USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 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 Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 8 SER OG : rot -90:sc= 0.487 USER MOD Single : A 5 ASN : amide:sc= -1.05 K(o=-1,f=-2.6!) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= -0.0191 (180deg=-0.15) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 146:sc= 1.29 (180deg=1.19) USER MOD Single : A 19 LYS NZ :NH3+ 131:sc= 1.26 (180deg=0.382) USER MOD Single : A 20 GLN : amide:sc=-0.00309 K(o=-0.0031,f=-0.9) 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 85:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= 0.9 (180deg=-0.296) USER MOD Single : A 33 MET CE :methyl 153:sc= -0.271 (180deg=-1.1) USER MOD Single : A 48 GLN : amide:sc= 1.18 K(o=1.2,f=-1) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.575 K(o=0.57,f=-0.91) USER MOD Single : A 68 MET CE :methyl -161:sc= -4.11! (180deg=-4.97!) USER MOD Single : A 72 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.66) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.118) USER MOD Single : A 78 CYS SG : rot 82:sc= 0.166 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -33:sc= 0.118 USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= -0.156 (180deg=-0.673) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-4.4!) USER MOD Single : A 103 MET CE :methyl -136:sc= -0.199 (180deg=-2.55!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -1.554 -2.555 14.958 1.00 0.00 N ATOM 54 CA ASN A 5 -2.289 -2.079 13.793 1.00 0.00 C ATOM 55 C ASN A 5 -1.355 -1.391 12.815 1.00 0.00 C ATOM 56 O ASN A 5 -1.804 -0.721 11.888 1.00 0.00 O ATOM 57 CB ASN A 5 -3.404 -1.110 14.198 1.00 0.00 C ATOM 58 CG ASN A 5 -4.566 -1.797 14.887 1.00 0.00 C ATOM 59 OD1 ASN A 5 -5.505 -2.252 14.238 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.514 -1.868 16.207 1.00 0.00 N ATOM 0 HA ASN A 5 -2.738 -2.949 13.313 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.993 -0.350 14.862 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.769 -0.594 13.310 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.272 -2.313 16.724 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.716 -1.477 16.708 1.00 0.00 H new ATOM 67 N SER A 6 -0.056 -1.561 13.016 1.00 0.00 N ATOM 68 CA SER A 6 0.924 -0.939 12.149 1.00 0.00 C ATOM 69 C SER A 6 0.822 -1.539 10.755 1.00 0.00 C ATOM 70 O SER A 6 0.631 -2.749 10.600 1.00 0.00 O ATOM 71 CB SER A 6 2.338 -1.121 12.709 1.00 0.00 C ATOM 72 OG SER A 6 3.278 -0.313 12.018 1.00 0.00 O ATOM 0 H SER A 6 0.339 -2.123 13.770 1.00 0.00 H new ATOM 0 HA SER A 6 0.720 0.130 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.347 -0.866 13.769 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.630 -2.168 12.631 1.00 0.00 H new ATOM 0 HG SER A 6 4.170 -0.450 12.399 1.00 0.00 H new ATOM 78 N PHE A 7 0.937 -0.686 9.747 1.00 0.00 N ATOM 79 CA PHE A 7 0.786 -1.108 8.364 1.00 0.00 C ATOM 80 C PHE A 7 1.780 -2.216 8.022 1.00 0.00 C ATOM 81 O PHE A 7 1.445 -3.151 7.303 1.00 0.00 O ATOM 82 CB PHE A 7 0.973 0.086 7.424 1.00 0.00 C ATOM 83 CG PHE A 7 0.480 -0.166 6.027 1.00 0.00 C ATOM 84 CD1 PHE A 7 1.320 -0.695 5.062 1.00 0.00 C ATOM 85 CD2 PHE A 7 -0.829 0.129 5.680 1.00 0.00 C ATOM 86 CE1 PHE A 7 0.864 -0.926 3.780 1.00 0.00 C ATOM 87 CE2 PHE A 7 -1.291 -0.098 4.398 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.442 -0.626 3.446 1.00 0.00 C ATOM 0 H PHE A 7 1.136 0.308 9.864 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.221 -1.504 8.234 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.448 0.948 7.836 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.031 0.346 7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.343 -0.929 5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.497 0.542 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.529 -1.342 3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.313 0.137 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.798 -0.804 2.442 1.00 0.00 H new ATOM 98 N SER A 8 2.989 -2.116 8.563 1.00 0.00 N ATOM 99 CA SER A 8 4.028 -3.110 8.319 1.00 0.00 C ATOM 100 C SER A 8 3.609 -4.492 8.825 1.00 0.00 C ATOM 101 O SER A 8 3.862 -5.505 8.170 1.00 0.00 O ATOM 102 CB SER A 8 5.330 -2.670 8.991 1.00 0.00 C ATOM 103 OG SER A 8 5.099 -2.272 10.334 1.00 0.00 O ATOM 0 H SER A 8 3.275 -1.353 9.176 1.00 0.00 H new ATOM 0 HA SER A 8 4.183 -3.186 7.243 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.050 -3.488 8.969 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.770 -1.843 8.433 1.00 0.00 H new ATOM 0 HG SER A 8 4.898 -1.313 10.361 1.00 0.00 H new ATOM 109 N ALA A 9 2.952 -4.518 9.979 1.00 0.00 N ATOM 110 CA ALA A 9 2.528 -5.768 10.598 1.00 0.00 C ATOM 111 C ALA A 9 1.483 -6.476 9.742 1.00 0.00 C ATOM 112 O ALA A 9 1.628 -7.654 9.409 1.00 0.00 O ATOM 113 CB ALA A 9 1.983 -5.503 11.995 1.00 0.00 C ATOM 0 H ALA A 9 2.700 -3.682 10.507 1.00 0.00 H new ATOM 0 HA ALA A 9 3.396 -6.423 10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.669 -6.444 12.448 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.760 -5.047 12.608 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.129 -4.829 11.931 1.00 0.00 H new ATOM 119 N ILE A 10 0.444 -5.741 9.370 1.00 0.00 N ATOM 120 CA ILE A 10 -0.645 -6.297 8.576 1.00 0.00 C ATOM 121 C ILE A 10 -0.171 -6.615 7.157 1.00 0.00 C ATOM 122 O ILE A 10 -0.608 -7.593 6.548 1.00 0.00 O ATOM 123 CB ILE A 10 -1.847 -5.329 8.539 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.290 -5.007 9.969 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.999 -5.926 7.743 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.471 -4.067 10.054 1.00 0.00 C ATOM 0 H ILE A 10 0.331 -4.755 9.606 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.968 -7.225 9.048 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.542 -4.407 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.543 -5.937 10.477 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.450 -4.568 10.507 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.834 -5.226 7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.673 -6.120 6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.316 -6.861 8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.721 -3.891 11.100 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.218 -3.120 9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.327 -4.511 9.546 1.00 0.00 H new ATOM 138 N TYR A 11 0.738 -5.791 6.648 1.00 0.00 N ATOM 139 CA TYR A 11 1.357 -6.032 5.348 1.00 0.00 C ATOM 140 C TYR A 11 2.108 -7.360 5.348 1.00 0.00 C ATOM 141 O TYR A 11 2.079 -8.098 4.362 1.00 0.00 O ATOM 142 CB TYR A 11 2.305 -4.880 4.994 1.00 0.00 C ATOM 143 CG TYR A 11 3.278 -5.201 3.881 1.00 0.00 C ATOM 144 CD1 TYR A 11 2.841 -5.392 2.577 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.638 -5.311 4.141 1.00 0.00 C ATOM 146 CE1 TYR A 11 3.731 -5.692 1.565 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.533 -5.609 3.134 1.00 0.00 C ATOM 148 CZ TYR A 11 5.075 -5.797 1.850 1.00 0.00 C ATOM 149 OH TYR A 11 5.964 -6.091 0.845 1.00 0.00 O ATOM 0 H TYR A 11 1.064 -4.946 7.118 1.00 0.00 H new ATOM 0 HA TYR A 11 0.572 -6.085 4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.713 -4.012 4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.868 -4.600 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.789 -5.305 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.001 -5.161 5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.376 -5.843 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.587 -5.694 3.352 1.00 0.00 H new ATOM 0 HH TYR A 11 6.872 -6.128 1.212 1.00 0.00 H new ATOM 159 N LYS A 12 2.772 -7.661 6.458 1.00 0.00 N ATOM 160 CA LYS A 12 3.520 -8.903 6.586 1.00 0.00 C ATOM 161 C LYS A 12 2.580 -10.100 6.483 1.00 0.00 C ATOM 162 O LYS A 12 2.860 -11.055 5.756 1.00 0.00 O ATOM 163 CB LYS A 12 4.279 -8.940 7.915 1.00 0.00 C ATOM 164 CG LYS A 12 5.186 -10.152 8.066 1.00 0.00 C ATOM 165 CD LYS A 12 6.301 -10.150 7.032 1.00 0.00 C ATOM 166 CE LYS A 12 7.180 -11.384 7.152 1.00 0.00 C ATOM 167 NZ LYS A 12 7.865 -11.461 8.471 1.00 0.00 N ATOM 0 H LYS A 12 2.807 -7.061 7.282 1.00 0.00 H new ATOM 0 HA LYS A 12 4.244 -8.954 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.879 -8.034 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.560 -8.930 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.617 -10.162 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.596 -11.063 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.870 -10.106 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.911 -9.255 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.571 -12.277 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.926 -11.375 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.566 -12.229 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.344 -10.559 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.164 -11.649 9.216 1.00 0.00 H new ATOM 181 N GLU A 13 1.462 -10.031 7.201 1.00 0.00 N ATOM 182 CA GLU A 13 0.447 -11.082 7.154 1.00 0.00 C ATOM 183 C GLU A 13 -0.079 -11.252 5.731 1.00 0.00 C ATOM 184 O GLU A 13 -0.144 -12.365 5.203 1.00 0.00 O ATOM 185 CB GLU A 13 -0.719 -10.743 8.088 1.00 0.00 C ATOM 186 CG GLU A 13 -0.324 -10.585 9.547 1.00 0.00 C ATOM 187 CD GLU A 13 -1.513 -10.279 10.437 1.00 0.00 C ATOM 188 OE1 GLU A 13 -2.344 -11.188 10.658 1.00 0.00 O ATOM 189 OE2 GLU A 13 -1.630 -9.133 10.916 1.00 0.00 O ATOM 0 H GLU A 13 1.235 -9.256 7.824 1.00 0.00 H new ATOM 0 HA GLU A 13 0.909 -12.014 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.185 -9.819 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.472 -11.527 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.158 -11.500 9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.410 -9.784 9.637 1.00 0.00 H new ATOM 196 N TRP A 14 -0.437 -10.129 5.122 1.00 0.00 N ATOM 197 CA TRP A 14 -0.966 -10.103 3.765 1.00 0.00 C ATOM 198 C TRP A 14 0.024 -10.710 2.769 1.00 0.00 C ATOM 199 O TRP A 14 -0.329 -11.616 2.007 1.00 0.00 O ATOM 200 CB TRP A 14 -1.300 -8.655 3.387 1.00 0.00 C ATOM 201 CG TRP A 14 -1.666 -8.451 1.948 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.827 -8.818 1.331 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.867 -7.808 0.950 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.793 -8.443 0.009 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.602 -7.822 -0.247 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.402 -7.224 0.955 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.111 -7.270 -1.428 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.888 -6.677 -0.217 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.132 -6.703 -1.395 1.00 0.00 C ATOM 0 H TRP A 14 -0.368 -9.209 5.556 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.872 -10.708 3.726 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.127 -8.313 4.010 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.442 -8.025 3.622 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.650 -9.327 1.810 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.536 -8.602 -0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.993 -7.200 1.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.692 -7.289 -2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.867 -6.222 -0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.539 -6.267 -2.295 1.00 0.00 H new ATOM 220 N TYR A 15 1.261 -10.223 2.793 1.00 0.00 N ATOM 221 CA TYR A 15 2.281 -10.690 1.864 1.00 0.00 C ATOM 222 C TYR A 15 2.597 -12.165 2.074 1.00 0.00 C ATOM 223 O TYR A 15 2.575 -12.941 1.123 1.00 0.00 O ATOM 224 CB TYR A 15 3.566 -9.867 1.989 1.00 0.00 C ATOM 225 CG TYR A 15 4.699 -10.422 1.155 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.575 -10.542 -0.225 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.884 -10.841 1.747 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.600 -11.062 -0.989 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.916 -11.360 0.986 1.00 0.00 C ATOM 230 CZ TYR A 15 6.767 -11.471 -0.380 1.00 0.00 C ATOM 231 OH TYR A 15 7.790 -11.985 -1.145 1.00 0.00 O ATOM 0 H TYR A 15 1.580 -9.506 3.445 1.00 0.00 H new ATOM 0 HA TYR A 15 1.875 -10.561 0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.366 -8.840 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.872 -9.835 3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.662 -10.223 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.001 -10.760 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.488 -11.148 -2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.834 -11.677 1.459 1.00 0.00 H new ATOM 0 HH TYR A 15 8.543 -12.225 -0.566 1.00 0.00 H new ATOM 241 N GLU A 16 2.882 -12.550 3.314 1.00 0.00 N ATOM 242 CA GLU A 16 3.296 -13.918 3.610 1.00 0.00 C ATOM 243 C GLU A 16 2.224 -14.914 3.175 1.00 0.00 C ATOM 244 O GLU A 16 2.530 -15.992 2.662 1.00 0.00 O ATOM 245 CB GLU A 16 3.579 -14.081 5.103 1.00 0.00 C ATOM 246 CG GLU A 16 4.360 -15.340 5.439 1.00 0.00 C ATOM 247 CD GLU A 16 5.780 -15.041 5.872 1.00 0.00 C ATOM 248 OE1 GLU A 16 6.673 -14.989 5.001 1.00 0.00 O ATOM 249 OE2 GLU A 16 6.014 -14.861 7.088 1.00 0.00 O ATOM 0 H GLU A 16 2.834 -11.937 4.128 1.00 0.00 H new ATOM 0 HA GLU A 16 4.210 -14.121 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.136 -13.213 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.633 -14.095 5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.847 -15.881 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.379 -15.996 4.568 1.00 0.00 H new ATOM 256 N HIS A 17 0.967 -14.537 3.367 1.00 0.00 N ATOM 257 CA HIS A 17 -0.158 -15.385 2.998 1.00 0.00 C ATOM 258 C HIS A 17 -0.301 -15.489 1.478 1.00 0.00 C ATOM 259 O HIS A 17 -0.334 -16.587 0.922 1.00 0.00 O ATOM 260 CB HIS A 17 -1.448 -14.843 3.629 1.00 0.00 C ATOM 261 CG HIS A 17 -2.701 -15.513 3.152 1.00 0.00 C ATOM 262 ND1 HIS A 17 -2.933 -16.868 3.260 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.792 -14.996 2.543 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.112 -17.152 2.737 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.652 -16.033 2.297 1.00 0.00 N ATOM 0 H HIS A 17 0.700 -13.643 3.779 1.00 0.00 H new ATOM 0 HA HIS A 17 0.029 -16.389 3.379 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.382 -14.952 4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.519 -13.776 3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.955 -13.957 2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.558 -18.134 2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.563 -15.952 1.846 1.00 0.00 H new ATOM 274 N LYS A 18 -0.366 -14.349 0.801 1.00 0.00 N ATOM 275 CA LYS A 18 -0.611 -14.343 -0.638 1.00 0.00 C ATOM 276 C LYS A 18 0.662 -14.638 -1.427 1.00 0.00 C ATOM 277 O LYS A 18 0.636 -14.723 -2.656 1.00 0.00 O ATOM 278 CB LYS A 18 -1.236 -13.019 -1.079 1.00 0.00 C ATOM 279 CG LYS A 18 -2.623 -12.800 -0.491 1.00 0.00 C ATOM 280 CD LYS A 18 -3.344 -11.627 -1.136 1.00 0.00 C ATOM 281 CE LYS A 18 -3.558 -11.854 -2.625 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.469 -10.839 -3.218 1.00 0.00 N ATOM 0 H LYS A 18 -0.254 -13.425 1.219 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.320 -15.142 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.585 -12.197 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.299 -12.996 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.217 -13.705 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.537 -12.626 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.307 -11.478 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.765 -10.716 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.597 -11.823 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.972 -12.850 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.174 -10.636 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.442 -11.205 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.429 -9.965 -2.655 1.00 0.00 H new ATOM 296 N LYS A 19 1.765 -14.815 -0.714 1.00 0.00 N ATOM 297 CA LYS A 19 3.015 -15.255 -1.318 1.00 0.00 C ATOM 298 C LYS A 19 2.858 -16.671 -1.867 1.00 0.00 C ATOM 299 O LYS A 19 3.560 -17.076 -2.795 1.00 0.00 O ATOM 300 CB LYS A 19 4.149 -15.188 -0.285 1.00 0.00 C ATOM 301 CG LYS A 19 5.450 -15.830 -0.737 1.00 0.00 C ATOM 302 CD LYS A 19 6.586 -15.548 0.232 1.00 0.00 C ATOM 303 CE LYS A 19 6.235 -15.978 1.646 1.00 0.00 C ATOM 304 NZ LYS A 19 7.389 -15.849 2.568 1.00 0.00 N ATOM 0 H LYS A 19 1.819 -14.659 0.293 1.00 0.00 H new ATOM 0 HA LYS A 19 3.268 -14.593 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.340 -14.143 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.817 -15.675 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.311 -16.907 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.715 -15.456 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.483 -16.072 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.818 -14.483 0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.407 -15.372 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.893 -17.013 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.092 -15.345 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.736 -16.795 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.150 -15.316 2.100 1.00 0.00 H new ATOM 318 N GLN A 20 1.912 -17.412 -1.301 1.00 0.00 N ATOM 319 CA GLN A 20 1.609 -18.759 -1.768 1.00 0.00 C ATOM 320 C GLN A 20 0.767 -18.698 -3.038 1.00 0.00 C ATOM 321 O GLN A 20 0.704 -19.657 -3.806 1.00 0.00 O ATOM 322 CB GLN A 20 0.838 -19.535 -0.700 1.00 0.00 C ATOM 323 CG GLN A 20 1.519 -19.576 0.656 1.00 0.00 C ATOM 324 CD GLN A 20 0.667 -20.268 1.701 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.563 -20.252 1.627 1.00 0.00 O ATOM 326 NE2 GLN A 20 1.308 -20.884 2.677 1.00 0.00 N ATOM 0 H GLN A 20 1.340 -17.101 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 20 2.551 -19.266 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.149 -19.088 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.686 -20.557 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.474 -20.094 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.738 -18.559 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.328 -20.875 2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.784 -21.369 3.405 1.00 0.00 H new ATOM 335 N VAL A 21 0.122 -17.560 -3.245 1.00 0.00 N ATOM 336 CA VAL A 21 -0.806 -17.393 -4.353 1.00 0.00 C ATOM 337 C VAL A 21 -0.076 -16.931 -5.609 1.00 0.00 C ATOM 338 O VAL A 21 -0.341 -17.415 -6.712 1.00 0.00 O ATOM 339 CB VAL A 21 -1.914 -16.374 -4.001 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.959 -16.306 -5.104 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.563 -16.720 -2.668 1.00 0.00 C ATOM 0 H VAL A 21 0.225 -16.734 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.264 -18.364 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.451 -15.391 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.728 -15.582 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.485 -15.999 -6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.415 -17.288 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.339 -15.990 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.006 -17.714 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.809 -16.704 -1.881 1.00 0.00 H new ATOM 351 N TRP A 22 0.848 -16.004 -5.438 1.00 0.00 N ATOM 352 CA TRP A 22 1.592 -15.460 -6.564 1.00 0.00 C ATOM 353 C TRP A 22 2.860 -16.265 -6.808 1.00 0.00 C ATOM 354 O TRP A 22 3.276 -17.059 -5.964 1.00 0.00 O ATOM 355 CB TRP A 22 1.969 -13.996 -6.315 1.00 0.00 C ATOM 356 CG TRP A 22 0.817 -13.116 -5.941 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.474 -13.207 -6.378 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.866 -11.986 -5.063 1.00 0.00 C ATOM 359 NE1 TRP A 22 -1.233 -12.211 -5.810 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.431 -11.448 -5.001 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.883 -11.383 -4.316 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.736 -10.333 -4.226 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.578 -10.275 -3.549 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.277 -9.763 -3.508 1.00 0.00 C ATOM 0 H TRP A 22 1.103 -15.611 -4.532 1.00 0.00 H new ATOM 0 HA TRP A 22 0.949 -15.520 -7.442 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.714 -13.955 -5.521 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.439 -13.597 -7.214 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.844 -13.951 -7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.230 -12.064 -5.965 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.889 -11.776 -4.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.738 -9.932 -4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.356 -9.797 -2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.069 -8.898 -2.895 1.00 0.00 H new ATOM 375 N SER A 23 3.459 -16.067 -7.971 1.00 0.00 N ATOM 376 CA SER A 23 4.770 -16.623 -8.256 1.00 0.00 C ATOM 377 C SER A 23 5.803 -15.911 -7.390 1.00 0.00 C ATOM 378 O SER A 23 5.691 -14.703 -7.168 1.00 0.00 O ATOM 379 CB SER A 23 5.093 -16.442 -9.739 1.00 0.00 C ATOM 380 OG SER A 23 4.017 -16.890 -10.548 1.00 0.00 O ATOM 0 H SER A 23 3.056 -15.524 -8.734 1.00 0.00 H new ATOM 0 HA SER A 23 4.785 -17.689 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.296 -15.391 -9.946 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.997 -16.997 -9.989 1.00 0.00 H new ATOM 0 HG SER A 23 4.244 -16.764 -11.493 1.00 0.00 H new ATOM 386 N VAL A 24 6.802 -16.639 -6.901 1.00 0.00 N ATOM 387 CA VAL A 24 7.757 -16.067 -5.955 1.00 0.00 C ATOM 388 C VAL A 24 8.526 -14.900 -6.578 1.00 0.00 C ATOM 389 O VAL A 24 8.892 -13.951 -5.885 1.00 0.00 O ATOM 390 CB VAL A 24 8.742 -17.128 -5.406 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.707 -17.605 -6.480 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.496 -16.586 -4.199 1.00 0.00 C ATOM 0 H VAL A 24 6.972 -17.616 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 24 7.175 -15.690 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 24 8.157 -17.991 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.383 -18.349 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.146 -18.050 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.285 -16.759 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.183 -17.346 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.059 -15.699 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.786 -16.324 -3.414 1.00 0.00 H new ATOM 402 N GLY A 25 8.746 -14.958 -7.888 1.00 0.00 N ATOM 403 CA GLY A 25 9.398 -13.862 -8.580 1.00 0.00 C ATOM 404 C GLY A 25 8.566 -12.596 -8.531 1.00 0.00 C ATOM 405 O GLY A 25 9.069 -11.519 -8.209 1.00 0.00 O ATOM 0 H GLY A 25 8.484 -15.745 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.373 -13.675 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.576 -14.141 -9.619 1.00 0.00 H new ATOM 409 N TYR A 26 7.280 -12.736 -8.827 1.00 0.00 N ATOM 410 CA TYR A 26 6.355 -11.613 -8.788 1.00 0.00 C ATOM 411 C TYR A 26 6.162 -11.133 -7.353 1.00 0.00 C ATOM 412 O TYR A 26 6.174 -9.931 -7.084 1.00 0.00 O ATOM 413 CB TYR A 26 5.007 -12.018 -9.394 1.00 0.00 C ATOM 414 CG TYR A 26 3.945 -10.941 -9.314 1.00 0.00 C ATOM 415 CD1 TYR A 26 3.964 -9.851 -10.175 1.00 0.00 C ATOM 416 CD2 TYR A 26 2.922 -11.018 -8.376 1.00 0.00 C ATOM 417 CE1 TYR A 26 2.995 -8.868 -10.103 1.00 0.00 C ATOM 418 CE2 TYR A 26 1.950 -10.040 -8.299 1.00 0.00 C ATOM 419 CZ TYR A 26 1.991 -8.967 -9.164 1.00 0.00 C ATOM 420 OH TYR A 26 1.025 -7.990 -9.088 1.00 0.00 O ATOM 0 H TYR A 26 6.853 -13.622 -9.098 1.00 0.00 H new ATOM 0 HA TYR A 26 6.775 -10.796 -9.375 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.157 -12.288 -10.439 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.644 -12.910 -8.883 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.749 -9.770 -10.913 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.887 -11.856 -7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.024 -8.026 -10.779 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.162 -10.115 -7.565 1.00 0.00 H new ATOM 0 HH TYR A 26 0.391 -8.211 -8.374 1.00 0.00 H new ATOM 430 N ALA A 27 6.002 -12.084 -6.438 1.00 0.00 N ATOM 431 CA ALA A 27 5.776 -11.769 -5.035 1.00 0.00 C ATOM 432 C ALA A 27 6.944 -10.982 -4.452 1.00 0.00 C ATOM 433 O ALA A 27 6.747 -9.979 -3.768 1.00 0.00 O ATOM 434 CB ALA A 27 5.547 -13.044 -4.237 1.00 0.00 C ATOM 0 H ALA A 27 6.025 -13.082 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 27 4.884 -11.146 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.379 -12.793 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.674 -13.567 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.423 -13.687 -4.320 1.00 0.00 H new ATOM 440 N THR A 28 8.159 -11.429 -4.735 1.00 0.00 N ATOM 441 CA THR A 28 9.345 -10.772 -4.212 1.00 0.00 C ATOM 442 C THR A 28 9.543 -9.397 -4.856 1.00 0.00 C ATOM 443 O THR A 28 9.947 -8.451 -4.182 1.00 0.00 O ATOM 444 CB THR A 28 10.601 -11.642 -4.417 1.00 0.00 C ATOM 445 OG1 THR A 28 10.352 -12.963 -3.917 1.00 0.00 O ATOM 446 CG2 THR A 28 11.802 -11.051 -3.693 1.00 0.00 C ATOM 0 H THR A 28 8.348 -12.241 -5.322 1.00 0.00 H new ATOM 0 HA THR A 28 9.195 -10.633 -3.141 1.00 0.00 H new ATOM 0 HB THR A 28 10.823 -11.677 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.901 -13.494 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.673 -11.686 -3.855 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.004 -10.052 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.590 -10.992 -2.625 1.00 0.00 H new ATOM 454 N GLU A 29 9.234 -9.280 -6.147 1.00 0.00 N ATOM 455 CA GLU A 29 9.340 -7.994 -6.834 1.00 0.00 C ATOM 456 C GLU A 29 8.343 -7.001 -6.248 1.00 0.00 C ATOM 457 O GLU A 29 8.690 -5.857 -5.950 1.00 0.00 O ATOM 458 CB GLU A 29 9.091 -8.145 -8.338 1.00 0.00 C ATOM 459 CG GLU A 29 9.313 -6.854 -9.113 1.00 0.00 C ATOM 460 CD GLU A 29 8.908 -6.955 -10.569 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.496 -7.779 -11.299 1.00 0.00 O ATOM 462 OE2 GLU A 29 8.006 -6.197 -10.995 1.00 0.00 O ATOM 0 H GLU A 29 8.912 -10.051 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 29 10.354 -7.621 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.751 -8.917 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.068 -8.487 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.747 -6.052 -8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.366 -6.579 -9.054 1.00 0.00 H new ATOM 469 N LEU A 30 7.104 -7.455 -6.080 1.00 0.00 N ATOM 470 CA LEU A 30 6.045 -6.623 -5.522 1.00 0.00 C ATOM 471 C LEU A 30 6.409 -6.187 -4.110 1.00 0.00 C ATOM 472 O LEU A 30 6.320 -5.007 -3.772 1.00 0.00 O ATOM 473 CB LEU A 30 4.712 -7.394 -5.535 1.00 0.00 C ATOM 474 CG LEU A 30 3.466 -6.608 -5.093 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.218 -7.199 -5.729 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.319 -6.621 -3.576 1.00 0.00 C ATOM 0 H LEU A 30 6.809 -8.400 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 30 5.931 -5.728 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.542 -7.766 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.814 -8.265 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 30 3.588 -5.576 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.343 -6.633 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.304 -7.149 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.111 -8.239 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.430 -6.058 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.223 -7.650 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.198 -6.165 -3.121 1.00 0.00 H new ATOM 488 N ALA A 31 6.840 -7.145 -3.301 1.00 0.00 N ATOM 489 CA ALA A 31 7.186 -6.877 -1.914 1.00 0.00 C ATOM 490 C ALA A 31 8.400 -5.968 -1.805 1.00 0.00 C ATOM 491 O ALA A 31 8.448 -5.093 -0.942 1.00 0.00 O ATOM 492 CB ALA A 31 7.439 -8.176 -1.172 1.00 0.00 C ATOM 0 H ALA A 31 6.958 -8.118 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 31 6.341 -6.362 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.697 -7.959 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.541 -8.792 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.262 -8.711 -1.646 1.00 0.00 H new ATOM 498 N LYS A 32 9.380 -6.169 -2.681 1.00 0.00 N ATOM 499 CA LYS A 32 10.600 -5.380 -2.627 1.00 0.00 C ATOM 500 C LYS A 32 10.308 -3.930 -2.973 1.00 0.00 C ATOM 501 O LYS A 32 10.783 -3.017 -2.307 1.00 0.00 O ATOM 502 CB LYS A 32 11.677 -5.936 -3.562 1.00 0.00 C ATOM 503 CG LYS A 32 13.054 -5.388 -3.236 1.00 0.00 C ATOM 504 CD LYS A 32 13.374 -5.649 -1.777 1.00 0.00 C ATOM 505 CE LYS A 32 14.378 -4.662 -1.219 1.00 0.00 C ATOM 506 NZ LYS A 32 14.324 -4.637 0.265 1.00 0.00 N ATOM 0 H LYS A 32 9.352 -6.864 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 32 10.982 -5.437 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.693 -7.023 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.424 -5.689 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.803 -5.858 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.088 -4.318 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.456 -5.598 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.765 -6.661 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.382 -4.933 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.173 -3.666 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.271 -4.432 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.660 -3.899 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.003 -5.562 0.616 1.00 0.00 H new ATOM 520 N MET A 33 9.513 -3.732 -4.011 1.00 0.00 N ATOM 521 CA MET A 33 9.099 -2.396 -4.411 1.00 0.00 C ATOM 522 C MET A 33 8.289 -1.747 -3.292 1.00 0.00 C ATOM 523 O MET A 33 8.443 -0.560 -2.995 1.00 0.00 O ATOM 524 CB MET A 33 8.257 -2.477 -5.684 1.00 0.00 C ATOM 525 CG MET A 33 7.797 -1.128 -6.206 1.00 0.00 C ATOM 526 SD MET A 33 6.577 -1.285 -7.524 1.00 0.00 S ATOM 527 CE MET A 33 5.240 -2.095 -6.647 1.00 0.00 C ATOM 0 H MET A 33 9.140 -4.481 -4.594 1.00 0.00 H new ATOM 0 HA MET A 33 9.984 -1.790 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.837 -2.977 -6.460 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.382 -3.098 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.371 -0.550 -5.386 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.658 -0.571 -6.575 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.291 -1.846 -7.121 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.388 -3.175 -6.675 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.228 -1.758 -5.611 1.00 0.00 H new ATOM 537 N PHE A 34 7.441 -2.552 -2.665 1.00 0.00 N ATOM 538 CA PHE A 34 6.584 -2.093 -1.587 1.00 0.00 C ATOM 539 C PHE A 34 7.421 -1.606 -0.403 1.00 0.00 C ATOM 540 O PHE A 34 7.207 -0.508 0.097 1.00 0.00 O ATOM 541 CB PHE A 34 5.655 -3.227 -1.146 1.00 0.00 C ATOM 542 CG PHE A 34 4.411 -2.764 -0.443 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.457 -2.308 0.865 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.188 -2.795 -1.096 1.00 0.00 C ATOM 545 CE1 PHE A 34 3.308 -1.892 1.506 1.00 0.00 C ATOM 546 CE2 PHE A 34 2.036 -2.380 -0.460 1.00 0.00 C ATOM 547 CZ PHE A 34 2.096 -1.928 0.843 1.00 0.00 C ATOM 0 H PHE A 34 7.330 -3.540 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 34 5.984 -1.258 -1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.369 -3.809 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.205 -3.896 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.402 -2.278 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.137 -3.148 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.356 -1.538 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.090 -2.409 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.196 -1.603 1.344 1.00 0.00 H new ATOM 557 N ASP A 35 8.385 -2.407 0.042 1.00 0.00 N ATOM 558 CA ASP A 35 9.183 -2.020 1.203 1.00 0.00 C ATOM 559 C ASP A 35 10.146 -0.893 0.846 1.00 0.00 C ATOM 560 O ASP A 35 10.277 0.076 1.594 1.00 0.00 O ATOM 561 CB ASP A 35 9.940 -3.219 1.818 1.00 0.00 C ATOM 562 CG ASP A 35 11.240 -3.585 1.112 1.00 0.00 C ATOM 563 OD1 ASP A 35 12.287 -2.962 1.406 1.00 0.00 O ATOM 564 OD2 ASP A 35 11.238 -4.525 0.297 1.00 0.00 O ATOM 0 H ASP A 35 8.630 -3.307 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 35 8.491 -1.657 1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.161 -2.995 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.282 -4.088 1.811 1.00 0.00 H new ATOM 569 N ASP A 36 10.765 -0.993 -0.325 1.00 0.00 N ATOM 570 CA ASP A 36 11.815 -0.062 -0.733 1.00 0.00 C ATOM 571 C ASP A 36 11.293 1.367 -0.885 1.00 0.00 C ATOM 572 O ASP A 36 12.039 2.333 -0.705 1.00 0.00 O ATOM 573 CB ASP A 36 12.453 -0.542 -2.039 1.00 0.00 C ATOM 574 CG ASP A 36 13.583 0.347 -2.511 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.582 0.499 -1.773 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.483 0.894 -3.626 1.00 0.00 O ATOM 0 H ASP A 36 10.557 -1.715 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 36 12.568 -0.043 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.830 -1.555 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.688 -0.589 -2.814 1.00 0.00 H new ATOM 581 N ASP A 37 10.018 1.509 -1.209 1.00 0.00 N ATOM 582 CA ASP A 37 9.435 2.836 -1.373 1.00 0.00 C ATOM 583 C ASP A 37 8.385 3.142 -0.311 1.00 0.00 C ATOM 584 O ASP A 37 8.417 4.202 0.309 1.00 0.00 O ATOM 585 CB ASP A 37 8.819 2.992 -2.763 1.00 0.00 C ATOM 586 CG ASP A 37 9.864 3.149 -3.845 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.652 4.122 -3.784 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.911 2.310 -4.765 1.00 0.00 O ATOM 0 H ASP A 37 9.372 0.735 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 37 10.250 3.550 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.201 2.121 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.160 3.860 -2.770 1.00 0.00 H new ATOM 593 N ILE A 38 7.472 2.210 -0.087 1.00 0.00 N ATOM 594 CA ILE A 38 6.299 2.468 0.739 1.00 0.00 C ATOM 595 C ILE A 38 6.602 2.343 2.235 1.00 0.00 C ATOM 596 O ILE A 38 5.978 3.025 3.055 1.00 0.00 O ATOM 597 CB ILE A 38 5.144 1.510 0.365 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.961 1.489 -1.157 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.850 1.924 1.058 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.806 0.634 -1.631 1.00 0.00 C ATOM 0 H ILE A 38 7.520 1.264 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 38 5.999 3.497 0.542 1.00 0.00 H new ATOM 0 HB ILE A 38 5.397 0.506 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.811 2.510 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.880 1.126 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.052 1.236 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.991 1.898 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.580 2.935 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.746 0.674 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.962 -0.397 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.876 1.008 -1.203 1.00 0.00 H new ATOM 612 N LEU A 39 7.571 1.503 2.600 1.00 0.00 N ATOM 613 CA LEU A 39 7.844 1.246 4.015 1.00 0.00 C ATOM 614 C LEU A 39 8.331 2.514 4.735 1.00 0.00 C ATOM 615 O LEU A 39 7.799 2.857 5.793 1.00 0.00 O ATOM 616 CB LEU A 39 8.851 0.099 4.184 1.00 0.00 C ATOM 617 CG LEU A 39 8.627 -0.804 5.405 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.938 -0.068 6.699 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.197 -1.323 5.416 1.00 0.00 C ATOM 0 H LEU A 39 8.171 0.997 1.949 1.00 0.00 H new ATOM 0 HA LEU A 39 6.905 0.943 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.824 -0.520 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.852 0.525 4.248 1.00 0.00 H new ATOM 0 HG LEU A 39 9.310 -1.651 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.770 -0.734 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.979 0.255 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.288 0.803 6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.049 -1.962 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.505 -0.482 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.011 -1.897 4.508 1.00 0.00 H new ATOM 631 N PRO A 40 9.328 3.246 4.189 1.00 0.00 N ATOM 632 CA PRO A 40 9.807 4.491 4.806 1.00 0.00 C ATOM 633 C PRO A 40 8.734 5.581 4.845 1.00 0.00 C ATOM 634 O PRO A 40 8.898 6.601 5.518 1.00 0.00 O ATOM 635 CB PRO A 40 10.971 4.927 3.907 1.00 0.00 C ATOM 636 CG PRO A 40 11.355 3.706 3.146 1.00 0.00 C ATOM 637 CD PRO A 40 10.090 2.926 2.966 1.00 0.00 C ATOM 0 HA PRO A 40 10.092 4.332 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.670 5.731 3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.807 5.301 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.794 3.967 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.100 3.124 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.554 3.227 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.284 1.857 2.879 1.00 0.00 H new ATOM 645 N ILE A 41 7.634 5.359 4.134 1.00 0.00 N ATOM 646 CA ILE A 41 6.570 6.348 4.058 1.00 0.00 C ATOM 647 C ILE A 41 5.505 6.103 5.126 1.00 0.00 C ATOM 648 O ILE A 41 5.224 6.984 5.938 1.00 0.00 O ATOM 649 CB ILE A 41 5.894 6.367 2.668 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.931 6.558 1.554 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.839 7.465 2.606 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.698 7.862 1.634 1.00 0.00 C ATOM 0 H ILE A 41 7.458 4.505 3.604 1.00 0.00 H new ATOM 0 HA ILE A 41 7.041 7.316 4.231 1.00 0.00 H new ATOM 0 HB ILE A 41 5.407 5.404 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.640 5.730 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.425 6.506 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.372 7.466 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.080 7.284 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.309 8.432 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.410 7.917 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.002 8.698 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.235 7.911 2.581 1.00 0.00 H new ATOM 664 N ILE A 42 4.910 4.912 5.127 1.00 0.00 N ATOM 665 CA ILE A 42 3.810 4.622 6.045 1.00 0.00 C ATOM 666 C ILE A 42 4.007 3.311 6.801 1.00 0.00 C ATOM 667 O ILE A 42 3.124 2.888 7.546 1.00 0.00 O ATOM 668 CB ILE A 42 2.463 4.524 5.307 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.515 3.402 4.272 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.108 5.848 4.649 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.158 2.845 3.928 1.00 0.00 C ATOM 0 H ILE A 42 5.167 4.141 4.511 1.00 0.00 H new ATOM 0 HA ILE A 42 3.803 5.454 6.749 1.00 0.00 H new ATOM 0 HB ILE A 42 1.684 4.294 6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.987 3.777 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.145 2.597 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.152 5.754 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.035 6.625 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.882 6.116 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.267 2.052 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.692 2.441 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.532 3.638 3.520 1.00 0.00 H new ATOM 683 N GLY A 43 5.157 2.679 6.619 1.00 0.00 N ATOM 684 CA GLY A 43 5.386 1.365 7.201 1.00 0.00 C ATOM 685 C GLY A 43 5.225 1.343 8.711 1.00 0.00 C ATOM 686 O GLY A 43 4.717 0.373 9.273 1.00 0.00 O ATOM 0 H GLY A 43 5.939 3.050 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.691 0.652 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.391 1.031 6.944 1.00 0.00 H new ATOM 690 N GLY A 44 5.639 2.419 9.365 1.00 0.00 N ATOM 691 CA GLY A 44 5.568 2.473 10.812 1.00 0.00 C ATOM 692 C GLY A 44 4.329 3.183 11.317 1.00 0.00 C ATOM 693 O GLY A 44 4.240 3.516 12.499 1.00 0.00 O ATOM 0 H GLY A 44 6.022 3.254 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.586 1.458 11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.453 2.981 11.195 1.00 0.00 H new ATOM 697 N LEU A 45 3.368 3.416 10.434 1.00 0.00 N ATOM 698 CA LEU A 45 2.152 4.113 10.820 1.00 0.00 C ATOM 699 C LEU A 45 1.039 3.125 11.136 1.00 0.00 C ATOM 700 O LEU A 45 1.065 1.977 10.683 1.00 0.00 O ATOM 701 CB LEU A 45 1.706 5.068 9.710 1.00 0.00 C ATOM 702 CG LEU A 45 2.649 6.247 9.455 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.192 7.044 8.246 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.724 7.143 10.681 1.00 0.00 C ATOM 0 H LEU A 45 3.407 3.135 9.454 1.00 0.00 H new ATOM 0 HA LEU A 45 2.366 4.692 11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.598 4.501 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.720 5.458 9.961 1.00 0.00 H new ATOM 0 HG LEU A 45 3.644 5.852 9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.874 7.878 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.186 6.400 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.187 7.427 8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.399 7.976 10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.731 7.528 10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.097 6.569 11.529 1.00 0.00 H new ATOM 716 N GLU A 46 0.080 3.575 11.932 1.00 0.00 N ATOM 717 CA GLU A 46 -1.103 2.787 12.236 1.00 0.00 C ATOM 718 C GLU A 46 -2.014 2.753 11.022 1.00 0.00 C ATOM 719 O GLU A 46 -2.341 3.796 10.462 1.00 0.00 O ATOM 720 CB GLU A 46 -1.851 3.384 13.431 1.00 0.00 C ATOM 721 CG GLU A 46 -1.162 3.156 14.764 1.00 0.00 C ATOM 722 CD GLU A 46 -1.314 1.736 15.261 1.00 0.00 C ATOM 723 OE1 GLU A 46 -0.573 0.854 14.793 1.00 0.00 O ATOM 724 OE2 GLU A 46 -2.188 1.496 16.124 1.00 0.00 O ATOM 0 H GLU A 46 0.100 4.490 12.382 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.797 1.772 12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.971 4.456 13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.852 2.954 13.472 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.102 3.391 14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.574 3.842 15.504 1.00 0.00 H new ATOM 731 N ILE A 47 -2.428 1.562 10.624 1.00 0.00 N ATOM 732 CA ILE A 47 -3.270 1.395 9.447 1.00 0.00 C ATOM 733 C ILE A 47 -4.638 2.049 9.663 1.00 0.00 C ATOM 734 O ILE A 47 -5.370 2.326 8.716 1.00 0.00 O ATOM 735 CB ILE A 47 -3.442 -0.102 9.098 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.880 -0.263 7.645 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.448 -0.759 10.036 1.00 0.00 C ATOM 738 CD1 ILE A 47 -3.821 -1.688 7.144 1.00 0.00 C ATOM 0 H ILE A 47 -2.194 0.691 11.100 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.776 1.888 8.610 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.480 -0.598 9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.900 0.107 7.540 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.247 0.361 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.555 -1.812 9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.096 -0.674 11.064 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.413 -0.261 9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.147 -1.722 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.798 -2.057 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.476 -2.314 7.750 1.00 0.00 H new ATOM 750 N GLN A 48 -4.966 2.299 10.926 1.00 0.00 N ATOM 751 CA GLN A 48 -6.212 2.958 11.282 1.00 0.00 C ATOM 752 C GLN A 48 -6.087 4.468 11.130 1.00 0.00 C ATOM 753 O GLN A 48 -7.089 5.181 11.096 1.00 0.00 O ATOM 754 CB GLN A 48 -6.597 2.630 12.725 1.00 0.00 C ATOM 755 CG GLN A 48 -6.850 1.155 12.988 1.00 0.00 C ATOM 756 CD GLN A 48 -7.092 0.873 14.459 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.558 1.561 15.328 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.898 -0.135 14.751 1.00 0.00 N ATOM 0 H GLN A 48 -4.380 2.052 11.724 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.986 2.593 10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.802 2.973 13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.494 3.192 12.985 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.713 0.826 12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.995 0.573 12.643 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.322 -0.682 14.002 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.095 -0.365 15.725 1.00 0.00 H new ATOM 767 N ASP A 49 -4.856 4.956 11.046 1.00 0.00 N ATOM 768 CA ASP A 49 -4.620 6.387 10.970 1.00 0.00 C ATOM 769 C ASP A 49 -3.437 6.704 10.064 1.00 0.00 C ATOM 770 O ASP A 49 -2.308 6.873 10.524 1.00 0.00 O ATOM 771 CB ASP A 49 -4.382 6.971 12.364 1.00 0.00 C ATOM 772 CG ASP A 49 -4.355 8.485 12.356 1.00 0.00 C ATOM 773 OD1 ASP A 49 -5.433 9.100 12.204 1.00 0.00 O ATOM 774 OD2 ASP A 49 -3.263 9.071 12.512 1.00 0.00 O ATOM 0 H ASP A 49 -4.012 4.384 11.029 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.512 6.845 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.167 6.627 13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.437 6.595 12.757 1.00 0.00 H new ATOM 779 N ILE A 50 -3.702 6.731 8.770 1.00 0.00 N ATOM 780 CA ILE A 50 -2.704 7.143 7.793 1.00 0.00 C ATOM 781 C ILE A 50 -3.206 8.372 7.048 1.00 0.00 C ATOM 782 O ILE A 50 -4.342 8.391 6.566 1.00 0.00 O ATOM 783 CB ILE A 50 -2.380 6.006 6.794 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.761 4.819 7.538 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.443 6.507 5.701 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.440 3.636 6.653 1.00 0.00 C ATOM 0 H ILE A 50 -4.603 6.472 8.368 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.783 7.383 8.323 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.305 5.677 6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.847 5.149 8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.447 4.497 8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.226 5.695 5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.918 7.327 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.514 6.858 6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.005 2.838 7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.354 3.277 6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.729 3.939 5.884 1.00 0.00 H new ATOM 798 N GLU A 51 -2.365 9.394 6.965 1.00 0.00 N ATOM 799 CA GLU A 51 -2.766 10.651 6.351 1.00 0.00 C ATOM 800 C GLU A 51 -3.008 10.462 4.858 1.00 0.00 C ATOM 801 O GLU A 51 -2.312 9.686 4.200 1.00 0.00 O ATOM 802 CB GLU A 51 -1.695 11.727 6.556 1.00 0.00 C ATOM 803 CG GLU A 51 -1.121 11.774 7.961 1.00 0.00 C ATOM 804 CD GLU A 51 -0.469 13.106 8.266 1.00 0.00 C ATOM 805 OE1 GLU A 51 0.679 13.329 7.837 1.00 0.00 O ATOM 806 OE2 GLU A 51 -1.119 13.946 8.920 1.00 0.00 O ATOM 0 H GLU A 51 -1.406 9.377 7.313 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.690 10.974 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.883 11.555 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.124 12.700 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.916 11.586 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.388 10.976 8.079 1.00 0.00 H new ATOM 813 N PRO A 52 -4.004 11.169 4.307 1.00 0.00 N ATOM 814 CA PRO A 52 -4.309 11.105 2.874 1.00 0.00 C ATOM 815 C PRO A 52 -3.112 11.524 2.028 1.00 0.00 C ATOM 816 O PRO A 52 -2.798 10.895 1.022 1.00 0.00 O ATOM 817 CB PRO A 52 -5.458 12.102 2.702 1.00 0.00 C ATOM 818 CG PRO A 52 -6.046 12.255 4.063 1.00 0.00 C ATOM 819 CD PRO A 52 -4.914 12.070 5.027 1.00 0.00 C ATOM 0 HA PRO A 52 -4.562 10.095 2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.098 13.057 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.198 11.732 1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.503 13.237 4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.829 11.516 4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.433 13.018 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.253 11.634 5.967 1.00 0.00 H new ATOM 827 N MET A 53 -2.421 12.572 2.469 1.00 0.00 N ATOM 828 CA MET A 53 -1.253 13.080 1.757 1.00 0.00 C ATOM 829 C MET A 53 -0.020 12.240 2.077 1.00 0.00 C ATOM 830 O MET A 53 1.032 12.398 1.459 1.00 0.00 O ATOM 831 CB MET A 53 -1.006 14.550 2.104 1.00 0.00 C ATOM 832 CG MET A 53 -2.130 15.472 1.661 1.00 0.00 C ATOM 833 SD MET A 53 -1.809 17.203 2.047 1.00 0.00 S ATOM 834 CE MET A 53 -3.305 17.967 1.426 1.00 0.00 C ATOM 0 H MET A 53 -2.651 13.087 3.319 1.00 0.00 H new ATOM 0 HA MET A 53 -1.449 13.008 0.687 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.873 14.644 3.182 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.075 14.874 1.638 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.278 15.366 0.586 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.058 15.163 2.143 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.260 19.043 1.592 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.399 17.768 0.359 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.168 17.556 1.949 1.00 0.00 H new ATOM 844 N GLN A 54 -0.167 11.341 3.041 1.00 0.00 N ATOM 845 CA GLN A 54 0.897 10.421 3.410 1.00 0.00 C ATOM 846 C GLN A 54 0.860 9.222 2.469 1.00 0.00 C ATOM 847 O GLN A 54 1.879 8.804 1.916 1.00 0.00 O ATOM 848 CB GLN A 54 0.700 9.971 4.860 1.00 0.00 C ATOM 849 CG GLN A 54 1.915 9.325 5.496 1.00 0.00 C ATOM 850 CD GLN A 54 3.100 10.264 5.584 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.945 11.485 5.612 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.289 9.700 5.668 1.00 0.00 N ATOM 0 H GLN A 54 -1.022 11.230 3.586 1.00 0.00 H new ATOM 0 HA GLN A 54 1.867 10.912 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.411 10.835 5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.130 9.266 4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.655 8.980 6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.197 8.445 4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.375 8.684 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.123 10.280 5.760 1.00 0.00 H new ATOM 861 N LEU A 55 -0.338 8.691 2.270 1.00 0.00 N ATOM 862 CA LEU A 55 -0.541 7.631 1.298 1.00 0.00 C ATOM 863 C LEU A 55 -0.309 8.189 -0.103 1.00 0.00 C ATOM 864 O LEU A 55 0.142 7.484 -1.002 1.00 0.00 O ATOM 865 CB LEU A 55 -1.952 7.051 1.428 1.00 0.00 C ATOM 866 CG LEU A 55 -2.202 5.761 0.643 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.263 4.660 1.112 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.649 5.322 0.789 1.00 0.00 C ATOM 0 H LEU A 55 -1.181 8.977 2.768 1.00 0.00 H new ATOM 0 HA LEU A 55 0.168 6.824 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.153 6.861 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.668 7.803 1.097 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.005 5.956 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.455 3.751 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.230 4.973 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.430 4.467 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.809 4.403 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.871 5.145 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.306 6.103 0.406 1.00 0.00 H new ATOM 880 N LEU A 56 -0.610 9.476 -0.269 1.00 0.00 N ATOM 881 CA LEU A 56 -0.327 10.177 -1.514 1.00 0.00 C ATOM 882 C LEU A 56 1.180 10.292 -1.704 1.00 0.00 C ATOM 883 O LEU A 56 1.666 10.250 -2.825 1.00 0.00 O ATOM 884 CB LEU A 56 -1.014 11.559 -1.513 1.00 0.00 C ATOM 885 CG LEU A 56 -0.833 12.451 -2.761 1.00 0.00 C ATOM 886 CD1 LEU A 56 0.407 13.317 -2.638 1.00 0.00 C ATOM 887 CD2 LEU A 56 -0.770 11.633 -4.041 1.00 0.00 C ATOM 0 H LEU A 56 -1.051 10.053 0.447 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.730 9.613 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.082 11.402 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.650 12.114 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.710 13.096 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.510 13.934 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.317 13.958 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.286 12.681 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.642 12.300 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.072 10.943 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.695 11.068 -4.158 1.00 0.00 H new ATOM 899 N GLU A 57 1.921 10.412 -0.608 1.00 0.00 N ATOM 900 CA GLU A 57 3.374 10.440 -0.689 1.00 0.00 C ATOM 901 C GLU A 57 3.890 9.124 -1.272 1.00 0.00 C ATOM 902 O GLU A 57 4.866 9.112 -2.015 1.00 0.00 O ATOM 903 CB GLU A 57 4.005 10.719 0.677 1.00 0.00 C ATOM 904 CG GLU A 57 5.526 10.737 0.646 1.00 0.00 C ATOM 905 CD GLU A 57 6.140 11.276 1.919 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.822 10.763 3.010 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.942 12.229 1.835 1.00 0.00 O ATOM 0 H GLU A 57 1.544 10.491 0.336 1.00 0.00 H new ATOM 0 HA GLU A 57 3.664 11.255 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.645 11.679 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.672 9.960 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.892 9.725 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.859 11.344 -0.196 1.00 0.00 H new ATOM 914 N VAL A 58 3.215 8.025 -0.942 1.00 0.00 N ATOM 915 CA VAL A 58 3.515 6.728 -1.558 1.00 0.00 C ATOM 916 C VAL A 58 3.287 6.776 -3.075 1.00 0.00 C ATOM 917 O VAL A 58 4.194 6.495 -3.866 1.00 0.00 O ATOM 918 CB VAL A 58 2.650 5.598 -0.958 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.889 4.288 -1.696 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.937 5.432 0.525 1.00 0.00 C ATOM 0 H VAL A 58 2.460 8.003 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 58 4.564 6.517 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 58 1.602 5.873 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.270 3.505 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.629 4.410 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.939 4.010 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.317 4.631 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.989 5.183 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.711 6.363 1.046 1.00 0.00 H new ATOM 930 N ILE A 59 2.074 7.140 -3.470 1.00 0.00 N ATOM 931 CA ILE A 59 1.726 7.254 -4.885 1.00 0.00 C ATOM 932 C ILE A 59 2.679 8.224 -5.591 1.00 0.00 C ATOM 933 O ILE A 59 3.207 7.930 -6.665 1.00 0.00 O ATOM 934 CB ILE A 59 0.254 7.723 -5.067 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.728 6.551 -4.930 1.00 0.00 C ATOM 936 CG2 ILE A 59 0.050 8.405 -6.410 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.752 5.903 -3.561 1.00 0.00 C ATOM 0 H ILE A 59 1.311 7.362 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 59 1.825 6.266 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 59 0.052 8.444 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.731 6.905 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.474 5.793 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.989 8.720 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.701 9.277 -6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.292 7.708 -7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.474 5.086 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.238 5.513 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.038 6.643 -2.813 1.00 0.00 H new ATOM 949 N ARG A 60 2.920 9.358 -4.948 1.00 0.00 N ATOM 950 CA ARG A 60 3.791 10.396 -5.479 1.00 0.00 C ATOM 951 C ARG A 60 5.227 9.892 -5.587 1.00 0.00 C ATOM 952 O ARG A 60 5.956 10.264 -6.501 1.00 0.00 O ATOM 953 CB ARG A 60 3.735 11.615 -4.565 1.00 0.00 C ATOM 954 CG ARG A 60 4.276 12.885 -5.184 1.00 0.00 C ATOM 955 CD ARG A 60 4.262 14.017 -4.176 1.00 0.00 C ATOM 956 NE ARG A 60 4.523 15.306 -4.799 1.00 0.00 N ATOM 957 CZ ARG A 60 5.659 15.990 -4.649 1.00 0.00 C ATOM 958 NH1 ARG A 60 6.660 15.484 -3.941 1.00 0.00 N ATOM 959 NH2 ARG A 60 5.795 17.181 -5.215 1.00 0.00 N ATOM 0 H ARG A 60 2.515 9.584 -4.040 1.00 0.00 H new ATOM 0 HA ARG A 60 3.449 10.669 -6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.700 11.783 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.298 11.399 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.293 12.719 -5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.676 13.157 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.294 14.045 -3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.012 13.827 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 60 3.794 15.711 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.565 14.566 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.525 16.013 -3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.031 17.574 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.663 17.704 -5.100 1.00 0.00 H new ATOM 973 N ARG A 61 5.618 9.050 -4.636 1.00 0.00 N ATOM 974 CA ARG A 61 6.925 8.398 -4.645 1.00 0.00 C ATOM 975 C ARG A 61 7.158 7.704 -5.983 1.00 0.00 C ATOM 976 O ARG A 61 8.241 7.790 -6.566 1.00 0.00 O ATOM 977 CB ARG A 61 6.990 7.379 -3.502 1.00 0.00 C ATOM 978 CG ARG A 61 8.260 6.548 -3.448 1.00 0.00 C ATOM 979 CD ARG A 61 9.430 7.321 -2.865 1.00 0.00 C ATOM 980 NE ARG A 61 10.518 6.422 -2.489 1.00 0.00 N ATOM 981 CZ ARG A 61 11.349 6.630 -1.470 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.285 7.757 -0.771 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.257 5.711 -1.162 1.00 0.00 N ATOM 0 H ARG A 61 5.037 8.799 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 61 7.704 9.148 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.882 7.910 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.137 6.705 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.082 5.655 -2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.514 6.211 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.790 8.047 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.100 7.883 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 61 10.650 5.577 -3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.596 8.469 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.924 7.911 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.316 4.850 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.896 5.866 -0.382 1.00 0.00 H new ATOM 997 N PHE A 62 6.127 7.022 -6.472 1.00 0.00 N ATOM 998 CA PHE A 62 6.204 6.351 -7.766 1.00 0.00 C ATOM 999 C PHE A 62 6.013 7.338 -8.921 1.00 0.00 C ATOM 1000 O PHE A 62 6.708 7.251 -9.936 1.00 0.00 O ATOM 1001 CB PHE A 62 5.169 5.229 -7.852 1.00 0.00 C ATOM 1002 CG PHE A 62 5.418 4.116 -6.877 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.406 3.176 -7.121 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.672 4.014 -5.715 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.642 2.153 -6.223 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.905 2.994 -4.815 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.892 2.062 -5.068 1.00 0.00 C ATOM 0 H PHE A 62 5.232 6.919 -5.994 1.00 0.00 H new ATOM 0 HA PHE A 62 7.201 5.919 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.177 5.644 -7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.167 4.823 -8.864 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.998 3.244 -8.022 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.899 4.741 -5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.413 1.425 -6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.315 2.925 -3.913 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.077 1.264 -4.364 1.00 0.00 H new ATOM 1017 N GLU A 63 5.082 8.279 -8.762 1.00 0.00 N ATOM 1018 CA GLU A 63 4.811 9.279 -9.799 1.00 0.00 C ATOM 1019 C GLU A 63 6.040 10.123 -10.103 1.00 0.00 C ATOM 1020 O GLU A 63 6.266 10.511 -11.250 1.00 0.00 O ATOM 1021 CB GLU A 63 3.675 10.209 -9.391 1.00 0.00 C ATOM 1022 CG GLU A 63 2.304 9.570 -9.430 1.00 0.00 C ATOM 1023 CD GLU A 63 1.199 10.603 -9.341 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.017 11.196 -8.260 1.00 0.00 O ATOM 1025 OE2 GLU A 63 0.536 10.856 -10.374 1.00 0.00 O ATOM 0 H GLU A 63 4.503 8.371 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 63 4.526 8.723 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.864 10.574 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.677 11.077 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.195 9.000 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.209 8.864 -8.605 1.00 0.00 H new ATOM 1032 N ASP A 64 6.818 10.411 -9.069 1.00 0.00 N ATOM 1033 CA ASP A 64 8.024 11.220 -9.204 1.00 0.00 C ATOM 1034 C ASP A 64 9.014 10.570 -10.165 1.00 0.00 C ATOM 1035 O ASP A 64 9.791 11.253 -10.833 1.00 0.00 O ATOM 1036 CB ASP A 64 8.672 11.425 -7.831 1.00 0.00 C ATOM 1037 CG ASP A 64 9.967 12.210 -7.895 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.917 13.450 -8.054 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.044 11.592 -7.777 1.00 0.00 O ATOM 0 H ASP A 64 6.634 10.093 -8.117 1.00 0.00 H new ATOM 0 HA ASP A 64 7.743 12.190 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.971 11.946 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.866 10.452 -7.379 1.00 0.00 H new ATOM 1044 N ARG A 65 8.968 9.246 -10.246 1.00 0.00 N ATOM 1045 CA ARG A 65 9.867 8.512 -11.124 1.00 0.00 C ATOM 1046 C ARG A 65 9.167 8.123 -12.424 1.00 0.00 C ATOM 1047 O ARG A 65 9.780 7.537 -13.319 1.00 0.00 O ATOM 1048 CB ARG A 65 10.418 7.275 -10.416 1.00 0.00 C ATOM 1049 CG ARG A 65 11.107 7.601 -9.100 1.00 0.00 C ATOM 1050 CD ARG A 65 11.909 6.426 -8.568 1.00 0.00 C ATOM 1051 NE ARG A 65 11.096 5.225 -8.390 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.839 4.668 -7.207 1.00 0.00 C ATOM 1053 NH1 ARG A 65 11.244 5.256 -6.090 1.00 0.00 N ATOM 1054 NH2 ARG A 65 10.167 3.526 -7.145 1.00 0.00 N ATOM 0 H ARG A 65 8.321 8.662 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 65 10.702 9.166 -11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.602 6.576 -10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.125 6.771 -11.075 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.768 8.457 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.359 7.893 -8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.727 6.208 -9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.359 6.700 -7.614 1.00 0.00 H new ATOM 0 HE ARG A 65 10.701 4.786 -9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.754 6.138 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.045 4.826 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.848 3.075 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.970 3.099 -6.240 1.00 0.00 H new ATOM 1068 N GLY A 66 7.878 8.440 -12.526 1.00 0.00 N ATOM 1069 CA GLY A 66 7.163 8.228 -13.769 1.00 0.00 C ATOM 1070 C GLY A 66 6.470 6.885 -13.837 1.00 0.00 C ATOM 1071 O GLY A 66 5.842 6.559 -14.848 1.00 0.00 O ATOM 0 H GLY A 66 7.319 8.839 -11.771 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.423 9.018 -13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.862 8.311 -14.601 1.00 0.00 H new ATOM 1075 N ALA A 67 6.574 6.106 -12.770 1.00 0.00 N ATOM 1076 CA ALA A 67 5.933 4.801 -12.717 1.00 0.00 C ATOM 1077 C ALA A 67 4.444 4.959 -12.439 1.00 0.00 C ATOM 1078 O ALA A 67 4.004 4.910 -11.291 1.00 0.00 O ATOM 1079 CB ALA A 67 6.589 3.921 -11.664 1.00 0.00 C ATOM 0 H ALA A 67 7.096 6.355 -11.930 1.00 0.00 H new ATOM 0 HA ALA A 67 6.055 4.314 -13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.094 2.950 -11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.643 3.786 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.501 4.396 -10.687 1.00 0.00 H new ATOM 1085 N MET A 68 3.675 5.161 -13.499 1.00 0.00 N ATOM 1086 CA MET A 68 2.255 5.448 -13.371 1.00 0.00 C ATOM 1087 C MET A 68 1.493 4.214 -12.910 1.00 0.00 C ATOM 1088 O MET A 68 0.654 4.295 -12.013 1.00 0.00 O ATOM 1089 CB MET A 68 1.683 5.951 -14.701 1.00 0.00 C ATOM 1090 CG MET A 68 0.272 6.517 -14.592 1.00 0.00 C ATOM 1091 SD MET A 68 0.230 8.270 -14.139 1.00 0.00 S ATOM 1092 CE MET A 68 1.076 8.276 -12.559 1.00 0.00 C ATOM 0 H MET A 68 4.013 5.131 -14.461 1.00 0.00 H new ATOM 0 HA MET A 68 2.137 6.230 -12.621 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.343 6.721 -15.101 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.680 5.130 -15.418 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.239 6.384 -15.546 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.284 5.945 -13.850 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.833 9.191 -12.020 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.758 7.414 -11.973 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.153 8.226 -12.723 1.00 0.00 H new ATOM 1102 N GLU A 69 1.800 3.072 -13.517 1.00 0.00 N ATOM 1103 CA GLU A 69 1.150 1.822 -13.150 1.00 0.00 C ATOM 1104 C GLU A 69 1.414 1.494 -11.694 1.00 0.00 C ATOM 1105 O GLU A 69 0.502 1.169 -10.946 1.00 0.00 O ATOM 1106 CB GLU A 69 1.659 0.660 -13.997 1.00 0.00 C ATOM 1107 CG GLU A 69 1.401 0.796 -15.481 1.00 0.00 C ATOM 1108 CD GLU A 69 1.850 -0.440 -16.227 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.074 -0.651 -16.344 1.00 0.00 O ATOM 1110 OE2 GLU A 69 0.983 -1.231 -16.654 1.00 0.00 O ATOM 0 H GLU A 69 2.492 2.988 -14.262 1.00 0.00 H new ATOM 0 HA GLU A 69 0.082 1.956 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.732 0.555 -13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.193 -0.260 -13.644 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.338 0.963 -15.655 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.928 1.669 -15.866 1.00 0.00 H new ATOM 1117 N ARG A 70 2.672 1.601 -11.299 1.00 0.00 N ATOM 1118 CA ARG A 70 3.092 1.197 -9.968 1.00 0.00 C ATOM 1119 C ARG A 70 2.655 2.200 -8.905 1.00 0.00 C ATOM 1120 O ARG A 70 2.590 1.866 -7.723 1.00 0.00 O ATOM 1121 CB ARG A 70 4.601 0.955 -9.949 1.00 0.00 C ATOM 1122 CG ARG A 70 4.968 -0.369 -10.602 1.00 0.00 C ATOM 1123 CD ARG A 70 6.465 -0.535 -10.814 1.00 0.00 C ATOM 1124 NE ARG A 70 6.805 -1.929 -11.119 1.00 0.00 N ATOM 1125 CZ ARG A 70 6.463 -2.563 -12.243 1.00 0.00 C ATOM 1126 NH1 ARG A 70 5.867 -1.907 -13.231 1.00 0.00 N ATOM 1127 NH2 ARG A 70 6.738 -3.853 -12.387 1.00 0.00 N ATOM 0 H ARG A 70 3.423 1.966 -11.885 1.00 0.00 H new ATOM 0 HA ARG A 70 2.595 0.259 -9.719 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.106 1.769 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.958 0.964 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.602 -1.187 -9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.460 -0.446 -11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.793 0.109 -11.630 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.000 -0.215 -9.920 1.00 0.00 H new ATOM 0 HE ARG A 70 7.340 -2.450 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.667 -0.911 -13.135 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.609 -2.398 -14.087 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.211 -4.360 -11.639 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.477 -4.337 -13.246 1.00 0.00 H new ATOM 1141 N ALA A 71 2.334 3.416 -9.327 1.00 0.00 N ATOM 1142 CA ALA A 71 1.710 4.380 -8.432 1.00 0.00 C ATOM 1143 C ALA A 71 0.284 3.937 -8.126 1.00 0.00 C ATOM 1144 O ALA A 71 -0.167 3.976 -6.979 1.00 0.00 O ATOM 1145 CB ALA A 71 1.719 5.771 -9.050 1.00 0.00 C ATOM 0 H ALA A 71 2.494 3.756 -10.275 1.00 0.00 H new ATOM 0 HA ALA A 71 2.278 4.424 -7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.248 6.476 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.748 6.079 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.168 5.755 -9.990 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.410 3.489 -9.166 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.768 2.978 -9.026 1.00 0.00 C ATOM 1153 C ASN A 72 -1.754 1.629 -8.311 1.00 0.00 C ATOM 1154 O ASN A 72 -2.617 1.346 -7.478 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.425 2.837 -10.402 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.883 2.426 -10.318 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.588 2.767 -9.369 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -4.349 1.694 -11.318 1.00 0.00 N ATOM 0 H ASN A 72 -0.052 3.470 -10.121 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.347 3.685 -8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.350 3.785 -10.934 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.877 2.098 -10.987 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.324 1.393 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.733 1.431 -12.088 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.759 0.804 -8.639 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.567 -0.479 -7.974 1.00 0.00 C ATOM 1167 C LYS A 73 -0.416 -0.286 -6.475 1.00 0.00 C ATOM 1168 O LYS A 73 -0.971 -1.048 -5.688 1.00 0.00 O ATOM 1169 CB LYS A 73 0.669 -1.201 -8.518 1.00 0.00 C ATOM 1170 CG LYS A 73 0.496 -1.767 -9.917 1.00 0.00 C ATOM 1171 CD LYS A 73 1.794 -2.378 -10.419 1.00 0.00 C ATOM 1172 CE LYS A 73 1.629 -3.015 -11.788 1.00 0.00 C ATOM 1173 NZ LYS A 73 0.719 -4.192 -11.757 1.00 0.00 N ATOM 0 H LYS A 73 -0.072 1.006 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.448 -1.088 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.509 -0.507 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.929 -2.013 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.289 -2.523 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.175 -0.977 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.563 -1.607 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.140 -3.129 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.238 -2.275 -12.486 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.605 -3.323 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.781 -4.703 -12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.998 -4.826 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.259 -3.871 -11.607 1.00 0.00 H new ATOM 1187 N ALA A 74 0.335 0.741 -6.087 1.00 0.00 N ATOM 1188 CA ALA A 74 0.518 1.054 -4.680 1.00 0.00 C ATOM 1189 C ALA A 74 -0.826 1.342 -4.024 1.00 0.00 C ATOM 1190 O ALA A 74 -1.144 0.767 -2.988 1.00 0.00 O ATOM 1191 CB ALA A 74 1.470 2.227 -4.503 1.00 0.00 C ATOM 0 H ALA A 74 0.824 1.367 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 74 0.963 0.188 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.590 2.441 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.439 1.977 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.064 3.104 -5.006 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.621 2.212 -4.644 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.957 2.520 -4.134 1.00 0.00 C ATOM 1199 C ARG A 75 -3.805 1.249 -4.026 1.00 0.00 C ATOM 1200 O ARG A 75 -4.427 0.990 -2.995 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.668 3.532 -5.040 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.011 3.991 -4.493 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.756 4.888 -5.473 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.976 5.440 -4.877 1.00 0.00 N ATOM 1205 CZ ARG A 75 -8.149 5.537 -5.512 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -8.263 5.174 -6.781 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.205 6.020 -4.875 1.00 0.00 N ATOM 0 H ARG A 75 -1.366 2.714 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.838 2.954 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.024 4.400 -5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.817 3.086 -6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.624 3.120 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.856 4.528 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.104 5.702 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.012 4.318 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.927 5.772 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.451 4.816 -7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.163 5.252 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.122 6.317 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.101 6.095 -5.357 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.809 0.457 -5.092 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.616 -0.758 -5.152 1.00 0.00 C ATOM 1223 C ARG A 76 -4.164 -1.803 -4.134 1.00 0.00 C ATOM 1224 O ARG A 76 -4.988 -2.390 -3.434 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.581 -1.352 -6.563 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.458 -0.606 -7.556 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.397 -1.226 -8.944 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.510 -0.778 -9.778 1.00 0.00 N ATOM 1229 CZ ARG A 76 -6.538 -0.842 -11.107 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.486 -1.280 -11.789 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -7.626 -0.446 -11.753 1.00 0.00 N ATOM 0 H ARG A 76 -3.259 0.635 -5.932 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.639 -0.477 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.553 -1.349 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.900 -2.393 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.489 -0.608 -7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.141 0.436 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.453 -0.961 -9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.418 -2.313 -8.860 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.326 -0.387 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.643 -1.572 -11.294 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.521 -1.324 -12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.430 -0.097 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.659 -0.490 -12.771 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.861 -2.034 -4.046 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.332 -3.056 -3.151 1.00 0.00 C ATOM 1247 C ARG A 77 -2.412 -2.623 -1.695 1.00 0.00 C ATOM 1248 O ARG A 77 -2.732 -3.435 -0.829 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.899 -3.433 -3.530 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.812 -4.189 -4.844 1.00 0.00 C ATOM 1251 CD ARG A 77 -1.670 -5.445 -4.811 1.00 0.00 C ATOM 1252 NE ARG A 77 -1.729 -6.104 -6.113 1.00 0.00 N ATOM 1253 CZ ARG A 77 -2.233 -7.319 -6.316 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -2.762 -8.009 -5.307 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -2.230 -7.835 -7.537 1.00 0.00 N ATOM 0 H ARG A 77 -2.153 -1.530 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.957 -3.942 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.297 -2.527 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.468 -4.044 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.137 -3.544 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.225 -4.458 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.269 -6.138 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.679 -5.186 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.360 -5.600 -6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.783 -7.607 -4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.146 -8.940 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.843 -7.301 -8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.615 -8.766 -7.698 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.143 -1.352 -1.420 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.307 -0.835 -0.067 1.00 0.00 C ATOM 1271 C CYS A 78 -3.770 -0.935 0.341 1.00 0.00 C ATOM 1272 O CYS A 78 -4.083 -1.336 1.459 1.00 0.00 O ATOM 1273 CB CYS A 78 -1.823 0.615 0.042 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.054 0.826 -0.264 1.00 0.00 S ATOM 0 H CYS A 78 -1.815 -0.670 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.697 -1.437 0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.379 1.227 -0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.056 0.991 1.038 1.00 0.00 H new ATOM 0 HG CYS A 78 0.161 0.880 -1.545 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.660 -0.608 -0.592 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.086 -0.725 -0.344 1.00 0.00 C ATOM 1282 C GLY A 79 -6.508 -2.159 -0.092 1.00 0.00 C ATOM 1283 O GLY A 79 -7.503 -2.412 0.584 1.00 0.00 O ATOM 0 H GLY A 79 -4.417 -0.262 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.355 -0.112 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.635 -0.331 -1.199 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.753 -3.102 -0.640 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.015 -4.515 -0.411 1.00 0.00 C ATOM 1289 C GLU A 80 -5.548 -4.901 0.993 1.00 0.00 C ATOM 1290 O GLU A 80 -6.160 -5.740 1.656 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.321 -5.372 -1.476 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.738 -6.836 -1.454 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.178 -7.621 -2.624 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -5.745 -7.526 -3.734 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.175 -8.342 -2.440 1.00 0.00 O ATOM 0 H GLU A 80 -4.955 -2.913 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.087 -4.697 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.537 -4.957 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.242 -5.309 -1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.402 -7.291 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.826 -6.900 -1.466 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.472 -4.261 1.444 1.00 0.00 N ATOM 1303 CA VAL A 81 -3.995 -4.431 2.812 1.00 0.00 C ATOM 1304 C VAL A 81 -5.009 -3.849 3.793 1.00 0.00 C ATOM 1305 O VAL A 81 -5.313 -4.458 4.819 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.621 -3.755 3.030 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.124 -3.977 4.451 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.603 -4.274 2.028 1.00 0.00 C ATOM 0 H VAL A 81 -3.914 -3.619 0.881 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.877 -5.500 2.988 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.746 -2.683 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.156 -3.492 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.838 -3.553 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.021 -5.046 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.643 -3.786 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.489 -5.351 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.946 -4.058 1.016 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.540 -2.671 3.461 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.602 -2.060 4.255 1.00 0.00 C ATOM 1320 C PHE A 82 -7.815 -2.984 4.315 1.00 0.00 C ATOM 1321 O PHE A 82 -8.414 -3.163 5.375 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.016 -0.699 3.682 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.025 0.408 3.923 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.877 0.960 5.183 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.250 0.902 2.888 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.973 1.983 5.406 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.345 1.923 3.103 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.206 2.464 4.365 1.00 0.00 C ATOM 0 H PHE A 82 -5.252 -2.124 2.650 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.215 -1.903 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.171 -0.803 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.974 -0.413 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.474 0.588 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.354 0.483 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.868 2.405 6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.747 2.297 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.499 3.262 4.537 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.164 -3.576 3.175 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.260 -4.539 3.115 1.00 0.00 C ATOM 1340 C ARG A 83 -8.994 -5.703 4.063 1.00 0.00 C ATOM 1341 O ARG A 83 -9.867 -6.103 4.833 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.443 -5.074 1.691 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.562 -6.100 1.577 1.00 0.00 C ATOM 1344 CD ARG A 83 -10.513 -6.856 0.260 1.00 0.00 C ATOM 1345 NE ARG A 83 -11.544 -7.892 0.193 1.00 0.00 N ATOM 1346 CZ ARG A 83 -11.292 -9.200 0.101 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -10.040 -9.640 0.066 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -12.291 -10.070 0.049 1.00 0.00 N ATOM 0 H ARG A 83 -7.704 -3.406 2.281 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.173 -4.026 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.653 -4.241 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.509 -5.525 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.490 -6.807 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.525 -5.598 1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.645 -6.157 -0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.530 -7.312 0.138 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.520 -7.595 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.265 -8.978 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.853 -10.640 -0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.256 -9.741 0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.095 -11.068 -0.021 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.778 -6.240 4.000 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.376 -7.337 4.870 1.00 0.00 C ATOM 1364 C TYR A 84 -7.475 -6.915 6.332 1.00 0.00 C ATOM 1365 O TYR A 84 -7.879 -7.700 7.190 1.00 0.00 O ATOM 1366 CB TYR A 84 -5.948 -7.790 4.540 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.483 -8.975 5.357 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.862 -10.266 5.016 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -4.668 -8.801 6.468 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.446 -11.352 5.763 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.246 -9.881 7.218 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.637 -11.153 6.863 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.225 -12.232 7.611 1.00 0.00 O ATOM 0 H TYR A 84 -7.053 -5.930 3.352 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.050 -8.177 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.892 -8.045 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.265 -6.957 4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.492 -10.424 4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.359 -7.805 6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.752 -12.350 5.487 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.612 -9.729 8.079 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.660 -11.922 8.349 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.120 -5.667 6.606 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.219 -5.116 7.948 1.00 0.00 C ATOM 1385 C ALA A 85 -8.672 -5.054 8.407 1.00 0.00 C ATOM 1386 O ALA A 85 -8.966 -5.246 9.585 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.583 -3.739 8.003 1.00 0.00 C ATOM 0 H ALA A 85 -6.759 -5.014 5.910 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.679 -5.776 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.665 -3.340 9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.531 -3.813 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.095 -3.074 7.308 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.578 -4.784 7.480 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.003 -4.795 7.786 1.00 0.00 C ATOM 1395 C ILE A 86 -11.462 -6.224 8.065 1.00 0.00 C ATOM 1396 O ILE A 86 -12.152 -6.487 9.050 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.844 -4.206 6.629 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.372 -2.791 6.286 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.321 -4.194 6.999 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.049 -2.203 5.065 1.00 0.00 C ATOM 0 H ILE A 86 -9.354 -4.555 6.512 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.155 -4.172 8.668 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.709 -4.838 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.554 -2.140 7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.295 -2.807 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.899 -3.777 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.655 -5.213 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.468 -3.584 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.664 -1.199 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.846 -2.832 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.125 -2.154 5.234 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.044 -7.147 7.203 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.407 -8.557 7.332 1.00 0.00 C ATOM 1414 C VAL A 87 -10.868 -9.153 8.633 1.00 0.00 C ATOM 1415 O VAL A 87 -11.528 -9.977 9.267 1.00 0.00 O ATOM 1416 CB VAL A 87 -10.886 -9.384 6.133 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.246 -10.856 6.282 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.440 -8.836 4.827 1.00 0.00 C ATOM 0 H VAL A 87 -10.448 -6.942 6.401 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.496 -8.604 7.347 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.799 -9.301 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.867 -11.412 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.800 -11.249 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.330 -10.962 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.063 -9.430 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.529 -8.885 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.126 -7.799 4.705 1.00 0.00 H new ATOM 1428 N THR A 88 -9.678 -8.726 9.040 1.00 0.00 N ATOM 1429 CA THR A 88 -9.080 -9.232 10.268 1.00 0.00 C ATOM 1430 C THR A 88 -9.638 -8.486 11.488 1.00 0.00 C ATOM 1431 O THR A 88 -9.328 -8.818 12.632 1.00 0.00 O ATOM 1432 CB THR A 88 -7.532 -9.142 10.230 1.00 0.00 C ATOM 1433 OG1 THR A 88 -6.959 -9.959 11.258 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.049 -7.711 10.406 1.00 0.00 C ATOM 0 H THR A 88 -9.113 -8.037 8.543 1.00 0.00 H new ATOM 0 HA THR A 88 -9.345 -10.286 10.354 1.00 0.00 H new ATOM 0 HB THR A 88 -7.212 -9.499 9.251 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.553 -9.969 12.037 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.960 -7.688 10.374 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.449 -7.091 9.604 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.392 -7.327 11.367 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.479 -7.488 11.234 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.152 -6.784 12.311 1.00 0.00 C ATOM 1444 C GLY A 89 -10.277 -5.745 12.985 1.00 0.00 C ATOM 1445 O GLY A 89 -10.267 -5.634 14.210 1.00 0.00 O ATOM 0 H GLY A 89 -10.707 -7.153 10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.044 -6.297 11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.486 -7.507 13.056 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.534 -4.991 12.187 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.699 -3.917 12.712 1.00 0.00 C ATOM 1451 C ARG A 90 -9.094 -2.573 12.112 1.00 0.00 C ATOM 1452 O ARG A 90 -9.150 -1.566 12.810 1.00 0.00 O ATOM 1453 CB ARG A 90 -7.219 -4.199 12.440 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.649 -5.341 13.270 1.00 0.00 C ATOM 1455 CD ARG A 90 -5.170 -5.554 12.986 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.600 -6.626 13.802 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.653 -7.467 13.377 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.194 -7.385 12.133 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.169 -8.391 14.198 1.00 0.00 N ATOM 0 H ARG A 90 -9.492 -5.102 11.174 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.855 -3.872 13.790 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.091 -4.432 11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.644 -3.295 12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.790 -5.127 14.330 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.198 -6.258 13.054 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.035 -5.792 11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.628 -4.628 13.176 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.947 -6.738 14.755 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.565 -6.678 11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.471 -8.029 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.520 -8.459 15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.446 -9.033 13.874 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.381 -2.563 10.819 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.753 -1.331 10.134 1.00 0.00 C ATOM 1475 C ALA A 91 -11.245 -1.309 9.833 1.00 0.00 C ATOM 1476 O ALA A 91 -11.919 -2.337 9.927 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.948 -1.166 8.854 1.00 0.00 C ATOM 0 H ALA A 91 -9.364 -3.391 10.223 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.526 -0.494 10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.240 -0.241 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.886 -1.129 9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.141 -2.010 8.192 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.756 -0.137 9.478 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.173 0.021 9.172 1.00 0.00 C ATOM 1485 C LYS A 92 -13.395 0.238 7.681 1.00 0.00 C ATOM 1486 O LYS A 92 -14.277 -0.374 7.076 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.769 1.193 9.952 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.813 0.972 11.451 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.578 2.083 12.147 1.00 0.00 C ATOM 1490 CE LYS A 92 -14.782 1.787 13.623 1.00 0.00 C ATOM 1491 NZ LYS A 92 -15.428 0.466 13.836 1.00 0.00 N ATOM 0 H LYS A 92 -11.209 0.720 9.395 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.674 -0.900 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.186 2.090 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.781 1.380 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.284 0.013 11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.798 0.924 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -14.036 3.022 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.547 2.215 11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.820 1.808 14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.397 2.569 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.839 0.431 14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -16.179 0.329 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.718 -0.288 13.737 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.599 1.120 7.094 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.723 1.445 5.682 1.00 0.00 C ATOM 1507 C TYR A 93 -11.353 1.732 5.091 1.00 0.00 C ATOM 1508 O TYR A 93 -10.382 1.916 5.826 1.00 0.00 O ATOM 1509 CB TYR A 93 -13.646 2.658 5.483 1.00 0.00 C ATOM 1510 CG TYR A 93 -13.134 3.942 6.108 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.401 4.249 7.437 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -12.388 4.849 5.364 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -12.936 5.421 8.006 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.920 6.021 5.925 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.196 6.303 7.245 1.00 0.00 C ATOM 1516 OH TYR A 93 -11.730 7.471 7.807 1.00 0.00 O ATOM 0 H TYR A 93 -11.857 1.625 7.578 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.161 0.589 5.169 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.789 2.820 4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.625 2.428 5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.981 3.562 8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.170 4.633 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.151 5.645 9.040 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.341 6.713 5.332 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.227 7.979 7.137 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.279 1.772 3.771 1.00 0.00 N ATOM 1527 CA ASN A 94 -10.034 2.087 3.094 1.00 0.00 C ATOM 1528 C ASN A 94 -10.012 3.571 2.764 1.00 0.00 C ATOM 1529 O ASN A 94 -10.978 4.098 2.219 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.882 1.280 1.798 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.462 -0.118 1.889 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -9.835 -1.035 2.409 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -11.654 -0.298 1.341 1.00 0.00 N ATOM 0 H ASN A 94 -12.066 1.590 3.148 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.207 1.828 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.371 1.816 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.824 1.211 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.081 -1.224 1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.145 0.490 0.918 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.917 4.275 3.083 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.778 5.698 2.766 1.00 0.00 C ATOM 1542 C PRO A 95 -8.457 5.928 1.291 1.00 0.00 C ATOM 1543 O PRO A 95 -8.004 7.000 0.904 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.612 6.141 3.647 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.780 4.917 3.810 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.735 3.750 3.792 1.00 0.00 C ATOM 0 HA PRO A 95 -9.698 6.254 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.045 6.946 3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.962 6.514 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.049 4.834 3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.222 4.948 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.307 2.891 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.986 3.423 4.801 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.713 4.910 0.476 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.469 4.977 -0.960 1.00 0.00 C ATOM 1556 C ALA A 96 -9.233 6.134 -1.620 1.00 0.00 C ATOM 1557 O ALA A 96 -8.639 6.894 -2.386 1.00 0.00 O ATOM 1558 CB ALA A 96 -8.819 3.649 -1.620 1.00 0.00 C ATOM 0 H ALA A 96 -9.094 4.018 0.791 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.406 5.172 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.632 3.715 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.205 2.857 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.872 3.424 -1.449 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.555 6.291 -1.362 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.327 7.426 -1.888 1.00 0.00 C ATOM 1566 C PRO A 97 -10.732 8.776 -1.489 1.00 0.00 C ATOM 1567 O PRO A 97 -10.637 9.690 -2.309 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.718 7.256 -1.258 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.540 6.269 -0.155 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.415 5.379 -0.585 1.00 0.00 C ATOM 0 HA PRO A 97 -11.337 7.425 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.095 8.205 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.440 6.898 -1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.306 6.770 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.452 5.696 0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.887 4.954 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.769 4.544 -1.189 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.313 8.887 -0.234 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.760 10.137 0.279 1.00 0.00 C ATOM 1580 C ASP A 98 -8.383 10.384 -0.322 1.00 0.00 C ATOM 1581 O ASP A 98 -7.992 11.522 -0.574 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.676 10.095 1.803 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.864 11.463 2.424 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -11.029 11.863 2.630 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -8.861 12.138 2.721 1.00 0.00 O ATOM 0 H ASP A 98 -10.345 8.128 0.447 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.419 10.956 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.436 9.415 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.708 9.693 2.101 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.664 9.296 -0.566 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.389 9.344 -1.266 1.00 0.00 C ATOM 1592 C LEU A 99 -6.587 9.949 -2.654 1.00 0.00 C ATOM 1593 O LEU A 99 -5.773 10.748 -3.125 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.802 7.922 -1.362 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.407 7.785 -1.993 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -4.478 7.768 -3.514 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.501 8.905 -1.521 1.00 0.00 C ATOM 0 H LEU A 99 -7.948 8.358 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.688 9.972 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.762 7.503 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.495 7.307 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.991 6.831 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.473 7.670 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.087 6.925 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.925 8.697 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.517 8.794 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.928 9.865 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.405 8.863 -0.436 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.686 9.573 -3.295 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.010 10.079 -4.618 1.00 0.00 C ATOM 1611 C ALA A 100 -8.287 11.574 -4.567 1.00 0.00 C ATOM 1612 O ALA A 100 -7.963 12.298 -5.500 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.202 9.337 -5.199 1.00 0.00 C ATOM 0 H ALA A 100 -8.369 8.917 -2.917 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.151 9.910 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.428 9.731 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.968 8.275 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.067 9.472 -4.549 1.00 0.00 H new ATOM 1619 N ASP A 101 -8.880 12.028 -3.467 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.175 13.448 -3.288 1.00 0.00 C ATOM 1621 C ASP A 101 -7.923 14.240 -2.945 1.00 0.00 C ATOM 1622 O ASP A 101 -7.804 15.408 -3.314 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.241 13.657 -2.215 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.637 13.706 -2.798 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -12.196 12.637 -3.109 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -12.183 14.819 -2.946 1.00 0.00 O ATOM 0 H ASP A 101 -9.166 11.436 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.561 13.818 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.182 12.850 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.039 14.586 -1.681 1.00 0.00 H new ATOM 1631 N ALA A 102 -6.993 13.613 -2.236 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.709 14.243 -1.952 1.00 0.00 C ATOM 1633 C ALA A 102 -4.960 14.494 -3.250 1.00 0.00 C ATOM 1634 O ALA A 102 -4.510 15.603 -3.514 1.00 0.00 O ATOM 1635 CB ALA A 102 -4.872 13.379 -1.023 1.00 0.00 C ATOM 0 H ALA A 102 -7.102 12.675 -1.849 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.895 15.194 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.920 13.872 -0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.405 13.233 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.690 12.412 -1.491 1.00 0.00 H new ATOM 1641 N MET A 103 -4.843 13.445 -4.055 1.00 0.00 N ATOM 1642 CA MET A 103 -4.247 13.533 -5.386 1.00 0.00 C ATOM 1643 C MET A 103 -5.027 14.518 -6.264 1.00 0.00 C ATOM 1644 O MET A 103 -4.460 15.210 -7.110 1.00 0.00 O ATOM 1645 CB MET A 103 -4.262 12.147 -6.030 1.00 0.00 C ATOM 1646 CG MET A 103 -3.507 12.057 -7.344 1.00 0.00 C ATOM 1647 SD MET A 103 -4.022 10.637 -8.329 1.00 0.00 S ATOM 1648 CE MET A 103 -3.677 9.296 -7.195 1.00 0.00 C ATOM 0 H MET A 103 -5.158 12.508 -3.805 1.00 0.00 H new ATOM 0 HA MET A 103 -3.222 13.892 -5.294 1.00 0.00 H new ATOM 0 HB2 MET A 103 -3.834 11.430 -5.330 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.297 11.849 -6.199 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.666 12.971 -7.916 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.438 11.989 -7.143 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.189 8.482 -7.731 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.021 9.651 -6.400 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.610 8.937 -6.762 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.334 14.560 -6.040 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.248 15.422 -6.783 1.00 0.00 C ATOM 1660 C LYS A 104 -6.965 16.895 -6.496 1.00 0.00 C ATOM 1661 O LYS A 104 -6.677 17.676 -7.402 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.679 15.063 -6.376 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.784 15.737 -7.166 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.133 15.313 -6.610 1.00 0.00 C ATOM 1665 CE LYS A 104 -12.299 15.848 -7.422 1.00 0.00 C ATOM 1666 NZ LYS A 104 -13.605 15.491 -6.800 1.00 0.00 N ATOM 0 H LYS A 104 -6.796 13.991 -5.330 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.111 15.267 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.801 13.984 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.809 15.311 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.679 16.820 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.711 15.466 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.184 14.225 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.223 15.662 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.219 16.932 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.254 15.446 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.381 15.871 -7.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.691 14.456 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.656 15.896 -5.844 1.00 0.00 H new