USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 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 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.088 K(o=-0.088,f=-1.5!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -92:sc= 0.602 USER MOD Single : A 11 TYR OH : rot 180:sc= -2.89! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= 2.08 (180deg=0.966) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.13 (180deg=-0.575) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.73) 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 72:sc= 1.3 USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 1.09 (180deg=0.784) USER MOD Single : A 33 MET CE :methyl 142:sc= -0.199 (180deg=-0.759) USER MOD Single : A 48 GLN : amide:sc= 0.633 K(o=0.63,f=-0.76) USER MOD Single : A 53 MET CE :methyl 143:sc= -0.162 (180deg=-0.636) USER MOD Single : A 54 GLN : amide:sc= 0.676 K(o=0.68,f=-6.2!) USER MOD Single : A 68 MET CE :methyl 135:sc= -4.21! (180deg=-8.02!) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.16) USER MOD Single : A 78 CYS SG : rot 73:sc= 0.641 USER MOD Single : A 88 THR OG1 : rot -82:sc= -0.108 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0637) USER MOD Single : A 93 TYR OH : rot -164:sc= 1.3 USER MOD Single : A 94 ASN : amide:sc= 0.114 K(o=0.11,f=-4.8!) USER MOD Single : A 103 MET CE :methyl -147:sc= -0.0748 (180deg=-1.17) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -1.330 -2.645 14.754 1.00 0.00 N ATOM 54 CA ASN A 5 -2.118 -2.101 13.655 1.00 0.00 C ATOM 55 C ASN A 5 -1.220 -1.368 12.671 1.00 0.00 C ATOM 56 O ASN A 5 -1.700 -0.669 11.779 1.00 0.00 O ATOM 57 CB ASN A 5 -3.216 -1.162 14.168 1.00 0.00 C ATOM 58 CG ASN A 5 -4.404 -1.913 14.738 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.708 -3.030 14.319 1.00 0.00 O ATOM 60 ND2 ASN A 5 -5.092 -1.302 15.688 1.00 0.00 N ATOM 0 HA ASN A 5 -2.598 -2.936 13.144 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.801 -0.509 14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.552 -0.522 13.352 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.907 -1.757 16.100 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.808 -0.376 16.008 1.00 0.00 H new ATOM 67 N SER A 6 0.086 -1.534 12.840 1.00 0.00 N ATOM 68 CA SER A 6 1.064 -0.935 11.944 1.00 0.00 C ATOM 69 C SER A 6 0.882 -1.462 10.525 1.00 0.00 C ATOM 70 O SER A 6 0.598 -2.648 10.330 1.00 0.00 O ATOM 71 CB SER A 6 2.477 -1.241 12.440 1.00 0.00 C ATOM 72 OG SER A 6 2.640 -0.826 13.785 1.00 0.00 O ATOM 0 H SER A 6 0.494 -2.084 13.596 1.00 0.00 H new ATOM 0 HA SER A 6 0.914 0.145 11.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.672 -2.310 12.359 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.207 -0.735 11.808 1.00 0.00 H new ATOM 0 HG SER A 6 3.550 -1.033 14.083 1.00 0.00 H new ATOM 78 N PHE A 7 1.034 -0.583 9.540 1.00 0.00 N ATOM 79 CA PHE A 7 0.905 -0.978 8.146 1.00 0.00 C ATOM 80 C PHE A 7 1.908 -2.077 7.828 1.00 0.00 C ATOM 81 O PHE A 7 1.556 -3.080 7.221 1.00 0.00 O ATOM 82 CB PHE A 7 1.113 0.220 7.213 1.00 0.00 C ATOM 83 CG PHE A 7 0.824 -0.089 5.766 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.451 0.085 5.248 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.824 -0.560 4.927 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.722 -0.201 3.922 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.557 -0.847 3.600 1.00 0.00 C ATOM 88 CZ PHE A 7 0.283 -0.668 3.098 1.00 0.00 C ATOM 0 H PHE A 7 1.246 0.404 9.683 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.105 -1.356 7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.471 1.039 7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.142 0.567 7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.242 0.448 5.888 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.822 -0.704 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.719 -0.059 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.345 -1.211 2.957 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.073 -0.893 2.063 1.00 0.00 H new ATOM 98 N SER A 8 3.150 -1.888 8.266 1.00 0.00 N ATOM 99 CA SER A 8 4.195 -2.892 8.086 1.00 0.00 C ATOM 100 C SER A 8 3.777 -4.247 8.658 1.00 0.00 C ATOM 101 O SER A 8 4.024 -5.288 8.050 1.00 0.00 O ATOM 102 CB SER A 8 5.480 -2.412 8.754 1.00 0.00 C ATOM 103 OG SER A 8 5.201 -1.853 10.028 1.00 0.00 O ATOM 0 H SER A 8 3.458 -1.045 8.750 1.00 0.00 H new ATOM 0 HA SER A 8 4.363 -3.025 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.174 -3.245 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.968 -1.669 8.124 1.00 0.00 H new ATOM 0 HG SER A 8 5.063 -0.887 9.938 1.00 0.00 H new ATOM 109 N ALA A 9 3.128 -4.225 9.817 1.00 0.00 N ATOM 110 CA ALA A 9 2.691 -5.449 10.478 1.00 0.00 C ATOM 111 C ALA A 9 1.635 -6.175 9.648 1.00 0.00 C ATOM 112 O ALA A 9 1.771 -7.365 9.359 1.00 0.00 O ATOM 113 CB ALA A 9 2.155 -5.138 11.868 1.00 0.00 C ATOM 0 H ALA A 9 2.892 -3.369 10.320 1.00 0.00 H new ATOM 0 HA ALA A 9 3.554 -6.108 10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.833 -6.062 12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.940 -4.673 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.308 -4.456 11.787 1.00 0.00 H new ATOM 119 N ILE A 10 0.589 -5.454 9.254 1.00 0.00 N ATOM 120 CA ILE A 10 -0.479 -6.043 8.461 1.00 0.00 C ATOM 121 C ILE A 10 0.028 -6.402 7.066 1.00 0.00 C ATOM 122 O ILE A 10 -0.347 -7.429 6.504 1.00 0.00 O ATOM 123 CB ILE A 10 -1.695 -5.094 8.364 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.251 -4.820 9.768 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.776 -5.692 7.471 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.382 -3.816 9.796 1.00 0.00 C ATOM 0 H ILE A 10 0.461 -4.466 9.471 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.804 -6.955 8.962 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.371 -4.153 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.601 -5.758 10.199 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.443 -4.459 10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.623 -5.008 7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.374 -5.852 6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.105 -6.644 7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.720 -3.677 10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.033 -2.864 9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.209 -4.183 9.188 1.00 0.00 H new ATOM 138 N TYR A 11 0.904 -5.561 6.527 1.00 0.00 N ATOM 139 CA TYR A 11 1.528 -5.823 5.238 1.00 0.00 C ATOM 140 C TYR A 11 2.348 -7.110 5.284 1.00 0.00 C ATOM 141 O TYR A 11 2.291 -7.914 4.361 1.00 0.00 O ATOM 142 CB TYR A 11 2.416 -4.649 4.816 1.00 0.00 C ATOM 143 CG TYR A 11 3.300 -4.970 3.639 1.00 0.00 C ATOM 144 CD1 TYR A 11 2.770 -5.092 2.362 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.662 -5.174 3.811 1.00 0.00 C ATOM 146 CE1 TYR A 11 3.575 -5.414 1.289 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.471 -5.489 2.743 1.00 0.00 C ATOM 148 CZ TYR A 11 4.922 -5.610 1.486 1.00 0.00 C ATOM 149 OH TYR A 11 5.725 -5.937 0.424 1.00 0.00 O ATOM 0 H TYR A 11 1.198 -4.689 6.966 1.00 0.00 H new ATOM 0 HA TYR A 11 0.734 -5.942 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.786 -3.795 4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.038 -4.350 5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.713 -4.933 2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.093 -5.084 4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.150 -5.512 0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.530 -5.640 2.890 1.00 0.00 H new ATOM 0 HH TYR A 11 6.650 -6.040 0.732 1.00 0.00 H new ATOM 159 N LYS A 12 3.110 -7.301 6.357 1.00 0.00 N ATOM 160 CA LYS A 12 3.911 -8.509 6.523 1.00 0.00 C ATOM 161 C LYS A 12 3.018 -9.745 6.489 1.00 0.00 C ATOM 162 O LYS A 12 3.332 -10.740 5.828 1.00 0.00 O ATOM 163 CB LYS A 12 4.691 -8.454 7.842 1.00 0.00 C ATOM 164 CG LYS A 12 5.547 -9.684 8.111 1.00 0.00 C ATOM 165 CD LYS A 12 6.677 -9.819 7.101 1.00 0.00 C ATOM 166 CE LYS A 12 7.452 -11.111 7.310 1.00 0.00 C ATOM 167 NZ LYS A 12 8.613 -11.225 6.389 1.00 0.00 N ATOM 0 H LYS A 12 3.189 -6.634 7.125 1.00 0.00 H new ATOM 0 HA LYS A 12 4.623 -8.570 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.332 -7.573 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.986 -8.329 8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.964 -9.624 9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.922 -10.576 8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.269 -9.796 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.352 -8.968 7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.802 -11.160 8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.786 -11.961 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.111 -12.120 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.278 -11.205 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.263 -10.429 6.550 1.00 0.00 H new ATOM 181 N GLU A 13 1.899 -9.666 7.197 1.00 0.00 N ATOM 182 CA GLU A 13 0.928 -10.751 7.233 1.00 0.00 C ATOM 183 C GLU A 13 0.327 -10.969 5.848 1.00 0.00 C ATOM 184 O GLU A 13 0.311 -12.087 5.333 1.00 0.00 O ATOM 185 CB GLU A 13 -0.168 -10.426 8.249 1.00 0.00 C ATOM 186 CG GLU A 13 -1.213 -11.517 8.401 1.00 0.00 C ATOM 187 CD GLU A 13 -2.276 -11.150 9.413 1.00 0.00 C ATOM 188 OE1 GLU A 13 -3.222 -10.425 9.049 1.00 0.00 O ATOM 189 OE2 GLU A 13 -2.165 -11.576 10.584 1.00 0.00 O ATOM 0 H GLU A 13 1.640 -8.855 7.758 1.00 0.00 H new ATOM 0 HA GLU A 13 1.429 -11.670 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.293 -10.242 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.663 -9.502 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.682 -11.706 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.727 -12.444 8.706 1.00 0.00 H new ATOM 196 N TRP A 14 -0.142 -9.882 5.250 1.00 0.00 N ATOM 197 CA TRP A 14 -0.740 -9.916 3.920 1.00 0.00 C ATOM 198 C TRP A 14 0.246 -10.458 2.884 1.00 0.00 C ATOM 199 O TRP A 14 -0.116 -11.293 2.050 1.00 0.00 O ATOM 200 CB TRP A 14 -1.210 -8.507 3.540 1.00 0.00 C ATOM 201 CG TRP A 14 -1.712 -8.380 2.136 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.908 -8.816 1.646 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.034 -7.753 1.042 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.008 -8.509 0.310 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.870 -7.855 -0.083 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.206 -7.123 0.907 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.508 -7.346 -1.328 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.562 -6.614 -0.327 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.292 -6.729 -1.430 1.00 0.00 C ATOM 0 H TRP A 14 -0.119 -8.953 5.671 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.597 -10.589 3.935 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.002 -8.205 4.225 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.383 -7.811 3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.665 -9.327 2.223 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.801 -8.732 -0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.874 -7.036 1.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.164 -7.435 -2.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.515 -6.119 -0.443 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.016 -6.322 -2.382 1.00 0.00 H new ATOM 220 N TYR A 15 1.491 -9.995 2.956 1.00 0.00 N ATOM 221 CA TYR A 15 2.533 -10.416 2.029 1.00 0.00 C ATOM 222 C TYR A 15 2.704 -11.929 2.036 1.00 0.00 C ATOM 223 O TYR A 15 2.516 -12.574 1.011 1.00 0.00 O ATOM 224 CB TYR A 15 3.868 -9.744 2.361 1.00 0.00 C ATOM 225 CG TYR A 15 5.028 -10.304 1.565 1.00 0.00 C ATOM 226 CD1 TYR A 15 5.009 -10.296 0.176 1.00 0.00 C ATOM 227 CD2 TYR A 15 6.130 -10.863 2.204 1.00 0.00 C ATOM 228 CE1 TYR A 15 6.054 -10.824 -0.554 1.00 0.00 C ATOM 229 CE2 TYR A 15 7.179 -11.394 1.478 1.00 0.00 C ATOM 230 CZ TYR A 15 7.136 -11.370 0.100 1.00 0.00 C ATOM 231 OH TYR A 15 8.178 -11.896 -0.629 1.00 0.00 O ATOM 0 H TYR A 15 1.803 -9.321 3.655 1.00 0.00 H new ATOM 0 HA TYR A 15 2.220 -10.107 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.787 -8.674 2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.074 -9.863 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.162 -9.869 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.166 -10.882 3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.024 -10.809 -1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.028 -11.826 1.987 1.00 0.00 H new ATOM 0 HH TYR A 15 8.863 -12.240 -0.019 1.00 0.00 H new ATOM 241 N GLU A 16 3.047 -12.494 3.189 1.00 0.00 N ATOM 242 CA GLU A 16 3.338 -13.922 3.272 1.00 0.00 C ATOM 243 C GLU A 16 2.090 -14.759 2.996 1.00 0.00 C ATOM 244 O GLU A 16 2.190 -15.902 2.553 1.00 0.00 O ATOM 245 CB GLU A 16 3.942 -14.282 4.630 1.00 0.00 C ATOM 246 CG GLU A 16 5.278 -13.601 4.890 1.00 0.00 C ATOM 247 CD GLU A 16 5.984 -14.129 6.121 1.00 0.00 C ATOM 248 OE1 GLU A 16 5.575 -13.777 7.246 1.00 0.00 O ATOM 249 OE2 GLU A 16 6.968 -14.879 5.973 1.00 0.00 O ATOM 0 H GLU A 16 3.130 -11.991 4.072 1.00 0.00 H new ATOM 0 HA GLU A 16 4.074 -14.153 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.241 -14.005 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.075 -15.362 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.923 -13.737 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.117 -12.529 5.003 1.00 0.00 H new ATOM 256 N HIS A 17 0.922 -14.176 3.242 1.00 0.00 N ATOM 257 CA HIS A 17 -0.342 -14.836 2.932 1.00 0.00 C ATOM 258 C HIS A 17 -0.542 -14.912 1.417 1.00 0.00 C ATOM 259 O HIS A 17 -0.822 -15.977 0.870 1.00 0.00 O ATOM 260 CB HIS A 17 -1.506 -14.086 3.596 1.00 0.00 C ATOM 261 CG HIS A 17 -2.850 -14.732 3.413 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.382 -15.636 4.308 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.780 -14.581 2.441 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.579 -16.010 3.896 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.842 -15.385 2.765 1.00 0.00 N ATOM 0 H HIS A 17 0.824 -13.248 3.655 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.316 -15.852 3.326 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.302 -13.997 4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.546 -13.074 3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.700 -13.945 1.572 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.231 -16.708 4.399 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.698 -15.484 2.219 1.00 0.00 H new ATOM 274 N LYS A 18 -0.379 -13.781 0.737 1.00 0.00 N ATOM 275 CA LYS A 18 -0.549 -13.733 -0.714 1.00 0.00 C ATOM 276 C LYS A 18 0.636 -14.387 -1.418 1.00 0.00 C ATOM 277 O LYS A 18 0.534 -14.802 -2.570 1.00 0.00 O ATOM 278 CB LYS A 18 -0.710 -12.289 -1.197 1.00 0.00 C ATOM 279 CG LYS A 18 -1.957 -11.592 -0.668 1.00 0.00 C ATOM 280 CD LYS A 18 -3.236 -12.269 -1.142 1.00 0.00 C ATOM 281 CE LYS A 18 -3.421 -12.154 -2.651 1.00 0.00 C ATOM 282 NZ LYS A 18 -3.493 -10.738 -3.105 1.00 0.00 N ATOM 0 H LYS A 18 -0.131 -12.889 1.164 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.455 -14.287 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.168 -11.717 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.738 -12.283 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.933 -11.585 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.956 -10.552 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.215 -13.321 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.092 -11.820 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.594 -12.653 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.333 -12.674 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.183 -10.656 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.789 -10.134 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.557 -10.433 -3.441 1.00 0.00 H new ATOM 296 N LYS A 19 1.755 -14.474 -0.712 1.00 0.00 N ATOM 297 CA LYS A 19 2.953 -15.133 -1.219 1.00 0.00 C ATOM 298 C LYS A 19 2.706 -16.631 -1.406 1.00 0.00 C ATOM 299 O LYS A 19 3.389 -17.295 -2.186 1.00 0.00 O ATOM 300 CB LYS A 19 4.116 -14.892 -0.248 1.00 0.00 C ATOM 301 CG LYS A 19 5.398 -15.623 -0.602 1.00 0.00 C ATOM 302 CD LYS A 19 6.482 -15.346 0.424 1.00 0.00 C ATOM 303 CE LYS A 19 7.651 -16.302 0.273 1.00 0.00 C ATOM 304 NZ LYS A 19 7.242 -17.716 0.492 1.00 0.00 N ATOM 0 H LYS A 19 1.859 -14.091 0.227 1.00 0.00 H new ATOM 0 HA LYS A 19 3.208 -14.713 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.323 -13.823 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.805 -15.194 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.207 -16.695 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.738 -15.311 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.834 -14.320 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.066 -15.435 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.079 -16.198 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.432 -16.036 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.075 -18.282 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.542 -17.760 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.823 -18.095 -0.381 1.00 0.00 H new ATOM 318 N GLN A 20 1.714 -17.152 -0.695 1.00 0.00 N ATOM 319 CA GLN A 20 1.339 -18.554 -0.820 1.00 0.00 C ATOM 320 C GLN A 20 0.302 -18.724 -1.927 1.00 0.00 C ATOM 321 O GLN A 20 -0.236 -19.813 -2.140 1.00 0.00 O ATOM 322 CB GLN A 20 0.789 -19.071 0.511 1.00 0.00 C ATOM 323 CG GLN A 20 1.788 -18.971 1.650 1.00 0.00 C ATOM 324 CD GLN A 20 1.219 -19.422 2.979 1.00 0.00 C ATOM 325 OE1 GLN A 20 0.016 -19.321 3.223 1.00 0.00 O ATOM 326 NE2 GLN A 20 2.079 -19.924 3.849 1.00 0.00 N ATOM 0 H GLN A 20 1.154 -16.624 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 20 2.224 -19.135 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.106 -18.506 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.486 -20.111 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.663 -19.576 1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.128 -17.939 1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.068 -19.991 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.753 -20.245 4.761 1.00 0.00 H new ATOM 335 N VAL A 21 0.025 -17.627 -2.621 1.00 0.00 N ATOM 336 CA VAL A 21 -0.906 -17.626 -3.741 1.00 0.00 C ATOM 337 C VAL A 21 -0.175 -17.247 -5.025 1.00 0.00 C ATOM 338 O VAL A 21 -0.395 -17.842 -6.082 1.00 0.00 O ATOM 339 CB VAL A 21 -2.070 -16.635 -3.505 1.00 0.00 C ATOM 340 CG1 VAL A 21 -3.078 -16.702 -4.644 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.749 -16.909 -2.171 1.00 0.00 C ATOM 0 H VAL A 21 0.438 -16.716 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.320 -18.630 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.655 -15.627 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.887 -15.996 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.585 -16.447 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.485 -17.711 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.564 -16.201 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.145 -17.924 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.024 -16.799 -1.364 1.00 0.00 H new ATOM 351 N TRP A 22 0.705 -16.259 -4.920 1.00 0.00 N ATOM 352 CA TRP A 22 1.501 -15.804 -6.053 1.00 0.00 C ATOM 353 C TRP A 22 2.724 -16.694 -6.247 1.00 0.00 C ATOM 354 O TRP A 22 2.870 -17.726 -5.592 1.00 0.00 O ATOM 355 CB TRP A 22 1.973 -14.361 -5.847 1.00 0.00 C ATOM 356 CG TRP A 22 0.867 -13.353 -5.749 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.335 -13.378 -6.398 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.879 -12.152 -4.970 1.00 0.00 C ATOM 359 NE1 TRP A 22 -1.072 -12.268 -6.062 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.349 -11.501 -5.189 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.808 -11.565 -4.107 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.670 -10.294 -4.575 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.487 -10.367 -3.498 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.256 -9.742 -3.735 1.00 0.00 C ATOM 0 H TRP A 22 0.886 -15.753 -4.053 1.00 0.00 H new ATOM 0 HA TRP A 22 0.866 -15.856 -6.937 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.572 -14.314 -4.937 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.627 -14.085 -6.674 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.658 -14.155 -7.075 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.007 -12.051 -6.407 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.760 -12.039 -3.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.618 -9.810 -4.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.197 -9.905 -2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.034 -8.806 -3.244 1.00 0.00 H new ATOM 375 N SER A 23 3.591 -16.291 -7.162 1.00 0.00 N ATOM 376 CA SER A 23 4.862 -16.964 -7.364 1.00 0.00 C ATOM 377 C SER A 23 5.948 -16.221 -6.588 1.00 0.00 C ATOM 378 O SER A 23 5.778 -15.043 -6.262 1.00 0.00 O ATOM 379 CB SER A 23 5.192 -17.012 -8.854 1.00 0.00 C ATOM 380 OG SER A 23 4.088 -17.501 -9.601 1.00 0.00 O ATOM 0 H SER A 23 3.435 -15.495 -7.780 1.00 0.00 H new ATOM 0 HA SER A 23 4.804 -17.989 -6.997 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.460 -16.015 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.059 -17.651 -9.018 1.00 0.00 H new ATOM 0 HG SER A 23 4.321 -17.522 -10.553 1.00 0.00 H new ATOM 386 N VAL A 24 7.059 -16.892 -6.303 1.00 0.00 N ATOM 387 CA VAL A 24 8.082 -16.330 -5.426 1.00 0.00 C ATOM 388 C VAL A 24 8.708 -15.061 -6.016 1.00 0.00 C ATOM 389 O VAL A 24 8.849 -14.058 -5.316 1.00 0.00 O ATOM 390 CB VAL A 24 9.184 -17.367 -5.082 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.953 -17.801 -6.319 1.00 0.00 C ATOM 392 CG2 VAL A 24 10.129 -16.817 -4.025 1.00 0.00 C ATOM 0 H VAL A 24 7.274 -17.821 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 24 7.576 -16.057 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 24 8.689 -18.250 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.716 -18.527 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.266 -18.255 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.429 -16.933 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.894 -17.560 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.604 -15.910 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.568 -16.587 -3.120 1.00 0.00 H new ATOM 402 N GLY A 25 9.057 -15.092 -7.301 1.00 0.00 N ATOM 403 CA GLY A 25 9.672 -13.936 -7.932 1.00 0.00 C ATOM 404 C GLY A 25 8.739 -12.747 -7.972 1.00 0.00 C ATOM 405 O GLY A 25 9.111 -11.638 -7.581 1.00 0.00 O ATOM 0 H GLY A 25 8.925 -15.896 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.579 -13.667 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.973 -14.195 -8.947 1.00 0.00 H new ATOM 409 N TYR A 26 7.518 -12.989 -8.430 1.00 0.00 N ATOM 410 CA TYR A 26 6.490 -11.959 -8.495 1.00 0.00 C ATOM 411 C TYR A 26 6.242 -11.355 -7.115 1.00 0.00 C ATOM 412 O TYR A 26 6.154 -10.134 -6.967 1.00 0.00 O ATOM 413 CB TYR A 26 5.191 -12.550 -9.055 1.00 0.00 C ATOM 414 CG TYR A 26 4.062 -11.549 -9.190 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.024 -10.658 -10.254 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.037 -11.499 -8.254 1.00 0.00 C ATOM 417 CE1 TYR A 26 2.995 -9.745 -10.382 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.005 -10.589 -8.376 1.00 0.00 C ATOM 419 CZ TYR A 26 1.989 -9.715 -9.442 1.00 0.00 C ATOM 420 OH TYR A 26 0.963 -8.806 -9.568 1.00 0.00 O ATOM 0 H TYR A 26 7.213 -13.902 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 26 6.836 -11.166 -9.158 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.395 -12.985 -10.033 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.865 -13.363 -8.406 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.811 -10.679 -10.993 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.047 -12.182 -7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.980 -9.058 -11.215 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.215 -10.562 -7.640 1.00 0.00 H new ATOM 0 HH TYR A 26 0.335 -8.916 -8.824 1.00 0.00 H new ATOM 430 N ALA A 27 6.144 -12.212 -6.105 1.00 0.00 N ATOM 431 CA ALA A 27 5.898 -11.760 -4.743 1.00 0.00 C ATOM 432 C ALA A 27 7.069 -10.933 -4.225 1.00 0.00 C ATOM 433 O ALA A 27 6.874 -9.900 -3.588 1.00 0.00 O ATOM 434 CB ALA A 27 5.633 -12.944 -3.826 1.00 0.00 C ATOM 0 H ALA A 27 6.231 -13.223 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 27 5.012 -11.125 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.451 -12.586 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.758 -13.490 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.499 -13.606 -3.827 1.00 0.00 H new ATOM 440 N THR A 28 8.283 -11.383 -4.517 1.00 0.00 N ATOM 441 CA THR A 28 9.484 -10.690 -4.074 1.00 0.00 C ATOM 442 C THR A 28 9.586 -9.303 -4.713 1.00 0.00 C ATOM 443 O THR A 28 9.891 -8.320 -4.034 1.00 0.00 O ATOM 444 CB THR A 28 10.747 -11.511 -4.399 1.00 0.00 C ATOM 445 OG1 THR A 28 10.632 -12.821 -3.827 1.00 0.00 O ATOM 446 CG2 THR A 28 11.997 -10.834 -3.861 1.00 0.00 C ATOM 0 H THR A 28 8.461 -12.228 -5.060 1.00 0.00 H new ATOM 0 HA THR A 28 9.413 -10.571 -2.993 1.00 0.00 H new ATOM 0 HB THR A 28 10.834 -11.584 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.965 -13.338 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.871 -11.437 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.099 -9.847 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.918 -10.732 -2.779 1.00 0.00 H new ATOM 454 N GLU A 29 9.311 -9.223 -6.014 1.00 0.00 N ATOM 455 CA GLU A 29 9.357 -7.950 -6.726 1.00 0.00 C ATOM 456 C GLU A 29 8.322 -6.979 -6.175 1.00 0.00 C ATOM 457 O GLU A 29 8.626 -5.811 -5.922 1.00 0.00 O ATOM 458 CB GLU A 29 9.129 -8.153 -8.223 1.00 0.00 C ATOM 459 CG GLU A 29 10.278 -8.855 -8.921 1.00 0.00 C ATOM 460 CD GLU A 29 10.090 -8.917 -10.421 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.780 -7.869 -11.026 1.00 0.00 O ATOM 462 OE2 GLU A 29 10.279 -10.004 -11.006 1.00 0.00 O ATOM 0 H GLU A 29 9.055 -10.022 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 29 10.350 -7.526 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.218 -8.733 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.968 -7.183 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.209 -8.335 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.375 -9.867 -8.528 1.00 0.00 H new ATOM 469 N LEU A 30 7.105 -7.473 -5.980 1.00 0.00 N ATOM 470 CA LEU A 30 6.022 -6.661 -5.438 1.00 0.00 C ATOM 471 C LEU A 30 6.364 -6.191 -4.027 1.00 0.00 C ATOM 472 O LEU A 30 6.110 -5.042 -3.663 1.00 0.00 O ATOM 473 CB LEU A 30 4.711 -7.463 -5.448 1.00 0.00 C ATOM 474 CG LEU A 30 3.470 -6.729 -4.924 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.229 -7.234 -5.635 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.314 -6.925 -3.422 1.00 0.00 C ATOM 0 H LEU A 30 6.843 -8.436 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 30 5.892 -5.778 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.513 -7.786 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.855 -8.364 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 30 3.596 -5.665 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.353 -6.707 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.325 -7.055 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.116 -8.303 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.427 -6.395 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.210 -7.988 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.193 -6.533 -2.911 1.00 0.00 H new ATOM 488 N ALA A 31 6.954 -7.087 -3.246 1.00 0.00 N ATOM 489 CA ALA A 31 7.315 -6.782 -1.872 1.00 0.00 C ATOM 490 C ALA A 31 8.364 -5.682 -1.799 1.00 0.00 C ATOM 491 O ALA A 31 8.223 -4.734 -1.025 1.00 0.00 O ATOM 492 CB ALA A 31 7.807 -8.032 -1.164 1.00 0.00 C ATOM 0 H ALA A 31 7.192 -8.033 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 31 6.420 -6.419 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.073 -7.787 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.019 -8.785 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.683 -8.423 -1.682 1.00 0.00 H new ATOM 498 N LYS A 32 9.408 -5.797 -2.608 1.00 0.00 N ATOM 499 CA LYS A 32 10.474 -4.807 -2.604 1.00 0.00 C ATOM 500 C LYS A 32 9.967 -3.465 -3.122 1.00 0.00 C ATOM 501 O LYS A 32 10.450 -2.409 -2.715 1.00 0.00 O ATOM 502 CB LYS A 32 11.665 -5.293 -3.430 1.00 0.00 C ATOM 503 CG LYS A 32 12.810 -4.298 -3.469 1.00 0.00 C ATOM 504 CD LYS A 32 14.090 -4.924 -3.986 1.00 0.00 C ATOM 505 CE LYS A 32 15.217 -3.905 -4.039 1.00 0.00 C ATOM 506 NZ LYS A 32 15.388 -3.191 -2.745 1.00 0.00 N ATOM 0 H LYS A 32 9.539 -6.561 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 32 10.807 -4.669 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.025 -6.236 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.334 -5.497 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.536 -3.455 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.979 -3.901 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.377 -5.755 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.921 -5.335 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.148 -4.408 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.013 -3.181 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.397 -2.994 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.860 -2.295 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.027 -3.784 -1.971 1.00 0.00 H new ATOM 520 N MET A 33 8.981 -3.514 -4.011 1.00 0.00 N ATOM 521 CA MET A 33 8.328 -2.306 -4.493 1.00 0.00 C ATOM 522 C MET A 33 7.712 -1.550 -3.318 1.00 0.00 C ATOM 523 O MET A 33 7.855 -0.330 -3.201 1.00 0.00 O ATOM 524 CB MET A 33 7.256 -2.660 -5.526 1.00 0.00 C ATOM 525 CG MET A 33 6.508 -1.457 -6.070 1.00 0.00 C ATOM 526 SD MET A 33 5.253 -1.907 -7.287 1.00 0.00 S ATOM 527 CE MET A 33 4.187 -2.961 -6.304 1.00 0.00 C ATOM 0 H MET A 33 8.617 -4.379 -4.412 1.00 0.00 H new ATOM 0 HA MET A 33 9.068 -1.666 -4.974 1.00 0.00 H new ATOM 0 HB2 MET A 33 7.725 -3.190 -6.355 1.00 0.00 H new ATOM 0 HB3 MET A 33 6.541 -3.346 -5.073 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.034 -0.926 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.219 -0.768 -6.526 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.147 -2.784 -6.579 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.438 -4.006 -6.488 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.326 -2.735 -5.247 1.00 0.00 H new ATOM 537 N PHE A 34 7.051 -2.292 -2.438 1.00 0.00 N ATOM 538 CA PHE A 34 6.482 -1.719 -1.229 1.00 0.00 C ATOM 539 C PHE A 34 7.579 -1.247 -0.282 1.00 0.00 C ATOM 540 O PHE A 34 7.444 -0.207 0.353 1.00 0.00 O ATOM 541 CB PHE A 34 5.579 -2.727 -0.520 1.00 0.00 C ATOM 542 CG PHE A 34 4.159 -2.719 -1.014 1.00 0.00 C ATOM 543 CD1 PHE A 34 3.819 -3.315 -2.217 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.162 -2.114 -0.265 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.512 -3.307 -2.664 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.856 -2.101 -0.708 1.00 0.00 C ATOM 547 CZ PHE A 34 1.530 -2.698 -1.908 1.00 0.00 C ATOM 0 H PHE A 34 6.897 -3.295 -2.541 1.00 0.00 H new ATOM 0 HA PHE A 34 5.881 -0.859 -1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.994 -3.727 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.583 -2.516 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.584 -3.791 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.411 -1.647 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.259 -3.776 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.089 -1.624 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.508 -2.689 -2.256 1.00 0.00 H new ATOM 557 N ASP A 35 8.666 -2.007 -0.190 1.00 0.00 N ATOM 558 CA ASP A 35 9.783 -1.623 0.671 1.00 0.00 C ATOM 559 C ASP A 35 10.367 -0.281 0.247 1.00 0.00 C ATOM 560 O ASP A 35 10.296 0.695 0.986 1.00 0.00 O ATOM 561 CB ASP A 35 10.903 -2.669 0.663 1.00 0.00 C ATOM 562 CG ASP A 35 10.603 -3.891 1.507 1.00 0.00 C ATOM 563 OD1 ASP A 35 10.429 -3.746 2.736 1.00 0.00 O ATOM 564 OD2 ASP A 35 10.595 -5.011 0.954 1.00 0.00 O ATOM 0 H ASP A 35 8.798 -2.884 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 35 9.378 -1.548 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.086 -2.984 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.822 -2.207 1.023 1.00 0.00 H new ATOM 569 N ASP A 36 10.911 -0.233 -0.960 1.00 0.00 N ATOM 570 CA ASP A 36 11.670 0.926 -1.424 1.00 0.00 C ATOM 571 C ASP A 36 10.841 2.206 -1.473 1.00 0.00 C ATOM 572 O ASP A 36 11.259 3.236 -0.944 1.00 0.00 O ATOM 573 CB ASP A 36 12.276 0.654 -2.800 1.00 0.00 C ATOM 574 CG ASP A 36 13.572 -0.123 -2.720 1.00 0.00 C ATOM 575 OD1 ASP A 36 13.529 -1.359 -2.581 1.00 0.00 O ATOM 576 OD2 ASP A 36 14.652 0.504 -2.788 1.00 0.00 O ATOM 0 H ASP A 36 10.842 -0.988 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 36 12.462 1.083 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.560 0.098 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.455 1.602 -3.308 1.00 0.00 H new ATOM 581 N ASP A 37 9.674 2.155 -2.096 1.00 0.00 N ATOM 582 CA ASP A 37 8.910 3.377 -2.345 1.00 0.00 C ATOM 583 C ASP A 37 7.892 3.667 -1.248 1.00 0.00 C ATOM 584 O ASP A 37 7.559 4.824 -0.999 1.00 0.00 O ATOM 585 CB ASP A 37 8.193 3.304 -3.699 1.00 0.00 C ATOM 586 CG ASP A 37 9.149 3.306 -4.877 1.00 0.00 C ATOM 587 OD1 ASP A 37 9.644 4.390 -5.252 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.409 2.226 -5.442 1.00 0.00 O ATOM 0 H ASP A 37 9.237 1.298 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 37 9.632 4.193 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.585 2.400 -3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.512 4.150 -3.789 1.00 0.00 H new ATOM 593 N ILE A 38 7.405 2.630 -0.582 1.00 0.00 N ATOM 594 CA ILE A 38 6.265 2.782 0.315 1.00 0.00 C ATOM 595 C ILE A 38 6.662 2.716 1.792 1.00 0.00 C ATOM 596 O ILE A 38 6.125 3.459 2.621 1.00 0.00 O ATOM 597 CB ILE A 38 5.199 1.701 0.017 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.948 1.627 -1.496 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.908 1.992 0.773 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.801 0.728 -1.899 1.00 0.00 C ATOM 0 H ILE A 38 7.776 1.682 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 38 5.852 3.774 0.131 1.00 0.00 H new ATOM 0 HB ILE A 38 5.569 0.734 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.753 2.633 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.857 1.277 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.173 1.219 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.108 2.002 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.518 2.963 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.696 0.736 -2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.000 -0.289 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.879 1.088 -1.443 1.00 0.00 H new ATOM 612 N LEU A 39 7.612 1.846 2.120 1.00 0.00 N ATOM 613 CA LEU A 39 7.967 1.583 3.514 1.00 0.00 C ATOM 614 C LEU A 39 8.518 2.834 4.225 1.00 0.00 C ATOM 615 O LEU A 39 8.078 3.144 5.331 1.00 0.00 O ATOM 616 CB LEU A 39 8.965 0.420 3.597 1.00 0.00 C ATOM 617 CG LEU A 39 8.852 -0.478 4.836 1.00 0.00 C ATOM 618 CD1 LEU A 39 9.346 0.236 6.085 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.414 -0.947 5.021 1.00 0.00 C ATOM 0 H LEU A 39 8.151 1.310 1.440 1.00 0.00 H new ATOM 0 HA LEU A 39 7.053 1.303 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.842 -0.202 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.974 0.830 3.561 1.00 0.00 H new ATOM 0 HG LEU A 39 9.488 -1.349 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.252 -0.428 6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.391 0.516 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.749 1.132 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.349 -1.583 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.763 -0.082 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.100 -1.512 4.143 1.00 0.00 H new ATOM 631 N PRO A 40 9.473 3.585 3.627 1.00 0.00 N ATOM 632 CA PRO A 40 10.016 4.795 4.262 1.00 0.00 C ATOM 633 C PRO A 40 8.984 5.920 4.366 1.00 0.00 C ATOM 634 O PRO A 40 9.238 6.950 4.995 1.00 0.00 O ATOM 635 CB PRO A 40 11.163 5.210 3.336 1.00 0.00 C ATOM 636 CG PRO A 40 10.817 4.620 2.016 1.00 0.00 C ATOM 637 CD PRO A 40 10.112 3.330 2.320 1.00 0.00 C ATOM 0 HA PRO A 40 10.328 4.601 5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.249 6.295 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.120 4.835 3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.177 5.291 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.712 4.446 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.376 3.085 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.809 2.494 2.371 1.00 0.00 H new ATOM 645 N ILE A 41 7.828 5.716 3.749 1.00 0.00 N ATOM 646 CA ILE A 41 6.764 6.708 3.770 1.00 0.00 C ATOM 647 C ILE A 41 5.739 6.377 4.855 1.00 0.00 C ATOM 648 O ILE A 41 5.622 7.095 5.848 1.00 0.00 O ATOM 649 CB ILE A 41 6.051 6.805 2.400 1.00 0.00 C ATOM 650 CG1 ILE A 41 7.057 7.099 1.281 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.968 7.876 2.434 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.765 8.433 1.418 1.00 0.00 C ATOM 0 H ILE A 41 7.604 4.869 3.226 1.00 0.00 H new ATOM 0 HA ILE A 41 7.225 7.671 3.989 1.00 0.00 H new ATOM 0 HB ILE A 41 5.582 5.843 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.803 6.305 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.537 7.073 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.478 7.929 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.232 7.625 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.418 8.841 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.459 8.564 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.030 9.238 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.316 8.458 2.358 1.00 0.00 H new ATOM 664 N ILE A 42 5.020 5.269 4.683 1.00 0.00 N ATOM 665 CA ILE A 42 3.935 4.920 5.601 1.00 0.00 C ATOM 666 C ILE A 42 4.181 3.596 6.318 1.00 0.00 C ATOM 667 O ILE A 42 3.328 3.133 7.073 1.00 0.00 O ATOM 668 CB ILE A 42 2.584 4.800 4.873 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.650 3.694 3.820 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.196 6.126 4.239 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.306 3.087 3.508 1.00 0.00 C ATOM 0 H ILE A 42 5.166 4.603 3.925 1.00 0.00 H new ATOM 0 HA ILE A 42 3.906 5.734 6.326 1.00 0.00 H new ATOM 0 HB ILE A 42 1.817 4.539 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.079 4.099 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.323 2.910 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.238 6.019 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.112 6.889 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.959 6.422 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.424 2.309 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.884 2.652 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.637 3.860 3.130 1.00 0.00 H new ATOM 683 N GLY A 43 5.340 2.994 6.086 1.00 0.00 N ATOM 684 CA GLY A 43 5.620 1.680 6.643 1.00 0.00 C ATOM 685 C GLY A 43 5.503 1.640 8.154 1.00 0.00 C ATOM 686 O GLY A 43 4.997 0.666 8.720 1.00 0.00 O ATOM 0 H GLY A 43 6.093 3.390 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.931 0.954 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.626 1.376 6.354 1.00 0.00 H new ATOM 690 N GLY A 44 5.944 2.709 8.803 1.00 0.00 N ATOM 691 CA GLY A 44 5.925 2.758 10.249 1.00 0.00 C ATOM 692 C GLY A 44 4.658 3.384 10.797 1.00 0.00 C ATOM 693 O GLY A 44 4.569 3.669 11.992 1.00 0.00 O ATOM 0 H GLY A 44 6.315 3.545 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.026 1.747 10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.787 3.325 10.601 1.00 0.00 H new ATOM 697 N LEU A 45 3.676 3.598 9.933 1.00 0.00 N ATOM 698 CA LEU A 45 2.415 4.184 10.350 1.00 0.00 C ATOM 699 C LEU A 45 1.382 3.095 10.574 1.00 0.00 C ATOM 700 O LEU A 45 1.441 2.040 9.945 1.00 0.00 O ATOM 701 CB LEU A 45 1.916 5.163 9.293 1.00 0.00 C ATOM 702 CG LEU A 45 2.839 6.348 9.022 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.342 7.139 7.829 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.933 7.241 10.248 1.00 0.00 C ATOM 0 H LEU A 45 3.730 3.374 8.939 1.00 0.00 H new ATOM 0 HA LEU A 45 2.571 4.722 11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.764 4.620 8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.943 5.544 9.603 1.00 0.00 H new ATOM 0 HG LEU A 45 3.835 5.967 8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.010 7.981 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.321 6.496 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.337 7.510 8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.595 8.081 10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.941 7.616 10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.330 6.668 11.086 1.00 0.00 H new ATOM 716 N GLU A 46 0.450 3.340 11.475 1.00 0.00 N ATOM 717 CA GLU A 46 -0.613 2.386 11.722 1.00 0.00 C ATOM 718 C GLU A 46 -1.763 2.610 10.755 1.00 0.00 C ATOM 719 O GLU A 46 -2.066 3.741 10.382 1.00 0.00 O ATOM 720 CB GLU A 46 -1.076 2.441 13.175 1.00 0.00 C ATOM 721 CG GLU A 46 0.029 2.054 14.143 1.00 0.00 C ATOM 722 CD GLU A 46 -0.479 1.751 15.532 1.00 0.00 C ATOM 723 OE1 GLU A 46 -0.830 0.585 15.799 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.507 2.675 16.366 1.00 0.00 O ATOM 0 H GLU A 46 0.407 4.185 12.044 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.223 1.383 11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.423 3.448 13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.926 1.772 13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.553 1.180 13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.756 2.864 14.197 1.00 0.00 H new ATOM 731 N ILE A 47 -2.396 1.516 10.368 1.00 0.00 N ATOM 732 CA ILE A 47 -3.344 1.496 9.262 1.00 0.00 C ATOM 733 C ILE A 47 -4.541 2.430 9.491 1.00 0.00 C ATOM 734 O ILE A 47 -5.174 2.882 8.539 1.00 0.00 O ATOM 735 CB ILE A 47 -3.822 0.047 9.003 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.436 -0.079 7.612 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.815 -0.399 10.072 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.596 -1.511 7.153 1.00 0.00 C ATOM 0 H ILE A 47 -2.267 0.608 10.815 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.823 1.870 8.380 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.953 -0.609 9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.412 0.407 7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.811 0.456 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.136 -1.420 9.867 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.338 -0.358 11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.682 0.262 10.062 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.038 -1.527 6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.620 -1.995 7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.246 -2.045 7.847 1.00 0.00 H new ATOM 750 N GLN A 48 -4.838 2.732 10.750 1.00 0.00 N ATOM 751 CA GLN A 48 -5.942 3.635 11.073 1.00 0.00 C ATOM 752 C GLN A 48 -5.466 5.085 11.103 1.00 0.00 C ATOM 753 O GLN A 48 -6.266 6.016 11.007 1.00 0.00 O ATOM 754 CB GLN A 48 -6.542 3.297 12.439 1.00 0.00 C ATOM 755 CG GLN A 48 -6.926 1.839 12.626 1.00 0.00 C ATOM 756 CD GLN A 48 -7.589 1.603 13.970 1.00 0.00 C ATOM 757 OE1 GLN A 48 -7.330 2.322 14.933 1.00 0.00 O ATOM 758 NE2 GLN A 48 -8.433 0.590 14.053 1.00 0.00 N ATOM 0 H GLN A 48 -4.335 2.369 11.560 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.698 3.510 10.298 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.824 3.571 13.213 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.428 3.913 12.593 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.603 1.535 11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.036 1.215 12.544 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.623 0.016 13.232 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.895 0.382 14.938 1.00 0.00 H new ATOM 767 N ASP A 49 -4.158 5.265 11.222 1.00 0.00 N ATOM 768 CA ASP A 49 -3.582 6.575 11.509 1.00 0.00 C ATOM 769 C ASP A 49 -3.026 7.237 10.250 1.00 0.00 C ATOM 770 O ASP A 49 -2.841 8.454 10.215 1.00 0.00 O ATOM 771 CB ASP A 49 -2.478 6.420 12.561 1.00 0.00 C ATOM 772 CG ASP A 49 -1.857 7.736 12.982 1.00 0.00 C ATOM 773 OD1 ASP A 49 -2.587 8.606 13.501 1.00 0.00 O ATOM 774 OD2 ASP A 49 -0.626 7.893 12.836 1.00 0.00 O ATOM 0 H ASP A 49 -3.471 4.517 11.124 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.371 7.222 11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.891 5.924 13.440 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.698 5.769 12.165 1.00 0.00 H new ATOM 779 N ILE A 50 -2.779 6.433 9.221 1.00 0.00 N ATOM 780 CA ILE A 50 -2.197 6.921 7.970 1.00 0.00 C ATOM 781 C ILE A 50 -3.031 8.049 7.360 1.00 0.00 C ATOM 782 O ILE A 50 -4.252 7.936 7.224 1.00 0.00 O ATOM 783 CB ILE A 50 -2.054 5.782 6.937 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.167 4.671 7.499 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.480 6.309 5.627 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.008 3.487 6.569 1.00 0.00 C ATOM 0 H ILE A 50 -2.974 5.432 9.227 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.209 7.309 8.217 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.044 5.374 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.182 5.082 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.588 4.326 8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.388 5.489 4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.144 7.071 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.497 6.743 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.366 2.741 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.986 3.049 6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.558 3.818 5.633 1.00 0.00 H new ATOM 798 N GLU A 51 -2.358 9.134 7.005 1.00 0.00 N ATOM 799 CA GLU A 51 -3.010 10.281 6.391 1.00 0.00 C ATOM 800 C GLU A 51 -3.104 10.102 4.882 1.00 0.00 C ATOM 801 O GLU A 51 -2.268 9.423 4.277 1.00 0.00 O ATOM 802 CB GLU A 51 -2.228 11.556 6.695 1.00 0.00 C ATOM 803 CG GLU A 51 -2.177 11.917 8.165 1.00 0.00 C ATOM 804 CD GLU A 51 -1.347 13.155 8.414 1.00 0.00 C ATOM 805 OE1 GLU A 51 -1.876 14.280 8.249 1.00 0.00 O ATOM 806 OE2 GLU A 51 -0.157 13.016 8.762 1.00 0.00 O ATOM 0 H GLU A 51 -1.352 9.244 7.133 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.015 10.360 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.209 11.441 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.676 12.383 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.190 12.079 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.762 11.082 8.729 1.00 0.00 H new ATOM 813 N PRO A 52 -4.113 10.720 4.245 1.00 0.00 N ATOM 814 CA PRO A 52 -4.260 10.694 2.789 1.00 0.00 C ATOM 815 C PRO A 52 -3.047 11.306 2.095 1.00 0.00 C ATOM 816 O PRO A 52 -2.664 10.884 1.005 1.00 0.00 O ATOM 817 CB PRO A 52 -5.518 11.533 2.524 1.00 0.00 C ATOM 818 CG PRO A 52 -5.738 12.321 3.770 1.00 0.00 C ATOM 819 CD PRO A 52 -5.195 11.484 4.893 1.00 0.00 C ATOM 0 HA PRO A 52 -4.340 9.678 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.379 12.188 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.376 10.897 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.227 13.283 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.798 12.530 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.820 12.100 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.958 10.827 5.312 1.00 0.00 H new ATOM 827 N MET A 53 -2.433 12.290 2.751 1.00 0.00 N ATOM 828 CA MET A 53 -1.239 12.943 2.223 1.00 0.00 C ATOM 829 C MET A 53 -0.094 11.950 2.087 1.00 0.00 C ATOM 830 O MET A 53 0.624 11.955 1.094 1.00 0.00 O ATOM 831 CB MET A 53 -0.803 14.093 3.132 1.00 0.00 C ATOM 832 CG MET A 53 -1.743 15.283 3.111 1.00 0.00 C ATOM 833 SD MET A 53 -1.258 16.572 4.279 1.00 0.00 S ATOM 834 CE MET A 53 0.383 16.978 3.688 1.00 0.00 C ATOM 0 H MET A 53 -2.745 12.652 3.652 1.00 0.00 H new ATOM 0 HA MET A 53 -1.488 13.338 1.238 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.722 13.724 4.155 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.192 14.423 2.832 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.771 15.701 2.105 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.753 14.947 3.345 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.551 18.050 3.789 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.125 16.438 4.275 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.473 16.694 2.640 1.00 0.00 H new ATOM 844 N GLN A 54 0.051 11.091 3.086 1.00 0.00 N ATOM 845 CA GLN A 54 1.145 10.129 3.124 1.00 0.00 C ATOM 846 C GLN A 54 0.923 9.000 2.133 1.00 0.00 C ATOM 847 O GLN A 54 1.856 8.548 1.476 1.00 0.00 O ATOM 848 CB GLN A 54 1.290 9.572 4.534 1.00 0.00 C ATOM 849 CG GLN A 54 1.833 10.591 5.512 1.00 0.00 C ATOM 850 CD GLN A 54 1.473 10.274 6.949 1.00 0.00 C ATOM 851 OE1 GLN A 54 0.437 9.668 7.221 1.00 0.00 O ATOM 852 NE2 GLN A 54 2.322 10.681 7.876 1.00 0.00 N ATOM 0 H GLN A 54 -0.579 11.040 3.886 1.00 0.00 H new ATOM 0 HA GLN A 54 2.063 10.643 2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.319 9.221 4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.953 8.707 4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.918 10.638 5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.447 11.577 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.170 11.180 7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.130 10.496 8.860 1.00 0.00 H new ATOM 861 N LEU A 55 -0.314 8.550 2.019 1.00 0.00 N ATOM 862 CA LEU A 55 -0.637 7.488 1.082 1.00 0.00 C ATOM 863 C LEU A 55 -0.463 7.991 -0.352 1.00 0.00 C ATOM 864 O LEU A 55 -0.025 7.256 -1.237 1.00 0.00 O ATOM 865 CB LEU A 55 -2.061 6.978 1.324 1.00 0.00 C ATOM 866 CG LEU A 55 -2.415 5.668 0.616 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.429 4.570 0.995 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.833 5.241 0.965 1.00 0.00 C ATOM 0 H LEU A 55 -1.106 8.900 2.559 1.00 0.00 H new ATOM 0 HA LEU A 55 0.045 6.652 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.204 6.843 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.764 7.747 1.003 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.354 5.834 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.698 3.647 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.422 4.868 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.461 4.408 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.068 4.308 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.914 5.095 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.534 6.014 0.650 1.00 0.00 H new ATOM 880 N LEU A 56 -0.781 9.263 -0.567 1.00 0.00 N ATOM 881 CA LEU A 56 -0.595 9.888 -1.870 1.00 0.00 C ATOM 882 C LEU A 56 0.888 10.179 -2.091 1.00 0.00 C ATOM 883 O LEU A 56 1.384 10.119 -3.214 1.00 0.00 O ATOM 884 CB LEU A 56 -1.447 11.166 -1.963 1.00 0.00 C ATOM 885 CG LEU A 56 -1.611 11.777 -3.364 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.441 12.683 -3.700 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.756 10.690 -4.419 1.00 0.00 C ATOM 0 H LEU A 56 -1.169 9.881 0.145 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.926 9.211 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.439 10.945 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.005 11.920 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.522 12.376 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.580 13.103 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.385 13.491 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.484 12.107 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.871 11.149 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.868 10.058 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.634 10.083 -4.198 1.00 0.00 H new ATOM 899 N GLU A 57 1.585 10.483 -1.004 1.00 0.00 N ATOM 900 CA GLU A 57 3.032 10.664 -1.029 1.00 0.00 C ATOM 901 C GLU A 57 3.703 9.396 -1.544 1.00 0.00 C ATOM 902 O GLU A 57 4.658 9.452 -2.317 1.00 0.00 O ATOM 903 CB GLU A 57 3.513 11.001 0.380 1.00 0.00 C ATOM 904 CG GLU A 57 5.001 11.253 0.510 1.00 0.00 C ATOM 905 CD GLU A 57 5.366 11.721 1.902 1.00 0.00 C ATOM 906 OE1 GLU A 57 4.867 11.123 2.880 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.127 12.699 2.025 1.00 0.00 O ATOM 0 H GLU A 57 1.166 10.611 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 57 3.296 11.482 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.979 11.886 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.240 10.182 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.547 10.339 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.309 12.002 -0.219 1.00 0.00 H new ATOM 914 N VAL A 58 3.175 8.257 -1.114 1.00 0.00 N ATOM 915 CA VAL A 58 3.601 6.959 -1.615 1.00 0.00 C ATOM 916 C VAL A 58 3.447 6.889 -3.134 1.00 0.00 C ATOM 917 O VAL A 58 4.402 6.601 -3.860 1.00 0.00 O ATOM 918 CB VAL A 58 2.781 5.827 -0.958 1.00 0.00 C ATOM 919 CG1 VAL A 58 3.043 4.497 -1.642 1.00 0.00 C ATOM 920 CG2 VAL A 58 3.098 5.732 0.526 1.00 0.00 C ATOM 0 H VAL A 58 2.440 8.208 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 58 4.653 6.830 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 58 1.724 6.065 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.453 3.717 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.762 4.567 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.102 4.251 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.511 4.929 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.159 5.523 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.851 6.676 1.012 1.00 0.00 H new ATOM 930 N ILE A 59 2.241 7.171 -3.610 1.00 0.00 N ATOM 931 CA ILE A 59 1.958 7.149 -5.044 1.00 0.00 C ATOM 932 C ILE A 59 2.854 8.145 -5.795 1.00 0.00 C ATOM 933 O ILE A 59 3.358 7.841 -6.877 1.00 0.00 O ATOM 934 CB ILE A 59 0.454 7.425 -5.336 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.377 6.138 -5.231 1.00 0.00 C ATOM 936 CG2 ILE A 59 0.252 8.050 -6.708 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.428 5.533 -3.846 1.00 0.00 C ATOM 0 H ILE A 59 1.442 7.418 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 59 2.184 6.146 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 59 0.112 8.132 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.395 6.351 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.032 5.400 -5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.811 8.227 -6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.790 8.996 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.631 7.375 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.036 4.629 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.582 5.284 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.867 6.250 -3.152 1.00 0.00 H new ATOM 949 N ARG A 60 3.081 9.319 -5.205 1.00 0.00 N ATOM 950 CA ARG A 60 3.972 10.310 -5.808 1.00 0.00 C ATOM 951 C ARG A 60 5.411 9.831 -5.813 1.00 0.00 C ATOM 952 O ARG A 60 6.186 10.207 -6.687 1.00 0.00 O ATOM 953 CB ARG A 60 3.896 11.652 -5.090 1.00 0.00 C ATOM 954 CG ARG A 60 2.695 12.482 -5.483 1.00 0.00 C ATOM 955 CD ARG A 60 2.744 13.859 -4.839 1.00 0.00 C ATOM 956 NE ARG A 60 3.092 13.784 -3.418 1.00 0.00 N ATOM 957 CZ ARG A 60 2.779 14.713 -2.514 1.00 0.00 C ATOM 958 NH1 ARG A 60 2.102 15.800 -2.867 1.00 0.00 N ATOM 959 NH2 ARG A 60 3.169 14.557 -1.253 1.00 0.00 N ATOM 0 H ARG A 60 2.665 9.605 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 60 3.634 10.442 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.871 11.478 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.803 12.219 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.660 12.586 -6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.781 11.969 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.475 14.478 -5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.776 14.347 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 60 3.609 12.965 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.816 15.930 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.868 16.504 -2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.704 13.731 -0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.934 15.263 -0.555 1.00 0.00 H new ATOM 973 N ARG A 61 5.772 9.011 -4.835 1.00 0.00 N ATOM 974 CA ARG A 61 7.108 8.439 -4.787 1.00 0.00 C ATOM 975 C ARG A 61 7.349 7.614 -6.046 1.00 0.00 C ATOM 976 O ARG A 61 8.444 7.627 -6.616 1.00 0.00 O ATOM 977 CB ARG A 61 7.289 7.581 -3.530 1.00 0.00 C ATOM 978 CG ARG A 61 8.727 7.151 -3.295 1.00 0.00 C ATOM 979 CD ARG A 61 9.645 8.358 -3.224 1.00 0.00 C ATOM 980 NE ARG A 61 11.052 7.982 -3.115 1.00 0.00 N ATOM 981 CZ ARG A 61 11.968 8.272 -4.037 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.606 8.834 -5.183 1.00 0.00 N ATOM 983 NH2 ARG A 61 13.245 7.986 -3.819 1.00 0.00 N ATOM 0 H ARG A 61 5.161 8.729 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 61 7.840 9.245 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.939 8.141 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.661 6.694 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.794 6.582 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.050 6.490 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.504 8.971 -4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.368 8.972 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 61 11.350 7.468 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.624 9.045 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.310 9.055 -5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.526 7.543 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.945 8.209 -4.526 1.00 0.00 H new ATOM 997 N PHE A 62 6.305 6.922 -6.489 1.00 0.00 N ATOM 998 CA PHE A 62 6.352 6.202 -7.756 1.00 0.00 C ATOM 999 C PHE A 62 6.426 7.176 -8.931 1.00 0.00 C ATOM 1000 O PHE A 62 7.153 6.936 -9.897 1.00 0.00 O ATOM 1001 CB PHE A 62 5.134 5.292 -7.917 1.00 0.00 C ATOM 1002 CG PHE A 62 5.146 4.105 -7.002 1.00 0.00 C ATOM 1003 CD1 PHE A 62 4.583 4.177 -5.741 1.00 0.00 C ATOM 1004 CD2 PHE A 62 5.725 2.915 -7.407 1.00 0.00 C ATOM 1005 CE1 PHE A 62 4.598 3.085 -4.898 1.00 0.00 C ATOM 1006 CE2 PHE A 62 5.743 1.819 -6.570 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.178 1.904 -5.314 1.00 0.00 C ATOM 0 H PHE A 62 5.418 6.845 -5.991 1.00 0.00 H new ATOM 0 HA PHE A 62 7.250 5.585 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.230 5.873 -7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.085 4.944 -8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.126 5.099 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.168 2.844 -8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.157 3.154 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.198 0.896 -6.897 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.190 1.047 -4.657 1.00 0.00 H new ATOM 1017 N GLU A 63 5.677 8.274 -8.841 1.00 0.00 N ATOM 1018 CA GLU A 63 5.682 9.295 -9.888 1.00 0.00 C ATOM 1019 C GLU A 63 7.061 9.924 -10.032 1.00 0.00 C ATOM 1020 O GLU A 63 7.532 10.149 -11.146 1.00 0.00 O ATOM 1021 CB GLU A 63 4.657 10.390 -9.601 1.00 0.00 C ATOM 1022 CG GLU A 63 3.221 9.906 -9.596 1.00 0.00 C ATOM 1023 CD GLU A 63 2.245 11.037 -9.836 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.951 11.324 -11.016 1.00 0.00 O ATOM 1025 OE2 GLU A 63 1.792 11.667 -8.859 1.00 0.00 O ATOM 0 H GLU A 63 5.060 8.479 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 63 5.416 8.797 -10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.882 10.839 -8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.762 11.176 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.091 9.145 -10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.000 9.433 -8.639 1.00 0.00 H new ATOM 1032 N ASP A 64 7.689 10.220 -8.895 1.00 0.00 N ATOM 1033 CA ASP A 64 9.069 10.711 -8.871 1.00 0.00 C ATOM 1034 C ASP A 64 9.979 9.857 -9.744 1.00 0.00 C ATOM 1035 O ASP A 64 10.816 10.381 -10.479 1.00 0.00 O ATOM 1036 CB ASP A 64 9.621 10.731 -7.442 1.00 0.00 C ATOM 1037 CG ASP A 64 9.370 12.043 -6.732 1.00 0.00 C ATOM 1038 OD1 ASP A 64 8.273 12.224 -6.175 1.00 0.00 O ATOM 1039 OD2 ASP A 64 10.277 12.904 -6.723 1.00 0.00 O ATOM 0 H ASP A 64 7.263 10.128 -7.973 1.00 0.00 H new ATOM 0 HA ASP A 64 9.051 11.727 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.166 9.922 -6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.693 10.538 -7.469 1.00 0.00 H new ATOM 1044 N ARG A 65 9.812 8.543 -9.663 1.00 0.00 N ATOM 1045 CA ARG A 65 10.625 7.629 -10.454 1.00 0.00 C ATOM 1046 C ARG A 65 10.096 7.507 -11.878 1.00 0.00 C ATOM 1047 O ARG A 65 10.862 7.261 -12.810 1.00 0.00 O ATOM 1048 CB ARG A 65 10.689 6.251 -9.801 1.00 0.00 C ATOM 1049 CG ARG A 65 11.435 6.239 -8.478 1.00 0.00 C ATOM 1050 CD ARG A 65 11.835 4.828 -8.078 1.00 0.00 C ATOM 1051 NE ARG A 65 10.685 3.987 -7.747 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.175 3.059 -8.557 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.624 2.929 -9.801 1.00 0.00 N ATOM 1054 NH2 ARG A 65 9.215 2.259 -8.115 1.00 0.00 N ATOM 0 H ARG A 65 9.125 8.089 -9.061 1.00 0.00 H new ATOM 0 HA ARG A 65 11.632 8.044 -10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.674 5.887 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.172 5.555 -10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.325 6.863 -8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.807 6.675 -7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.393 4.368 -8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.505 4.874 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 65 10.244 4.119 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.364 3.542 -10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.228 2.216 -10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.870 2.355 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.821 1.547 -8.730 1.00 0.00 H new ATOM 1068 N GLY A 66 8.789 7.683 -12.040 1.00 0.00 N ATOM 1069 CA GLY A 66 8.188 7.621 -13.359 1.00 0.00 C ATOM 1070 C GLY A 66 7.363 6.367 -13.569 1.00 0.00 C ATOM 1071 O GLY A 66 7.124 5.956 -14.703 1.00 0.00 O ATOM 0 H GLY A 66 8.134 7.868 -11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.555 8.496 -13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.973 7.665 -14.114 1.00 0.00 H new ATOM 1075 N ALA A 67 6.923 5.752 -12.481 1.00 0.00 N ATOM 1076 CA ALA A 67 6.106 4.551 -12.564 1.00 0.00 C ATOM 1077 C ALA A 67 4.630 4.902 -12.443 1.00 0.00 C ATOM 1078 O ALA A 67 4.135 5.143 -11.346 1.00 0.00 O ATOM 1079 CB ALA A 67 6.508 3.557 -11.483 1.00 0.00 C ATOM 0 H ALA A 67 7.118 6.065 -11.530 1.00 0.00 H new ATOM 0 HA ALA A 67 6.272 4.088 -13.537 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.887 2.665 -11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.555 3.282 -11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.371 4.011 -10.502 1.00 0.00 H new ATOM 1085 N MET A 68 3.933 4.946 -13.572 1.00 0.00 N ATOM 1086 CA MET A 68 2.522 5.320 -13.582 1.00 0.00 C ATOM 1087 C MET A 68 1.633 4.146 -13.201 1.00 0.00 C ATOM 1088 O MET A 68 0.863 4.228 -12.245 1.00 0.00 O ATOM 1089 CB MET A 68 2.112 5.860 -14.954 1.00 0.00 C ATOM 1090 CG MET A 68 2.746 7.195 -15.327 1.00 0.00 C ATOM 1091 SD MET A 68 2.056 8.598 -14.417 1.00 0.00 S ATOM 1092 CE MET A 68 2.763 8.369 -12.787 1.00 0.00 C ATOM 0 H MET A 68 4.319 4.728 -14.491 1.00 0.00 H new ATOM 0 HA MET A 68 2.389 6.106 -12.838 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.375 5.123 -15.713 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.028 5.969 -14.978 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.819 7.144 -15.142 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.615 7.365 -16.396 1.00 0.00 H new ATOM 0 HE1 MET A 68 3.134 9.324 -12.414 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.999 7.987 -12.110 1.00 0.00 H new ATOM 0 HE3 MET A 68 3.586 7.657 -12.844 1.00 0.00 H new ATOM 1102 N GLU A 69 1.745 3.057 -13.946 1.00 0.00 N ATOM 1103 CA GLU A 69 0.919 1.884 -13.707 1.00 0.00 C ATOM 1104 C GLU A 69 1.153 1.330 -12.306 1.00 0.00 C ATOM 1105 O GLU A 69 0.206 0.963 -11.608 1.00 0.00 O ATOM 1106 CB GLU A 69 1.215 0.801 -14.741 1.00 0.00 C ATOM 1107 CG GLU A 69 0.292 -0.399 -14.634 1.00 0.00 C ATOM 1108 CD GLU A 69 0.798 -1.585 -15.420 1.00 0.00 C ATOM 1109 OE1 GLU A 69 0.521 -1.667 -16.631 1.00 0.00 O ATOM 1110 OE2 GLU A 69 1.478 -2.445 -14.821 1.00 0.00 O ATOM 0 H GLU A 69 2.400 2.961 -14.722 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.124 2.188 -13.795 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.129 1.229 -15.740 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.247 0.469 -14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.185 -0.680 -13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.700 -0.125 -14.993 1.00 0.00 H new ATOM 1117 N ARG A 70 2.414 1.281 -11.889 1.00 0.00 N ATOM 1118 CA ARG A 70 2.743 0.745 -10.577 1.00 0.00 C ATOM 1119 C ARG A 70 2.379 1.717 -9.460 1.00 0.00 C ATOM 1120 O ARG A 70 2.302 1.323 -8.298 1.00 0.00 O ATOM 1121 CB ARG A 70 4.212 0.332 -10.485 1.00 0.00 C ATOM 1122 CG ARG A 70 4.497 -0.963 -11.225 1.00 0.00 C ATOM 1123 CD ARG A 70 5.819 -1.586 -10.810 1.00 0.00 C ATOM 1124 NE ARG A 70 6.976 -0.832 -11.290 1.00 0.00 N ATOM 1125 CZ ARG A 70 8.158 -1.392 -11.547 1.00 0.00 C ATOM 1126 NH1 ARG A 70 8.315 -2.703 -11.402 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.177 -0.645 -11.950 1.00 0.00 N ATOM 0 H ARG A 70 3.214 1.602 -12.434 1.00 0.00 H new ATOM 0 HA ARG A 70 2.138 -0.152 -10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.836 1.126 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.489 0.217 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.690 -1.671 -11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.510 -0.771 -12.298 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.859 -1.651 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.871 -2.605 -11.193 1.00 0.00 H new ATOM 0 HE ARG A 70 6.874 0.172 -11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.532 -3.280 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.219 -3.133 -11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.058 0.362 -12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.080 -1.077 -12.146 1.00 0.00 H new ATOM 1141 N ALA A 71 2.140 2.978 -9.807 1.00 0.00 N ATOM 1142 CA ALA A 71 1.618 3.930 -8.838 1.00 0.00 C ATOM 1143 C ALA A 71 0.172 3.585 -8.520 1.00 0.00 C ATOM 1144 O ALA A 71 -0.262 3.644 -7.368 1.00 0.00 O ATOM 1145 CB ALA A 71 1.727 5.357 -9.359 1.00 0.00 C ATOM 0 H ALA A 71 2.298 3.359 -10.740 1.00 0.00 H new ATOM 0 HA ALA A 71 2.212 3.866 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.330 6.047 -8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.773 5.595 -9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.156 5.452 -10.283 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.566 3.193 -9.552 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.947 2.756 -9.381 1.00 0.00 C ATOM 1153 C ASN A 72 -1.978 1.376 -8.726 1.00 0.00 C ATOM 1154 O ASN A 72 -2.838 1.093 -7.893 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.681 2.731 -10.726 1.00 0.00 C ATOM 1156 CG ASN A 72 -4.162 2.415 -10.586 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.788 2.719 -9.566 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -4.741 1.822 -11.619 1.00 0.00 N ATOM 0 H ASN A 72 -0.232 3.169 -10.515 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.460 3.466 -8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.566 3.698 -11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.216 1.988 -11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.736 1.602 -11.588 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.192 1.586 -12.445 1.00 0.00 H new ATOM 1165 N LYS A 73 -1.023 0.522 -9.100 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.879 -0.787 -8.465 1.00 0.00 C ATOM 1167 C LYS A 73 -0.646 -0.636 -6.968 1.00 0.00 C ATOM 1168 O LYS A 73 -1.193 -1.402 -6.176 1.00 0.00 O ATOM 1169 CB LYS A 73 0.273 -1.591 -9.076 1.00 0.00 C ATOM 1170 CG LYS A 73 -0.075 -2.302 -10.378 1.00 0.00 C ATOM 1171 CD LYS A 73 1.113 -3.105 -10.894 1.00 0.00 C ATOM 1172 CE LYS A 73 0.682 -4.264 -11.783 1.00 0.00 C ATOM 1173 NZ LYS A 73 0.022 -3.815 -13.038 1.00 0.00 N ATOM 0 H LYS A 73 -0.342 0.713 -9.835 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.809 -1.329 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.113 -0.920 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.608 -2.332 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.925 -2.965 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.377 -1.570 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.778 -2.448 -11.454 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.683 -3.490 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.554 -4.868 -12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.002 -4.906 -11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.513 -4.605 -13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.627 -3.030 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.744 -3.495 -13.715 1.00 0.00 H new ATOM 1187 N ALA A 74 0.170 0.346 -6.585 1.00 0.00 N ATOM 1188 CA ALA A 74 0.415 0.626 -5.175 1.00 0.00 C ATOM 1189 C ALA A 74 -0.896 0.905 -4.460 1.00 0.00 C ATOM 1190 O ALA A 74 -1.217 0.257 -3.468 1.00 0.00 O ATOM 1191 CB ALA A 74 1.374 1.797 -5.003 1.00 0.00 C ATOM 0 H ALA A 74 0.670 0.957 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 74 0.880 -0.254 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.537 1.981 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.325 1.561 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.947 2.688 -5.464 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.655 1.859 -4.990 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.971 2.193 -4.454 1.00 0.00 C ATOM 1199 C ARG A 75 -3.863 0.953 -4.370 1.00 0.00 C ATOM 1200 O ARG A 75 -4.470 0.682 -3.335 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.638 3.248 -5.341 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.050 3.613 -4.910 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.729 4.506 -5.936 1.00 0.00 C ATOM 1204 NE ARG A 75 -7.067 4.913 -5.511 1.00 0.00 N ATOM 1205 CZ ARG A 75 -8.049 5.237 -6.353 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.849 5.191 -7.663 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.236 5.600 -5.883 1.00 0.00 N ATOM 0 H ARG A 75 -1.379 2.419 -5.797 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.839 2.589 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.024 4.149 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.665 2.881 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.636 2.705 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.018 4.122 -3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.118 5.392 -6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.796 3.978 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.261 4.951 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.941 4.907 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.603 5.440 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.398 5.631 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.986 5.848 -6.528 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.919 0.207 -5.466 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.780 -0.967 -5.571 1.00 0.00 C ATOM 1223 C ARG A 76 -4.412 -2.023 -4.529 1.00 0.00 C ATOM 1224 O ARG A 76 -5.277 -2.548 -3.828 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.666 -1.555 -6.977 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.757 -2.552 -7.327 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.540 -3.122 -8.717 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.719 -3.821 -9.222 1.00 0.00 N ATOM 1229 CZ ARG A 76 -6.759 -4.454 -10.391 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.661 -4.574 -11.124 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -7.896 -4.985 -10.816 1.00 0.00 N ATOM 0 H ARG A 76 -3.371 0.397 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.808 -0.659 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.688 -0.741 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.697 -2.044 -7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.766 -3.360 -6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.731 -2.065 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.279 -2.315 -9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.694 -3.809 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.560 -3.824 -8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.781 -4.180 -10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.697 -5.060 -12.020 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.739 -4.908 -10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.928 -5.471 -11.712 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.123 -2.325 -4.428 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.646 -3.337 -3.492 1.00 0.00 C ATOM 1247 C ARG A 77 -2.802 -2.864 -2.050 1.00 0.00 C ATOM 1248 O ARG A 77 -3.149 -3.651 -1.173 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.187 -3.687 -3.775 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.954 -4.383 -5.110 1.00 0.00 C ATOM 1251 CD ARG A 77 -1.243 -5.879 -5.049 1.00 0.00 C ATOM 1252 NE ARG A 77 -2.670 -6.195 -4.960 1.00 0.00 N ATOM 1253 CZ ARG A 77 -3.402 -6.613 -5.998 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -2.864 -6.714 -7.205 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -4.666 -6.964 -5.821 1.00 0.00 N ATOM 0 H ARG A 77 -2.389 -1.884 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.254 -4.231 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.595 -2.772 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.818 -4.329 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.587 -3.925 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.079 -4.229 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.828 -6.358 -5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.730 -6.305 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.131 -6.090 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.884 -6.472 -7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.430 -7.034 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.083 -6.916 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.223 -7.283 -6.614 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.550 -1.579 -1.804 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.743 -1.011 -0.473 1.00 0.00 C ATOM 1271 C CYS A 78 -4.215 -1.071 -0.090 1.00 0.00 C ATOM 1272 O CYS A 78 -4.555 -1.375 1.053 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.242 0.434 -0.411 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.463 0.609 -0.673 1.00 0.00 S ATOM 0 H CYS A 78 -2.214 -0.917 -2.504 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.162 -1.601 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.769 1.023 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.498 0.855 0.561 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.188 0.410 -1.928 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.084 -0.791 -1.058 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.512 -0.917 -0.845 1.00 0.00 C ATOM 1282 C GLY A 79 -6.897 -2.321 -0.423 1.00 0.00 C ATOM 1283 O GLY A 79 -7.814 -2.505 0.378 1.00 0.00 O ATOM 0 H GLY A 79 -4.820 -0.477 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.829 -0.208 -0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.041 -0.655 -1.762 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.184 -3.311 -0.952 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.404 -4.698 -0.574 1.00 0.00 C ATOM 1289 C GLU A 80 -5.921 -4.934 0.853 1.00 0.00 C ATOM 1290 O GLU A 80 -6.546 -5.669 1.609 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.679 -5.644 -1.530 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.060 -7.101 -1.335 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.205 -8.041 -2.152 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -4.953 -7.744 -3.335 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.782 -9.086 -1.612 1.00 0.00 O ATOM 0 H GLU A 80 -5.448 -3.175 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.473 -4.902 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.900 -5.352 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.603 -5.535 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.969 -7.358 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.106 -7.238 -1.608 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.808 -4.301 1.214 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.300 -4.366 2.581 1.00 0.00 C ATOM 1304 C VAL A 81 -5.329 -3.786 3.547 1.00 0.00 C ATOM 1305 O VAL A 81 -5.623 -4.376 4.588 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.962 -3.607 2.736 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.451 -3.691 4.169 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.922 -4.151 1.769 1.00 0.00 C ATOM 0 H VAL A 81 -4.241 -3.738 0.580 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.120 -5.416 2.814 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.141 -2.558 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.509 -3.149 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.184 -3.249 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.294 -4.735 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.988 -3.604 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.753 -5.208 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.279 -4.031 0.746 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.889 -2.634 3.182 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.968 -2.028 3.955 1.00 0.00 C ATOM 1320 C PHE A 82 -8.164 -2.972 4.018 1.00 0.00 C ATOM 1321 O PHE A 82 -8.746 -3.181 5.078 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.401 -0.690 3.344 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.403 0.424 3.510 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -6.131 0.948 4.763 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.744 0.951 2.413 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -5.219 1.975 4.917 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.832 1.978 2.560 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.569 2.491 3.815 1.00 0.00 C ATOM 0 H PHE A 82 -5.613 -2.103 2.356 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.596 -1.844 4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.591 -0.835 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.344 -0.386 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.637 0.549 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.945 0.554 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.015 2.373 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.325 2.379 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.856 3.294 3.933 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.512 -3.544 2.871 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.616 -4.495 2.774 1.00 0.00 C ATOM 1340 C ARG A 83 -9.369 -5.707 3.671 1.00 0.00 C ATOM 1341 O ARG A 83 -10.261 -6.149 4.392 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.788 -4.937 1.319 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.897 -5.952 1.098 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.018 -6.307 -0.375 1.00 0.00 C ATOM 1345 NE ARG A 83 -12.057 -7.305 -0.630 1.00 0.00 N ATOM 1346 CZ ARG A 83 -12.996 -7.179 -1.569 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -13.071 -6.068 -2.297 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -13.868 -8.158 -1.769 1.00 0.00 N ATOM 0 H ARG A 83 -8.040 -3.364 1.985 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.530 -4.006 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.989 -4.058 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.848 -5.362 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.693 -6.852 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.843 -5.548 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.238 -5.405 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.061 -6.685 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.064 -8.148 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.409 -5.309 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.791 -5.976 -3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.820 -9.007 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.586 -8.062 -2.487 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.148 -6.227 3.622 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.745 -7.357 4.452 1.00 0.00 C ATOM 1364 C TYR A 84 -7.913 -7.004 5.923 1.00 0.00 C ATOM 1365 O TYR A 84 -8.342 -7.828 6.731 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.284 -7.720 4.158 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.865 -9.097 4.633 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.335 -9.296 5.906 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.982 -10.198 3.794 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -4.940 -10.554 6.323 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -5.587 -11.456 4.205 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.068 -11.629 5.469 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.665 -12.882 5.875 1.00 0.00 O ATOM 0 H TYR A 84 -7.411 -5.879 3.008 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.376 -8.216 4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.117 -7.655 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.638 -6.977 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.231 -8.456 6.577 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.389 -10.068 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.533 -10.694 7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.685 -12.300 3.538 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.825 -13.527 5.154 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.587 -5.763 6.259 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.729 -5.273 7.619 1.00 0.00 C ATOM 1385 C ALA A 85 -9.200 -5.132 7.999 1.00 0.00 C ATOM 1386 O ALA A 85 -9.569 -5.345 9.148 1.00 0.00 O ATOM 1387 CB ALA A 85 -7.006 -3.950 7.787 1.00 0.00 C ATOM 0 H ALA A 85 -7.220 -5.075 5.602 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.276 -6.003 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.124 -3.599 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.947 -4.084 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.428 -3.215 7.101 1.00 0.00 H new ATOM 1393 N ILE A 86 -10.036 -4.768 7.037 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.476 -4.693 7.267 1.00 0.00 C ATOM 1395 C ILE A 86 -12.038 -6.092 7.522 1.00 0.00 C ATOM 1396 O ILE A 86 -12.833 -6.298 8.440 1.00 0.00 O ATOM 1397 CB ILE A 86 -12.214 -4.045 6.073 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.703 -2.619 5.846 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.719 -4.038 6.312 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.304 -1.937 4.635 1.00 0.00 C ATOM 0 H ILE A 86 -9.745 -4.520 6.091 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.638 -4.065 8.143 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.012 -4.636 5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.918 -2.021 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.619 -2.645 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.220 -3.578 5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.073 -5.062 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.941 -3.469 7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.893 -0.932 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.067 -2.511 3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.386 -1.877 4.751 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.593 -7.049 6.713 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.996 -8.445 6.864 1.00 0.00 C ATOM 1414 C VAL A 87 -11.552 -8.990 8.217 1.00 0.00 C ATOM 1415 O VAL A 87 -12.344 -9.586 8.948 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.405 -9.326 5.741 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.799 -10.784 5.924 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.850 -8.822 4.379 1.00 0.00 C ATOM 0 H VAL A 87 -10.948 -6.882 5.940 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.084 -8.477 6.799 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.318 -9.261 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.369 -11.381 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.425 -11.144 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.885 -10.873 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.424 -9.455 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.938 -8.853 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.508 -7.796 4.241 1.00 0.00 H new ATOM 1428 N THR A 88 -10.287 -8.768 8.551 1.00 0.00 N ATOM 1429 CA THR A 88 -9.738 -9.229 9.818 1.00 0.00 C ATOM 1430 C THR A 88 -10.330 -8.449 10.992 1.00 0.00 C ATOM 1431 O THR A 88 -10.305 -8.909 12.132 1.00 0.00 O ATOM 1432 CB THR A 88 -8.199 -9.118 9.834 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.795 -7.828 9.360 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.566 -10.200 8.972 1.00 0.00 C ATOM 0 H THR A 88 -9.621 -8.270 7.960 1.00 0.00 H new ATOM 0 HA THR A 88 -10.010 -10.279 9.926 1.00 0.00 H new ATOM 0 HB THR A 88 -7.860 -9.251 10.861 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.787 -7.827 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.481 -10.099 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.850 -11.181 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.913 -10.096 7.944 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.872 -7.271 10.705 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.524 -6.479 11.732 1.00 0.00 C ATOM 1444 C GLY A 89 -10.573 -5.544 12.454 1.00 0.00 C ATOM 1445 O GLY A 89 -10.801 -5.189 13.607 1.00 0.00 O ATOM 0 H GLY A 89 -10.872 -6.849 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.325 -5.895 11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.989 -7.147 12.458 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.510 -5.143 11.778 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.531 -4.232 12.361 1.00 0.00 C ATOM 1451 C ARG A 90 -8.787 -2.802 11.900 1.00 0.00 C ATOM 1452 O ARG A 90 -8.488 -1.842 12.611 1.00 0.00 O ATOM 1453 CB ARG A 90 -7.114 -4.654 11.977 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.757 -6.062 12.421 1.00 0.00 C ATOM 1455 CD ARG A 90 -5.359 -6.440 11.972 1.00 0.00 C ATOM 1456 NE ARG A 90 -5.045 -7.834 12.275 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.480 -8.674 11.409 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -4.168 -8.266 10.187 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -4.227 -9.926 11.757 1.00 0.00 N ATOM 0 H ARG A 90 -9.300 -5.433 10.823 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.632 -4.275 13.445 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.004 -4.585 10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.404 -3.953 12.415 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.825 -6.132 13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.478 -6.769 12.010 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.265 -6.272 10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.633 -5.790 12.461 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.272 -8.185 13.205 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.360 -7.305 9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.736 -8.913 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.465 -10.253 12.693 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.794 -10.564 11.089 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.352 -2.661 10.714 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.651 -1.348 10.167 1.00 0.00 C ATOM 1475 C ALA A 91 -11.141 -1.210 9.903 1.00 0.00 C ATOM 1476 O ALA A 91 -11.704 -1.929 9.080 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.855 -1.099 8.895 1.00 0.00 C ATOM 0 H ALA A 91 -9.614 -3.440 10.110 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.360 -0.597 10.901 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.095 -0.110 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.789 -1.153 9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.110 -1.855 8.152 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.776 -0.295 10.618 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.206 -0.065 10.468 1.00 0.00 C ATOM 1485 C LYS A 92 -13.461 0.874 9.294 1.00 0.00 C ATOM 1486 O LYS A 92 -14.550 0.899 8.722 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.772 0.531 11.759 1.00 0.00 C ATOM 1488 CG LYS A 92 -15.276 0.381 11.899 1.00 0.00 C ATOM 1489 CD LYS A 92 -15.774 1.032 13.179 1.00 0.00 C ATOM 1490 CE LYS A 92 -17.231 0.698 13.454 1.00 0.00 C ATOM 1491 NZ LYS A 92 -18.126 1.108 12.341 1.00 0.00 N ATOM 0 H LYS A 92 -11.323 0.302 11.310 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.704 -1.014 10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.288 0.053 12.611 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.517 1.590 11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.771 0.834 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.541 -0.676 11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.161 0.701 14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.657 2.113 13.106 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.330 -0.375 13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.547 1.193 14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.117 0.969 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.967 2.112 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.921 0.531 11.500 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.436 1.635 8.940 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.508 2.572 7.833 1.00 0.00 C ATOM 1507 C TYR A 93 -11.147 2.670 7.159 1.00 0.00 C ATOM 1508 O TYR A 93 -10.114 2.618 7.828 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.959 3.954 8.327 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.999 5.013 7.245 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -14.013 5.026 6.296 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -12.021 5.999 7.172 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -14.055 5.990 5.308 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -12.057 6.969 6.188 1.00 0.00 C ATOM 1515 CZ TYR A 93 -13.076 6.960 5.258 1.00 0.00 C ATOM 1516 OH TYR A 93 -13.122 7.927 4.277 1.00 0.00 O ATOM 0 H TYR A 93 -11.532 1.619 9.413 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.241 2.212 7.110 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.951 3.864 8.770 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.285 4.283 9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.782 4.269 6.331 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.220 6.007 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.851 5.984 4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.292 7.730 6.147 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.251 8.372 4.215 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.150 2.789 5.842 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.918 2.932 5.088 1.00 0.00 C ATOM 1528 C ASN A 94 -9.925 4.245 4.313 1.00 0.00 C ATOM 1529 O ASN A 94 -10.905 4.582 3.653 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.717 1.741 4.135 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.835 1.572 3.114 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.985 1.930 3.356 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.503 1.003 1.964 1.00 0.00 N ATOM 0 H ASN A 94 -11.996 2.789 5.272 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.084 2.945 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.772 1.866 3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.634 0.827 4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.212 0.850 1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.538 0.718 1.796 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.827 5.011 4.390 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.710 6.305 3.707 1.00 0.00 C ATOM 1542 C PRO A 95 -8.447 6.162 2.205 1.00 0.00 C ATOM 1543 O PRO A 95 -7.772 6.992 1.601 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.512 6.956 4.402 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.671 5.817 4.859 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.616 4.684 5.166 1.00 0.00 C ATOM 0 HA PRO A 95 -9.631 6.884 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.963 7.604 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.830 7.574 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.957 5.528 4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.094 6.091 5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.198 3.723 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.830 4.621 6.233 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.006 5.118 1.606 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.842 4.867 0.178 1.00 0.00 C ATOM 1556 C ALA A 96 -9.542 5.938 -0.674 1.00 0.00 C ATOM 1557 O ALA A 96 -8.947 6.455 -1.623 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.336 3.472 -0.182 1.00 0.00 C ATOM 0 H ALA A 96 -9.580 4.427 2.089 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.777 4.923 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.205 3.304 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.765 2.729 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.392 3.383 0.073 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.815 6.293 -0.372 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.501 7.388 -1.070 1.00 0.00 C ATOM 1566 C PRO A 97 -10.825 8.735 -0.817 1.00 0.00 C ATOM 1567 O PRO A 97 -10.794 9.601 -1.691 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.916 7.374 -0.481 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.788 6.660 0.819 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.696 5.652 0.627 1.00 0.00 C ATOM 0 HA PRO A 97 -11.487 7.254 -2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.294 8.386 -0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.614 6.863 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.543 7.354 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.725 6.174 1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.167 5.449 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.086 4.700 0.268 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.271 8.892 0.378 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.562 10.113 0.751 1.00 0.00 C ATOM 1580 C ASP A 98 -8.271 10.227 -0.045 1.00 0.00 C ATOM 1581 O ASP A 98 -7.882 11.315 -0.478 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.258 10.111 2.250 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.493 9.854 3.088 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.799 8.674 3.351 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -11.174 10.830 3.471 1.00 0.00 O ATOM 0 H ASP A 98 -10.299 8.184 1.112 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.195 10.971 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.510 9.348 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.824 11.070 2.531 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.614 9.086 -0.230 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.445 8.988 -1.093 1.00 0.00 C ATOM 1592 C LEU A 99 -6.812 9.434 -2.503 1.00 0.00 C ATOM 1593 O LEU A 99 -6.073 10.181 -3.146 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.922 7.537 -1.087 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.671 7.240 -1.930 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.025 7.014 -3.392 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.666 8.366 -1.804 1.00 0.00 C ATOM 0 H LEU A 99 -7.877 8.206 0.214 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.654 9.640 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.708 7.259 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.725 6.886 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.225 6.322 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.117 6.807 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.706 6.167 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.506 7.906 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.787 8.138 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.115 9.296 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.371 8.475 -0.760 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.964 8.974 -2.971 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.451 9.343 -4.289 1.00 0.00 C ATOM 1611 C ALA A 100 -8.613 10.853 -4.400 1.00 0.00 C ATOM 1612 O ALA A 100 -8.210 11.453 -5.391 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.769 8.644 -4.586 1.00 0.00 C ATOM 0 H ALA A 100 -8.578 8.344 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.715 9.022 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.119 8.932 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.624 7.564 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.510 8.934 -3.841 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.189 11.461 -3.369 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.402 12.906 -3.345 1.00 0.00 C ATOM 1621 C ASP A 101 -8.085 13.671 -3.350 1.00 0.00 C ATOM 1622 O ASP A 101 -7.993 14.759 -3.923 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.241 13.307 -2.134 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.718 13.336 -2.458 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -12.290 12.268 -2.757 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -12.307 14.436 -2.445 1.00 0.00 O ATOM 0 H ASP A 101 -9.518 10.975 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.944 13.169 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.061 12.606 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.927 14.290 -1.783 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.068 13.102 -2.722 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.744 13.709 -2.725 1.00 0.00 C ATOM 1633 C ALA A 102 -5.131 13.634 -4.120 1.00 0.00 C ATOM 1634 O ALA A 102 -4.359 14.498 -4.523 1.00 0.00 O ATOM 1635 CB ALA A 102 -4.842 13.029 -1.706 1.00 0.00 C ATOM 0 H ALA A 102 -7.132 12.225 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.842 14.758 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.857 13.496 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.275 13.131 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.746 11.972 -1.953 1.00 0.00 H new ATOM 1641 N MET A 103 -5.498 12.594 -4.853 1.00 0.00 N ATOM 1642 CA MET A 103 -5.038 12.414 -6.223 1.00 0.00 C ATOM 1643 C MET A 103 -5.826 13.320 -7.174 1.00 0.00 C ATOM 1644 O MET A 103 -5.357 13.654 -8.259 1.00 0.00 O ATOM 1645 CB MET A 103 -5.190 10.946 -6.633 1.00 0.00 C ATOM 1646 CG MET A 103 -4.553 10.608 -7.973 1.00 0.00 C ATOM 1647 SD MET A 103 -4.799 8.885 -8.448 1.00 0.00 S ATOM 1648 CE MET A 103 -3.891 8.046 -7.152 1.00 0.00 C ATOM 0 H MET A 103 -6.118 11.856 -4.519 1.00 0.00 H new ATOM 0 HA MET A 103 -3.985 12.690 -6.282 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.746 10.316 -5.862 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.251 10.699 -6.674 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.972 11.256 -8.743 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.485 10.818 -7.926 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.446 7.135 -7.551 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.104 8.700 -6.777 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.570 7.792 -6.338 1.00 0.00 H new ATOM 1658 N LYS A 104 -7.024 13.712 -6.755 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.856 14.619 -7.541 1.00 0.00 C ATOM 1660 C LYS A 104 -7.365 16.052 -7.390 1.00 0.00 C ATOM 1661 O LYS A 104 -7.191 16.775 -8.370 1.00 0.00 O ATOM 1662 CB LYS A 104 -9.318 14.539 -7.089 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.923 13.149 -7.180 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.208 13.061 -6.373 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.696 11.626 -6.244 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.816 11.509 -5.271 1.00 0.00 N ATOM 0 H LYS A 104 -7.443 13.416 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.787 14.318 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.387 14.886 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.912 15.222 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.127 12.905 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.208 12.412 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.043 13.480 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.979 13.666 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.022 11.264 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.871 10.988 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.276 10.583 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.446 11.600 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.510 12.263 -5.448 1.00 0.00 H new