USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 855 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 88 HIS : no HE2:sc= -0.768! C(o=0.038!,f=-16!) USER MOD Set 1.2: A 106 TYR OH : rot 130:sc= 0.806 USER MOD Set 2.1: A 71 HIS : no HD1:sc= -7.58! C(o=-7.6!,f=-14!) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 60 SER OG : rot 68:sc= 0.0302 USER MOD Set 3.2: A 72 HIS : no HD1:sc= -6.56! C(o=-6.5!,f=-22!) USER MOD Set 4.1: A 21 ASN : amide:sc= -4.15! C(o=-3!,f=-12!) USER MOD Set 4.2: A 115 TYR OH : rot 8:sc= 1.14 USER MOD Set 5.1: A 9 GLN : amide:sc= -2.09! C(o=-5.3!,f=-14!) USER MOD Set 5.2: A 99 GLN : amide:sc= -3.2! C(o=-5.3!,f=-17!) USER MOD Single : A 5 SER OG : rot -14:sc= 0.567 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 12 ASN : amide:sc= -0.89 X(o=-0.89,f=-1.1) USER MOD Single : A 16 SER OG : rot -112:sc= 1.09 USER MOD Single : A 17 MET CE :methyl -115:sc= -0.694 (180deg=-0.8) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0.0969 (180deg=-0.332) USER MOD Single : A 22 LYS NZ :NH3+ -108:sc= -3.04! (180deg=-7.55!) USER MOD Single : A 26 SER OG : rot 99:sc= 1.1 USER MOD Single : A 29 GLN : amide:sc= 0.687 K(o=0.69,f=-0.73) USER MOD Single : A 30 CYS SG : rot -50:sc= 0.6 USER MOD Single : A 35 THR OG1 : rot -108:sc= 0.7 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= 0.366 (180deg=-1.19!) USER MOD Single : A 43 TYR OH : rot 148:sc= 1.26 USER MOD Single : A 61 THR OG1 : rot 9:sc= -1.25! USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.237 (180deg=-0.947!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0.759 (180deg=0.626!) USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000642 USER MOD Single : A 74 MET CE :methyl 144:sc= -1.31 (180deg=-4.65!) USER MOD Single : A 77 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-5.7!) USER MOD Single : A 80 SER OG : rot 75:sc= -0.36 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= -2.84! (180deg=-3.34!) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 0.803 (180deg=0.0906) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= 0.832 (180deg=0.74) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 0.811 (180deg=0.569) USER MOD Single : A 94 SER OG : rot 150:sc= 0.704! USER MOD Single : A 104 ASN : amide:sc= -3.43! C(o=-3.4!,f=-8.3!) USER MOD Single : A 105 MET CE :methyl 150:sc= -4.03 (180deg=-7.34!) USER MOD Single : A 113 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.447) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= -0.653 (180deg=-1.54!) USER MOD Single : A 121 LYS NZ :NH3+ -141:sc= -0.105 (180deg=-3.62!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.539 -1.802 16.693 1.00 0.00 N ATOM 43 CA SER A 5 0.967 -0.758 15.820 1.00 0.00 C ATOM 44 C SER A 5 1.776 -0.483 14.543 1.00 0.00 C ATOM 45 O SER A 5 1.385 0.365 13.747 1.00 0.00 O ATOM 46 CB SER A 5 0.755 0.549 16.603 1.00 0.00 C ATOM 47 OG SER A 5 1.742 0.660 17.634 1.00 0.00 O ATOM 0 HA SER A 5 0.008 -1.155 15.487 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.822 1.403 15.929 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.244 0.565 17.039 1.00 0.00 H new ATOM 0 HG SER A 5 2.186 -0.205 17.756 1.00 0.00 H new ATOM 53 N GLY A 6 2.893 -1.164 14.355 1.00 0.00 N ATOM 54 CA GLY A 6 3.748 -0.891 13.207 1.00 0.00 C ATOM 55 C GLY A 6 3.002 -1.083 11.900 1.00 0.00 C ATOM 56 O GLY A 6 2.901 -0.152 11.100 1.00 0.00 O ATOM 0 H GLY A 6 3.229 -1.903 14.973 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.123 0.131 13.266 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.615 -1.551 13.233 1.00 0.00 H new ATOM 60 N ASP A 7 2.396 -2.254 11.724 1.00 0.00 N ATOM 61 CA ASP A 7 1.611 -2.523 10.517 1.00 0.00 C ATOM 62 C ASP A 7 0.454 -1.548 10.406 1.00 0.00 C ATOM 63 O ASP A 7 0.229 -0.946 9.357 1.00 0.00 O ATOM 64 CB ASP A 7 1.067 -3.956 10.524 1.00 0.00 C ATOM 65 CG ASP A 7 0.175 -4.159 9.335 1.00 0.00 C ATOM 66 OD1 ASP A 7 0.693 -4.235 8.244 1.00 0.00 O ATOM 67 OD2 ASP A 7 -1.011 -4.258 9.537 1.00 0.00 O ATOM 0 H ASP A 7 2.430 -3.025 12.391 1.00 0.00 H new ATOM 0 HA ASP A 7 2.272 -2.400 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.891 -4.669 10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.512 -4.141 11.444 1.00 0.00 H new ATOM 72 N THR A 8 -0.233 -1.340 11.513 1.00 0.00 N ATOM 73 CA THR A 8 -1.343 -0.410 11.546 1.00 0.00 C ATOM 74 C THR A 8 -0.842 0.979 11.173 1.00 0.00 C ATOM 75 O THR A 8 -1.407 1.658 10.299 1.00 0.00 O ATOM 76 CB THR A 8 -1.928 -0.387 12.958 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.078 -1.724 13.423 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.287 0.311 12.952 1.00 0.00 C ATOM 0 H THR A 8 -0.041 -1.803 12.401 1.00 0.00 H new ATOM 0 HA THR A 8 -2.112 -0.718 10.838 1.00 0.00 H new ATOM 0 HB THR A 8 -1.255 0.160 13.619 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.451 -1.715 14.329 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.695 0.322 13.963 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.169 1.335 12.597 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.968 -0.225 12.291 1.00 0.00 H new ATOM 86 N GLN A 9 0.268 1.363 11.773 1.00 0.00 N ATOM 87 CA GLN A 9 0.876 2.627 11.460 1.00 0.00 C ATOM 88 C GLN A 9 1.299 2.650 10.013 1.00 0.00 C ATOM 89 O GLN A 9 1.012 3.600 9.298 1.00 0.00 O ATOM 90 CB GLN A 9 2.087 2.871 12.358 1.00 0.00 C ATOM 91 CG GLN A 9 1.668 3.675 13.589 1.00 0.00 C ATOM 92 CD GLN A 9 1.930 5.153 13.341 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.928 5.695 13.805 1.00 0.00 O ATOM 94 NE2 GLN A 9 1.111 5.835 12.610 1.00 0.00 N ATOM 0 H GLN A 9 0.761 0.814 12.477 1.00 0.00 H new ATOM 0 HA GLN A 9 0.146 3.418 11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.521 1.919 12.665 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.857 3.409 11.806 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.611 3.512 13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.224 3.338 14.464 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.280 5.388 12.222 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.296 6.820 12.421 1.00 0.00 H new ATOM 103 N LEU A 10 1.938 1.588 9.565 1.00 0.00 N ATOM 104 CA LEU A 10 2.376 1.537 8.186 1.00 0.00 C ATOM 105 C LEU A 10 1.180 1.603 7.270 1.00 0.00 C ATOM 106 O LEU A 10 1.167 2.385 6.316 1.00 0.00 O ATOM 107 CB LEU A 10 3.216 0.284 7.900 1.00 0.00 C ATOM 108 CG LEU A 10 4.579 0.340 8.642 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.674 -0.272 7.768 1.00 0.00 C ATOM 110 CD2 LEU A 10 4.963 1.784 9.010 1.00 0.00 C ATOM 0 H LEU A 10 2.162 0.764 10.123 1.00 0.00 H new ATOM 0 HA LEU A 10 3.017 2.399 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.666 -0.604 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.386 0.194 6.827 1.00 0.00 H new ATOM 0 HG LEU A 10 4.479 -0.232 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.627 -0.229 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.427 -1.311 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.750 0.287 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.922 1.785 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.040 2.383 8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.199 2.209 9.661 1.00 0.00 H new ATOM 122 N PHE A 11 0.127 0.888 7.625 1.00 0.00 N ATOM 123 CA PHE A 11 -1.108 0.972 6.869 1.00 0.00 C ATOM 124 C PHE A 11 -1.630 2.399 6.868 1.00 0.00 C ATOM 125 O PHE A 11 -1.911 2.963 5.809 1.00 0.00 O ATOM 126 CB PHE A 11 -2.161 0.042 7.482 1.00 0.00 C ATOM 127 CG PHE A 11 -3.509 0.320 6.854 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.815 -0.183 5.586 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.448 1.098 7.544 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.059 0.092 5.009 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.690 1.370 6.968 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.996 0.869 5.703 1.00 0.00 C ATOM 0 H PHE A 11 0.102 0.251 8.421 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.908 0.666 5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.880 -0.999 7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.212 0.194 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.092 -0.783 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.211 1.488 8.523 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.297 -0.294 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.414 1.968 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.957 1.080 5.257 1.00 0.00 H new ATOM 142 N ASN A 12 -1.705 2.999 8.051 1.00 0.00 N ATOM 143 CA ASN A 12 -2.200 4.373 8.173 1.00 0.00 C ATOM 144 C ASN A 12 -1.293 5.314 7.422 1.00 0.00 C ATOM 145 O ASN A 12 -1.746 6.205 6.692 1.00 0.00 O ATOM 146 CB ASN A 12 -2.189 4.790 9.643 1.00 0.00 C ATOM 147 CG ASN A 12 -3.219 4.010 10.437 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.293 3.670 9.921 1.00 0.00 O ATOM 149 ND2 ASN A 12 -2.954 3.686 11.660 1.00 0.00 N ATOM 0 H ASN A 12 -1.433 2.564 8.933 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.211 4.416 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.198 4.624 10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.395 5.857 9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.630 3.149 12.203 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.069 3.967 12.082 1.00 0.00 H new ATOM 156 N ARG A 13 -0.011 5.126 7.618 1.00 0.00 N ATOM 157 CA ARG A 13 0.985 5.954 6.991 1.00 0.00 C ATOM 158 C ARG A 13 0.956 5.741 5.489 1.00 0.00 C ATOM 159 O ARG A 13 0.978 6.688 4.719 1.00 0.00 O ATOM 160 CB ARG A 13 2.349 5.568 7.553 1.00 0.00 C ATOM 161 CG ARG A 13 2.437 6.014 9.026 1.00 0.00 C ATOM 162 CD ARG A 13 3.738 5.491 9.632 1.00 0.00 C ATOM 163 NE ARG A 13 3.859 5.858 11.040 1.00 0.00 N ATOM 164 CZ ARG A 13 4.320 7.036 11.440 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.680 7.927 10.564 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.406 7.294 12.710 1.00 0.00 N ATOM 0 H ARG A 13 0.370 4.394 8.217 1.00 0.00 H new ATOM 0 HA ARG A 13 0.786 7.007 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.494 4.490 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.141 6.038 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.402 7.101 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.582 5.633 9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.776 4.406 9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.586 5.892 9.077 1.00 0.00 H new ATOM 0 HE ARG A 13 3.577 5.179 11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.608 7.721 9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.034 8.832 10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.120 6.593 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.760 8.198 13.024 1.00 0.00 H new ATOM 180 N ALA A 14 0.864 4.488 5.079 1.00 0.00 N ATOM 181 CA ALA A 14 0.814 4.157 3.660 1.00 0.00 C ATOM 182 C ALA A 14 -0.485 4.624 3.029 1.00 0.00 C ATOM 183 O ALA A 14 -0.480 5.237 1.958 1.00 0.00 O ATOM 184 CB ALA A 14 0.967 2.651 3.453 1.00 0.00 C ATOM 0 H ALA A 14 0.822 3.683 5.704 1.00 0.00 H new ATOM 0 HA ALA A 14 1.642 4.675 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.927 2.424 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.924 2.323 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.159 2.129 3.966 1.00 0.00 H new ATOM 190 N VAL A 15 -1.597 4.286 3.664 1.00 0.00 N ATOM 191 CA VAL A 15 -2.899 4.610 3.120 1.00 0.00 C ATOM 192 C VAL A 15 -3.109 6.116 3.022 1.00 0.00 C ATOM 193 O VAL A 15 -3.636 6.621 2.023 1.00 0.00 O ATOM 194 CB VAL A 15 -4.024 3.934 3.933 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.374 4.763 5.175 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.267 3.791 3.061 1.00 0.00 C ATOM 0 H VAL A 15 -1.620 3.789 4.554 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.939 4.214 2.105 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.675 2.952 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.169 4.267 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.492 4.859 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.710 5.754 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.061 3.314 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.598 4.777 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.032 3.180 2.190 1.00 0.00 H new ATOM 206 N SER A 16 -2.686 6.840 4.037 1.00 0.00 N ATOM 207 CA SER A 16 -2.876 8.268 4.040 1.00 0.00 C ATOM 208 C SER A 16 -2.184 8.893 2.856 1.00 0.00 C ATOM 209 O SER A 16 -2.730 9.779 2.191 1.00 0.00 O ATOM 210 CB SER A 16 -2.334 8.863 5.332 1.00 0.00 C ATOM 211 OG SER A 16 -1.047 8.307 5.604 1.00 0.00 O ATOM 0 H SER A 16 -2.214 6.465 4.860 1.00 0.00 H new ATOM 0 HA SER A 16 -3.944 8.477 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.263 9.947 5.245 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.015 8.653 6.157 1.00 0.00 H new ATOM 0 HG SER A 16 -1.098 7.739 6.401 1.00 0.00 H new ATOM 217 N MET A 17 -0.964 8.468 2.613 1.00 0.00 N ATOM 218 CA MET A 17 -0.196 9.036 1.535 1.00 0.00 C ATOM 219 C MET A 17 -0.818 8.710 0.188 1.00 0.00 C ATOM 220 O MET A 17 -0.902 9.570 -0.691 1.00 0.00 O ATOM 221 CB MET A 17 1.252 8.560 1.590 1.00 0.00 C ATOM 222 CG MET A 17 1.873 9.040 2.905 1.00 0.00 C ATOM 223 SD MET A 17 3.671 8.785 2.864 1.00 0.00 S ATOM 224 CE MET A 17 3.669 6.979 3.004 1.00 0.00 C ATOM 0 H MET A 17 -0.489 7.738 3.143 1.00 0.00 H new ATOM 0 HA MET A 17 -0.204 10.119 1.655 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.296 7.473 1.525 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.812 8.953 0.741 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.649 10.096 3.060 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.438 8.496 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.134 6.687 3.946 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.643 6.613 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.229 6.549 2.174 1.00 0.00 H new ATOM 234 N VAL A 18 -1.239 7.463 0.018 1.00 0.00 N ATOM 235 CA VAL A 18 -1.835 7.039 -1.240 1.00 0.00 C ATOM 236 C VAL A 18 -3.228 7.609 -1.461 1.00 0.00 C ATOM 237 O VAL A 18 -3.536 8.065 -2.556 1.00 0.00 O ATOM 238 CB VAL A 18 -1.819 5.518 -1.405 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.371 5.030 -1.454 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.537 4.850 -0.235 1.00 0.00 C ATOM 0 H VAL A 18 -1.179 6.734 0.729 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.201 7.458 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.332 5.257 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.356 3.946 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.141 5.494 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.136 5.302 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.518 3.768 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.036 5.112 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.571 5.193 -0.199 1.00 0.00 H new ATOM 250 N GLU A 19 -4.062 7.621 -0.416 1.00 0.00 N ATOM 251 CA GLU A 19 -5.409 8.148 -0.578 1.00 0.00 C ATOM 252 C GLU A 19 -5.337 9.607 -0.968 1.00 0.00 C ATOM 253 O GLU A 19 -6.265 10.134 -1.568 1.00 0.00 O ATOM 254 CB GLU A 19 -6.218 8.077 0.723 1.00 0.00 C ATOM 255 CG GLU A 19 -6.573 6.645 1.140 1.00 0.00 C ATOM 256 CD GLU A 19 -7.379 6.708 2.445 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.529 7.804 2.980 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.835 5.680 2.898 1.00 0.00 O ATOM 0 H GLU A 19 -3.834 7.283 0.519 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.895 7.542 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.648 8.550 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.137 8.651 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.154 6.155 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.667 6.055 1.281 1.00 0.00 H new ATOM 265 N LYS A 20 -4.369 10.304 -0.394 1.00 0.00 N ATOM 266 CA LYS A 20 -4.318 11.752 -0.504 1.00 0.00 C ATOM 267 C LYS A 20 -3.403 12.217 -1.643 1.00 0.00 C ATOM 268 O LYS A 20 -3.465 13.381 -2.060 1.00 0.00 O ATOM 269 CB LYS A 20 -3.894 12.360 0.841 1.00 0.00 C ATOM 270 CG LYS A 20 -4.808 11.798 1.960 1.00 0.00 C ATOM 271 CD LYS A 20 -6.267 12.244 1.747 1.00 0.00 C ATOM 272 CE LYS A 20 -7.197 11.015 1.750 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.036 10.234 3.008 1.00 0.00 N ATOM 0 H LYS A 20 -3.611 9.892 0.150 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.318 12.107 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.852 12.120 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.970 13.447 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.753 10.709 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.455 12.143 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.563 12.937 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.359 12.778 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.233 11.337 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.973 10.381 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.633 9.384 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.041 9.953 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.321 10.819 3.819 1.00 0.00 H new ATOM 287 N ASN A 21 -2.640 11.293 -2.225 1.00 0.00 N ATOM 288 CA ASN A 21 -1.806 11.643 -3.377 1.00 0.00 C ATOM 289 C ASN A 21 -2.695 11.986 -4.558 1.00 0.00 C ATOM 290 O ASN A 21 -3.563 11.208 -4.932 1.00 0.00 O ATOM 291 CB ASN A 21 -0.853 10.502 -3.753 1.00 0.00 C ATOM 292 CG ASN A 21 0.115 10.983 -4.821 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.311 11.389 -5.895 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.392 10.982 -4.590 1.00 0.00 N ATOM 0 H ASN A 21 -2.580 10.319 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.197 12.506 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.304 10.168 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.420 9.646 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.039 11.319 -5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.748 10.644 -3.696 1.00 0.00 H new ATOM 301 N LYS A 22 -2.526 13.182 -5.086 1.00 0.00 N ATOM 302 CA LYS A 22 -3.379 13.686 -6.151 1.00 0.00 C ATOM 303 C LYS A 22 -3.372 12.745 -7.343 1.00 0.00 C ATOM 304 O LYS A 22 -4.413 12.489 -7.962 1.00 0.00 O ATOM 305 CB LYS A 22 -2.924 15.102 -6.569 1.00 0.00 C ATOM 306 CG LYS A 22 -1.550 15.059 -7.285 1.00 0.00 C ATOM 307 CD LYS A 22 -0.451 14.607 -6.311 1.00 0.00 C ATOM 308 CE LYS A 22 0.941 14.916 -6.894 1.00 0.00 C ATOM 309 NZ LYS A 22 1.037 14.429 -8.300 1.00 0.00 N ATOM 0 H LYS A 22 -1.797 13.832 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.401 13.743 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.668 15.546 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.859 15.741 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.596 14.376 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.309 16.045 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.573 15.114 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.543 13.538 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.126 15.990 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.711 14.442 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.655 13.594 -8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.089 14.174 -8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.433 15.180 -8.901 1.00 0.00 H new ATOM 323 N ASP A 23 -2.206 12.237 -7.661 1.00 0.00 N ATOM 324 CA ASP A 23 -2.054 11.322 -8.765 1.00 0.00 C ATOM 325 C ASP A 23 -2.836 10.064 -8.498 1.00 0.00 C ATOM 326 O ASP A 23 -3.668 9.648 -9.302 1.00 0.00 O ATOM 327 CB ASP A 23 -0.578 10.974 -8.908 1.00 0.00 C ATOM 328 CG ASP A 23 0.207 12.136 -9.465 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.400 13.124 -9.844 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.410 12.043 -9.492 1.00 0.00 O ATOM 0 H ASP A 23 -1.340 12.445 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.425 11.785 -9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.173 10.691 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.468 10.110 -9.563 1.00 0.00 H new ATOM 335 N ILE A 24 -2.649 9.528 -7.315 1.00 0.00 N ATOM 336 CA ILE A 24 -3.387 8.363 -6.892 1.00 0.00 C ATOM 337 C ILE A 24 -4.865 8.695 -6.784 1.00 0.00 C ATOM 338 O ILE A 24 -5.710 7.968 -7.294 1.00 0.00 O ATOM 339 CB ILE A 24 -2.821 7.790 -5.594 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.415 7.246 -5.873 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.708 6.633 -5.128 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.719 6.905 -4.561 1.00 0.00 C ATOM 0 H ILE A 24 -1.987 9.883 -6.625 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.278 7.582 -7.645 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.786 8.565 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.478 6.358 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.832 7.986 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.309 6.219 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.721 6.997 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.726 5.857 -5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.279 6.519 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.641 7.802 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.297 6.150 -4.028 1.00 0.00 H new ATOM 354 N ARG A 25 -5.173 9.856 -6.218 1.00 0.00 N ATOM 355 CA ARG A 25 -6.556 10.289 -6.150 1.00 0.00 C ATOM 356 C ARG A 25 -7.163 10.349 -7.528 1.00 0.00 C ATOM 357 O ARG A 25 -8.291 9.883 -7.744 1.00 0.00 O ATOM 358 CB ARG A 25 -6.698 11.645 -5.452 1.00 0.00 C ATOM 359 CG ARG A 25 -6.646 11.450 -3.933 1.00 0.00 C ATOM 360 CD ARG A 25 -6.903 12.780 -3.207 1.00 0.00 C ATOM 361 NE ARG A 25 -5.733 13.653 -3.251 1.00 0.00 N ATOM 362 CZ ARG A 25 -5.822 14.959 -2.969 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.992 15.507 -2.755 1.00 0.00 N ATOM 364 NH2 ARG A 25 -4.746 15.682 -2.917 1.00 0.00 N ATOM 0 H ARG A 25 -4.497 10.500 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.095 9.552 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.899 12.314 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.640 12.115 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.391 10.714 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.672 11.055 -3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.753 13.287 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.171 12.582 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.827 13.259 -3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.838 14.939 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.058 16.502 -2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.836 15.255 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.810 16.677 -2.702 1.00 0.00 H new ATOM 378 N SER A 26 -6.401 10.847 -8.468 1.00 0.00 N ATOM 379 CA SER A 26 -6.833 10.858 -9.841 1.00 0.00 C ATOM 380 C SER A 26 -7.074 9.417 -10.315 1.00 0.00 C ATOM 381 O SER A 26 -8.120 9.112 -10.900 1.00 0.00 O ATOM 382 CB SER A 26 -5.776 11.539 -10.692 1.00 0.00 C ATOM 383 OG SER A 26 -5.518 12.845 -10.167 1.00 0.00 O ATOM 0 H SER A 26 -5.478 11.250 -8.307 1.00 0.00 H new ATOM 0 HA SER A 26 -7.767 11.411 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.860 10.948 -10.697 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.115 11.610 -11.726 1.00 0.00 H new ATOM 0 HG SER A 26 -4.710 12.821 -9.613 1.00 0.00 H new ATOM 389 N LEU A 27 -6.159 8.516 -9.952 1.00 0.00 N ATOM 390 CA LEU A 27 -6.320 7.089 -10.251 1.00 0.00 C ATOM 391 C LEU A 27 -7.535 6.537 -9.518 1.00 0.00 C ATOM 392 O LEU A 27 -8.297 5.731 -10.058 1.00 0.00 O ATOM 393 CB LEU A 27 -5.074 6.296 -9.838 1.00 0.00 C ATOM 394 CG LEU A 27 -3.876 6.698 -10.709 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.617 5.988 -10.209 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.134 6.318 -12.176 1.00 0.00 C ATOM 0 H LEU A 27 -5.301 8.747 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.460 6.984 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.848 6.481 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.264 5.227 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.737 7.777 -10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.767 6.275 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.425 6.274 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.761 4.909 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.277 6.609 -12.783 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.284 5.241 -12.252 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.024 6.835 -12.534 1.00 0.00 H new ATOM 408 N LEU A 28 -7.701 6.974 -8.278 1.00 0.00 N ATOM 409 CA LEU A 28 -8.801 6.516 -7.441 1.00 0.00 C ATOM 410 C LEU A 28 -10.088 7.216 -7.846 1.00 0.00 C ATOM 411 O LEU A 28 -11.155 6.988 -7.250 1.00 0.00 O ATOM 412 CB LEU A 28 -8.514 6.791 -5.948 1.00 0.00 C ATOM 413 CG LEU A 28 -7.299 5.983 -5.464 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.966 6.385 -4.023 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.615 4.483 -5.501 1.00 0.00 C ATOM 0 H LEU A 28 -7.084 7.649 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.908 5.440 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.331 7.855 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.389 6.532 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.452 6.190 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.105 5.814 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.734 7.449 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.822 6.178 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.748 3.920 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.465 4.274 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.857 4.187 -6.522 1.00 0.00 H new ATOM 427 N GLN A 29 -9.977 8.096 -8.833 1.00 0.00 N ATOM 428 CA GLN A 29 -11.107 8.866 -9.324 1.00 0.00 C ATOM 429 C GLN A 29 -11.684 9.703 -8.197 1.00 0.00 C ATOM 430 O GLN A 29 -12.905 9.818 -8.058 1.00 0.00 O ATOM 431 CB GLN A 29 -12.201 7.939 -9.885 1.00 0.00 C ATOM 432 CG GLN A 29 -11.583 6.799 -10.707 1.00 0.00 C ATOM 433 CD GLN A 29 -10.695 7.341 -11.809 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.045 8.324 -12.474 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.564 6.770 -12.046 1.00 0.00 N ATOM 0 H GLN A 29 -9.100 8.294 -9.314 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.757 9.516 -10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.788 7.525 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.885 8.513 -10.509 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.001 6.149 -10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.375 6.188 -11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.277 5.960 -11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.956 7.128 -12.783 1.00 0.00 H new ATOM 444 N CYS A 30 -10.805 10.237 -7.359 1.00 0.00 N ATOM 445 CA CYS A 30 -11.223 11.021 -6.203 1.00 0.00 C ATOM 446 C CYS A 30 -12.001 12.263 -6.627 1.00 0.00 C ATOM 447 O CYS A 30 -11.560 13.395 -6.398 1.00 0.00 O ATOM 448 CB CYS A 30 -10.011 11.413 -5.349 1.00 0.00 C ATOM 449 SG CYS A 30 -10.524 11.627 -3.626 1.00 0.00 S ATOM 0 H CYS A 30 -9.794 10.141 -7.458 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.886 10.399 -5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.242 10.644 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.572 12.337 -5.725 1.00 0.00 H new ATOM 0 HG CYS A 30 -11.568 12.400 -3.577 1.00 0.00 H new ATOM 455 N ASP A 31 -13.140 12.047 -7.273 1.00 0.00 N ATOM 456 CA ASP A 31 -13.970 13.146 -7.754 1.00 0.00 C ATOM 457 C ASP A 31 -14.394 14.026 -6.605 1.00 0.00 C ATOM 458 O ASP A 31 -14.152 15.237 -6.612 1.00 0.00 O ATOM 459 CB ASP A 31 -15.228 12.593 -8.433 1.00 0.00 C ATOM 460 CG ASP A 31 -16.169 13.733 -8.781 1.00 0.00 C ATOM 461 OD1 ASP A 31 -15.812 14.526 -9.624 1.00 0.00 O ATOM 462 OD2 ASP A 31 -17.226 13.804 -8.190 1.00 0.00 O ATOM 0 H ASP A 31 -13.511 11.119 -7.477 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.385 13.728 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.955 12.047 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.728 11.886 -7.771 1.00 0.00 H new ATOM 467 N ASP A 32 -14.981 13.403 -5.600 1.00 0.00 N ATOM 468 CA ASP A 32 -15.435 14.114 -4.417 1.00 0.00 C ATOM 469 C ASP A 32 -16.159 15.399 -4.817 1.00 0.00 C ATOM 470 O ASP A 32 -15.808 16.493 -4.354 1.00 0.00 O ATOM 471 CB ASP A 32 -14.255 14.411 -3.462 1.00 0.00 C ATOM 472 CG ASP A 32 -13.921 13.197 -2.604 1.00 0.00 C ATOM 473 OD1 ASP A 32 -14.805 12.403 -2.339 1.00 0.00 O ATOM 474 OD2 ASP A 32 -12.786 13.077 -2.203 1.00 0.00 O ATOM 0 H ASP A 32 -15.156 12.398 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.139 13.478 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.379 14.702 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.507 15.255 -2.820 1.00 0.00 H new ATOM 479 N GLY A 33 -17.094 15.289 -5.752 1.00 0.00 N ATOM 480 CA GLY A 33 -17.767 16.470 -6.266 1.00 0.00 C ATOM 481 C GLY A 33 -19.110 16.153 -6.911 1.00 0.00 C ATOM 482 O GLY A 33 -20.161 16.292 -6.276 1.00 0.00 O ATOM 0 H GLY A 33 -17.399 14.407 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.919 17.179 -5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.124 16.959 -6.998 1.00 0.00 H new ATOM 486 N ILE A 34 -19.093 15.786 -8.187 1.00 0.00 N ATOM 487 CA ILE A 34 -20.330 15.568 -8.934 1.00 0.00 C ATOM 488 C ILE A 34 -21.164 14.439 -8.360 1.00 0.00 C ATOM 489 O ILE A 34 -22.388 14.575 -8.200 1.00 0.00 O ATOM 490 CB ILE A 34 -20.041 15.341 -10.437 1.00 0.00 C ATOM 491 CG1 ILE A 34 -21.317 14.887 -11.160 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.941 14.294 -10.628 1.00 0.00 C ATOM 493 CD1 ILE A 34 -22.405 15.955 -11.034 1.00 0.00 C ATOM 0 H ILE A 34 -18.241 15.633 -8.726 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.922 16.478 -8.834 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.702 16.285 -10.863 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -21.101 14.700 -12.212 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.669 13.947 -10.735 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -18.755 14.151 -11.693 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.026 14.634 -10.143 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.257 13.349 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -23.305 15.621 -11.551 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -22.632 16.121 -9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -22.055 16.886 -11.480 1.00 0.00 H new ATOM 505 N THR A 35 -20.516 13.370 -7.978 1.00 0.00 N ATOM 506 CA THR A 35 -21.218 12.262 -7.370 1.00 0.00 C ATOM 507 C THR A 35 -21.237 12.467 -5.853 1.00 0.00 C ATOM 508 O THR A 35 -21.444 11.538 -5.071 1.00 0.00 O ATOM 509 CB THR A 35 -20.577 10.909 -7.810 1.00 0.00 C ATOM 510 OG1 THR A 35 -20.703 9.908 -6.801 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.100 11.106 -8.168 1.00 0.00 C ATOM 0 H THR A 35 -19.509 13.240 -8.075 1.00 0.00 H new ATOM 0 HA THR A 35 -22.254 12.223 -7.708 1.00 0.00 H new ATOM 0 HB THR A 35 -21.119 10.566 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 35 -19.827 9.741 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.669 10.152 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.016 11.820 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.563 11.486 -7.299 1.00 0.00 H new ATOM 519 N GLY A 36 -20.961 13.705 -5.445 1.00 0.00 N ATOM 520 CA GLY A 36 -20.853 14.035 -4.049 1.00 0.00 C ATOM 521 C GLY A 36 -19.506 13.594 -3.569 1.00 0.00 C ATOM 522 O GLY A 36 -18.629 13.275 -4.385 1.00 0.00 O ATOM 0 H GLY A 36 -20.809 14.492 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -20.977 15.108 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -21.640 13.541 -3.479 1.00 0.00 H new ATOM 526 N LYS A 37 -19.339 13.492 -2.274 1.00 0.00 N ATOM 527 CA LYS A 37 -18.100 12.973 -1.762 1.00 0.00 C ATOM 528 C LYS A 37 -18.315 11.560 -1.289 1.00 0.00 C ATOM 529 O LYS A 37 -19.166 11.303 -0.436 1.00 0.00 O ATOM 530 CB LYS A 37 -17.580 13.867 -0.637 1.00 0.00 C ATOM 531 CG LYS A 37 -16.861 15.084 -1.250 1.00 0.00 C ATOM 532 CD LYS A 37 -17.891 16.110 -1.757 1.00 0.00 C ATOM 533 CE LYS A 37 -18.180 17.132 -0.659 1.00 0.00 C ATOM 534 NZ LYS A 37 -17.211 18.249 -0.756 1.00 0.00 N ATOM 0 H LYS A 37 -20.029 13.755 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.346 12.965 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.406 14.197 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.895 13.308 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.213 15.546 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.222 14.762 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.510 16.614 -2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.811 15.603 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.198 17.510 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.109 16.659 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.408 18.945 -0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.245 17.881 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.300 18.706 -1.686 1.00 0.00 H new ATOM 548 N GLU A 38 -17.597 10.644 -1.909 1.00 0.00 N ATOM 549 CA GLU A 38 -17.721 9.224 -1.637 1.00 0.00 C ATOM 550 C GLU A 38 -16.783 8.815 -0.528 1.00 0.00 C ATOM 551 O GLU A 38 -15.660 9.327 -0.441 1.00 0.00 O ATOM 552 CB GLU A 38 -17.424 8.444 -2.897 1.00 0.00 C ATOM 553 CG GLU A 38 -18.497 8.764 -3.938 1.00 0.00 C ATOM 554 CD GLU A 38 -18.154 8.151 -5.281 1.00 0.00 C ATOM 555 OE1 GLU A 38 -17.231 7.380 -5.349 1.00 0.00 O ATOM 556 OE2 GLU A 38 -18.828 8.461 -6.237 1.00 0.00 O ATOM 0 H GLU A 38 -16.904 10.866 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.740 9.008 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.437 8.706 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.411 7.375 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.462 8.387 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.596 9.844 -4.043 1.00 0.00 H new ATOM 563 N ARG A 39 -17.196 7.848 0.258 1.00 0.00 N ATOM 564 CA ARG A 39 -16.360 7.359 1.352 1.00 0.00 C ATOM 565 C ARG A 39 -15.332 6.370 0.819 1.00 0.00 C ATOM 566 O ARG A 39 -15.693 5.378 0.186 1.00 0.00 O ATOM 567 CB ARG A 39 -17.227 6.657 2.406 1.00 0.00 C ATOM 568 CG ARG A 39 -18.400 7.554 2.808 1.00 0.00 C ATOM 569 CD ARG A 39 -17.893 8.828 3.487 1.00 0.00 C ATOM 570 NE ARG A 39 -19.023 9.658 3.885 1.00 0.00 N ATOM 571 CZ ARG A 39 -19.553 10.548 3.046 1.00 0.00 C ATOM 572 NH1 ARG A 39 -19.046 10.688 1.857 1.00 0.00 N ATOM 573 NH2 ARG A 39 -20.567 11.271 3.416 1.00 0.00 N ATOM 0 H ARG A 39 -18.098 7.381 0.169 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.851 8.209 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.601 5.713 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.625 6.419 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.986 7.813 1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -19.063 7.014 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.293 8.572 4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.246 9.381 2.806 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.415 9.556 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.249 10.119 1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -19.446 11.367 1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -20.960 11.158 4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -20.970 11.951 2.772 1.00 0.00 H new ATOM 587 N LEU A 40 -14.065 6.631 1.084 1.00 0.00 N ATOM 588 CA LEU A 40 -12.997 5.734 0.646 1.00 0.00 C ATOM 589 C LEU A 40 -12.802 4.624 1.664 1.00 0.00 C ATOM 590 O LEU A 40 -12.959 4.846 2.866 1.00 0.00 O ATOM 591 CB LEU A 40 -11.683 6.503 0.471 1.00 0.00 C ATOM 592 CG LEU A 40 -11.859 7.600 -0.592 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.232 8.921 0.089 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.551 7.779 -1.372 1.00 0.00 C ATOM 0 H LEU A 40 -13.745 7.452 1.598 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.283 5.303 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.382 6.948 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.888 5.819 0.173 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.653 7.309 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.356 9.697 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.165 8.796 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.440 9.210 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.680 8.557 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.754 8.066 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.288 6.841 -1.861 1.00 0.00 H new ATOM 606 N LYS A 41 -12.457 3.438 1.200 1.00 0.00 N ATOM 607 CA LYS A 41 -12.204 2.324 2.106 1.00 0.00 C ATOM 608 C LYS A 41 -10.886 1.665 1.796 1.00 0.00 C ATOM 609 O LYS A 41 -10.555 1.462 0.634 1.00 0.00 O ATOM 610 CB LYS A 41 -13.341 1.298 2.051 1.00 0.00 C ATOM 611 CG LYS A 41 -14.595 1.888 2.710 1.00 0.00 C ATOM 612 CD LYS A 41 -14.640 1.489 4.199 1.00 0.00 C ATOM 613 CE LYS A 41 -13.750 2.422 5.038 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.065 3.844 4.736 1.00 0.00 N ATOM 0 H LYS A 41 -12.345 3.218 0.210 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.157 2.726 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.553 1.030 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.044 0.383 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.590 2.974 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.489 1.528 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.667 1.534 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.306 0.458 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.904 2.226 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.700 2.222 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.821 4.435 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.514 4.154 3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.080 3.939 4.530 1.00 0.00 H new ATOM 628 N ALA A 42 -10.165 1.281 2.838 1.00 0.00 N ATOM 629 CA ALA A 42 -8.898 0.589 2.681 1.00 0.00 C ATOM 630 C ALA A 42 -8.801 -0.554 3.666 1.00 0.00 C ATOM 631 O ALA A 42 -9.202 -0.414 4.830 1.00 0.00 O ATOM 632 CB ALA A 42 -7.728 1.552 2.862 1.00 0.00 C ATOM 0 H ALA A 42 -10.440 1.439 3.808 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.850 0.184 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.789 1.011 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.790 2.344 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.768 1.989 3.860 1.00 0.00 H new ATOM 638 N TYR A 43 -8.374 -1.702 3.183 1.00 0.00 N ATOM 639 CA TYR A 43 -8.335 -2.909 3.991 1.00 0.00 C ATOM 640 C TYR A 43 -7.464 -3.985 3.360 1.00 0.00 C ATOM 641 O TYR A 43 -6.961 -3.828 2.244 1.00 0.00 O ATOM 642 CB TYR A 43 -9.746 -3.434 4.253 1.00 0.00 C ATOM 643 CG TYR A 43 -10.528 -3.442 2.964 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.290 -4.426 2.015 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.505 -2.470 2.730 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.018 -4.452 0.835 1.00 0.00 C ATOM 647 CE2 TYR A 43 -12.234 -2.488 1.545 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.995 -3.479 0.596 1.00 0.00 C ATOM 649 OH TYR A 43 -12.732 -3.514 -0.566 1.00 0.00 O ATOM 0 H TYR A 43 -8.045 -1.828 2.226 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.883 -2.646 4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.699 -4.441 4.669 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.247 -2.807 4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.534 -5.176 2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.694 -1.705 3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.831 -5.222 0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.985 -1.734 1.361 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.631 -3.164 -0.394 1.00 0.00 H new ATOM 659 N GLY A 44 -7.265 -5.065 4.090 1.00 0.00 N ATOM 660 CA GLY A 44 -6.453 -6.161 3.631 1.00 0.00 C ATOM 661 C GLY A 44 -7.034 -6.773 2.376 1.00 0.00 C ATOM 662 O GLY A 44 -8.238 -6.737 2.154 1.00 0.00 O ATOM 0 H GLY A 44 -7.665 -5.202 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.440 -5.811 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.383 -6.919 4.411 1.00 0.00 H new ATOM 666 N GLU A 45 -6.173 -7.368 1.592 1.00 0.00 N ATOM 667 CA GLU A 45 -6.522 -8.010 0.333 1.00 0.00 C ATOM 668 C GLU A 45 -8.001 -8.396 0.239 1.00 0.00 C ATOM 669 O GLU A 45 -8.493 -9.249 0.991 1.00 0.00 O ATOM 670 CB GLU A 45 -5.621 -9.221 0.154 1.00 0.00 C ATOM 671 CG GLU A 45 -4.208 -8.740 -0.170 1.00 0.00 C ATOM 672 CD GLU A 45 -4.213 -8.059 -1.520 1.00 0.00 C ATOM 673 OE1 GLU A 45 -4.520 -8.725 -2.489 1.00 0.00 O ATOM 674 OE2 GLU A 45 -3.917 -6.895 -1.574 1.00 0.00 O ATOM 0 H GLU A 45 -5.178 -7.426 1.810 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.365 -7.295 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.615 -9.825 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.997 -9.856 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.861 -8.049 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.517 -9.583 -0.177 1.00 0.00 H new ATOM 881 N PRO A 57 -4.981 -10.147 5.726 1.00 0.00 N ATOM 882 CA PRO A 57 -5.543 -8.809 6.015 1.00 0.00 C ATOM 883 C PRO A 57 -4.379 -7.829 6.123 1.00 0.00 C ATOM 884 O PRO A 57 -3.234 -8.236 5.948 1.00 0.00 O ATOM 885 CB PRO A 57 -6.244 -8.987 7.351 1.00 0.00 C ATOM 886 CG PRO A 57 -5.477 -10.058 8.048 1.00 0.00 C ATOM 887 CD PRO A 57 -4.874 -10.957 6.959 1.00 0.00 C ATOM 0 HA PRO A 57 -6.227 -8.428 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.240 -8.061 7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.287 -9.273 7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.693 -9.628 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.128 -10.633 8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.838 -11.212 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.421 -11.896 6.869 1.00 0.00 H new ATOM 895 N ILE A 58 -4.642 -6.561 6.381 1.00 0.00 N ATOM 896 CA ILE A 58 -3.537 -5.612 6.534 1.00 0.00 C ATOM 897 C ILE A 58 -2.525 -6.209 7.535 1.00 0.00 C ATOM 898 O ILE A 58 -2.835 -6.342 8.732 1.00 0.00 O ATOM 899 CB ILE A 58 -4.068 -4.267 7.066 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.091 -3.686 6.084 1.00 0.00 C ATOM 901 CG2 ILE A 58 -2.910 -3.273 7.221 1.00 0.00 C ATOM 902 CD1 ILE A 58 -5.823 -2.520 6.749 1.00 0.00 C ATOM 0 H ILE A 58 -5.576 -6.166 6.488 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.057 -5.437 5.571 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.540 -4.436 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.590 -3.346 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.803 -4.455 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.293 -2.324 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.178 -3.673 7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.435 -3.114 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.552 -2.104 6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.336 -2.875 7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.104 -1.749 7.025 1.00 0.00 H new ATOM 914 N VAL A 59 -1.375 -6.657 7.026 1.00 0.00 N ATOM 915 CA VAL A 59 -0.360 -7.315 7.838 1.00 0.00 C ATOM 916 C VAL A 59 1.012 -7.218 7.171 1.00 0.00 C ATOM 917 O VAL A 59 1.331 -8.004 6.276 1.00 0.00 O ATOM 918 CB VAL A 59 -0.709 -8.821 8.054 1.00 0.00 C ATOM 919 CG1 VAL A 59 -2.001 -8.976 8.863 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.874 -9.538 6.696 1.00 0.00 C ATOM 0 H VAL A 59 -1.126 -6.572 6.041 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.334 -6.808 8.803 1.00 0.00 H new ATOM 0 HB VAL A 59 0.113 -9.273 8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.221 -10.035 8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.879 -8.503 9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.824 -8.500 8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.117 -10.587 6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.678 -9.066 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.056 -9.468 6.132 1.00 0.00 H new ATOM 930 N SER A 60 1.862 -6.352 7.668 1.00 0.00 N ATOM 931 CA SER A 60 3.219 -6.320 7.174 1.00 0.00 C ATOM 932 C SER A 60 3.922 -7.582 7.648 1.00 0.00 C ATOM 933 O SER A 60 3.841 -7.925 8.831 1.00 0.00 O ATOM 934 CB SER A 60 3.968 -5.103 7.724 1.00 0.00 C ATOM 935 OG SER A 60 3.177 -3.921 7.608 1.00 0.00 O ATOM 0 H SER A 60 1.646 -5.673 8.398 1.00 0.00 H new ATOM 0 HA SER A 60 3.206 -6.258 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.225 -5.272 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.905 -4.973 7.182 1.00 0.00 H new ATOM 0 HG SER A 60 2.404 -3.984 8.208 1.00 0.00 H new ATOM 941 N THR A 61 4.638 -8.254 6.769 1.00 0.00 N ATOM 942 CA THR A 61 5.363 -9.443 7.190 1.00 0.00 C ATOM 943 C THR A 61 6.735 -9.041 7.693 1.00 0.00 C ATOM 944 O THR A 61 7.556 -8.537 6.919 1.00 0.00 O ATOM 945 CB THR A 61 5.500 -10.432 6.025 1.00 0.00 C ATOM 946 OG1 THR A 61 6.368 -9.884 5.040 1.00 0.00 O ATOM 947 CG2 THR A 61 4.128 -10.697 5.404 1.00 0.00 C ATOM 0 H THR A 61 4.735 -8.009 5.784 1.00 0.00 H new ATOM 0 HA THR A 61 4.809 -9.932 7.991 1.00 0.00 H new ATOM 0 HB THR A 61 5.912 -11.370 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.786 -9.069 5.389 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.232 -11.400 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.463 -11.119 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.709 -9.761 5.034 1.00 0.00 H new ATOM 955 N LYS A 62 6.979 -9.233 8.979 1.00 0.00 N ATOM 956 CA LYS A 62 8.260 -8.860 9.562 1.00 0.00 C ATOM 957 C LYS A 62 9.364 -9.766 9.045 1.00 0.00 C ATOM 958 O LYS A 62 9.274 -10.991 9.175 1.00 0.00 O ATOM 959 CB LYS A 62 8.205 -9.000 11.090 1.00 0.00 C ATOM 960 CG LYS A 62 7.234 -7.982 11.707 1.00 0.00 C ATOM 961 CD LYS A 62 7.838 -6.577 11.620 1.00 0.00 C ATOM 962 CE LYS A 62 7.187 -5.669 12.671 1.00 0.00 C ATOM 963 NZ LYS A 62 8.194 -5.300 13.698 1.00 0.00 N ATOM 0 H LYS A 62 6.314 -9.641 9.636 1.00 0.00 H new ATOM 0 HA LYS A 62 8.467 -7.827 9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.893 -10.010 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.202 -8.855 11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.279 -8.011 11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.034 -8.239 12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.915 -6.623 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.683 -6.165 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.790 -4.772 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.346 -6.181 13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.855 -4.477 14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.339 -6.101 14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.094 -5.063 13.233 1.00 0.00 H new ATOM 977 N LYS A 63 10.454 -9.170 8.594 1.00 0.00 N ATOM 978 CA LYS A 63 11.647 -9.930 8.247 1.00 0.00 C ATOM 979 C LYS A 63 12.891 -9.134 8.624 1.00 0.00 C ATOM 980 O LYS A 63 12.937 -7.925 8.417 1.00 0.00 O ATOM 981 CB LYS A 63 11.671 -10.295 6.753 1.00 0.00 C ATOM 982 CG LYS A 63 10.467 -11.203 6.424 1.00 0.00 C ATOM 983 CD LYS A 63 10.720 -11.997 5.130 1.00 0.00 C ATOM 984 CE LYS A 63 10.544 -11.104 3.899 1.00 0.00 C ATOM 985 NZ LYS A 63 10.616 -11.930 2.667 1.00 0.00 N ATOM 0 H LYS A 63 10.540 -8.163 8.459 1.00 0.00 H new ATOM 0 HA LYS A 63 11.632 -10.864 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.634 -9.390 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.602 -10.805 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.289 -11.892 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.568 -10.597 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.728 -12.410 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.031 -12.840 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.585 -10.587 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.319 -10.337 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.496 -11.320 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.541 -12.403 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.861 -12.646 2.684 1.00 0.00 H new ATOM 999 N LEU A 64 13.909 -9.811 9.128 1.00 0.00 N ATOM 1000 CA LEU A 64 15.165 -9.150 9.468 1.00 0.00 C ATOM 1001 C LEU A 64 16.175 -9.455 8.380 1.00 0.00 C ATOM 1002 O LEU A 64 16.881 -10.469 8.437 1.00 0.00 O ATOM 1003 CB LEU A 64 15.678 -9.654 10.833 1.00 0.00 C ATOM 1004 CG LEU A 64 16.605 -8.616 11.530 1.00 0.00 C ATOM 1005 CD1 LEU A 64 17.157 -7.579 10.540 1.00 0.00 C ATOM 1006 CD2 LEU A 64 15.836 -7.894 12.643 1.00 0.00 C ATOM 0 H LEU A 64 13.894 -10.814 9.312 1.00 0.00 H new ATOM 0 HA LEU A 64 15.013 -8.073 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.829 -9.873 11.480 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.222 -10.588 10.693 1.00 0.00 H new ATOM 0 HG LEU A 64 17.449 -9.164 11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.798 -6.875 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.735 -8.086 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.330 -7.040 10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.491 -7.169 13.126 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.976 -7.378 12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.493 -8.621 13.379 1.00 0.00 H new ATOM 1018 N ASP A 65 16.154 -8.651 7.333 1.00 0.00 N ATOM 1019 CA ASP A 65 16.949 -8.910 6.148 1.00 0.00 C ATOM 1020 C ASP A 65 18.389 -8.494 6.310 1.00 0.00 C ATOM 1021 O ASP A 65 18.751 -7.786 7.254 1.00 0.00 O ATOM 1022 CB ASP A 65 16.339 -8.198 4.927 1.00 0.00 C ATOM 1023 CG ASP A 65 15.621 -9.180 4.027 1.00 0.00 C ATOM 1024 OD1 ASP A 65 14.998 -10.088 4.537 1.00 0.00 O ATOM 1025 OD2 ASP A 65 15.696 -9.012 2.832 1.00 0.00 O ATOM 0 H ASP A 65 15.588 -7.804 7.280 1.00 0.00 H new ATOM 0 HA ASP A 65 16.936 -9.989 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.642 -7.429 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.125 -7.693 4.366 1.00 0.00 H new ATOM 1030 N LYS A 66 19.178 -8.868 5.309 1.00 0.00 N ATOM 1031 CA LYS A 66 20.590 -8.517 5.184 1.00 0.00 C ATOM 1032 C LYS A 66 20.839 -7.081 5.629 1.00 0.00 C ATOM 1033 O LYS A 66 21.949 -6.721 6.040 1.00 0.00 O ATOM 1034 CB LYS A 66 21.012 -8.665 3.706 1.00 0.00 C ATOM 1035 CG LYS A 66 20.226 -7.656 2.832 1.00 0.00 C ATOM 1036 CD LYS A 66 18.914 -8.279 2.324 1.00 0.00 C ATOM 1037 CE LYS A 66 18.064 -7.203 1.640 1.00 0.00 C ATOM 1038 NZ LYS A 66 16.846 -7.818 1.064 1.00 0.00 N ATOM 0 H LYS A 66 18.842 -9.443 4.536 1.00 0.00 H new ATOM 0 HA LYS A 66 21.172 -9.183 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.083 -8.490 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.821 -9.682 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.007 -6.759 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.839 -7.347 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.130 -9.086 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.363 -8.718 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.788 -6.432 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.642 -6.714 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.333 -7.110 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.115 -8.616 0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.233 -8.160 1.832 1.00 0.00 H new ATOM 1052 N GLU A 67 19.802 -6.273 5.540 1.00 0.00 N ATOM 1053 CA GLU A 67 19.870 -4.884 5.917 1.00 0.00 C ATOM 1054 C GLU A 67 20.186 -4.754 7.395 1.00 0.00 C ATOM 1055 O GLU A 67 20.846 -3.800 7.815 1.00 0.00 O ATOM 1056 CB GLU A 67 18.541 -4.188 5.591 1.00 0.00 C ATOM 1057 CG GLU A 67 18.384 -4.068 4.070 1.00 0.00 C ATOM 1058 CD GLU A 67 17.036 -3.467 3.729 1.00 0.00 C ATOM 1059 OE1 GLU A 67 16.030 -4.072 4.064 1.00 0.00 O ATOM 1060 OE2 GLU A 67 17.020 -2.427 3.104 1.00 0.00 O ATOM 0 H GLU A 67 18.886 -6.567 5.202 1.00 0.00 H new ATOM 0 HA GLU A 67 20.668 -4.403 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.709 -4.755 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.515 -3.199 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.181 -3.446 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.479 -5.051 3.609 1.00 0.00 H new ATOM 1067 N GLY A 68 19.663 -5.670 8.189 1.00 0.00 N ATOM 1068 CA GLY A 68 19.826 -5.591 9.628 1.00 0.00 C ATOM 1069 C GLY A 68 18.744 -4.699 10.173 1.00 0.00 C ATOM 1070 O GLY A 68 18.836 -4.169 11.281 1.00 0.00 O ATOM 0 H GLY A 68 19.125 -6.473 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.761 -6.584 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.809 -5.193 9.878 1.00 0.00 H new ATOM 1074 N ARG A 69 17.710 -4.543 9.369 1.00 0.00 N ATOM 1075 CA ARG A 69 16.563 -3.738 9.706 1.00 0.00 C ATOM 1076 C ARG A 69 15.337 -4.628 9.569 1.00 0.00 C ATOM 1077 O ARG A 69 15.248 -5.414 8.619 1.00 0.00 O ATOM 1078 CB ARG A 69 16.433 -2.589 8.688 1.00 0.00 C ATOM 1079 CG ARG A 69 17.748 -1.801 8.587 1.00 0.00 C ATOM 1080 CD ARG A 69 17.936 -0.915 9.813 1.00 0.00 C ATOM 1081 NE ARG A 69 19.275 -0.347 9.807 1.00 0.00 N ATOM 1082 CZ ARG A 69 19.543 0.894 9.373 1.00 0.00 C ATOM 1083 NH1 ARG A 69 18.570 1.716 9.041 1.00 0.00 N ATOM 1084 NH2 ARG A 69 20.782 1.287 9.308 1.00 0.00 N ATOM 0 H ARG A 69 17.647 -4.981 8.450 1.00 0.00 H new ATOM 0 HA ARG A 69 16.660 -3.331 10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.168 -2.991 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.625 -1.921 8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.587 -2.492 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.743 -1.188 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.192 -0.118 9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.782 -1.497 10.721 1.00 0.00 H new ATOM 0 HE ARG A 69 20.047 -0.919 10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.599 1.412 9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.787 2.657 8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.533 0.655 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.002 2.227 8.980 1.00 0.00 H new ATOM 1098 N THR A 70 14.396 -4.504 10.473 1.00 0.00 N ATOM 1099 CA THR A 70 13.183 -5.296 10.374 1.00 0.00 C ATOM 1100 C THR A 70 12.366 -4.817 9.173 1.00 0.00 C ATOM 1101 O THR A 70 11.860 -3.696 9.164 1.00 0.00 O ATOM 1102 CB THR A 70 12.378 -5.189 11.664 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.259 -5.289 12.780 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.355 -6.319 11.729 1.00 0.00 C ATOM 0 H THR A 70 14.439 -3.875 11.275 1.00 0.00 H new ATOM 0 HA THR A 70 13.439 -6.345 10.228 1.00 0.00 H new ATOM 0 HB THR A 70 11.860 -4.230 11.687 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.744 -5.219 13.611 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.782 -6.238 12.653 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.680 -6.248 10.876 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.871 -7.279 11.705 1.00 0.00 H new ATOM 1112 N HIS A 71 12.320 -5.641 8.147 1.00 0.00 N ATOM 1113 CA HIS A 71 11.685 -5.297 6.881 1.00 0.00 C ATOM 1114 C HIS A 71 10.190 -5.591 6.923 1.00 0.00 C ATOM 1115 O HIS A 71 9.774 -6.700 7.281 1.00 0.00 O ATOM 1116 CB HIS A 71 12.346 -6.110 5.755 1.00 0.00 C ATOM 1117 CG HIS A 71 12.282 -5.391 4.422 1.00 0.00 C ATOM 1118 ND1 HIS A 71 13.423 -4.876 3.808 1.00 0.00 N ATOM 1119 CD2 HIS A 71 11.245 -5.157 3.536 1.00 0.00 C ATOM 1120 CE1 HIS A 71 13.045 -4.382 2.611 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.732 -4.527 2.394 1.00 0.00 N ATOM 0 H HIS A 71 12.724 -6.577 8.163 1.00 0.00 H new ATOM 0 HA HIS A 71 11.814 -4.230 6.698 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.387 -6.305 6.012 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.852 -7.078 5.669 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.212 -5.423 3.705 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.724 -3.922 1.908 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.203 -4.239 1.571 1.00 0.00 H new ATOM 1130 N HIS A 72 9.404 -4.622 6.492 1.00 0.00 N ATOM 1131 CA HIS A 72 7.958 -4.759 6.375 1.00 0.00 C ATOM 1132 C HIS A 72 7.617 -5.045 4.932 1.00 0.00 C ATOM 1133 O HIS A 72 8.007 -4.290 4.052 1.00 0.00 O ATOM 1134 CB HIS A 72 7.254 -3.433 6.748 1.00 0.00 C ATOM 1135 CG HIS A 72 7.051 -3.297 8.232 1.00 0.00 C ATOM 1136 ND1 HIS A 72 5.780 -3.247 8.803 1.00 0.00 N ATOM 1137 CD2 HIS A 72 7.936 -3.159 9.269 1.00 0.00 C ATOM 1138 CE1 HIS A 72 5.944 -3.081 10.129 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.237 -3.017 10.467 1.00 0.00 N ATOM 0 H HIS A 72 9.752 -3.706 6.209 1.00 0.00 H new ATOM 0 HA HIS A 72 7.631 -5.558 7.040 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.848 -2.594 6.386 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.289 -3.382 6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.012 -3.160 9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.130 -3.008 10.835 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.628 -2.891 11.401 1.00 0.00 H new ATOM 1148 N TYR A 73 6.779 -6.032 4.715 1.00 0.00 N ATOM 1149 CA TYR A 73 6.210 -6.284 3.406 1.00 0.00 C ATOM 1150 C TYR A 73 4.712 -6.221 3.553 1.00 0.00 C ATOM 1151 O TYR A 73 4.113 -7.122 4.142 1.00 0.00 O ATOM 1152 CB TYR A 73 6.630 -7.665 2.882 1.00 0.00 C ATOM 1153 CG TYR A 73 8.134 -7.710 2.739 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.935 -8.074 3.831 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.730 -7.380 1.516 1.00 0.00 C ATOM 1156 CE1 TYR A 73 10.320 -8.096 3.694 1.00 0.00 C ATOM 1157 CE2 TYR A 73 10.119 -7.413 1.390 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.911 -7.769 2.475 1.00 0.00 C ATOM 1159 OH TYR A 73 12.282 -7.778 2.353 1.00 0.00 O ATOM 0 H TYR A 73 6.471 -6.683 5.437 1.00 0.00 H new ATOM 0 HA TYR A 73 6.566 -5.543 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.295 -8.444 3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.156 -7.861 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.479 -8.336 4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.116 -7.101 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.939 -8.368 4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.580 -7.161 0.446 1.00 0.00 H new ATOM 0 HH TYR A 73 12.531 -7.527 1.439 1.00 0.00 H new ATOM 1169 N MET A 74 4.140 -5.079 3.212 1.00 0.00 N ATOM 1170 CA MET A 74 2.731 -4.829 3.466 1.00 0.00 C ATOM 1171 C MET A 74 2.007 -4.486 2.188 1.00 0.00 C ATOM 1172 O MET A 74 2.432 -3.603 1.438 1.00 0.00 O ATOM 1173 CB MET A 74 2.574 -3.679 4.472 1.00 0.00 C ATOM 1174 CG MET A 74 1.090 -3.444 4.789 1.00 0.00 C ATOM 1175 SD MET A 74 0.940 -2.052 5.938 1.00 0.00 S ATOM 1176 CE MET A 74 1.480 -0.750 4.798 1.00 0.00 C ATOM 0 H MET A 74 4.630 -4.309 2.758 1.00 0.00 H new ATOM 0 HA MET A 74 2.294 -5.737 3.881 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.116 -3.913 5.389 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.014 -2.769 4.065 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.539 -3.235 3.872 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.653 -4.341 5.227 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.915 0.162 4.993 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.543 -0.557 4.944 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.307 -1.071 3.771 1.00 0.00 H new ATOM 1186 N ARG A 75 0.857 -5.092 2.008 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.016 -4.767 0.905 1.00 0.00 C ATOM 1188 C ARG A 75 -1.438 -4.657 1.408 1.00 0.00 C ATOM 1189 O ARG A 75 -1.845 -5.403 2.305 1.00 0.00 O ATOM 1190 CB ARG A 75 0.054 -5.835 -0.195 1.00 0.00 C ATOM 1191 CG ARG A 75 -0.200 -7.224 0.412 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.384 -8.248 -0.714 1.00 0.00 C ATOM 1193 NE ARG A 75 0.852 -8.404 -1.475 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.893 -9.070 -2.632 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.202 -9.563 -3.139 1.00 0.00 N ATOM 1196 NH2 ARG A 75 2.025 -9.222 -3.250 1.00 0.00 N ATOM 0 H ARG A 75 0.500 -5.824 2.622 1.00 0.00 H new ATOM 0 HA ARG A 75 0.309 -3.817 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.686 -5.624 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.032 -5.811 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.637 -7.513 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.087 -7.200 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.682 -9.209 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.187 -7.927 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 75 1.711 -7.991 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.090 -9.440 -2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.171 -10.072 -4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.880 -8.833 -2.852 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.059 -9.730 -4.134 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.204 -3.775 0.814 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.601 -3.645 1.168 1.00 0.00 C ATOM 1212 C PHE A 76 -4.429 -3.149 0.013 1.00 0.00 C ATOM 1213 O PHE A 76 -3.904 -2.560 -0.938 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.806 -2.799 2.441 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.216 -1.413 2.287 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -3.990 -0.369 1.766 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -1.897 -1.170 2.692 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.441 0.915 1.650 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.350 0.110 2.572 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.121 1.153 2.053 1.00 0.00 C ATOM 0 H PHE A 76 -1.887 -3.137 0.084 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.960 -4.647 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.871 -2.720 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.343 -3.300 3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.008 -0.553 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.301 -1.974 3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.036 1.722 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.331 0.293 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.699 2.143 1.963 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.721 -3.380 0.097 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.648 -2.967 -0.934 1.00 0.00 C ATOM 1232 C HIS A 77 -7.445 -1.769 -0.482 1.00 0.00 C ATOM 1233 O HIS A 77 -7.780 -1.638 0.703 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.587 -4.117 -1.332 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.074 -4.804 -2.579 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.952 -5.629 -2.595 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.545 -4.793 -3.868 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.805 -6.071 -3.861 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.746 -5.592 -4.673 1.00 0.00 N ATOM 0 H HIS A 77 -6.159 -3.860 0.883 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.067 -2.688 -1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.659 -4.836 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.591 -3.732 -1.508 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -5.355 -5.856 -1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.411 -4.243 -4.206 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.016 -6.736 -4.179 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.738 -0.901 -1.421 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.494 0.300 -1.159 1.00 0.00 C ATOM 1250 C VAL A 78 -9.612 0.427 -2.175 1.00 0.00 C ATOM 1251 O VAL A 78 -9.453 0.039 -3.335 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.559 1.543 -1.181 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.657 1.500 -2.417 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -8.377 2.847 -1.205 1.00 0.00 C ATOM 0 H VAL A 78 -7.456 -1.009 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.939 0.242 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.952 1.521 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.006 2.374 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.049 0.596 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.272 1.499 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.700 3.701 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.005 2.866 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.006 2.898 -0.316 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.710 1.017 -1.763 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.810 1.243 -2.665 1.00 0.00 C ATOM 1266 C GLU A 79 -11.817 2.674 -3.094 1.00 0.00 C ATOM 1267 O GLU A 79 -11.922 3.591 -2.270 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.154 0.870 -2.027 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.308 -0.652 -2.013 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.615 -1.040 -1.363 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.647 -0.663 -1.885 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.578 -1.713 -0.359 1.00 0.00 O ATOM 0 H GLU A 79 -10.863 1.348 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.675 0.600 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.207 1.261 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.972 1.324 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.272 -1.037 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.477 -1.104 -1.472 1.00 0.00 H new ATOM 1279 N SER A 80 -11.683 2.863 -4.379 1.00 0.00 N ATOM 1280 CA SER A 80 -11.644 4.169 -4.948 1.00 0.00 C ATOM 1281 C SER A 80 -13.050 4.631 -5.197 1.00 0.00 C ATOM 1282 O SER A 80 -14.011 3.912 -4.902 1.00 0.00 O ATOM 1283 CB SER A 80 -10.866 4.145 -6.259 1.00 0.00 C ATOM 1284 OG SER A 80 -10.018 3.003 -6.295 1.00 0.00 O ATOM 0 H SER A 80 -11.598 2.107 -5.058 1.00 0.00 H new ATOM 0 HA SER A 80 -11.146 4.854 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.557 4.123 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.272 5.054 -6.357 1.00 0.00 H new ATOM 0 HG SER A 80 -10.555 2.202 -6.472 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.187 5.806 -5.750 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.498 6.331 -6.014 1.00 0.00 C ATOM 1292 C LYS A 81 -15.209 5.456 -7.044 1.00 0.00 C ATOM 1293 O LYS A 81 -16.434 5.469 -7.138 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.420 7.777 -6.510 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.582 8.651 -5.547 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.101 8.555 -4.100 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.357 9.972 -3.551 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.070 10.047 -2.094 1.00 0.00 N ATOM 0 H LYS A 81 -12.414 6.413 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.066 6.324 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.977 7.800 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.425 8.189 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.539 8.336 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.612 9.689 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.020 7.970 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.373 8.037 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.733 10.689 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.394 10.254 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.347 10.982 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.608 9.310 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.053 9.902 -1.933 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.427 4.845 -7.934 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.000 4.108 -9.066 1.00 0.00 C ATOM 1314 C LYS A 82 -14.446 2.678 -9.182 1.00 0.00 C ATOM 1315 O LYS A 82 -14.991 1.858 -9.935 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.739 4.887 -10.364 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.239 6.334 -10.182 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.775 6.339 -10.082 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.266 7.569 -9.300 1.00 0.00 C ATOM 1320 NZ LYS A 82 -17.939 7.100 -8.060 1.00 0.00 N ATOM 0 H LYS A 82 -13.408 4.844 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.072 4.015 -8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.675 4.882 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.253 4.412 -11.200 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.804 6.770 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.917 6.949 -11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.209 6.341 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.115 5.429 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.428 8.221 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.956 8.154 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.367 7.911 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.681 6.414 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.241 6.647 -7.436 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.326 2.406 -8.508 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.656 1.095 -8.599 1.00 0.00 C ATOM 1336 C LYS A 83 -12.021 0.704 -7.272 1.00 0.00 C ATOM 1337 O LYS A 83 -11.912 1.524 -6.365 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.579 1.110 -9.690 1.00 0.00 C ATOM 1339 CG LYS A 83 -12.215 1.380 -11.061 1.00 0.00 C ATOM 1340 CD LYS A 83 -13.100 0.194 -11.471 1.00 0.00 C ATOM 1341 CE LYS A 83 -14.030 0.622 -12.609 1.00 0.00 C ATOM 1342 NZ LYS A 83 -15.406 0.764 -12.077 1.00 0.00 N ATOM 0 H LYS A 83 -12.860 3.072 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.419 0.359 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.837 1.877 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.055 0.155 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.810 2.292 -11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.437 1.539 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.480 -0.644 -11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.685 -0.149 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.692 1.566 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.010 -0.117 -13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.875 1.569 -12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.944 -0.106 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.366 0.928 -11.051 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.536 -0.523 -7.197 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.840 -1.014 -6.016 1.00 0.00 C ATOM 1358 C ILE A 84 -9.349 -1.062 -6.329 1.00 0.00 C ATOM 1359 O ILE A 84 -8.953 -1.619 -7.350 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.343 -2.422 -5.685 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.862 -2.395 -5.543 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.735 -2.890 -4.355 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.390 -3.819 -5.467 1.00 0.00 C ATOM 0 H ILE A 84 -11.612 -1.207 -7.950 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.023 -0.360 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.051 -3.103 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.144 -1.843 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.308 -1.875 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.095 -3.892 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.648 -2.905 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.029 -2.205 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.475 -3.800 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.120 -4.356 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -12.954 -4.323 -4.605 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.537 -0.435 -5.496 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.102 -0.348 -5.752 1.00 0.00 C ATOM 1377 C ALA A 85 -6.298 -1.141 -4.738 1.00 0.00 C ATOM 1378 O ALA A 85 -6.746 -1.382 -3.614 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.640 1.117 -5.766 1.00 0.00 C ATOM 0 H ALA A 85 -8.842 0.022 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.923 -0.785 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.568 1.159 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.170 1.658 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.853 1.575 -4.800 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.096 -1.506 -5.139 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.157 -2.236 -4.301 1.00 0.00 C ATOM 1387 C LEU A 86 -2.959 -1.372 -3.958 1.00 0.00 C ATOM 1388 O LEU A 86 -2.356 -0.764 -4.841 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.708 -3.520 -5.020 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.380 -4.049 -4.443 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.570 -4.532 -3.011 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.877 -5.201 -5.308 1.00 0.00 C ATOM 0 H LEU A 86 -4.736 -1.302 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.655 -2.506 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.480 -4.283 -4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.591 -3.321 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.650 -3.239 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.621 -4.901 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.919 -3.706 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.307 -5.335 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.938 -5.577 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.617 -6.002 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.717 -4.848 -6.327 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.593 -1.352 -2.693 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.425 -0.617 -2.258 1.00 0.00 C ATOM 1406 C VAL A 87 -0.381 -1.593 -1.726 1.00 0.00 C ATOM 1407 O VAL A 87 -0.691 -2.449 -0.886 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.813 0.388 -1.169 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.592 1.222 -0.767 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.931 1.309 -1.685 1.00 0.00 C ATOM 0 H VAL A 87 -3.090 -1.838 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.007 -0.070 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.173 -0.155 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.877 1.934 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.189 0.564 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.218 1.762 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.203 2.022 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.581 1.849 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.803 0.710 -1.950 1.00 0.00 H new ATOM 1420 N HIS A 88 0.840 -1.471 -2.226 1.00 0.00 N ATOM 1421 CA HIS A 88 1.948 -2.342 -1.827 1.00 0.00 C ATOM 1422 C HIS A 88 3.061 -1.511 -1.226 1.00 0.00 C ATOM 1423 O HIS A 88 3.538 -0.576 -1.867 1.00 0.00 O ATOM 1424 CB HIS A 88 2.475 -3.093 -3.055 1.00 0.00 C ATOM 1425 CG HIS A 88 3.181 -4.362 -2.650 1.00 0.00 C ATOM 1426 ND1 HIS A 88 3.818 -5.165 -3.578 1.00 0.00 N ATOM 1427 CD2 HIS A 88 3.368 -4.975 -1.433 1.00 0.00 C ATOM 1428 CE1 HIS A 88 4.353 -6.206 -2.918 1.00 0.00 C ATOM 1429 NE2 HIS A 88 4.108 -6.141 -1.608 1.00 0.00 N ATOM 0 H HIS A 88 1.096 -0.768 -2.919 1.00 0.00 H new ATOM 0 HA HIS A 88 1.594 -3.059 -1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.647 -3.330 -3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.160 -2.453 -3.611 1.00 0.00 H new ATOM 0 HD1 HIS A 88 3.872 -4.997 -4.583 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.998 -4.608 -0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.913 -6.999 -3.391 1.00 0.00 H new ATOM 1438 N LEU A 89 3.434 -1.802 0.019 1.00 0.00 N ATOM 1439 CA LEU A 89 4.459 -1.020 0.704 1.00 0.00 C ATOM 1440 C LEU A 89 5.505 -1.895 1.400 1.00 0.00 C ATOM 1441 O LEU A 89 5.160 -2.742 2.242 1.00 0.00 O ATOM 1442 CB LEU A 89 3.809 -0.066 1.720 1.00 0.00 C ATOM 1443 CG LEU A 89 4.884 0.851 2.340 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.279 2.217 2.676 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.432 0.212 3.624 1.00 0.00 C ATOM 0 H LEU A 89 3.045 -2.567 0.570 1.00 0.00 H new ATOM 0 HA LEU A 89 4.981 -0.444 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.044 0.536 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.311 -0.638 2.503 1.00 0.00 H new ATOM 0 HG LEU A 89 5.692 0.981 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.046 2.857 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.896 2.679 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.464 2.089 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.191 0.862 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.620 0.075 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.875 -0.756 3.388 1.00 0.00 H new ATOM 1457 N GLU A 90 6.775 -1.534 1.208 1.00 0.00 N ATOM 1458 CA GLU A 90 7.867 -2.089 1.995 1.00 0.00 C ATOM 1459 C GLU A 90 8.508 -1.004 2.831 1.00 0.00 C ATOM 1460 O GLU A 90 8.809 0.091 2.333 1.00 0.00 O ATOM 1461 CB GLU A 90 8.959 -2.752 1.149 1.00 0.00 C ATOM 1462 CG GLU A 90 8.500 -4.104 0.598 1.00 0.00 C ATOM 1463 CD GLU A 90 9.626 -4.733 -0.208 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.771 -4.405 0.052 1.00 0.00 O ATOM 1465 OE2 GLU A 90 9.347 -5.560 -1.042 1.00 0.00 O ATOM 0 H GLU A 90 7.070 -0.854 0.507 1.00 0.00 H new ATOM 0 HA GLU A 90 7.419 -2.861 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.230 -2.095 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.855 -2.890 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.212 -4.764 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.619 -3.972 -0.030 1.00 0.00 H new ATOM 1472 N ALA A 91 8.815 -1.344 4.053 1.00 0.00 N ATOM 1473 CA ALA A 91 9.515 -0.451 4.954 1.00 0.00 C ATOM 1474 C ALA A 91 10.383 -1.270 5.865 1.00 0.00 C ATOM 1475 O ALA A 91 10.062 -2.413 6.141 1.00 0.00 O ATOM 1476 CB ALA A 91 8.524 0.368 5.784 1.00 0.00 C ATOM 0 H ALA A 91 8.588 -2.251 4.460 1.00 0.00 H new ATOM 0 HA ALA A 91 10.125 0.240 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.071 1.032 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.895 0.961 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.898 -0.304 6.371 1.00 0.00 H new ATOM 1482 N LYS A 92 11.452 -0.699 6.359 1.00 0.00 N ATOM 1483 CA LYS A 92 12.293 -1.427 7.290 1.00 0.00 C ATOM 1484 C LYS A 92 12.454 -0.678 8.583 1.00 0.00 C ATOM 1485 O LYS A 92 12.825 0.503 8.584 1.00 0.00 O ATOM 1486 CB LYS A 92 13.642 -1.804 6.673 1.00 0.00 C ATOM 1487 CG LYS A 92 14.383 -0.561 6.166 1.00 0.00 C ATOM 1488 CD LYS A 92 15.653 -1.018 5.444 1.00 0.00 C ATOM 1489 CE LYS A 92 16.411 0.186 4.878 1.00 0.00 C ATOM 1490 NZ LYS A 92 17.621 -0.292 4.164 1.00 0.00 N ATOM 0 H LYS A 92 11.761 0.248 6.141 1.00 0.00 H new ATOM 0 HA LYS A 92 11.785 -2.364 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.253 -2.319 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.487 -2.500 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.747 0.010 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.635 0.096 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.294 -1.567 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.393 -1.704 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.770 0.747 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.693 0.865 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.056 0.500 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.301 -0.674 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.354 -1.037 3.490 1.00 0.00 H new ATOM 1504 N GLU A 93 12.138 -1.346 9.684 1.00 0.00 N ATOM 1505 CA GLU A 93 12.207 -0.724 10.978 1.00 0.00 C ATOM 1506 C GLU A 93 13.660 -0.513 11.307 1.00 0.00 C ATOM 1507 O GLU A 93 14.418 -1.480 11.484 1.00 0.00 O ATOM 1508 CB GLU A 93 11.540 -1.629 12.019 1.00 0.00 C ATOM 1509 CG GLU A 93 10.106 -1.953 11.545 1.00 0.00 C ATOM 1510 CD GLU A 93 9.373 -2.838 12.528 1.00 0.00 C ATOM 1511 OE1 GLU A 93 9.972 -3.744 13.057 1.00 0.00 O ATOM 1512 OE2 GLU A 93 8.194 -2.617 12.719 1.00 0.00 O ATOM 0 H GLU A 93 11.832 -2.319 9.696 1.00 0.00 H new ATOM 0 HA GLU A 93 11.685 0.233 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.113 -2.547 12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.515 -1.134 12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.551 -1.025 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.147 -2.446 10.574 1.00 0.00 H new ATOM 1519 N SER A 94 14.085 0.729 11.257 1.00 0.00 N ATOM 1520 CA SER A 94 15.481 1.032 11.429 1.00 0.00 C ATOM 1521 C SER A 94 15.906 1.002 12.876 1.00 0.00 C ATOM 1522 O SER A 94 15.080 0.879 13.772 1.00 0.00 O ATOM 1523 CB SER A 94 15.903 2.308 10.704 1.00 0.00 C ATOM 1524 OG SER A 94 16.140 1.998 9.320 1.00 0.00 O ATOM 0 H SER A 94 13.485 1.539 11.099 1.00 0.00 H new ATOM 0 HA SER A 94 16.030 0.226 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.126 3.067 10.793 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.804 2.720 11.158 1.00 0.00 H new ATOM 0 HG SER A 94 15.933 2.782 8.769 1.00 0.00 H new ATOM 1604 N GLN A 99 9.883 3.924 14.001 1.00 0.00 N ATOM 1605 CA GLN A 99 9.126 3.423 12.864 1.00 0.00 C ATOM 1606 C GLN A 99 10.043 3.120 11.688 1.00 0.00 C ATOM 1607 O GLN A 99 11.149 3.652 11.599 1.00 0.00 O ATOM 1608 CB GLN A 99 8.060 4.444 12.451 1.00 0.00 C ATOM 1609 CG GLN A 99 6.911 4.427 13.466 1.00 0.00 C ATOM 1610 CD GLN A 99 5.799 3.513 12.974 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.776 3.988 12.484 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.938 2.225 13.064 1.00 0.00 N ATOM 0 HA GLN A 99 8.637 2.495 13.162 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.498 5.441 12.399 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.683 4.209 11.456 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.275 4.083 14.434 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.527 5.437 13.610 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.786 1.831 13.470 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.199 1.608 12.728 1.00 0.00 H new ATOM 1621 N PRO A 100 9.620 2.245 10.814 1.00 0.00 N ATOM 1622 CA PRO A 100 10.433 1.847 9.635 1.00 0.00 C ATOM 1623 C PRO A 100 10.517 2.917 8.574 1.00 0.00 C ATOM 1624 O PRO A 100 9.555 3.659 8.337 1.00 0.00 O ATOM 1625 CB PRO A 100 9.724 0.607 9.112 1.00 0.00 C ATOM 1626 CG PRO A 100 8.295 0.833 9.459 1.00 0.00 C ATOM 1627 CD PRO A 100 8.302 1.570 10.802 1.00 0.00 C ATOM 0 HA PRO A 100 11.473 1.672 9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.860 0.494 8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.109 -0.299 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.795 1.424 8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.757 -0.112 9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.483 2.286 10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.196 0.881 11.640 1.00 0.00 H new ATOM 1635 N ASP A 101 11.620 2.898 7.846 1.00 0.00 N ATOM 1636 CA ASP A 101 11.784 3.761 6.695 1.00 0.00 C ATOM 1637 C ASP A 101 11.038 3.134 5.537 1.00 0.00 C ATOM 1638 O ASP A 101 11.134 1.918 5.333 1.00 0.00 O ATOM 1639 CB ASP A 101 13.277 3.879 6.328 1.00 0.00 C ATOM 1640 CG ASP A 101 14.075 4.475 7.476 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.697 5.522 7.964 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.072 3.879 7.851 1.00 0.00 O ATOM 0 H ASP A 101 12.417 2.290 8.035 1.00 0.00 H new ATOM 0 HA ASP A 101 11.398 4.756 6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.673 2.895 6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.389 4.502 5.441 1.00 0.00 H new ATOM 1647 N PHE A 102 10.302 3.931 4.776 1.00 0.00 N ATOM 1648 CA PHE A 102 9.527 3.382 3.667 1.00 0.00 C ATOM 1649 C PHE A 102 10.414 3.163 2.459 1.00 0.00 C ATOM 1650 O PHE A 102 10.699 4.096 1.702 1.00 0.00 O ATOM 1651 CB PHE A 102 8.374 4.317 3.304 1.00 0.00 C ATOM 1652 CG PHE A 102 7.390 4.381 4.450 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.516 3.316 4.669 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.348 5.503 5.286 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.599 3.366 5.722 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.429 5.554 6.343 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.555 4.484 6.560 1.00 0.00 C ATOM 0 H PHE A 102 10.223 4.940 4.900 1.00 0.00 H new ATOM 0 HA PHE A 102 9.115 2.423 3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.757 5.314 3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.875 3.962 2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.548 2.451 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.023 6.329 5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 102 4.923 2.540 5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.396 6.419 6.989 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.847 4.521 7.374 1.00 0.00 H new ATOM 1667 N ILE A 103 10.868 1.932 2.305 1.00 0.00 N ATOM 1668 CA ILE A 103 11.748 1.548 1.216 1.00 0.00 C ATOM 1669 C ILE A 103 11.030 1.626 -0.125 1.00 0.00 C ATOM 1670 O ILE A 103 11.604 2.047 -1.123 1.00 0.00 O ATOM 1671 CB ILE A 103 12.228 0.108 1.444 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.112 0.052 2.687 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.040 -0.378 0.235 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.370 -1.405 3.040 1.00 0.00 C ATOM 0 H ILE A 103 10.635 1.166 2.936 1.00 0.00 H new ATOM 0 HA ILE A 103 12.593 2.236 1.196 1.00 0.00 H new ATOM 0 HB ILE A 103 11.356 -0.533 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.054 0.568 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.626 0.562 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.375 -1.401 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.416 -0.347 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.906 0.269 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.001 -1.458 3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.422 -1.905 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.872 -1.898 2.207 1.00 0.00 H new ATOM 1686 N ASN A 104 9.818 1.101 -0.158 1.00 0.00 N ATOM 1687 CA ASN A 104 9.061 0.978 -1.399 1.00 0.00 C ATOM 1688 C ASN A 104 7.587 1.057 -1.116 1.00 0.00 C ATOM 1689 O ASN A 104 7.103 0.437 -0.170 1.00 0.00 O ATOM 1690 CB ASN A 104 9.373 -0.374 -2.070 1.00 0.00 C ATOM 1691 CG ASN A 104 8.524 -0.565 -3.331 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.299 -0.473 -3.283 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.100 -0.849 -4.452 1.00 0.00 N ATOM 0 H ASN A 104 9.330 0.749 0.666 1.00 0.00 H new ATOM 0 HA ASN A 104 9.347 1.793 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.431 -0.421 -2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.179 -1.186 -1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.539 -0.996 -5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.116 -0.927 -4.498 1.00 0.00 H new ATOM 1700 N MET A 105 6.858 1.733 -1.975 1.00 0.00 N ATOM 1701 CA MET A 105 5.419 1.769 -1.857 1.00 0.00 C ATOM 1702 C MET A 105 4.768 2.188 -3.170 1.00 0.00 C ATOM 1703 O MET A 105 5.138 3.218 -3.765 1.00 0.00 O ATOM 1704 CB MET A 105 4.974 2.630 -0.644 1.00 0.00 C ATOM 1705 CG MET A 105 4.255 3.907 -1.085 1.00 0.00 C ATOM 1706 SD MET A 105 2.569 3.507 -1.617 1.00 0.00 S ATOM 1707 CE MET A 105 1.895 3.149 0.025 1.00 0.00 C ATOM 0 H MET A 105 7.236 2.263 -2.760 1.00 0.00 H new ATOM 0 HA MET A 105 5.064 0.759 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.314 2.044 -0.005 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.846 2.893 -0.045 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.227 4.622 -0.263 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.801 4.380 -1.901 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.833 3.394 0.044 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.027 2.091 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.419 3.746 0.771 1.00 0.00 H new ATOM 1717 N TYR A 106 3.813 1.391 -3.638 1.00 0.00 N ATOM 1718 CA TYR A 106 3.125 1.694 -4.883 1.00 0.00 C ATOM 1719 C TYR A 106 1.668 1.298 -4.821 1.00 0.00 C ATOM 1720 O TYR A 106 1.258 0.494 -3.970 1.00 0.00 O ATOM 1721 CB TYR A 106 3.811 1.051 -6.104 1.00 0.00 C ATOM 1722 CG TYR A 106 3.785 -0.461 -6.032 1.00 0.00 C ATOM 1723 CD1 TYR A 106 2.704 -1.168 -6.578 1.00 0.00 C ATOM 1724 CD2 TYR A 106 4.849 -1.154 -5.446 1.00 0.00 C ATOM 1725 CE1 TYR A 106 2.690 -2.564 -6.536 1.00 0.00 C ATOM 1726 CE2 TYR A 106 4.832 -2.551 -5.402 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.753 -3.256 -5.947 1.00 0.00 C ATOM 1728 OH TYR A 106 3.743 -4.637 -5.903 1.00 0.00 O ATOM 0 H TYR A 106 3.501 0.537 -3.176 1.00 0.00 H new ATOM 0 HA TYR A 106 3.181 2.775 -5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.313 1.380 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.844 1.394 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.882 -0.633 -7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.683 -0.610 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.859 -3.109 -6.958 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.652 -3.087 -4.947 1.00 0.00 H new ATOM 0 HH TYR A 106 4.597 -4.981 -6.239 1.00 0.00 H new ATOM 1738 N VAL A 107 0.884 1.890 -5.700 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.537 1.658 -5.741 1.00 0.00 C ATOM 1740 C VAL A 107 -0.918 1.044 -7.082 1.00 0.00 C ATOM 1741 O VAL A 107 -0.622 1.613 -8.144 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.261 3.000 -5.549 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.763 2.844 -5.769 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -0.997 3.531 -4.143 1.00 0.00 C ATOM 0 H VAL A 107 1.220 2.546 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.827 0.969 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.878 3.707 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.253 3.807 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.947 2.488 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.163 2.125 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.512 4.483 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.364 2.814 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.074 3.676 -4.004 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.612 -0.079 -7.025 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.098 -0.759 -8.211 1.00 0.00 C ATOM 1756 C ASP A 108 -3.569 -0.444 -8.402 1.00 0.00 C ATOM 1757 O ASP A 108 -4.421 -0.903 -7.622 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.905 -2.275 -8.065 1.00 0.00 C ATOM 1759 CG ASP A 108 -2.055 -2.987 -9.401 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.667 -2.438 -10.297 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.571 -4.084 -9.507 1.00 0.00 O ATOM 0 H ASP A 108 -1.855 -0.546 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.536 -0.416 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.917 -2.479 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.634 -2.669 -7.357 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.872 0.346 -9.412 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.243 0.726 -9.702 1.00 0.00 C ATOM 1768 C VAL A 109 -5.734 -0.019 -10.944 1.00 0.00 C ATOM 1769 O VAL A 109 -5.054 -0.042 -11.971 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.328 2.249 -9.906 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.782 2.676 -10.150 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.794 2.965 -8.656 1.00 0.00 C ATOM 0 H VAL A 109 -3.182 0.741 -10.051 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.883 0.455 -8.862 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.727 2.520 -10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.825 3.756 -10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.163 2.177 -11.041 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.392 2.399 -9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.854 4.044 -8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.393 2.681 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.756 2.679 -8.489 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.869 -0.670 -10.854 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.406 -1.466 -11.995 1.00 0.00 C ATOM 1784 C PRO A 110 -7.723 -0.581 -13.191 1.00 0.00 C ATOM 1785 O PRO A 110 -8.151 0.571 -13.037 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.676 -2.090 -11.425 1.00 0.00 C ATOM 1787 CG PRO A 110 -9.122 -1.131 -10.384 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.851 -0.566 -9.760 1.00 0.00 C ATOM 0 HA PRO A 110 -6.694 -2.205 -12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.435 -2.221 -12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.479 -3.075 -11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.729 -0.337 -10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.737 -1.628 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.985 0.466 -9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.542 -1.138 -8.885 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.475 -1.100 -14.378 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.675 -0.338 -15.603 1.00 0.00 C ATOM 1798 C GLY A 111 -6.610 0.748 -15.739 1.00 0.00 C ATOM 1799 O GLY A 111 -6.234 1.122 -16.850 1.00 0.00 O ATOM 0 H GLY A 111 -7.133 -2.050 -14.524 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.634 -1.005 -16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.666 0.115 -15.598 1.00 0.00 H new ATOM 1803 N GLU A 112 -6.113 1.232 -14.610 1.00 0.00 N ATOM 1804 CA GLU A 112 -5.097 2.269 -14.592 1.00 0.00 C ATOM 1805 C GLU A 112 -3.730 1.639 -14.409 1.00 0.00 C ATOM 1806 O GLU A 112 -3.627 0.440 -14.132 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.355 3.236 -13.434 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.760 3.836 -13.549 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.918 4.567 -14.859 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -6.129 5.442 -15.128 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.828 4.239 -15.584 1.00 0.00 O ATOM 0 H GLU A 112 -6.403 0.917 -13.684 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.133 2.813 -15.536 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.252 2.712 -12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.610 4.032 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.506 3.045 -13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.938 4.521 -12.720 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.686 2.426 -14.601 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.330 1.939 -14.455 1.00 0.00 C ATOM 1820 C LYS A 113 -0.890 2.053 -12.999 1.00 0.00 C ATOM 1821 O LYS A 113 -1.266 3.008 -12.302 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.380 2.747 -15.342 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.968 2.885 -16.759 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.523 1.537 -17.218 1.00 0.00 C ATOM 1825 CE LYS A 113 -1.565 1.479 -18.745 1.00 0.00 C ATOM 1826 NZ LYS A 113 -2.153 2.735 -19.273 1.00 0.00 N ATOM 0 H LYS A 113 -2.755 3.410 -14.860 1.00 0.00 H new ATOM 0 HA LYS A 113 -1.300 0.893 -14.760 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.218 3.734 -14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.592 2.256 -15.389 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.758 3.636 -16.764 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.199 3.227 -17.451 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.902 0.729 -16.833 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.524 1.390 -16.813 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.559 1.341 -19.142 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.156 0.623 -19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.494 2.578 -20.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.948 3.026 -18.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.430 3.482 -19.277 1.00 0.00 H new ATOM 1840 N ARG A 114 -0.095 1.096 -12.552 1.00 0.00 N ATOM 1841 CA ARG A 114 0.378 1.075 -11.168 1.00 0.00 C ATOM 1842 C ARG A 114 1.174 2.323 -10.850 1.00 0.00 C ATOM 1843 O ARG A 114 2.056 2.726 -11.616 1.00 0.00 O ATOM 1844 CB ARG A 114 1.224 -0.174 -10.894 1.00 0.00 C ATOM 1845 CG ARG A 114 2.065 -0.521 -12.133 1.00 0.00 C ATOM 1846 CD ARG A 114 1.666 -1.911 -12.662 1.00 0.00 C ATOM 1847 NE ARG A 114 1.773 -1.956 -14.122 1.00 0.00 N ATOM 1848 CZ ARG A 114 1.250 -2.956 -14.842 1.00 0.00 C ATOM 1849 NH1 ARG A 114 0.659 -3.950 -14.237 1.00 0.00 N ATOM 1850 NH2 ARG A 114 1.339 -2.939 -16.146 1.00 0.00 N ATOM 0 H ARG A 114 0.240 0.320 -13.124 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.498 1.047 -10.520 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.876 -0.001 -10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.577 -1.013 -10.637 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.914 0.230 -12.908 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.125 -0.509 -11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.309 -2.673 -12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.645 -2.142 -12.359 1.00 0.00 H new ATOM 0 HE ARG A 114 2.261 -1.202 -14.605 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.597 -3.963 -13.219 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.259 -4.714 -14.782 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.807 -2.164 -16.615 1.00 0.00 H new ATOM 0 HH22 ARG A 114 0.940 -3.701 -16.694 1.00 0.00 H new ATOM 1864 N TYR A 115 0.853 2.937 -9.731 1.00 0.00 N ATOM 1865 CA TYR A 115 1.505 4.168 -9.312 1.00 0.00 C ATOM 1866 C TYR A 115 2.513 3.886 -8.211 1.00 0.00 C ATOM 1867 O TYR A 115 2.148 3.356 -7.162 1.00 0.00 O ATOM 1868 CB TYR A 115 0.442 5.152 -8.807 1.00 0.00 C ATOM 1869 CG TYR A 115 1.021 6.535 -8.610 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.051 7.440 -9.679 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.509 6.920 -7.354 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.565 8.724 -9.490 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.026 8.204 -7.170 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.053 9.107 -8.236 1.00 0.00 C ATOM 1875 OH TYR A 115 2.551 10.378 -8.046 1.00 0.00 O ATOM 0 H TYR A 115 0.137 2.602 -9.086 1.00 0.00 H new ATOM 0 HA TYR A 115 2.034 4.601 -10.161 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.381 5.199 -9.520 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.028 4.791 -7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.677 7.145 -10.648 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.485 6.224 -6.529 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.586 9.423 -10.313 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.405 8.499 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 115 2.371 10.922 -8.841 1.00 0.00 H new ATOM 1885 N TYR A 116 3.747 4.325 -8.401 1.00 0.00 N ATOM 1886 CA TYR A 116 4.760 4.171 -7.369 1.00 0.00 C ATOM 1887 C TYR A 116 4.886 5.434 -6.556 1.00 0.00 C ATOM 1888 O TYR A 116 5.619 6.356 -6.916 1.00 0.00 O ATOM 1889 CB TYR A 116 6.115 3.789 -7.981 1.00 0.00 C ATOM 1890 CG TYR A 116 6.115 2.313 -8.308 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.376 1.832 -9.393 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.856 1.425 -7.516 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.374 0.463 -9.684 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.854 0.061 -7.809 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.116 -0.421 -8.890 1.00 0.00 C ATOM 1896 OH TYR A 116 6.116 -1.767 -9.172 1.00 0.00 O ATOM 0 H TYR A 116 4.069 4.786 -9.252 1.00 0.00 H new ATOM 0 HA TYR A 116 4.447 3.363 -6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.298 4.373 -8.883 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.920 4.019 -7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.807 2.516 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.428 1.797 -6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.801 0.089 -10.520 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.425 -0.623 -7.198 1.00 0.00 H new ATOM 0 HH TYR A 116 6.682 -2.237 -8.525 1.00 0.00 H new ATOM 1906 N LEU A 117 4.232 5.433 -5.410 1.00 0.00 N ATOM 1907 CA LEU A 117 4.306 6.537 -4.479 1.00 0.00 C ATOM 1908 C LEU A 117 5.729 6.691 -3.959 1.00 0.00 C ATOM 1909 O LEU A 117 6.256 7.807 -3.876 1.00 0.00 O ATOM 1910 CB LEU A 117 3.317 6.320 -3.324 1.00 0.00 C ATOM 1911 CG LEU A 117 3.411 7.468 -2.306 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.088 8.800 -2.982 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.430 7.220 -1.155 1.00 0.00 C ATOM 0 H LEU A 117 3.635 4.666 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 117 4.032 7.458 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.302 6.256 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.529 5.371 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 117 4.427 7.509 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.158 9.605 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.798 8.980 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.077 8.766 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.500 8.036 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.414 7.168 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.677 6.280 -0.662 1.00 0.00 H new ATOM 1925 N ILE A 118 6.356 5.571 -3.628 1.00 0.00 N ATOM 1926 CA ILE A 118 7.721 5.582 -3.127 1.00 0.00 C ATOM 1927 C ILE A 118 8.630 4.746 -4.017 1.00 0.00 C ATOM 1928 O ILE A 118 8.349 3.572 -4.287 1.00 0.00 O ATOM 1929 CB ILE A 118 7.764 5.078 -1.674 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.940 6.017 -0.779 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.210 5.030 -1.164 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.857 5.434 0.632 1.00 0.00 C ATOM 0 H ILE A 118 5.940 4.643 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 118 8.085 6.609 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 118 7.345 4.072 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.400 7.005 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.939 6.144 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.221 4.671 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.794 4.355 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.643 6.029 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.273 6.100 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.378 4.456 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.861 5.330 1.042 1.00 0.00 H new ATOM 1944 N LYS A 119 9.712 5.360 -4.464 1.00 0.00 N ATOM 1945 CA LYS A 119 10.680 4.702 -5.324 1.00 0.00 C ATOM 1946 C LYS A 119 11.841 4.158 -4.495 1.00 0.00 C ATOM 1947 O LYS A 119 12.581 4.930 -3.872 1.00 0.00 O ATOM 1948 CB LYS A 119 11.221 5.680 -6.385 1.00 0.00 C ATOM 1949 CG LYS A 119 10.244 6.849 -6.609 1.00 0.00 C ATOM 1950 CD LYS A 119 8.906 6.323 -7.168 1.00 0.00 C ATOM 1951 CE LYS A 119 8.096 7.478 -7.782 1.00 0.00 C ATOM 1952 NZ LYS A 119 9.018 8.497 -8.353 1.00 0.00 N ATOM 0 H LYS A 119 9.944 6.328 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 119 10.178 3.876 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.189 6.067 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.381 5.151 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.073 7.375 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.679 7.569 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.094 5.559 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.332 5.850 -6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.435 7.096 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.463 7.934 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.477 9.165 -8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.486 9.014 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.736 8.026 -8.939 1.00 0.00 H new ATOM 1966 N PRO A 120 12.018 2.861 -4.471 1.00 0.00 N ATOM 1967 CA PRO A 120 13.128 2.234 -3.688 1.00 0.00 C ATOM 1968 C PRO A 120 14.495 2.568 -4.261 1.00 0.00 C ATOM 1969 O PRO A 120 14.659 2.707 -5.481 1.00 0.00 O ATOM 1970 CB PRO A 120 12.857 0.743 -3.814 1.00 0.00 C ATOM 1971 CG PRO A 120 12.189 0.616 -5.145 1.00 0.00 C ATOM 1972 CD PRO A 120 11.308 1.854 -5.288 1.00 0.00 C ATOM 0 HA PRO A 120 13.149 2.592 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.779 0.163 -3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.217 0.383 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.924 0.564 -5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.594 -0.296 -5.198 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.218 2.168 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.297 1.675 -4.921 1.00 0.00 H new ATOM 1980 N LYS A 121 15.482 2.614 -3.383 1.00 0.00 N ATOM 1981 CA LYS A 121 16.857 2.874 -3.774 1.00 0.00 C ATOM 1982 C LYS A 121 17.426 1.721 -4.626 1.00 0.00 C ATOM 1983 O LYS A 121 18.492 1.163 -4.332 1.00 0.00 O ATOM 1984 CB LYS A 121 17.722 3.139 -2.515 1.00 0.00 C ATOM 1985 CG LYS A 121 18.113 1.835 -1.773 1.00 0.00 C ATOM 1986 CD LYS A 121 16.958 0.815 -1.725 1.00 0.00 C ATOM 1987 CE LYS A 121 17.558 -0.594 -1.658 1.00 0.00 C ATOM 1988 NZ LYS A 121 18.458 -0.801 -2.829 1.00 0.00 N ATOM 0 H LYS A 121 15.354 2.473 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 121 16.880 3.767 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.627 3.672 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.175 3.790 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 121 18.973 1.383 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 121 18.422 2.078 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.325 0.999 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.326 0.916 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 121 18.115 -0.721 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.764 -1.341 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.347 -1.772 -3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.210 -0.127 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.445 -0.649 -2.539 1.00 0.00 H new