USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 811 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 Single : A 5 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.015) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 56:sc= 0.621 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0164 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.604 (180deg=0.415) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0626 (180deg=-0.376) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 61:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0.468 (180deg=0.366) USER MOD Single : A 33 MET CE :methyl 139:sc= -0.0394 (180deg=-1.27) USER MOD Single : A 48 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.98) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.105 K(o=0.1,f=-3.2!) USER MOD Single : A 68 MET CE :methyl 140:sc= -2.13! (180deg=-5.1!) USER MOD Single : A 72 ASN : amide:sc= 0.929 K(o=0.93,f=-2.6!) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.0517 (180deg=-0.371) USER MOD Single : A 78 CYS SG : rot 78:sc= 0.152 USER MOD Single : A 84 TYR OH : rot -165:sc= 1.24 USER MOD Single : A 88 THR OG1 : rot -93:sc= -0.201! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -163:sc= 1.29 USER MOD Single : A 94 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.81!) USER MOD Single : A 103 MET CE :methyl -129:sc= -0.637 (180deg=-5.49!) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= -0.0403 (180deg=-0.265) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -1.599 -2.770 14.642 1.00 0.00 N ATOM 54 CA ASN A 5 -2.318 -2.166 13.531 1.00 0.00 C ATOM 55 C ASN A 5 -1.357 -1.424 12.615 1.00 0.00 C ATOM 56 O ASN A 5 -1.779 -0.738 11.688 1.00 0.00 O ATOM 57 CB ASN A 5 -3.415 -1.217 14.028 1.00 0.00 C ATOM 58 CG ASN A 5 -4.503 -1.931 14.811 1.00 0.00 C ATOM 59 OD1 ASN A 5 -5.148 -1.341 15.679 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.716 -3.206 14.518 1.00 0.00 N ATOM 0 HA ASN A 5 -2.794 -2.968 12.968 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.966 -0.449 14.657 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.863 -0.708 13.174 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.434 -3.731 15.018 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.162 -3.662 13.793 1.00 0.00 H new ATOM 67 N SER A 6 -0.065 -1.563 12.884 1.00 0.00 N ATOM 68 CA SER A 6 0.966 -0.970 12.044 1.00 0.00 C ATOM 69 C SER A 6 0.909 -1.556 10.633 1.00 0.00 C ATOM 70 O SER A 6 0.704 -2.761 10.459 1.00 0.00 O ATOM 71 CB SER A 6 2.344 -1.208 12.666 1.00 0.00 C ATOM 72 OG SER A 6 2.380 -0.745 14.007 1.00 0.00 O ATOM 0 H SER A 6 0.295 -2.085 13.683 1.00 0.00 H new ATOM 0 HA SER A 6 0.790 0.104 11.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.582 -2.271 12.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.106 -0.695 12.079 1.00 0.00 H new ATOM 0 HG SER A 6 3.269 -0.908 14.386 1.00 0.00 H new ATOM 78 N PHE A 7 1.088 -0.700 9.636 1.00 0.00 N ATOM 79 CA PHE A 7 0.955 -1.097 8.241 1.00 0.00 C ATOM 80 C PHE A 7 1.942 -2.206 7.885 1.00 0.00 C ATOM 81 O PHE A 7 1.565 -3.191 7.253 1.00 0.00 O ATOM 82 CB PHE A 7 1.163 0.112 7.324 1.00 0.00 C ATOM 83 CG PHE A 7 0.737 -0.126 5.900 1.00 0.00 C ATOM 84 CD1 PHE A 7 1.616 -0.669 4.974 1.00 0.00 C ATOM 85 CD2 PHE A 7 -0.547 0.198 5.488 1.00 0.00 C ATOM 86 CE1 PHE A 7 1.222 -0.884 3.666 1.00 0.00 C ATOM 87 CE2 PHE A 7 -0.946 -0.014 4.181 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.061 -0.557 3.270 1.00 0.00 C ATOM 0 H PHE A 7 1.328 0.282 9.770 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.053 -1.484 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.606 0.959 7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.217 0.389 7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.620 -0.927 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.244 0.621 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.916 -1.307 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.948 0.245 3.873 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.371 -0.726 2.249 1.00 0.00 H new ATOM 98 N SER A 8 3.198 -2.050 8.295 1.00 0.00 N ATOM 99 CA SER A 8 4.229 -3.035 7.982 1.00 0.00 C ATOM 100 C SER A 8 3.898 -4.401 8.587 1.00 0.00 C ATOM 101 O SER A 8 4.171 -5.435 7.977 1.00 0.00 O ATOM 102 CB SER A 8 5.595 -2.557 8.477 1.00 0.00 C ATOM 103 OG SER A 8 6.630 -3.439 8.072 1.00 0.00 O ATOM 0 H SER A 8 3.525 -1.254 8.843 1.00 0.00 H new ATOM 0 HA SER A 8 4.263 -3.145 6.898 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.794 -1.558 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.584 -2.482 9.564 1.00 0.00 H new ATOM 0 HG SER A 8 7.491 -3.106 8.402 1.00 0.00 H new ATOM 109 N ALA A 9 3.311 -4.397 9.779 1.00 0.00 N ATOM 110 CA ALA A 9 2.929 -5.633 10.449 1.00 0.00 C ATOM 111 C ALA A 9 1.870 -6.375 9.644 1.00 0.00 C ATOM 112 O ALA A 9 1.999 -7.572 9.374 1.00 0.00 O ATOM 113 CB ALA A 9 2.426 -5.339 11.855 1.00 0.00 C ATOM 0 H ALA A 9 3.089 -3.549 10.301 1.00 0.00 H new ATOM 0 HA ALA A 9 3.809 -6.272 10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.144 -6.272 12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.215 -4.853 12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.558 -4.681 11.801 1.00 0.00 H new ATOM 119 N ILE A 10 0.832 -5.652 9.245 1.00 0.00 N ATOM 120 CA ILE A 10 -0.240 -6.235 8.458 1.00 0.00 C ATOM 121 C ILE A 10 0.267 -6.612 7.070 1.00 0.00 C ATOM 122 O ILE A 10 -0.111 -7.646 6.522 1.00 0.00 O ATOM 123 CB ILE A 10 -1.438 -5.269 8.346 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.952 -4.914 9.745 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.551 -5.884 7.502 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.116 -3.951 9.742 1.00 0.00 C ATOM 0 H ILE A 10 0.712 -4.661 9.455 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.580 -7.137 8.967 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.108 -4.356 7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.252 -5.830 10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.136 -4.480 10.322 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.386 -5.186 7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.174 -6.095 6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.889 -6.811 7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.423 -3.748 10.768 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.816 -3.019 9.262 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.950 -4.390 9.194 1.00 0.00 H new ATOM 138 N TYR A 11 1.143 -5.772 6.519 1.00 0.00 N ATOM 139 CA TYR A 11 1.795 -6.055 5.242 1.00 0.00 C ATOM 140 C TYR A 11 2.530 -7.391 5.289 1.00 0.00 C ATOM 141 O TYR A 11 2.457 -8.175 4.347 1.00 0.00 O ATOM 142 CB TYR A 11 2.770 -4.925 4.874 1.00 0.00 C ATOM 143 CG TYR A 11 3.947 -5.374 4.032 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.801 -5.662 2.679 1.00 0.00 C ATOM 145 CD2 TYR A 11 5.206 -5.521 4.601 1.00 0.00 C ATOM 146 CE1 TYR A 11 4.879 -6.086 1.922 1.00 0.00 C ATOM 147 CE2 TYR A 11 6.284 -5.940 3.851 1.00 0.00 C ATOM 148 CZ TYR A 11 6.116 -6.223 2.514 1.00 0.00 C ATOM 149 OH TYR A 11 7.190 -6.651 1.772 1.00 0.00 O ATOM 0 H TYR A 11 1.418 -4.885 6.941 1.00 0.00 H new ATOM 0 HA TYR A 11 1.023 -6.116 4.475 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.225 -4.151 4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.145 -4.470 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.833 -5.553 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.343 -5.303 5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.752 -6.308 0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.256 -6.046 4.310 1.00 0.00 H new ATOM 0 HH TYR A 11 7.309 -6.061 0.998 1.00 0.00 H new ATOM 159 N LYS A 12 3.237 -7.642 6.386 1.00 0.00 N ATOM 160 CA LYS A 12 3.992 -8.880 6.541 1.00 0.00 C ATOM 161 C LYS A 12 3.062 -10.089 6.466 1.00 0.00 C ATOM 162 O LYS A 12 3.337 -11.051 5.745 1.00 0.00 O ATOM 163 CB LYS A 12 4.753 -8.881 7.872 1.00 0.00 C ATOM 164 CG LYS A 12 5.631 -10.106 8.076 1.00 0.00 C ATOM 165 CD LYS A 12 6.794 -10.146 7.094 1.00 0.00 C ATOM 166 CE LYS A 12 7.600 -11.424 7.254 1.00 0.00 C ATOM 167 NZ LYS A 12 8.877 -11.386 6.494 1.00 0.00 N ATOM 0 H LYS A 12 3.303 -7.005 7.180 1.00 0.00 H new ATOM 0 HA LYS A 12 4.713 -8.945 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.375 -7.987 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.035 -8.819 8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.017 -10.109 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.028 -11.007 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.416 -10.076 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.440 -9.283 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.814 -11.586 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.004 -12.271 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.391 -12.279 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.675 -11.258 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.460 -10.594 6.833 1.00 0.00 H new ATOM 181 N GLU A 13 1.957 -10.029 7.206 1.00 0.00 N ATOM 182 CA GLU A 13 0.981 -11.113 7.208 1.00 0.00 C ATOM 183 C GLU A 13 0.307 -11.230 5.837 1.00 0.00 C ATOM 184 O GLU A 13 0.172 -12.327 5.292 1.00 0.00 O ATOM 185 CB GLU A 13 -0.069 -10.877 8.297 1.00 0.00 C ATOM 186 CG GLU A 13 -0.981 -12.071 8.532 1.00 0.00 C ATOM 187 CD GLU A 13 -2.059 -11.791 9.557 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.805 -11.961 10.767 1.00 0.00 O ATOM 189 OE2 GLU A 13 -3.176 -11.395 9.159 1.00 0.00 O ATOM 0 H GLU A 13 1.717 -9.243 7.810 1.00 0.00 H new ATOM 0 HA GLU A 13 1.501 -12.048 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.437 -10.628 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.677 -10.014 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.447 -12.358 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.383 -12.920 8.863 1.00 0.00 H new ATOM 196 N TRP A 14 -0.094 -10.087 5.288 1.00 0.00 N ATOM 197 CA TRP A 14 -0.735 -10.023 3.974 1.00 0.00 C ATOM 198 C TRP A 14 0.164 -10.625 2.899 1.00 0.00 C ATOM 199 O TRP A 14 -0.249 -11.529 2.171 1.00 0.00 O ATOM 200 CB TRP A 14 -1.064 -8.562 3.634 1.00 0.00 C ATOM 201 CG TRP A 14 -1.493 -8.343 2.213 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.714 -8.618 1.673 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.700 -7.792 1.151 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.723 -8.292 0.339 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.503 -7.778 -0.003 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.611 -7.311 1.064 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.039 -7.308 -1.230 1.00 0.00 C ATOM 208 CZ3 TRP A 14 1.069 -6.841 -0.154 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.245 -6.842 -1.287 1.00 0.00 C ATOM 0 H TRP A 14 0.015 -9.179 5.739 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.657 -10.604 4.006 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.856 -8.216 4.298 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.187 -7.947 3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.552 -9.032 2.215 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.513 -8.414 -0.295 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.254 -7.307 1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.672 -7.312 -2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.079 -6.467 -0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.631 -6.467 -2.223 1.00 0.00 H new ATOM 220 N TYR A 15 1.393 -10.123 2.813 1.00 0.00 N ATOM 221 CA TYR A 15 2.334 -10.574 1.798 1.00 0.00 C ATOM 222 C TYR A 15 2.567 -12.074 1.879 1.00 0.00 C ATOM 223 O TYR A 15 2.408 -12.776 0.889 1.00 0.00 O ATOM 224 CB TYR A 15 3.672 -9.837 1.916 1.00 0.00 C ATOM 225 CG TYR A 15 4.788 -10.517 1.155 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.738 -10.643 -0.228 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.877 -11.058 1.826 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.747 -11.284 -0.919 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.887 -11.701 1.143 1.00 0.00 C ATOM 230 CZ TYR A 15 6.817 -11.813 -0.231 1.00 0.00 C ATOM 231 OH TYR A 15 7.823 -12.450 -0.920 1.00 0.00 O ATOM 0 H TYR A 15 1.759 -9.403 3.436 1.00 0.00 H new ATOM 0 HA TYR A 15 1.889 -10.345 0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.554 -8.819 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.949 -9.763 2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.898 -10.234 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.933 -10.973 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.698 -11.370 -1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.728 -12.115 1.680 1.00 0.00 H new ATOM 0 HH TYR A 15 8.503 -12.765 -0.289 1.00 0.00 H new ATOM 241 N GLU A 16 2.929 -12.560 3.057 1.00 0.00 N ATOM 242 CA GLU A 16 3.282 -13.965 3.223 1.00 0.00 C ATOM 243 C GLU A 16 2.111 -14.872 2.854 1.00 0.00 C ATOM 244 O GLU A 16 2.303 -15.978 2.343 1.00 0.00 O ATOM 245 CB GLU A 16 3.735 -14.233 4.658 1.00 0.00 C ATOM 246 CG GLU A 16 4.233 -15.650 4.877 1.00 0.00 C ATOM 247 CD GLU A 16 4.748 -15.871 6.280 1.00 0.00 C ATOM 248 OE1 GLU A 16 3.934 -16.188 7.174 1.00 0.00 O ATOM 249 OE2 GLU A 16 5.969 -15.730 6.496 1.00 0.00 O ATOM 0 H GLU A 16 2.986 -12.005 3.911 1.00 0.00 H new ATOM 0 HA GLU A 16 4.107 -14.190 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.529 -13.532 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.904 -14.039 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.423 -16.352 4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.028 -15.867 4.163 1.00 0.00 H new ATOM 256 N HIS A 17 0.900 -14.394 3.093 1.00 0.00 N ATOM 257 CA HIS A 17 -0.294 -15.156 2.772 1.00 0.00 C ATOM 258 C HIS A 17 -0.601 -15.079 1.278 1.00 0.00 C ATOM 259 O HIS A 17 -0.934 -16.081 0.650 1.00 0.00 O ATOM 260 CB HIS A 17 -1.486 -14.642 3.581 1.00 0.00 C ATOM 261 CG HIS A 17 -2.718 -15.468 3.410 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.017 -16.549 4.208 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.722 -15.370 2.515 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.153 -17.087 3.807 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.604 -16.389 2.779 1.00 0.00 N ATOM 0 H HIS A 17 0.719 -13.480 3.509 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.113 -16.199 3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.216 -14.619 4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.702 -13.615 3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.815 -14.628 1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.633 -17.950 4.244 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.466 -16.576 2.266 1.00 0.00 H new ATOM 274 N LYS A 18 -0.483 -13.888 0.710 1.00 0.00 N ATOM 275 CA LYS A 18 -0.806 -13.680 -0.696 1.00 0.00 C ATOM 276 C LYS A 18 0.324 -14.206 -1.583 1.00 0.00 C ATOM 277 O LYS A 18 0.147 -14.423 -2.784 1.00 0.00 O ATOM 278 CB LYS A 18 -1.066 -12.193 -0.957 1.00 0.00 C ATOM 279 CG LYS A 18 -1.990 -11.922 -2.136 1.00 0.00 C ATOM 280 CD LYS A 18 -3.314 -12.663 -1.989 1.00 0.00 C ATOM 281 CE LYS A 18 -4.329 -12.225 -3.035 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.915 -10.892 -2.724 1.00 0.00 N ATOM 0 H LYS A 18 -0.166 -13.051 1.199 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.712 -14.235 -0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.498 -11.748 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.113 -11.694 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.178 -10.851 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.501 -12.228 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.141 -13.736 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.720 -12.487 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.849 -12.190 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.127 -12.965 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.308 -10.475 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.672 -11.001 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.175 -10.268 -2.344 1.00 0.00 H new ATOM 296 N LYS A 19 1.481 -14.428 -0.968 1.00 0.00 N ATOM 297 CA LYS A 19 2.636 -15.012 -1.642 1.00 0.00 C ATOM 298 C LYS A 19 2.352 -16.459 -2.035 1.00 0.00 C ATOM 299 O LYS A 19 3.032 -17.032 -2.886 1.00 0.00 O ATOM 300 CB LYS A 19 3.860 -14.942 -0.722 1.00 0.00 C ATOM 301 CG LYS A 19 5.122 -15.542 -1.317 1.00 0.00 C ATOM 302 CD LYS A 19 6.288 -15.458 -0.349 1.00 0.00 C ATOM 303 CE LYS A 19 7.541 -16.095 -0.928 1.00 0.00 C ATOM 304 NZ LYS A 19 7.323 -17.522 -1.295 1.00 0.00 N ATOM 0 H LYS A 19 1.645 -14.208 0.014 1.00 0.00 H new ATOM 0 HA LYS A 19 2.838 -14.445 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.051 -13.899 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.630 -15.459 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.941 -16.584 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.375 -15.019 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.488 -14.414 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.024 -15.955 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.856 -15.538 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.351 -16.027 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.242 -17.991 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.796 -17.999 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.779 -17.574 -2.180 1.00 0.00 H new ATOM 318 N GLN A 20 1.335 -17.042 -1.415 1.00 0.00 N ATOM 319 CA GLN A 20 0.918 -18.399 -1.736 1.00 0.00 C ATOM 320 C GLN A 20 0.159 -18.422 -3.061 1.00 0.00 C ATOM 321 O GLN A 20 -0.106 -19.485 -3.620 1.00 0.00 O ATOM 322 CB GLN A 20 0.045 -18.961 -0.614 1.00 0.00 C ATOM 323 CG GLN A 20 0.761 -19.028 0.725 1.00 0.00 C ATOM 324 CD GLN A 20 -0.148 -19.446 1.865 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.350 -19.172 1.856 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.420 -20.118 2.851 1.00 0.00 N ATOM 0 H GLN A 20 0.782 -16.594 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 20 1.806 -19.023 -1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.847 -18.342 -0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.291 -19.961 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.590 -19.732 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.191 -18.052 0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.419 -20.324 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.140 -20.431 3.644 1.00 0.00 H new ATOM 335 N VAL A 21 -0.180 -17.238 -3.558 1.00 0.00 N ATOM 336 CA VAL A 21 -0.900 -17.110 -4.818 1.00 0.00 C ATOM 337 C VAL A 21 0.058 -16.760 -5.955 1.00 0.00 C ATOM 338 O VAL A 21 -0.057 -17.284 -7.064 1.00 0.00 O ATOM 339 CB VAL A 21 -2.001 -16.031 -4.729 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.776 -15.935 -6.036 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.939 -16.322 -3.567 1.00 0.00 C ATOM 0 H VAL A 21 0.034 -16.350 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.368 -18.073 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.521 -15.069 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.545 -15.168 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.094 -15.673 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.244 -16.895 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.709 -15.552 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.408 -17.295 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.373 -16.328 -2.635 1.00 0.00 H new ATOM 351 N TRP A 22 1.005 -15.877 -5.669 1.00 0.00 N ATOM 352 CA TRP A 22 1.961 -15.425 -6.677 1.00 0.00 C ATOM 353 C TRP A 22 3.213 -16.296 -6.673 1.00 0.00 C ATOM 354 O TRP A 22 3.471 -17.027 -5.717 1.00 0.00 O ATOM 355 CB TRP A 22 2.362 -13.966 -6.433 1.00 0.00 C ATOM 356 CG TRP A 22 1.208 -13.014 -6.378 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.122 -12.987 -7.204 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.041 -11.930 -5.459 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.717 -11.962 -6.844 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.174 -11.296 -5.777 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.801 -11.437 -4.393 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.646 -10.194 -5.067 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.332 -10.344 -3.691 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.119 -9.732 -4.031 1.00 0.00 C ATOM 0 H TRP A 22 1.134 -15.458 -4.748 1.00 0.00 H new ATOM 0 HA TRP A 22 1.473 -15.506 -7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.914 -13.905 -5.495 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.042 -13.650 -7.225 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.052 -13.672 -8.021 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.602 -11.733 -7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.738 -11.903 -4.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.582 -9.721 -5.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.910 -9.955 -2.866 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.220 -8.878 -3.464 1.00 0.00 H new ATOM 375 N SER A 23 3.985 -16.217 -7.745 1.00 0.00 N ATOM 376 CA SER A 23 5.258 -16.914 -7.817 1.00 0.00 C ATOM 377 C SER A 23 6.306 -16.154 -7.009 1.00 0.00 C ATOM 378 O SER A 23 6.189 -14.941 -6.833 1.00 0.00 O ATOM 379 CB SER A 23 5.695 -17.041 -9.273 1.00 0.00 C ATOM 380 OG SER A 23 4.661 -17.608 -10.058 1.00 0.00 O ATOM 0 H SER A 23 3.751 -15.676 -8.578 1.00 0.00 H new ATOM 0 HA SER A 23 5.149 -17.914 -7.397 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.960 -16.059 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.589 -17.661 -9.337 1.00 0.00 H new ATOM 0 HG SER A 23 4.959 -17.680 -10.989 1.00 0.00 H new ATOM 386 N VAL A 24 7.322 -16.865 -6.525 1.00 0.00 N ATOM 387 CA VAL A 24 8.333 -16.274 -5.650 1.00 0.00 C ATOM 388 C VAL A 24 8.994 -15.043 -6.282 1.00 0.00 C ATOM 389 O VAL A 24 9.255 -14.055 -5.593 1.00 0.00 O ATOM 390 CB VAL A 24 9.418 -17.305 -5.249 1.00 0.00 C ATOM 391 CG1 VAL A 24 10.192 -17.797 -6.463 1.00 0.00 C ATOM 392 CG2 VAL A 24 10.364 -16.722 -4.208 1.00 0.00 C ATOM 0 H VAL A 24 7.468 -17.855 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 24 7.807 -15.955 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 24 8.910 -18.162 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.945 -18.519 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.506 -18.272 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.681 -16.953 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.116 -17.465 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.855 -15.839 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.799 -16.444 -3.318 1.00 0.00 H new ATOM 402 N GLY A 25 9.243 -15.096 -7.589 1.00 0.00 N ATOM 403 CA GLY A 25 9.871 -13.978 -8.271 1.00 0.00 C ATOM 404 C GLY A 25 9.032 -12.718 -8.200 1.00 0.00 C ATOM 405 O GLY A 25 9.460 -11.707 -7.634 1.00 0.00 O ATOM 0 H GLY A 25 9.021 -15.892 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.848 -13.787 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.041 -14.241 -9.315 1.00 0.00 H new ATOM 409 N TYR A 26 7.829 -12.785 -8.757 1.00 0.00 N ATOM 410 CA TYR A 26 6.907 -11.659 -8.752 1.00 0.00 C ATOM 411 C TYR A 26 6.585 -11.224 -7.324 1.00 0.00 C ATOM 412 O TYR A 26 6.494 -10.030 -7.037 1.00 0.00 O ATOM 413 CB TYR A 26 5.622 -12.031 -9.500 1.00 0.00 C ATOM 414 CG TYR A 26 4.583 -10.930 -9.538 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.739 -9.830 -10.373 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.448 -10.989 -8.738 1.00 0.00 C ATOM 417 CE1 TYR A 26 3.794 -8.822 -10.411 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.498 -9.987 -8.771 1.00 0.00 C ATOM 419 CZ TYR A 26 2.676 -8.905 -9.606 1.00 0.00 C ATOM 420 OH TYR A 26 1.730 -7.904 -9.641 1.00 0.00 O ATOM 0 H TYR A 26 7.468 -13.618 -9.222 1.00 0.00 H new ATOM 0 HA TYR A 26 7.383 -10.821 -9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.878 -12.309 -10.522 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.184 -12.912 -9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.614 -9.762 -11.003 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.306 -11.833 -8.079 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.930 -7.975 -11.067 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.620 -10.051 -8.146 1.00 0.00 H new ATOM 0 HH TYR A 26 1.006 -8.116 -9.015 1.00 0.00 H new ATOM 430 N ALA A 27 6.434 -12.197 -6.429 1.00 0.00 N ATOM 431 CA ALA A 27 6.115 -11.910 -5.038 1.00 0.00 C ATOM 432 C ALA A 27 7.219 -11.091 -4.384 1.00 0.00 C ATOM 433 O ALA A 27 6.944 -10.134 -3.667 1.00 0.00 O ATOM 434 CB ALA A 27 5.879 -13.201 -4.266 1.00 0.00 C ATOM 0 H ALA A 27 6.528 -13.190 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 27 5.198 -11.321 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.642 -12.966 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.048 -13.746 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.778 -13.816 -4.302 1.00 0.00 H new ATOM 440 N THR A 28 8.466 -11.457 -4.650 1.00 0.00 N ATOM 441 CA THR A 28 9.608 -10.753 -4.086 1.00 0.00 C ATOM 442 C THR A 28 9.661 -9.304 -4.570 1.00 0.00 C ATOM 443 O THR A 28 9.832 -8.380 -3.773 1.00 0.00 O ATOM 444 CB THR A 28 10.926 -11.470 -4.442 1.00 0.00 C ATOM 445 OG1 THR A 28 10.898 -12.809 -3.932 1.00 0.00 O ATOM 446 CG2 THR A 28 12.128 -10.731 -3.872 1.00 0.00 C ATOM 0 H THR A 28 8.712 -12.240 -5.255 1.00 0.00 H new ATOM 0 HA THR A 28 9.487 -10.752 -3.003 1.00 0.00 H new ATOM 0 HB THR A 28 11.021 -11.488 -5.528 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.150 -13.297 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.042 -11.261 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.161 -9.721 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.043 -10.681 -2.786 1.00 0.00 H new ATOM 454 N GLU A 29 9.489 -9.110 -5.872 1.00 0.00 N ATOM 455 CA GLU A 29 9.550 -7.775 -6.452 1.00 0.00 C ATOM 456 C GLU A 29 8.383 -6.914 -5.978 1.00 0.00 C ATOM 457 O GLU A 29 8.556 -5.728 -5.695 1.00 0.00 O ATOM 458 CB GLU A 29 9.584 -7.854 -7.978 1.00 0.00 C ATOM 459 CG GLU A 29 10.887 -8.426 -8.516 1.00 0.00 C ATOM 460 CD GLU A 29 10.933 -8.466 -10.028 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.565 -7.456 -10.666 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.358 -9.499 -10.586 1.00 0.00 O ATOM 0 H GLU A 29 9.307 -9.856 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 29 10.471 -7.301 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.754 -8.470 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.434 -6.857 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.720 -7.827 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.023 -9.435 -8.127 1.00 0.00 H new ATOM 469 N LEU A 30 7.203 -7.513 -5.870 1.00 0.00 N ATOM 470 CA LEU A 30 6.032 -6.802 -5.367 1.00 0.00 C ATOM 471 C LEU A 30 6.226 -6.461 -3.891 1.00 0.00 C ATOM 472 O LEU A 30 5.917 -5.351 -3.452 1.00 0.00 O ATOM 473 CB LEU A 30 4.762 -7.643 -5.578 1.00 0.00 C ATOM 474 CG LEU A 30 3.437 -6.968 -5.191 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.296 -7.528 -6.024 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.136 -7.165 -3.711 1.00 0.00 C ATOM 0 H LEU A 30 7.031 -8.486 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 30 5.913 -5.872 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.709 -7.928 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.860 -8.564 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 30 3.535 -5.900 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.364 -7.040 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.493 -7.345 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.212 -8.601 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.193 -6.678 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.062 -8.230 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.938 -6.728 -3.115 1.00 0.00 H new ATOM 488 N ALA A 31 6.754 -7.417 -3.138 1.00 0.00 N ATOM 489 CA ALA A 31 7.014 -7.218 -1.721 1.00 0.00 C ATOM 490 C ALA A 31 7.996 -6.081 -1.504 1.00 0.00 C ATOM 491 O ALA A 31 7.752 -5.188 -0.694 1.00 0.00 O ATOM 492 CB ALA A 31 7.548 -8.492 -1.091 1.00 0.00 C ATOM 0 H ALA A 31 7.011 -8.340 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 31 6.070 -6.957 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.736 -8.322 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.815 -9.290 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.477 -8.779 -1.583 1.00 0.00 H new ATOM 498 N LYS A 32 9.101 -6.094 -2.240 1.00 0.00 N ATOM 499 CA LYS A 32 10.108 -5.074 -2.047 1.00 0.00 C ATOM 500 C LYS A 32 9.641 -3.738 -2.615 1.00 0.00 C ATOM 501 O LYS A 32 10.170 -2.688 -2.260 1.00 0.00 O ATOM 502 CB LYS A 32 11.462 -5.467 -2.636 1.00 0.00 C ATOM 503 CG LYS A 32 12.554 -4.488 -2.236 1.00 0.00 C ATOM 504 CD LYS A 32 13.946 -5.001 -2.541 1.00 0.00 C ATOM 505 CE LYS A 32 14.999 -4.022 -2.044 1.00 0.00 C ATOM 506 NZ LYS A 32 14.877 -3.759 -0.580 1.00 0.00 N ATOM 0 H LYS A 32 9.314 -6.785 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 32 10.248 -4.970 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.729 -6.468 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.389 -5.506 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.398 -3.544 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.475 -4.279 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.093 -5.972 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.058 -5.149 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.991 -4.418 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.906 -3.083 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.673 -3.168 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.982 -3.264 -0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.890 -4.661 -0.063 1.00 0.00 H new ATOM 520 N MET A 33 8.641 -3.773 -3.485 1.00 0.00 N ATOM 521 CA MET A 33 8.021 -2.545 -3.957 1.00 0.00 C ATOM 522 C MET A 33 7.382 -1.831 -2.770 1.00 0.00 C ATOM 523 O MET A 33 7.524 -0.620 -2.602 1.00 0.00 O ATOM 524 CB MET A 33 6.974 -2.835 -5.038 1.00 0.00 C ATOM 525 CG MET A 33 6.418 -1.582 -5.692 1.00 0.00 C ATOM 526 SD MET A 33 5.219 -1.936 -6.994 1.00 0.00 S ATOM 527 CE MET A 33 3.878 -2.633 -6.038 1.00 0.00 C ATOM 0 H MET A 33 8.246 -4.629 -3.874 1.00 0.00 H new ATOM 0 HA MET A 33 8.783 -1.907 -4.405 1.00 0.00 H new ATOM 0 HB2 MET A 33 7.420 -3.468 -5.805 1.00 0.00 H new ATOM 0 HB3 MET A 33 6.153 -3.400 -4.596 1.00 0.00 H new ATOM 0 HG2 MET A 33 5.946 -0.961 -4.931 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.241 -1.003 -6.111 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.928 -2.256 -6.416 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.897 -3.720 -6.122 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.991 -2.348 -4.992 1.00 0.00 H new ATOM 537 N PHE A 34 6.706 -2.605 -1.928 1.00 0.00 N ATOM 538 CA PHE A 34 6.154 -2.079 -0.690 1.00 0.00 C ATOM 539 C PHE A 34 7.264 -1.731 0.290 1.00 0.00 C ATOM 540 O PHE A 34 7.188 -0.737 0.997 1.00 0.00 O ATOM 541 CB PHE A 34 5.188 -3.079 -0.055 1.00 0.00 C ATOM 542 CG PHE A 34 3.806 -3.015 -0.625 1.00 0.00 C ATOM 543 CD1 PHE A 34 3.497 -3.645 -1.818 1.00 0.00 C ATOM 544 CD2 PHE A 34 2.815 -2.311 0.036 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.219 -3.575 -2.338 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.539 -2.239 -0.477 1.00 0.00 C ATOM 547 CZ PHE A 34 1.241 -2.870 -1.666 1.00 0.00 C ATOM 0 H PHE A 34 6.528 -3.598 -2.082 1.00 0.00 H new ATOM 0 HA PHE A 34 5.603 -1.170 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.581 -4.087 -0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.139 -2.894 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.261 -4.196 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.045 -1.812 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.986 -4.071 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.774 -1.690 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.242 -2.813 -2.072 1.00 0.00 H new ATOM 557 N ASP A 35 8.296 -2.554 0.324 1.00 0.00 N ATOM 558 CA ASP A 35 9.442 -2.307 1.191 1.00 0.00 C ATOM 559 C ASP A 35 10.109 -0.976 0.860 1.00 0.00 C ATOM 560 O ASP A 35 10.043 -0.027 1.641 1.00 0.00 O ATOM 561 CB ASP A 35 10.456 -3.446 1.059 1.00 0.00 C ATOM 562 CG ASP A 35 11.775 -3.172 1.759 1.00 0.00 C ATOM 563 OD1 ASP A 35 11.786 -3.019 2.998 1.00 0.00 O ATOM 564 OD2 ASP A 35 12.815 -3.138 1.065 1.00 0.00 O ATOM 0 H ASP A 35 8.368 -3.402 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 35 9.083 -2.260 2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.020 -4.358 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.647 -3.630 0.002 1.00 0.00 H new ATOM 569 N ASP A 36 10.695 -0.904 -0.328 1.00 0.00 N ATOM 570 CA ASP A 36 11.586 0.193 -0.695 1.00 0.00 C ATOM 571 C ASP A 36 10.836 1.506 -0.921 1.00 0.00 C ATOM 572 O ASP A 36 11.394 2.584 -0.714 1.00 0.00 O ATOM 573 CB ASP A 36 12.377 -0.183 -1.952 1.00 0.00 C ATOM 574 CG ASP A 36 13.497 0.793 -2.259 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.556 0.710 -1.600 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.342 1.627 -3.177 1.00 0.00 O ATOM 0 H ASP A 36 10.568 -1.600 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 36 12.267 0.354 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.796 -1.181 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.697 -0.228 -2.803 1.00 0.00 H new ATOM 581 N ASP A 37 9.577 1.428 -1.340 1.00 0.00 N ATOM 582 CA ASP A 37 8.820 2.642 -1.648 1.00 0.00 C ATOM 583 C ASP A 37 7.750 2.940 -0.599 1.00 0.00 C ATOM 584 O ASP A 37 7.598 4.084 -0.177 1.00 0.00 O ATOM 585 CB ASP A 37 8.182 2.555 -3.040 1.00 0.00 C ATOM 586 CG ASP A 37 9.204 2.663 -4.159 1.00 0.00 C ATOM 587 OD1 ASP A 37 9.947 3.667 -4.202 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.269 1.750 -5.009 1.00 0.00 O ATOM 0 H ASP A 37 9.065 0.556 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 37 9.534 3.466 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.647 1.610 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.445 3.351 -3.148 1.00 0.00 H new ATOM 593 N ILE A 38 7.018 1.920 -0.168 1.00 0.00 N ATOM 594 CA ILE A 38 5.912 2.116 0.767 1.00 0.00 C ATOM 595 C ILE A 38 6.404 2.266 2.213 1.00 0.00 C ATOM 596 O ILE A 38 5.939 3.151 2.939 1.00 0.00 O ATOM 597 CB ILE A 38 4.862 0.964 0.681 1.00 0.00 C ATOM 598 CG1 ILE A 38 3.909 1.165 -0.506 1.00 0.00 C ATOM 599 CG2 ILE A 38 4.060 0.850 1.972 1.00 0.00 C ATOM 600 CD1 ILE A 38 4.538 0.965 -1.869 1.00 0.00 C ATOM 0 H ILE A 38 7.168 0.951 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 38 5.426 3.045 0.470 1.00 0.00 H new ATOM 0 HB ILE A 38 5.416 0.037 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.073 0.474 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.497 2.173 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.337 0.039 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.735 0.643 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.533 1.786 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.788 1.128 -2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.355 1.674 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.924 -0.052 -1.946 1.00 0.00 H new ATOM 612 N LEU A 39 7.360 1.432 2.629 1.00 0.00 N ATOM 613 CA LEU A 39 7.752 1.380 4.037 1.00 0.00 C ATOM 614 C LEU A 39 8.415 2.672 4.535 1.00 0.00 C ATOM 615 O LEU A 39 8.107 3.117 5.639 1.00 0.00 O ATOM 616 CB LEU A 39 8.648 0.173 4.327 1.00 0.00 C ATOM 617 CG LEU A 39 7.980 -1.193 4.141 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.882 -2.304 4.657 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.633 -1.231 4.844 1.00 0.00 C ATOM 0 H LEU A 39 7.870 0.792 2.020 1.00 0.00 H new ATOM 0 HA LEU A 39 6.822 1.270 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.521 0.224 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.009 0.247 5.353 1.00 0.00 H new ATOM 0 HG LEU A 39 7.815 -1.350 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.390 -3.267 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.823 -2.293 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.080 -2.149 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.175 -2.209 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.773 -1.049 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.983 -0.461 4.427 1.00 0.00 H new ATOM 631 N PRO A 40 9.329 3.306 3.767 1.00 0.00 N ATOM 632 CA PRO A 40 9.951 4.569 4.187 1.00 0.00 C ATOM 633 C PRO A 40 8.937 5.707 4.308 1.00 0.00 C ATOM 634 O PRO A 40 9.237 6.760 4.874 1.00 0.00 O ATOM 635 CB PRO A 40 10.961 4.870 3.076 1.00 0.00 C ATOM 636 CG PRO A 40 10.474 4.101 1.901 1.00 0.00 C ATOM 637 CD PRO A 40 9.858 2.857 2.465 1.00 0.00 C ATOM 0 HA PRO A 40 10.403 4.483 5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.005 5.937 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.967 4.561 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.745 4.676 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.292 3.861 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.068 2.470 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.593 2.060 2.582 1.00 0.00 H new ATOM 645 N ILE A 41 7.739 5.492 3.779 1.00 0.00 N ATOM 646 CA ILE A 41 6.689 6.498 3.838 1.00 0.00 C ATOM 647 C ILE A 41 5.719 6.192 4.979 1.00 0.00 C ATOM 648 O ILE A 41 5.680 6.911 5.977 1.00 0.00 O ATOM 649 CB ILE A 41 5.899 6.589 2.510 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.852 6.768 1.321 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.900 7.741 2.565 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.631 8.066 1.344 1.00 0.00 C ATOM 0 H ILE A 41 7.471 4.630 3.305 1.00 0.00 H new ATOM 0 HA ILE A 41 7.177 7.457 4.013 1.00 0.00 H new ATOM 0 HB ILE A 41 5.352 5.656 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.555 5.935 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.276 6.718 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.352 7.793 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.200 7.577 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.433 8.678 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.281 8.116 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.938 8.907 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.236 8.111 2.250 1.00 0.00 H new ATOM 664 N ILE A 42 4.965 5.106 4.847 1.00 0.00 N ATOM 665 CA ILE A 42 3.920 4.786 5.818 1.00 0.00 C ATOM 666 C ILE A 42 4.144 3.428 6.472 1.00 0.00 C ATOM 667 O ILE A 42 3.266 2.923 7.172 1.00 0.00 O ATOM 668 CB ILE A 42 2.521 4.770 5.175 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.449 3.697 4.088 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.179 6.135 4.604 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.040 3.258 3.775 1.00 0.00 C ATOM 0 H ILE A 42 5.055 4.436 4.084 1.00 0.00 H new ATOM 0 HA ILE A 42 3.974 5.573 6.570 1.00 0.00 H new ATOM 0 HB ILE A 42 1.788 4.531 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.914 4.079 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.030 2.831 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.187 6.103 4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.192 6.877 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.913 6.406 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.061 2.496 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.579 2.846 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.460 4.114 3.430 1.00 0.00 H new ATOM 683 N GLY A 43 5.313 2.847 6.257 1.00 0.00 N ATOM 684 CA GLY A 43 5.584 1.517 6.773 1.00 0.00 C ATOM 685 C GLY A 43 5.496 1.449 8.281 1.00 0.00 C ATOM 686 O GLY A 43 5.022 0.457 8.841 1.00 0.00 O ATOM 0 H GLY A 43 6.081 3.270 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.875 0.812 6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.579 1.204 6.456 1.00 0.00 H new ATOM 690 N GLY A 44 5.931 2.515 8.938 1.00 0.00 N ATOM 691 CA GLY A 44 5.916 2.551 10.382 1.00 0.00 C ATOM 692 C GLY A 44 4.708 3.279 10.934 1.00 0.00 C ATOM 693 O GLY A 44 4.722 3.735 12.076 1.00 0.00 O ATOM 0 H GLY A 44 6.295 3.357 8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.929 1.531 10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.824 3.038 10.739 1.00 0.00 H new ATOM 697 N LEU A 45 3.663 3.409 10.121 1.00 0.00 N ATOM 698 CA LEU A 45 2.438 4.049 10.571 1.00 0.00 C ATOM 699 C LEU A 45 1.348 3.007 10.775 1.00 0.00 C ATOM 700 O LEU A 45 1.422 1.908 10.222 1.00 0.00 O ATOM 701 CB LEU A 45 1.980 5.092 9.551 1.00 0.00 C ATOM 702 CG LEU A 45 2.980 6.217 9.276 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.475 7.110 8.154 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.224 7.033 10.537 1.00 0.00 C ATOM 0 H LEU A 45 3.643 3.081 9.155 1.00 0.00 H new ATOM 0 HA LEU A 45 2.633 4.548 11.520 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.760 4.586 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.047 5.534 9.901 1.00 0.00 H new ATOM 0 HG LEU A 45 3.926 5.772 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.197 7.906 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.348 6.518 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.518 7.547 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.938 7.829 10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.284 7.470 10.875 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.625 6.386 11.317 1.00 0.00 H new ATOM 716 N GLU A 46 0.348 3.343 11.574 1.00 0.00 N ATOM 717 CA GLU A 46 -0.775 2.448 11.794 1.00 0.00 C ATOM 718 C GLU A 46 -1.752 2.552 10.639 1.00 0.00 C ATOM 719 O GLU A 46 -2.011 3.641 10.137 1.00 0.00 O ATOM 720 CB GLU A 46 -1.475 2.772 13.110 1.00 0.00 C ATOM 721 CG GLU A 46 -0.593 2.557 14.326 1.00 0.00 C ATOM 722 CD GLU A 46 -1.275 2.961 15.609 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.301 4.172 15.911 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.776 2.070 16.326 1.00 0.00 O ATOM 0 H GLU A 46 0.292 4.227 12.080 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.399 1.427 11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.809 3.809 13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.367 2.152 13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.309 1.506 14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.327 3.130 14.210 1.00 0.00 H new ATOM 731 N ILE A 47 -2.297 1.418 10.235 1.00 0.00 N ATOM 732 CA ILE A 47 -3.181 1.342 9.079 1.00 0.00 C ATOM 733 C ILE A 47 -4.466 2.149 9.307 1.00 0.00 C ATOM 734 O ILE A 47 -5.142 2.545 8.361 1.00 0.00 O ATOM 735 CB ILE A 47 -3.514 -0.137 8.760 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.052 -0.279 7.337 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.511 -0.699 9.767 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.176 -1.715 6.877 1.00 0.00 C ATOM 0 H ILE A 47 -2.141 0.522 10.697 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.664 1.779 8.225 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.591 -0.712 8.836 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.030 0.198 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.394 0.257 6.653 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.729 -1.738 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.086 -0.644 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.432 -0.117 9.731 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.564 -1.739 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.196 -2.191 6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.858 -2.251 7.537 1.00 0.00 H new ATOM 750 N GLN A 48 -4.779 2.401 10.573 1.00 0.00 N ATOM 751 CA GLN A 48 -5.944 3.202 10.937 1.00 0.00 C ATOM 752 C GLN A 48 -5.583 4.682 11.015 1.00 0.00 C ATOM 753 O GLN A 48 -6.459 5.546 11.066 1.00 0.00 O ATOM 754 CB GLN A 48 -6.486 2.762 12.296 1.00 0.00 C ATOM 755 CG GLN A 48 -7.134 1.390 12.305 1.00 0.00 C ATOM 756 CD GLN A 48 -7.482 0.948 13.712 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.783 1.282 14.670 1.00 0.00 O ATOM 758 NE2 GLN A 48 -8.577 0.226 13.854 1.00 0.00 N ATOM 0 H GLN A 48 -4.240 2.061 11.369 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.701 3.053 10.167 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.669 2.768 13.017 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.216 3.496 12.636 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.037 1.409 11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.458 0.665 11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.129 -0.030 13.035 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.872 -0.076 14.783 1.00 0.00 H new ATOM 767 N ASP A 49 -4.288 4.968 11.015 1.00 0.00 N ATOM 768 CA ASP A 49 -3.804 6.310 11.303 1.00 0.00 C ATOM 769 C ASP A 49 -2.800 6.769 10.248 1.00 0.00 C ATOM 770 O ASP A 49 -1.695 7.218 10.562 1.00 0.00 O ATOM 771 CB ASP A 49 -3.171 6.333 12.699 1.00 0.00 C ATOM 772 CG ASP A 49 -2.849 7.734 13.175 1.00 0.00 C ATOM 773 OD1 ASP A 49 -3.710 8.627 13.035 1.00 0.00 O ATOM 774 OD2 ASP A 49 -1.741 7.943 13.717 1.00 0.00 O ATOM 0 H ASP A 49 -3.554 4.288 10.819 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.646 7.002 11.278 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.850 5.860 13.409 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.257 5.739 12.688 1.00 0.00 H new ATOM 779 N ILE A 50 -3.191 6.650 8.993 1.00 0.00 N ATOM 780 CA ILE A 50 -2.363 7.118 7.894 1.00 0.00 C ATOM 781 C ILE A 50 -2.979 8.359 7.274 1.00 0.00 C ATOM 782 O ILE A 50 -4.164 8.371 6.943 1.00 0.00 O ATOM 783 CB ILE A 50 -2.187 6.038 6.806 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.476 4.819 7.388 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.412 6.590 5.615 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.334 3.674 6.413 1.00 0.00 C ATOM 0 H ILE A 50 -4.077 6.233 8.708 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.380 7.351 8.302 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.174 5.736 6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.485 5.117 7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.026 4.473 8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.300 5.811 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.954 7.434 5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.427 6.921 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.819 2.845 6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.322 3.348 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.758 4.002 5.548 1.00 0.00 H new ATOM 798 N GLU A 51 -2.173 9.401 7.127 1.00 0.00 N ATOM 799 CA GLU A 51 -2.651 10.639 6.539 1.00 0.00 C ATOM 800 C GLU A 51 -2.820 10.472 5.039 1.00 0.00 C ATOM 801 O GLU A 51 -2.026 9.783 4.394 1.00 0.00 O ATOM 802 CB GLU A 51 -1.687 11.793 6.813 1.00 0.00 C ATOM 803 CG GLU A 51 -1.516 12.120 8.284 1.00 0.00 C ATOM 804 CD GLU A 51 -0.750 13.407 8.492 1.00 0.00 C ATOM 805 OE1 GLU A 51 0.487 13.404 8.336 1.00 0.00 O ATOM 806 OE2 GLU A 51 -1.384 14.437 8.802 1.00 0.00 O ATOM 0 H GLU A 51 -1.192 9.412 7.405 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.612 10.874 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.713 11.547 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.044 12.682 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.496 12.201 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.992 11.302 8.779 1.00 0.00 H new ATOM 813 N PRO A 52 -3.854 11.099 4.463 1.00 0.00 N ATOM 814 CA PRO A 52 -4.082 11.076 3.019 1.00 0.00 C ATOM 815 C PRO A 52 -2.865 11.581 2.258 1.00 0.00 C ATOM 816 O PRO A 52 -2.542 11.082 1.187 1.00 0.00 O ATOM 817 CB PRO A 52 -5.268 12.024 2.824 1.00 0.00 C ATOM 818 CG PRO A 52 -5.963 12.038 4.140 1.00 0.00 C ATOM 819 CD PRO A 52 -4.890 11.865 5.175 1.00 0.00 C ATOM 0 HA PRO A 52 -4.270 10.070 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.934 13.023 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.929 11.673 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.500 12.975 4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.698 11.236 4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.511 12.825 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.257 11.328 6.050 1.00 0.00 H new ATOM 827 N MET A 53 -2.174 12.552 2.849 1.00 0.00 N ATOM 828 CA MET A 53 -0.975 13.122 2.244 1.00 0.00 C ATOM 829 C MET A 53 0.143 12.090 2.166 1.00 0.00 C ATOM 830 O MET A 53 0.940 12.103 1.233 1.00 0.00 O ATOM 831 CB MET A 53 -0.487 14.336 3.040 1.00 0.00 C ATOM 832 CG MET A 53 -1.456 15.506 3.038 1.00 0.00 C ATOM 833 SD MET A 53 -0.804 16.942 3.911 1.00 0.00 S ATOM 834 CE MET A 53 -2.167 18.091 3.729 1.00 0.00 C ATOM 0 H MET A 53 -2.425 12.961 3.749 1.00 0.00 H new ATOM 0 HA MET A 53 -1.239 13.437 1.234 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.303 14.032 4.070 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.467 14.667 2.630 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.684 15.783 2.009 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.394 15.198 3.501 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.917 19.032 4.218 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.353 18.271 2.670 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.062 17.670 4.188 1.00 0.00 H new ATOM 844 N GLN A 54 0.189 11.195 3.145 1.00 0.00 N ATOM 845 CA GLN A 54 1.241 10.188 3.216 1.00 0.00 C ATOM 846 C GLN A 54 0.961 9.030 2.274 1.00 0.00 C ATOM 847 O GLN A 54 1.855 8.566 1.571 1.00 0.00 O ATOM 848 CB GLN A 54 1.393 9.689 4.649 1.00 0.00 C ATOM 849 CG GLN A 54 2.118 10.679 5.534 1.00 0.00 C ATOM 850 CD GLN A 54 1.967 10.382 7.011 1.00 0.00 C ATOM 851 OE1 GLN A 54 0.957 9.824 7.449 1.00 0.00 O ATOM 852 NE2 GLN A 54 2.965 10.766 7.791 1.00 0.00 N ATOM 0 H GLN A 54 -0.492 11.146 3.903 1.00 0.00 H new ATOM 0 HA GLN A 54 2.176 10.651 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.407 9.488 5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.936 8.744 4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.177 10.679 5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.741 11.681 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.782 11.224 7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.918 10.604 8.797 1.00 0.00 H new ATOM 861 N LEU A 55 -0.280 8.573 2.249 1.00 0.00 N ATOM 862 CA LEU A 55 -0.669 7.523 1.321 1.00 0.00 C ATOM 863 C LEU A 55 -0.527 8.039 -0.109 1.00 0.00 C ATOM 864 O LEU A 55 -0.113 7.315 -1.018 1.00 0.00 O ATOM 865 CB LEU A 55 -2.107 7.071 1.597 1.00 0.00 C ATOM 866 CG LEU A 55 -2.575 5.847 0.804 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.663 4.659 1.070 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.012 5.499 1.161 1.00 0.00 C ATOM 0 H LEU A 55 -1.029 8.908 2.854 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.017 6.660 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.203 6.852 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.779 7.902 1.380 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.530 6.088 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.011 3.798 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.645 4.907 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.679 4.419 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.328 4.627 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.079 5.277 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.660 6.343 0.925 1.00 0.00 H new ATOM 880 N LEU A 56 -0.843 9.312 -0.287 1.00 0.00 N ATOM 881 CA LEU A 56 -0.696 9.973 -1.573 1.00 0.00 C ATOM 882 C LEU A 56 0.787 10.192 -1.884 1.00 0.00 C ATOM 883 O LEU A 56 1.187 10.215 -3.048 1.00 0.00 O ATOM 884 CB LEU A 56 -1.472 11.302 -1.552 1.00 0.00 C ATOM 885 CG LEU A 56 -1.648 12.030 -2.890 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.475 12.952 -3.162 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.829 11.036 -4.027 1.00 0.00 C ATOM 0 H LEU A 56 -1.207 9.913 0.452 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.109 9.346 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.462 11.109 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.966 11.978 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.549 12.640 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.623 13.457 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.403 13.694 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.445 12.369 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.952 11.576 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.952 10.392 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.713 10.427 -3.840 1.00 0.00 H new ATOM 899 N GLU A 57 1.603 10.337 -0.842 1.00 0.00 N ATOM 900 CA GLU A 57 3.039 10.496 -1.026 1.00 0.00 C ATOM 901 C GLU A 57 3.648 9.186 -1.500 1.00 0.00 C ATOM 902 O GLU A 57 4.603 9.189 -2.263 1.00 0.00 O ATOM 903 CB GLU A 57 3.727 10.962 0.256 1.00 0.00 C ATOM 904 CG GLU A 57 5.161 11.409 0.021 1.00 0.00 C ATOM 905 CD GLU A 57 5.850 11.888 1.278 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.468 12.956 1.799 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.801 11.212 1.724 1.00 0.00 O ATOM 0 H GLU A 57 1.295 10.347 0.130 1.00 0.00 H new ATOM 0 HA GLU A 57 3.195 11.266 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.160 11.786 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.718 10.151 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.728 10.580 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.168 12.211 -0.717 1.00 0.00 H new ATOM 914 N VAL A 58 3.087 8.076 -1.045 1.00 0.00 N ATOM 915 CA VAL A 58 3.475 6.761 -1.542 1.00 0.00 C ATOM 916 C VAL A 58 3.245 6.682 -3.052 1.00 0.00 C ATOM 917 O VAL A 58 4.137 6.318 -3.823 1.00 0.00 O ATOM 918 CB VAL A 58 2.672 5.647 -0.837 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.899 4.303 -1.509 1.00 0.00 C ATOM 920 CG2 VAL A 58 3.036 5.574 0.639 1.00 0.00 C ATOM 0 H VAL A 58 2.359 8.058 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 58 4.534 6.616 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 58 1.613 5.892 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.322 3.536 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.580 4.358 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.958 4.050 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.459 4.783 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.100 5.360 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.810 6.527 1.117 1.00 0.00 H new ATOM 930 N ILE A 59 2.047 7.053 -3.464 1.00 0.00 N ATOM 931 CA ILE A 59 1.696 7.077 -4.876 1.00 0.00 C ATOM 932 C ILE A 59 2.599 8.055 -5.644 1.00 0.00 C ATOM 933 O ILE A 59 3.063 7.756 -6.745 1.00 0.00 O ATOM 934 CB ILE A 59 0.198 7.431 -5.060 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.665 6.163 -5.045 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.051 8.225 -6.334 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.668 5.433 -3.720 1.00 0.00 C ATOM 0 H ILE A 59 1.295 7.344 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 59 1.857 6.081 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.087 8.064 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.690 6.431 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.309 5.485 -5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.114 8.450 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.515 9.156 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.267 7.639 -7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.301 4.549 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.349 5.131 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.054 6.092 -2.942 1.00 0.00 H new ATOM 949 N ARG A 60 2.876 9.208 -5.039 1.00 0.00 N ATOM 950 CA ARG A 60 3.756 10.203 -5.650 1.00 0.00 C ATOM 951 C ARG A 60 5.220 9.764 -5.577 1.00 0.00 C ATOM 952 O ARG A 60 6.068 10.283 -6.295 1.00 0.00 O ATOM 953 CB ARG A 60 3.572 11.565 -4.980 1.00 0.00 C ATOM 954 CG ARG A 60 2.805 12.574 -5.828 1.00 0.00 C ATOM 955 CD ARG A 60 1.532 11.974 -6.414 1.00 0.00 C ATOM 956 NE ARG A 60 0.357 12.809 -6.159 1.00 0.00 N ATOM 957 CZ ARG A 60 -0.510 13.199 -7.096 1.00 0.00 C ATOM 958 NH1 ARG A 60 -0.257 12.979 -8.379 1.00 0.00 N ATOM 959 NH2 ARG A 60 -1.614 13.849 -6.742 1.00 0.00 N ATOM 0 H ARG A 60 2.505 9.477 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 60 3.483 10.292 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.047 11.426 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.553 11.977 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.550 13.441 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.444 12.929 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.656 11.843 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.370 10.983 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 60 0.189 13.114 -5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.605 12.509 -8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.924 13.280 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.796 14.048 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.280 14.149 -7.454 1.00 0.00 H new ATOM 973 N ARG A 61 5.502 8.810 -4.701 1.00 0.00 N ATOM 974 CA ARG A 61 6.823 8.199 -4.612 1.00 0.00 C ATOM 975 C ARG A 61 7.124 7.453 -5.904 1.00 0.00 C ATOM 976 O ARG A 61 8.240 7.503 -6.426 1.00 0.00 O ATOM 977 CB ARG A 61 6.872 7.250 -3.406 1.00 0.00 C ATOM 978 CG ARG A 61 8.037 6.277 -3.398 1.00 0.00 C ATOM 979 CD ARG A 61 9.361 6.964 -3.136 1.00 0.00 C ATOM 980 NE ARG A 61 10.450 5.994 -3.067 1.00 0.00 N ATOM 981 CZ ARG A 61 11.667 6.265 -2.616 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.985 7.501 -2.254 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.573 5.299 -2.548 1.00 0.00 N ATOM 0 H ARG A 61 4.826 8.438 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 61 7.580 8.971 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.912 7.847 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.943 6.681 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.867 5.518 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.082 5.761 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.563 7.686 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.306 7.522 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 61 10.262 5.044 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.292 8.247 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.922 7.706 -1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.332 4.352 -2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.511 5.503 -2.202 1.00 0.00 H new ATOM 997 N PHE A 62 6.114 6.767 -6.420 1.00 0.00 N ATOM 998 CA PHE A 62 6.225 6.122 -7.724 1.00 0.00 C ATOM 999 C PHE A 62 6.220 7.165 -8.838 1.00 0.00 C ATOM 1000 O PHE A 62 6.858 6.986 -9.878 1.00 0.00 O ATOM 1001 CB PHE A 62 5.086 5.124 -7.932 1.00 0.00 C ATOM 1002 CG PHE A 62 5.146 3.957 -6.992 1.00 0.00 C ATOM 1003 CD1 PHE A 62 5.870 2.826 -7.322 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.485 3.996 -5.777 1.00 0.00 C ATOM 1005 CE1 PHE A 62 5.933 1.752 -6.458 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.544 2.925 -4.910 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.268 1.801 -5.250 1.00 0.00 C ATOM 0 H PHE A 62 5.212 6.642 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 62 7.170 5.580 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.133 5.638 -7.803 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.115 4.758 -8.958 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.392 2.783 -8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.917 4.874 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.502 0.874 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.023 2.966 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.314 0.961 -4.572 1.00 0.00 H new ATOM 1017 N GLU A 63 5.513 8.263 -8.600 1.00 0.00 N ATOM 1018 CA GLU A 63 5.414 9.349 -9.567 1.00 0.00 C ATOM 1019 C GLU A 63 6.774 10.014 -9.787 1.00 0.00 C ATOM 1020 O GLU A 63 7.063 10.497 -10.879 1.00 0.00 O ATOM 1021 CB GLU A 63 4.389 10.379 -9.096 1.00 0.00 C ATOM 1022 CG GLU A 63 4.127 11.490 -10.096 1.00 0.00 C ATOM 1023 CD GLU A 63 3.117 12.491 -9.586 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.927 12.136 -9.481 1.00 0.00 O ATOM 1025 OE2 GLU A 63 3.508 13.640 -9.288 1.00 0.00 O ATOM 0 H GLU A 63 4.995 8.425 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 63 5.085 8.931 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.450 9.870 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.735 10.820 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.062 12.003 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.768 11.058 -11.030 1.00 0.00 H new ATOM 1032 N ASP A 64 7.609 10.024 -8.746 1.00 0.00 N ATOM 1033 CA ASP A 64 8.970 10.560 -8.853 1.00 0.00 C ATOM 1034 C ASP A 64 9.749 9.867 -9.968 1.00 0.00 C ATOM 1035 O ASP A 64 10.658 10.450 -10.554 1.00 0.00 O ATOM 1036 CB ASP A 64 9.749 10.396 -7.543 1.00 0.00 C ATOM 1037 CG ASP A 64 9.326 11.364 -6.455 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.461 12.591 -6.653 1.00 0.00 O ATOM 1039 OD2 ASP A 64 8.903 10.898 -5.376 1.00 0.00 O ATOM 0 H ASP A 64 7.369 9.668 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 64 8.866 11.621 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.620 9.376 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.812 10.531 -7.744 1.00 0.00 H new ATOM 1044 N ARG A 65 9.395 8.621 -10.252 1.00 0.00 N ATOM 1045 CA ARG A 65 10.073 7.857 -11.290 1.00 0.00 C ATOM 1046 C ARG A 65 9.201 7.743 -12.536 1.00 0.00 C ATOM 1047 O ARG A 65 9.522 7.003 -13.465 1.00 0.00 O ATOM 1048 CB ARG A 65 10.444 6.466 -10.775 1.00 0.00 C ATOM 1049 CG ARG A 65 11.368 6.496 -9.571 1.00 0.00 C ATOM 1050 CD ARG A 65 11.845 5.103 -9.190 1.00 0.00 C ATOM 1051 NE ARG A 65 10.740 4.194 -8.890 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.430 3.779 -7.658 1.00 0.00 C ATOM 1053 NH1 ARG A 65 11.100 4.235 -6.605 1.00 0.00 N ATOM 1054 NH2 ARG A 65 9.449 2.906 -7.479 1.00 0.00 N ATOM 0 H ARG A 65 8.644 8.119 -9.779 1.00 0.00 H new ATOM 0 HA ARG A 65 10.988 8.386 -11.558 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.533 5.929 -10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.923 5.905 -11.578 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.229 7.128 -9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.848 6.946 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.439 4.690 -10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.500 5.172 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 65 10.172 3.857 -9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.857 4.907 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.857 3.913 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.930 2.550 -8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.213 2.590 -6.538 1.00 0.00 H new ATOM 1068 N GLY A 66 8.102 8.487 -12.553 1.00 0.00 N ATOM 1069 CA GLY A 66 7.204 8.473 -13.692 1.00 0.00 C ATOM 1070 C GLY A 66 6.426 7.178 -13.809 1.00 0.00 C ATOM 1071 O GLY A 66 5.999 6.801 -14.898 1.00 0.00 O ATOM 0 H GLY A 66 7.815 9.104 -11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.505 9.305 -13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.779 8.630 -14.605 1.00 0.00 H new ATOM 1075 N ALA A 67 6.238 6.496 -12.688 1.00 0.00 N ATOM 1076 CA ALA A 67 5.532 5.222 -12.683 1.00 0.00 C ATOM 1077 C ALA A 67 4.040 5.425 -12.442 1.00 0.00 C ATOM 1078 O ALA A 67 3.600 5.579 -11.305 1.00 0.00 O ATOM 1079 CB ALA A 67 6.125 4.294 -11.635 1.00 0.00 C ATOM 0 H ALA A 67 6.564 6.803 -11.771 1.00 0.00 H new ATOM 0 HA ALA A 67 5.652 4.761 -13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.587 3.346 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.177 4.117 -11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.037 4.753 -10.650 1.00 0.00 H new ATOM 1085 N MET A 68 3.270 5.426 -13.522 1.00 0.00 N ATOM 1086 CA MET A 68 1.836 5.686 -13.447 1.00 0.00 C ATOM 1087 C MET A 68 1.070 4.445 -13.006 1.00 0.00 C ATOM 1088 O MET A 68 0.307 4.487 -12.037 1.00 0.00 O ATOM 1089 CB MET A 68 1.308 6.167 -14.801 1.00 0.00 C ATOM 1090 CG MET A 68 1.841 7.526 -15.243 1.00 0.00 C ATOM 1091 SD MET A 68 1.081 8.916 -14.368 1.00 0.00 S ATOM 1092 CE MET A 68 1.909 8.857 -12.779 1.00 0.00 C ATOM 0 H MET A 68 3.615 5.249 -14.465 1.00 0.00 H new ATOM 0 HA MET A 68 1.681 6.467 -12.703 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.563 5.427 -15.560 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.220 6.215 -14.756 1.00 0.00 H new ATOM 0 HG2 MET A 68 2.919 7.553 -15.086 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.672 7.644 -16.313 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.132 9.871 -12.447 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.262 8.370 -12.049 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.838 8.294 -12.873 1.00 0.00 H new ATOM 1102 N GLU A 69 1.267 3.340 -13.719 1.00 0.00 N ATOM 1103 CA GLU A 69 0.593 2.094 -13.378 1.00 0.00 C ATOM 1104 C GLU A 69 1.037 1.606 -12.010 1.00 0.00 C ATOM 1105 O GLU A 69 0.240 1.065 -11.254 1.00 0.00 O ATOM 1106 CB GLU A 69 0.852 0.997 -14.415 1.00 0.00 C ATOM 1107 CG GLU A 69 0.260 1.283 -15.784 1.00 0.00 C ATOM 1108 CD GLU A 69 1.159 2.142 -16.638 1.00 0.00 C ATOM 1109 OE1 GLU A 69 1.072 3.379 -16.544 1.00 0.00 O ATOM 1110 OE2 GLU A 69 1.962 1.576 -17.406 1.00 0.00 O ATOM 0 H GLU A 69 1.883 3.283 -14.530 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.476 2.305 -13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.928 0.857 -14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.443 0.057 -14.044 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.070 0.340 -16.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.703 1.780 -15.663 1.00 0.00 H new ATOM 1117 N ARG A 70 2.306 1.817 -11.691 1.00 0.00 N ATOM 1118 CA ARG A 70 2.853 1.371 -10.417 1.00 0.00 C ATOM 1119 C ARG A 70 2.284 2.199 -9.268 1.00 0.00 C ATOM 1120 O ARG A 70 2.136 1.707 -8.151 1.00 0.00 O ATOM 1121 CB ARG A 70 4.375 1.459 -10.431 1.00 0.00 C ATOM 1122 CG ARG A 70 5.055 0.225 -9.870 1.00 0.00 C ATOM 1123 CD ARG A 70 6.562 0.328 -9.991 1.00 0.00 C ATOM 1124 NE ARG A 70 7.224 -0.921 -9.630 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.729 -1.774 -10.520 1.00 0.00 C ATOM 1126 NH1 ARG A 70 7.650 -1.508 -11.819 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.313 -2.892 -10.111 1.00 0.00 N ATOM 0 H ARG A 70 2.975 2.293 -12.295 1.00 0.00 H new ATOM 0 HA ARG A 70 2.566 0.330 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.713 1.617 -11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.686 2.330 -9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.779 0.099 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.704 -0.660 -10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.826 0.596 -11.014 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.924 1.130 -9.347 1.00 0.00 H new ATOM 0 HE ARG A 70 7.305 -1.154 -8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.202 -0.649 -12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.038 -2.163 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.376 -3.099 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.699 -3.545 -10.793 1.00 0.00 H new ATOM 1141 N ALA A 71 1.951 3.452 -9.555 1.00 0.00 N ATOM 1142 CA ALA A 71 1.329 4.320 -8.568 1.00 0.00 C ATOM 1143 C ALA A 71 -0.065 3.811 -8.232 1.00 0.00 C ATOM 1144 O ALA A 71 -0.439 3.701 -7.065 1.00 0.00 O ATOM 1145 CB ALA A 71 1.268 5.747 -9.087 1.00 0.00 C ATOM 0 H ALA A 71 2.102 3.888 -10.465 1.00 0.00 H new ATOM 0 HA ALA A 71 1.930 4.311 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.800 6.387 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.278 6.104 -9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.682 5.775 -10.006 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.823 3.474 -9.266 1.00 0.00 N ATOM 1152 CA ASN A 72 -2.163 2.933 -9.082 1.00 0.00 C ATOM 1153 C ASN A 72 -2.091 1.481 -8.629 1.00 0.00 C ATOM 1154 O ASN A 72 -3.049 0.941 -8.075 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.981 3.054 -10.368 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.375 4.488 -10.662 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.410 4.966 -10.192 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -2.560 5.184 -11.442 1.00 0.00 N ATOM 0 H ASN A 72 -0.534 3.565 -10.240 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.663 3.515 -8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.403 2.659 -11.203 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.879 2.442 -10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.780 6.153 -11.674 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.713 4.751 -11.810 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.945 0.860 -8.875 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.669 -0.484 -8.393 1.00 0.00 C ATOM 1167 C LYS A 73 -0.595 -0.458 -6.874 1.00 0.00 C ATOM 1168 O LYS A 73 -1.288 -1.216 -6.194 1.00 0.00 O ATOM 1169 CB LYS A 73 0.656 -0.983 -8.978 1.00 0.00 C ATOM 1170 CG LYS A 73 0.789 -2.493 -9.049 1.00 0.00 C ATOM 1171 CD LYS A 73 2.178 -2.895 -9.528 1.00 0.00 C ATOM 1172 CE LYS A 73 2.196 -4.301 -10.103 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.426 -4.386 -11.372 1.00 0.00 N ATOM 0 H LYS A 73 -0.183 1.274 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.464 -1.160 -8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.771 -0.574 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.475 -0.588 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.600 -2.925 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.036 -2.897 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.519 -2.189 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.880 -2.834 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.227 -4.608 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.777 -4.997 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.737 -5.219 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.412 -4.471 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.590 -3.527 -11.936 1.00 0.00 H new ATOM 1187 N ALA A 74 0.240 0.441 -6.353 1.00 0.00 N ATOM 1188 CA ALA A 74 0.340 0.660 -4.916 1.00 0.00 C ATOM 1189 C ALA A 74 -1.016 1.060 -4.361 1.00 0.00 C ATOM 1190 O ALA A 74 -1.486 0.492 -3.385 1.00 0.00 O ATOM 1191 CB ALA A 74 1.377 1.735 -4.609 1.00 0.00 C ATOM 0 H ALA A 74 0.858 1.030 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 74 0.659 -0.267 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.438 1.885 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.350 1.421 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.086 2.669 -5.089 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.641 2.019 -5.029 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.970 2.505 -4.667 1.00 0.00 C ATOM 1199 C ARG A 75 -3.954 1.355 -4.431 1.00 0.00 C ATOM 1200 O ARG A 75 -4.634 1.307 -3.406 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.483 3.409 -5.790 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.880 3.966 -5.576 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.316 4.774 -6.785 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.641 5.366 -6.622 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.306 5.969 -7.612 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -6.776 6.033 -8.830 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -8.506 6.494 -7.388 1.00 0.00 N ATOM 0 H ARG A 75 -1.240 2.486 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.894 3.061 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.790 4.242 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.471 2.846 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.582 3.150 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.896 4.594 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.589 5.566 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.316 4.131 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.082 5.317 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.860 5.621 -9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.285 6.494 -9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.922 6.437 -6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.011 6.954 -8.146 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.012 0.424 -5.372 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.999 -0.646 -5.315 1.00 0.00 C ATOM 1223 C ARG A 76 -4.547 -1.773 -4.387 1.00 0.00 C ATOM 1224 O ARG A 76 -5.373 -2.446 -3.768 1.00 0.00 O ATOM 1225 CB ARG A 76 -5.264 -1.185 -6.720 1.00 0.00 C ATOM 1226 CG ARG A 76 -6.541 -2.001 -6.833 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.793 -2.431 -8.269 1.00 0.00 C ATOM 1228 NE ARG A 76 -5.787 -3.378 -8.740 1.00 0.00 N ATOM 1229 CZ ARG A 76 -5.116 -3.256 -9.881 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.259 -2.176 -10.638 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -4.280 -4.212 -10.253 1.00 0.00 N ATOM 0 H ARG A 76 -3.391 0.387 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.923 -0.235 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.316 -0.348 -7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.420 -1.803 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.471 -2.881 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.385 -1.412 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.781 -2.885 -8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.796 -1.553 -8.915 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.585 -4.188 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.889 -1.429 -10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.739 -2.093 -11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.154 -5.036 -9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.762 -4.125 -11.127 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.240 -1.980 -4.284 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.709 -3.015 -3.405 1.00 0.00 C ATOM 1247 C ARG A 77 -2.762 -2.573 -1.947 1.00 0.00 C ATOM 1248 O ARG A 77 -3.054 -3.376 -1.065 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.282 -3.401 -3.799 1.00 0.00 C ATOM 1250 CG ARG A 77 -1.195 -4.206 -5.087 1.00 0.00 C ATOM 1251 CD ARG A 77 -1.920 -5.537 -4.960 1.00 0.00 C ATOM 1252 NE ARG A 77 -1.789 -6.347 -6.172 1.00 0.00 N ATOM 1253 CZ ARG A 77 -2.584 -7.374 -6.481 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -3.557 -7.750 -5.662 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -2.398 -8.033 -7.617 1.00 0.00 N ATOM 0 H ARG A 77 -2.533 -1.450 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.339 -3.897 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.688 -2.494 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.836 -3.979 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.627 -3.632 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.149 -4.382 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.520 -6.089 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.975 -5.358 -4.755 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.041 -6.111 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.705 -7.253 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.157 -8.536 -5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.649 -7.755 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.004 -8.818 -7.856 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.490 -1.296 -1.691 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.637 -0.753 -0.348 1.00 0.00 C ATOM 1271 C CYS A 78 -4.100 -0.811 0.071 1.00 0.00 C ATOM 1272 O CYS A 78 -4.410 -1.190 1.198 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.118 0.686 -0.272 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.335 0.848 -0.537 1.00 0.00 S ATOM 0 H CYS A 78 -2.170 -0.625 -2.390 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.041 -1.358 0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.640 1.288 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.367 1.099 0.705 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.076 0.767 -1.808 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.994 -0.450 -0.854 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.419 -0.590 -0.612 1.00 0.00 C ATOM 1282 C GLY A 79 -6.792 -2.010 -0.237 1.00 0.00 C ATOM 1283 O GLY A 79 -7.678 -2.231 0.591 1.00 0.00 O ATOM 0 H GLY A 79 -4.752 -0.063 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.720 0.087 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.970 -0.294 -1.505 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.104 -2.974 -0.841 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.309 -4.378 -0.521 1.00 0.00 C ATOM 1289 C GLU A 80 -5.866 -4.665 0.910 1.00 0.00 C ATOM 1290 O GLU A 80 -6.540 -5.383 1.640 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.543 -5.271 -1.499 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.810 -6.754 -1.309 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.047 -7.614 -2.295 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -5.207 -7.406 -3.516 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.283 -8.499 -1.857 1.00 0.00 O ATOM 0 H GLU A 80 -5.398 -2.805 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.373 -4.599 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.809 -4.991 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.475 -5.086 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.536 -7.042 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.878 -6.944 -1.417 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.735 -4.089 1.303 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.236 -4.234 2.667 1.00 0.00 C ATOM 1304 C VAL A 81 -5.218 -3.625 3.668 1.00 0.00 C ATOM 1305 O VAL A 81 -5.499 -4.215 4.713 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.843 -3.583 2.843 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.329 -3.769 4.265 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.854 -4.159 1.841 1.00 0.00 C ATOM 0 H VAL A 81 -4.146 -3.517 0.697 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.138 -5.302 2.860 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.945 -2.514 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.349 -3.302 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.023 -3.305 4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.248 -4.833 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.880 -3.689 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.764 -5.234 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.208 -3.967 0.828 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.748 -2.450 3.334 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.777 -1.817 4.155 1.00 0.00 C ATOM 1320 C PHE A 82 -7.991 -2.731 4.279 1.00 0.00 C ATOM 1321 O PHE A 82 -8.509 -2.950 5.371 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.207 -0.472 3.559 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.182 0.625 3.683 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.855 1.152 4.921 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.553 1.135 2.561 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.917 2.161 5.036 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.615 2.143 2.669 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.297 2.657 3.908 1.00 0.00 C ATOM 0 H PHE A 82 -5.483 -1.919 2.504 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.354 -1.640 5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.441 -0.615 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.126 -0.150 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.339 0.770 5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.799 0.739 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.670 2.561 6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.131 2.528 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.564 3.446 3.995 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.422 -3.274 3.145 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.566 -4.178 3.102 1.00 0.00 C ATOM 1340 C ARG A 83 -9.270 -5.450 3.896 1.00 0.00 C ATOM 1341 O ARG A 83 -10.134 -5.973 4.600 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.890 -4.522 1.647 1.00 0.00 C ATOM 1343 CG ARG A 83 -11.158 -5.337 1.462 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.398 -5.633 -0.009 1.00 0.00 C ATOM 1345 NE ARG A 83 -12.651 -6.345 -0.237 1.00 0.00 N ATOM 1346 CZ ARG A 83 -12.967 -6.954 -1.378 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -12.111 -6.968 -2.391 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -14.142 -7.552 -1.510 1.00 0.00 N ATOM 0 H ARG A 83 -7.992 -3.102 2.236 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.427 -3.686 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.982 -3.596 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.052 -5.075 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.080 -6.271 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.009 -4.793 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.408 -4.697 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.570 -6.227 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.327 -6.378 0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.204 -6.510 -2.299 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.360 -7.436 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.807 -7.546 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.382 -8.018 -2.385 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.038 -5.928 3.779 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.573 -7.090 4.524 1.00 0.00 C ATOM 1364 C TYR A 84 -7.717 -6.839 6.019 1.00 0.00 C ATOM 1365 O TYR A 84 -8.167 -7.709 6.763 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.108 -7.380 4.168 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.516 -8.598 4.843 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.620 -9.853 4.260 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -4.831 -8.490 6.048 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.062 -10.967 4.858 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.264 -9.596 6.648 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.384 -10.833 6.050 1.00 0.00 C ATOM 1373 OH TYR A 84 -3.822 -11.938 6.646 1.00 0.00 O ATOM 0 H TYR A 84 -7.333 -5.521 3.165 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.178 -7.956 4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.030 -7.508 3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.507 -6.509 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.146 -9.961 3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.741 -7.524 6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.157 -11.937 4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.729 -9.493 7.581 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.594 -11.728 7.575 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.348 -5.639 6.447 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.449 -5.256 7.847 1.00 0.00 C ATOM 1385 C ALA A 85 -8.907 -5.192 8.294 1.00 0.00 C ATOM 1386 O ALA A 85 -9.228 -5.512 9.434 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.759 -3.925 8.082 1.00 0.00 C ATOM 0 H ALA A 85 -6.974 -4.910 5.839 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.948 -6.018 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.843 -3.652 9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.706 -4.008 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.231 -3.157 7.469 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.785 -4.787 7.388 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.216 -4.742 7.673 1.00 0.00 C ATOM 1395 C ILE A 86 -11.755 -6.152 7.917 1.00 0.00 C ATOM 1396 O ILE A 86 -12.549 -6.383 8.831 1.00 0.00 O ATOM 1397 CB ILE A 86 -12.003 -4.082 6.517 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.488 -2.662 6.266 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.495 -4.057 6.831 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.084 -2.002 5.041 1.00 0.00 C ATOM 0 H ILE A 86 -9.533 -4.484 6.447 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.352 -4.139 8.571 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.851 -4.673 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.705 -2.047 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.404 -2.693 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.033 -3.589 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.855 -5.077 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.665 -3.487 7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.670 -1.000 4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.845 -2.593 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.166 -1.938 5.153 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.298 -7.097 7.105 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.729 -8.485 7.222 1.00 0.00 C ATOM 1414 C VAL A 87 -11.089 -9.156 8.437 1.00 0.00 C ATOM 1415 O VAL A 87 -11.689 -10.020 9.070 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.381 -9.288 5.948 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.895 -10.719 6.039 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.940 -8.598 4.714 1.00 0.00 C ATOM 0 H VAL A 87 -10.627 -6.927 6.356 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.812 -8.477 7.348 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.295 -9.328 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.635 -11.258 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.440 -11.215 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.978 -10.710 6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.685 -9.177 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.024 -8.522 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.512 -7.599 4.630 1.00 0.00 H new ATOM 1428 N THR A 88 -9.876 -8.742 8.772 1.00 0.00 N ATOM 1429 CA THR A 88 -9.159 -9.329 9.897 1.00 0.00 C ATOM 1430 C THR A 88 -9.494 -8.617 11.208 1.00 0.00 C ATOM 1431 O THR A 88 -8.951 -8.950 12.263 1.00 0.00 O ATOM 1432 CB THR A 88 -7.633 -9.311 9.661 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.211 -8.015 9.224 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.235 -10.352 8.626 1.00 0.00 C ATOM 0 H THR A 88 -9.368 -8.005 8.284 1.00 0.00 H new ATOM 0 HA THR A 88 -9.486 -10.366 9.976 1.00 0.00 H new ATOM 0 HB THR A 88 -7.144 -9.548 10.606 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.203 -7.986 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.156 -10.321 8.476 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.525 -11.343 8.976 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.739 -10.139 7.683 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.397 -7.644 11.135 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.824 -6.928 12.325 1.00 0.00 C ATOM 1444 C GLY A 89 -9.717 -6.085 12.929 1.00 0.00 C ATOM 1445 O GLY A 89 -9.582 -6.000 14.149 1.00 0.00 O ATOM 0 H GLY A 89 -10.842 -7.337 10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.669 -6.286 12.074 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.177 -7.644 13.068 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.916 -5.480 12.070 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.836 -4.608 12.507 1.00 0.00 C ATOM 1451 C ARG A 90 -8.123 -3.166 12.112 1.00 0.00 C ATOM 1452 O ARG A 90 -7.502 -2.236 12.624 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.507 -5.056 11.900 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.008 -6.390 12.429 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.753 -6.832 11.698 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.159 -8.030 12.291 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.688 -9.057 11.584 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.820 -9.077 10.266 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.104 -10.074 12.203 1.00 0.00 N ATOM 0 H ARG A 90 -8.993 -5.577 11.058 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.767 -4.670 13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.617 -5.124 10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.753 -4.293 12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.801 -6.307 13.496 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.786 -7.145 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.994 -7.027 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.023 -6.022 11.711 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.102 -8.083 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.284 -8.304 9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.458 -9.865 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.016 -10.070 13.219 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.743 -10.860 11.663 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.071 -2.994 11.200 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.451 -1.680 10.710 1.00 0.00 C ATOM 1475 C ALA A 91 -10.876 -1.714 10.178 1.00 0.00 C ATOM 1476 O ALA A 91 -11.461 -2.788 10.029 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.496 -1.218 9.621 1.00 0.00 C ATOM 0 H ALA A 91 -9.596 -3.762 10.781 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.398 -0.973 11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.797 -0.232 9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.484 -1.166 10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.521 -1.925 8.791 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.427 -0.544 9.904 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.758 -0.435 9.327 1.00 0.00 C ATOM 1485 C LYS A 92 -12.763 0.605 8.215 1.00 0.00 C ATOM 1486 O LYS A 92 -12.985 0.281 7.051 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.782 -0.057 10.397 1.00 0.00 C ATOM 1488 CG LYS A 92 -15.153 0.271 9.832 1.00 0.00 C ATOM 1489 CD LYS A 92 -16.090 0.773 10.911 1.00 0.00 C ATOM 1490 CE LYS A 92 -17.380 1.310 10.321 1.00 0.00 C ATOM 1491 NZ LYS A 92 -18.300 1.798 11.378 1.00 0.00 N ATOM 0 H LYS A 92 -10.969 0.352 10.073 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.032 -1.405 8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.877 -0.880 11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.412 0.803 10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.056 1.026 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.577 -0.617 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.315 -0.037 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.598 1.557 11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.155 2.122 9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.871 0.527 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.172 2.158 10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.534 1.016 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.840 2.562 11.913 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.521 1.854 8.581 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.473 2.925 7.606 1.00 0.00 C ATOM 1507 C TYR A 93 -11.058 3.090 7.080 1.00 0.00 C ATOM 1508 O TYR A 93 -10.096 3.114 7.848 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.969 4.241 8.215 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.885 5.406 7.256 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.769 5.517 6.190 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.910 6.382 7.404 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.687 6.571 5.304 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.820 7.439 6.520 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.709 7.527 5.472 1.00 0.00 C ATOM 1516 OH TYR A 93 -12.627 8.577 4.588 1.00 0.00 O ATOM 0 H TYR A 93 -12.356 2.148 9.544 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.131 2.664 6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.003 4.118 8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.381 4.467 9.105 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.533 4.766 6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.210 6.314 8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.385 6.646 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.057 8.192 6.650 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.749 9.005 4.669 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.942 3.194 5.770 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.656 3.381 5.130 1.00 0.00 C ATOM 1528 C ASN A 94 -9.595 4.746 4.459 1.00 0.00 C ATOM 1529 O ASN A 94 -10.615 5.274 4.020 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.384 2.253 4.118 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.487 2.066 3.082 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.163 3.011 2.680 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.675 0.831 2.643 1.00 0.00 N ATOM 0 H ASN A 94 -11.731 3.152 5.124 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.877 3.340 5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.447 2.461 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.248 1.318 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.399 0.641 1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.096 0.070 2.998 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.402 5.353 4.391 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.197 6.638 3.721 1.00 0.00 C ATOM 1542 C PRO A 95 -8.138 6.495 2.200 1.00 0.00 C ATOM 1543 O PRO A 95 -7.503 7.295 1.521 1.00 0.00 O ATOM 1544 CB PRO A 95 -6.837 7.121 4.261 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.432 6.133 5.307 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.163 4.862 4.993 1.00 0.00 C ATOM 0 HA PRO A 95 -9.017 7.329 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.096 7.170 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.918 8.123 4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.354 5.974 5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.690 6.494 6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.601 4.229 4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.353 4.271 5.889 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.818 5.484 1.668 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.824 5.240 0.229 1.00 0.00 C ATOM 1556 C ALA A 96 -9.607 6.325 -0.526 1.00 0.00 C ATOM 1557 O ALA A 96 -9.111 6.856 -1.521 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.362 3.850 -0.084 1.00 0.00 C ATOM 0 H ALA A 96 -9.371 4.821 2.211 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.792 5.287 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.357 3.692 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.733 3.100 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.382 3.762 0.290 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.838 6.687 -0.083 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.575 7.807 -0.681 1.00 0.00 C ATOM 1566 C PRO A 97 -10.810 9.122 -0.538 1.00 0.00 C ATOM 1567 O PRO A 97 -10.871 9.994 -1.409 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.888 7.861 0.111 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.628 7.085 1.357 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.620 6.038 0.989 1.00 0.00 C ATOM 0 HA PRO A 97 -11.730 7.667 -1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.168 8.889 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.709 7.426 -0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.248 7.732 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.545 6.630 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.992 5.767 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.099 5.123 0.641 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.074 9.245 0.561 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.251 10.423 0.810 1.00 0.00 C ATOM 1580 C ASP A 98 -8.041 10.426 -0.117 1.00 0.00 C ATOM 1581 O ASP A 98 -7.607 11.475 -0.584 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.785 10.461 2.268 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.932 10.583 3.253 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.464 11.705 3.420 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.302 9.561 3.872 1.00 0.00 O ATOM 0 H ASP A 98 -10.031 8.540 1.297 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.856 11.308 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.220 9.555 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.105 11.302 2.405 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.507 9.238 -0.374 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.390 9.060 -1.299 1.00 0.00 C ATOM 1592 C LEU A 99 -6.774 9.570 -2.685 1.00 0.00 C ATOM 1593 O LEU A 99 -6.004 10.273 -3.333 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.993 7.569 -1.342 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.805 7.176 -2.241 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.230 7.048 -3.697 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.667 8.174 -2.102 1.00 0.00 C ATOM 0 H LEU A 99 -7.834 8.371 0.051 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.531 9.637 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.764 7.252 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.863 6.998 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.450 6.201 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.369 6.770 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.999 6.281 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.627 8.002 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.840 7.875 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.014 9.165 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.329 8.199 -1.066 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.974 9.218 -3.126 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.460 9.644 -4.431 1.00 0.00 C ATOM 1611 C ALA A 100 -8.608 11.161 -4.483 1.00 0.00 C ATOM 1612 O ALA A 100 -8.248 11.798 -5.478 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.781 8.962 -4.751 1.00 0.00 C ATOM 0 H ALA A 100 -8.628 8.639 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.729 9.351 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.132 9.290 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.640 7.881 -4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.519 9.225 -3.994 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.117 11.740 -3.400 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.298 13.185 -3.319 1.00 0.00 C ATOM 1621 C ASP A 101 -7.951 13.893 -3.266 1.00 0.00 C ATOM 1622 O ASP A 101 -7.747 14.905 -3.926 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.141 13.563 -2.098 1.00 0.00 C ATOM 1624 CG ASP A 101 -10.367 15.060 -1.995 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.183 15.596 -2.773 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -9.739 15.706 -1.132 1.00 0.00 O ATOM 0 H ASP A 101 -9.411 11.231 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.827 13.507 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.104 13.055 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.646 13.210 -1.194 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.025 13.334 -2.500 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.687 13.902 -2.369 1.00 0.00 C ATOM 1633 C ALA A 102 -4.886 13.722 -3.654 1.00 0.00 C ATOM 1634 O ALA A 102 -3.876 14.389 -3.870 1.00 0.00 O ATOM 1635 CB ALA A 102 -4.954 13.271 -1.194 1.00 0.00 C ATOM 0 H ALA A 102 -7.175 12.484 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.792 14.971 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.958 13.706 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.510 13.458 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.868 12.196 -1.353 1.00 0.00 H new ATOM 1641 N MET A 103 -5.333 12.809 -4.503 1.00 0.00 N ATOM 1642 CA MET A 103 -4.695 12.586 -5.791 1.00 0.00 C ATOM 1643 C MET A 103 -5.151 13.629 -6.802 1.00 0.00 C ATOM 1644 O MET A 103 -4.332 14.276 -7.458 1.00 0.00 O ATOM 1645 CB MET A 103 -5.010 11.179 -6.308 1.00 0.00 C ATOM 1646 CG MET A 103 -4.428 10.886 -7.683 1.00 0.00 C ATOM 1647 SD MET A 103 -4.752 9.200 -8.229 1.00 0.00 S ATOM 1648 CE MET A 103 -3.839 8.269 -7.003 1.00 0.00 C ATOM 0 H MET A 103 -6.138 12.209 -4.322 1.00 0.00 H new ATOM 0 HA MET A 103 -3.617 12.678 -5.658 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.626 10.447 -5.598 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.092 11.050 -6.346 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.847 11.585 -8.407 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.352 11.056 -7.661 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.185 7.553 -7.502 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.238 8.951 -6.401 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.537 7.735 -6.358 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.456 13.802 -6.909 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.028 14.711 -7.894 1.00 0.00 C ATOM 1660 C LYS A 104 -7.015 16.156 -7.396 1.00 0.00 C ATOM 1661 O LYS A 104 -6.789 17.090 -8.169 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.454 14.281 -8.243 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.109 15.149 -9.303 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.490 14.637 -9.671 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.199 15.587 -10.623 1.00 0.00 C ATOM 1666 NZ LYS A 104 -11.478 16.903 -9.991 1.00 0.00 N ATOM 0 H LYS A 104 -7.144 13.325 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.412 14.664 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.438 13.248 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.063 14.304 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.186 16.173 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.480 15.173 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.404 13.654 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.086 14.513 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.585 15.734 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.136 15.137 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.185 17.416 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.844 16.755 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.601 17.459 -9.946 1.00 0.00 H new