 0.00 C ATOM 808 C GLY A 55 2.464 6.830 9.392 1.00 0.00 C ATOM 809 O GLY A 55 2.822 5.778 9.925 1.00 0.00 O ATOM 0 H GLY A 55 1.629 9.871 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.330 8.273 10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.842 7.398 10.667 1.00 0.00 H new ATOM 813 N LEU A 56 2.719 7.119 8.121 1.00 0.00 N ATOM 814 CA LEU A 56 3.451 6.197 7.258 1.00 0.00 C ATOM 815 C LEU A 56 4.852 5.940 7.803 1.00 0.00 C ATOM 816 O LEU A 56 5.530 6.859 8.264 1.00 0.00 O ATOM 817 CB LEU A 56 3.538 6.758 5.838 1.00 0.00 C ATOM 818 CG LEU A 56 3.844 5.744 4.734 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.661 4.811 4.524 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.199 6.458 3.438 1.00 0.00 C ATOM 0 H LEU A 56 2.430 7.984 7.665 1.00 0.00 H new ATOM 0 HA LEU A 56 2.911 5.251 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.592 7.247 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.308 7.529 5.820 1.00 0.00 H new ATOM 0 HG LEU A 56 4.702 5.146 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.897 4.097 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.452 4.274 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.785 5.393 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.414 5.721 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.361 7.081 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.077 7.084 3.596 1.00 0.00 H new ATOM 832 N LEU A 57 5.283 4.684 7.744 1.00 0.00 N ATOM 833 CA LEU A 57 6.605 4.305 8.229 1.00 0.00 C ATOM 834 C LEU A 57 7.301 3.373 7.242 1.00 0.00 C ATOM 835 O LEU A 57 6.683 2.878 6.300 1.00 0.00 O ATOM 836 CB LEU A 57 6.494 3.627 9.596 1.00 0.00 C ATOM 837 CG LEU A 57 6.395 4.562 10.802 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.590 3.911 11.917 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.783 4.942 11.297 1.00 0.00 C ATOM 0 H LEU A 57 4.736 3.911 7.365 1.00 0.00 H new ATOM 0 HA LEU A 57 7.202 5.212 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.616 2.981 9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.363 2.982 9.731 1.00 0.00 H new ATOM 0 HG LEU A 57 5.880 5.471 10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.530 4.591 12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.585 3.689 11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.078 2.986 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.694 5.608 12.155 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.324 4.042 11.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.327 5.449 10.500 1.00 0.00 H new ATOM 851 N ASP A 58 8.589 3.138 7.466 1.00 0.00 N ATOM 852 CA ASP A 58 9.368 2.263 6.598 1.00 0.00 C ATOM 853 C ASP A 58 9.073 0.797 6.898 1.00 0.00 C ATOM 854 O ASP A 58 8.857 0.419 8.049 1.00 0.00 O ATOM 855 CB ASP A 58 10.863 2.540 6.768 1.00 0.00 C ATOM 856 CG ASP A 58 11.332 2.328 8.194 1.00 0.00 C ATOM 857 OD1 ASP A 58 10.961 3.140 9.067 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.071 1.351 8.436 1.00 0.00 O ATOM 0 H ASP A 58 9.116 3.541 8.241 1.00 0.00 H new ATOM 0 HA ASP A 58 9.083 2.469 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.428 1.888 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.076 3.566 6.467 1.00 0.00 H new ATOM 863 N GLY A 59 9.063 -0.026 5.853 1.00 0.00 N ATOM 864 CA GLY A 59 8.791 -1.441 6.026 1.00 0.00 C ATOM 865 C GLY A 59 7.329 -1.781 5.816 1.00 0.00 C ATOM 866 O GLY A 59 6.958 -2.954 5.762 1.00 0.00 O ATOM 0 H GLY A 59 9.238 0.262 4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.398 -2.013 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.091 -1.745 7.029 1.00 0.00 H new ATOM 870 N ASP A 60 6.495 -0.753 5.699 1.00 0.00 N ATOM 871 CA ASP A 60 5.065 -0.948 5.495 1.00 0.00 C ATOM 872 C ASP A 60 4.767 -1.305 4.042 1.00 0.00 C ATOM 873 O ASP A 60 5.421 -0.810 3.124 1.00 0.00 O ATOM 874 CB ASP A 60 4.295 0.313 5.891 1.00 0.00 C ATOM 875 CG ASP A 60 4.253 0.518 7.392 1.00 0.00 C ATOM 876 OD1 ASP A 60 3.339 -0.032 8.042 1.00 0.00 O ATOM 877 OD2 ASP A 60 5.135 1.228 7.918 1.00 0.00 O ATOM 0 H ASP A 60 6.785 0.224 5.742 1.00 0.00 H new ATOM 0 HA ASP A 60 4.742 -1.775 6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.759 1.181 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.277 0.249 5.507 1.00 0.00 H new ATOM 882 N ARG A 61 3.777 -2.168 3.841 1.00 0.00 N ATOM 883 CA ARG A 61 3.394 -2.594 2.500 1.00 0.00 C ATOM 884 C ARG A 61 2.011 -2.063 2.135 1.00 0.00 C ATOM 885 O ARG A 61 1.127 -1.967 2.987 1.00 0.00 O ATOM 886 CB ARG A 61 3.409 -4.120 2.403 1.00 0.00 C ATOM 887 CG ARG A 61 4.764 -4.694 2.021 1.00 0.00 C ATOM 888 CD ARG A 61 5.655 -4.875 3.240 1.00 0.00 C ATOM 889 NE ARG A 61 6.629 -5.947 3.052 1.00 0.00 N ATOM 890 CZ ARG A 61 7.435 -6.384 4.013 1.00 0.00 C ATOM 891 NH1 ARG A 61 7.383 -5.845 5.223 1.00 0.00 N ATOM 892 NH2 ARG A 61 8.294 -7.364 3.764 1.00 0.00 N ATOM 0 H ARG A 61 3.225 -2.586 4.590 1.00 0.00 H new ATOM 0 HA ARG A 61 4.118 -2.185 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.104 -4.539 3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.670 -4.436 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.627 -5.654 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.253 -4.032 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.179 -3.942 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.037 -5.095 4.111 1.00 0.00 H new ATOM 0 HE ARG A 61 6.694 -6.384 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.723 -5.092 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.003 -6.183 5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.335 -7.782 2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.913 -7.699 4.502 1.00 0.00 H new ATOM 906 N VAL A 62 1.831 -1.719 0.864 1.00 0.00 N ATOM 907 CA VAL A 62 0.556 -1.198 0.386 1.00 0.00 C ATOM 908 C VAL A 62 -0.320 -2.316 -0.170 1.00 0.00 C ATOM 909 O VAL A 62 0.095 -3.063 -1.056 1.00 0.00 O ATOM 910 CB VAL A 62 0.759 -0.130 -0.705 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.875 -0.540 -1.653 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.537 0.108 -1.465 1.00 0.00 C ATOM 0 H VAL A 62 2.552 -1.792 0.147 1.00 0.00 H new ATOM 0 HA VAL A 62 0.059 -0.742 1.242 1.00 0.00 H new ATOM 0 HB VAL A 62 1.049 0.805 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.004 0.227 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.804 -0.655 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.619 -1.487 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.375 0.865 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.859 -0.821 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.307 0.451 -0.773 1.00 0.00 H new ATOM 922 N LEU A 63 -1.535 -2.424 0.357 1.00 0.00 N ATOM 923 CA LEU A 63 -2.472 -3.451 -0.087 1.00 0.00 C ATOM 924 C LEU A 63 -3.226 -2.998 -1.333 1.00 0.00 C ATOM 925 O LEU A 63 -3.325 -3.737 -2.313 1.00 0.00 O ATOM 926 CB LEU A 63 -3.463 -3.782 1.031 1.00 0.00 C ATOM 927 CG LEU A 63 -2.852 -4.205 2.367 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.848 -4.002 3.498 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.396 -5.655 2.309 1.00 0.00 C ATOM 0 H LEU A 63 -1.894 -1.814 1.091 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.902 -4.346 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.091 -2.908 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.117 -4.582 0.684 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.981 -3.579 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.395 -4.309 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.125 -2.949 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.738 -4.602 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.964 -5.939 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.250 -6.297 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.647 -5.770 1.525 1.00 0.00 H new ATOM 941 N ARG A 64 -3.754 -1.779 -1.289 1.00 0.00 N ATOM 942 CA ARG A 64 -4.498 -1.228 -2.415 1.00 0.00 C ATOM 943 C ARG A 64 -4.127 0.234 -2.648 1.00 0.00 C ATOM 944 O ARG A 64 -3.960 1.001 -1.699 1.00 0.00 O ATOM 945 CB ARG A 64 -6.003 -1.350 -2.169 1.00 0.00 C ATOM 946 CG ARG A 64 -6.510 -2.783 -2.198 1.00 0.00 C ATOM 947 CD ARG A 64 -7.999 -2.852 -1.899 1.00 0.00 C ATOM 948 NE ARG A 64 -8.619 -4.040 -2.481 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.843 -4.189 -3.782 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.498 -3.232 -4.632 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.411 -5.299 -4.235 1.00 0.00 N ATOM 0 H ARG A 64 -3.680 -1.155 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.235 -1.799 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.242 -0.909 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.534 -0.770 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.314 -3.220 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.963 -3.379 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.152 -2.855 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.489 -1.960 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.895 -4.796 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.059 -2.378 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.671 -3.350 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.676 -6.038 -3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.583 -5.413 -5.234 1.00 0.00 H new ATOM 965 N ILE A 65 -3.999 0.612 -3.915 1.00 0.00 N ATOM 966 CA ILE A 65 -3.648 1.981 -4.272 1.00 0.00 C ATOM 967 C ILE A 65 -4.836 2.709 -4.891 1.00 0.00 C ATOM 968 O ILE A 65 -5.411 2.253 -5.879 1.00 0.00 O ATOM 969 CB ILE A 65 -2.466 2.020 -5.258 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.721 3.352 -5.143 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.956 1.803 -6.682 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.629 4.560 -5.210 1.00 0.00 C ATOM 0 H ILE A 65 -4.133 -0.011 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.357 2.483 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.775 1.215 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.172 3.372 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.984 3.417 -5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.109 1.833 -7.367 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.446 0.832 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.665 2.588 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.033 5.468 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.159 4.564 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.350 4.519 -4.394 1.00 0.00 H new ATOM 984 N ASN A 66 -5.199 3.845 -4.304 1.00 0.00 N ATOM 985 CA ASN A 66 -6.318 4.638 -4.799 1.00 0.00 C ATOM 986 C ASN A 66 -7.530 3.754 -5.076 1.00 0.00 C ATOM 987 O ASN A 66 -8.381 4.089 -5.899 1.00 0.00 O ATOM 988 CB ASN A 66 -5.917 5.387 -6.071 1.00 0.00 C ATOM 989 CG ASN A 66 -6.808 6.584 -6.343 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.740 6.509 -7.143 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.523 7.696 -5.676 1.00 0.00 N ATOM 0 H ASN A 66 -4.734 4.237 -3.485 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.587 5.362 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.883 5.720 -5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.961 4.705 -6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.087 8.534 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.740 7.712 -5.022 1.00 0.00 H new ATOM 998 N GLY A 67 -7.602 2.622 -4.383 1.00 0.00 N ATOM 999 CA GLY A 67 -8.713 1.707 -4.568 1.00 0.00 C ATOM 1000 C GLY A 67 -8.430 0.657 -5.624 1.00 0.00 C ATOM 1001 O GLY A 67 -9.352 0.115 -6.235 1.00 0.00 O ATOM 0 H GLY A 67 -6.910 2.322 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.936 1.215 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.602 2.272 -4.851 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.151 0.369 -5.843 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.748 -0.622 -6.833 1.00 0.00 C ATOM 1007 C VAL A 68 -5.711 -1.582 -6.260 1.00 0.00 C ATOM 1008 O VAL A 68 -4.586 -1.187 -5.954 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.170 0.047 -8.094 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.836 -0.998 -9.148 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.145 1.077 -8.644 1.00 0.00 C ATOM 0 H VAL A 68 -6.376 0.809 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.644 -1.180 -7.105 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.248 0.561 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.429 -0.506 -10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.099 -1.695 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.740 -1.542 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.721 1.540 -9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.084 0.588 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.329 1.842 -7.890 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.097 -2.845 -6.117 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.201 -3.863 -5.580 1.00 0.00 C ATOM 1023 C PHE A 69 -3.944 -3.987 -6.436 1.00 0.00 C ATOM 1024 O PHE A 69 -3.997 -4.454 -7.574 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.916 -5.214 -5.505 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.229 -6.206 -4.612 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.283 -6.072 -3.234 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.529 -7.274 -5.150 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.650 -6.984 -2.410 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -3.895 -8.190 -4.331 1.00 0.00 C ATOM 1031 CZ PHE A 69 -3.957 -8.044 -2.959 1.00 0.00 C ATOM 0 H PHE A 69 -7.025 -3.189 -6.365 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.907 -3.559 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.934 -5.058 -5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.992 -5.632 -6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.826 -5.246 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.478 -7.392 -6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.698 -6.867 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.352 -9.018 -4.763 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.464 -8.758 -2.316 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.813 -3.564 -5.880 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.542 -3.627 -6.591 1.00 0.00 C ATOM 1043 C VAL A 70 -0.534 -4.489 -5.838 1.00 0.00 C ATOM 1044 O VAL A 70 0.613 -4.088 -5.636 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.945 -2.223 -6.800 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.841 -1.392 -7.706 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.734 -1.529 -5.463 1.00 0.00 C ATOM 0 H VAL A 70 -2.751 -3.174 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.745 -4.075 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 70 0.025 -2.328 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.403 -0.403 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.936 -1.884 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.827 -1.293 -7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.312 -0.538 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.690 -1.434 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.049 -2.117 -4.852 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.969 -5.674 -5.425 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.104 -6.594 -4.696 1.00 0.00 C ATOM 1059 C ASP A 71 0.801 -7.363 -5.652 1.00 0.00 C ATOM 1060 O ASP A 71 1.935 -7.703 -5.314 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.944 -7.572 -3.871 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.174 -8.152 -2.701 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.176 -7.384 -1.781 1.00 0.00 O ATOM 1064 OD2 ASP A 71 0.078 -9.375 -2.706 1.00 0.00 O ATOM 0 H ASP A 71 -1.915 -6.020 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 71 0.523 -6.008 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.832 -7.060 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.288 -8.383 -4.513 1.00 0.00 H new ATOM 1069 N LYS A 72 0.293 -7.636 -6.849 1.00 0.00 N ATOM 1070 CA LYS A 72 1.054 -8.365 -7.856 1.00 0.00 C ATOM 1071 C LYS A 72 1.485 -7.439 -8.989 1.00 0.00 C ATOM 1072 O LYS A 72 2.432 -7.733 -9.717 1.00 0.00 O ATOM 1073 CB LYS A 72 0.223 -9.521 -8.416 1.00 0.00 C ATOM 1074 CG LYS A 72 0.921 -10.292 -9.523 1.00 0.00 C ATOM 1075 CD LYS A 72 2.010 -11.197 -8.972 1.00 0.00 C ATOM 1076 CE LYS A 72 3.368 -10.512 -8.994 1.00 0.00 C ATOM 1077 NZ LYS A 72 3.978 -10.536 -10.353 1.00 0.00 N ATOM 0 H LYS A 72 -0.644 -7.363 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 72 1.948 -8.766 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.022 -10.207 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.720 -9.128 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.190 -10.890 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.355 -9.592 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.763 -11.485 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.054 -12.114 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.260 -9.479 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.035 -11.005 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.902 -10.060 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.105 -11.522 -10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.353 -10.043 -11.023 1.00 0.00 H new ATOM 1091 N GLU A 73 0.782 -6.319 -9.132 1.00 0.00 N ATOM 1092 CA GLU A 73 1.093 -5.351 -10.176 1.00 0.00 C ATOM 1093 C GLU A 73 2.574 -4.984 -10.155 1.00 0.00 C ATOM 1094 O GLU A 73 3.282 -5.278 -9.192 1.00 0.00 O ATOM 1095 CB GLU A 73 0.242 -4.090 -10.003 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.237 -4.313 -10.271 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.551 -4.429 -11.750 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -0.668 -4.876 -12.511 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.681 -4.074 -12.145 1.00 0.00 O ATOM 0 H GLU A 73 -0.006 -6.061 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 73 0.863 -5.808 -11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.366 -3.715 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.612 -3.317 -10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.562 -5.221 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.808 -3.488 -9.846 1.00 0.00 H new ATOM 1106 N GLU A 74 3.034 -4.342 -11.224 1.00 0.00 N ATOM 1107 CA GLU A 74 4.431 -3.938 -11.329 1.00 0.00 C ATOM 1108 C GLU A 74 4.617 -2.496 -10.863 1.00 0.00 C ATOM 1109 O GLU A 74 3.683 -1.695 -10.901 1.00 0.00 O ATOM 1110 CB GLU A 74 4.922 -4.086 -12.770 1.00 0.00 C ATOM 1111 CG GLU A 74 5.511 -5.453 -13.075 1.00 0.00 C ATOM 1112 CD GLU A 74 5.357 -5.843 -14.532 1.00 0.00 C ATOM 1113 OE1 GLU A 74 4.359 -5.426 -15.156 1.00 0.00 O ATOM 1114 OE2 GLU A 74 6.235 -6.566 -15.048 1.00 0.00 O ATOM 0 H GLU A 74 2.460 -4.091 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 74 5.020 -4.590 -10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.091 -3.898 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.675 -3.323 -12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.569 -5.455 -12.812 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.025 -6.202 -12.449 1.00 0.00 H new ATOM 1121 N HIS A 75 5.829 -2.174 -10.422 1.00 0.00 N ATOM 1122 CA HIS A 75 6.138 -0.830 -9.949 1.00 0.00 C ATOM 1123 C HIS A 75 5.645 0.222 -10.938 1.00 0.00 C ATOM 1124 O HIS A 75 5.080 1.242 -10.545 1.00 0.00 O ATOM 1125 CB HIS A 75 7.643 -0.676 -9.731 1.00 0.00 C ATOM 1126 CG HIS A 75 8.091 0.749 -9.624 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.364 1.718 -8.964 1.00 0.00 N ATOM 1128 CD2 HIS A 75 9.199 1.367 -10.095 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.005 2.871 -9.036 1.00 0.00 C ATOM 1130 NE2 HIS A 75 9.122 2.685 -9.717 1.00 0.00 N ATOM 0 H HIS A 75 6.613 -2.826 -10.383 1.00 0.00 H new ATOM 0 HA HIS A 75 5.624 -0.679 -9.000 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.926 -1.206 -8.822 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.172 -1.153 -10.556 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.996 0.909 -10.663 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.673 3.806 -8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.815 3.404 -9.928 1.00 0.00 H new ATOM 1139 N ALA A 76 5.863 -0.034 -12.224 1.00 0.00 N ATOM 1140 CA ALA A 76 5.440 0.889 -13.269 1.00 0.00 C ATOM 1141 C ALA A 76 3.921 1.013 -13.310 1.00 0.00 C ATOM 1142 O ALA A 76 3.384 2.061 -13.668 1.00 0.00 O ATOM 1143 CB ALA A 76 5.971 0.435 -14.621 1.00 0.00 C ATOM 0 H ALA A 76 6.330 -0.873 -12.567 1.00 0.00 H new ATOM 0 HA ALA A 76 5.853 1.872 -13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.647 1.134 -15.392 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.060 0.405 -14.593 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.586 -0.559 -14.848 1.00 0.00 H new ATOM 1149 N GLN A 77 3.234 -0.064 -12.943 1.00 0.00 N ATOM 1150 CA GLN A 77 1.776 -0.076 -12.940 1.00 0.00 C ATOM 1151 C GLN A 77 1.227 0.786 -11.808 1.00 0.00 C ATOM 1152 O GLN A 77 0.188 1.431 -11.952 1.00 0.00 O ATOM 1153 CB GLN A 77 1.256 -1.508 -12.805 1.00 0.00 C ATOM 1154 CG GLN A 77 1.656 -2.413 -13.959 1.00 0.00 C ATOM 1155 CD GLN A 77 1.048 -1.979 -15.278 1.00 0.00 C ATOM 1156 OE1 GLN A 77 1.758 -1.567 -16.196 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.273 -2.069 -15.380 1.00 0.00 N ATOM 0 H GLN A 77 3.664 -0.939 -12.644 1.00 0.00 H new ATOM 0 HA GLN A 77 1.433 0.339 -13.888 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.629 -1.935 -11.874 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.169 -1.485 -12.732 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.742 -2.422 -14.049 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.346 -3.435 -13.739 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.823 -2.416 -14.594 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.738 -1.791 -16.244 1.00 0.00 H new ATOM 1166 N VAL A 78 1.932 0.794 -10.681 1.00 0.00 N ATOM 1167 CA VAL A 78 1.516 1.577 -9.524 1.00 0.00 C ATOM 1168 C VAL A 78 1.900 3.044 -9.687 1.00 0.00 C ATOM 1169 O VAL A 78 1.040 3.924 -9.706 1.00 0.00 O ATOM 1170 CB VAL A 78 2.141 1.035 -8.225 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.623 1.806 -7.021 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.857 -0.452 -8.078 1.00 0.00 C ATOM 0 H VAL A 78 2.794 0.267 -10.545 1.00 0.00 H new ATOM 0 HA VAL A 78 0.431 1.493 -9.458 1.00 0.00 H new ATOM 0 HB VAL A 78 3.221 1.172 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.076 1.409 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.882 2.860 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.540 1.703 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.306 -0.819 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.780 -0.615 -8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.282 -0.989 -8.926 1.00 0.00 H new ATOM 1182 N VAL A 79 3.199 3.300 -9.804 1.00 0.00 N ATOM 1183 CA VAL A 79 3.699 4.660 -9.967 1.00 0.00 C ATOM 1184 C VAL A 79 2.727 5.509 -10.778 1.00 0.00 C ATOM 1185 O VAL A 79 2.482 6.670 -10.453 1.00 0.00 O ATOM 1186 CB VAL A 79 5.075 4.673 -10.658 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.934 4.346 -12.136 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.755 6.021 -10.465 1.00 0.00 C ATOM 0 H VAL A 79 3.924 2.583 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 79 3.799 5.083 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 79 5.700 3.907 -10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.917 4.360 -12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.491 3.356 -12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.292 5.087 -12.613 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.726 6.013 -10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.135 6.807 -10.897 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.892 6.210 -9.400 1.00 0.00 H new ATOM 1198 N GLU A 80 2.175 4.920 -11.834 1.00 0.00 N ATOM 1199 CA GLU A 80 1.229 5.624 -12.692 1.00 0.00 C ATOM 1200 C GLU A 80 -0.058 5.943 -11.936 1.00 0.00 C ATOM 1201 O GLU A 80 -0.559 7.068 -11.988 1.00 0.00 O ATOM 1202 CB GLU A 80 0.910 4.786 -13.932 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.121 5.424 -14.849 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.442 4.561 -16.054 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.434 3.774 -16.470 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.569 4.673 -16.581 1.00 0.00 O ATOM 0 H GLU A 80 2.366 3.958 -12.116 1.00 0.00 H new ATOM 0 HA GLU A 80 1.689 6.562 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.829 4.619 -14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.547 3.808 -13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.036 5.611 -14.287 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.249 6.392 -15.188 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.588 4.947 -11.236 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.817 5.120 -10.470 1.00 0.00 C ATOM 1215 C LEU A 81 -1.662 6.229 -9.434 1.00 0.00 C ATOM 1216 O LEU A 81 -2.521 7.103 -9.311 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.198 3.810 -9.777 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.881 2.761 -10.655 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.817 1.391 -9.997 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.325 3.154 -10.930 1.00 0.00 C ATOM 0 H LEU A 81 -0.186 4.011 -11.183 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.610 5.403 -11.162 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.295 3.369 -9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.859 4.043 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.351 2.711 -11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.308 0.657 -10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.775 1.106 -9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.322 1.427 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.795 2.396 -11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.866 3.233 -9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.349 4.115 -11.444 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.559 6.190 -8.693 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.288 7.193 -7.671 1.00 0.00 C ATOM 1234 C VAL A 82 -0.219 8.591 -8.277 1.00 0.00 C ATOM 1235 O VAL A 82 -0.571 9.577 -7.631 1.00 0.00 O ATOM 1236 CB VAL A 82 1.031 6.900 -6.931 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.276 7.936 -5.845 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.012 5.496 -6.346 1.00 0.00 C ATOM 0 H VAL A 82 0.162 5.474 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.112 7.149 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 82 1.851 6.960 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.212 7.712 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.336 8.927 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.456 7.912 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.951 5.305 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.184 5.406 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.887 4.769 -7.149 1.00 0.00 H new ATOM 1248 N ARG A 83 0.238 8.667 -9.523 1.00 0.00 N ATOM 1249 CA ARG A 83 0.355 9.944 -10.217 1.00 0.00 C ATOM 1250 C ARG A 83 -1.022 10.494 -10.579 1.00 0.00 C ATOM 1251 O ARG A 83 -1.408 11.575 -10.134 1.00 0.00 O ATOM 1252 CB ARG A 83 1.202 9.786 -11.481 1.00 0.00 C ATOM 1253 CG ARG A 83 1.103 10.968 -12.431 1.00 0.00 C ATOM 1254 CD ARG A 83 2.366 11.118 -13.266 1.00 0.00 C ATOM 1255 NE ARG A 83 3.416 11.832 -12.546 1.00 0.00 N ATOM 1256 CZ ARG A 83 4.530 12.275 -13.119 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.737 12.077 -14.413 1.00 0.00 N ATOM 1258 NH2 ARG A 83 5.440 12.916 -12.396 1.00 0.00 N ATOM 0 H ARG A 83 0.533 7.860 -10.072 1.00 0.00 H new ATOM 0 HA ARG A 83 0.844 10.650 -9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.244 9.647 -11.195 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.892 8.882 -12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.244 10.837 -13.089 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.931 11.881 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.730 10.132 -13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.131 11.652 -14.187 1.00 0.00 H new ATOM 0 HE ARG A 83 3.288 12.000 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.040 11.584 -14.971 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.593 12.418 -14.851 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.284 13.069 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.295 13.256 -12.837 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.758 9.742 -11.390 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.092 10.152 -11.813 1.00 0.00 C ATOM 1274 C LYS A 84 -4.015 10.325 -10.611 1.00 0.00 C ATOM 1275 O LYS A 84 -4.905 11.175 -10.617 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.683 9.122 -12.778 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.978 7.781 -12.130 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.392 6.743 -13.160 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.819 6.966 -13.635 1.00 0.00 C ATOM 1280 NZ LYS A 84 -5.901 8.049 -14.654 1.00 0.00 N ATOM 0 H LYS A 84 -1.453 8.845 -11.768 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.005 11.111 -12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.604 9.521 -13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.989 8.972 -13.605 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.095 7.432 -11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.771 7.899 -11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.713 6.784 -14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.303 5.746 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.210 6.040 -14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.450 7.220 -12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.332 8.894 -14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.945 8.280 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.484 7.729 -15.454 1.00 0.00 H new ATOM 1294 N SER A 85 -3.795 9.515 -9.580 1.00 0.00 N ATOM 1295 CA SER A 85 -4.608 9.578 -8.371 1.00 0.00 C ATOM 1296 C SER A 85 -5.007 11.017 -8.059 1.00 0.00 C ATOM 1297 O SER A 85 -6.186 11.322 -7.887 1.00 0.00 O ATOM 1298 CB SER A 85 -3.846 8.979 -7.187 1.00 0.00 C ATOM 1299 OG SER A 85 -3.974 7.568 -7.159 1.00 0.00 O ATOM 0 H SER A 85 -3.061 8.808 -9.558 1.00 0.00 H new ATOM 0 HA SER A 85 -5.515 8.997 -8.541 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.792 9.250 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.225 9.400 -6.256 1.00 0.00 H new ATOM 0 HG SER A 85 -3.683 7.196 -8.018 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.014 11.898 -7.988 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.281 13.294 -7.696 1.00 0.00 C ATOM 1307 C GLY A 86 -3.611 13.758 -6.418 1.00 0.00 C ATOM 1308 O GLY A 86 -3.021 12.958 -5.693 1.00 0.00 O ATOM 0 H GLY A 86 -3.030 11.670 -8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.935 13.908 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.357 13.445 -7.614 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.702 15.054 -6.141 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.098 15.624 -4.941 1.00 0.00 C ATOM 1314 C ASN A 87 -3.371 14.744 -3.725 1.00 0.00 C ATOM 1315 O ASN A 87 -2.513 14.586 -2.856 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.636 17.035 -4.695 1.00 0.00 C ATOM 1317 CG ASN A 87 -2.800 18.099 -5.379 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -2.404 19.087 -4.760 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.529 17.903 -6.665 1.00 0.00 N ATOM 0 H ASN A 87 -4.188 15.730 -6.730 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.020 15.676 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.663 17.097 -5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.661 17.230 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.972 18.586 -7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.878 17.070 -7.138 1.00 0.00 H new ATOM 1326 N SER A 88 -4.570 14.173 -3.671 1.00 0.00 N ATOM 1327 CA SER A 88 -4.957 13.311 -2.560 1.00 0.00 C ATOM 1328 C SER A 88 -4.968 11.846 -2.987 1.00 0.00 C ATOM 1329 O SER A 88 -5.723 11.452 -3.876 1.00 0.00 O ATOM 1330 CB SER A 88 -6.337 13.711 -2.034 1.00 0.00 C ATOM 1331 OG SER A 88 -7.325 13.578 -3.041 1.00 0.00 O ATOM 0 H SER A 88 -5.290 14.292 -4.383 1.00 0.00 H new ATOM 0 HA SER A 88 -4.223 13.434 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.598 13.087 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.310 14.742 -1.680 1.00 0.00 H new ATOM 0 HG SER A 88 -7.137 12.782 -3.581 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.124 11.044 -2.346 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.036 9.622 -2.657 1.00 0.00 C ATOM 1339 C VAL A 89 -4.295 8.771 -1.419 1.00 0.00 C ATOM 1340 O VAL A 89 -3.921 9.143 -0.307 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.656 9.258 -3.237 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.647 7.820 -3.732 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.278 10.218 -4.355 1.00 0.00 C ATOM 0 H VAL A 89 -3.492 11.354 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.802 9.414 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.913 9.349 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.664 7.581 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.870 7.148 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.400 7.698 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.300 9.946 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.022 10.162 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.241 11.235 -3.964 1.00 0.00 H new ATOM 1353 N THR A 90 -4.939 7.625 -1.619 1.00 0.00 N ATOM 1354 CA THR A 90 -5.249 6.721 -0.519 1.00 0.00 C ATOM 1355 C THR A 90 -4.377 5.472 -0.572 1.00 0.00 C ATOM 1356 O THR A 90 -4.067 4.964 -1.650 1.00 0.00 O ATOM 1357 CB THR A 90 -6.731 6.300 -0.538 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.568 7.460 -0.604 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.079 5.487 0.699 1.00 0.00 C ATOM 0 H THR A 90 -5.256 7.301 -2.533 1.00 0.00 H new ATOM 0 HA THR A 90 -5.045 7.264 0.404 1.00 0.00 H new ATOM 0 HB THR A 90 -6.899 5.680 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.508 7.185 -0.617 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.130 5.201 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.460 4.590 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.896 6.086 1.591 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.986 4.980 0.598 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.149 3.788 0.686 1.00 0.00 C ATOM 1369 C LEU A 91 -3.496 2.969 1.926 1.00 0.00 C ATOM 1370 O LEU A 91 -3.717 3.520 3.005 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.671 4.179 0.716 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.206 5.132 -0.386 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.256 5.501 -0.191 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.422 4.508 -1.757 1.00 0.00 C ATOM 0 H LEU A 91 -4.235 5.388 1.499 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.338 3.176 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.457 4.639 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.074 3.269 0.658 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.801 6.044 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.569 6.180 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.382 5.990 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.866 4.599 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.086 5.200 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.854 3.581 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.482 4.296 -1.897 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.539 1.651 1.765 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.856 0.755 2.872 1.00 0.00 C ATOM 1388 C LEU A 92 -2.618 -0.015 3.320 1.00 0.00 C ATOM 1389 O LEU A 92 -2.110 -0.871 2.596 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.959 -0.223 2.462 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.348 0.381 2.256 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.265 -0.614 1.561 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.943 0.818 3.587 1.00 0.00 C ATOM 0 H LEU A 92 -3.358 1.179 0.879 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.207 1.360 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.657 -0.713 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.031 -0.999 3.225 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.250 1.260 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.249 -0.167 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.847 -0.877 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.357 -1.512 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.932 1.246 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -7.027 -0.044 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.297 1.566 4.046 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.139 0.293 4.521 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.963 -0.372 5.069 1.00 0.00 C ATOM 1407 C VAL A 93 -1.356 -1.415 6.109 1.00 0.00 C ATOM 1408 O VAL A 93 -2.278 -1.204 6.898 1.00 0.00 O ATOM 1409 CB VAL A 93 0.006 0.638 5.711 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.475 1.657 4.683 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.654 1.329 6.895 1.00 0.00 C ATOM 0 H VAL A 93 -2.548 0.999 5.133 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.462 -0.865 4.236 1.00 0.00 H new ATOM 0 HB VAL A 93 0.879 0.097 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.159 2.362 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.988 1.144 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.385 2.196 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.044 2.039 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.545 1.858 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.935 0.585 7.640 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.650 -2.541 6.106 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.924 -3.618 7.050 1.00 0.00 C ATOM 1423 C LEU A 94 0.259 -3.835 7.988 1.00 0.00 C ATOM 1424 O LEU A 94 1.371 -3.381 7.715 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.239 -4.913 6.299 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.918 -6.014 7.115 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.230 -5.514 7.699 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.150 -7.249 6.256 1.00 0.00 C ATOM 0 H LEU A 94 0.116 -2.731 5.460 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.789 -3.332 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.878 -4.671 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.308 -5.310 5.894 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.259 -6.288 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.699 -6.311 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.037 -4.661 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.896 -5.211 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.634 -8.022 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.789 -6.990 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.194 -7.621 5.887 1.00 0.00 H new ATOM 1440 N ASP A 95 0.013 -4.533 9.091 1.00 0.00 N ATOM 1441 CA ASP A 95 1.060 -4.813 10.067 1.00 0.00 C ATOM 1442 C ASP A 95 1.894 -6.016 9.639 1.00 0.00 C ATOM 1443 O ASP A 95 1.373 -6.977 9.074 1.00 0.00 O ATOM 1444 CB ASP A 95 0.446 -5.067 11.445 1.00 0.00 C ATOM 1445 CG ASP A 95 1.428 -4.813 12.572 1.00 0.00 C ATOM 1446 OD1 ASP A 95 2.364 -5.623 12.738 1.00 0.00 O ATOM 1447 OD2 ASP A 95 1.261 -3.803 13.287 1.00 0.00 O ATOM 0 H ASP A 95 -0.902 -4.915 9.332 1.00 0.00 H new ATOM 0 HA ASP A 95 1.713 -3.942 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.426 -4.426 11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.094 -6.097 11.499 1.00 0.00 H new ATOM 1452 N GLY A 96 3.194 -5.955 9.912 1.00 0.00 N ATOM 1453 CA GLY A 96 4.081 -7.045 9.547 1.00 0.00 C ATOM 1454 C GLY A 96 3.520 -8.401 9.928 1.00 0.00 C ATOM 1455 O GLY A 96 3.092 -9.168 9.066 1.00 0.00 O ATOM 0 H GLY A 96 3.649 -5.171 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.261 -7.019 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.045 -6.904 10.035 1.00 0.00 H new ATOM 1459 N ASP A 97 3.524 -8.698 11.223 1.00 0.00 N ATOM 1460 CA ASP A 97 3.013 -9.971 11.717 1.00 0.00 C ATOM 1461 C ASP A 97 1.772 -10.397 10.939 1.00 0.00 C ATOM 1462 O ASP A 97 1.682 -11.529 10.464 1.00 0.00 O ATOM 1463 CB ASP A 97 2.685 -9.870 13.207 1.00 0.00 C ATOM 1464 CG ASP A 97 3.866 -10.234 14.086 1.00 0.00 C ATOM 1465 OD1 ASP A 97 4.995 -9.800 13.772 1.00 0.00 O ATOM 1466 OD2 ASP A 97 3.662 -10.951 15.087 1.00 0.00 O ATOM 0 H ASP A 97 3.876 -8.074 11.949 1.00 0.00 H new ATOM 0 HA ASP A 97 3.787 -10.725 11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.364 -8.854 13.437 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.848 -10.529 13.437 1.00 0.00 H new ATOM 1471 N SER A 98 0.816 -9.482 10.813 1.00 0.00 N ATOM 1472 CA SER A 98 -0.423 -9.764 10.096 1.00 0.00 C ATOM 1473 C SER A 98 -0.132 -10.343 8.715 1.00 0.00 C ATOM 1474 O SER A 98 -0.497 -11.480 8.417 1.00 0.00 O ATOM 1475 CB SER A 98 -1.261 -8.491 9.962 1.00 0.00 C ATOM 1476 OG SER A 98 -2.458 -8.742 9.247 1.00 0.00 O ATOM 0 H SER A 98 0.875 -8.539 11.198 1.00 0.00 H new ATOM 0 HA SER A 98 -0.985 -10.502 10.669 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.500 -8.103 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.682 -7.723 9.450 1.00 0.00 H new ATOM 0 HG SER A 98 -2.837 -9.599 9.534 1.00 0.00 H new ATOM 1482 N TYR A 99 0.528 -9.551 7.876 1.00 0.00 N ATOM 1483 CA TYR A 99 0.866 -9.983 6.525 1.00 0.00 C ATOM 1484 C TYR A 99 1.492 -11.374 6.538 1.00 0.00 C ATOM 1485 O TYR A 99 0.883 -12.344 6.086 1.00 0.00 O ATOM 1486 CB TYR A 99 1.827 -8.986 5.875 1.00 0.00 C ATOM 1487 CG TYR A 99 1.840 -9.054 4.365 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.481 -10.094 3.702 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.211 -8.080 3.600 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.496 -10.160 2.323 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.219 -8.139 2.220 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.864 -9.180 1.586 1.00 0.00 C ATOM 1493 OH TYR A 99 1.875 -9.244 0.211 1.00 0.00 O ATOM 0 H TYR A 99 0.839 -8.608 8.108 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.055 -10.024 5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.553 -7.977 6.182 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.835 -9.170 6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.976 -10.864 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.707 -7.262 4.093 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.000 -10.975 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.723 -7.374 1.641 1.00 0.00 H new ATOM 0 HH TYR A 99 1.243 -8.589 -0.152 1.00 0.00 H new ATOM 1503 N GLU A 100 2.711 -11.463 7.060 1.00 0.00 N ATOM 1504 CA GLU A 100 3.419 -12.736 7.132 1.00 0.00 C ATOM 1505 C GLU A 100 2.463 -13.872 7.482 1.00 0.00 C ATOM 1506 O GLU A 100 2.515 -14.949 6.887 1.00 0.00 O ATOM 1507 CB GLU A 100 4.542 -12.662 8.170 1.00 0.00 C ATOM 1508 CG GLU A 100 5.505 -11.509 7.944 1.00 0.00 C ATOM 1509 CD GLU A 100 6.760 -11.623 8.787 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.380 -12.707 8.785 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.121 -10.628 9.449 1.00 0.00 O ATOM 0 H GLU A 100 3.229 -10.670 7.439 1.00 0.00 H new ATOM 0 HA GLU A 100 3.851 -12.938 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.102 -12.567 9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.100 -13.598 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.782 -11.473 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.002 -10.570 8.174 1.00 0.00 H new ATOM 1518 N LYS A 101 1.588 -13.624 8.451 1.00 0.00 N ATOM 1519 CA LYS A 101 0.618 -14.624 8.881 1.00 0.00 C ATOM 1520 C LYS A 101 -0.356 -14.957 7.756 1.00 0.00 C ATOM 1521 O LYS A 101 -0.557 -16.124 7.421 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.152 -14.124 10.105 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.306 -15.026 10.509 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.945 -14.567 11.808 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.264 -15.191 13.016 1.00 0.00 C ATOM 1526 NZ LYS A 101 -1.808 -14.659 14.296 1.00 0.00 N ATOM 0 H LYS A 101 1.531 -12.738 8.954 1.00 0.00 H new ATOM 0 HA LYS A 101 1.162 -15.530 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.537 -14.032 10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.538 -13.126 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.055 -15.036 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.947 -16.049 10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.889 -13.481 11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.002 -14.832 11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.394 -16.273 12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.192 -14.998 12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.318 -15.109 15.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.661 -13.630 14.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.826 -14.866 14.353 1.00 0.00 H new ATOM 1540 N ALA A 102 -0.956 -13.924 7.174 1.00 0.00 N ATOM 1541 CA ALA A 102 -1.905 -14.107 6.083 1.00 0.00 C ATOM 1542 C ALA A 102 -1.251 -14.807 4.897 1.00 0.00 C ATOM 1543 O ALA A 102 -1.625 -15.923 4.537 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.483 -12.766 5.655 1.00 0.00 C ATOM 0 H ALA A 102 -0.802 -12.951 7.440 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.716 -14.741 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.190 -12.918 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.996 -12.305 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.677 -12.113 5.320 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.271 -14.143 4.292 1.00 0.00 N ATOM 1551 CA VAL A 103 0.437 -14.701 3.145 1.00 0.00 C ATOM 1552 C VAL A 103 0.748 -16.178 3.358 1.00 0.00 C ATOM 1553 O VAL A 103 0.787 -16.959 2.406 1.00 0.00 O ATOM 1554 CB VAL A 103 1.751 -13.945 2.874 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.705 -14.093 4.050 1.00 0.00 C ATOM 1556 CG2 VAL A 103 2.395 -14.441 1.588 1.00 0.00 C ATOM 0 H VAL A 103 0.051 -13.218 4.577 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.221 -14.591 2.283 1.00 0.00 H new ATOM 0 HB VAL A 103 1.523 -12.886 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.628 -13.552 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.241 -13.685 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.930 -15.148 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.322 -13.896 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.611 -15.506 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.714 -14.277 0.753 1.00 0.00 H new ATOM 1566 N LYS A 104 0.967 -16.556 4.612 1.00 0.00 N ATOM 1567 CA LYS A 104 1.273 -17.941 4.952 1.00 0.00 C ATOM 1568 C LYS A 104 0.026 -18.813 4.855 1.00 0.00 C ATOM 1569 O LYS A 104 0.067 -19.913 4.304 1.00 0.00 O ATOM 1570 CB LYS A 104 1.858 -18.024 6.364 1.00 0.00 C ATOM 1571 CG LYS A 104 3.369 -17.869 6.406 1.00 0.00 C ATOM 1572 CD LYS A 104 4.071 -19.106 5.872 1.00 0.00 C ATOM 1573 CE LYS A 104 5.531 -18.823 5.553 1.00 0.00 C ATOM 1574 NZ LYS A 104 6.191 -19.986 4.897 1.00 0.00 N ATOM 0 H LYS A 104 0.938 -15.923 5.411 1.00 0.00 H new ATOM 0 HA LYS A 104 2.009 -18.310 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.404 -17.250 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.587 -18.983 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.663 -17.000 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.688 -17.682 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.007 -19.908 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.562 -19.455 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.598 -17.952 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.062 -18.575 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.184 -19.753 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.150 -20.811 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.700 -20.207 4.007 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.083 -18.315 5.393 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.343 -19.049 5.366 1.00 0.00 C ATOM 1590 C ASN A 105 -3.155 -18.690 4.126 1.00 0.00 C ATOM 1591 O ASN A 105 -4.371 -18.875 4.095 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.157 -18.752 6.627 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.384 -19.048 7.898 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -1.833 -20.137 8.063 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.339 -18.078 8.803 1.00 0.00 N ATOM 0 H ASN A 105 -1.134 -17.406 5.853 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.114 -20.114 5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.458 -17.704 6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.071 -19.346 6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.833 -18.219 9.677 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.810 -17.191 8.624 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.474 -18.175 3.108 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.133 -17.789 1.866 1.00 0.00 C ATOM 1604 C GLN A 106 -4.470 -17.111 2.146 1.00 0.00 C ATOM 1605 O GLN A 106 -5.484 -17.434 1.528 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.347 -19.015 0.975 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.157 -19.335 0.085 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.758 -18.169 -0.798 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.447 -17.149 -0.849 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -0.640 -18.312 -1.500 1.00 0.00 N ATOM 0 H GLN A 106 -1.467 -18.015 3.119 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.488 -17.079 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.562 -19.878 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.224 -18.851 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.309 -19.621 0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.397 -20.194 -0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.099 -19.174 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.322 -17.560 -2.111 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.465 -16.169 3.084 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.677 -15.444 3.447 1.00 0.00 C ATOM 1621 C VAL A 107 -5.938 -14.292 2.483 1.00 0.00 C ATOM 1622 O VAL A 107 -5.057 -13.471 2.227 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.591 -14.889 4.881 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.851 -14.111 5.229 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.360 -16.017 5.875 1.00 0.00 C ATOM 0 H VAL A 107 -3.635 -15.890 3.607 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.500 -16.156 3.390 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.744 -14.206 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.772 -13.727 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.968 -13.279 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.717 -14.769 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.302 -15.607 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.186 -16.726 5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.427 -16.527 5.636 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.154 -14.238 1.951 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.532 -13.185 1.015 1.00 0.00 C ATOM 1637 C ASP A 108 -7.243 -11.807 1.602 1.00 0.00 C ATOM 1638 O ASP A 108 -7.765 -11.448 2.659 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.015 -13.300 0.657 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.355 -14.634 0.022 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.901 -15.672 0.546 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.075 -14.639 -0.998 1.00 0.00 O ATOM 0 H ASP A 108 -7.894 -14.910 2.151 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.937 -13.306 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.615 -13.166 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.284 -12.496 -0.028 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.409 -11.038 0.911 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.049 -9.699 1.364 1.00 0.00 C ATOM 1649 C LEU A 109 -6.730 -8.634 0.510 1.00 0.00 C ATOM 1650 O LEU A 109 -6.940 -7.505 0.956 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.531 -9.513 1.315 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.724 -10.318 2.334 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.239 -10.245 2.015 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.994 -9.817 3.745 1.00 0.00 C ATOM 0 H LEU A 109 -5.969 -11.319 0.035 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.390 -9.587 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.184 -9.778 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.310 -8.456 1.459 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.037 -11.360 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.680 -10.824 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.060 -10.653 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.911 -9.206 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.411 -10.402 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.710 -8.767 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.055 -9.922 3.972 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.077 -9.001 -0.719 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.739 -8.079 -1.635 1.00 0.00 C ATOM 1668 C LYS A 110 -9.025 -7.534 -1.023 1.00 0.00 C ATOM 1669 O LYS A 110 -9.484 -6.451 -1.385 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.048 -8.779 -2.960 1.00 0.00 C ATOM 1671 CG LYS A 110 -6.809 -9.238 -3.709 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.108 -10.427 -4.607 1.00 0.00 C ATOM 1673 CE LYS A 110 -5.964 -10.699 -5.572 1.00 0.00 C ATOM 1674 NZ LYS A 110 -6.077 -9.882 -6.811 1.00 0.00 N ATOM 0 H LYS A 110 -6.911 -9.931 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.064 -7.244 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.685 -9.642 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.616 -8.100 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.421 -8.416 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.030 -9.507 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.287 -11.311 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.023 -10.239 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.015 -10.484 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.954 -11.757 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.564 -10.351 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.079 -9.782 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.667 -8.941 -6.645 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.601 -8.292 -0.095 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.835 -7.883 0.566 1.00 0.00 C ATOM 1690 C GLU A 111 -10.571 -6.756 1.561 1.00 0.00 C ATOM 1691 O GLU A 111 -11.403 -5.866 1.743 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.473 -9.073 1.285 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.766 -10.251 0.371 1.00 0.00 C ATOM 1694 CD GLU A 111 -13.105 -10.128 -0.330 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.146 -9.540 -1.431 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -14.112 -10.618 0.223 1.00 0.00 O ATOM 0 H GLU A 111 -9.233 -9.191 0.216 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.522 -7.518 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.810 -9.401 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.402 -8.748 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.976 -10.332 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.749 -11.172 0.954 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.409 -6.801 2.202 1.00 0.00 N ATOM 1704 CA LEU A 112 -9.034 -5.785 3.180 1.00 0.00 C ATOM 1705 C LEU A 112 -9.337 -4.386 2.653 1.00 0.00 C ATOM 1706 O LEU A 112 -8.496 -3.759 2.008 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.548 -5.903 3.523 1.00 0.00 C ATOM 1708 CG LEU A 112 -7.079 -7.274 4.010 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.580 -7.265 4.265 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.834 -7.681 5.267 1.00 0.00 C ATOM 0 H LEU A 112 -8.710 -7.530 2.063 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.622 -5.949 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.969 -5.636 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.313 -5.167 4.292 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.290 -8.007 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.264 -8.249 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.055 -7.019 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.345 -6.520 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.487 -8.659 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.655 -6.947 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.901 -7.729 5.051 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.541 -3.901 2.935 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.954 -2.574 2.493 1.00 0.00 C ATOM 1724 C ASP A 113 -11.264 -1.675 3.686 1.00 0.00 C ATOM 1725 O ASP A 113 -12.426 -1.387 3.971 1.00 0.00 O ATOM 1726 CB ASP A 113 -12.178 -2.674 1.582 1.00 0.00 C ATOM 1727 CG ASP A 113 -11.847 -3.276 0.230 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -10.732 -3.024 -0.274 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -12.701 -3.999 -0.322 1.00 0.00 O ATOM 0 H ASP A 113 -11.248 -4.407 3.468 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.130 -2.132 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.941 -3.281 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.603 -1.681 1.440 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.218 -1.239 4.379 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.380 -0.375 5.543 1.00 0.00 C ATOM 1736 C GLN A 114 -11.263 0.824 5.212 1.00 0.00 C ATOM 1737 O GLN A 114 -11.085 1.474 4.182 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.016 0.104 6.043 1.00 0.00 C ATOM 1739 CG GLN A 114 -8.983 0.395 7.535 1.00 0.00 C ATOM 1740 CD GLN A 114 -9.823 1.599 7.913 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -11.044 1.591 7.760 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -9.170 2.643 8.411 1.00 0.00 N ATOM 0 H GLN A 114 -9.250 -1.469 4.156 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.864 -0.954 6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -8.267 -0.654 5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -8.735 1.006 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -9.341 -0.479 8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -7.952 0.564 7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -8.157 2.606 8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -9.682 3.482 8.684 1.00 0.00 H new