USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 866 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 13 THR OG1 : rot 19:sc= 0.396 USER MOD Set 1.2: A 16 THR OG1 : rot 103:sc= 0.676 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 CYS SG : rot 100:sc= -0.608 USER MOD Single : A 12 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.5!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 20 GLN : amide:sc= -3.56! C(o=-3.6!,f=-6.8!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= 0.716 (180deg=0.147) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 27 SER OG : rot -17:sc= 1.05 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 160:sc= -2.41! USER MOD Single : A 38 SER OG : rot 81:sc= 1.33 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.12) USER MOD Single : A 59 ASN : amide:sc= -0.633 K(o=-0.63,f=-0.11) USER MOD Single : A 64 LYS NZ :NH3+ 150:sc= 0.909 (180deg=-1.34!) USER MOD Single : A 67 THR OG1 : rot 120:sc= -0.19 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 75:sc= 0.21 USER MOD Single : A 80 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.7) USER MOD Single : A 82 MET CE :methyl 141:sc= -0.178 (180deg=-0.64) USER MOD Single : A 84 THR OG1 : rot 70:sc= -0.43 USER MOD Single : A 86 MET CE :methyl -163:sc= -0.907 (180deg=-1.26) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 157:sc= 1.2 (180deg=1.18) USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 1.54 (180deg=1.41) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 0.951 (180deg=0.946) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.803 K(o=0.8,f=-0.63) USER MOD Single : A 107 SER OG : rot 74:sc= 1.25 USER MOD Single : A 108 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.712) USER MOD Single : A 112 HIS : no HD1:sc= -2 K(o=-2,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.389 -0.271 -12.230 1.00 0.00 N ATOM 70 CA GLY A 6 -3.448 -1.378 -12.254 1.00 0.00 C ATOM 71 C GLY A 6 -2.042 -0.939 -11.952 1.00 0.00 C ATOM 72 O GLY A 6 -1.142 -1.764 -11.828 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.756 -2.129 -11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.475 -1.854 -13.234 1.00 0.00 H new ATOM 76 N GLN A 7 -1.863 0.357 -11.822 1.00 0.00 N ATOM 77 CA GLN A 7 -0.584 0.912 -11.554 1.00 0.00 C ATOM 78 C GLN A 7 -0.389 1.256 -10.134 1.00 0.00 C ATOM 79 O GLN A 7 -1.220 1.920 -9.491 1.00 0.00 O ATOM 80 CB GLN A 7 -0.246 2.073 -12.459 1.00 0.00 C ATOM 81 CG GLN A 7 -1.370 3.083 -12.651 1.00 0.00 C ATOM 82 CD GLN A 7 -0.958 4.249 -13.518 1.00 0.00 C ATOM 83 OE1 GLN A 7 -1.081 4.201 -14.740 1.00 0.00 O ATOM 84 NE2 GLN A 7 -0.496 5.302 -12.903 1.00 0.00 N ATOM 0 H GLN A 7 -2.612 1.045 -11.902 1.00 0.00 H new ATOM 0 HA GLN A 7 0.125 0.116 -11.782 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.623 2.591 -12.053 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.043 1.682 -13.435 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.229 2.585 -13.101 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.691 3.454 -11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.409 5.302 -11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -0.221 6.126 -13.438 1.00 0.00 H new ATOM 93 N VAL A 8 0.679 0.770 -9.652 1.00 0.00 N ATOM 94 CA VAL A 8 1.119 0.978 -8.316 1.00 0.00 C ATOM 95 C VAL A 8 2.463 1.690 -8.396 1.00 0.00 C ATOM 96 O VAL A 8 3.268 1.369 -9.273 1.00 0.00 O ATOM 97 CB VAL A 8 1.289 -0.375 -7.583 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.620 -0.158 -6.139 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.046 -1.245 -7.715 1.00 0.00 C ATOM 0 H VAL A 8 1.312 0.184 -10.197 1.00 0.00 H new ATOM 0 HA VAL A 8 0.389 1.569 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 8 2.117 -0.901 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.735 -1.122 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.550 0.404 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.816 0.402 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.203 -2.186 -7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.809 -0.725 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.146 -1.447 -8.769 1.00 0.00 H new ATOM 109 N ILE A 9 2.714 2.639 -7.531 1.00 0.00 N ATOM 110 CA ILE A 9 3.971 3.342 -7.568 1.00 0.00 C ATOM 111 C ILE A 9 4.985 2.647 -6.675 1.00 0.00 C ATOM 112 O ILE A 9 4.814 2.589 -5.465 1.00 0.00 O ATOM 113 CB ILE A 9 3.815 4.815 -7.137 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.822 5.537 -8.063 1.00 0.00 C ATOM 115 CG2 ILE A 9 5.171 5.531 -7.129 1.00 0.00 C ATOM 116 CD1 ILE A 9 3.214 5.550 -9.536 1.00 0.00 C ATOM 0 H ILE A 9 2.071 2.941 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 9 4.325 3.331 -8.599 1.00 0.00 H new ATOM 0 HB ILE A 9 3.421 4.836 -6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.846 5.063 -7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.712 6.566 -7.722 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.033 6.568 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.842 5.032 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.603 5.503 -8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.454 6.081 -10.110 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.174 6.053 -9.653 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.294 4.526 -9.900 1.00 0.00 H new ATOM 128 N ALA A 10 6.007 2.100 -7.262 1.00 0.00 N ATOM 129 CA ALA A 10 7.029 1.448 -6.498 1.00 0.00 C ATOM 130 C ALA A 10 8.173 2.403 -6.277 1.00 0.00 C ATOM 131 O ALA A 10 8.913 2.723 -7.205 1.00 0.00 O ATOM 132 CB ALA A 10 7.508 0.189 -7.211 1.00 0.00 C ATOM 0 H ALA A 10 6.156 2.092 -8.271 1.00 0.00 H new ATOM 0 HA ALA A 10 6.621 1.151 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.284 -0.293 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.671 -0.497 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.912 0.455 -8.188 1.00 0.00 H new ATOM 138 N CYS A 11 8.313 2.871 -5.073 1.00 0.00 N ATOM 139 CA CYS A 11 9.345 3.782 -4.754 1.00 0.00 C ATOM 140 C CYS A 11 10.514 3.100 -4.119 1.00 0.00 C ATOM 141 O CYS A 11 10.364 2.253 -3.235 1.00 0.00 O ATOM 142 CB CYS A 11 8.828 4.903 -3.872 1.00 0.00 C ATOM 143 SG CYS A 11 7.822 4.360 -2.478 1.00 0.00 S ATOM 0 H CYS A 11 7.708 2.625 -4.290 1.00 0.00 H new ATOM 0 HA CYS A 11 9.692 4.217 -5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.678 5.469 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.239 5.586 -4.484 1.00 0.00 H new ATOM 0 HG CYS A 11 8.546 4.349 -1.399 1.00 0.00 H new ATOM 149 N HIS A 12 11.672 3.449 -4.586 1.00 0.00 N ATOM 150 CA HIS A 12 12.904 2.956 -4.051 1.00 0.00 C ATOM 151 C HIS A 12 13.613 4.095 -3.353 1.00 0.00 C ATOM 152 O HIS A 12 14.689 3.918 -2.780 1.00 0.00 O ATOM 153 CB HIS A 12 13.798 2.372 -5.160 1.00 0.00 C ATOM 154 CG HIS A 12 13.183 1.222 -5.909 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.437 -0.096 -5.613 1.00 0.00 N ATOM 156 CD2 HIS A 12 12.321 1.208 -6.953 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.762 -0.867 -6.436 1.00 0.00 C ATOM 158 NE2 HIS A 12 12.077 -0.101 -7.257 1.00 0.00 N ATOM 0 H HIS A 12 11.790 4.097 -5.365 1.00 0.00 H new ATOM 0 HA HIS A 12 12.693 2.153 -3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.041 3.163 -5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.737 2.041 -4.717 1.00 0.00 H new ATOM 0 HD1 HIS A 12 14.054 -0.425 -4.870 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.904 2.070 -7.452 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.769 -1.947 -6.438 1.00 0.00 H new ATOM 167 N THR A 13 13.002 5.276 -3.390 1.00 0.00 N ATOM 168 CA THR A 13 13.586 6.443 -2.779 1.00 0.00 C ATOM 169 C THR A 13 12.593 7.099 -1.838 1.00 0.00 C ATOM 170 O THR A 13 11.374 7.057 -2.079 1.00 0.00 O ATOM 171 CB THR A 13 14.072 7.460 -3.840 1.00 0.00 C ATOM 172 OG1 THR A 13 13.004 7.793 -4.730 1.00 0.00 O ATOM 173 CG2 THR A 13 15.240 6.909 -4.635 1.00 0.00 C ATOM 0 H THR A 13 12.101 5.440 -3.840 1.00 0.00 H new ATOM 0 HA THR A 13 14.456 6.117 -2.209 1.00 0.00 H new ATOM 0 HB THR A 13 14.403 8.356 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.148 7.557 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.559 7.646 -5.372 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.068 6.689 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.934 5.995 -5.145 1.00 0.00 H new ATOM 181 N VAL A 14 13.102 7.704 -0.776 1.00 0.00 N ATOM 182 CA VAL A 14 12.252 8.318 0.235 1.00 0.00 C ATOM 183 C VAL A 14 11.613 9.611 -0.285 1.00 0.00 C ATOM 184 O VAL A 14 10.516 9.981 0.129 1.00 0.00 O ATOM 185 CB VAL A 14 13.021 8.572 1.578 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.181 9.546 1.408 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.082 9.026 2.693 1.00 0.00 C ATOM 0 H VAL A 14 14.102 7.784 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 14 11.453 7.608 0.450 1.00 0.00 H new ATOM 0 HB VAL A 14 13.447 7.613 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.680 9.688 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.891 9.144 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.803 10.504 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.654 9.191 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.591 9.954 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.330 8.258 2.870 1.00 0.00 H new ATOM 197 N GLU A 15 12.285 10.270 -1.217 1.00 0.00 N ATOM 198 CA GLU A 15 11.783 11.509 -1.769 1.00 0.00 C ATOM 199 C GLU A 15 10.512 11.230 -2.571 1.00 0.00 C ATOM 200 O GLU A 15 9.503 11.912 -2.407 1.00 0.00 O ATOM 201 CB GLU A 15 12.835 12.166 -2.651 1.00 0.00 C ATOM 202 CG GLU A 15 12.526 13.611 -3.004 1.00 0.00 C ATOM 203 CD GLU A 15 12.491 14.494 -1.771 1.00 0.00 C ATOM 204 OE1 GLU A 15 13.558 14.971 -1.346 1.00 0.00 O ATOM 205 OE2 GLU A 15 11.400 14.714 -1.204 1.00 0.00 O ATOM 0 H GLU A 15 13.178 9.964 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 15 11.550 12.194 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.799 12.124 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.935 11.591 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.278 13.985 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.565 13.663 -3.516 1.00 0.00 H new ATOM 212 N THR A 16 10.568 10.205 -3.422 1.00 0.00 N ATOM 213 CA THR A 16 9.414 9.786 -4.202 1.00 0.00 C ATOM 214 C THR A 16 8.302 9.300 -3.264 1.00 0.00 C ATOM 215 O THR A 16 7.126 9.615 -3.461 1.00 0.00 O ATOM 216 CB THR A 16 9.808 8.671 -5.193 1.00 0.00 C ATOM 217 OG1 THR A 16 10.844 9.168 -6.057 1.00 0.00 O ATOM 218 CG2 THR A 16 8.616 8.228 -6.039 1.00 0.00 C ATOM 0 H THR A 16 11.408 9.650 -3.586 1.00 0.00 H new ATOM 0 HA THR A 16 9.047 10.638 -4.775 1.00 0.00 H new ATOM 0 HB THR A 16 10.157 7.809 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.709 8.808 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.929 7.442 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.829 7.848 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.238 9.077 -6.608 1.00 0.00 H new ATOM 226 N TRP A 17 8.702 8.551 -2.241 1.00 0.00 N ATOM 227 CA TRP A 17 7.800 8.080 -1.197 1.00 0.00 C ATOM 228 C TRP A 17 7.012 9.244 -0.578 1.00 0.00 C ATOM 229 O TRP A 17 5.776 9.246 -0.580 1.00 0.00 O ATOM 230 CB TRP A 17 8.635 7.343 -0.129 1.00 0.00 C ATOM 231 CG TRP A 17 7.950 7.098 1.182 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.326 7.607 2.390 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.777 6.326 1.419 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.473 7.183 3.366 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.507 6.397 2.798 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.932 5.579 0.611 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.433 5.750 3.373 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.860 4.941 1.190 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.621 5.033 2.559 1.00 0.00 C ATOM 0 H TRP A 17 9.669 8.252 -2.113 1.00 0.00 H new ATOM 0 HA TRP A 17 7.067 7.397 -1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.948 6.383 -0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.541 7.920 0.058 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.177 8.253 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.543 7.414 4.357 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.112 5.500 -0.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.246 5.813 4.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.192 4.359 0.573 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.769 4.521 2.981 1.00 0.00 H new ATOM 250 N ASN A 18 7.731 10.235 -0.100 1.00 0.00 N ATOM 251 CA ASN A 18 7.127 11.394 0.538 1.00 0.00 C ATOM 252 C ASN A 18 6.297 12.193 -0.460 1.00 0.00 C ATOM 253 O ASN A 18 5.213 12.659 -0.144 1.00 0.00 O ATOM 254 CB ASN A 18 8.214 12.279 1.138 1.00 0.00 C ATOM 255 CG ASN A 18 7.665 13.478 1.889 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.571 13.435 2.454 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.423 14.545 1.917 1.00 0.00 N ATOM 0 H ASN A 18 8.750 10.265 -0.140 1.00 0.00 H new ATOM 0 HA ASN A 18 6.466 11.045 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.825 11.683 1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.870 12.628 0.341 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.113 15.377 2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.323 14.544 1.437 1.00 0.00 H new ATOM 264 N GLU A 19 6.809 12.316 -1.664 1.00 0.00 N ATOM 265 CA GLU A 19 6.149 13.062 -2.733 1.00 0.00 C ATOM 266 C GLU A 19 4.782 12.468 -3.105 1.00 0.00 C ATOM 267 O GLU A 19 3.820 13.205 -3.342 1.00 0.00 O ATOM 268 CB GLU A 19 7.058 13.144 -3.950 1.00 0.00 C ATOM 269 CG GLU A 19 6.482 13.900 -5.119 1.00 0.00 C ATOM 270 CD GLU A 19 7.479 14.066 -6.215 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.699 13.122 -6.987 1.00 0.00 O ATOM 272 OE2 GLU A 19 8.075 15.147 -6.311 1.00 0.00 O ATOM 0 H GLU A 19 7.700 11.902 -1.939 1.00 0.00 H new ATOM 0 HA GLU A 19 5.959 14.069 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.995 13.617 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.300 12.132 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.608 13.371 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.141 14.880 -4.786 1.00 0.00 H new ATOM 279 N GLN A 20 4.688 11.155 -3.147 1.00 0.00 N ATOM 280 CA GLN A 20 3.460 10.518 -3.458 1.00 0.00 C ATOM 281 C GLN A 20 2.454 10.661 -2.337 1.00 0.00 C ATOM 282 O GLN A 20 1.258 10.811 -2.580 1.00 0.00 O ATOM 283 CB GLN A 20 3.703 9.095 -3.824 1.00 0.00 C ATOM 284 CG GLN A 20 4.418 8.899 -5.165 1.00 0.00 C ATOM 285 CD GLN A 20 3.626 9.425 -6.379 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.850 10.369 -6.289 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.850 8.835 -7.525 1.00 0.00 N ATOM 0 H GLN A 20 5.464 10.518 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 20 3.020 11.016 -4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.296 8.627 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.747 8.573 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.384 9.403 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.618 7.837 -5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.500 8.051 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.374 9.159 -8.367 1.00 0.00 H new ATOM 296 N LEU A 21 2.941 10.636 -1.109 1.00 0.00 N ATOM 297 CA LEU A 21 2.135 10.870 0.031 1.00 0.00 C ATOM 298 C LEU A 21 1.639 12.300 0.019 1.00 0.00 C ATOM 299 O LEU A 21 0.489 12.573 0.361 1.00 0.00 O ATOM 300 CB LEU A 21 2.947 10.623 1.255 1.00 0.00 C ATOM 301 CG LEU A 21 3.412 9.190 1.527 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.215 9.141 2.810 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.226 8.231 1.601 1.00 0.00 C ATOM 0 H LEU A 21 3.920 10.449 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 21 1.276 10.200 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.832 11.258 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.366 10.955 2.115 1.00 0.00 H new ATOM 0 HG LEU A 21 4.046 8.872 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.542 8.118 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.086 9.789 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.596 9.480 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.586 7.221 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.559 8.539 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.685 8.248 0.655 1.00 0.00 H new ATOM 315 N GLN A 22 2.523 13.201 -0.375 1.00 0.00 N ATOM 316 CA GLN A 22 2.204 14.603 -0.557 1.00 0.00 C ATOM 317 C GLN A 22 1.039 14.738 -1.526 1.00 0.00 C ATOM 318 O GLN A 22 0.100 15.471 -1.270 1.00 0.00 O ATOM 319 CB GLN A 22 3.420 15.352 -1.096 1.00 0.00 C ATOM 320 CG GLN A 22 3.199 16.831 -1.344 1.00 0.00 C ATOM 321 CD GLN A 22 4.413 17.484 -1.957 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.547 17.546 -3.178 1.00 0.00 O ATOM 323 NE2 GLN A 22 5.302 17.961 -1.133 1.00 0.00 N ATOM 0 H GLN A 22 3.496 12.974 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 22 1.925 15.034 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.243 15.236 -0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.732 14.884 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.342 16.965 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.957 17.325 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.154 17.890 -0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.146 18.405 -1.495 1.00 0.00 H new ATOM 332 N LYS A 23 1.104 14.012 -2.628 1.00 0.00 N ATOM 333 CA LYS A 23 0.023 13.998 -3.600 1.00 0.00 C ATOM 334 C LYS A 23 -1.259 13.402 -3.046 1.00 0.00 C ATOM 335 O LYS A 23 -2.350 13.918 -3.316 1.00 0.00 O ATOM 336 CB LYS A 23 0.444 13.354 -4.923 1.00 0.00 C ATOM 337 CG LYS A 23 1.364 14.235 -5.754 1.00 0.00 C ATOM 338 CD LYS A 23 0.617 15.492 -6.173 1.00 0.00 C ATOM 339 CE LYS A 23 1.456 16.441 -6.987 1.00 0.00 C ATOM 340 NZ LYS A 23 0.668 17.641 -7.357 1.00 0.00 N ATOM 0 H LYS A 23 1.898 13.421 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.203 15.041 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.947 12.409 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.447 13.120 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.250 14.500 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.708 13.692 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.262 15.208 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.259 16.008 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.337 16.738 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.813 15.941 -7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.276 18.483 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.301 17.531 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.127 17.752 -6.696 1.00 0.00 H new ATOM 354 N ALA A 24 -1.139 12.345 -2.259 1.00 0.00 N ATOM 355 CA ALA A 24 -2.305 11.746 -1.630 1.00 0.00 C ATOM 356 C ALA A 24 -2.951 12.750 -0.677 1.00 0.00 C ATOM 357 O ALA A 24 -4.167 12.869 -0.613 1.00 0.00 O ATOM 358 CB ALA A 24 -1.921 10.473 -0.892 1.00 0.00 C ATOM 0 H ALA A 24 -0.254 11.887 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.026 11.481 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.807 10.040 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.494 9.759 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.186 10.707 -0.122 1.00 0.00 H new ATOM 364 N ASN A 25 -2.112 13.484 0.022 1.00 0.00 N ATOM 365 CA ASN A 25 -2.538 14.509 0.976 1.00 0.00 C ATOM 366 C ASN A 25 -3.186 15.670 0.257 1.00 0.00 C ATOM 367 O ASN A 25 -4.330 16.039 0.533 1.00 0.00 O ATOM 368 CB ASN A 25 -1.297 15.048 1.680 1.00 0.00 C ATOM 369 CG ASN A 25 -1.602 16.112 2.725 1.00 0.00 C ATOM 370 OD1 ASN A 25 -2.661 16.108 3.353 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.678 17.020 2.916 1.00 0.00 N ATOM 0 H ASN A 25 -1.099 13.391 -0.051 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.248 14.067 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.773 14.221 2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.620 15.466 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.823 17.758 3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.187 16.989 2.376 1.00 0.00 H new ATOM 378 N GLU A 26 -2.444 16.203 -0.682 1.00 0.00 N ATOM 379 CA GLU A 26 -2.835 17.380 -1.458 1.00 0.00 C ATOM 380 C GLU A 26 -4.121 17.165 -2.230 1.00 0.00 C ATOM 381 O GLU A 26 -5.013 18.009 -2.204 1.00 0.00 O ATOM 382 CB GLU A 26 -1.632 17.831 -2.360 1.00 0.00 C ATOM 383 CG GLU A 26 -1.867 18.978 -3.367 1.00 0.00 C ATOM 384 CD GLU A 26 -2.454 18.529 -4.706 1.00 0.00 C ATOM 385 OE1 GLU A 26 -3.689 18.452 -4.848 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.670 18.261 -5.650 1.00 0.00 O ATOM 0 H GLU A 26 -1.530 15.832 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.064 18.196 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.815 18.127 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.291 16.960 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.538 19.710 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.920 19.485 -3.550 1.00 0.00 H new ATOM 393 N SER A 27 -4.257 16.036 -2.862 1.00 0.00 N ATOM 394 CA SER A 27 -5.426 15.782 -3.639 1.00 0.00 C ATOM 395 C SER A 27 -6.501 15.043 -2.835 1.00 0.00 C ATOM 396 O SER A 27 -7.564 14.688 -3.374 1.00 0.00 O ATOM 397 CB SER A 27 -5.034 15.038 -4.888 1.00 0.00 C ATOM 398 OG SER A 27 -4.114 15.820 -5.650 1.00 0.00 O ATOM 0 H SER A 27 -3.572 15.280 -2.852 1.00 0.00 H new ATOM 0 HA SER A 27 -5.876 16.733 -3.925 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.582 14.082 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.920 14.819 -5.484 1.00 0.00 H new ATOM 0 HG SER A 27 -4.150 16.752 -5.350 1.00 0.00 H new ATOM 404 N LYS A 28 -6.221 14.823 -1.536 1.00 0.00 N ATOM 405 CA LYS A 28 -7.153 14.169 -0.594 1.00 0.00 C ATOM 406 C LYS A 28 -7.556 12.778 -1.073 1.00 0.00 C ATOM 407 O LYS A 28 -8.629 12.269 -0.745 1.00 0.00 O ATOM 408 CB LYS A 28 -8.374 15.046 -0.376 1.00 0.00 C ATOM 409 CG LYS A 28 -8.060 16.401 0.236 1.00 0.00 C ATOM 410 CD LYS A 28 -9.313 17.232 0.420 1.00 0.00 C ATOM 411 CE LYS A 28 -8.990 18.575 1.051 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.199 19.400 1.236 1.00 0.00 N ATOM 0 H LYS A 28 -5.337 15.095 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.638 14.042 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.875 15.198 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.076 14.520 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.570 16.261 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.358 16.936 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.796 17.387 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.022 16.693 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.507 18.416 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.278 19.110 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.937 20.308 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.646 19.573 0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.868 18.901 1.857 1.00 0.00 H new ATOM 426 N THR A 29 -6.660 12.156 -1.789 1.00 0.00 N ATOM 427 CA THR A 29 -6.888 10.870 -2.363 1.00 0.00 C ATOM 428 C THR A 29 -6.512 9.786 -1.357 1.00 0.00 C ATOM 429 O THR A 29 -5.578 9.938 -0.558 1.00 0.00 O ATOM 430 CB THR A 29 -6.057 10.701 -3.634 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.281 11.843 -4.485 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.451 9.439 -4.400 1.00 0.00 C ATOM 0 H THR A 29 -5.737 12.540 -1.990 1.00 0.00 H new ATOM 0 HA THR A 29 -7.944 10.781 -2.618 1.00 0.00 H new ATOM 0 HB THR A 29 -5.008 10.617 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.752 11.749 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.839 9.352 -5.298 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.293 8.565 -3.768 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.502 9.498 -4.682 1.00 0.00 H new ATOM 440 N LEU A 30 -7.252 8.742 -1.386 1.00 0.00 N ATOM 441 CA LEU A 30 -7.072 7.617 -0.511 1.00 0.00 C ATOM 442 C LEU A 30 -5.808 6.865 -0.969 1.00 0.00 C ATOM 443 O LEU A 30 -5.605 6.651 -2.173 1.00 0.00 O ATOM 444 CB LEU A 30 -8.361 6.733 -0.568 1.00 0.00 C ATOM 445 CG LEU A 30 -8.525 5.527 0.397 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.932 4.984 0.275 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.553 4.404 0.087 1.00 0.00 C ATOM 0 H LEU A 30 -8.029 8.631 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.930 7.915 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.213 7.393 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.444 6.347 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.321 5.886 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.055 4.137 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.647 5.764 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.109 4.660 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.708 3.585 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.721 4.048 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.531 4.772 0.178 1.00 0.00 H new ATOM 459 N VAL A 31 -4.971 6.497 -0.029 1.00 0.00 N ATOM 460 CA VAL A 31 -3.722 5.862 -0.343 1.00 0.00 C ATOM 461 C VAL A 31 -3.563 4.539 0.415 1.00 0.00 C ATOM 462 O VAL A 31 -3.830 4.459 1.621 1.00 0.00 O ATOM 463 CB VAL A 31 -2.520 6.825 -0.059 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.465 7.259 1.400 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.197 6.214 -0.489 1.00 0.00 C ATOM 0 H VAL A 31 -5.139 6.630 0.968 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.724 5.631 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.690 7.718 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.616 7.926 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.386 7.781 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.354 6.381 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.387 6.912 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.030 5.286 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.223 6.005 -1.558 1.00 0.00 H new ATOM 475 N VAL A 32 -3.168 3.516 -0.292 1.00 0.00 N ATOM 476 CA VAL A 32 -2.906 2.234 0.307 1.00 0.00 C ATOM 477 C VAL A 32 -1.480 1.855 0.002 1.00 0.00 C ATOM 478 O VAL A 32 -1.072 1.807 -1.169 1.00 0.00 O ATOM 479 CB VAL A 32 -3.859 1.130 -0.196 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.544 -0.202 0.472 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.311 1.508 0.048 1.00 0.00 C ATOM 0 H VAL A 32 -3.018 3.547 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.073 2.321 1.381 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.707 1.026 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.228 -0.965 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.519 -0.491 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.659 -0.104 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.960 0.712 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.475 1.650 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.540 2.433 -0.481 1.00 0.00 H new ATOM 491 N VAL A 33 -0.714 1.618 1.024 1.00 0.00 N ATOM 492 CA VAL A 33 0.676 1.328 0.844 1.00 0.00 C ATOM 493 C VAL A 33 0.979 -0.122 1.174 1.00 0.00 C ATOM 494 O VAL A 33 0.532 -0.649 2.204 1.00 0.00 O ATOM 495 CB VAL A 33 1.570 2.252 1.705 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.036 1.979 1.423 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.237 3.720 1.453 1.00 0.00 C ATOM 0 H VAL A 33 -1.030 1.620 1.994 1.00 0.00 H new ATOM 0 HA VAL A 33 0.902 1.510 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 33 1.373 2.038 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.653 2.636 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.265 0.940 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.244 2.164 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.878 4.350 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.401 3.955 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.194 3.905 1.708 1.00 0.00 H new ATOM 507 N ASP A 34 1.712 -0.744 0.294 1.00 0.00 N ATOM 508 CA ASP A 34 2.176 -2.102 0.443 1.00 0.00 C ATOM 509 C ASP A 34 3.643 -2.069 0.801 1.00 0.00 C ATOM 510 O ASP A 34 4.482 -1.666 -0.014 1.00 0.00 O ATOM 511 CB ASP A 34 1.995 -2.850 -0.879 1.00 0.00 C ATOM 512 CG ASP A 34 2.560 -4.262 -0.891 1.00 0.00 C ATOM 513 OD1 ASP A 34 3.782 -4.421 -1.074 1.00 0.00 O ATOM 514 OD2 ASP A 34 1.799 -5.209 -0.819 1.00 0.00 O ATOM 0 H ASP A 34 2.015 -0.308 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 34 1.608 -2.609 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.931 -2.897 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.471 -2.276 -1.674 1.00 0.00 H new ATOM 519 N PHE A 35 3.950 -2.412 2.009 1.00 0.00 N ATOM 520 CA PHE A 35 5.297 -2.495 2.434 1.00 0.00 C ATOM 521 C PHE A 35 5.719 -3.938 2.319 1.00 0.00 C ATOM 522 O PHE A 35 5.170 -4.807 3.000 1.00 0.00 O ATOM 523 CB PHE A 35 5.415 -2.046 3.873 1.00 0.00 C ATOM 524 CG PHE A 35 5.002 -0.621 4.151 1.00 0.00 C ATOM 525 CD1 PHE A 35 5.886 0.424 3.941 1.00 0.00 C ATOM 526 CD2 PHE A 35 3.743 -0.334 4.656 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.524 1.726 4.224 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.374 0.967 4.937 1.00 0.00 C ATOM 529 CZ PHE A 35 4.265 1.998 4.722 1.00 0.00 C ATOM 0 H PHE A 35 3.265 -2.643 2.728 1.00 0.00 H new ATOM 0 HA PHE A 35 5.930 -1.854 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.809 -2.708 4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.450 -2.173 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.872 0.218 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.043 -1.137 4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.225 2.531 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.388 1.177 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.979 3.016 4.943 1.00 0.00 H new ATOM 539 N THR A 36 6.682 -4.194 1.511 1.00 0.00 N ATOM 540 CA THR A 36 7.070 -5.531 1.232 1.00 0.00 C ATOM 541 C THR A 36 8.588 -5.633 1.145 1.00 0.00 C ATOM 542 O THR A 36 9.296 -4.641 1.253 1.00 0.00 O ATOM 543 CB THR A 36 6.419 -5.994 -0.112 1.00 0.00 C ATOM 544 OG1 THR A 36 6.716 -7.376 -0.380 1.00 0.00 O ATOM 545 CG2 THR A 36 6.919 -5.140 -1.277 1.00 0.00 C ATOM 0 H THR A 36 7.226 -3.482 1.023 1.00 0.00 H new ATOM 0 HA THR A 36 6.727 -6.179 2.039 1.00 0.00 H new ATOM 0 HB THR A 36 5.340 -5.874 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.066 -7.732 -1.021 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.454 -5.479 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.659 -4.096 -1.101 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.002 -5.235 -1.359 1.00 0.00 H new ATOM 553 N ALA A 37 9.063 -6.820 0.953 1.00 0.00 N ATOM 554 CA ALA A 37 10.451 -7.079 0.786 1.00 0.00 C ATOM 555 C ALA A 37 10.599 -7.956 -0.429 1.00 0.00 C ATOM 556 O ALA A 37 9.904 -8.977 -0.554 1.00 0.00 O ATOM 557 CB ALA A 37 11.031 -7.749 2.023 1.00 0.00 C ATOM 0 H ALA A 37 8.480 -7.656 0.907 1.00 0.00 H new ATOM 0 HA ALA A 37 11.001 -6.148 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.094 -7.937 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.898 -7.097 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.517 -8.694 2.200 1.00 0.00 H new ATOM 563 N SER A 38 11.464 -7.567 -1.324 1.00 0.00 N ATOM 564 CA SER A 38 11.662 -8.283 -2.576 1.00 0.00 C ATOM 565 C SER A 38 12.154 -9.733 -2.342 1.00 0.00 C ATOM 566 O SER A 38 11.829 -10.642 -3.111 1.00 0.00 O ATOM 567 CB SER A 38 12.632 -7.501 -3.456 1.00 0.00 C ATOM 568 OG SER A 38 12.182 -6.146 -3.602 1.00 0.00 O ATOM 0 H SER A 38 12.058 -6.745 -1.216 1.00 0.00 H new ATOM 0 HA SER A 38 10.702 -8.363 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.629 -7.516 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.710 -7.974 -4.435 1.00 0.00 H new ATOM 0 HG SER A 38 12.438 -5.629 -2.810 1.00 0.00 H new ATOM 574 N TRP A 39 12.893 -9.943 -1.264 1.00 0.00 N ATOM 575 CA TRP A 39 13.413 -11.269 -0.914 1.00 0.00 C ATOM 576 C TRP A 39 12.419 -12.083 -0.066 1.00 0.00 C ATOM 577 O TRP A 39 12.735 -13.170 0.412 1.00 0.00 O ATOM 578 CB TRP A 39 14.785 -11.144 -0.203 1.00 0.00 C ATOM 579 CG TRP A 39 14.826 -10.170 0.955 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.400 -8.943 0.938 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.278 -10.333 2.283 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.256 -8.326 2.155 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.569 -9.156 2.998 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.573 -11.355 2.933 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.181 -8.971 4.320 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.190 -11.168 4.246 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.495 -9.985 4.926 1.00 0.00 C ATOM 0 H TRP A 39 13.152 -9.208 -0.606 1.00 0.00 H new ATOM 0 HA TRP A 39 13.552 -11.819 -1.845 1.00 0.00 H new ATOM 0 HB2 TRP A 39 15.078 -12.129 0.161 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.531 -10.841 -0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.901 -8.510 0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.605 -7.398 2.393 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.334 -12.272 2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.414 -8.059 4.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.646 -11.949 4.757 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.181 -9.870 5.953 1.00 0.00 H new ATOM 598 N CYS A 40 11.229 -11.565 0.095 1.00 0.00 N ATOM 599 CA CYS A 40 10.223 -12.201 0.917 1.00 0.00 C ATOM 600 C CYS A 40 9.272 -13.061 0.080 1.00 0.00 C ATOM 601 O CYS A 40 8.634 -12.571 -0.861 1.00 0.00 O ATOM 602 CB CYS A 40 9.462 -11.136 1.696 1.00 0.00 C ATOM 603 SG CYS A 40 8.045 -11.722 2.661 1.00 0.00 S ATOM 0 H CYS A 40 10.927 -10.692 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 40 10.718 -12.872 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.159 -10.642 2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.111 -10.381 0.993 1.00 0.00 H new ATOM 608 N GLY A 41 9.182 -14.334 0.446 1.00 0.00 N ATOM 609 CA GLY A 41 8.352 -15.306 -0.265 1.00 0.00 C ATOM 610 C GLY A 41 6.851 -15.029 -0.175 1.00 0.00 C ATOM 611 O GLY A 41 6.210 -14.803 -1.199 1.00 0.00 O ATOM 0 H GLY A 41 9.682 -14.724 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.646 -15.320 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.552 -16.300 0.135 1.00 0.00 H new ATOM 615 N PRO A 42 6.248 -15.053 1.045 1.00 0.00 N ATOM 616 CA PRO A 42 4.811 -14.771 1.231 1.00 0.00 C ATOM 617 C PRO A 42 4.421 -13.400 0.669 1.00 0.00 C ATOM 618 O PRO A 42 3.307 -13.202 0.193 1.00 0.00 O ATOM 619 CB PRO A 42 4.620 -14.801 2.761 1.00 0.00 C ATOM 620 CG PRO A 42 5.999 -14.745 3.332 1.00 0.00 C ATOM 621 CD PRO A 42 6.896 -15.386 2.322 1.00 0.00 C ATOM 0 HA PRO A 42 4.184 -15.492 0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.020 -13.956 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.101 -15.707 3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.300 -13.715 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.047 -15.272 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.910 -14.991 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.966 -16.464 2.470 1.00 0.00 H new ATOM 629 N CYS A 43 5.357 -12.477 0.710 1.00 0.00 N ATOM 630 CA CYS A 43 5.159 -11.136 0.195 1.00 0.00 C ATOM 631 C CYS A 43 5.017 -11.180 -1.331 1.00 0.00 C ATOM 632 O CYS A 43 4.170 -10.506 -1.908 1.00 0.00 O ATOM 633 CB CYS A 43 6.343 -10.271 0.589 1.00 0.00 C ATOM 634 SG CYS A 43 6.680 -10.249 2.385 1.00 0.00 S ATOM 0 H CYS A 43 6.284 -12.635 1.104 1.00 0.00 H new ATOM 0 HA CYS A 43 4.248 -10.711 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.231 -10.628 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.163 -9.251 0.251 1.00 0.00 H new ATOM 639 N ARG A 44 5.835 -12.008 -1.960 1.00 0.00 N ATOM 640 CA ARG A 44 5.809 -12.214 -3.400 1.00 0.00 C ATOM 641 C ARG A 44 4.474 -12.853 -3.759 1.00 0.00 C ATOM 642 O ARG A 44 3.818 -12.459 -4.715 1.00 0.00 O ATOM 643 CB ARG A 44 7.052 -13.100 -3.772 1.00 0.00 C ATOM 644 CG ARG A 44 7.366 -13.443 -5.261 1.00 0.00 C ATOM 645 CD ARG A 44 6.603 -14.662 -5.833 1.00 0.00 C ATOM 646 NE ARG A 44 5.215 -14.402 -6.171 1.00 0.00 N ATOM 647 CZ ARG A 44 4.265 -15.328 -6.321 1.00 0.00 C ATOM 648 NH1 ARG A 44 4.508 -16.606 -6.041 1.00 0.00 N ATOM 649 NH2 ARG A 44 3.057 -14.957 -6.717 1.00 0.00 N ATOM 0 H ARG A 44 6.544 -12.563 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 44 5.883 -11.287 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.933 -12.605 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.943 -14.045 -3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.137 -12.571 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.436 -13.627 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.121 -15.012 -6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.640 -15.472 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 44 4.942 -13.428 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.429 -16.889 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.773 -17.303 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.861 -13.974 -6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.322 -15.655 -6.835 1.00 0.00 H new ATOM 663 N PHE A 45 4.062 -13.797 -2.940 1.00 0.00 N ATOM 664 CA PHE A 45 2.812 -14.530 -3.127 1.00 0.00 C ATOM 665 C PHE A 45 1.560 -13.634 -3.000 1.00 0.00 C ATOM 666 O PHE A 45 0.572 -13.824 -3.725 1.00 0.00 O ATOM 667 CB PHE A 45 2.743 -15.694 -2.123 1.00 0.00 C ATOM 668 CG PHE A 45 1.451 -16.462 -2.153 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.190 -17.359 -3.169 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.497 -16.285 -1.156 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.007 -18.064 -3.198 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.684 -16.988 -1.181 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.931 -17.878 -2.203 1.00 0.00 C ATOM 0 H PHE A 45 4.586 -14.086 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 45 2.812 -14.914 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.565 -16.381 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.895 -15.301 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.921 -17.510 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.686 -15.588 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.186 -18.762 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.417 -16.843 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.859 -18.430 -2.226 1.00 0.00 H new ATOM 683 N ILE A 46 1.603 -12.669 -2.108 1.00 0.00 N ATOM 684 CA ILE A 46 0.433 -11.843 -1.845 1.00 0.00 C ATOM 685 C ILE A 46 0.386 -10.632 -2.816 1.00 0.00 C ATOM 686 O ILE A 46 -0.687 -10.079 -3.099 1.00 0.00 O ATOM 687 CB ILE A 46 0.428 -11.347 -0.356 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.927 -10.772 0.045 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.524 -10.329 -0.099 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.015 -11.810 0.110 1.00 0.00 C ATOM 0 H ILE A 46 2.426 -12.434 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.455 -12.453 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 46 0.623 -12.223 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.836 -10.289 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.213 -10.000 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.487 -10.010 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.495 -10.779 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.378 -9.466 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.953 -11.336 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.132 -12.276 -0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.749 -12.570 0.845 1.00 0.00 H new ATOM 702 N ALA A 47 1.553 -10.282 -3.352 1.00 0.00 N ATOM 703 CA ALA A 47 1.736 -9.128 -4.246 1.00 0.00 C ATOM 704 C ALA A 47 0.754 -9.051 -5.454 1.00 0.00 C ATOM 705 O ALA A 47 0.208 -7.970 -5.707 1.00 0.00 O ATOM 706 CB ALA A 47 3.177 -9.037 -4.716 1.00 0.00 C ATOM 0 H ALA A 47 2.416 -10.797 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 47 1.486 -8.261 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.291 -8.177 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.834 -8.922 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.442 -9.946 -5.256 1.00 0.00 H new ATOM 712 N PRO A 48 0.505 -10.173 -6.223 1.00 0.00 N ATOM 713 CA PRO A 48 -0.399 -10.150 -7.391 1.00 0.00 C ATOM 714 C PRO A 48 -1.783 -9.593 -7.064 1.00 0.00 C ATOM 715 O PRO A 48 -2.408 -8.943 -7.903 1.00 0.00 O ATOM 716 CB PRO A 48 -0.509 -11.617 -7.788 1.00 0.00 C ATOM 717 CG PRO A 48 0.755 -12.218 -7.323 1.00 0.00 C ATOM 718 CD PRO A 48 1.087 -11.522 -6.041 1.00 0.00 C ATOM 0 HA PRO A 48 -0.012 -9.502 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.371 -12.092 -7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.630 -11.729 -8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.645 -13.291 -7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.547 -12.082 -8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.654 -12.034 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.163 -11.476 -5.875 1.00 0.00 H new ATOM 726 N PHE A 49 -2.244 -9.822 -5.837 1.00 0.00 N ATOM 727 CA PHE A 49 -3.549 -9.342 -5.421 1.00 0.00 C ATOM 728 C PHE A 49 -3.554 -7.832 -5.268 1.00 0.00 C ATOM 729 O PHE A 49 -4.535 -7.179 -5.587 1.00 0.00 O ATOM 730 CB PHE A 49 -4.019 -10.012 -4.117 1.00 0.00 C ATOM 731 CG PHE A 49 -5.344 -9.474 -3.626 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.529 -9.905 -4.187 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.394 -8.518 -2.618 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.737 -9.397 -3.758 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.599 -8.010 -2.184 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.773 -8.447 -2.755 1.00 0.00 C ATOM 0 H PHE A 49 -1.732 -10.335 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.252 -9.615 -6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.105 -11.087 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.264 -9.864 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.510 -10.648 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.476 -8.169 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.657 -9.742 -4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.622 -7.270 -1.397 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.719 -8.049 -2.420 1.00 0.00 H new ATOM 746 N PHE A 50 -2.452 -7.281 -4.811 1.00 0.00 N ATOM 747 CA PHE A 50 -2.368 -5.851 -4.583 1.00 0.00 C ATOM 748 C PHE A 50 -2.376 -5.119 -5.930 1.00 0.00 C ATOM 749 O PHE A 50 -2.958 -4.045 -6.072 1.00 0.00 O ATOM 750 CB PHE A 50 -1.106 -5.521 -3.770 1.00 0.00 C ATOM 751 CG PHE A 50 -1.029 -4.097 -3.305 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.722 -3.700 -2.175 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.264 -3.163 -3.976 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.658 -2.406 -1.725 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.199 -1.860 -3.529 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.895 -1.480 -2.400 1.00 0.00 C ATOM 0 H PHE A 50 -1.601 -7.798 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.230 -5.517 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.065 -6.178 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.228 -5.741 -4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.323 -4.420 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.287 -3.455 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.206 -2.114 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.398 -1.136 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.842 -0.461 -2.047 1.00 0.00 H new ATOM 766 N ALA A 51 -1.751 -5.738 -6.920 1.00 0.00 N ATOM 767 CA ALA A 51 -1.719 -5.195 -8.275 1.00 0.00 C ATOM 768 C ALA A 51 -3.085 -5.373 -8.951 1.00 0.00 C ATOM 769 O ALA A 51 -3.482 -4.597 -9.817 1.00 0.00 O ATOM 770 CB ALA A 51 -0.632 -5.883 -9.084 1.00 0.00 C ATOM 0 H ALA A 51 -1.255 -6.623 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.496 -4.129 -8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.615 -5.472 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.335 -5.718 -8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.835 -6.953 -9.131 1.00 0.00 H new ATOM 776 N ASP A 52 -3.794 -6.390 -8.518 1.00 0.00 N ATOM 777 CA ASP A 52 -5.124 -6.717 -9.031 1.00 0.00 C ATOM 778 C ASP A 52 -6.117 -5.714 -8.500 1.00 0.00 C ATOM 779 O ASP A 52 -6.922 -5.146 -9.246 1.00 0.00 O ATOM 780 CB ASP A 52 -5.499 -8.108 -8.561 1.00 0.00 C ATOM 781 CG ASP A 52 -6.795 -8.611 -9.118 1.00 0.00 C ATOM 782 OD1 ASP A 52 -6.823 -9.017 -10.294 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.789 -8.651 -8.380 1.00 0.00 O ATOM 0 H ASP A 52 -3.468 -7.027 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.128 -6.686 -10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.704 -8.800 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.559 -8.109 -7.473 1.00 0.00 H new ATOM 788 N LEU A 53 -6.031 -5.501 -7.203 1.00 0.00 N ATOM 789 CA LEU A 53 -6.797 -4.522 -6.472 1.00 0.00 C ATOM 790 C LEU A 53 -6.586 -3.152 -7.138 1.00 0.00 C ATOM 791 O LEU A 53 -7.516 -2.359 -7.281 1.00 0.00 O ATOM 792 CB LEU A 53 -6.228 -4.520 -5.048 1.00 0.00 C ATOM 793 CG LEU A 53 -7.119 -4.080 -3.903 1.00 0.00 C ATOM 794 CD1 LEU A 53 -6.365 -4.207 -2.590 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.664 -2.674 -4.065 1.00 0.00 C ATOM 0 H LEU A 53 -5.396 -6.031 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.865 -4.741 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.885 -5.531 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.348 -3.877 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.985 -4.741 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.008 -3.890 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.069 -5.245 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.476 -3.577 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.293 -2.427 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.836 -1.967 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.256 -2.616 -4.979 1.00 0.00 H new ATOM 807 N ALA A 54 -5.360 -2.916 -7.566 1.00 0.00 N ATOM 808 CA ALA A 54 -4.974 -1.704 -8.250 1.00 0.00 C ATOM 809 C ALA A 54 -5.780 -1.478 -9.530 1.00 0.00 C ATOM 810 O ALA A 54 -5.961 -0.355 -9.939 1.00 0.00 O ATOM 811 CB ALA A 54 -3.483 -1.676 -8.528 1.00 0.00 C ATOM 0 H ALA A 54 -4.592 -3.577 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.206 -0.877 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.226 -0.751 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.936 -1.731 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.214 -2.527 -9.154 1.00 0.00 H new ATOM 817 N LYS A 55 -6.205 -2.546 -10.197 1.00 0.00 N ATOM 818 CA LYS A 55 -7.021 -2.402 -11.414 1.00 0.00 C ATOM 819 C LYS A 55 -8.483 -2.108 -11.068 1.00 0.00 C ATOM 820 O LYS A 55 -9.201 -1.439 -11.823 1.00 0.00 O ATOM 821 CB LYS A 55 -6.977 -3.672 -12.262 1.00 0.00 C ATOM 822 CG LYS A 55 -5.603 -4.081 -12.731 1.00 0.00 C ATOM 823 CD LYS A 55 -5.682 -5.333 -13.573 1.00 0.00 C ATOM 824 CE LYS A 55 -4.312 -5.790 -14.021 1.00 0.00 C ATOM 825 NZ LYS A 55 -4.384 -7.014 -14.841 1.00 0.00 N ATOM 0 H LYS A 55 -6.006 -3.509 -9.927 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.600 -1.569 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.405 -4.491 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.614 -3.530 -13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.155 -3.274 -13.310 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.955 -4.254 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.162 -6.127 -13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.307 -5.146 -14.446 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.833 -4.996 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.686 -5.974 -13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.425 -7.296 -15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.818 -7.779 -14.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.960 -6.831 -15.687 1.00 0.00 H new ATOM 839 N LYS A 56 -8.899 -2.599 -9.921 1.00 0.00 N ATOM 840 CA LYS A 56 -10.291 -2.549 -9.472 1.00 0.00 C ATOM 841 C LYS A 56 -10.600 -1.309 -8.649 1.00 0.00 C ATOM 842 O LYS A 56 -11.750 -1.103 -8.223 1.00 0.00 O ATOM 843 CB LYS A 56 -10.597 -3.817 -8.697 1.00 0.00 C ATOM 844 CG LYS A 56 -10.485 -5.056 -9.560 1.00 0.00 C ATOM 845 CD LYS A 56 -10.551 -6.322 -8.749 1.00 0.00 C ATOM 846 CE LYS A 56 -10.493 -7.535 -9.654 1.00 0.00 C ATOM 847 NZ LYS A 56 -10.358 -8.775 -8.889 1.00 0.00 N ATOM 0 H LYS A 56 -8.275 -3.055 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.934 -2.485 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.911 -3.900 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.604 -3.754 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.288 -5.057 -10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.545 -5.029 -10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.724 -6.350 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.472 -6.340 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.397 -7.579 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.652 -7.437 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.304 -9.582 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.492 -8.736 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.182 -8.889 -8.265 1.00 0.00 H new ATOM 861 N LEU A 57 -9.577 -0.522 -8.398 1.00 0.00 N ATOM 862 CA LEU A 57 -9.666 0.697 -7.598 1.00 0.00 C ATOM 863 C LEU A 57 -10.778 1.639 -8.102 1.00 0.00 C ATOM 864 O LEU A 57 -11.022 1.742 -9.307 1.00 0.00 O ATOM 865 CB LEU A 57 -8.313 1.473 -7.651 1.00 0.00 C ATOM 866 CG LEU A 57 -8.001 2.355 -8.917 1.00 0.00 C ATOM 867 CD1 LEU A 57 -6.621 2.968 -8.826 1.00 0.00 C ATOM 868 CD2 LEU A 57 -8.148 1.601 -10.232 1.00 0.00 C ATOM 0 H LEU A 57 -8.637 -0.708 -8.748 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.898 0.390 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.269 2.122 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.509 0.744 -7.549 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.752 3.145 -8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.432 3.572 -9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.561 3.598 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.875 2.176 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.918 2.269 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.460 0.755 -10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.171 1.238 -10.331 1.00 0.00 H new ATOM 880 N PRO A 58 -11.504 2.293 -7.202 1.00 0.00 N ATOM 881 CA PRO A 58 -12.390 3.368 -7.596 1.00 0.00 C ATOM 882 C PRO A 58 -11.514 4.563 -7.990 1.00 0.00 C ATOM 883 O PRO A 58 -11.556 5.041 -9.132 1.00 0.00 O ATOM 884 CB PRO A 58 -13.208 3.668 -6.324 1.00 0.00 C ATOM 885 CG PRO A 58 -12.934 2.521 -5.402 1.00 0.00 C ATOM 886 CD PRO A 58 -11.570 2.017 -5.763 1.00 0.00 C ATOM 0 HA PRO A 58 -13.043 3.136 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.906 4.615 -5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.272 3.747 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.969 2.841 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.683 1.738 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.786 2.537 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.459 0.954 -5.547 1.00 0.00 H new ATOM 894 N ASN A 59 -10.697 5.006 -7.034 1.00 0.00 N ATOM 895 CA ASN A 59 -9.681 6.027 -7.234 1.00 0.00 C ATOM 896 C ASN A 59 -8.736 6.025 -6.033 1.00 0.00 C ATOM 897 O ASN A 59 -8.938 6.747 -5.064 1.00 0.00 O ATOM 898 CB ASN A 59 -10.298 7.416 -7.460 1.00 0.00 C ATOM 899 CG ASN A 59 -9.262 8.493 -7.745 1.00 0.00 C ATOM 900 OD1 ASN A 59 -8.865 8.698 -8.899 1.00 0.00 O ATOM 901 ND2 ASN A 59 -8.838 9.201 -6.729 1.00 0.00 N ATOM 0 H ASN A 59 -10.728 4.653 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.120 5.793 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.998 7.364 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.873 7.699 -6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.160 9.948 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.186 9.005 -5.790 1.00 0.00 H new ATOM 908 N VAL A 60 -7.747 5.150 -6.073 1.00 0.00 N ATOM 909 CA VAL A 60 -6.826 4.952 -4.951 1.00 0.00 C ATOM 910 C VAL A 60 -5.379 4.986 -5.429 1.00 0.00 C ATOM 911 O VAL A 60 -5.047 4.395 -6.454 1.00 0.00 O ATOM 912 CB VAL A 60 -7.089 3.593 -4.222 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.118 3.393 -3.066 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.521 3.505 -3.722 1.00 0.00 C ATOM 0 H VAL A 60 -7.554 4.555 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.001 5.767 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.929 2.798 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.325 2.440 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.096 3.392 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.237 4.203 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.673 2.549 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.712 4.318 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.207 3.585 -4.566 1.00 0.00 H new ATOM 924 N LEU A 61 -4.535 5.681 -4.709 1.00 0.00 N ATOM 925 CA LEU A 61 -3.135 5.742 -5.056 1.00 0.00 C ATOM 926 C LEU A 61 -2.430 4.610 -4.260 1.00 0.00 C ATOM 927 O LEU A 61 -2.533 4.550 -3.030 1.00 0.00 O ATOM 928 CB LEU A 61 -2.577 7.144 -4.681 1.00 0.00 C ATOM 929 CG LEU A 61 -1.305 7.649 -5.424 1.00 0.00 C ATOM 930 CD1 LEU A 61 -0.915 9.033 -4.933 1.00 0.00 C ATOM 931 CD2 LEU A 61 -0.132 6.696 -5.293 1.00 0.00 C ATOM 0 H LEU A 61 -4.792 6.214 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.966 5.602 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.370 7.873 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.361 7.142 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.559 7.699 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.024 9.370 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.733 9.729 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.708 8.995 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.726 7.099 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.123 6.575 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.401 5.727 -5.714 1.00 0.00 H new ATOM 943 N PHE A 62 -1.768 3.707 -4.962 1.00 0.00 N ATOM 944 CA PHE A 62 -1.101 2.560 -4.326 1.00 0.00 C ATOM 945 C PHE A 62 0.404 2.671 -4.470 1.00 0.00 C ATOM 946 O PHE A 62 0.901 3.158 -5.496 1.00 0.00 O ATOM 947 CB PHE A 62 -1.525 1.239 -4.960 1.00 0.00 C ATOM 948 CG PHE A 62 -2.991 0.934 -4.932 1.00 0.00 C ATOM 949 CD1 PHE A 62 -3.552 0.271 -3.855 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.803 1.291 -5.987 1.00 0.00 C ATOM 951 CE1 PHE A 62 -4.895 -0.027 -3.833 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.143 0.997 -5.974 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.694 0.336 -4.896 1.00 0.00 C ATOM 0 H PHE A 62 -1.672 3.737 -5.977 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.392 2.575 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.194 1.235 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.997 0.431 -4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.928 -0.016 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.379 1.809 -6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.322 -0.543 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.767 1.283 -6.808 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.749 0.103 -4.885 1.00 0.00 H new ATOM 963 N LEU A 63 1.129 2.230 -3.459 1.00 0.00 N ATOM 964 CA LEU A 63 2.582 2.239 -3.486 1.00 0.00 C ATOM 965 C LEU A 63 3.162 0.894 -3.038 1.00 0.00 C ATOM 966 O LEU A 63 2.617 0.249 -2.147 1.00 0.00 O ATOM 967 CB LEU A 63 3.195 3.343 -2.599 1.00 0.00 C ATOM 968 CG LEU A 63 2.912 4.814 -2.946 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.518 5.237 -2.535 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.959 5.722 -2.337 1.00 0.00 C ATOM 0 H LEU A 63 0.730 1.856 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 63 2.845 2.437 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.854 3.173 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.276 3.206 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 63 2.967 4.907 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.362 6.283 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.783 4.619 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.403 5.114 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.738 6.757 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.952 5.610 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.942 5.454 -2.723 1.00 0.00 H new ATOM 982 N LYS A 64 4.253 0.482 -3.680 1.00 0.00 N ATOM 983 CA LYS A 64 5.014 -0.674 -3.317 1.00 0.00 C ATOM 984 C LYS A 64 6.301 -0.190 -2.682 1.00 0.00 C ATOM 985 O LYS A 64 7.110 0.476 -3.340 1.00 0.00 O ATOM 986 CB LYS A 64 5.370 -1.485 -4.562 1.00 0.00 C ATOM 987 CG LYS A 64 4.213 -2.162 -5.283 1.00 0.00 C ATOM 988 CD LYS A 64 3.547 -3.267 -4.456 1.00 0.00 C ATOM 989 CE LYS A 64 4.479 -4.457 -4.239 1.00 0.00 C ATOM 990 NZ LYS A 64 3.848 -5.523 -3.420 1.00 0.00 N ATOM 0 H LYS A 64 4.630 0.971 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 64 4.436 -1.300 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.872 -0.824 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.090 -2.252 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.466 -1.411 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.576 -2.587 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.242 -2.864 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.641 -3.603 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.771 -4.869 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.391 -4.117 -3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.234 -6.448 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.048 -5.352 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.820 -5.517 -3.575 1.00 0.00 H new ATOM 1004 N VAL A 65 6.489 -0.483 -1.436 1.00 0.00 N ATOM 1005 CA VAL A 65 7.664 -0.039 -0.732 1.00 0.00 C ATOM 1006 C VAL A 65 8.505 -1.222 -0.300 1.00 0.00 C ATOM 1007 O VAL A 65 8.045 -2.063 0.463 1.00 0.00 O ATOM 1008 CB VAL A 65 7.285 0.806 0.515 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.522 1.272 1.266 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.436 1.996 0.112 1.00 0.00 C ATOM 0 H VAL A 65 5.840 -1.034 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 65 8.240 0.584 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 65 6.706 0.169 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.221 1.860 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.095 0.406 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.138 1.885 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.180 2.577 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.994 2.622 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.523 1.645 -0.369 1.00 0.00 H new ATOM 1020 N ASP A 66 9.722 -1.294 -0.806 1.00 0.00 N ATOM 1021 CA ASP A 66 10.654 -2.332 -0.385 1.00 0.00 C ATOM 1022 C ASP A 66 11.284 -1.905 0.919 1.00 0.00 C ATOM 1023 O ASP A 66 12.051 -0.945 0.961 1.00 0.00 O ATOM 1024 CB ASP A 66 11.727 -2.586 -1.443 1.00 0.00 C ATOM 1025 CG ASP A 66 12.728 -3.684 -1.054 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.421 -4.897 -1.241 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.838 -3.356 -0.589 1.00 0.00 O ATOM 0 H ASP A 66 10.090 -0.651 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 66 10.112 -3.268 -0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.243 -2.863 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.271 -1.659 -1.627 1.00 0.00 H new ATOM 1032 N THR A 67 10.942 -2.597 1.972 1.00 0.00 N ATOM 1033 CA THR A 67 11.367 -2.268 3.321 1.00 0.00 C ATOM 1034 C THR A 67 12.842 -2.540 3.562 1.00 0.00 C ATOM 1035 O THR A 67 13.386 -2.181 4.608 1.00 0.00 O ATOM 1036 CB THR A 67 10.524 -3.022 4.356 1.00 0.00 C ATOM 1037 OG1 THR A 67 10.597 -4.430 4.081 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.071 -2.572 4.304 1.00 0.00 C ATOM 0 H THR A 67 10.348 -3.424 1.923 1.00 0.00 H new ATOM 0 HA THR A 67 11.213 -1.195 3.435 1.00 0.00 H new ATOM 0 HB THR A 67 10.915 -2.809 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.978 -4.895 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.493 -3.121 5.047 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.013 -1.504 4.516 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.665 -2.768 3.312 1.00 0.00 H new ATOM 1046 N ASP A 68 13.475 -3.204 2.638 1.00 0.00 N ATOM 1047 CA ASP A 68 14.885 -3.464 2.754 1.00 0.00 C ATOM 1048 C ASP A 68 15.626 -2.198 2.375 1.00 0.00 C ATOM 1049 O ASP A 68 16.541 -1.763 3.068 1.00 0.00 O ATOM 1050 CB ASP A 68 15.280 -4.613 1.853 1.00 0.00 C ATOM 1051 CG ASP A 68 16.734 -5.007 1.978 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.594 -4.393 1.299 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.031 -5.963 2.742 1.00 0.00 O ATOM 0 H ASP A 68 13.039 -3.576 1.795 1.00 0.00 H new ATOM 0 HA ASP A 68 15.139 -3.747 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.657 -5.477 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.074 -4.340 0.818 1.00 0.00 H new ATOM 1058 N GLU A 69 15.201 -1.602 1.278 1.00 0.00 N ATOM 1059 CA GLU A 69 15.722 -0.347 0.828 1.00 0.00 C ATOM 1060 C GLU A 69 15.230 0.782 1.706 1.00 0.00 C ATOM 1061 O GLU A 69 16.021 1.492 2.317 1.00 0.00 O ATOM 1062 CB GLU A 69 15.334 -0.083 -0.614 1.00 0.00 C ATOM 1063 CG GLU A 69 16.070 -0.907 -1.649 1.00 0.00 C ATOM 1064 CD GLU A 69 15.742 -0.486 -3.064 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.273 0.533 -3.525 1.00 0.00 O ATOM 1066 OE2 GLU A 69 14.938 -1.163 -3.733 1.00 0.00 O ATOM 0 H GLU A 69 14.475 -1.989 0.674 1.00 0.00 H new ATOM 0 HA GLU A 69 16.809 -0.397 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.265 -0.265 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.501 0.972 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.144 -0.815 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.817 -1.959 -1.518 1.00 0.00 H new ATOM 1073 N LEU A 70 13.919 0.925 1.798 1.00 0.00 N ATOM 1074 CA LEU A 70 13.290 1.942 2.587 1.00 0.00 C ATOM 1075 C LEU A 70 13.164 1.445 4.017 1.00 0.00 C ATOM 1076 O LEU A 70 12.092 1.482 4.635 1.00 0.00 O ATOM 1077 CB LEU A 70 11.913 2.273 2.007 1.00 0.00 C ATOM 1078 CG LEU A 70 11.840 3.026 0.656 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.608 4.336 0.707 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.293 2.168 -0.514 1.00 0.00 C ATOM 0 H LEU A 70 13.258 0.319 1.312 1.00 0.00 H new ATOM 0 HA LEU A 70 13.892 2.851 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.367 1.336 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.376 2.867 2.747 1.00 0.00 H new ATOM 0 HG LEU A 70 10.789 3.259 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.536 4.838 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.185 4.976 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.655 4.135 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.222 2.744 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.326 1.857 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.656 1.286 -0.587 1.00 0.00 H new ATOM 1092 N LYS A 71 14.282 1.036 4.534 1.00 0.00 N ATOM 1093 CA LYS A 71 14.399 0.424 5.821 1.00 0.00 C ATOM 1094 C LYS A 71 14.040 1.427 6.925 1.00 0.00 C ATOM 1095 O LYS A 71 13.361 1.087 7.899 1.00 0.00 O ATOM 1096 CB LYS A 71 15.826 -0.074 5.962 1.00 0.00 C ATOM 1097 CG LYS A 71 16.052 -1.046 7.078 1.00 0.00 C ATOM 1098 CD LYS A 71 17.505 -1.461 7.108 1.00 0.00 C ATOM 1099 CE LYS A 71 17.793 -2.464 8.203 1.00 0.00 C ATOM 1100 NZ LYS A 71 19.202 -2.899 8.162 1.00 0.00 N ATOM 0 H LYS A 71 15.175 1.124 4.049 1.00 0.00 H new ATOM 0 HA LYS A 71 13.706 -0.412 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.124 -0.544 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.481 0.785 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.774 -0.593 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.417 -1.922 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.778 -1.890 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.129 -0.579 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.573 -2.021 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.138 -3.328 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.375 -3.587 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.402 -3.342 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.824 -2.075 8.292 1.00 0.00 H new ATOM 1114 N SER A 72 14.465 2.666 6.740 1.00 0.00 N ATOM 1115 CA SER A 72 14.154 3.738 7.668 1.00 0.00 C ATOM 1116 C SER A 72 12.646 4.008 7.693 1.00 0.00 C ATOM 1117 O SER A 72 12.076 4.337 8.740 1.00 0.00 O ATOM 1118 CB SER A 72 14.918 4.994 7.280 1.00 0.00 C ATOM 1119 OG SER A 72 16.321 4.754 7.282 1.00 0.00 O ATOM 0 H SER A 72 15.034 2.955 5.944 1.00 0.00 H new ATOM 0 HA SER A 72 14.459 3.437 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.603 5.326 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.681 5.799 7.976 1.00 0.00 H new ATOM 0 HG SER A 72 16.794 5.574 7.028 1.00 0.00 H new ATOM 1125 N VAL A 73 12.006 3.830 6.546 1.00 0.00 N ATOM 1126 CA VAL A 73 10.573 4.026 6.412 1.00 0.00 C ATOM 1127 C VAL A 73 9.837 2.920 7.153 1.00 0.00 C ATOM 1128 O VAL A 73 8.869 3.171 7.861 1.00 0.00 O ATOM 1129 CB VAL A 73 10.146 4.046 4.920 1.00 0.00 C ATOM 1130 CG1 VAL A 73 8.642 4.206 4.775 1.00 0.00 C ATOM 1131 CG2 VAL A 73 10.869 5.157 4.174 1.00 0.00 C ATOM 0 H VAL A 73 12.468 3.545 5.682 1.00 0.00 H new ATOM 0 HA VAL A 73 10.314 4.992 6.846 1.00 0.00 H new ATOM 0 HB VAL A 73 10.425 3.087 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.377 4.216 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.138 3.374 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.330 5.143 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.558 5.156 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.623 6.118 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.945 4.994 4.232 1.00 0.00 H new ATOM 1141 N ALA A 74 10.336 1.701 7.016 1.00 0.00 N ATOM 1142 CA ALA A 74 9.772 0.545 7.705 1.00 0.00 C ATOM 1143 C ALA A 74 9.814 0.758 9.212 1.00 0.00 C ATOM 1144 O ALA A 74 8.872 0.445 9.919 1.00 0.00 O ATOM 1145 CB ALA A 74 10.527 -0.716 7.325 1.00 0.00 C ATOM 0 H ALA A 74 11.140 1.483 6.427 1.00 0.00 H new ATOM 0 HA ALA A 74 8.732 0.429 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.095 -1.570 7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.454 -0.873 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.575 -0.611 7.606 1.00 0.00 H new ATOM 1151 N SER A 75 10.899 1.318 9.689 1.00 0.00 N ATOM 1152 CA SER A 75 11.039 1.598 11.095 1.00 0.00 C ATOM 1153 C SER A 75 10.158 2.791 11.517 1.00 0.00 C ATOM 1154 O SER A 75 9.661 2.837 12.639 1.00 0.00 O ATOM 1155 CB SER A 75 12.503 1.850 11.413 1.00 0.00 C ATOM 1156 OG SER A 75 13.282 0.735 11.001 1.00 0.00 O ATOM 0 H SER A 75 11.701 1.589 9.120 1.00 0.00 H new ATOM 0 HA SER A 75 10.697 0.735 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.845 2.752 10.906 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.629 2.018 12.483 1.00 0.00 H new ATOM 0 HG SER A 75 13.373 0.742 10.025 1.00 0.00 H new ATOM 1162 N ASP A 76 9.946 3.721 10.596 1.00 0.00 N ATOM 1163 CA ASP A 76 9.152 4.930 10.862 1.00 0.00 C ATOM 1164 C ASP A 76 7.662 4.606 10.983 1.00 0.00 C ATOM 1165 O ASP A 76 6.957 5.171 11.825 1.00 0.00 O ATOM 1166 CB ASP A 76 9.397 5.974 9.756 1.00 0.00 C ATOM 1167 CG ASP A 76 8.595 7.252 9.920 1.00 0.00 C ATOM 1168 OD1 ASP A 76 8.978 8.117 10.751 1.00 0.00 O ATOM 1169 OD2 ASP A 76 7.614 7.442 9.191 1.00 0.00 O ATOM 0 H ASP A 76 10.314 3.667 9.646 1.00 0.00 H new ATOM 0 HA ASP A 76 9.473 5.345 11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.458 6.224 9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.156 5.528 8.791 1.00 0.00 H new ATOM 1174 N TRP A 77 7.201 3.671 10.173 1.00 0.00 N ATOM 1175 CA TRP A 77 5.811 3.235 10.198 1.00 0.00 C ATOM 1176 C TRP A 77 5.621 2.037 11.120 1.00 0.00 C ATOM 1177 O TRP A 77 4.499 1.523 11.275 1.00 0.00 O ATOM 1178 CB TRP A 77 5.307 2.934 8.788 1.00 0.00 C ATOM 1179 CG TRP A 77 5.232 4.152 7.907 1.00 0.00 C ATOM 1180 CD1 TRP A 77 6.268 4.793 7.314 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.050 4.862 7.515 1.00 0.00 C ATOM 1182 NE1 TRP A 77 5.814 5.862 6.599 1.00 0.00 N ATOM 1183 CE2 TRP A 77 4.457 5.926 6.699 1.00 0.00 C ATOM 1184 CE3 TRP A 77 2.696 4.706 7.780 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 3.556 6.831 6.141 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 1.800 5.600 7.226 1.00 0.00 C ATOM 1187 CH2 TRP A 77 2.235 6.651 6.418 1.00 0.00 C ATOM 0 H TRP A 77 7.775 3.191 9.480 1.00 0.00 H new ATOM 0 HA TRP A 77 5.213 4.054 10.599 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.965 2.199 8.324 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.318 2.480 8.853 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.304 4.500 7.396 1.00 0.00 H new ATOM 0 HE1 TRP A 77 6.398 6.511 6.072 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.349 3.899 8.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.892 7.643 5.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.744 5.483 7.422 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.509 7.335 6.004 1.00 0.00 H new ATOM 1198 N ALA A 78 6.728 1.627 11.738 1.00 0.00 N ATOM 1199 CA ALA A 78 6.795 0.498 12.660 1.00 0.00 C ATOM 1200 C ALA A 78 6.404 -0.811 11.992 1.00 0.00 C ATOM 1201 O ALA A 78 5.236 -1.207 11.985 1.00 0.00 O ATOM 1202 CB ALA A 78 6.002 0.745 13.935 1.00 0.00 C ATOM 0 H ALA A 78 7.629 2.086 11.606 1.00 0.00 H new ATOM 0 HA ALA A 78 7.840 0.403 12.956 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.083 -0.124 14.588 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.399 1.622 14.446 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.955 0.914 13.685 1.00 0.00 H new ATOM 1208 N ILE A 79 7.373 -1.440 11.384 1.00 0.00 N ATOM 1209 CA ILE A 79 7.185 -2.683 10.678 1.00 0.00 C ATOM 1210 C ILE A 79 8.213 -3.679 11.143 1.00 0.00 C ATOM 1211 O ILE A 79 9.427 -3.451 11.008 1.00 0.00 O ATOM 1212 CB ILE A 79 7.320 -2.475 9.146 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.282 -1.446 8.668 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.170 -3.801 8.393 1.00 0.00 C ATOM 1215 CD1 ILE A 79 6.328 -1.157 7.201 1.00 0.00 C ATOM 0 H ILE A 79 8.334 -1.098 11.364 1.00 0.00 H new ATOM 0 HA ILE A 79 6.182 -3.055 10.888 1.00 0.00 H new ATOM 0 HB ILE A 79 8.318 -2.092 8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.286 -1.807 8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.433 -0.515 9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.269 -3.624 7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.945 -4.495 8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.189 -4.229 8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.563 -0.422 6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.310 -0.763 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.145 -2.075 6.643 1.00 0.00 H new ATOM 1227 N GLN A 80 7.743 -4.758 11.717 1.00 0.00 N ATOM 1228 CA GLN A 80 8.621 -5.797 12.192 1.00 0.00 C ATOM 1229 C GLN A 80 8.680 -6.885 11.134 1.00 0.00 C ATOM 1230 O GLN A 80 9.749 -7.420 10.827 1.00 0.00 O ATOM 1231 CB GLN A 80 8.083 -6.355 13.543 1.00 0.00 C ATOM 1232 CG GLN A 80 9.062 -7.209 14.377 1.00 0.00 C ATOM 1233 CD GLN A 80 9.439 -8.556 13.782 1.00 0.00 C ATOM 1234 OE1 GLN A 80 8.658 -9.185 13.069 1.00 0.00 O ATOM 1235 NE2 GLN A 80 10.628 -9.012 14.081 1.00 0.00 N ATOM 0 H GLN A 80 6.751 -4.940 11.867 1.00 0.00 H new ATOM 0 HA GLN A 80 9.625 -5.410 12.366 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.759 -5.513 14.155 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.198 -6.957 13.335 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.975 -6.634 14.532 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.621 -7.378 15.359 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.250 -8.464 14.675 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.933 -9.916 13.720 1.00 0.00 H new ATOM 1244 N ALA A 81 7.535 -7.185 10.555 1.00 0.00 N ATOM 1245 CA ALA A 81 7.436 -8.262 9.606 1.00 0.00 C ATOM 1246 C ALA A 81 6.733 -7.827 8.345 1.00 0.00 C ATOM 1247 O ALA A 81 5.754 -7.087 8.386 1.00 0.00 O ATOM 1248 CB ALA A 81 6.717 -9.451 10.230 1.00 0.00 C ATOM 0 H ALA A 81 6.659 -6.692 10.730 1.00 0.00 H new ATOM 0 HA ALA A 81 8.449 -8.561 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.649 -10.259 9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.273 -9.795 11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.714 -9.151 10.534 1.00 0.00 H new ATOM 1254 N MET A 82 7.237 -8.277 7.241 1.00 0.00 N ATOM 1255 CA MET A 82 6.650 -8.008 5.971 1.00 0.00 C ATOM 1256 C MET A 82 5.753 -9.154 5.558 1.00 0.00 C ATOM 1257 O MET A 82 5.960 -10.290 6.005 1.00 0.00 O ATOM 1258 CB MET A 82 7.714 -7.770 4.932 1.00 0.00 C ATOM 1259 CG MET A 82 8.435 -6.466 5.142 1.00 0.00 C ATOM 1260 SD MET A 82 9.574 -6.431 6.566 1.00 0.00 S ATOM 1261 CE MET A 82 10.731 -7.735 6.131 1.00 0.00 C ATOM 0 H MET A 82 8.080 -8.850 7.197 1.00 0.00 H new ATOM 0 HA MET A 82 6.047 -7.104 6.053 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.433 -8.589 4.957 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.259 -7.776 3.941 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.999 -6.232 4.239 1.00 0.00 H new ATOM 0 HG3 MET A 82 7.695 -5.676 5.269 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.740 -7.434 6.411 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.465 -8.649 6.661 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.691 -7.914 5.056 1.00 0.00 H new ATOM 1271 N PRO A 83 4.735 -8.913 4.730 1.00 0.00 N ATOM 1272 CA PRO A 83 4.409 -7.604 4.200 1.00 0.00 C ATOM 1273 C PRO A 83 3.440 -6.857 5.103 1.00 0.00 C ATOM 1274 O PRO A 83 2.723 -7.460 5.908 1.00 0.00 O ATOM 1275 CB PRO A 83 3.746 -7.937 2.868 1.00 0.00 C ATOM 1276 CG PRO A 83 3.062 -9.244 3.102 1.00 0.00 C ATOM 1277 CD PRO A 83 3.804 -9.936 4.228 1.00 0.00 C ATOM 0 HA PRO A 83 5.281 -6.955 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.035 -7.165 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.482 -8.013 2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.016 -9.090 3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.076 -9.854 2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.121 -10.270 5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.336 -10.818 3.871 1.00 0.00 H new ATOM 1285 N THR A 84 3.456 -5.577 5.021 1.00 0.00 N ATOM 1286 CA THR A 84 2.543 -4.793 5.755 1.00 0.00 C ATOM 1287 C THR A 84 1.706 -3.974 4.790 1.00 0.00 C ATOM 1288 O THR A 84 2.239 -3.243 3.967 1.00 0.00 O ATOM 1289 CB THR A 84 3.282 -3.876 6.725 1.00 0.00 C ATOM 1290 OG1 THR A 84 4.110 -4.659 7.594 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.327 -3.023 7.556 1.00 0.00 C ATOM 0 H THR A 84 4.105 -5.046 4.441 1.00 0.00 H new ATOM 0 HA THR A 84 1.894 -5.447 6.338 1.00 0.00 H new ATOM 0 HB THR A 84 3.895 -3.198 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.857 -5.035 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.900 -2.388 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.726 -2.400 6.894 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.672 -3.672 8.137 1.00 0.00 H new ATOM 1299 N PHE A 85 0.419 -4.099 4.894 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.475 -3.360 4.093 1.00 0.00 C ATOM 1301 C PHE A 85 -1.054 -2.314 4.965 1.00 0.00 C ATOM 1302 O PHE A 85 -1.641 -2.625 5.996 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.598 -4.256 3.591 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.171 -5.387 2.713 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.788 -6.603 3.260 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -1.165 -5.243 1.337 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.406 -7.648 2.448 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.783 -6.284 0.525 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.403 -7.485 1.078 1.00 0.00 C ATOM 0 H PHE A 85 -0.036 -4.731 5.553 1.00 0.00 H new ATOM 0 HA PHE A 85 0.041 -2.937 3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.125 -4.666 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.312 -3.642 3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.789 -6.731 4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.463 -4.303 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.110 -8.592 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.781 -6.159 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.102 -8.302 0.439 1.00 0.00 H new ATOM 1319 N MET A 86 -0.890 -1.100 4.615 1.00 0.00 N ATOM 1320 CA MET A 86 -1.404 -0.073 5.444 1.00 0.00 C ATOM 1321 C MET A 86 -2.366 0.767 4.668 1.00 0.00 C ATOM 1322 O MET A 86 -2.036 1.322 3.610 1.00 0.00 O ATOM 1323 CB MET A 86 -0.260 0.695 6.109 1.00 0.00 C ATOM 1324 CG MET A 86 -0.656 1.698 7.184 1.00 0.00 C ATOM 1325 SD MET A 86 0.766 2.113 8.207 1.00 0.00 S ATOM 1326 CE MET A 86 -0.005 3.016 9.526 1.00 0.00 C ATOM 0 H MET A 86 -0.410 -0.789 3.771 1.00 0.00 H new ATOM 0 HA MET A 86 -1.980 -0.491 6.270 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.426 -0.028 6.551 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.293 1.225 5.333 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.054 2.600 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.450 1.282 7.804 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.750 3.588 10.066 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.750 3.697 9.114 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.490 2.319 10.210 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.555 0.820 5.177 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.646 1.447 4.571 1.00 0.00 C ATOM 1338 C PHE A 87 -4.892 2.784 5.203 1.00 0.00 C ATOM 1339 O PHE A 87 -5.161 2.890 6.415 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.860 0.555 4.739 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.802 -0.746 3.973 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.077 -1.826 4.455 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.475 -0.882 2.770 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.022 -3.012 3.752 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.423 -2.067 2.063 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.697 -3.134 2.556 1.00 0.00 C ATOM 0 H PHE A 87 -3.785 0.398 6.077 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.444 1.607 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.985 0.331 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.745 1.107 4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.549 -1.737 5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.047 -0.052 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.451 -3.844 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.950 -2.160 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.658 -4.062 2.005 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.782 3.798 4.414 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.995 5.121 4.871 1.00 0.00 C ATOM 1358 C LEU A 88 -6.060 5.757 3.984 1.00 0.00 C ATOM 1359 O LEU A 88 -6.363 5.246 2.916 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.710 6.000 4.767 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.409 5.550 5.474 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.755 4.369 4.778 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.437 6.709 5.568 1.00 0.00 C ATOM 0 H LEU A 88 -4.539 3.727 3.426 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.292 5.071 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.481 6.116 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.962 6.989 5.149 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.681 5.223 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.846 4.090 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.444 3.525 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.505 4.644 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.526 6.380 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.194 7.063 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.891 7.519 6.139 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.612 6.846 4.413 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.522 7.598 3.588 1.00 0.00 C ATOM 1377 C LYS A 89 -7.126 9.044 3.666 1.00 0.00 C ATOM 1378 O LYS A 89 -6.987 9.579 4.749 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.988 7.408 3.992 1.00 0.00 C ATOM 1380 CG LYS A 89 -9.953 8.153 3.076 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.421 8.012 3.475 1.00 0.00 C ATOM 1382 CE LYS A 89 -11.924 6.584 3.352 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.374 6.484 3.641 1.00 0.00 N ATOM 0 H LYS A 89 -6.451 7.243 5.338 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.452 7.232 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.229 6.345 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.126 7.754 5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.689 9.210 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.827 7.787 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.549 8.351 4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.029 8.663 2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.728 6.215 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.371 5.944 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.679 5.494 3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.558 6.812 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.904 7.075 2.969 1.00 0.00 H new ATOM 1397 N GLU A 90 -6.887 9.647 2.509 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.419 11.039 2.373 1.00 0.00 C ATOM 1399 C GLU A 90 -4.990 11.195 2.934 1.00 0.00 C ATOM 1400 O GLU A 90 -4.497 12.302 3.119 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.347 12.050 3.064 1.00 0.00 C ATOM 1402 CG GLU A 90 -8.795 12.035 2.614 1.00 0.00 C ATOM 1403 CD GLU A 90 -9.631 13.069 3.338 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -9.878 12.913 4.551 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -10.070 14.052 2.707 1.00 0.00 O ATOM 0 H GLU A 90 -7.013 9.179 1.612 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.425 11.257 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.319 11.865 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.947 13.051 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.842 12.220 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.217 11.045 2.786 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.340 10.075 3.172 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.019 10.081 3.781 1.00 0.00 C ATOM 1414 C GLY A 91 -3.106 9.976 5.299 1.00 0.00 C ATOM 1415 O GLY A 91 -2.096 10.041 5.999 1.00 0.00 O ATOM 0 H GLY A 91 -4.702 9.147 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.433 9.249 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.495 10.997 3.508 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.317 9.807 5.793 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.582 9.680 7.212 1.00 0.00 C ATOM 1421 C LYS A 92 -4.704 8.205 7.543 1.00 0.00 C ATOM 1422 O LYS A 92 -5.431 7.475 6.861 1.00 0.00 O ATOM 1423 CB LYS A 92 -5.897 10.377 7.521 1.00 0.00 C ATOM 1424 CG LYS A 92 -5.931 11.823 7.080 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.330 12.381 7.163 1.00 0.00 C ATOM 1426 CE LYS A 92 -7.372 13.798 6.655 1.00 0.00 C ATOM 1427 NZ LYS A 92 -8.751 14.315 6.576 1.00 0.00 N ATOM 0 H LYS A 92 -5.154 9.753 5.213 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.780 10.128 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.709 9.837 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.082 10.328 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.262 12.414 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.564 11.904 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.009 11.760 6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.678 12.350 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.782 14.437 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.910 13.844 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.734 15.354 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.188 14.003 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.304 13.953 7.379 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.015 7.778 8.570 1.00 0.00 N ATOM 1442 CA ILE A 93 -3.977 6.375 8.962 1.00 0.00 C ATOM 1443 C ILE A 93 -5.331 5.857 9.443 1.00 0.00 C ATOM 1444 O ILE A 93 -5.970 6.445 10.336 1.00 0.00 O ATOM 1445 CB ILE A 93 -2.885 6.131 10.041 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.498 6.400 9.446 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.965 4.704 10.601 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.371 6.410 10.460 1.00 0.00 C ATOM 0 H ILE A 93 -3.458 8.390 9.167 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.723 5.810 8.065 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.058 6.819 10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.286 5.641 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.517 7.361 8.933 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.189 4.564 11.353 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.943 4.546 11.055 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.820 3.987 9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.573 6.607 9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.555 7.189 11.200 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.320 5.441 10.957 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.775 4.781 8.825 1.00 0.00 N ATOM 1461 CA LEU A 94 -6.965 4.121 9.225 1.00 0.00 C ATOM 1462 C LEU A 94 -6.620 2.803 9.889 1.00 0.00 C ATOM 1463 O LEU A 94 -6.988 2.565 11.042 1.00 0.00 O ATOM 1464 CB LEU A 94 -7.899 3.907 8.039 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.425 5.173 7.345 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.388 4.809 6.237 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.091 6.118 8.340 1.00 0.00 C ATOM 0 H LEU A 94 -5.305 4.351 8.028 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.490 4.750 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.376 3.303 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.755 3.324 8.379 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.571 5.693 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.750 5.718 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.878 4.188 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.231 4.258 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.452 7.003 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.930 5.612 8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.368 6.416 9.099 1.00 0.00 H new ATOM 1479 N ASP A 95 -5.890 1.954 9.170 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.496 0.661 9.695 1.00 0.00 C ATOM 1481 C ASP A 95 -4.282 0.087 8.999 1.00 0.00 C ATOM 1482 O ASP A 95 -3.947 0.475 7.881 1.00 0.00 O ATOM 1483 CB ASP A 95 -6.628 -0.351 9.694 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.278 -0.588 8.354 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -6.719 -1.301 7.533 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -8.399 -0.076 8.132 1.00 0.00 O ATOM 0 H ASP A 95 -5.562 2.143 8.223 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.225 0.856 10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.245 -1.301 10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.392 -0.018 10.396 1.00 0.00 H new ATOM 1491 N LYS A 96 -3.607 -0.814 9.685 1.00 0.00 N ATOM 1492 CA LYS A 96 -2.409 -1.463 9.165 1.00 0.00 C ATOM 1493 C LYS A 96 -2.452 -2.984 9.393 1.00 0.00 C ATOM 1494 O LYS A 96 -2.815 -3.452 10.473 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.141 -0.855 9.808 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.114 -0.930 11.336 1.00 0.00 C ATOM 1497 CD LYS A 96 0.147 -0.307 11.939 1.00 0.00 C ATOM 1498 CE LYS A 96 1.420 -1.024 11.502 1.00 0.00 C ATOM 1499 NZ LYS A 96 2.618 -0.483 12.193 1.00 0.00 N ATOM 0 H LYS A 96 -3.870 -1.121 10.621 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.375 -1.287 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.265 -1.371 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.059 0.189 9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.991 -0.422 11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.182 -1.973 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.206 0.741 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.076 -0.331 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.328 -2.090 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.544 -0.921 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.439 -1.088 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.808 0.482 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.448 -0.463 13.219 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.078 -3.736 8.391 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.046 -5.192 8.469 1.00 0.00 C ATOM 1515 C VAL A 97 -0.606 -5.646 8.354 1.00 0.00 C ATOM 1516 O VAL A 97 0.045 -5.378 7.355 1.00 0.00 O ATOM 1517 CB VAL A 97 -2.849 -5.829 7.287 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -2.799 -7.351 7.329 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.287 -5.343 7.276 1.00 0.00 C ATOM 0 H VAL A 97 -1.783 -3.364 7.488 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.490 -5.503 9.414 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.371 -5.505 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.368 -7.757 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.763 -7.683 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.230 -7.703 8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.820 -5.803 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.771 -5.618 8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.304 -4.259 7.163 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.114 -6.316 9.367 1.00 0.00 N ATOM 1530 CA VAL A 98 1.242 -6.794 9.369 1.00 0.00 C ATOM 1531 C VAL A 98 1.290 -8.330 9.254 1.00 0.00 C ATOM 1532 O VAL A 98 0.789 -9.068 10.128 1.00 0.00 O ATOM 1533 CB VAL A 98 2.035 -6.266 10.614 1.00 0.00 C ATOM 1534 CG1 VAL A 98 1.409 -6.698 11.931 1.00 0.00 C ATOM 1535 CG2 VAL A 98 3.500 -6.650 10.552 1.00 0.00 C ATOM 0 H VAL A 98 -0.642 -6.544 10.209 1.00 0.00 H new ATOM 0 HA VAL A 98 1.741 -6.392 8.487 1.00 0.00 H new ATOM 0 HB VAL A 98 1.974 -5.178 10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.998 -6.305 12.760 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.391 -6.312 11.994 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.388 -7.787 11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.015 -6.265 11.433 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.591 -7.736 10.524 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.950 -6.225 9.655 1.00 0.00 H new ATOM 1545 N GLY A 99 1.851 -8.798 8.173 1.00 0.00 N ATOM 1546 CA GLY A 99 1.925 -10.206 7.917 1.00 0.00 C ATOM 1547 C GLY A 99 0.995 -10.574 6.797 1.00 0.00 C ATOM 1548 O GLY A 99 -0.010 -9.893 6.581 1.00 0.00 O ATOM 0 H GLY A 99 2.268 -8.214 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.947 -10.484 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.662 -10.762 8.817 1.00 0.00 H new ATOM 1552 N ALA A 100 1.294 -11.627 6.078 1.00 0.00 N ATOM 1553 CA ALA A 100 0.457 -11.977 4.969 1.00 0.00 C ATOM 1554 C ALA A 100 -0.655 -12.897 5.416 1.00 0.00 C ATOM 1555 O ALA A 100 -0.436 -14.077 5.739 1.00 0.00 O ATOM 1556 CB ALA A 100 1.279 -12.622 3.862 1.00 0.00 C ATOM 0 H ALA A 100 2.092 -12.241 6.238 1.00 0.00 H new ATOM 0 HA ALA A 100 0.008 -11.066 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.627 -12.881 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.043 -11.923 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.757 -13.525 4.243 1.00 0.00 H new ATOM 1562 N LYS A 101 -1.832 -12.352 5.442 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.013 -13.073 5.743 1.00 0.00 C ATOM 1564 C LYS A 101 -3.976 -12.849 4.621 1.00 0.00 C ATOM 1565 O LYS A 101 -4.293 -11.706 4.315 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.651 -12.563 7.016 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.817 -12.637 8.282 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.641 -12.208 9.418 1.00 0.00 C ATOM 1569 CE LYS A 101 -2.900 -12.141 10.725 1.00 0.00 C ATOM 1570 NZ LYS A 101 -3.822 -11.755 11.819 1.00 0.00 N ATOM 0 H LYS A 101 -1.994 -11.364 5.248 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.768 -14.127 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.937 -11.523 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.570 -13.124 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.459 -13.654 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.937 -12.000 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.059 -11.225 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.481 -12.895 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.448 -13.108 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.087 -11.419 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.333 -11.843 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.128 -10.770 11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.653 -12.380 11.809 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.432 -13.896 4.008 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.364 -13.774 2.939 1.00 0.00 C ATOM 1586 C LYS A 102 -6.728 -13.292 3.462 1.00 0.00 C ATOM 1587 O LYS A 102 -7.296 -12.328 2.948 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.488 -15.105 2.204 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.449 -15.071 1.039 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.498 -16.396 0.280 1.00 0.00 C ATOM 1591 CE LYS A 102 -5.169 -16.716 -0.406 1.00 0.00 C ATOM 1592 NZ LYS A 102 -5.212 -18.007 -1.142 1.00 0.00 N ATOM 0 H LYS A 102 -4.168 -14.855 4.236 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.001 -13.027 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.504 -15.403 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.813 -15.870 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.447 -14.828 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.157 -14.275 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.751 -17.200 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.291 -16.356 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.918 -15.913 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.376 -16.752 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.290 -18.182 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.426 -18.778 -0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.950 -17.965 -1.873 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.214 -13.930 4.517 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.533 -13.610 5.068 1.00 0.00 C ATOM 1608 C ASP A 103 -8.581 -12.253 5.768 1.00 0.00 C ATOM 1609 O ASP A 103 -9.533 -11.494 5.584 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.044 -14.715 5.992 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.370 -14.368 6.636 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.436 -14.599 6.010 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.371 -13.865 7.767 1.00 0.00 O ATOM 0 H ASP A 103 -6.719 -14.672 5.012 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.201 -13.544 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.151 -15.639 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.305 -14.904 6.770 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.567 -11.934 6.561 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.542 -10.637 7.259 1.00 0.00 C ATOM 1620 C GLU A 104 -7.432 -9.500 6.251 1.00 0.00 C ATOM 1621 O GLU A 104 -7.999 -8.413 6.453 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.411 -10.572 8.288 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.358 -9.278 9.103 1.00 0.00 C ATOM 1624 CD GLU A 104 -5.220 -9.260 10.105 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -4.102 -8.911 9.740 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -5.432 -9.597 11.288 1.00 0.00 O ATOM 0 H GLU A 104 -6.763 -12.535 6.741 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.479 -10.529 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.514 -11.413 8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.460 -10.698 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.252 -8.431 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.303 -9.148 9.631 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.731 -9.758 5.156 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.614 -8.791 4.092 1.00 0.00 C ATOM 1635 C LEU A 105 -7.983 -8.553 3.515 1.00 0.00 C ATOM 1636 O LEU A 105 -8.454 -7.429 3.464 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.698 -9.312 3.003 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.401 -8.355 1.850 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.736 -7.080 2.357 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.527 -9.036 0.817 1.00 0.00 C ATOM 0 H LEU A 105 -6.236 -10.634 4.988 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.196 -7.865 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.752 -9.599 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.140 -10.218 2.589 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.346 -8.078 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.535 -6.416 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.398 -6.581 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.799 -7.331 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.322 -8.344 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.588 -9.340 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.041 -9.915 0.428 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.630 -9.640 3.127 1.00 0.00 N ATOM 1653 CA GLN A 106 -9.993 -9.596 2.580 1.00 0.00 C ATOM 1654 C GLN A 106 -10.975 -8.931 3.538 1.00 0.00 C ATOM 1655 O GLN A 106 -11.868 -8.195 3.105 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.490 -10.991 2.202 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.734 -11.632 1.055 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.803 -10.815 -0.225 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.780 -10.100 -0.485 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.789 -10.911 -1.028 1.00 0.00 N ATOM 0 H GLN A 106 -8.234 -10.579 3.179 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.943 -8.988 1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.419 -11.639 3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.545 -10.929 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.690 -11.763 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.140 -12.626 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.000 -11.509 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.781 -10.388 -1.904 1.00 0.00 H new ATOM 1669 N SER A 107 -10.797 -9.169 4.831 1.00 0.00 N ATOM 1670 CA SER A 107 -11.651 -8.562 5.844 1.00 0.00 C ATOM 1671 C SER A 107 -11.430 -7.051 5.861 1.00 0.00 C ATOM 1672 O SER A 107 -12.374 -6.269 5.964 1.00 0.00 O ATOM 1673 CB SER A 107 -11.362 -9.167 7.228 1.00 0.00 C ATOM 1674 OG SER A 107 -11.507 -10.590 7.214 1.00 0.00 O ATOM 0 H SER A 107 -10.069 -9.778 5.203 1.00 0.00 H new ATOM 0 HA SER A 107 -12.693 -8.766 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.350 -8.906 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.041 -8.737 7.964 1.00 0.00 H new ATOM 0 HG SER A 107 -10.747 -10.992 6.743 1.00 0.00 H new ATOM 1680 N THR A 108 -10.184 -6.655 5.722 1.00 0.00 N ATOM 1681 CA THR A 108 -9.819 -5.267 5.683 1.00 0.00 C ATOM 1682 C THR A 108 -10.329 -4.622 4.383 1.00 0.00 C ATOM 1683 O THR A 108 -10.764 -3.465 4.376 1.00 0.00 O ATOM 1684 CB THR A 108 -8.294 -5.114 5.806 1.00 0.00 C ATOM 1685 OG1 THR A 108 -7.860 -5.716 7.049 1.00 0.00 O ATOM 1686 CG2 THR A 108 -7.894 -3.655 5.786 1.00 0.00 C ATOM 0 H THR A 108 -9.395 -7.295 5.633 1.00 0.00 H new ATOM 0 HA THR A 108 -10.283 -4.755 6.526 1.00 0.00 H new ATOM 0 HB THR A 108 -7.821 -5.611 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.854 -6.692 6.955 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.811 -3.573 5.874 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.217 -3.202 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.366 -3.137 6.621 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.303 -5.384 3.302 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.820 -4.909 2.038 1.00 0.00 C ATOM 1696 C ILE A 109 -12.309 -4.630 2.176 1.00 0.00 C ATOM 1697 O ILE A 109 -12.774 -3.567 1.796 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.586 -5.914 0.871 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.090 -6.237 0.705 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.153 -5.353 -0.428 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.212 -5.035 0.424 1.00 0.00 C ATOM 0 H ILE A 109 -9.929 -6.333 3.279 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.277 -3.997 1.789 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.105 -6.841 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.735 -6.726 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.975 -6.953 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.983 -6.064 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.223 -5.182 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.658 -4.411 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.176 -5.357 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.536 -4.556 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.292 -4.326 1.248 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.035 -5.570 2.776 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.475 -5.421 2.972 1.00 0.00 C ATOM 1715 C ALA A 110 -14.780 -4.290 3.942 1.00 0.00 C ATOM 1716 O ALA A 110 -15.792 -3.621 3.819 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.101 -6.725 3.436 1.00 0.00 C ATOM 0 H ALA A 110 -12.650 -6.443 3.135 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.918 -5.163 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.173 -6.585 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.929 -7.498 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.650 -7.029 4.381 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.887 -4.082 4.893 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.008 -2.996 5.864 1.00 0.00 C ATOM 1725 C LYS A 111 -14.035 -1.660 5.147 1.00 0.00 C ATOM 1726 O LYS A 111 -14.857 -0.791 5.428 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.788 -3.001 6.740 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.780 -1.952 7.836 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.436 -1.914 8.526 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.396 -0.836 9.584 1.00 0.00 C ATOM 1731 NZ LYS A 111 -10.057 -0.705 10.174 1.00 0.00 N ATOM 0 H LYS A 111 -13.055 -4.659 5.019 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.922 -3.136 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.693 -3.985 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.908 -2.856 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.005 -0.973 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.562 -2.172 8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.231 -2.883 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.652 -1.735 7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.695 0.116 9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.118 -1.067 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.122 -0.181 11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.663 -1.650 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.437 -0.190 9.517 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.130 -1.524 4.207 1.00 0.00 N ATOM 1746 CA HIS A 112 -12.982 -0.312 3.454 1.00 0.00 C ATOM 1747 C HIS A 112 -13.946 -0.226 2.292 1.00 0.00 C ATOM 1748 O HIS A 112 -14.188 0.863 1.773 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.548 -0.158 2.954 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.537 0.158 4.016 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.130 1.435 4.302 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.847 -0.640 4.848 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.239 1.413 5.257 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.046 0.167 5.612 1.00 0.00 N ATOM 0 H HIS A 112 -12.473 -2.259 3.945 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.219 0.506 4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.252 -1.081 2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.524 0.632 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.912 -1.717 4.904 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.746 2.275 5.681 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.404 -0.150 6.338 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.487 -1.353 1.870 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.361 -1.382 0.766 1.00 0.00 C ATOM 1765 C LEU A 113 -16.708 -0.782 1.163 1.00 0.00 C ATOM 1766 O LEU A 113 -17.388 -1.279 2.075 1.00 0.00 O ATOM 1767 CB LEU A 113 -15.514 -2.823 0.342 1.00 0.00 C ATOM 1768 CG LEU A 113 -15.953 -3.120 -1.087 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -17.343 -2.581 -1.424 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -14.916 -2.632 -2.086 1.00 0.00 C ATOM 0 H LEU A 113 -14.318 -2.263 2.299 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.967 -0.794 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.557 -3.319 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.234 -3.291 1.014 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.029 -4.205 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.589 -2.829 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -18.079 -3.031 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.354 -1.498 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -15.253 -2.856 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.784 -1.556 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.967 -3.135 -1.900 1.00 0.00 H new