USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot 150:sc= -0.398 USER MOD Set 1.2: A 100 MET CE :methyl -149:sc= -6.93! (180deg=-6.51!) USER MOD Set 2.1: A 72 SER OG : rot 143:sc= -0.145 USER MOD Set 2.2: A 94 TYR OH : rot 143:sc= 0.81 USER MOD Set 3.1: A 38 ASN : amide:sc= -0.648 X(o=-1.3,f=-0.92) USER MOD Set 3.2: A 61 ASN : amide:sc= -0.632 K(o=-1.3,f=-0.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.102 (180deg=-1.18!) USER MOD Single : A 3 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.027) USER MOD Single : A 8 SER OG : rot -67:sc= -12.9! USER MOD Single : A 13 ASN : amide:sc=-0.00902 X(o=-0.009,f=-0.21) USER MOD Single : A 14 THR OG1 : rot 102:sc= 0.15 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -169:sc= -1.78 (180deg=-1.89) USER MOD Single : A 22 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.24) USER MOD Single : A 32 GLN : amide:sc= -4.68! C(o=-4.7!,f=-7.3!) USER MOD Single : A 41 GLN : amide:sc= -6.89! C(o=-6.9!,f=-6.9!) USER MOD Single : A 42 TYR OH : rot -112:sc= -2.35! USER MOD Single : A 43 ASN : amide:sc= -11.7! C(o=-12!,f=-22!) USER MOD Single : A 50 THR OG1 : rot -110:sc= -2.89! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00119 USER MOD Single : A 87 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.011) USER MOD Single : A 89 ASN : amide:sc= -1.16 K(o=-1.2,f=-7.1!) USER MOD Single : A 90 THR OG1 : rot 130:sc= -0.113 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 6:sc= 0.452 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 103 THR OG1 : rot 13:sc= 0.555 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 108 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-1.8!) USER MOD Single : A 109 MET CE :methyl -144:sc= -2.15 (180deg=-4.74!) USER MOD Single : A 110 LYS NZ :NH3+ 145:sc= -0.204 (180deg=-1.19!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -42:sc= 0.767 USER MOD Single : A 118 TYR OH : rot -153:sc= -3.32! USER MOD Single : A 123 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.448 8.437 13.114 1.00 0.00 N ATOM 2 CA MET A 1 17.063 8.326 11.762 1.00 0.00 C ATOM 3 C MET A 1 16.396 7.186 10.989 1.00 0.00 C ATOM 4 O MET A 1 15.868 6.258 11.569 1.00 0.00 O ATOM 5 CB MET A 1 18.561 8.039 11.905 1.00 0.00 C ATOM 6 CG MET A 1 18.760 6.708 12.631 1.00 0.00 C ATOM 7 SD MET A 1 20.477 6.575 13.186 1.00 0.00 S ATOM 8 CE MET A 1 20.190 5.397 14.530 1.00 0.00 C ATOM 0 H1 MET A 1 17.186 8.649 13.815 1.00 0.00 H new ATOM 0 H2 MET A 1 15.742 9.201 13.113 1.00 0.00 H new ATOM 0 H3 MET A 1 15.986 7.538 13.360 1.00 0.00 H new ATOM 0 HA MET A 1 16.922 9.262 11.221 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.030 8.002 10.922 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.045 8.843 12.459 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.085 6.642 13.484 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.516 5.879 11.967 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.136 5.168 15.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.501 5.832 15.254 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.761 4.481 14.125 1.00 0.00 H new ATOM 20 N GLU A 2 16.417 7.248 9.687 1.00 0.00 N ATOM 21 CA GLU A 2 15.784 6.167 8.880 1.00 0.00 C ATOM 22 C GLU A 2 14.323 5.998 9.305 1.00 0.00 C ATOM 23 O GLU A 2 13.905 4.936 9.720 1.00 0.00 O ATOM 24 CB GLU A 2 16.535 4.854 9.109 1.00 0.00 C ATOM 25 CG GLU A 2 16.299 3.918 7.923 1.00 0.00 C ATOM 26 CD GLU A 2 15.690 2.607 8.422 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.651 2.663 9.059 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.274 1.569 8.159 1.00 0.00 O ATOM 0 H GLU A 2 16.845 8.000 9.147 1.00 0.00 H new ATOM 0 HA GLU A 2 15.826 6.432 7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.601 5.048 9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.194 4.383 10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.632 4.389 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.239 3.722 7.408 1.00 0.00 H new ATOM 35 N HIS A 3 13.544 7.039 9.204 1.00 0.00 N ATOM 36 CA HIS A 3 12.110 6.941 9.600 1.00 0.00 C ATOM 37 C HIS A 3 11.244 6.836 8.343 1.00 0.00 C ATOM 38 O HIS A 3 10.860 7.828 7.756 1.00 0.00 O ATOM 39 CB HIS A 3 11.716 8.190 10.393 1.00 0.00 C ATOM 40 CG HIS A 3 11.777 7.886 11.864 1.00 0.00 C ATOM 41 ND1 HIS A 3 12.472 8.689 12.756 1.00 0.00 N ATOM 42 CD2 HIS A 3 11.233 6.874 12.615 1.00 0.00 C ATOM 43 CE1 HIS A 3 12.329 8.150 13.982 1.00 0.00 C ATOM 44 NE2 HIS A 3 11.583 7.043 13.952 1.00 0.00 N ATOM 0 H HIS A 3 13.838 7.955 8.864 1.00 0.00 H new ATOM 0 HA HIS A 3 11.959 6.057 10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.388 9.014 10.152 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.710 8.507 10.117 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.626 6.069 12.228 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.765 8.563 14.880 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.325 6.449 14.740 1.00 0.00 H new ATOM 52 N VAL A 4 10.937 5.638 7.920 1.00 0.00 N ATOM 53 CA VAL A 4 10.102 5.473 6.697 1.00 0.00 C ATOM 54 C VAL A 4 9.370 4.128 6.743 1.00 0.00 C ATOM 55 O VAL A 4 9.982 3.102 6.951 1.00 0.00 O ATOM 56 CB VAL A 4 11.006 5.517 5.460 1.00 0.00 C ATOM 57 CG1 VAL A 4 11.982 4.336 5.493 1.00 0.00 C ATOM 58 CG2 VAL A 4 10.149 5.428 4.194 1.00 0.00 C ATOM 0 H VAL A 4 11.228 4.769 8.368 1.00 0.00 H new ATOM 0 HA VAL A 4 9.369 6.278 6.649 1.00 0.00 H new ATOM 0 HB VAL A 4 11.565 6.453 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.624 4.370 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.596 4.396 6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.422 3.401 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.793 5.459 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.588 4.493 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.455 6.268 4.165 1.00 0.00 H new ATOM 68 N ALA A 5 8.067 4.148 6.531 1.00 0.00 N ATOM 69 CA ALA A 5 7.215 2.898 6.525 1.00 0.00 C ATOM 70 C ALA A 5 7.861 1.734 7.289 1.00 0.00 C ATOM 71 O ALA A 5 8.442 0.858 6.694 1.00 0.00 O ATOM 72 CB ALA A 5 6.979 2.463 5.074 1.00 0.00 C ATOM 0 H ALA A 5 7.542 5.005 6.356 1.00 0.00 H new ATOM 0 HA ALA A 5 6.278 3.141 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.365 1.562 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.467 3.260 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.937 2.258 4.595 1.00 0.00 H new ATOM 78 N PHE A 6 7.752 1.712 8.594 1.00 0.00 N ATOM 79 CA PHE A 6 8.359 0.588 9.385 1.00 0.00 C ATOM 80 C PHE A 6 9.865 0.519 9.088 1.00 0.00 C ATOM 81 O PHE A 6 10.665 1.129 9.771 1.00 0.00 O ATOM 82 CB PHE A 6 7.685 -0.766 9.048 1.00 0.00 C ATOM 83 CG PHE A 6 6.397 -0.547 8.290 1.00 0.00 C ATOM 84 CD1 PHE A 6 5.276 -0.080 8.978 1.00 0.00 C ATOM 85 CD2 PHE A 6 6.322 -0.801 6.907 1.00 0.00 C ATOM 86 CE1 PHE A 6 4.079 0.132 8.296 1.00 0.00 C ATOM 87 CE2 PHE A 6 5.117 -0.587 6.230 1.00 0.00 C ATOM 88 CZ PHE A 6 4.001 -0.124 6.926 1.00 0.00 C ATOM 0 H PHE A 6 7.271 2.420 9.148 1.00 0.00 H new ATOM 0 HA PHE A 6 8.199 0.781 10.446 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.363 -1.378 8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.483 -1.316 9.967 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.336 0.117 10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.190 -1.159 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.212 0.494 8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.051 -0.780 5.169 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.071 0.038 6.402 1.00 0.00 H new ATOM 98 N GLY A 7 10.262 -0.197 8.068 1.00 0.00 N ATOM 99 CA GLY A 7 11.703 -0.287 7.721 1.00 0.00 C ATOM 100 C GLY A 7 11.829 -0.250 6.200 1.00 0.00 C ATOM 101 O GLY A 7 12.568 -1.007 5.604 1.00 0.00 O ATOM 0 H GLY A 7 9.640 -0.727 7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.254 0.540 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.133 -1.208 8.116 1.00 0.00 H new ATOM 105 N SER A 8 11.081 0.613 5.571 1.00 0.00 N ATOM 106 CA SER A 8 11.114 0.697 4.084 1.00 0.00 C ATOM 107 C SER A 8 12.485 1.168 3.595 1.00 0.00 C ATOM 108 O SER A 8 13.276 1.713 4.340 1.00 0.00 O ATOM 109 CB SER A 8 10.039 1.669 3.584 1.00 0.00 C ATOM 110 OG SER A 8 9.618 2.508 4.647 1.00 0.00 O ATOM 0 H SER A 8 10.444 1.268 6.026 1.00 0.00 H new ATOM 0 HA SER A 8 10.920 -0.299 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.433 2.273 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.189 1.113 3.189 1.00 0.00 H new ATOM 0 HG SER A 8 9.143 1.974 5.317 1.00 0.00 H new ATOM 116 N GLU A 9 12.756 0.967 2.334 1.00 0.00 N ATOM 117 CA GLU A 9 14.059 1.401 1.752 1.00 0.00 C ATOM 118 C GLU A 9 13.800 2.590 0.831 1.00 0.00 C ATOM 119 O GLU A 9 14.038 2.522 -0.359 1.00 0.00 O ATOM 120 CB GLU A 9 14.642 0.258 0.919 1.00 0.00 C ATOM 121 CG GLU A 9 15.649 -0.536 1.754 1.00 0.00 C ATOM 122 CD GLU A 9 16.222 -1.677 0.910 1.00 0.00 C ATOM 123 OE1 GLU A 9 16.148 -1.586 -0.305 1.00 0.00 O ATOM 124 OE2 GLU A 9 16.725 -2.624 1.491 1.00 0.00 O ATOM 0 H GLU A 9 12.123 0.515 1.674 1.00 0.00 H new ATOM 0 HA GLU A 9 14.754 1.673 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.842 -0.399 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.129 0.657 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.452 0.118 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.164 -0.936 2.645 1.00 0.00 H new ATOM 131 N ASP A 10 13.277 3.672 1.350 1.00 0.00 N ATOM 132 CA ASP A 10 12.972 4.830 0.463 1.00 0.00 C ATOM 133 C ASP A 10 12.020 4.329 -0.623 1.00 0.00 C ATOM 134 O ASP A 10 12.400 4.138 -1.761 1.00 0.00 O ATOM 135 CB ASP A 10 14.263 5.350 -0.175 1.00 0.00 C ATOM 136 CG ASP A 10 14.925 6.359 0.763 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.599 5.929 1.685 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.750 7.546 0.544 1.00 0.00 O ATOM 0 H ASP A 10 13.051 3.801 2.336 1.00 0.00 H new ATOM 0 HA ASP A 10 12.520 5.644 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.943 4.521 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.044 5.819 -1.134 1.00 0.00 H new ATOM 143 N ILE A 11 10.791 4.079 -0.264 1.00 0.00 N ATOM 144 CA ILE A 11 9.817 3.549 -1.247 1.00 0.00 C ATOM 145 C ILE A 11 9.409 4.634 -2.227 1.00 0.00 C ATOM 146 O ILE A 11 9.685 4.534 -3.392 1.00 0.00 O ATOM 147 CB ILE A 11 8.566 3.057 -0.544 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.869 2.458 0.828 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.905 1.989 -1.399 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.891 1.344 0.669 1.00 0.00 C ATOM 0 H ILE A 11 10.421 4.222 0.676 1.00 0.00 H new ATOM 0 HA ILE A 11 10.297 2.726 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 11 7.911 3.916 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.253 3.227 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.956 2.069 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.005 1.630 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.639 2.412 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.596 1.158 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.112 0.911 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.489 0.572 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.806 1.748 0.235 1.00 0.00 H new ATOM 162 N GLU A 12 8.716 5.646 -1.762 1.00 0.00 N ATOM 163 CA GLU A 12 8.224 6.737 -2.667 1.00 0.00 C ATOM 164 C GLU A 12 9.232 7.060 -3.782 1.00 0.00 C ATOM 165 O GLU A 12 8.879 7.110 -4.943 1.00 0.00 O ATOM 166 CB GLU A 12 7.948 7.999 -1.847 1.00 0.00 C ATOM 167 CG GLU A 12 9.174 8.339 -0.996 1.00 0.00 C ATOM 168 CD GLU A 12 8.802 9.391 0.054 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.629 9.716 0.155 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.699 9.855 0.739 1.00 0.00 O ATOM 0 H GLU A 12 8.466 5.765 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 12 7.307 6.386 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.712 8.831 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.080 7.845 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.549 7.440 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.976 8.714 -1.631 1.00 0.00 H new ATOM 177 N ASN A 13 10.477 7.269 -3.453 1.00 0.00 N ATOM 178 CA ASN A 13 11.478 7.572 -4.516 1.00 0.00 C ATOM 179 C ASN A 13 11.647 6.331 -5.396 1.00 0.00 C ATOM 180 O ASN A 13 11.677 6.408 -6.609 1.00 0.00 O ATOM 181 CB ASN A 13 12.817 7.937 -3.872 1.00 0.00 C ATOM 182 CG ASN A 13 12.760 9.378 -3.356 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.485 10.293 -4.105 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.010 9.619 -2.098 1.00 0.00 N ATOM 0 H ASN A 13 10.843 7.244 -2.501 1.00 0.00 H new ATOM 0 HA ASN A 13 11.137 8.412 -5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.036 7.254 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.623 7.831 -4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.974 10.575 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.241 8.851 -1.468 1.00 0.00 H new ATOM 191 N THR A 14 11.750 5.187 -4.782 1.00 0.00 N ATOM 192 CA THR A 14 11.908 3.917 -5.549 1.00 0.00 C ATOM 193 C THR A 14 10.590 3.565 -6.258 1.00 0.00 C ATOM 194 O THR A 14 10.533 2.645 -7.051 1.00 0.00 O ATOM 195 CB THR A 14 12.279 2.798 -4.556 1.00 0.00 C ATOM 196 OG1 THR A 14 13.647 2.925 -4.198 1.00 0.00 O ATOM 197 CG2 THR A 14 12.045 1.416 -5.177 1.00 0.00 C ATOM 0 H THR A 14 11.731 5.074 -3.768 1.00 0.00 H new ATOM 0 HA THR A 14 12.688 4.029 -6.302 1.00 0.00 H new ATOM 0 HB THR A 14 11.647 2.893 -3.673 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.716 3.334 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.314 0.643 -4.457 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.994 1.311 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.660 1.310 -6.070 1.00 0.00 H new ATOM 205 N LEU A 15 9.536 4.270 -5.975 1.00 0.00 N ATOM 206 CA LEU A 15 8.238 3.954 -6.621 1.00 0.00 C ATOM 207 C LEU A 15 8.023 4.889 -7.811 1.00 0.00 C ATOM 208 O LEU A 15 7.294 4.581 -8.733 1.00 0.00 O ATOM 209 CB LEU A 15 7.119 4.133 -5.594 1.00 0.00 C ATOM 210 CG LEU A 15 7.300 3.139 -4.450 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.456 3.586 -3.261 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.844 1.749 -4.886 1.00 0.00 C ATOM 0 H LEU A 15 9.517 5.054 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 15 8.235 2.925 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.128 5.152 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.150 3.981 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 15 8.353 3.102 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.581 2.880 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.777 4.577 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.406 3.621 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.977 1.047 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.791 1.783 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.437 1.423 -5.740 1.00 0.00 H new ATOM 224 N ALA A 16 8.652 6.032 -7.795 1.00 0.00 N ATOM 225 CA ALA A 16 8.487 6.993 -8.920 1.00 0.00 C ATOM 226 C ALA A 16 9.429 6.610 -10.064 1.00 0.00 C ATOM 227 O ALA A 16 9.176 6.907 -11.214 1.00 0.00 O ATOM 228 CB ALA A 16 8.825 8.404 -8.433 1.00 0.00 C ATOM 0 H ALA A 16 9.275 6.342 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 16 7.457 6.964 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.705 9.111 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.155 8.678 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.856 8.430 -8.079 1.00 0.00 H new ATOM 234 N LYS A 17 10.518 5.957 -9.757 1.00 0.00 N ATOM 235 CA LYS A 17 11.475 5.565 -10.831 1.00 0.00 C ATOM 236 C LYS A 17 11.636 4.040 -10.861 1.00 0.00 C ATOM 237 O LYS A 17 12.106 3.479 -11.830 1.00 0.00 O ATOM 238 CB LYS A 17 12.833 6.213 -10.558 1.00 0.00 C ATOM 239 CG LYS A 17 13.449 6.691 -11.874 1.00 0.00 C ATOM 240 CD LYS A 17 13.878 8.152 -11.734 1.00 0.00 C ATOM 241 CE LYS A 17 13.493 8.922 -12.998 1.00 0.00 C ATOM 242 NZ LYS A 17 13.564 10.385 -12.726 1.00 0.00 N ATOM 0 H LYS A 17 10.785 5.679 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 17 11.091 5.902 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.715 7.053 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.497 5.498 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.308 6.072 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.727 6.589 -12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.400 8.600 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.954 8.212 -11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.164 8.660 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.486 8.648 -13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.303 10.911 -13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.906 10.628 -11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.533 10.639 -12.446 1.00 0.00 H new ATOM 256 N MET A 18 11.257 3.364 -9.808 1.00 0.00 N ATOM 257 CA MET A 18 11.398 1.880 -9.783 1.00 0.00 C ATOM 258 C MET A 18 12.884 1.512 -9.768 1.00 0.00 C ATOM 259 O MET A 18 13.707 2.182 -10.361 1.00 0.00 O ATOM 260 CB MET A 18 10.730 1.274 -11.021 1.00 0.00 C ATOM 261 CG MET A 18 9.858 0.092 -10.596 1.00 0.00 C ATOM 262 SD MET A 18 8.122 0.607 -10.549 1.00 0.00 S ATOM 263 CE MET A 18 8.057 1.023 -8.790 1.00 0.00 C ATOM 0 H MET A 18 10.856 3.776 -8.965 1.00 0.00 H new ATOM 0 HA MET A 18 10.915 1.486 -8.889 1.00 0.00 H new ATOM 0 HB2 MET A 18 10.123 2.026 -11.526 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.487 0.945 -11.733 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.984 -0.736 -11.294 1.00 0.00 H new ATOM 0 HG3 MET A 18 10.168 -0.268 -9.615 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.021 1.182 -8.492 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.481 0.205 -8.207 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.630 1.932 -8.610 1.00 0.00 H new ATOM 273 N ASP A 19 13.234 0.452 -9.090 1.00 0.00 N ATOM 274 CA ASP A 19 14.663 0.037 -9.029 1.00 0.00 C ATOM 275 C ASP A 19 14.802 -1.111 -8.029 1.00 0.00 C ATOM 276 O ASP A 19 13.998 -1.262 -7.131 1.00 0.00 O ATOM 277 CB ASP A 19 15.529 1.217 -8.580 1.00 0.00 C ATOM 278 CG ASP A 19 16.541 1.552 -9.677 1.00 0.00 C ATOM 279 OD1 ASP A 19 17.312 0.676 -10.032 1.00 0.00 O ATOM 280 OD2 ASP A 19 16.530 2.681 -10.143 1.00 0.00 O ATOM 0 H ASP A 19 12.588 -0.146 -8.574 1.00 0.00 H new ATOM 0 HA ASP A 19 14.993 -0.288 -10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.902 2.084 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 19 16.048 0.969 -7.654 1.00 0.00 H new ATOM 285 N ASP A 20 15.806 -1.929 -8.181 1.00 0.00 N ATOM 286 CA ASP A 20 15.979 -3.072 -7.241 1.00 0.00 C ATOM 287 C ASP A 20 14.707 -3.920 -7.265 1.00 0.00 C ATOM 288 O ASP A 20 13.864 -3.816 -6.398 1.00 0.00 O ATOM 289 CB ASP A 20 16.216 -2.541 -5.825 1.00 0.00 C ATOM 290 CG ASP A 20 17.720 -2.448 -5.556 1.00 0.00 C ATOM 291 OD1 ASP A 20 18.400 -3.441 -5.751 1.00 0.00 O ATOM 292 OD2 ASP A 20 18.165 -1.384 -5.157 1.00 0.00 O ATOM 0 H ASP A 20 16.512 -1.856 -8.913 1.00 0.00 H new ATOM 0 HA ASP A 20 16.835 -3.676 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.755 -1.560 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.746 -3.200 -5.095 1.00 0.00 H new ATOM 297 N GLY A 21 14.552 -4.742 -8.265 1.00 0.00 N ATOM 298 CA GLY A 21 13.321 -5.573 -8.355 1.00 0.00 C ATOM 299 C GLY A 21 12.123 -4.655 -8.618 1.00 0.00 C ATOM 300 O GLY A 21 10.989 -5.005 -8.358 1.00 0.00 O ATOM 0 H GLY A 21 15.223 -4.874 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.418 -6.306 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.173 -6.130 -7.430 1.00 0.00 H new ATOM 304 N GLN A 22 12.372 -3.477 -9.135 1.00 0.00 N ATOM 305 CA GLN A 22 11.263 -2.526 -9.420 1.00 0.00 C ATOM 306 C GLN A 22 10.392 -2.351 -8.174 1.00 0.00 C ATOM 307 O GLN A 22 9.202 -2.123 -8.268 1.00 0.00 O ATOM 308 CB GLN A 22 10.415 -3.069 -10.568 1.00 0.00 C ATOM 309 CG GLN A 22 11.183 -2.913 -11.882 1.00 0.00 C ATOM 310 CD GLN A 22 10.195 -2.814 -13.044 1.00 0.00 C ATOM 311 OE1 GLN A 22 9.617 -3.801 -13.453 1.00 0.00 O ATOM 312 NE2 GLN A 22 9.977 -1.654 -13.601 1.00 0.00 N ATOM 0 H GLN A 22 13.303 -3.135 -9.372 1.00 0.00 H new ATOM 0 HA GLN A 22 11.680 -1.558 -9.699 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.177 -4.119 -10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.468 -2.532 -10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.808 -2.021 -11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.849 -3.763 -12.029 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.462 -0.825 -13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.322 -1.577 -14.379 1.00 0.00 H new ATOM 321 N LEU A 23 10.972 -2.448 -7.008 1.00 0.00 N ATOM 322 CA LEU A 23 10.164 -2.276 -5.767 1.00 0.00 C ATOM 323 C LEU A 23 9.075 -3.354 -5.734 1.00 0.00 C ATOM 324 O LEU A 23 7.900 -3.071 -5.860 1.00 0.00 O ATOM 325 CB LEU A 23 9.530 -0.872 -5.783 1.00 0.00 C ATOM 326 CG LEU A 23 9.222 -0.366 -4.361 1.00 0.00 C ATOM 327 CD1 LEU A 23 8.006 -1.101 -3.803 1.00 0.00 C ATOM 328 CD2 LEU A 23 10.423 -0.588 -3.434 1.00 0.00 C ATOM 0 H LEU A 23 11.963 -2.638 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 23 10.790 -2.376 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.205 -0.174 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.610 -0.895 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 23 9.013 0.703 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.792 -0.740 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.144 -0.918 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.212 -2.171 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.184 -0.224 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.654 -1.652 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.286 -0.046 -3.821 1.00 0.00 H new ATOM 340 N ASP A 24 9.468 -4.592 -5.577 1.00 0.00 N ATOM 341 CA ASP A 24 8.468 -5.707 -5.551 1.00 0.00 C ATOM 342 C ASP A 24 8.947 -6.861 -4.650 1.00 0.00 C ATOM 343 O ASP A 24 8.151 -7.640 -4.166 1.00 0.00 O ATOM 344 CB ASP A 24 8.282 -6.240 -6.975 1.00 0.00 C ATOM 345 CG ASP A 24 7.014 -5.646 -7.591 1.00 0.00 C ATOM 346 OD1 ASP A 24 6.883 -4.434 -7.577 1.00 0.00 O ATOM 347 OD2 ASP A 24 6.196 -6.414 -8.070 1.00 0.00 O ATOM 0 H ASP A 24 10.440 -4.881 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 24 7.529 -5.321 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.148 -5.983 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.214 -7.328 -6.960 1.00 0.00 H new ATOM 352 N GLY A 25 10.231 -7.006 -4.440 1.00 0.00 N ATOM 353 CA GLY A 25 10.723 -8.135 -3.597 1.00 0.00 C ATOM 354 C GLY A 25 10.956 -7.682 -2.153 1.00 0.00 C ATOM 355 O GLY A 25 11.727 -8.285 -1.431 1.00 0.00 O ATOM 0 H GLY A 25 10.956 -6.394 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.998 -8.949 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.651 -8.526 -4.013 1.00 0.00 H new ATOM 359 N LEU A 26 10.297 -6.645 -1.709 1.00 0.00 N ATOM 360 CA LEU A 26 10.494 -6.201 -0.308 1.00 0.00 C ATOM 361 C LEU A 26 9.687 -7.118 0.604 1.00 0.00 C ATOM 362 O LEU A 26 9.111 -8.098 0.177 1.00 0.00 O ATOM 363 CB LEU A 26 9.995 -4.759 -0.117 1.00 0.00 C ATOM 364 CG LEU A 26 10.292 -3.905 -1.357 1.00 0.00 C ATOM 365 CD1 LEU A 26 8.975 -3.469 -2.002 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.076 -2.658 -0.937 1.00 0.00 C ATOM 0 H LEU A 26 9.636 -6.092 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 26 11.557 -6.241 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.922 -4.764 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.475 -4.317 0.756 1.00 0.00 H new ATOM 0 HG LEU A 26 10.876 -4.489 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.185 -2.862 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.404 -4.350 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.396 -2.884 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.289 -2.049 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.485 -2.078 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.013 -2.958 -0.468 1.00 0.00 H new ATOM 378 N ALA A 27 9.622 -6.779 1.848 1.00 0.00 N ATOM 379 CA ALA A 27 8.827 -7.592 2.814 1.00 0.00 C ATOM 380 C ALA A 27 7.498 -6.870 3.064 1.00 0.00 C ATOM 381 O ALA A 27 6.829 -7.079 4.065 1.00 0.00 O ATOM 382 CB ALA A 27 9.596 -7.730 4.129 1.00 0.00 C ATOM 0 H ALA A 27 10.088 -5.966 2.251 1.00 0.00 H new ATOM 0 HA ALA A 27 8.646 -8.588 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.012 -8.324 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.550 -8.223 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.775 -6.741 4.551 1.00 0.00 H new ATOM 388 N PHE A 28 7.125 -6.003 2.159 1.00 0.00 N ATOM 389 CA PHE A 28 5.867 -5.241 2.319 1.00 0.00 C ATOM 390 C PHE A 28 5.422 -4.722 0.957 1.00 0.00 C ATOM 391 O PHE A 28 6.218 -4.252 0.167 1.00 0.00 O ATOM 392 CB PHE A 28 6.080 -4.077 3.295 1.00 0.00 C ATOM 393 CG PHE A 28 7.295 -3.245 2.935 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.585 -3.799 2.928 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.122 -1.899 2.622 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.687 -3.004 2.601 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.220 -1.102 2.296 1.00 0.00 C ATOM 398 CZ PHE A 28 9.506 -1.656 2.283 1.00 0.00 C ATOM 0 H PHE A 28 7.649 -5.793 1.309 1.00 0.00 H new ATOM 0 HA PHE A 28 5.092 -5.891 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.194 -3.441 3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.196 -4.469 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.726 -4.841 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.131 -1.469 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.679 -3.432 2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.078 -0.059 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.357 -1.042 2.027 1.00 0.00 H new ATOM 408 N GLY A 29 4.157 -4.820 0.672 1.00 0.00 N ATOM 409 CA GLY A 29 3.650 -4.352 -0.647 1.00 0.00 C ATOM 410 C GLY A 29 3.677 -2.829 -0.705 1.00 0.00 C ATOM 411 O GLY A 29 3.336 -2.169 0.244 1.00 0.00 O ATOM 0 H GLY A 29 3.449 -5.205 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.262 -4.766 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.633 -4.712 -0.804 1.00 0.00 H new ATOM 415 N ALA A 30 4.055 -2.264 -1.817 1.00 0.00 N ATOM 416 CA ALA A 30 4.061 -0.777 -1.917 1.00 0.00 C ATOM 417 C ALA A 30 3.058 -0.383 -2.993 1.00 0.00 C ATOM 418 O ALA A 30 3.381 -0.306 -4.163 1.00 0.00 O ATOM 419 CB ALA A 30 5.458 -0.264 -2.278 1.00 0.00 C ATOM 0 H ALA A 30 4.358 -2.761 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 30 3.788 -0.335 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.440 0.824 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.167 -0.568 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.763 -0.682 -3.237 1.00 0.00 H new ATOM 425 N ILE A 31 1.829 -0.177 -2.612 1.00 0.00 N ATOM 426 CA ILE A 31 0.791 0.163 -3.619 1.00 0.00 C ATOM 427 C ILE A 31 0.667 1.679 -3.775 1.00 0.00 C ATOM 428 O ILE A 31 0.862 2.433 -2.847 1.00 0.00 O ATOM 429 CB ILE A 31 -0.559 -0.449 -3.191 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.186 0.339 -2.038 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.329 -1.883 -2.721 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.988 1.519 -2.593 1.00 0.00 C ATOM 0 H ILE A 31 1.500 -0.230 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 31 1.082 -0.251 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.232 -0.418 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.836 -0.311 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.407 0.700 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.279 -2.323 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.098 -2.469 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.358 -1.883 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.432 2.077 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.326 2.174 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.777 1.147 -3.247 1.00 0.00 H new ATOM 444 N GLN A 32 0.322 2.118 -4.949 1.00 0.00 N ATOM 445 CA GLN A 32 0.151 3.572 -5.193 1.00 0.00 C ATOM 446 C GLN A 32 -1.311 3.807 -5.561 1.00 0.00 C ATOM 447 O GLN A 32 -2.053 2.867 -5.773 1.00 0.00 O ATOM 448 CB GLN A 32 1.056 4.016 -6.345 1.00 0.00 C ATOM 449 CG GLN A 32 2.451 3.414 -6.166 1.00 0.00 C ATOM 450 CD GLN A 32 3.117 4.024 -4.930 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.516 3.314 -4.029 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.253 5.319 -4.850 1.00 0.00 N ATOM 0 H GLN A 32 0.149 1.524 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 32 0.420 4.145 -4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.631 3.698 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.119 5.104 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.380 2.332 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.058 3.606 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.918 5.915 -5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.695 5.736 -4.030 1.00 0.00 H new ATOM 461 N LEU A 33 -1.746 5.033 -5.638 1.00 0.00 N ATOM 462 CA LEU A 33 -3.173 5.271 -5.985 1.00 0.00 C ATOM 463 C LEU A 33 -3.329 6.626 -6.677 1.00 0.00 C ATOM 464 O LEU A 33 -2.649 7.580 -6.357 1.00 0.00 O ATOM 465 CB LEU A 33 -4.013 5.280 -4.705 1.00 0.00 C ATOM 466 CG LEU A 33 -4.122 3.860 -4.146 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.877 3.891 -2.817 1.00 0.00 C ATOM 468 CD2 LEU A 33 -4.880 2.981 -5.142 1.00 0.00 C ATOM 0 H LEU A 33 -1.184 5.869 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.507 4.478 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.557 5.938 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.007 5.675 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.123 3.454 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.955 2.879 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.339 4.520 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.876 4.296 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.959 1.968 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.879 3.388 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.343 2.959 -6.090 1.00 0.00 H new ATOM 480 N ASP A 34 -4.238 6.724 -7.608 1.00 0.00 N ATOM 481 CA ASP A 34 -4.460 8.024 -8.300 1.00 0.00 C ATOM 482 C ASP A 34 -5.869 8.529 -7.985 1.00 0.00 C ATOM 483 O ASP A 34 -6.820 7.772 -8.034 1.00 0.00 O ATOM 484 CB ASP A 34 -4.320 7.854 -9.813 1.00 0.00 C ATOM 485 CG ASP A 34 -2.887 8.179 -10.244 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.043 8.325 -9.375 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.659 8.277 -11.439 1.00 0.00 O ATOM 0 H ASP A 34 -4.837 5.959 -7.919 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.715 8.739 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.572 6.832 -10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.022 8.510 -10.328 1.00 0.00 H new ATOM 492 N GLY A 35 -5.962 9.807 -7.662 1.00 0.00 N ATOM 493 CA GLY A 35 -7.249 10.516 -7.309 1.00 0.00 C ATOM 494 C GLY A 35 -8.497 9.694 -7.623 1.00 0.00 C ATOM 495 O GLY A 35 -9.233 9.984 -8.545 1.00 0.00 O ATOM 0 H GLY A 35 -5.148 10.421 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.241 10.761 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.297 11.459 -7.853 1.00 0.00 H new ATOM 499 N ASP A 36 -8.730 8.680 -6.845 1.00 0.00 N ATOM 500 CA ASP A 36 -9.927 7.802 -7.043 1.00 0.00 C ATOM 501 C ASP A 36 -9.696 6.483 -6.308 1.00 0.00 C ATOM 502 O ASP A 36 -10.624 5.776 -5.970 1.00 0.00 O ATOM 503 CB ASP A 36 -10.140 7.507 -8.533 1.00 0.00 C ATOM 504 CG ASP A 36 -11.392 8.236 -9.024 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.303 8.408 -8.232 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.419 8.610 -10.185 1.00 0.00 O ATOM 0 H ASP A 36 -8.133 8.412 -6.062 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.808 8.312 -6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.271 7.829 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.246 6.434 -8.691 1.00 0.00 H new ATOM 511 N GLY A 37 -8.459 6.138 -6.076 1.00 0.00 N ATOM 512 CA GLY A 37 -8.156 4.864 -5.388 1.00 0.00 C ATOM 513 C GLY A 37 -7.751 3.830 -6.436 1.00 0.00 C ATOM 514 O GLY A 37 -7.756 2.642 -6.180 1.00 0.00 O ATOM 0 H GLY A 37 -7.644 6.692 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.352 5.006 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.027 4.518 -4.832 1.00 0.00 H new ATOM 518 N ASN A 38 -7.388 4.268 -7.619 1.00 0.00 N ATOM 519 CA ASN A 38 -6.976 3.282 -8.666 1.00 0.00 C ATOM 520 C ASN A 38 -5.497 2.959 -8.481 1.00 0.00 C ATOM 521 O ASN A 38 -4.681 3.839 -8.319 1.00 0.00 O ATOM 522 CB ASN A 38 -7.202 3.865 -10.060 1.00 0.00 C ATOM 523 CG ASN A 38 -8.703 3.966 -10.340 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.266 5.042 -10.318 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.380 2.881 -10.601 1.00 0.00 N ATOM 0 H ASN A 38 -7.359 5.248 -7.901 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.573 2.376 -8.566 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.742 4.851 -10.131 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.724 3.235 -10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.381 2.937 -10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.908 1.977 -10.620 1.00 0.00 H new ATOM 532 N ILE A 39 -5.142 1.706 -8.479 1.00 0.00 N ATOM 533 CA ILE A 39 -3.709 1.350 -8.264 1.00 0.00 C ATOM 534 C ILE A 39 -2.831 1.837 -9.424 1.00 0.00 C ATOM 535 O ILE A 39 -3.159 1.688 -10.585 1.00 0.00 O ATOM 536 CB ILE A 39 -3.562 -0.190 -8.084 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.648 -0.469 -6.884 1.00 0.00 C ATOM 538 CG2 ILE A 39 -2.955 -0.866 -9.322 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.478 -0.505 -5.604 1.00 0.00 C ATOM 0 H ILE A 39 -5.774 0.917 -8.615 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.370 1.850 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.561 -0.598 -7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.131 -1.419 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.882 0.303 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.873 -1.939 -9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.596 -0.687 -10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.965 -0.453 -9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.826 -0.703 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.974 0.456 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.227 -1.293 -5.678 1.00 0.00 H new ATOM 551 N LEU A 40 -1.687 2.350 -9.095 1.00 0.00 N ATOM 552 CA LEU A 40 -0.719 2.782 -10.138 1.00 0.00 C ATOM 553 C LEU A 40 0.371 1.703 -10.190 1.00 0.00 C ATOM 554 O LEU A 40 0.972 1.444 -11.213 1.00 0.00 O ATOM 555 CB LEU A 40 -0.090 4.134 -9.767 1.00 0.00 C ATOM 556 CG LEU A 40 -1.096 4.995 -8.993 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.441 6.321 -8.613 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.315 5.260 -9.874 1.00 0.00 C ATOM 0 H LEU A 40 -1.374 2.492 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.215 2.902 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.803 3.974 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.226 4.656 -10.670 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.407 4.473 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.154 6.935 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.431 6.130 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.132 6.846 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.033 5.872 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.004 5.785 -10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.780 4.312 -10.147 1.00 0.00 H new ATOM 570 N GLN A 41 0.600 1.065 -9.067 1.00 0.00 N ATOM 571 CA GLN A 41 1.616 -0.023 -8.970 1.00 0.00 C ATOM 572 C GLN A 41 1.293 -0.822 -7.693 1.00 0.00 C ATOM 573 O GLN A 41 0.863 -0.256 -6.713 1.00 0.00 O ATOM 574 CB GLN A 41 3.014 0.604 -8.884 1.00 0.00 C ATOM 575 CG GLN A 41 4.092 -0.466 -9.090 1.00 0.00 C ATOM 576 CD GLN A 41 4.110 -1.424 -7.897 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.278 -2.616 -8.064 1.00 0.00 O ATOM 578 NE2 GLN A 41 3.941 -0.954 -6.691 1.00 0.00 N ATOM 0 H GLN A 41 0.111 1.261 -8.194 1.00 0.00 H new ATOM 0 HA GLN A 41 1.594 -0.680 -9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.117 1.384 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.147 1.081 -7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.897 -1.019 -10.009 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.068 0.006 -9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.800 0.046 -6.549 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.950 -1.587 -5.891 1.00 0.00 H new ATOM 587 N TYR A 42 1.454 -2.124 -7.689 1.00 0.00 N ATOM 588 CA TYR A 42 1.100 -2.901 -6.454 1.00 0.00 C ATOM 589 C TYR A 42 2.358 -3.437 -5.744 1.00 0.00 C ATOM 590 O TYR A 42 2.758 -2.902 -4.724 1.00 0.00 O ATOM 591 CB TYR A 42 0.169 -4.067 -6.834 1.00 0.00 C ATOM 592 CG TYR A 42 -0.542 -4.599 -5.603 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.377 -3.755 -4.861 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.378 -5.937 -5.212 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.049 -4.247 -3.732 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.049 -6.425 -4.082 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.884 -5.583 -3.347 1.00 0.00 C ATOM 598 OH TYR A 42 -2.549 -6.068 -2.240 1.00 0.00 O ATOM 0 H TYR A 42 1.808 -2.676 -8.470 1.00 0.00 H new ATOM 0 HA TYR A 42 0.590 -2.232 -5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.563 -3.732 -7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.747 -4.865 -7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.504 -2.724 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.265 -6.591 -5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.693 -3.596 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.919 -7.454 -3.780 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.902 -6.273 -1.534 1.00 0.00 H new ATOM 608 N ASN A 43 2.948 -4.503 -6.267 1.00 0.00 N ATOM 609 CA ASN A 43 4.172 -5.164 -5.664 1.00 0.00 C ATOM 610 C ASN A 43 3.879 -6.663 -5.577 1.00 0.00 C ATOM 611 O ASN A 43 2.770 -7.081 -5.308 1.00 0.00 O ATOM 612 CB ASN A 43 4.508 -4.612 -4.265 1.00 0.00 C ATOM 613 CG ASN A 43 5.673 -5.357 -3.607 1.00 0.00 C ATOM 614 OD1 ASN A 43 6.074 -6.403 -4.038 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.241 -4.839 -2.555 1.00 0.00 N ATOM 0 H ASN A 43 2.618 -4.958 -7.118 1.00 0.00 H new ATOM 0 HA ASN A 43 5.038 -4.958 -6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.756 -3.554 -4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.627 -4.685 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.019 -5.322 -2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.908 -3.951 -2.181 1.00 0.00 H new ATOM 622 N ALA A 44 4.862 -7.464 -5.827 1.00 0.00 N ATOM 623 CA ALA A 44 4.675 -8.946 -5.797 1.00 0.00 C ATOM 624 C ALA A 44 4.535 -9.457 -4.356 1.00 0.00 C ATOM 625 O ALA A 44 3.644 -10.225 -4.053 1.00 0.00 O ATOM 626 CB ALA A 44 5.886 -9.610 -6.453 1.00 0.00 C ATOM 0 H ALA A 44 5.808 -7.158 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 44 3.762 -9.195 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.761 -10.693 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.973 -9.270 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.789 -9.341 -5.905 1.00 0.00 H new ATOM 632 N ALA A 45 5.420 -9.061 -3.478 1.00 0.00 N ATOM 633 CA ALA A 45 5.364 -9.538 -2.057 1.00 0.00 C ATOM 634 C ALA A 45 3.926 -9.535 -1.515 1.00 0.00 C ATOM 635 O ALA A 45 3.439 -10.536 -1.031 1.00 0.00 O ATOM 636 CB ALA A 45 6.226 -8.621 -1.191 1.00 0.00 C ATOM 0 H ALA A 45 6.188 -8.422 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 45 5.736 -10.562 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.191 -8.960 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.256 -8.647 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.847 -7.601 -1.252 1.00 0.00 H new ATOM 642 N GLU A 46 3.256 -8.421 -1.573 1.00 0.00 N ATOM 643 CA GLU A 46 1.858 -8.367 -1.044 1.00 0.00 C ATOM 644 C GLU A 46 0.956 -9.286 -1.849 1.00 0.00 C ATOM 645 O GLU A 46 0.158 -10.025 -1.313 1.00 0.00 O ATOM 646 CB GLU A 46 1.315 -6.944 -1.141 1.00 0.00 C ATOM 647 CG GLU A 46 1.610 -6.332 -2.508 1.00 0.00 C ATOM 648 CD GLU A 46 1.009 -4.932 -2.559 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.153 -4.296 -3.578 1.00 0.00 O ATOM 650 OE2 GLU A 46 0.340 -4.479 -1.442 1.00 0.00 O ATOM 0 H GLU A 46 3.610 -7.546 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 46 1.875 -8.687 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.239 -6.950 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.761 -6.328 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.686 -6.287 -2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.188 -6.953 -3.298 1.00 0.00 H new ATOM 658 N GLY A 47 1.084 -9.242 -3.133 1.00 0.00 N ATOM 659 CA GLY A 47 0.240 -10.113 -4.001 1.00 0.00 C ATOM 660 C GLY A 47 0.560 -11.587 -3.711 1.00 0.00 C ATOM 661 O GLY A 47 -0.156 -12.475 -4.126 1.00 0.00 O ATOM 0 H GLY A 47 1.739 -8.639 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.816 -9.916 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.427 -9.889 -5.051 1.00 0.00 H new ATOM 665 N ASP A 48 1.634 -11.859 -3.011 1.00 0.00 N ATOM 666 CA ASP A 48 1.987 -13.274 -2.704 1.00 0.00 C ATOM 667 C ASP A 48 1.294 -13.709 -1.405 1.00 0.00 C ATOM 668 O ASP A 48 0.872 -14.840 -1.270 1.00 0.00 O ATOM 669 CB ASP A 48 3.503 -13.396 -2.537 1.00 0.00 C ATOM 670 CG ASP A 48 3.954 -14.793 -2.967 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.503 -15.246 -4.006 1.00 0.00 O ATOM 672 OD2 ASP A 48 4.745 -15.385 -2.251 1.00 0.00 O ATOM 0 H ASP A 48 2.279 -11.161 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 48 1.657 -13.914 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.008 -12.639 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.781 -13.217 -1.498 1.00 0.00 H new ATOM 677 N ILE A 49 1.181 -12.827 -0.444 1.00 0.00 N ATOM 678 CA ILE A 49 0.534 -13.186 0.832 1.00 0.00 C ATOM 679 C ILE A 49 -0.989 -13.195 0.670 1.00 0.00 C ATOM 680 O ILE A 49 -1.693 -13.910 1.356 1.00 0.00 O ATOM 681 CB ILE A 49 0.919 -12.147 1.864 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.436 -12.114 2.047 1.00 0.00 C ATOM 683 CG2 ILE A 49 0.262 -12.484 3.182 1.00 0.00 C ATOM 684 CD1 ILE A 49 2.940 -13.502 2.449 1.00 0.00 C ATOM 0 H ILE A 49 1.517 -11.865 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 49 0.858 -14.179 1.143 1.00 0.00 H new ATOM 0 HB ILE A 49 0.584 -11.168 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.916 -11.797 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.704 -11.384 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.537 -11.738 3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.821 -12.490 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.595 -13.468 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.022 -13.473 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.471 -13.802 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.687 -14.221 1.670 1.00 0.00 H new ATOM 696 N THR A 50 -1.502 -12.392 -0.217 1.00 0.00 N ATOM 697 CA THR A 50 -2.980 -12.333 -0.406 1.00 0.00 C ATOM 698 C THR A 50 -3.339 -12.859 -1.800 1.00 0.00 C ATOM 699 O THR A 50 -4.444 -13.302 -2.044 1.00 0.00 O ATOM 700 CB THR A 50 -3.461 -10.875 -0.284 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.347 -10.243 -1.545 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.612 -10.100 0.726 1.00 0.00 C ATOM 0 H THR A 50 -0.963 -11.772 -0.821 1.00 0.00 H new ATOM 0 HA THR A 50 -3.462 -12.944 0.357 1.00 0.00 H new ATOM 0 HB THR A 50 -4.497 -10.882 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.628 -9.578 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.973 -9.074 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.686 -10.575 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.571 -10.098 0.401 1.00 0.00 H new ATOM 710 N GLY A 51 -2.418 -12.791 -2.721 1.00 0.00 N ATOM 711 CA GLY A 51 -2.710 -13.260 -4.101 1.00 0.00 C ATOM 712 C GLY A 51 -3.012 -12.056 -5.009 1.00 0.00 C ATOM 713 O GLY A 51 -3.250 -12.205 -6.191 1.00 0.00 O ATOM 0 H GLY A 51 -1.475 -12.430 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.859 -13.818 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.561 -13.941 -4.091 1.00 0.00 H new ATOM 717 N ARG A 52 -3.012 -10.865 -4.463 1.00 0.00 N ATOM 718 CA ARG A 52 -3.302 -9.652 -5.280 1.00 0.00 C ATOM 719 C ARG A 52 -2.122 -9.360 -6.207 1.00 0.00 C ATOM 720 O ARG A 52 -1.244 -8.582 -5.890 1.00 0.00 O ATOM 721 CB ARG A 52 -3.535 -8.458 -4.342 1.00 0.00 C ATOM 722 CG ARG A 52 -4.893 -8.628 -3.649 1.00 0.00 C ATOM 723 CD ARG A 52 -4.831 -8.126 -2.207 1.00 0.00 C ATOM 724 NE ARG A 52 -5.891 -7.111 -1.951 1.00 0.00 N ATOM 725 CZ ARG A 52 -7.101 -7.523 -1.675 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.719 -8.343 -2.482 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.691 -7.118 -0.595 1.00 0.00 N ATOM 0 H ARG A 52 -2.822 -10.683 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.193 -9.821 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.738 -8.400 -3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.514 -7.526 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.658 -8.079 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.184 -9.678 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.951 -8.964 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.851 -7.691 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.677 -6.114 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.258 -8.665 -3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.663 -8.661 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.212 -6.479 0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.635 -7.439 -0.379 1.00 0.00 H new ATOM 741 N ASP A 53 -2.099 -9.978 -7.355 1.00 0.00 N ATOM 742 CA ASP A 53 -0.983 -9.743 -8.313 1.00 0.00 C ATOM 743 C ASP A 53 -0.956 -8.258 -8.700 1.00 0.00 C ATOM 744 O ASP A 53 -1.915 -7.553 -8.466 1.00 0.00 O ATOM 745 CB ASP A 53 -1.207 -10.594 -9.566 1.00 0.00 C ATOM 746 CG ASP A 53 -0.612 -11.992 -9.359 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.055 -12.230 -8.298 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.725 -12.801 -10.263 1.00 0.00 O ATOM 0 H ASP A 53 -2.808 -10.639 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.034 -10.017 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.273 -10.671 -9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.744 -10.116 -10.429 1.00 0.00 H new ATOM 753 N PRO A 54 0.141 -7.817 -9.280 1.00 0.00 N ATOM 754 CA PRO A 54 0.295 -6.413 -9.700 1.00 0.00 C ATOM 755 C PRO A 54 -0.468 -6.145 -11.003 1.00 0.00 C ATOM 756 O PRO A 54 -1.220 -5.198 -11.107 1.00 0.00 O ATOM 757 CB PRO A 54 1.804 -6.263 -9.915 1.00 0.00 C ATOM 758 CG PRO A 54 2.354 -7.688 -10.160 1.00 0.00 C ATOM 759 CD PRO A 54 1.323 -8.665 -9.569 1.00 0.00 C ATOM 0 HA PRO A 54 -0.102 -5.708 -8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.012 -5.615 -10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.277 -5.808 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.495 -7.871 -11.225 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.326 -7.815 -9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.080 -9.461 -10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.700 -9.143 -8.665 1.00 0.00 H new ATOM 767 N LYS A 55 -0.273 -6.966 -11.998 1.00 0.00 N ATOM 768 CA LYS A 55 -0.979 -6.750 -13.291 1.00 0.00 C ATOM 769 C LYS A 55 -2.479 -6.991 -13.112 1.00 0.00 C ATOM 770 O LYS A 55 -3.294 -6.410 -13.800 1.00 0.00 O ATOM 771 CB LYS A 55 -0.432 -7.719 -14.344 1.00 0.00 C ATOM 772 CG LYS A 55 -0.220 -6.974 -15.665 1.00 0.00 C ATOM 773 CD LYS A 55 -1.146 -7.553 -16.735 1.00 0.00 C ATOM 774 CE LYS A 55 -0.891 -6.845 -18.068 1.00 0.00 C ATOM 775 NZ LYS A 55 -1.313 -7.731 -19.190 1.00 0.00 N ATOM 0 H LYS A 55 0.345 -7.777 -11.971 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.815 -5.723 -13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.509 -8.150 -14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.127 -8.546 -14.488 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.422 -5.911 -15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.819 -7.063 -15.982 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.972 -8.624 -16.841 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.187 -7.427 -16.437 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.443 -5.906 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.166 -6.597 -18.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.140 -7.250 -20.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.767 -8.616 -19.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.327 -7.946 -19.100 1.00 0.00 H new ATOM 789 N GLN A 56 -2.853 -7.846 -12.200 1.00 0.00 N ATOM 790 CA GLN A 56 -4.303 -8.123 -11.993 1.00 0.00 C ATOM 791 C GLN A 56 -4.936 -6.997 -11.174 1.00 0.00 C ATOM 792 O GLN A 56 -6.019 -6.534 -11.473 1.00 0.00 O ATOM 793 CB GLN A 56 -4.469 -9.449 -11.249 1.00 0.00 C ATOM 794 CG GLN A 56 -5.926 -9.905 -11.341 1.00 0.00 C ATOM 795 CD GLN A 56 -6.094 -11.229 -10.597 1.00 0.00 C ATOM 796 OE1 GLN A 56 -5.467 -11.452 -9.580 1.00 0.00 O ATOM 797 NE2 GLN A 56 -6.922 -12.124 -11.063 1.00 0.00 N ATOM 0 H GLN A 56 -2.219 -8.364 -11.591 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.797 -8.183 -12.963 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.812 -10.205 -11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.179 -9.332 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.583 -9.148 -10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.216 -10.023 -12.385 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.448 -11.937 -11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.043 -13.011 -10.574 1.00 0.00 H new ATOM 806 N VAL A 57 -4.273 -6.547 -10.144 1.00 0.00 N ATOM 807 CA VAL A 57 -4.844 -5.446 -9.317 1.00 0.00 C ATOM 808 C VAL A 57 -4.686 -4.112 -10.046 1.00 0.00 C ATOM 809 O VAL A 57 -5.112 -3.082 -9.564 1.00 0.00 O ATOM 810 CB VAL A 57 -4.122 -5.382 -7.973 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.213 -6.747 -7.298 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.650 -5.013 -8.191 1.00 0.00 C ATOM 0 H VAL A 57 -3.363 -6.893 -9.840 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.903 -5.641 -9.150 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.587 -4.625 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.700 -6.712 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.260 -7.006 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.744 -7.499 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.140 -4.969 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.175 -5.767 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.587 -4.041 -8.680 1.00 0.00 H new ATOM 822 N ILE A 58 -4.078 -4.113 -11.201 1.00 0.00 N ATOM 823 CA ILE A 58 -3.908 -2.840 -11.938 1.00 0.00 C ATOM 824 C ILE A 58 -5.273 -2.398 -12.460 1.00 0.00 C ATOM 825 O ILE A 58 -5.958 -3.122 -13.153 1.00 0.00 O ATOM 826 CB ILE A 58 -2.878 -3.048 -13.069 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.538 -2.500 -12.589 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.275 -2.320 -14.365 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.400 -3.168 -13.364 1.00 0.00 C ATOM 0 H ILE A 58 -3.695 -4.939 -11.660 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.525 -2.050 -11.292 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.827 -4.113 -13.295 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.504 -1.420 -12.732 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.421 -2.684 -11.521 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.518 -2.498 -15.129 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.237 -2.696 -14.713 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.351 -1.250 -14.172 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.556 -2.774 -13.018 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.430 -4.245 -13.198 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.514 -2.961 -14.428 1.00 0.00 H new ATOM 841 N GLY A 59 -5.673 -1.216 -12.103 1.00 0.00 N ATOM 842 CA GLY A 59 -7.001 -0.715 -12.545 1.00 0.00 C ATOM 843 C GLY A 59 -8.038 -1.048 -11.470 1.00 0.00 C ATOM 844 O GLY A 59 -9.106 -0.472 -11.424 1.00 0.00 O ATOM 0 H GLY A 59 -5.137 -0.571 -11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.962 0.362 -12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.280 -1.174 -13.494 1.00 0.00 H new ATOM 848 N LYS A 60 -7.728 -1.972 -10.596 1.00 0.00 N ATOM 849 CA LYS A 60 -8.688 -2.332 -9.523 1.00 0.00 C ATOM 850 C LYS A 60 -8.613 -1.283 -8.417 1.00 0.00 C ATOM 851 O LYS A 60 -7.545 -0.832 -8.041 1.00 0.00 O ATOM 852 CB LYS A 60 -8.323 -3.703 -8.941 1.00 0.00 C ATOM 853 CG LYS A 60 -8.073 -4.700 -10.077 1.00 0.00 C ATOM 854 CD LYS A 60 -9.338 -4.835 -10.927 1.00 0.00 C ATOM 855 CE LYS A 60 -9.212 -6.058 -11.840 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.570 -6.579 -12.163 1.00 0.00 N ATOM 0 H LYS A 60 -6.849 -2.490 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.697 -2.371 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.433 -3.618 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.128 -4.062 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.241 -4.362 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.792 -5.670 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.212 -4.937 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.485 -3.935 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.687 -5.788 -12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.621 -6.832 -11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.485 -7.410 -12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.055 -6.851 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.119 -5.840 -12.647 1.00 0.00 H new ATOM 870 N ASN A 61 -9.737 -0.892 -7.891 1.00 0.00 N ATOM 871 CA ASN A 61 -9.732 0.118 -6.802 1.00 0.00 C ATOM 872 C ASN A 61 -9.297 -0.566 -5.505 1.00 0.00 C ATOM 873 O ASN A 61 -10.046 -1.301 -4.896 1.00 0.00 O ATOM 874 CB ASN A 61 -11.137 0.702 -6.639 1.00 0.00 C ATOM 875 CG ASN A 61 -11.056 2.230 -6.633 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.536 2.872 -5.721 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.461 2.843 -7.621 1.00 0.00 N ATOM 0 H ASN A 61 -10.659 -1.229 -8.168 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.041 0.926 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.779 0.364 -7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.585 0.347 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.400 3.861 -7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.058 2.304 -8.387 1.00 0.00 H new ATOM 884 N PHE A 62 -8.082 -0.340 -5.090 1.00 0.00 N ATOM 885 CA PHE A 62 -7.572 -0.982 -3.839 1.00 0.00 C ATOM 886 C PHE A 62 -8.488 -0.645 -2.660 1.00 0.00 C ATOM 887 O PHE A 62 -8.479 -1.316 -1.646 1.00 0.00 O ATOM 888 CB PHE A 62 -6.169 -0.446 -3.552 1.00 0.00 C ATOM 889 CG PHE A 62 -5.676 -0.965 -2.223 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.170 -2.264 -2.128 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.719 -0.143 -1.091 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.703 -2.744 -0.898 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.253 -0.621 0.139 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.743 -1.921 0.235 1.00 0.00 C ATOM 0 H PHE A 62 -7.413 0.266 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.548 -2.064 -3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.486 -0.750 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.183 0.644 -3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.139 -2.897 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.112 0.860 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.312 -3.748 -0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.287 0.012 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.380 -2.290 1.183 1.00 0.00 H new ATOM 904 N PHE A 63 -9.256 0.396 -2.768 1.00 0.00 N ATOM 905 CA PHE A 63 -10.143 0.779 -1.634 1.00 0.00 C ATOM 906 C PHE A 63 -11.572 0.298 -1.889 1.00 0.00 C ATOM 907 O PHE A 63 -12.370 0.183 -0.979 1.00 0.00 O ATOM 908 CB PHE A 63 -10.131 2.300 -1.479 1.00 0.00 C ATOM 909 CG PHE A 63 -9.060 2.688 -0.489 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.335 2.658 0.882 1.00 0.00 C ATOM 911 CD2 PHE A 63 -7.792 3.077 -0.941 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.344 3.017 1.801 1.00 0.00 C ATOM 913 CE2 PHE A 63 -6.801 3.437 -0.020 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.077 3.407 1.351 1.00 0.00 C ATOM 0 H PHE A 63 -9.311 0.999 -3.589 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.777 0.311 -0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.942 2.774 -2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.105 2.651 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.312 2.358 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.579 3.099 -2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.556 2.993 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.824 3.738 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.313 3.685 2.062 1.00 0.00 H new ATOM 924 N LYS A 64 -11.906 0.019 -3.116 1.00 0.00 N ATOM 925 CA LYS A 64 -13.283 -0.451 -3.427 1.00 0.00 C ATOM 926 C LYS A 64 -13.226 -1.486 -4.552 1.00 0.00 C ATOM 927 O LYS A 64 -13.983 -1.425 -5.502 1.00 0.00 O ATOM 928 CB LYS A 64 -14.133 0.740 -3.876 1.00 0.00 C ATOM 929 CG LYS A 64 -15.561 0.581 -3.351 1.00 0.00 C ATOM 930 CD LYS A 64 -16.454 1.653 -3.981 1.00 0.00 C ATOM 931 CE LYS A 64 -17.388 2.233 -2.917 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.734 1.607 -3.044 1.00 0.00 N ATOM 0 H LYS A 64 -11.283 0.096 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.724 -0.903 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.700 1.669 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.140 0.804 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.941 -0.412 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.574 0.673 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.841 2.445 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.037 1.223 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.982 2.049 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.465 3.314 -3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.370 2.001 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.121 1.804 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.653 0.579 -2.911 1.00 0.00 H new ATOM 946 N ASP A 65 -12.337 -2.439 -4.457 1.00 0.00 N ATOM 947 CA ASP A 65 -12.245 -3.471 -5.531 1.00 0.00 C ATOM 948 C ASP A 65 -11.197 -4.539 -5.181 1.00 0.00 C ATOM 949 O ASP A 65 -11.311 -5.677 -5.593 1.00 0.00 O ATOM 950 CB ASP A 65 -11.857 -2.797 -6.847 1.00 0.00 C ATOM 951 CG ASP A 65 -12.821 -3.234 -7.952 1.00 0.00 C ATOM 952 OD1 ASP A 65 -12.641 -4.324 -8.471 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.723 -2.472 -8.260 1.00 0.00 O ATOM 0 H ASP A 65 -11.675 -2.547 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.216 -3.957 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.885 -1.713 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.835 -3.063 -7.116 1.00 0.00 H new ATOM 958 N VAL A 66 -10.184 -4.203 -4.424 1.00 0.00 N ATOM 959 CA VAL A 66 -9.165 -5.214 -4.064 1.00 0.00 C ATOM 960 C VAL A 66 -9.349 -5.539 -2.599 1.00 0.00 C ATOM 961 O VAL A 66 -9.571 -6.664 -2.204 1.00 0.00 O ATOM 962 CB VAL A 66 -7.770 -4.612 -4.245 1.00 0.00 C ATOM 963 CG1 VAL A 66 -6.718 -5.710 -4.236 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.683 -3.872 -5.566 1.00 0.00 C ATOM 0 H VAL A 66 -10.025 -3.270 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.269 -6.101 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.591 -3.920 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.730 -5.268 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.756 -6.242 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.913 -6.408 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.685 -3.449 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.880 -4.564 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.421 -3.070 -5.583 1.00 0.00 H new ATOM 974 N ALA A 67 -9.245 -4.528 -1.801 1.00 0.00 N ATOM 975 CA ALA A 67 -9.382 -4.690 -0.344 1.00 0.00 C ATOM 976 C ALA A 67 -10.669 -3.997 0.130 1.00 0.00 C ATOM 977 O ALA A 67 -10.696 -2.789 0.269 1.00 0.00 O ATOM 978 CB ALA A 67 -8.165 -4.037 0.284 1.00 0.00 C ATOM 0 H ALA A 67 -9.066 -3.572 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.443 -5.741 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.220 -4.131 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.261 -4.528 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.138 -2.982 0.012 1.00 0.00 H new ATOM 984 N PRO A 68 -11.710 -4.775 0.359 1.00 0.00 N ATOM 985 CA PRO A 68 -13.010 -4.234 0.802 1.00 0.00 C ATOM 986 C PRO A 68 -12.975 -3.841 2.284 1.00 0.00 C ATOM 987 O PRO A 68 -13.962 -3.390 2.832 1.00 0.00 O ATOM 988 CB PRO A 68 -13.985 -5.389 0.567 1.00 0.00 C ATOM 989 CG PRO A 68 -13.136 -6.682 0.541 1.00 0.00 C ATOM 990 CD PRO A 68 -11.695 -6.253 0.208 1.00 0.00 C ATOM 0 HA PRO A 68 -13.289 -3.327 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.733 -5.432 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.522 -5.258 -0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.176 -7.192 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.515 -7.380 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.976 -6.715 0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.416 -6.547 -0.804 1.00 0.00 H new ATOM 998 N CYS A 69 -11.857 -4.001 2.938 1.00 0.00 N ATOM 999 CA CYS A 69 -11.787 -3.627 4.377 1.00 0.00 C ATOM 1000 C CYS A 69 -11.145 -2.239 4.513 1.00 0.00 C ATOM 1001 O CYS A 69 -11.329 -1.552 5.500 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.953 -4.677 5.139 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.182 -4.456 4.806 1.00 0.00 S ATOM 0 H CYS A 69 -10.994 -4.372 2.540 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.791 -3.596 4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.140 -4.590 6.209 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.262 -5.679 4.842 1.00 0.00 H new ATOM 1008 N THR A 70 -10.383 -1.833 3.534 1.00 0.00 N ATOM 1009 CA THR A 70 -9.717 -0.505 3.611 1.00 0.00 C ATOM 1010 C THR A 70 -10.726 0.611 3.332 1.00 0.00 C ATOM 1011 O THR A 70 -10.393 1.776 3.388 1.00 0.00 O ATOM 1012 CB THR A 70 -8.586 -0.442 2.582 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.084 -0.825 1.308 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.464 -1.394 2.999 1.00 0.00 C ATOM 0 H THR A 70 -10.194 -2.365 2.685 1.00 0.00 H new ATOM 0 HA THR A 70 -9.310 -0.370 4.613 1.00 0.00 H new ATOM 0 HB THR A 70 -8.198 0.575 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.361 -0.784 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.658 -1.350 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.082 -1.100 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.851 -2.412 3.051 1.00 0.00 H new ATOM 1022 N ASP A 71 -11.954 0.272 3.035 1.00 0.00 N ATOM 1023 CA ASP A 71 -12.967 1.330 2.763 1.00 0.00 C ATOM 1024 C ASP A 71 -13.633 1.741 4.078 1.00 0.00 C ATOM 1025 O ASP A 71 -14.838 1.681 4.224 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.024 0.792 1.797 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.543 -0.554 2.304 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.499 -0.769 3.505 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -14.976 -1.346 1.485 1.00 0.00 O ATOM 0 H ASP A 71 -12.296 -0.687 2.970 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.480 2.196 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.847 1.501 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.596 0.677 0.801 1.00 0.00 H new ATOM 1034 N SER A 72 -12.852 2.158 5.036 1.00 0.00 N ATOM 1035 CA SER A 72 -13.422 2.577 6.347 1.00 0.00 C ATOM 1036 C SER A 72 -12.869 3.963 6.711 1.00 0.00 C ATOM 1037 O SER A 72 -12.061 4.500 5.982 1.00 0.00 O ATOM 1038 CB SER A 72 -13.020 1.567 7.423 1.00 0.00 C ATOM 1039 OG SER A 72 -12.605 0.358 6.799 1.00 0.00 O ATOM 0 H SER A 72 -11.837 2.227 4.966 1.00 0.00 H new ATOM 0 HA SER A 72 -14.509 2.619 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.212 1.971 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.860 1.376 8.091 1.00 0.00 H new ATOM 0 HG SER A 72 -11.859 -0.030 7.302 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.320 4.511 7.823 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.874 5.841 8.282 1.00 0.00 C ATOM 1047 C PRO A 73 -11.486 5.776 8.937 1.00 0.00 C ATOM 1048 O PRO A 73 -10.971 6.770 9.405 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.940 6.245 9.304 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.602 4.934 9.791 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.311 3.868 8.720 1.00 0.00 C ATOM 0 HA PRO A 73 -12.775 6.553 7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.493 6.786 10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.678 6.908 8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.198 4.632 10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.676 5.068 9.922 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.912 2.956 9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.216 3.590 8.179 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.873 4.623 8.974 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.526 4.521 9.594 1.00 0.00 C ATOM 1061 C GLU A 74 -8.490 4.238 8.508 1.00 0.00 C ATOM 1062 O GLU A 74 -7.345 4.628 8.603 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.511 3.389 10.613 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.757 3.476 11.495 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.346 3.428 12.967 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.695 4.361 13.411 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.687 2.461 13.627 1.00 0.00 O ATOM 0 H GLU A 74 -11.248 3.751 8.602 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.288 5.459 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.481 2.427 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.613 3.451 11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.298 4.399 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.434 2.652 11.269 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.895 3.576 7.466 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.961 3.281 6.347 1.00 0.00 C ATOM 1076 C PHE A 75 -8.248 4.302 5.248 1.00 0.00 C ATOM 1077 O PHE A 75 -7.477 5.215 5.005 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.212 1.862 5.829 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.913 1.256 5.357 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.336 1.688 4.158 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.289 0.259 6.114 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.136 1.124 3.714 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.086 -0.306 5.673 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.509 0.127 4.472 1.00 0.00 C ATOM 0 H PHE A 75 -9.843 3.222 7.339 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.922 3.344 6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.646 1.248 6.618 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.932 1.885 5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.818 2.458 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.735 -0.075 7.039 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.693 1.457 2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.603 -1.075 6.258 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.581 -0.308 4.131 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.386 4.191 4.616 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.742 5.188 3.578 1.00 0.00 C ATOM 1096 C TYR A 76 -10.059 6.509 4.278 1.00 0.00 C ATOM 1097 O TYR A 76 -10.098 7.543 3.661 1.00 0.00 O ATOM 1098 CB TYR A 76 -10.969 4.723 2.791 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.110 5.565 1.546 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.061 5.632 0.621 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.290 6.281 1.316 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.192 6.412 -0.533 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.421 7.063 0.161 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.372 7.128 -0.762 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.502 7.900 -1.899 1.00 0.00 O ATOM 0 H TYR A 76 -10.077 3.457 4.775 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.911 5.309 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.867 3.671 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.865 4.810 3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.149 5.081 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.100 6.231 2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.383 6.461 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.332 7.616 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.383 8.330 -1.904 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.278 6.474 5.572 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.570 7.725 6.324 1.00 0.00 C ATOM 1117 C GLY A 77 -9.362 8.648 6.244 1.00 0.00 C ATOM 1118 O GLY A 77 -9.432 9.746 5.729 1.00 0.00 O ATOM 0 H GLY A 77 -10.266 5.625 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.448 8.218 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.798 7.494 7.364 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.249 8.204 6.758 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.024 9.052 6.721 1.00 0.00 C ATOM 1124 C LYS A 78 -6.629 9.302 5.272 1.00 0.00 C ATOM 1125 O LYS A 78 -5.870 10.194 4.977 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.886 8.357 7.479 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.426 7.670 8.750 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.550 8.504 9.387 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.465 8.416 10.912 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.612 9.152 11.515 1.00 0.00 N ATOM 0 H LYS A 78 -8.134 7.293 7.201 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.224 10.009 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.409 7.619 6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.122 9.086 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.800 6.677 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.617 7.535 9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.468 9.543 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.520 8.142 9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.481 7.373 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.523 8.840 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.556 9.093 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.577 10.149 11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.505 8.728 11.192 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.151 8.527 4.368 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.839 8.730 2.939 1.00 0.00 C ATOM 1146 C PHE A 79 -7.676 9.894 2.426 1.00 0.00 C ATOM 1147 O PHE A 79 -7.219 10.697 1.656 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.195 7.457 2.184 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.066 7.651 0.685 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.051 8.358 -0.019 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.976 7.102 -0.005 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.946 8.512 -1.408 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.875 7.260 -1.388 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.857 7.958 -2.090 1.00 0.00 C ATOM 0 H PHE A 79 -7.787 7.754 4.565 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.782 8.952 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.541 6.646 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.215 7.160 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.891 8.784 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.215 6.557 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.704 9.057 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.032 6.840 -1.917 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.777 8.071 -3.161 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.890 10.002 2.872 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.743 11.122 2.436 1.00 0.00 C ATOM 1166 C LYS A 80 -9.341 12.374 3.216 1.00 0.00 C ATOM 1167 O LYS A 80 -9.801 13.465 2.943 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.204 10.792 2.728 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.915 10.412 1.429 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.407 10.224 1.704 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.223 11.019 0.683 1.00 0.00 C ATOM 1172 NZ LYS A 80 -15.592 11.257 1.221 1.00 0.00 N ATOM 0 H LYS A 80 -9.328 9.354 3.526 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.619 11.291 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.266 9.970 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.696 11.650 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.767 11.189 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.490 9.494 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.667 9.167 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.645 10.558 2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.734 11.969 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.280 10.472 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.148 11.797 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.057 10.345 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.527 11.795 2.109 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.477 12.219 4.185 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.033 13.395 4.983 1.00 0.00 C ATOM 1188 C GLU A 81 -6.728 13.900 4.387 1.00 0.00 C ATOM 1189 O GLU A 81 -6.502 15.085 4.245 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.808 12.974 6.439 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.035 12.216 6.954 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.866 13.137 7.851 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.009 14.297 7.503 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.346 12.665 8.868 1.00 0.00 O ATOM 0 H GLU A 81 -8.061 11.328 4.457 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.790 14.179 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.922 12.343 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.626 13.853 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.638 11.867 6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.722 11.333 7.512 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.880 12.988 4.017 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.583 13.370 3.398 1.00 0.00 C ATOM 1203 C GLY A 82 -4.868 13.936 2.010 1.00 0.00 C ATOM 1204 O GLY A 82 -4.271 14.901 1.580 1.00 0.00 O ATOM 0 H GLY A 82 -6.030 11.984 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.071 14.110 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.925 12.504 3.328 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.788 13.333 1.310 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.142 13.823 -0.055 1.00 0.00 C ATOM 1210 C VAL A 83 -6.753 15.227 0.043 1.00 0.00 C ATOM 1211 O VAL A 83 -6.501 16.082 -0.782 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.175 12.883 -0.683 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.528 13.371 -2.088 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.605 11.468 -0.769 1.00 0.00 C ATOM 0 H VAL A 83 -6.314 12.518 1.625 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.241 13.852 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.071 12.875 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.263 12.700 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.943 14.377 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.630 13.384 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.345 10.804 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.705 11.475 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.358 11.114 0.232 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.571 15.460 1.035 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.219 16.798 1.176 1.00 0.00 C ATOM 1226 C ALA A 84 -7.330 17.752 1.982 1.00 0.00 C ATOM 1227 O ALA A 84 -7.609 18.931 2.078 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.558 16.629 1.894 1.00 0.00 C ATOM 0 H ALA A 84 -7.819 14.781 1.755 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.371 17.221 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.039 17.601 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.202 15.968 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.390 16.196 2.880 1.00 0.00 H new ATOM 1234 N SER A 85 -6.270 17.266 2.567 1.00 0.00 N ATOM 1235 CA SER A 85 -5.390 18.168 3.364 1.00 0.00 C ATOM 1236 C SER A 85 -4.136 18.526 2.558 1.00 0.00 C ATOM 1237 O SER A 85 -3.437 19.469 2.873 1.00 0.00 O ATOM 1238 CB SER A 85 -4.976 17.461 4.654 1.00 0.00 C ATOM 1239 OG SER A 85 -3.824 18.099 5.189 1.00 0.00 O ATOM 0 H SER A 85 -5.976 16.290 2.529 1.00 0.00 H new ATOM 0 HA SER A 85 -5.936 19.081 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.791 17.491 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.765 16.410 4.455 1.00 0.00 H new ATOM 0 HG SER A 85 -3.556 17.649 6.018 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.842 17.784 1.526 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.631 18.086 0.713 1.00 0.00 C ATOM 1247 C GLY A 86 -1.393 17.540 1.428 1.00 0.00 C ATOM 1248 O GLY A 86 -0.286 17.989 1.204 1.00 0.00 O ATOM 0 H GLY A 86 -4.388 16.982 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.722 17.637 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.536 19.162 0.567 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.573 16.575 2.291 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.409 16.001 3.025 1.00 0.00 C ATOM 1254 C ASN A 87 -0.811 14.661 3.642 1.00 0.00 C ATOM 1255 O ASN A 87 -0.976 14.544 4.840 1.00 0.00 O ATOM 1256 CB ASN A 87 0.018 16.964 4.134 1.00 0.00 C ATOM 1257 CG ASN A 87 1.335 16.485 4.746 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.375 16.576 4.125 1.00 0.00 O ATOM 1259 ND2 ASN A 87 1.335 15.976 5.947 1.00 0.00 N ATOM 0 H ASN A 87 -2.476 16.160 2.519 1.00 0.00 H new ATOM 0 HA ASN A 87 0.421 15.851 2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.136 17.970 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.754 17.017 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.208 15.654 6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.462 15.900 6.469 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.974 13.650 2.833 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.371 12.319 3.373 1.00 0.00 C ATOM 1268 C LEU A 88 -0.190 11.683 4.101 1.00 0.00 C ATOM 1269 O LEU A 88 0.841 11.419 3.520 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.810 11.415 2.222 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.814 10.386 2.741 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -4.066 10.400 1.862 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.178 8.994 2.702 1.00 0.00 C ATOM 0 H LEU A 88 -0.849 13.688 1.821 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.197 12.445 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.260 12.011 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.945 10.911 1.791 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.091 10.633 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.780 9.665 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.518 11.391 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.793 10.153 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.891 8.258 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.902 8.749 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.287 8.983 3.330 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.338 11.437 5.373 1.00 0.00 N ATOM 1286 CA ASN A 89 0.769 10.815 6.151 1.00 0.00 C ATOM 1287 C ASN A 89 0.199 10.205 7.432 1.00 0.00 C ATOM 1288 O ASN A 89 0.170 10.838 8.468 1.00 0.00 O ATOM 1289 CB ASN A 89 1.802 11.885 6.510 1.00 0.00 C ATOM 1290 CG ASN A 89 3.025 11.224 7.148 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.639 10.358 6.557 1.00 0.00 O ATOM 1292 ND2 ASN A 89 3.407 11.600 8.337 1.00 0.00 N ATOM 0 H ASN A 89 -1.182 11.641 5.909 1.00 0.00 H new ATOM 0 HA ASN A 89 1.247 10.037 5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.098 12.434 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.366 12.609 7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.222 11.167 8.772 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.891 12.327 8.832 1.00 0.00 H new ATOM 1299 N THR A 90 -0.260 8.985 7.375 1.00 0.00 N ATOM 1300 CA THR A 90 -0.829 8.358 8.600 1.00 0.00 C ATOM 1301 C THR A 90 -0.342 6.914 8.716 1.00 0.00 C ATOM 1302 O THR A 90 0.111 6.317 7.759 1.00 0.00 O ATOM 1303 CB THR A 90 -2.357 8.378 8.523 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.892 7.635 9.609 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.814 7.756 7.202 1.00 0.00 C ATOM 0 H THR A 90 -0.266 8.399 6.540 1.00 0.00 H new ATOM 0 HA THR A 90 -0.502 8.919 9.475 1.00 0.00 H new ATOM 0 HB THR A 90 -2.710 9.408 8.576 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.576 8.168 10.065 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.903 7.772 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.403 8.327 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.463 6.726 7.144 1.00 0.00 H new ATOM 1313 N MET A 91 -0.435 6.349 9.888 1.00 0.00 N ATOM 1314 CA MET A 91 0.016 4.946 10.085 1.00 0.00 C ATOM 1315 C MET A 91 -0.829 4.302 11.182 1.00 0.00 C ATOM 1316 O MET A 91 -1.210 4.942 12.142 1.00 0.00 O ATOM 1317 CB MET A 91 1.490 4.932 10.495 1.00 0.00 C ATOM 1318 CG MET A 91 1.661 5.696 11.809 1.00 0.00 C ATOM 1319 SD MET A 91 3.425 5.859 12.184 1.00 0.00 S ATOM 1320 CE MET A 91 3.419 7.640 12.507 1.00 0.00 C ATOM 0 H MET A 91 -0.807 6.803 10.722 1.00 0.00 H new ATOM 0 HA MET A 91 -0.100 4.388 9.156 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.836 3.905 10.611 1.00 0.00 H new ATOM 0 HB3 MET A 91 2.100 5.388 9.715 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.202 6.681 11.732 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.153 5.170 12.617 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.427 7.967 12.764 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.082 8.170 11.616 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.745 7.857 13.336 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.127 3.045 11.044 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.952 2.357 12.074 1.00 0.00 C ATOM 1332 C PHE A 92 -1.687 0.854 12.031 1.00 0.00 C ATOM 1333 O PHE A 92 -0.833 0.377 11.314 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.440 2.617 11.806 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.746 2.463 10.331 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.572 3.547 9.464 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.219 1.242 9.833 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.867 3.411 8.100 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.516 1.108 8.471 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.341 2.191 7.604 1.00 0.00 C ATOM 0 H PHE A 92 -0.835 2.461 10.261 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.686 2.745 13.057 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.047 1.921 12.384 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.705 3.621 12.136 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.210 4.490 9.846 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.355 0.403 10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.728 4.248 7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.881 0.166 8.089 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.571 2.086 6.554 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.424 0.103 12.791 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.236 -1.373 12.784 1.00 0.00 C ATOM 1352 C GLU A 93 -3.494 -1.996 12.191 1.00 0.00 C ATOM 1353 O GLU A 93 -4.569 -1.889 12.747 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.025 -1.877 14.212 1.00 0.00 C ATOM 1355 CG GLU A 93 -0.573 -2.326 14.381 1.00 0.00 C ATOM 1356 CD GLU A 93 0.196 -1.275 15.185 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -0.396 -0.694 16.080 1.00 0.00 O ATOM 1358 OE2 GLU A 93 1.361 -1.069 14.892 1.00 0.00 O ATOM 0 H GLU A 93 -3.151 0.445 13.419 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.361 -1.645 12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.259 -1.088 14.927 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.701 -2.706 14.421 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.536 -3.288 14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.108 -2.465 13.405 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.384 -2.616 11.050 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.594 -3.205 10.422 1.00 0.00 C ATOM 1367 C TYR A 94 -4.478 -4.725 10.342 1.00 0.00 C ATOM 1368 O TYR A 94 -3.529 -5.319 10.813 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.750 -2.626 9.014 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.193 -2.254 8.782 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.734 -1.128 9.414 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -6.989 -3.033 7.937 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.073 -0.782 9.200 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.328 -2.687 7.723 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.870 -1.562 8.354 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.190 -1.221 8.143 1.00 0.00 O ATOM 0 H TYR A 94 -2.515 -2.739 10.530 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.466 -2.961 11.029 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.114 -1.749 8.897 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.427 -3.355 8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.118 -0.527 10.066 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.571 -3.901 7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.491 0.086 9.687 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.943 -3.289 7.070 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.430 -1.403 7.210 1.00 0.00 H new ATOM 1386 N THR A 95 -5.448 -5.350 9.741 1.00 0.00 N ATOM 1387 CA THR A 95 -5.433 -6.832 9.608 1.00 0.00 C ATOM 1388 C THR A 95 -6.266 -7.218 8.386 1.00 0.00 C ATOM 1389 O THR A 95 -7.474 -7.092 8.382 1.00 0.00 O ATOM 1390 CB THR A 95 -6.033 -7.470 10.869 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.162 -7.248 11.968 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.211 -8.978 10.655 1.00 0.00 C ATOM 0 H THR A 95 -6.262 -4.892 9.331 1.00 0.00 H new ATOM 0 HA THR A 95 -4.409 -7.187 9.488 1.00 0.00 H new ATOM 0 HB THR A 95 -7.004 -7.020 11.073 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.431 -6.657 11.692 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.637 -9.425 11.553 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.880 -9.149 9.812 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.242 -9.433 10.448 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.631 -7.681 7.351 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.389 -8.069 6.132 1.00 0.00 C ATOM 1402 C PHE A 96 -6.881 -9.505 6.270 1.00 0.00 C ATOM 1403 O PHE A 96 -6.118 -10.413 6.530 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.484 -7.963 4.903 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.795 -6.613 4.863 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.380 -5.488 5.468 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.566 -6.491 4.209 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.731 -4.250 5.416 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -2.918 -5.254 4.158 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.501 -4.132 4.761 1.00 0.00 C ATOM 0 H PHE A 96 -4.621 -7.808 7.295 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.241 -7.399 6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.738 -8.758 4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.074 -8.103 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.330 -5.579 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.116 -7.355 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.180 -3.385 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -1.967 -5.163 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.001 -3.176 4.720 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.151 -9.719 6.092 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.690 -11.097 6.209 1.00 0.00 C ATOM 1422 C ASP A 97 -9.963 -11.224 5.380 1.00 0.00 C ATOM 1423 O ASP A 97 -10.976 -11.701 5.852 1.00 0.00 O ATOM 1424 CB ASP A 97 -8.999 -11.400 7.675 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.366 -12.877 7.822 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -8.763 -13.688 7.138 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.242 -13.174 8.617 1.00 0.00 O ATOM 0 H ASP A 97 -8.839 -8.999 5.871 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.950 -11.807 5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.135 -11.165 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.821 -10.773 8.022 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.917 -10.831 4.137 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.126 -10.969 3.285 1.00 0.00 C ATOM 1434 C TYR A 98 -11.208 -12.436 2.872 1.00 0.00 C ATOM 1435 O TYR A 98 -10.198 -13.018 2.546 1.00 0.00 O ATOM 1436 CB TYR A 98 -11.014 -10.053 2.044 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.853 -10.472 1.157 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.928 -11.655 0.413 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.701 -9.676 1.081 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.862 -12.048 -0.397 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.631 -10.068 0.263 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.712 -11.254 -0.475 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.658 -11.643 -1.276 1.00 0.00 O ATOM 0 H TYR A 98 -9.101 -10.424 3.680 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.025 -10.671 3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.943 -10.092 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.878 -9.019 2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.816 -12.267 0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.638 -8.762 1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.924 -12.965 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.744 -9.454 0.203 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.185 -10.849 -1.602 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.395 -13.029 2.921 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.609 -14.493 2.561 1.00 0.00 C ATOM 1455 C GLN A 99 -11.286 -15.220 2.266 1.00 0.00 C ATOM 1456 O GLN A 99 -11.037 -15.658 1.161 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.519 -14.578 1.332 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.907 -13.783 0.175 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.450 -14.316 -1.152 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -14.540 -13.966 -1.559 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -12.732 -15.154 -1.847 1.00 0.00 N ATOM 0 H GLN A 99 -13.249 -12.547 3.203 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.069 -14.983 3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.653 -15.619 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.507 -14.185 1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -13.147 -12.725 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.820 -13.867 0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.817 -15.447 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.085 -15.516 -2.733 1.00 0.00 H new ATOM 1470 N MET A 100 -10.425 -15.313 3.244 1.00 0.00 N ATOM 1471 CA MET A 100 -9.106 -15.963 3.019 1.00 0.00 C ATOM 1472 C MET A 100 -8.348 -16.043 4.350 1.00 0.00 C ATOM 1473 O MET A 100 -8.938 -16.051 5.412 1.00 0.00 O ATOM 1474 CB MET A 100 -8.298 -15.113 2.026 1.00 0.00 C ATOM 1475 CG MET A 100 -7.471 -16.026 1.118 1.00 0.00 C ATOM 1476 SD MET A 100 -5.759 -15.435 1.052 1.00 0.00 S ATOM 1477 CE MET A 100 -6.122 -13.700 0.688 1.00 0.00 C ATOM 0 H MET A 100 -10.581 -14.965 4.190 1.00 0.00 H new ATOM 0 HA MET A 100 -9.249 -16.967 2.620 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.971 -14.500 1.426 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.642 -14.431 2.566 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.498 -17.049 1.493 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.899 -16.042 0.116 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.316 -13.278 0.087 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.060 -13.632 0.136 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.209 -13.143 1.621 1.00 0.00 H new ATOM 1487 N THR A 101 -7.043 -16.092 4.300 1.00 0.00 N ATOM 1488 CA THR A 101 -6.248 -16.159 5.559 1.00 0.00 C ATOM 1489 C THR A 101 -6.069 -14.739 6.120 1.00 0.00 C ATOM 1490 O THR A 101 -6.211 -13.774 5.395 1.00 0.00 O ATOM 1491 CB THR A 101 -4.873 -16.770 5.268 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.511 -16.509 3.918 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.921 -18.281 5.507 1.00 0.00 C ATOM 0 H THR A 101 -6.494 -16.088 3.440 1.00 0.00 H new ATOM 0 HA THR A 101 -6.770 -16.779 6.287 1.00 0.00 H new ATOM 0 HB THR A 101 -4.132 -16.325 5.932 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.631 -16.899 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.942 -18.713 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.192 -18.477 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.663 -18.730 4.847 1.00 0.00 H new ATOM 1501 N PRO A 102 -5.765 -14.646 7.399 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.566 -13.347 8.069 1.00 0.00 C ATOM 1503 C PRO A 102 -4.180 -12.782 7.744 1.00 0.00 C ATOM 1504 O PRO A 102 -3.273 -13.509 7.389 1.00 0.00 O ATOM 1505 CB PRO A 102 -5.681 -13.688 9.558 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.371 -15.199 9.686 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.590 -15.815 8.292 1.00 0.00 C ATOM 0 HA PRO A 102 -6.283 -12.589 7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.980 -13.097 10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.680 -13.464 9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.346 -15.357 10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.024 -15.667 10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.739 -16.424 7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.467 -16.462 8.276 1.00 0.00 H new ATOM 1515 N THR A 103 -4.008 -11.492 7.861 1.00 0.00 N ATOM 1516 CA THR A 103 -2.678 -10.892 7.558 1.00 0.00 C ATOM 1517 C THR A 103 -2.479 -9.625 8.393 1.00 0.00 C ATOM 1518 O THR A 103 -2.723 -8.529 7.933 1.00 0.00 O ATOM 1519 CB THR A 103 -2.600 -10.543 6.059 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.423 -11.736 5.309 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.419 -9.593 5.788 1.00 0.00 C ATOM 0 H THR A 103 -4.728 -10.831 8.152 1.00 0.00 H new ATOM 0 HA THR A 103 -1.895 -11.609 7.804 1.00 0.00 H new ATOM 0 HB THR A 103 -3.525 -10.048 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.591 -12.512 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.379 -9.357 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.553 -8.674 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.488 -10.075 6.088 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.001 -9.757 9.595 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.754 -8.544 10.416 1.00 0.00 C ATOM 1531 C LYS A 104 -0.573 -7.812 9.790 1.00 0.00 C ATOM 1532 O LYS A 104 0.371 -8.434 9.359 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.392 -8.952 11.845 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.775 -7.833 12.816 1.00 0.00 C ATOM 1535 CD LYS A 104 -1.462 -8.270 14.251 1.00 0.00 C ATOM 1536 CE LYS A 104 -2.730 -8.820 14.910 1.00 0.00 C ATOM 1537 NZ LYS A 104 -2.356 -9.704 16.052 1.00 0.00 N ATOM 0 H LYS A 104 -1.772 -10.645 10.042 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.641 -7.911 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.911 -9.872 12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.324 -9.157 11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.225 -6.923 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.835 -7.600 12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.682 -9.032 14.248 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.080 -7.425 14.824 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.355 -7.999 15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.318 -9.379 14.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.218 -10.077 16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.777 -10.494 15.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.813 -9.158 16.750 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.611 -6.511 9.709 1.00 0.00 N ATOM 1552 CA VAL A 105 0.534 -5.786 9.077 1.00 0.00 C ATOM 1553 C VAL A 105 0.686 -4.366 9.652 1.00 0.00 C ATOM 1554 O VAL A 105 -0.288 -3.694 9.934 1.00 0.00 O ATOM 1555 CB VAL A 105 0.242 -5.635 7.573 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.064 -7.006 6.968 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -0.974 -4.705 7.364 1.00 0.00 C ATOM 0 H VAL A 105 -1.372 -5.922 10.047 1.00 0.00 H new ATOM 0 HA VAL A 105 1.444 -6.355 9.269 1.00 0.00 H new ATOM 0 HB VAL A 105 1.116 -5.205 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.270 -6.896 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.794 -7.664 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.934 -7.436 7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.175 -4.603 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.847 -5.131 7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.759 -3.724 7.788 1.00 0.00 H new ATOM 1567 N LYS A 106 1.894 -3.867 9.717 1.00 0.00 N ATOM 1568 CA LYS A 106 2.085 -2.454 10.143 1.00 0.00 C ATOM 1569 C LYS A 106 1.757 -1.668 8.892 1.00 0.00 C ATOM 1570 O LYS A 106 2.370 -1.888 7.885 1.00 0.00 O ATOM 1571 CB LYS A 106 3.553 -2.167 10.498 1.00 0.00 C ATOM 1572 CG LYS A 106 3.952 -2.865 11.791 1.00 0.00 C ATOM 1573 CD LYS A 106 3.841 -4.377 11.616 1.00 0.00 C ATOM 1574 CE LYS A 106 4.594 -5.075 12.748 1.00 0.00 C ATOM 1575 NZ LYS A 106 3.970 -4.715 14.054 1.00 0.00 N ATOM 0 H LYS A 106 2.750 -4.376 9.494 1.00 0.00 H new ATOM 0 HA LYS A 106 1.480 -2.213 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.199 -2.502 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.702 -1.092 10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.973 -2.595 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.308 -2.536 12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.794 -4.679 11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.254 -4.674 10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.567 -6.155 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.643 -4.778 12.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 4.329 -5.348 14.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 4.208 -3.731 14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.937 -4.814 13.984 1.00 0.00 H new ATOM 1589 N VAL A 107 0.793 -0.806 8.893 1.00 0.00 N ATOM 1590 CA VAL A 107 0.483 -0.107 7.615 1.00 0.00 C ATOM 1591 C VAL A 107 1.011 1.322 7.646 1.00 0.00 C ATOM 1592 O VAL A 107 1.075 1.954 8.683 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.030 -0.057 7.429 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.601 -1.466 7.350 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.632 0.670 8.621 1.00 0.00 C ATOM 0 H VAL A 107 0.216 -0.555 9.696 1.00 0.00 H new ATOM 0 HA VAL A 107 0.956 -0.649 6.796 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.270 0.464 6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.682 -1.414 7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.157 -1.992 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.374 -2.003 8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.715 0.718 8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.385 0.133 9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.228 1.681 8.673 1.00 0.00 H new ATOM 1605 N HIS A 108 1.348 1.849 6.508 1.00 0.00 N ATOM 1606 CA HIS A 108 1.831 3.258 6.463 1.00 0.00 C ATOM 1607 C HIS A 108 1.441 3.860 5.119 1.00 0.00 C ATOM 1608 O HIS A 108 1.991 3.517 4.103 1.00 0.00 O ATOM 1609 CB HIS A 108 3.348 3.308 6.635 1.00 0.00 C ATOM 1610 CG HIS A 108 3.718 4.616 7.278 1.00 0.00 C ATOM 1611 ND1 HIS A 108 4.793 4.744 8.145 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.158 5.866 7.192 1.00 0.00 C ATOM 1613 CE1 HIS A 108 4.847 6.029 8.537 1.00 0.00 C ATOM 1614 NE2 HIS A 108 3.871 6.757 7.987 1.00 0.00 N ATOM 0 H HIS A 108 1.312 1.370 5.608 1.00 0.00 H new ATOM 0 HA HIS A 108 1.377 3.826 7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.686 2.475 7.252 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.841 3.210 5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.294 6.120 6.596 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.589 6.425 9.214 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.688 7.751 8.121 1.00 0.00 H new ATOM 1622 N MET A 109 0.475 4.730 5.098 1.00 0.00 N ATOM 1623 CA MET A 109 0.036 5.315 3.793 1.00 0.00 C ATOM 1624 C MET A 109 0.464 6.787 3.696 1.00 0.00 C ATOM 1625 O MET A 109 0.288 7.539 4.635 1.00 0.00 O ATOM 1626 CB MET A 109 -1.496 5.229 3.692 1.00 0.00 C ATOM 1627 CG MET A 109 -2.010 3.949 4.375 1.00 0.00 C ATOM 1628 SD MET A 109 -3.813 3.878 4.240 1.00 0.00 S ATOM 1629 CE MET A 109 -4.172 5.409 5.134 1.00 0.00 C ATOM 0 H MET A 109 -0.030 5.063 5.919 1.00 0.00 H new ATOM 0 HA MET A 109 0.500 4.756 2.980 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.947 6.104 4.160 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.798 5.236 2.645 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.565 3.071 3.908 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.712 3.938 5.423 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.085 5.285 5.717 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.344 5.643 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.304 6.224 4.422 1.00 0.00 H new ATOM 1639 N LYS A 110 1.019 7.229 2.579 1.00 0.00 N ATOM 1640 CA LYS A 110 1.422 8.673 2.506 1.00 0.00 C ATOM 1641 C LYS A 110 0.982 9.272 1.168 1.00 0.00 C ATOM 1642 O LYS A 110 0.237 8.672 0.424 1.00 0.00 O ATOM 1643 CB LYS A 110 2.943 8.783 2.647 1.00 0.00 C ATOM 1644 CG LYS A 110 3.311 9.963 3.552 1.00 0.00 C ATOM 1645 CD LYS A 110 4.833 10.104 3.616 1.00 0.00 C ATOM 1646 CE LYS A 110 5.232 11.527 3.215 1.00 0.00 C ATOM 1647 NZ LYS A 110 4.456 12.511 4.024 1.00 0.00 N ATOM 0 H LYS A 110 1.203 6.671 1.745 1.00 0.00 H new ATOM 0 HA LYS A 110 0.940 9.223 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.344 7.859 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.397 8.914 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.866 10.881 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.908 9.807 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.187 9.886 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.304 9.381 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.301 11.674 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.042 11.683 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.050 13.340 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.613 12.809 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.163 12.070 4.919 1.00 0.00 H new ATOM 1661 N LYS A 111 1.439 10.455 0.856 1.00 0.00 N ATOM 1662 CA LYS A 111 1.052 11.088 -0.435 1.00 0.00 C ATOM 1663 C LYS A 111 2.234 10.992 -1.397 1.00 0.00 C ATOM 1664 O LYS A 111 3.179 11.753 -1.321 1.00 0.00 O ATOM 1665 CB LYS A 111 0.683 12.556 -0.208 1.00 0.00 C ATOM 1666 CG LYS A 111 1.707 13.211 0.721 1.00 0.00 C ATOM 1667 CD LYS A 111 1.924 14.665 0.299 1.00 0.00 C ATOM 1668 CE LYS A 111 2.900 14.713 -0.876 1.00 0.00 C ATOM 1669 NZ LYS A 111 3.372 16.112 -1.070 1.00 0.00 N ATOM 0 H LYS A 111 2.064 11.010 1.441 1.00 0.00 H new ATOM 0 HA LYS A 111 0.187 10.574 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.653 13.084 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.314 12.627 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.357 13.169 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.650 12.666 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.974 15.118 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.316 15.243 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.748 14.055 -0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.413 14.353 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.036 16.147 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.558 16.728 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.851 16.439 -0.207 1.00 0.00 H new ATOM 1683 N ALA A 112 2.190 10.047 -2.294 1.00 0.00 N ATOM 1684 CA ALA A 112 3.306 9.864 -3.266 1.00 0.00 C ATOM 1685 C ALA A 112 3.711 11.209 -3.883 1.00 0.00 C ATOM 1686 O ALA A 112 2.890 12.073 -4.113 1.00 0.00 O ATOM 1687 CB ALA A 112 2.846 8.903 -4.360 1.00 0.00 C ATOM 0 H ALA A 112 1.420 9.386 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 112 4.175 9.455 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.652 8.758 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.581 7.944 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.976 9.319 -4.868 1.00 0.00 H new ATOM 1693 N LEU A 113 4.980 11.386 -4.142 1.00 0.00 N ATOM 1694 CA LEU A 113 5.460 12.669 -4.734 1.00 0.00 C ATOM 1695 C LEU A 113 5.179 12.682 -6.242 1.00 0.00 C ATOM 1696 O LEU A 113 5.148 13.725 -6.864 1.00 0.00 O ATOM 1697 CB LEU A 113 6.973 12.801 -4.476 1.00 0.00 C ATOM 1698 CG LEU A 113 7.502 14.195 -4.873 1.00 0.00 C ATOM 1699 CD1 LEU A 113 7.684 14.270 -6.389 1.00 0.00 C ATOM 1700 CD2 LEU A 113 6.532 15.295 -4.421 1.00 0.00 C ATOM 0 H LEU A 113 5.708 10.693 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 113 4.937 13.508 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.179 12.621 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.506 12.036 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 113 8.462 14.349 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.058 15.257 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.398 13.511 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.726 14.096 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.926 16.269 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.561 15.140 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.419 15.258 -3.337 1.00 0.00 H new ATOM 1712 N SER A 114 4.964 11.530 -6.830 1.00 0.00 N ATOM 1713 CA SER A 114 4.678 11.460 -8.299 1.00 0.00 C ATOM 1714 C SER A 114 3.677 12.549 -8.706 1.00 0.00 C ATOM 1715 O SER A 114 3.672 13.010 -9.829 1.00 0.00 O ATOM 1716 CB SER A 114 4.090 10.089 -8.628 1.00 0.00 C ATOM 1717 OG SER A 114 5.116 9.108 -8.557 1.00 0.00 O ATOM 0 H SER A 114 4.974 10.629 -6.352 1.00 0.00 H new ATOM 0 HA SER A 114 5.607 11.615 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.290 9.846 -7.928 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.649 10.099 -9.625 1.00 0.00 H new ATOM 0 HG SER A 114 4.741 8.227 -8.766 1.00 0.00 H new ATOM 1723 N GLY A 115 2.834 12.963 -7.800 1.00 0.00 N ATOM 1724 CA GLY A 115 1.840 14.021 -8.135 1.00 0.00 C ATOM 1725 C GLY A 115 0.724 14.016 -7.091 1.00 0.00 C ATOM 1726 O GLY A 115 -0.435 13.835 -7.409 1.00 0.00 O ATOM 0 H GLY A 115 2.791 12.614 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.325 14.997 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.426 13.845 -9.128 1.00 0.00 H new ATOM 1730 N ASP A 116 1.061 14.209 -5.844 1.00 0.00 N ATOM 1731 CA ASP A 116 0.014 14.210 -4.785 1.00 0.00 C ATOM 1732 C ASP A 116 -0.731 12.876 -4.818 1.00 0.00 C ATOM 1733 O ASP A 116 -1.910 12.803 -4.531 1.00 0.00 O ATOM 1734 CB ASP A 116 -0.970 15.353 -5.041 1.00 0.00 C ATOM 1735 CG ASP A 116 -0.717 16.481 -4.039 1.00 0.00 C ATOM 1736 OD1 ASP A 116 0.344 17.082 -4.108 1.00 0.00 O ATOM 1737 OD2 ASP A 116 -1.587 16.728 -3.221 1.00 0.00 O ATOM 0 H ASP A 116 2.014 14.365 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 116 0.478 14.347 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -0.855 15.725 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.994 14.992 -4.947 1.00 0.00 H new ATOM 1742 N SER A 117 -0.054 11.819 -5.172 1.00 0.00 N ATOM 1743 CA SER A 117 -0.720 10.489 -5.232 1.00 0.00 C ATOM 1744 C SER A 117 -1.000 9.982 -3.814 1.00 0.00 C ATOM 1745 O SER A 117 -1.031 10.742 -2.865 1.00 0.00 O ATOM 1746 CB SER A 117 0.188 9.499 -5.961 1.00 0.00 C ATOM 1747 OG SER A 117 -0.510 8.954 -7.074 1.00 0.00 O ATOM 0 H SER A 117 0.935 11.820 -5.423 1.00 0.00 H new ATOM 0 HA SER A 117 -1.664 10.583 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.096 10.000 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.495 8.702 -5.284 1.00 0.00 H new ATOM 0 HG SER A 117 -1.434 8.754 -6.815 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.216 8.703 -3.668 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.509 8.131 -2.319 1.00 0.00 C ATOM 1755 C TYR A 118 -1.047 6.676 -2.298 1.00 0.00 C ATOM 1756 O TYR A 118 -1.560 5.856 -3.036 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.024 8.168 -2.074 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.578 9.481 -2.528 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.450 10.616 -1.727 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.220 9.556 -3.762 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.969 11.833 -2.165 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.736 10.768 -4.204 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.613 11.914 -3.407 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.126 13.118 -3.845 1.00 0.00 O ATOM 0 H TYR A 118 -1.202 8.024 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.994 8.707 -1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.509 7.353 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.234 8.021 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.951 10.552 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.317 8.672 -4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.875 12.714 -1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.232 10.827 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.873 12.952 -4.457 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.086 6.333 -1.480 1.00 0.00 N ATOM 1775 CA TRP A 119 0.371 4.920 -1.469 1.00 0.00 C ATOM 1776 C TRP A 119 0.240 4.288 -0.093 1.00 0.00 C ATOM 1777 O TRP A 119 0.328 4.936 0.916 1.00 0.00 O ATOM 1778 CB TRP A 119 1.797 4.818 -1.995 1.00 0.00 C ATOM 1779 CG TRP A 119 2.713 5.797 -1.349 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.230 6.887 -1.928 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.269 5.738 -0.033 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.086 7.510 -1.034 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.140 6.824 0.160 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.086 4.836 0.987 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.825 6.998 1.361 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.765 4.988 2.206 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.638 6.070 2.391 1.00 0.00 C ATOM 0 H TRP A 119 0.392 6.960 -0.832 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.282 4.356 -2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.172 3.808 -1.827 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.796 4.982 -3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.015 7.226 -2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.607 8.364 -1.233 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.413 4.002 0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.491 7.838 1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.615 4.272 3.001 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.165 6.187 3.327 1.00 0.00 H new ATOM 1798 N VAL A 120 0.007 3.001 -0.068 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.153 2.277 1.220 1.00 0.00 C ATOM 1800 C VAL A 120 0.846 1.116 1.281 1.00 0.00 C ATOM 1801 O VAL A 120 0.696 0.120 0.600 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.575 1.715 1.313 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.753 1.009 2.656 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.585 2.859 1.196 1.00 0.00 C ATOM 0 H VAL A 120 -0.080 2.417 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 120 0.029 2.964 2.046 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.741 1.004 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.764 0.608 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.033 0.194 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.589 1.720 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.597 2.459 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.423 3.572 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.456 3.362 0.238 1.00 0.00 H new ATOM 1814 N PHE A 121 1.858 1.235 2.093 1.00 0.00 N ATOM 1815 CA PHE A 121 2.858 0.138 2.205 1.00 0.00 C ATOM 1816 C PHE A 121 2.447 -0.800 3.327 1.00 0.00 C ATOM 1817 O PHE A 121 2.308 -0.388 4.459 1.00 0.00 O ATOM 1818 CB PHE A 121 4.241 0.719 2.525 1.00 0.00 C ATOM 1819 CG PHE A 121 4.624 1.779 1.512 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.980 1.850 0.268 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.633 2.691 1.826 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.344 2.831 -0.657 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.994 3.676 0.901 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.350 3.746 -0.339 1.00 0.00 C ATOM 0 H PHE A 121 2.036 2.046 2.685 1.00 0.00 H new ATOM 0 HA PHE A 121 2.902 -0.402 1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.237 1.150 3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.985 -0.078 2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.200 1.144 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.134 2.636 2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.849 2.882 -1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.772 4.384 1.145 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.631 4.508 -1.051 1.00 0.00 H new ATOM 1834 N VAL A 122 2.230 -2.051 3.035 1.00 0.00 N ATOM 1835 CA VAL A 122 1.813 -2.973 4.113 1.00 0.00 C ATOM 1836 C VAL A 122 2.988 -3.834 4.577 1.00 0.00 C ATOM 1837 O VAL A 122 3.532 -4.639 3.843 1.00 0.00 O ATOM 1838 CB VAL A 122 0.633 -3.833 3.615 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.715 -5.284 4.116 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.652 -3.212 4.140 1.00 0.00 C ATOM 0 H VAL A 122 2.323 -2.466 2.108 1.00 0.00 H new ATOM 0 HA VAL A 122 1.483 -2.398 4.978 1.00 0.00 H new ATOM 0 HB VAL A 122 0.662 -3.857 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.138 -5.848 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.638 -5.740 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.703 -5.294 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.505 -3.801 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.630 -3.197 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.743 -2.193 3.765 1.00 0.00 H new ATOM 1850 N LYS A 123 3.329 -3.675 5.818 1.00 0.00 N ATOM 1851 CA LYS A 123 4.430 -4.464 6.433 1.00 0.00 C ATOM 1852 C LYS A 123 3.838 -5.756 6.983 1.00 0.00 C ATOM 1853 O LYS A 123 3.046 -5.734 7.895 1.00 0.00 O ATOM 1854 CB LYS A 123 5.025 -3.638 7.584 1.00 0.00 C ATOM 1855 CG LYS A 123 6.553 -3.799 7.684 1.00 0.00 C ATOM 1856 CD LYS A 123 7.217 -3.660 6.310 1.00 0.00 C ATOM 1857 CE LYS A 123 8.682 -3.246 6.475 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.328 -4.108 7.504 1.00 0.00 N ATOM 0 H LYS A 123 2.880 -3.014 6.452 1.00 0.00 H new ATOM 0 HA LYS A 123 5.206 -4.695 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.781 -2.586 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.566 -3.944 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.957 -3.048 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.791 -4.774 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.156 -4.605 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.686 -2.918 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.207 -3.340 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.744 -2.199 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.361 -4.062 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.063 -3.774 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.011 -5.091 7.382 1.00 0.00 H new ATOM 1872 N ARG A 124 4.189 -6.886 6.440 1.00 0.00 N ATOM 1873 CA ARG A 124 3.595 -8.144 6.973 1.00 0.00 C ATOM 1874 C ARG A 124 4.234 -8.463 8.324 1.00 0.00 C ATOM 1875 O ARG A 124 5.432 -8.628 8.444 1.00 0.00 O ATOM 1876 CB ARG A 124 3.811 -9.296 5.979 1.00 0.00 C ATOM 1877 CG ARG A 124 3.397 -10.625 6.624 1.00 0.00 C ATOM 1878 CD ARG A 124 2.433 -11.372 5.700 1.00 0.00 C ATOM 1879 NE ARG A 124 1.565 -12.273 6.514 1.00 0.00 N ATOM 1880 CZ ARG A 124 2.105 -13.144 7.325 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.820 -14.125 6.846 1.00 0.00 N ATOM 1882 NH2 ARG A 124 1.929 -13.033 8.613 1.00 0.00 N ATOM 0 H ARG A 124 4.846 -6.995 5.668 1.00 0.00 H new ATOM 0 HA ARG A 124 2.521 -8.016 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.227 -9.123 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.858 -9.338 5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.279 -11.237 6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.922 -10.440 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.820 -10.662 5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.992 -11.953 4.966 1.00 0.00 H new ATOM 0 HE ARG A 124 0.550 -12.209 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 124 2.957 -14.212 5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.242 -14.805 7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.370 -12.266 8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.351 -13.713 9.246 1.00 0.00 H new ATOM 1896 N VAL A 125 3.424 -8.538 9.341 1.00 0.00 N ATOM 1897 CA VAL A 125 3.935 -8.833 10.703 1.00 0.00 C ATOM 1898 C VAL A 125 4.183 -10.338 10.836 1.00 0.00 C ATOM 1899 O VAL A 125 5.318 -10.749 10.662 1.00 0.00 O ATOM 1900 CB VAL A 125 2.889 -8.392 11.730 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.531 -8.305 13.101 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.344 -7.012 11.368 1.00 0.00 C ATOM 1903 OXT VAL A 125 3.233 -11.052 11.106 1.00 0.00 O ATOM 0 H VAL A 125 2.414 -8.405 9.283 1.00 0.00 H new ATOM 0 HA VAL A 125 4.869 -8.298 10.875 1.00 0.00 H new ATOM 0 HB VAL A 125 2.078 -9.120 11.734 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.786 -7.991 13.832 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.925 -9.282 13.381 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.344 -7.579 13.077 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.601 -6.709 12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.160 -6.290 11.358 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.881 -7.051 10.382 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.597 -5.784 3.735 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.241 -6.806 3.614 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.260 -5.533 3.086 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -6.759 -6.473 2.340 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.420 -6.308 1.681 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -4.912 -7.365 0.909 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -3.654 -7.240 0.301 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -2.908 -6.051 0.470 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.420 -4.994 1.243 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -4.682 -5.121 1.848 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -1.803 -5.943 -0.036 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.088 -4.304 2.444 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -2.840 -4.080 1.372 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.253 -8.057 -0.300 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.320 -7.395 2.191 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -5.493 -8.279 0.783 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -6.730 -4.593 3.237 1.00 0.00 H new