USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.000276 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= -0.538 (180deg=-0.67) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -2:sc= 0.961 USER MOD Single : A 43 MET CE :methyl -144:sc= -4.29! (180deg=-6.37!) USER MOD Single : A 45 MET CE :methyl 149:sc= -1.89 (180deg=-4.61!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.56! C(o=-2.6!,f=-8.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -108:sc= 0.349 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.07 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 0.0695 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= 0.264 (180deg=0.00978) USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 74 ASN : amide:sc=-0.00264 X(o=-0.0026,f=-0.21) USER MOD Single : A 76 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 77 THR OG1 : rot -104:sc= 0.711 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.291 19.740 -11.106 1.00 0.00 N ATOM 2 CA GLY A 1 11.626 20.715 -10.083 1.00 0.00 C ATOM 3 C GLY A 1 13.116 21.062 -10.124 1.00 0.00 C ATOM 4 O GLY A 1 13.589 21.671 -11.082 1.00 0.00 O ATOM 0 H1 GLY A 1 10.275 19.521 -11.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.517 20.129 -12.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.840 18.871 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.034 21.619 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.368 20.320 -9.100 1.00 0.00 H new ATOM 8 N SER A 2 13.814 20.660 -9.071 1.00 0.00 N ATOM 9 CA SER A 2 15.240 20.921 -8.975 1.00 0.00 C ATOM 10 C SER A 2 16.023 19.620 -9.157 1.00 0.00 C ATOM 11 O SER A 2 16.854 19.512 -10.058 1.00 0.00 O ATOM 12 CB SER A 2 15.591 21.569 -7.634 1.00 0.00 C ATOM 13 OG SER A 2 16.320 22.782 -7.803 1.00 0.00 O ATOM 0 H SER A 2 13.418 20.156 -8.278 1.00 0.00 H new ATOM 0 HA SER A 2 15.515 21.617 -9.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.675 21.770 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.180 20.872 -7.037 1.00 0.00 H new ATOM 0 HG SER A 2 16.386 23.247 -6.943 1.00 0.00 H new ATOM 19 N SER A 3 15.732 18.664 -8.287 1.00 0.00 N ATOM 20 CA SER A 3 16.399 17.374 -8.341 1.00 0.00 C ATOM 21 C SER A 3 17.819 17.496 -7.786 1.00 0.00 C ATOM 22 O SER A 3 18.172 16.822 -6.819 1.00 0.00 O ATOM 23 CB SER A 3 16.432 16.831 -9.770 1.00 0.00 C ATOM 24 OG SER A 3 16.645 15.422 -9.801 1.00 0.00 O ATOM 0 H SER A 3 15.043 18.757 -7.541 1.00 0.00 H new ATOM 0 HA SER A 3 15.835 16.671 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.492 17.067 -10.269 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.224 17.330 -10.329 1.00 0.00 H new ATOM 0 HG SER A 3 16.658 15.113 -10.731 1.00 0.00 H new ATOM 30 N GLY A 4 18.596 18.361 -8.422 1.00 0.00 N ATOM 31 CA GLY A 4 19.971 18.580 -8.003 1.00 0.00 C ATOM 32 C GLY A 4 20.026 19.245 -6.627 1.00 0.00 C ATOM 33 O GLY A 4 20.244 18.576 -5.618 1.00 0.00 O ATOM 0 H GLY A 4 18.300 18.918 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.501 17.628 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.482 19.206 -8.734 1.00 0.00 H new ATOM 37 N SER A 5 19.824 20.555 -6.630 1.00 0.00 N ATOM 38 CA SER A 5 19.847 21.318 -5.394 1.00 0.00 C ATOM 39 C SER A 5 19.110 20.554 -4.292 1.00 0.00 C ATOM 40 O SER A 5 18.000 20.069 -4.505 1.00 0.00 O ATOM 41 CB SER A 5 19.224 22.702 -5.589 1.00 0.00 C ATOM 42 OG SER A 5 20.211 23.707 -5.804 1.00 0.00 O ATOM 0 H SER A 5 19.644 21.107 -7.469 1.00 0.00 H new ATOM 0 HA SER A 5 20.887 21.456 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.542 22.676 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.630 22.959 -4.712 1.00 0.00 H new ATOM 0 HG SER A 5 19.773 24.575 -5.926 1.00 0.00 H new ATOM 48 N SER A 6 19.757 20.471 -3.139 1.00 0.00 N ATOM 49 CA SER A 6 19.176 19.774 -2.004 1.00 0.00 C ATOM 50 C SER A 6 18.027 20.596 -1.417 1.00 0.00 C ATOM 51 O SER A 6 18.147 21.809 -1.254 1.00 0.00 O ATOM 52 CB SER A 6 20.230 19.495 -0.931 1.00 0.00 C ATOM 53 OG SER A 6 20.201 18.139 -0.493 1.00 0.00 O ATOM 0 H SER A 6 20.678 20.875 -2.966 1.00 0.00 H new ATOM 0 HA SER A 6 18.789 18.817 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.219 19.727 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.064 20.155 -0.079 1.00 0.00 H new ATOM 0 HG SER A 6 20.890 18.001 0.190 1.00 0.00 H new ATOM 59 N GLY A 7 16.939 19.902 -1.116 1.00 0.00 N ATOM 60 CA GLY A 7 15.769 20.553 -0.551 1.00 0.00 C ATOM 61 C GLY A 7 14.587 19.584 -0.472 1.00 0.00 C ATOM 62 O GLY A 7 14.439 18.710 -1.324 1.00 0.00 O ATOM 0 H GLY A 7 16.843 18.896 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.003 20.929 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.498 21.414 -1.161 1.00 0.00 H new ATOM 66 N VAL A 8 13.777 19.773 0.559 1.00 0.00 N ATOM 67 CA VAL A 8 12.613 18.926 0.761 1.00 0.00 C ATOM 68 C VAL A 8 11.344 19.741 0.501 1.00 0.00 C ATOM 69 O VAL A 8 10.712 20.227 1.438 1.00 0.00 O ATOM 70 CB VAL A 8 12.652 18.309 2.160 1.00 0.00 C ATOM 71 CG1 VAL A 8 11.338 17.592 2.479 1.00 0.00 C ATOM 72 CG2 VAL A 8 13.843 17.361 2.309 1.00 0.00 C ATOM 0 H VAL A 8 13.903 20.500 1.263 1.00 0.00 H new ATOM 0 HA VAL A 8 12.616 18.096 0.055 1.00 0.00 H new ATOM 0 HB VAL A 8 12.776 19.118 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.392 17.162 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.514 18.305 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.171 16.798 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.847 16.936 3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.763 16.558 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.769 17.912 2.145 1.00 0.00 H new ATOM 82 N SER A 9 11.010 19.865 -0.775 1.00 0.00 N ATOM 83 CA SER A 9 9.828 20.612 -1.169 1.00 0.00 C ATOM 84 C SER A 9 9.330 20.123 -2.531 1.00 0.00 C ATOM 85 O SER A 9 9.629 20.729 -3.559 1.00 0.00 O ATOM 86 CB SER A 9 10.117 22.114 -1.218 1.00 0.00 C ATOM 87 OG SER A 9 8.954 22.871 -1.543 1.00 0.00 O ATOM 0 H SER A 9 11.537 19.461 -1.549 1.00 0.00 H new ATOM 0 HA SER A 9 9.052 20.443 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.504 22.440 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.895 22.310 -1.956 1.00 0.00 H new ATOM 0 HG SER A 9 9.179 23.825 -1.563 1.00 0.00 H new ATOM 93 N SER A 10 8.579 19.032 -2.494 1.00 0.00 N ATOM 94 CA SER A 10 8.036 18.455 -3.712 1.00 0.00 C ATOM 95 C SER A 10 6.982 17.402 -3.367 1.00 0.00 C ATOM 96 O SER A 10 5.828 17.517 -3.777 1.00 0.00 O ATOM 97 CB SER A 10 9.143 17.838 -4.569 1.00 0.00 C ATOM 98 OG SER A 10 9.114 18.323 -5.909 1.00 0.00 O ATOM 0 H SER A 10 8.334 18.532 -1.639 1.00 0.00 H new ATOM 0 HA SER A 10 7.568 19.252 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.113 18.061 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.036 16.753 -4.574 1.00 0.00 H new ATOM 0 HG SER A 10 9.837 17.907 -6.423 1.00 0.00 H new ATOM 104 N GLN A 11 7.416 16.399 -2.618 1.00 0.00 N ATOM 105 CA GLN A 11 6.523 15.326 -2.213 1.00 0.00 C ATOM 106 C GLN A 11 5.823 14.729 -3.436 1.00 0.00 C ATOM 107 O GLN A 11 4.741 15.175 -3.815 1.00 0.00 O ATOM 108 CB GLN A 11 5.504 15.819 -1.184 1.00 0.00 C ATOM 109 CG GLN A 11 5.824 15.273 0.209 1.00 0.00 C ATOM 110 CD GLN A 11 4.926 15.914 1.269 1.00 0.00 C ATOM 111 OE1 GLN A 11 3.815 15.480 1.524 1.00 0.00 O ATOM 112 NE2 GLN A 11 5.468 16.970 1.870 1.00 0.00 N ATOM 0 H GLN A 11 8.374 16.307 -2.281 1.00 0.00 H new ATOM 0 HA GLN A 11 7.117 14.544 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.504 16.909 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.503 15.506 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.690 14.191 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.870 15.466 0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.404 17.281 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.948 17.468 2.592 1.00 0.00 H new ATOM 121 N GLU A 12 6.469 13.730 -4.019 1.00 0.00 N ATOM 122 CA GLU A 12 5.922 13.068 -5.191 1.00 0.00 C ATOM 123 C GLU A 12 5.395 11.681 -4.819 1.00 0.00 C ATOM 124 O GLU A 12 4.212 11.394 -4.995 1.00 0.00 O ATOM 125 CB GLU A 12 6.965 12.977 -6.306 1.00 0.00 C ATOM 126 CG GLU A 12 6.411 13.530 -7.621 1.00 0.00 C ATOM 127 CD GLU A 12 5.242 12.680 -8.124 1.00 0.00 C ATOM 128 OE1 GLU A 12 4.137 12.849 -7.565 1.00 0.00 O ATOM 129 OE2 GLU A 12 5.480 11.882 -9.056 1.00 0.00 O ATOM 0 H GLU A 12 7.366 13.363 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 12 5.089 13.664 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.857 13.534 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.267 11.939 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.082 14.559 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.200 13.550 -8.372 1.00 0.00 H new ATOM 136 N THR A 13 6.299 10.856 -4.310 1.00 0.00 N ATOM 137 CA THR A 13 5.940 9.506 -3.911 1.00 0.00 C ATOM 138 C THR A 13 5.796 9.419 -2.391 1.00 0.00 C ATOM 139 O THR A 13 5.148 8.509 -1.876 1.00 0.00 O ATOM 140 CB THR A 13 6.992 8.550 -4.477 1.00 0.00 C ATOM 141 OG1 THR A 13 6.435 7.256 -4.267 1.00 0.00 O ATOM 142 CG2 THR A 13 8.279 8.540 -3.650 1.00 0.00 C ATOM 0 H THR A 13 7.279 11.097 -4.165 1.00 0.00 H new ATOM 0 HA THR A 13 4.969 9.220 -4.315 1.00 0.00 H new ATOM 0 HB THR A 13 7.223 8.832 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.052 6.575 -4.607 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.992 7.846 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.709 9.541 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.054 8.226 -2.631 1.00 0.00 H new ATOM 150 N GLN A 14 6.410 10.379 -1.714 1.00 0.00 N ATOM 151 CA GLN A 14 6.358 10.423 -0.263 1.00 0.00 C ATOM 152 C GLN A 14 5.093 11.148 0.201 1.00 0.00 C ATOM 153 O GLN A 14 4.762 12.216 -0.312 1.00 0.00 O ATOM 154 CB GLN A 14 7.611 11.085 0.311 1.00 0.00 C ATOM 155 CG GLN A 14 7.573 11.101 1.840 1.00 0.00 C ATOM 156 CD GLN A 14 8.936 11.483 2.420 1.00 0.00 C ATOM 157 OE1 GLN A 14 9.896 11.728 1.707 1.00 0.00 O ATOM 158 NE2 GLN A 14 8.968 11.521 3.749 1.00 0.00 N ATOM 0 H GLN A 14 6.946 11.132 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 14 6.325 9.400 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.497 10.549 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.692 12.105 -0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.818 11.809 2.181 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.279 10.119 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.128 11.305 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.832 11.766 4.232 1.00 0.00 H new ATOM 167 N GLY A 15 4.420 10.539 1.167 1.00 0.00 N ATOM 168 CA GLY A 15 3.200 11.113 1.706 1.00 0.00 C ATOM 169 C GLY A 15 2.479 10.115 2.614 1.00 0.00 C ATOM 170 O GLY A 15 2.465 10.277 3.833 1.00 0.00 O ATOM 0 H GLY A 15 4.697 9.653 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.436 12.016 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.541 11.409 0.889 1.00 0.00 H new ATOM 174 N GLY A 16 1.896 9.105 1.985 1.00 0.00 N ATOM 175 CA GLY A 16 1.175 8.081 2.721 1.00 0.00 C ATOM 176 C GLY A 16 2.118 6.964 3.173 1.00 0.00 C ATOM 177 O GLY A 16 3.333 7.149 3.209 1.00 0.00 O ATOM 0 H GLY A 16 1.908 8.974 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.690 8.526 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.386 7.665 2.094 1.00 0.00 H new ATOM 181 N PRO A 17 1.506 5.798 3.514 1.00 0.00 N ATOM 182 CA PRO A 17 2.277 4.651 3.962 1.00 0.00 C ATOM 183 C PRO A 17 2.986 3.974 2.787 1.00 0.00 C ATOM 184 O PRO A 17 2.557 4.104 1.641 1.00 0.00 O ATOM 185 CB PRO A 17 1.270 3.744 4.650 1.00 0.00 C ATOM 186 CG PRO A 17 -0.097 4.191 4.158 1.00 0.00 C ATOM 187 CD PRO A 17 0.068 5.543 3.484 1.00 0.00 C ATOM 0 HA PRO A 17 3.079 4.925 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.452 2.699 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.343 3.831 5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.507 3.463 3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.797 4.263 4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.310 5.525 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.483 6.320 4.014 1.00 0.00 H new ATOM 195 N LEU A 18 4.058 3.268 3.112 1.00 0.00 N ATOM 196 CA LEU A 18 4.830 2.570 2.098 1.00 0.00 C ATOM 197 C LEU A 18 4.824 1.070 2.400 1.00 0.00 C ATOM 198 O LEU A 18 5.120 0.658 3.520 1.00 0.00 O ATOM 199 CB LEU A 18 6.234 3.170 1.987 1.00 0.00 C ATOM 200 CG LEU A 18 6.305 4.634 1.550 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.745 5.150 1.594 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.669 4.827 0.172 1.00 0.00 C ATOM 0 H LEU A 18 4.411 3.164 4.063 1.00 0.00 H new ATOM 0 HA LEU A 18 4.374 2.699 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.725 3.076 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.808 2.572 1.279 1.00 0.00 H new ATOM 0 HG LEU A 18 5.727 5.230 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.767 6.193 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.129 5.070 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.365 4.555 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.733 5.877 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.198 4.218 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.623 4.524 0.209 1.00 0.00 H new ATOM 214 N ALA A 19 4.484 0.296 1.380 1.00 0.00 N ATOM 215 CA ALA A 19 4.435 -1.150 1.522 1.00 0.00 C ATOM 216 C ALA A 19 5.747 -1.642 2.138 1.00 0.00 C ATOM 217 O ALA A 19 6.805 -1.063 1.898 1.00 0.00 O ATOM 218 CB ALA A 19 4.156 -1.788 0.160 1.00 0.00 C ATOM 0 H ALA A 19 4.240 0.642 0.452 1.00 0.00 H new ATOM 0 HA ALA A 19 3.626 -1.443 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.119 -2.872 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.200 -1.428 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.949 -1.519 -0.537 1.00 0.00 H new ATOM 224 N PRO A 20 5.630 -2.732 2.942 1.00 0.00 N ATOM 225 CA PRO A 20 6.794 -3.309 3.595 1.00 0.00 C ATOM 226 C PRO A 20 7.650 -4.092 2.597 1.00 0.00 C ATOM 227 O PRO A 20 8.862 -3.896 2.526 1.00 0.00 O ATOM 228 CB PRO A 20 6.231 -4.179 4.706 1.00 0.00 C ATOM 229 CG PRO A 20 4.775 -4.426 4.345 1.00 0.00 C ATOM 230 CD PRO A 20 4.393 -3.443 3.250 1.00 0.00 C ATOM 0 HA PRO A 20 7.466 -2.553 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.779 -5.118 4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.315 -3.681 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.635 -5.452 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.137 -4.291 5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.004 -3.959 2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.616 -2.757 3.587 1.00 0.00 H new ATOM 238 N MET A 21 6.985 -4.963 1.852 1.00 0.00 N ATOM 239 CA MET A 21 7.670 -5.776 0.862 1.00 0.00 C ATOM 240 C MET A 21 6.771 -6.042 -0.347 1.00 0.00 C ATOM 241 O MET A 21 5.568 -5.790 -0.297 1.00 0.00 O ATOM 242 CB MET A 21 8.085 -7.107 1.493 1.00 0.00 C ATOM 243 CG MET A 21 6.960 -7.677 2.359 1.00 0.00 C ATOM 244 SD MET A 21 7.560 -9.071 3.300 1.00 0.00 S ATOM 245 CE MET A 21 7.657 -8.331 4.921 1.00 0.00 C ATOM 0 H MET A 21 5.980 -5.123 1.914 1.00 0.00 H new ATOM 0 HA MET A 21 8.552 -5.234 0.522 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.343 -7.820 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.979 -6.963 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.583 -6.908 3.033 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.125 -7.985 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.017 -9.069 5.637 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.344 -7.486 4.894 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.668 -7.985 5.223 1.00 0.00 H new ATOM 255 N THR A 22 7.388 -6.548 -1.404 1.00 0.00 N ATOM 256 CA THR A 22 6.658 -6.851 -2.623 1.00 0.00 C ATOM 257 C THR A 22 5.554 -7.873 -2.344 1.00 0.00 C ATOM 258 O THR A 22 5.836 -9.043 -2.093 1.00 0.00 O ATOM 259 CB THR A 22 7.667 -7.318 -3.675 1.00 0.00 C ATOM 260 OG1 THR A 22 8.678 -6.314 -3.656 1.00 0.00 O ATOM 261 CG2 THR A 22 7.104 -7.253 -5.096 1.00 0.00 C ATOM 0 H THR A 22 8.386 -6.756 -1.442 1.00 0.00 H new ATOM 0 HA THR A 22 6.149 -5.968 -3.009 1.00 0.00 H new ATOM 0 HB THR A 22 7.976 -8.340 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.374 -6.538 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.860 -7.595 -5.803 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.224 -7.892 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.826 -6.225 -5.331 1.00 0.00 H new ATOM 269 N GLY A 23 4.320 -7.393 -2.398 1.00 0.00 N ATOM 270 CA GLY A 23 3.173 -8.250 -2.153 1.00 0.00 C ATOM 271 C GLY A 23 1.964 -7.793 -2.972 1.00 0.00 C ATOM 272 O GLY A 23 2.046 -6.817 -3.715 1.00 0.00 O ATOM 0 H GLY A 23 4.090 -6.422 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.422 -9.280 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.924 -8.237 -1.092 1.00 0.00 H new ATOM 276 N THR A 24 0.869 -8.522 -2.808 1.00 0.00 N ATOM 277 CA THR A 24 -0.356 -8.204 -3.523 1.00 0.00 C ATOM 278 C THR A 24 -1.463 -7.821 -2.539 1.00 0.00 C ATOM 279 O THR A 24 -1.678 -8.509 -1.542 1.00 0.00 O ATOM 280 CB THR A 24 -0.713 -9.402 -4.404 1.00 0.00 C ATOM 281 OG1 THR A 24 0.347 -9.463 -5.354 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.961 -9.152 -5.253 1.00 0.00 C ATOM 0 H THR A 24 0.805 -9.331 -2.191 1.00 0.00 H new ATOM 0 HA THR A 24 -0.224 -7.336 -4.169 1.00 0.00 H new ATOM 0 HB THR A 24 -0.870 -10.280 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.196 -10.214 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.171 -10.033 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.810 -8.950 -4.601 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.792 -8.295 -5.905 1.00 0.00 H new ATOM 290 N ILE A 25 -2.137 -6.724 -2.853 1.00 0.00 N ATOM 291 CA ILE A 25 -3.217 -6.241 -2.010 1.00 0.00 C ATOM 292 C ILE A 25 -4.387 -7.225 -2.073 1.00 0.00 C ATOM 293 O ILE A 25 -5.120 -7.260 -3.060 1.00 0.00 O ATOM 294 CB ILE A 25 -3.596 -4.809 -2.392 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.360 -3.908 -2.436 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.673 -4.259 -1.455 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.802 -3.673 -1.031 1.00 0.00 C ATOM 0 H ILE A 25 -1.956 -6.156 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.896 -6.194 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.020 -4.824 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.595 -4.365 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.618 -2.953 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.924 -3.240 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.563 -4.885 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.300 -4.260 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.924 -3.030 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.562 -3.194 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.522 -4.628 -0.586 1.00 0.00 H new ATOM 309 N GLU A 26 -4.525 -8.001 -1.008 1.00 0.00 N ATOM 310 CA GLU A 26 -5.593 -8.983 -0.931 1.00 0.00 C ATOM 311 C GLU A 26 -6.923 -8.296 -0.615 1.00 0.00 C ATOM 312 O GLU A 26 -7.918 -8.515 -1.304 1.00 0.00 O ATOM 313 CB GLU A 26 -5.273 -10.061 0.107 1.00 0.00 C ATOM 314 CG GLU A 26 -6.331 -11.166 0.094 1.00 0.00 C ATOM 315 CD GLU A 26 -6.558 -11.691 -1.325 1.00 0.00 C ATOM 316 OE1 GLU A 26 -5.551 -12.084 -1.953 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.734 -11.687 -1.750 1.00 0.00 O ATOM 0 H GLU A 26 -3.915 -7.970 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.680 -9.473 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.292 -10.489 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.223 -9.612 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.016 -11.984 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.268 -10.782 0.498 1.00 0.00 H new ATOM 324 N LYS A 27 -6.898 -7.478 0.427 1.00 0.00 N ATOM 325 CA LYS A 27 -8.089 -6.758 0.843 1.00 0.00 C ATOM 326 C LYS A 27 -7.805 -5.255 0.819 1.00 0.00 C ATOM 327 O LYS A 27 -6.648 -4.838 0.808 1.00 0.00 O ATOM 328 CB LYS A 27 -8.579 -7.270 2.199 1.00 0.00 C ATOM 329 CG LYS A 27 -9.742 -8.249 2.027 1.00 0.00 C ATOM 330 CD LYS A 27 -11.021 -7.516 1.616 1.00 0.00 C ATOM 331 CE LYS A 27 -11.516 -8.000 0.252 1.00 0.00 C ATOM 332 NZ LYS A 27 -12.630 -7.150 -0.226 1.00 0.00 N ATOM 0 H LYS A 27 -6.071 -7.298 0.996 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.907 -6.940 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.760 -7.761 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.895 -6.429 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.487 -8.993 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.911 -8.786 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.795 -7.679 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.834 -6.443 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.698 -7.976 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.847 -9.036 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.864 -7.404 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.463 -7.298 0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.346 -6.150 -0.186 1.00 0.00 H new ATOM 346 N VAL A 28 -8.882 -4.482 0.811 1.00 0.00 N ATOM 347 CA VAL A 28 -8.763 -3.034 0.789 1.00 0.00 C ATOM 348 C VAL A 28 -9.886 -2.421 1.628 1.00 0.00 C ATOM 349 O VAL A 28 -11.005 -2.254 1.146 1.00 0.00 O ATOM 350 CB VAL A 28 -8.754 -2.532 -0.656 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.953 -1.016 -0.711 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.466 -2.943 -1.372 1.00 0.00 C ATOM 0 H VAL A 28 -9.840 -4.831 0.819 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.818 -2.722 1.234 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.590 -2.998 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.943 -0.685 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.910 -0.758 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.148 -0.523 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.486 -2.573 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.608 -2.519 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.385 -4.030 -1.380 1.00 0.00 H new ATOM 362 N PHE A 29 -9.548 -2.104 2.869 1.00 0.00 N ATOM 363 CA PHE A 29 -10.514 -1.513 3.780 1.00 0.00 C ATOM 364 C PHE A 29 -10.333 0.004 3.864 1.00 0.00 C ATOM 365 O PHE A 29 -10.230 0.560 4.956 1.00 0.00 O ATOM 366 CB PHE A 29 -10.259 -2.123 5.160 1.00 0.00 C ATOM 367 CG PHE A 29 -10.218 -3.652 5.166 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.279 -4.364 4.700 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.119 -4.301 5.638 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.240 -5.783 4.706 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.081 -5.720 5.644 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.142 -6.431 5.178 1.00 0.00 C ATOM 0 H PHE A 29 -8.619 -2.245 3.265 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.526 -1.712 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.313 -1.743 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.039 -1.788 5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.152 -3.850 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.276 -3.737 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.083 -6.348 4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.209 -6.235 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.113 -7.511 5.183 1.00 0.00 H new ATOM 382 N VAL A 30 -10.299 0.629 2.697 1.00 0.00 N ATOM 383 CA VAL A 30 -10.131 2.071 2.625 1.00 0.00 C ATOM 384 C VAL A 30 -10.776 2.591 1.339 1.00 0.00 C ATOM 385 O VAL A 30 -11.433 1.839 0.621 1.00 0.00 O ATOM 386 CB VAL A 30 -8.649 2.432 2.739 1.00 0.00 C ATOM 387 CG1 VAL A 30 -8.104 2.083 4.126 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.832 1.747 1.641 1.00 0.00 C ATOM 0 H VAL A 30 -10.385 0.164 1.793 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.635 2.556 3.461 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.556 3.510 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.049 2.350 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.658 2.637 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.217 1.013 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.782 2.020 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.936 0.666 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.195 2.066 0.664 1.00 0.00 H new ATOM 398 N LYS A 31 -10.566 3.875 1.086 1.00 0.00 N ATOM 399 CA LYS A 31 -11.118 4.504 -0.101 1.00 0.00 C ATOM 400 C LYS A 31 -10.679 5.969 -0.147 1.00 0.00 C ATOM 401 O LYS A 31 -9.823 6.389 0.630 1.00 0.00 O ATOM 402 CB LYS A 31 -12.636 4.316 -0.150 1.00 0.00 C ATOM 403 CG LYS A 31 -13.278 4.688 1.188 1.00 0.00 C ATOM 404 CD LYS A 31 -14.215 5.888 1.031 1.00 0.00 C ATOM 405 CE LYS A 31 -15.544 5.466 0.401 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.014 6.494 -0.554 1.00 0.00 N ATOM 0 H LYS A 31 -10.021 4.496 1.683 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.731 4.026 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.057 4.933 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.870 3.280 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.835 3.836 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.501 4.921 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.398 6.341 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.739 6.647 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.423 4.512 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.291 5.316 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.917 6.192 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.148 7.396 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.307 6.617 -1.307 1.00 0.00 H new ATOM 420 N ALA A 32 -11.284 6.707 -1.066 1.00 0.00 N ATOM 421 CA ALA A 32 -10.966 8.115 -1.224 1.00 0.00 C ATOM 422 C ALA A 32 -11.979 8.954 -0.442 1.00 0.00 C ATOM 423 O ALA A 32 -13.158 8.610 -0.379 1.00 0.00 O ATOM 424 CB ALA A 32 -10.942 8.470 -2.713 1.00 0.00 C ATOM 0 H ALA A 32 -11.993 6.355 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.977 8.332 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.703 9.527 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.186 7.869 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.919 8.268 -3.151 1.00 0.00 H new ATOM 430 N GLY A 33 -11.482 10.037 0.136 1.00 0.00 N ATOM 431 CA GLY A 33 -12.328 10.927 0.912 1.00 0.00 C ATOM 432 C GLY A 33 -12.884 10.216 2.147 1.00 0.00 C ATOM 433 O GLY A 33 -13.950 10.574 2.647 1.00 0.00 O ATOM 0 H GLY A 33 -10.503 10.319 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.756 11.803 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.151 11.285 0.293 1.00 0.00 H new ATOM 437 N ASP A 34 -12.137 9.223 2.605 1.00 0.00 N ATOM 438 CA ASP A 34 -12.541 8.458 3.773 1.00 0.00 C ATOM 439 C ASP A 34 -11.768 8.957 4.996 1.00 0.00 C ATOM 440 O ASP A 34 -10.865 9.782 4.870 1.00 0.00 O ATOM 441 CB ASP A 34 -12.232 6.971 3.592 1.00 0.00 C ATOM 442 CG ASP A 34 -13.309 6.018 4.114 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.404 6.525 4.442 1.00 0.00 O ATOM 444 OD2 ASP A 34 -13.014 4.805 4.172 1.00 0.00 O ATOM 0 H ASP A 34 -11.253 8.930 2.188 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.615 8.589 3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.077 6.774 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.293 6.746 4.098 1.00 0.00 H new ATOM 449 N LYS A 35 -12.151 8.434 6.151 1.00 0.00 N ATOM 450 CA LYS A 35 -11.505 8.815 7.396 1.00 0.00 C ATOM 451 C LYS A 35 -11.017 7.557 8.118 1.00 0.00 C ATOM 452 O LYS A 35 -11.706 6.539 8.132 1.00 0.00 O ATOM 453 CB LYS A 35 -12.439 9.685 8.239 1.00 0.00 C ATOM 454 CG LYS A 35 -12.846 10.949 7.479 1.00 0.00 C ATOM 455 CD LYS A 35 -14.290 10.850 6.983 1.00 0.00 C ATOM 456 CE LYS A 35 -14.669 12.076 6.151 1.00 0.00 C ATOM 457 NZ LYS A 35 -15.976 11.868 5.488 1.00 0.00 N ATOM 0 H LYS A 35 -12.901 7.749 6.251 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.627 9.430 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.329 9.115 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.944 9.960 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.740 11.818 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.176 11.100 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.411 9.948 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.965 10.761 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.715 12.957 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.901 12.266 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.219 12.710 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.920 11.039 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.709 11.709 6.208 1.00 0.00 H new ATOM 471 N VAL A 36 -9.832 7.670 8.700 1.00 0.00 N ATOM 472 CA VAL A 36 -9.244 6.555 9.422 1.00 0.00 C ATOM 473 C VAL A 36 -8.605 7.070 10.714 1.00 0.00 C ATOM 474 O VAL A 36 -8.601 8.273 10.972 1.00 0.00 O ATOM 475 CB VAL A 36 -8.256 5.811 8.522 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.991 5.018 7.439 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.244 6.777 7.902 1.00 0.00 C ATOM 0 H VAL A 36 -9.263 8.517 8.686 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.012 5.835 9.703 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.707 5.102 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.266 4.498 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.653 4.290 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.578 5.700 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.553 6.222 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.770 7.520 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.686 7.277 8.694 1.00 0.00 H new ATOM 487 N LYS A 37 -8.080 6.134 11.490 1.00 0.00 N ATOM 488 CA LYS A 37 -7.439 6.478 12.748 1.00 0.00 C ATOM 489 C LYS A 37 -6.040 5.859 12.789 1.00 0.00 C ATOM 490 O LYS A 37 -5.868 4.683 12.473 1.00 0.00 O ATOM 491 CB LYS A 37 -8.325 6.074 13.929 1.00 0.00 C ATOM 492 CG LYS A 37 -9.563 6.969 14.016 1.00 0.00 C ATOM 493 CD LYS A 37 -9.728 7.540 15.426 1.00 0.00 C ATOM 494 CE LYS A 37 -11.194 7.507 15.862 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.814 8.841 15.695 1.00 0.00 N ATOM 0 H LYS A 37 -8.085 5.138 11.272 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.313 7.558 12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.631 5.034 13.820 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.756 6.143 14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.478 7.784 13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.450 6.396 13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.123 6.966 16.128 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.360 8.566 15.452 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.739 6.770 15.272 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.263 7.195 16.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.809 8.801 15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.304 9.536 16.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.765 9.124 14.695 1.00 0.00 H new ATOM 509 N ALA A 38 -5.077 6.679 13.182 1.00 0.00 N ATOM 510 CA ALA A 38 -3.698 6.228 13.268 1.00 0.00 C ATOM 511 C ALA A 38 -3.666 4.813 13.850 1.00 0.00 C ATOM 512 O ALA A 38 -4.059 4.600 14.996 1.00 0.00 O ATOM 513 CB ALA A 38 -2.887 7.221 14.103 1.00 0.00 C ATOM 0 H ALA A 38 -5.224 7.654 13.445 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.244 6.188 12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.853 6.883 14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.919 8.204 13.632 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.311 7.285 15.105 1.00 0.00 H new ATOM 519 N GLY A 39 -3.192 3.883 13.034 1.00 0.00 N ATOM 520 CA GLY A 39 -3.103 2.494 13.454 1.00 0.00 C ATOM 521 C GLY A 39 -4.379 1.730 13.095 1.00 0.00 C ATOM 522 O GLY A 39 -4.925 1.003 13.923 1.00 0.00 O ATOM 0 H GLY A 39 -2.866 4.064 12.085 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.245 2.020 12.977 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.936 2.446 14.530 1.00 0.00 H new ATOM 526 N ASP A 40 -4.817 1.920 11.859 1.00 0.00 N ATOM 527 CA ASP A 40 -6.018 1.258 11.380 1.00 0.00 C ATOM 528 C ASP A 40 -5.663 0.370 10.186 1.00 0.00 C ATOM 529 O ASP A 40 -4.834 0.740 9.356 1.00 0.00 O ATOM 530 CB ASP A 40 -7.062 2.276 10.918 1.00 0.00 C ATOM 531 CG ASP A 40 -8.009 2.772 12.012 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.582 2.749 13.186 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.140 3.164 11.649 1.00 0.00 O ATOM 0 H ASP A 40 -4.361 2.523 11.175 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.428 0.669 12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.545 3.135 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.655 1.829 10.120 1.00 0.00 H new ATOM 538 N SER A 41 -6.309 -0.786 10.136 1.00 0.00 N ATOM 539 CA SER A 41 -6.072 -1.730 9.057 1.00 0.00 C ATOM 540 C SER A 41 -6.609 -1.166 7.741 1.00 0.00 C ATOM 541 O SER A 41 -7.792 -1.310 7.436 1.00 0.00 O ATOM 542 CB SER A 41 -6.720 -3.084 9.358 1.00 0.00 C ATOM 543 OG SER A 41 -8.125 -3.067 9.123 1.00 0.00 O ATOM 0 H SER A 41 -6.996 -1.090 10.825 1.00 0.00 H new ATOM 0 HA SER A 41 -4.997 -1.884 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.258 -3.853 8.739 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.529 -3.354 10.397 1.00 0.00 H new ATOM 0 HG SER A 41 -8.400 -2.168 8.846 1.00 0.00 H new ATOM 549 N LEU A 42 -5.714 -0.534 6.996 1.00 0.00 N ATOM 550 CA LEU A 42 -6.083 0.053 5.719 1.00 0.00 C ATOM 551 C LEU A 42 -6.380 -1.063 4.716 1.00 0.00 C ATOM 552 O LEU A 42 -7.533 -1.280 4.346 1.00 0.00 O ATOM 553 CB LEU A 42 -5.006 1.033 5.248 1.00 0.00 C ATOM 554 CG LEU A 42 -4.638 2.147 6.229 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.282 2.762 5.877 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.744 3.202 6.302 1.00 0.00 C ATOM 0 H LEU A 42 -4.734 -0.416 7.252 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.995 0.642 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.104 0.467 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.342 1.491 4.318 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.545 1.709 7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.044 3.551 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.512 1.992 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.323 3.181 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.457 3.982 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.894 3.641 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.671 2.735 6.636 1.00 0.00 H new ATOM 568 N MET A 43 -5.320 -1.743 4.304 1.00 0.00 N ATOM 569 CA MET A 43 -5.452 -2.832 3.351 1.00 0.00 C ATOM 570 C MET A 43 -4.649 -4.054 3.800 1.00 0.00 C ATOM 571 O MET A 43 -3.976 -4.015 4.829 1.00 0.00 O ATOM 572 CB MET A 43 -4.958 -2.371 1.978 1.00 0.00 C ATOM 573 CG MET A 43 -5.356 -0.919 1.711 1.00 0.00 C ATOM 574 SD MET A 43 -6.090 -0.775 0.090 1.00 0.00 S ATOM 575 CE MET A 43 -4.740 -0.014 -0.796 1.00 0.00 C ATOM 0 H MET A 43 -4.365 -1.561 4.613 1.00 0.00 H new ATOM 0 HA MET A 43 -6.503 -3.114 3.293 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.874 -2.470 1.926 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.375 -3.014 1.203 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.062 -0.581 2.470 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.480 -0.274 1.781 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.136 0.693 -1.525 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.095 0.513 -0.093 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.164 -0.782 -1.311 1.00 0.00 H new ATOM 585 N VAL A 44 -4.746 -5.110 3.006 1.00 0.00 N ATOM 586 CA VAL A 44 -4.037 -6.342 3.309 1.00 0.00 C ATOM 587 C VAL A 44 -3.220 -6.768 2.088 1.00 0.00 C ATOM 588 O VAL A 44 -3.712 -6.727 0.962 1.00 0.00 O ATOM 589 CB VAL A 44 -5.025 -7.415 3.771 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.310 -8.740 4.038 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.799 -6.951 5.006 1.00 0.00 C ATOM 0 H VAL A 44 -5.305 -5.138 2.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.338 -6.188 4.131 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.743 -7.578 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.035 -9.485 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.825 -9.082 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.560 -8.598 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.494 -7.732 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.101 -6.746 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.354 -6.044 4.768 1.00 0.00 H new ATOM 601 N MET A 45 -1.984 -7.167 2.352 1.00 0.00 N ATOM 602 CA MET A 45 -1.094 -7.600 1.289 1.00 0.00 C ATOM 603 C MET A 45 -0.766 -9.089 1.421 1.00 0.00 C ATOM 604 O MET A 45 -1.034 -9.698 2.455 1.00 0.00 O ATOM 605 CB MET A 45 0.200 -6.786 1.343 1.00 0.00 C ATOM 606 CG MET A 45 0.093 -5.529 0.478 1.00 0.00 C ATOM 607 SD MET A 45 1.599 -4.578 0.594 1.00 0.00 S ATOM 608 CE MET A 45 2.430 -5.130 -0.886 1.00 0.00 C ATOM 0 H MET A 45 -1.578 -7.199 3.287 1.00 0.00 H new ATOM 0 HA MET A 45 -1.595 -7.440 0.334 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.414 -6.505 2.374 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.034 -7.398 0.999 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.093 -5.806 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.754 -4.925 0.803 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.055 -4.326 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.053 -5.993 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.690 -5.409 -1.636 1.00 0.00 H new ATOM 618 N ILE A 46 -0.193 -9.633 0.357 1.00 0.00 N ATOM 619 CA ILE A 46 0.174 -11.038 0.341 1.00 0.00 C ATOM 620 C ILE A 46 1.571 -11.190 -0.266 1.00 0.00 C ATOM 621 O ILE A 46 1.751 -11.012 -1.469 1.00 0.00 O ATOM 622 CB ILE A 46 -0.899 -11.864 -0.373 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.251 -11.732 0.332 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.465 -13.324 -0.512 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.297 -12.595 1.594 1.00 0.00 C ATOM 0 H ILE A 46 0.026 -9.125 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 46 0.223 -11.430 1.357 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.021 -11.468 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.429 -10.689 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.050 -12.031 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.245 -13.888 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.458 -13.376 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.298 -13.750 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.268 -12.483 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.143 -13.640 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.512 -12.277 2.281 1.00 0.00 H new ATOM 637 N ALA A 47 2.523 -11.517 0.596 1.00 0.00 N ATOM 638 CA ALA A 47 3.897 -11.694 0.160 1.00 0.00 C ATOM 639 C ALA A 47 4.293 -13.163 0.321 1.00 0.00 C ATOM 640 O ALA A 47 4.438 -13.883 -0.666 1.00 0.00 O ATOM 641 CB ALA A 47 4.809 -10.755 0.952 1.00 0.00 C ATOM 0 H ALA A 47 2.369 -11.664 1.594 1.00 0.00 H new ATOM 0 HA ALA A 47 4.001 -11.438 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.840 -10.888 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.504 -9.722 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.733 -10.985 2.015 1.00 0.00 H new ATOM 647 N MET A 48 4.458 -13.565 1.573 1.00 0.00 N ATOM 648 CA MET A 48 4.834 -14.936 1.876 1.00 0.00 C ATOM 649 C MET A 48 3.632 -15.736 2.381 1.00 0.00 C ATOM 650 O MET A 48 3.595 -16.142 3.542 1.00 0.00 O ATOM 651 CB MET A 48 5.934 -14.940 2.939 1.00 0.00 C ATOM 652 CG MET A 48 7.283 -14.546 2.334 1.00 0.00 C ATOM 653 SD MET A 48 8.510 -15.783 2.723 1.00 0.00 S ATOM 654 CE MET A 48 9.665 -15.503 1.391 1.00 0.00 C ATOM 0 H MET A 48 4.338 -12.965 2.389 1.00 0.00 H new ATOM 0 HA MET A 48 5.198 -15.404 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.674 -14.247 3.739 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.008 -15.931 3.387 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.190 -14.442 1.253 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.596 -13.577 2.722 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.500 -16.197 1.482 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.164 -15.661 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.037 -14.480 1.441 1.00 0.00 H new ATOM 664 N LYS A 49 2.677 -15.938 1.485 1.00 0.00 N ATOM 665 CA LYS A 49 1.476 -16.682 1.825 1.00 0.00 C ATOM 666 C LYS A 49 0.967 -16.222 3.193 1.00 0.00 C ATOM 667 O LYS A 49 0.319 -16.985 3.907 1.00 0.00 O ATOM 668 CB LYS A 49 1.737 -18.187 1.741 1.00 0.00 C ATOM 669 CG LYS A 49 1.519 -18.703 0.317 1.00 0.00 C ATOM 670 CD LYS A 49 2.850 -18.843 -0.425 1.00 0.00 C ATOM 671 CE LYS A 49 2.646 -18.751 -1.938 1.00 0.00 C ATOM 672 NZ LYS A 49 3.779 -18.040 -2.571 1.00 0.00 N ATOM 0 H LYS A 49 2.711 -15.599 0.524 1.00 0.00 H new ATOM 0 HA LYS A 49 0.684 -16.478 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.758 -18.401 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.074 -18.713 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.013 -19.668 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.866 -18.019 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.536 -18.062 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.312 -19.798 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.555 -19.752 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.714 -18.228 -2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.625 -17.986 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.847 -17.079 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.662 -18.555 -2.380 1.00 0.00 H new ATOM 686 N MET A 50 1.280 -14.975 3.516 1.00 0.00 N ATOM 687 CA MET A 50 0.862 -14.404 4.785 1.00 0.00 C ATOM 688 C MET A 50 0.100 -13.094 4.573 1.00 0.00 C ATOM 689 O MET A 50 0.364 -12.367 3.616 1.00 0.00 O ATOM 690 CB MET A 50 2.091 -14.145 5.658 1.00 0.00 C ATOM 691 CG MET A 50 2.509 -15.412 6.407 1.00 0.00 C ATOM 692 SD MET A 50 2.956 -15.009 8.087 1.00 0.00 S ATOM 693 CE MET A 50 1.382 -15.255 8.894 1.00 0.00 C ATOM 0 H MET A 50 1.818 -14.345 2.921 1.00 0.00 H new ATOM 0 HA MET A 50 0.197 -15.113 5.279 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.916 -13.797 5.036 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.873 -13.351 6.372 1.00 0.00 H new ATOM 0 HG2 MET A 50 1.692 -16.133 6.403 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.352 -15.882 5.901 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.482 -15.045 9.959 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.641 -14.583 8.460 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.060 -16.287 8.757 1.00 0.00 H new ATOM 703 N GLU A 51 -0.828 -12.832 5.481 1.00 0.00 N ATOM 704 CA GLU A 51 -1.629 -11.622 5.404 1.00 0.00 C ATOM 705 C GLU A 51 -0.973 -10.500 6.211 1.00 0.00 C ATOM 706 O GLU A 51 -0.872 -10.587 7.434 1.00 0.00 O ATOM 707 CB GLU A 51 -3.059 -11.880 5.885 1.00 0.00 C ATOM 708 CG GLU A 51 -3.628 -13.153 5.256 1.00 0.00 C ATOM 709 CD GLU A 51 -3.495 -14.343 6.209 1.00 0.00 C ATOM 710 OE1 GLU A 51 -3.721 -14.128 7.419 1.00 0.00 O ATOM 711 OE2 GLU A 51 -3.171 -15.440 5.705 1.00 0.00 O ATOM 0 H GLU A 51 -1.043 -13.437 6.274 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.682 -11.310 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.070 -11.970 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.691 -11.030 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.677 -13.000 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.104 -13.368 4.325 1.00 0.00 H new ATOM 718 N HIS A 52 -0.544 -9.472 5.494 1.00 0.00 N ATOM 719 CA HIS A 52 0.099 -8.334 6.127 1.00 0.00 C ATOM 720 C HIS A 52 -0.909 -7.192 6.277 1.00 0.00 C ATOM 721 O HIS A 52 -1.440 -6.695 5.286 1.00 0.00 O ATOM 722 CB HIS A 52 1.354 -7.920 5.356 1.00 0.00 C ATOM 723 CG HIS A 52 2.121 -9.078 4.764 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.563 -10.149 5.521 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.518 -9.322 3.482 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.198 -10.993 4.721 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.169 -10.478 3.458 1.00 0.00 N ATOM 0 H HIS A 52 -0.629 -9.404 4.480 1.00 0.00 H new ATOM 0 HA HIS A 52 0.433 -8.611 7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.067 -7.240 4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.012 -7.365 6.025 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.424 -10.268 6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.334 -8.683 2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.658 -11.925 5.017 1.00 0.00 H new ATOM 735 N THR A 53 -1.141 -6.810 7.524 1.00 0.00 N ATOM 736 CA THR A 53 -2.075 -5.737 7.816 1.00 0.00 C ATOM 737 C THR A 53 -1.363 -4.383 7.772 1.00 0.00 C ATOM 738 O THR A 53 -0.690 -4.000 8.728 1.00 0.00 O ATOM 739 CB THR A 53 -2.730 -6.035 9.167 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.249 -7.354 9.018 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.970 -5.173 9.419 1.00 0.00 C ATOM 0 H THR A 53 -0.698 -7.225 8.344 1.00 0.00 H new ATOM 0 HA THR A 53 -2.861 -5.681 7.062 1.00 0.00 H new ATOM 0 HB THR A 53 -2.006 -5.872 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.690 -7.628 9.849 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.396 -5.424 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.690 -4.120 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.708 -5.361 8.639 1.00 0.00 H new ATOM 749 N ILE A 54 -1.536 -3.696 6.652 1.00 0.00 N ATOM 750 CA ILE A 54 -0.918 -2.394 6.470 1.00 0.00 C ATOM 751 C ILE A 54 -1.621 -1.372 7.367 1.00 0.00 C ATOM 752 O ILE A 54 -2.670 -0.841 7.006 1.00 0.00 O ATOM 753 CB ILE A 54 -0.907 -2.008 4.990 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.259 -2.676 4.258 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.895 -0.488 4.820 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.109 -4.095 3.821 1.00 0.00 C ATOM 0 H ILE A 54 -2.095 -4.017 5.862 1.00 0.00 H new ATOM 0 HA ILE A 54 0.128 -2.422 6.776 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.826 -2.376 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.533 -2.083 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.132 -2.707 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.887 -0.241 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.784 -0.063 5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.005 -0.076 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.737 -4.547 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.359 -4.692 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.967 -4.058 3.150 1.00 0.00 H new ATOM 768 N LYS A 55 -1.013 -1.126 8.518 1.00 0.00 N ATOM 769 CA LYS A 55 -1.567 -0.177 9.469 1.00 0.00 C ATOM 770 C LYS A 55 -1.191 1.244 9.043 1.00 0.00 C ATOM 771 O LYS A 55 -0.101 1.471 8.522 1.00 0.00 O ATOM 772 CB LYS A 55 -1.130 -0.528 10.893 1.00 0.00 C ATOM 773 CG LYS A 55 -1.888 -1.750 11.414 1.00 0.00 C ATOM 774 CD LYS A 55 -2.972 -1.338 12.413 1.00 0.00 C ATOM 775 CE LYS A 55 -4.128 -2.340 12.411 1.00 0.00 C ATOM 776 NZ LYS A 55 -4.234 -3.011 13.726 1.00 0.00 N ATOM 0 H LYS A 55 -0.142 -1.567 8.814 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.656 -0.232 9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.058 -0.726 10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.307 0.322 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.342 -2.284 10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.191 -2.438 11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.544 -1.273 13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.346 -0.346 12.161 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.062 -1.827 12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.972 -3.083 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.023 -3.688 13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.349 -3.517 13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.405 -2.300 14.466 1.00 0.00 H new ATOM 790 N SER A 56 -2.116 2.162 9.280 1.00 0.00 N ATOM 791 CA SER A 56 -1.896 3.554 8.927 1.00 0.00 C ATOM 792 C SER A 56 -0.749 4.130 9.760 1.00 0.00 C ATOM 793 O SER A 56 -0.637 3.843 10.951 1.00 0.00 O ATOM 794 CB SER A 56 -3.166 4.382 9.130 1.00 0.00 C ATOM 795 OG SER A 56 -3.217 5.506 8.255 1.00 0.00 O ATOM 0 H SER A 56 -3.020 1.969 9.712 1.00 0.00 H new ATOM 0 HA SER A 56 -1.630 3.600 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.040 3.752 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.214 4.725 10.164 1.00 0.00 H new ATOM 0 HG SER A 56 -3.073 6.328 8.769 1.00 0.00 H new ATOM 801 N PRO A 57 0.096 4.954 9.084 1.00 0.00 N ATOM 802 CA PRO A 57 1.230 5.573 9.749 1.00 0.00 C ATOM 803 C PRO A 57 0.776 6.722 10.651 1.00 0.00 C ATOM 804 O PRO A 57 1.412 7.009 11.665 1.00 0.00 O ATOM 805 CB PRO A 57 2.146 6.027 8.624 1.00 0.00 C ATOM 806 CG PRO A 57 1.283 6.065 7.374 1.00 0.00 C ATOM 807 CD PRO A 57 -0.006 5.317 7.673 1.00 0.00 C ATOM 0 HA PRO A 57 1.752 4.888 10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.569 7.009 8.837 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.983 5.340 8.500 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.069 7.095 7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.806 5.605 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.879 5.942 7.487 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.107 4.433 7.043 1.00 0.00 H new ATOM 815 N LYS A 58 -0.320 7.349 10.251 1.00 0.00 N ATOM 816 CA LYS A 58 -0.866 8.461 11.011 1.00 0.00 C ATOM 817 C LYS A 58 -2.330 8.672 10.617 1.00 0.00 C ATOM 818 O LYS A 58 -2.838 8.002 9.719 1.00 0.00 O ATOM 819 CB LYS A 58 0.003 9.708 10.837 1.00 0.00 C ATOM 820 CG LYS A 58 -0.107 10.258 9.413 1.00 0.00 C ATOM 821 CD LYS A 58 0.986 11.294 9.140 1.00 0.00 C ATOM 822 CE LYS A 58 0.416 12.714 9.173 1.00 0.00 C ATOM 823 NZ LYS A 58 1.401 13.654 9.754 1.00 0.00 N ATOM 0 H LYS A 58 -0.845 7.108 9.410 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.851 8.237 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.304 10.472 11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.042 9.465 11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.026 9.441 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.088 10.712 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.777 11.198 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.439 11.103 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.154 13.031 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.502 12.730 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.999 14.613 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.631 13.360 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.266 13.651 9.177 1.00 0.00 H new ATOM 837 N ASP A 59 -2.967 9.605 11.309 1.00 0.00 N ATOM 838 CA ASP A 59 -4.362 9.913 11.043 1.00 0.00 C ATOM 839 C ASP A 59 -4.452 10.839 9.828 1.00 0.00 C ATOM 840 O ASP A 59 -3.558 11.650 9.594 1.00 0.00 O ATOM 841 CB ASP A 59 -5.004 10.628 12.233 1.00 0.00 C ATOM 842 CG ASP A 59 -4.109 11.652 12.932 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.651 12.580 12.230 1.00 0.00 O ATOM 844 OD2 ASP A 59 -3.902 11.485 14.154 1.00 0.00 O ATOM 0 H ASP A 59 -2.543 10.158 12.054 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.887 8.975 10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.908 11.132 11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.313 9.880 12.963 1.00 0.00 H new ATOM 849 N GLY A 60 -5.541 10.688 9.089 1.00 0.00 N ATOM 850 CA GLY A 60 -5.761 11.501 7.905 1.00 0.00 C ATOM 851 C GLY A 60 -6.883 10.921 7.042 1.00 0.00 C ATOM 852 O GLY A 60 -7.272 9.767 7.216 1.00 0.00 O ATOM 0 H GLY A 60 -6.281 10.014 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.014 12.519 8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.842 11.558 7.322 1.00 0.00 H new ATOM 856 N THR A 61 -7.373 11.748 6.130 1.00 0.00 N ATOM 857 CA THR A 61 -8.443 11.332 5.240 1.00 0.00 C ATOM 858 C THR A 61 -7.871 10.872 3.897 1.00 0.00 C ATOM 859 O THR A 61 -7.411 11.689 3.101 1.00 0.00 O ATOM 860 CB THR A 61 -9.431 12.494 5.113 1.00 0.00 C ATOM 861 OG1 THR A 61 -10.135 12.487 6.352 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.515 12.229 4.067 1.00 0.00 C ATOM 0 H THR A 61 -7.048 12.705 5.988 1.00 0.00 H new ATOM 0 HA THR A 61 -8.979 10.472 5.641 1.00 0.00 H new ATOM 0 HB THR A 61 -8.890 13.404 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.796 13.211 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.189 13.084 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.051 12.075 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.079 11.338 4.345 1.00 0.00 H new ATOM 870 N VAL A 62 -7.919 9.564 3.687 1.00 0.00 N ATOM 871 CA VAL A 62 -7.411 8.985 2.455 1.00 0.00 C ATOM 872 C VAL A 62 -7.862 9.842 1.271 1.00 0.00 C ATOM 873 O VAL A 62 -9.058 9.987 1.024 1.00 0.00 O ATOM 874 CB VAL A 62 -7.857 7.526 2.341 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.316 6.886 1.060 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.435 6.725 3.574 1.00 0.00 C ATOM 0 H VAL A 62 -8.302 8.889 4.349 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.321 8.979 2.456 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.946 7.512 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.647 5.849 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.688 7.434 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.227 6.919 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.765 5.692 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.350 6.752 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.890 7.160 4.464 1.00 0.00 H new ATOM 886 N LYS A 63 -6.879 10.389 0.569 1.00 0.00 N ATOM 887 CA LYS A 63 -7.159 11.228 -0.583 1.00 0.00 C ATOM 888 C LYS A 63 -7.512 10.342 -1.780 1.00 0.00 C ATOM 889 O LYS A 63 -8.588 10.476 -2.360 1.00 0.00 O ATOM 890 CB LYS A 63 -5.993 12.182 -0.847 1.00 0.00 C ATOM 891 CG LYS A 63 -6.173 12.913 -2.179 1.00 0.00 C ATOM 892 CD LYS A 63 -5.262 14.140 -2.259 1.00 0.00 C ATOM 893 CE LYS A 63 -5.519 14.930 -3.544 1.00 0.00 C ATOM 894 NZ LYS A 63 -6.092 16.258 -3.229 1.00 0.00 N ATOM 0 H LYS A 63 -5.888 10.267 0.777 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.023 11.864 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.922 12.908 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.057 11.624 -0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.949 12.235 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.213 13.220 -2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.432 14.781 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.219 13.826 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.587 15.051 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.202 14.376 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.708 16.564 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.648 16.197 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.323 16.947 -3.104 1.00 0.00 H new ATOM 908 N LYS A 64 -6.585 9.456 -2.114 1.00 0.00 N ATOM 909 CA LYS A 64 -6.784 8.549 -3.231 1.00 0.00 C ATOM 910 C LYS A 64 -5.942 7.289 -3.016 1.00 0.00 C ATOM 911 O LYS A 64 -4.883 7.345 -2.392 1.00 0.00 O ATOM 912 CB LYS A 64 -6.501 9.259 -4.556 1.00 0.00 C ATOM 913 CG LYS A 64 -6.058 8.262 -5.629 1.00 0.00 C ATOM 914 CD LYS A 64 -4.558 7.980 -5.530 1.00 0.00 C ATOM 915 CE LYS A 64 -3.886 8.100 -6.899 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.128 9.367 -6.996 1.00 0.00 N ATOM 0 H LYS A 64 -5.694 9.347 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.826 8.232 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.396 9.784 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.726 10.011 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.615 7.331 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.293 8.658 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.098 8.680 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.398 6.979 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.215 7.255 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.640 8.059 -7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.171 9.723 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.544 10.070 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.136 9.199 -6.732 1.00 0.00 H new ATOM 930 N VAL A 65 -6.444 6.183 -3.544 1.00 0.00 N ATOM 931 CA VAL A 65 -5.751 4.912 -3.418 1.00 0.00 C ATOM 932 C VAL A 65 -4.927 4.658 -4.682 1.00 0.00 C ATOM 933 O VAL A 65 -5.307 5.085 -5.771 1.00 0.00 O ATOM 934 CB VAL A 65 -6.755 3.796 -3.124 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.038 2.475 -2.835 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.681 4.181 -1.968 1.00 0.00 C ATOM 0 H VAL A 65 -7.323 6.140 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.057 4.936 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.370 3.656 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.775 1.699 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.441 2.188 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.387 2.596 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.385 3.370 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.088 4.362 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.231 5.086 -2.228 1.00 0.00 H new ATOM 946 N PHE A 66 -3.815 3.963 -4.495 1.00 0.00 N ATOM 947 CA PHE A 66 -2.934 3.647 -5.607 1.00 0.00 C ATOM 948 C PHE A 66 -3.081 2.181 -6.023 1.00 0.00 C ATOM 949 O PHE A 66 -2.879 1.840 -7.187 1.00 0.00 O ATOM 950 CB PHE A 66 -1.502 3.886 -5.125 1.00 0.00 C ATOM 951 CG PHE A 66 -1.131 5.364 -4.987 1.00 0.00 C ATOM 952 CD1 PHE A 66 -0.861 6.104 -6.096 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.072 5.939 -3.756 1.00 0.00 C ATOM 954 CE1 PHE A 66 -0.517 7.476 -5.968 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.728 7.310 -3.628 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.458 8.050 -4.737 1.00 0.00 C ATOM 0 H PHE A 66 -3.504 3.610 -3.590 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.183 4.268 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.368 3.397 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.811 3.412 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.908 5.648 -7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.287 5.352 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.302 8.063 -6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.681 7.766 -2.650 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.197 9.093 -4.640 1.00 0.00 H new ATOM 966 N TYR A 67 -3.431 1.355 -5.048 1.00 0.00 N ATOM 967 CA TYR A 67 -3.607 -0.065 -5.298 1.00 0.00 C ATOM 968 C TYR A 67 -4.916 -0.571 -4.689 1.00 0.00 C ATOM 969 O TYR A 67 -5.274 -0.191 -3.575 1.00 0.00 O ATOM 970 CB TYR A 67 -2.434 -0.764 -4.608 1.00 0.00 C ATOM 971 CG TYR A 67 -1.064 -0.389 -5.178 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.823 -0.509 -6.531 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.070 0.071 -4.338 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.466 -0.156 -7.068 1.00 0.00 C ATOM 975 CE2 TYR A 67 1.219 0.424 -4.874 1.00 0.00 C ATOM 976 CZ TYR A 67 1.423 0.293 -6.212 1.00 0.00 C ATOM 977 OH TYR A 67 2.641 0.627 -6.719 1.00 0.00 O ATOM 0 H TYR A 67 -3.597 1.642 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.641 -0.264 -6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.453 -0.521 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.568 -1.843 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.601 -0.868 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.259 0.166 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.668 -0.246 -8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.006 0.785 -4.228 1.00 0.00 H new ATOM 0 HH TYR A 67 3.040 1.336 -6.172 1.00 0.00 H new ATOM 987 N ARG A 68 -5.595 -1.421 -5.446 1.00 0.00 N ATOM 988 CA ARG A 68 -6.856 -1.983 -4.994 1.00 0.00 C ATOM 989 C ARG A 68 -6.723 -3.494 -4.794 1.00 0.00 C ATOM 990 O ARG A 68 -5.628 -4.044 -4.902 1.00 0.00 O ATOM 991 CB ARG A 68 -7.975 -1.705 -6.000 1.00 0.00 C ATOM 992 CG ARG A 68 -8.196 -0.201 -6.172 1.00 0.00 C ATOM 993 CD ARG A 68 -9.666 0.166 -5.957 1.00 0.00 C ATOM 994 NE ARG A 68 -9.833 1.635 -6.007 1.00 0.00 N ATOM 995 CZ ARG A 68 -11.019 2.258 -5.966 1.00 0.00 C ATOM 996 NH1 ARG A 68 -12.148 1.543 -5.873 1.00 0.00 N ATOM 997 NH2 ARG A 68 -11.075 3.596 -6.016 1.00 0.00 N ATOM 0 H ARG A 68 -5.295 -1.734 -6.369 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.109 -1.509 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.723 -2.152 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.898 -2.176 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.574 0.345 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.884 0.104 -7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.283 -0.305 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.007 -0.215 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.993 2.210 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.105 0.525 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.051 2.017 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.215 4.140 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.978 4.070 -5.985 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.854 -4.123 -4.507 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.877 -5.560 -4.292 1.00 0.00 C ATOM 1013 C GLU A 69 -7.272 -6.287 -5.494 1.00 0.00 C ATOM 1014 O GLU A 69 -7.534 -5.923 -6.640 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.299 -6.049 -4.013 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.786 -5.571 -2.644 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.296 -5.769 -2.498 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.785 -6.801 -3.008 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.927 -4.884 -1.882 1.00 0.00 O ATOM 0 H GLU A 69 -8.760 -3.664 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.272 -5.786 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.971 -5.684 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.327 -7.138 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.266 -6.119 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.540 -4.517 -2.514 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.475 -7.301 -5.193 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.831 -8.082 -6.235 1.00 0.00 C ATOM 1028 C GLY A 70 -4.883 -7.214 -7.065 1.00 0.00 C ATOM 1029 O GLY A 70 -4.841 -7.329 -8.289 1.00 0.00 O ATOM 0 H GLY A 70 -6.260 -7.600 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.276 -8.906 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.588 -8.523 -6.884 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.146 -6.364 -6.365 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.201 -5.476 -7.022 1.00 0.00 C ATOM 1035 C ALA A 71 -1.776 -5.906 -6.671 1.00 0.00 C ATOM 1036 O ALA A 71 -1.563 -6.627 -5.698 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.492 -4.030 -6.616 1.00 0.00 C ATOM 0 H ALA A 71 -4.184 -6.271 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.306 -5.537 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.783 -3.364 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.506 -3.765 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.394 -3.929 -5.535 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.836 -5.444 -7.482 1.00 0.00 N ATOM 1044 CA GLN A 72 0.564 -5.771 -7.269 1.00 0.00 C ATOM 1045 C GLN A 72 1.343 -4.522 -6.850 1.00 0.00 C ATOM 1046 O GLN A 72 1.357 -3.524 -7.569 1.00 0.00 O ATOM 1047 CB GLN A 72 1.176 -6.404 -8.520 1.00 0.00 C ATOM 1048 CG GLN A 72 2.704 -6.349 -8.471 1.00 0.00 C ATOM 1049 CD GLN A 72 3.318 -7.607 -9.091 1.00 0.00 C ATOM 1050 OE1 GLN A 72 2.870 -8.111 -10.108 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.366 -8.082 -8.424 1.00 0.00 N ATOM 0 H GLN A 72 -1.016 -4.846 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 72 0.627 -6.503 -6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.848 -7.440 -8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.818 -5.883 -9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.057 -5.467 -9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.035 -6.250 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.689 -7.611 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.847 -8.918 -8.757 1.00 0.00 H new ATOM 1060 N ALA A 73 1.973 -4.619 -5.688 1.00 0.00 N ATOM 1061 CA ALA A 73 2.752 -3.510 -5.165 1.00 0.00 C ATOM 1062 C ALA A 73 4.217 -3.934 -5.044 1.00 0.00 C ATOM 1063 O ALA A 73 4.528 -5.123 -5.084 1.00 0.00 O ATOM 1064 CB ALA A 73 2.163 -3.058 -3.827 1.00 0.00 C ATOM 0 H ALA A 73 1.960 -5.448 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 73 2.710 -2.658 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.748 -2.226 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.131 -2.739 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.190 -3.886 -3.119 1.00 0.00 H new ATOM 1070 N ASN A 74 5.078 -2.938 -4.897 1.00 0.00 N ATOM 1071 CA ASN A 74 6.503 -3.193 -4.769 1.00 0.00 C ATOM 1072 C ASN A 74 6.988 -2.682 -3.411 1.00 0.00 C ATOM 1073 O ASN A 74 6.260 -1.981 -2.711 1.00 0.00 O ATOM 1074 CB ASN A 74 7.293 -2.464 -5.858 1.00 0.00 C ATOM 1075 CG ASN A 74 8.083 -3.453 -6.717 1.00 0.00 C ATOM 1076 OD1 ASN A 74 9.093 -4.001 -6.309 1.00 0.00 O ATOM 1077 ND2 ASN A 74 7.567 -3.650 -7.927 1.00 0.00 N ATOM 0 H ASN A 74 4.816 -1.953 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 74 6.663 -4.267 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.610 -1.894 -6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.976 -1.749 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.021 -4.293 -8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.718 -3.158 -8.205 1.00 0.00 H new ATOM 1084 N ARG A 75 8.216 -3.054 -3.079 1.00 0.00 N ATOM 1085 CA ARG A 75 8.807 -2.642 -1.817 1.00 0.00 C ATOM 1086 C ARG A 75 9.038 -1.130 -1.808 1.00 0.00 C ATOM 1087 O ARG A 75 9.703 -0.594 -2.693 1.00 0.00 O ATOM 1088 CB ARG A 75 10.139 -3.356 -1.574 1.00 0.00 C ATOM 1089 CG ARG A 75 10.458 -3.426 -0.080 1.00 0.00 C ATOM 1090 CD ARG A 75 11.213 -4.713 0.260 1.00 0.00 C ATOM 1091 NE ARG A 75 12.672 -4.488 0.147 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.593 -5.451 0.287 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.213 -6.710 0.545 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.895 -5.155 0.168 1.00 0.00 N ATOM 0 H ARG A 75 8.818 -3.636 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 75 8.112 -2.912 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.097 -4.363 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.938 -2.830 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.057 -2.562 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.533 -3.380 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.963 -5.035 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.907 -5.513 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 75 12.996 -3.541 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.222 -6.935 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.914 -7.443 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.184 -4.197 -0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.596 -5.888 0.275 1.00 0.00 H new ATOM 1108 N HIS A 76 8.475 -0.484 -0.797 1.00 0.00 N ATOM 1109 CA HIS A 76 8.611 0.956 -0.661 1.00 0.00 C ATOM 1110 C HIS A 76 7.786 1.655 -1.743 1.00 0.00 C ATOM 1111 O HIS A 76 8.320 2.436 -2.529 1.00 0.00 O ATOM 1112 CB HIS A 76 10.085 1.367 -0.681 1.00 0.00 C ATOM 1113 CG HIS A 76 10.930 0.674 0.361 1.00 0.00 C ATOM 1114 ND1 HIS A 76 12.302 0.536 0.242 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.584 0.083 1.540 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.751 -0.111 1.308 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.684 -0.392 2.111 1.00 0.00 N ATOM 0 H HIS A 76 7.924 -0.932 -0.065 1.00 0.00 H new ATOM 0 HA HIS A 76 8.219 1.272 0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.497 1.155 -1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.153 2.445 -0.531 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.584 0.013 1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.780 -0.370 1.506 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.725 -0.886 3.003 1.00 0.00 H new ATOM 1125 N THR A 77 6.497 1.347 -1.750 1.00 0.00 N ATOM 1126 CA THR A 77 5.593 1.936 -2.724 1.00 0.00 C ATOM 1127 C THR A 77 4.382 2.554 -2.021 1.00 0.00 C ATOM 1128 O THR A 77 3.990 2.108 -0.944 1.00 0.00 O ATOM 1129 CB THR A 77 5.219 0.852 -3.737 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.696 -0.205 -2.939 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.446 0.236 -4.414 1.00 0.00 C ATOM 0 H THR A 77 6.057 0.698 -1.097 1.00 0.00 H new ATOM 0 HA THR A 77 6.070 2.755 -3.263 1.00 0.00 H new ATOM 0 HB THR A 77 4.560 1.276 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.362 -0.920 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.125 -0.527 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.999 1.013 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.089 -0.217 -3.659 1.00 0.00 H new ATOM 1139 N PRO A 78 3.809 3.598 -2.677 1.00 0.00 N ATOM 1140 CA PRO A 78 2.651 4.282 -2.127 1.00 0.00 C ATOM 1141 C PRO A 78 1.385 3.438 -2.293 1.00 0.00 C ATOM 1142 O PRO A 78 1.049 3.030 -3.404 1.00 0.00 O ATOM 1143 CB PRO A 78 2.584 5.605 -2.873 1.00 0.00 C ATOM 1144 CG PRO A 78 3.421 5.418 -4.128 1.00 0.00 C ATOM 1145 CD PRO A 78 4.246 4.153 -3.955 1.00 0.00 C ATOM 0 HA PRO A 78 2.733 4.449 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.555 5.860 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.974 6.419 -2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.780 5.338 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.071 6.279 -4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.072 3.452 -4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.313 4.374 -3.947 1.00 0.00 H new ATOM 1153 N LEU A 79 0.719 3.202 -1.173 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.502 2.414 -1.180 1.00 0.00 C ATOM 1155 C LEU A 79 -1.710 3.352 -1.147 1.00 0.00 C ATOM 1156 O LEU A 79 -2.574 3.289 -2.020 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.486 1.391 -0.042 1.00 0.00 C ATOM 1158 CG LEU A 79 0.839 0.661 0.185 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.995 0.252 1.651 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.978 -0.533 -0.761 1.00 0.00 C ATOM 0 H LEU A 79 1.002 3.543 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.575 1.833 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.760 1.900 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.259 0.648 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 79 1.652 1.350 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.945 -0.265 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.974 1.141 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.178 -0.412 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.929 -1.034 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.160 -1.232 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.944 -0.185 -1.793 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.731 4.201 -0.130 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.819 5.151 0.029 1.00 0.00 C ATOM 1174 C VAL A 80 -2.240 6.550 0.254 1.00 0.00 C ATOM 1175 O VAL A 80 -1.146 6.692 0.797 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.748 4.700 1.157 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.756 3.663 0.657 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.947 4.158 2.343 1.00 0.00 C ATOM 0 H VAL A 80 -1.012 4.251 0.592 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.425 5.192 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.306 5.571 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.404 3.360 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.360 4.097 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.223 2.792 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.631 3.844 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.350 3.305 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.288 4.938 2.724 1.00 0.00 H new ATOM 1188 N GLU A 81 -3.001 7.546 -0.175 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.577 8.928 -0.027 1.00 0.00 C ATOM 1190 C GLU A 81 -3.470 9.652 0.982 1.00 0.00 C ATOM 1191 O GLU A 81 -4.657 9.348 1.097 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.578 9.649 -1.377 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.685 10.892 -1.335 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.742 10.930 -2.539 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -1.257 10.779 -3.668 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.472 11.109 -2.303 1.00 0.00 O ATOM 0 H GLU A 81 -3.908 7.424 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.555 8.936 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.228 8.971 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.596 9.937 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.304 11.789 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.104 10.896 -0.413 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.866 10.597 1.688 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.593 11.367 2.683 1.00 0.00 C ATOM 1205 C PHE A 82 -3.956 12.753 2.147 1.00 0.00 C ATOM 1206 O PHE A 82 -3.291 13.270 1.250 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.665 11.527 3.889 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.593 10.291 4.788 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.710 9.846 5.422 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.412 9.638 4.952 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.644 8.699 6.256 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.345 8.490 5.786 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.463 8.045 6.421 1.00 0.00 C ATOM 0 H PHE A 82 -1.882 10.847 1.591 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.519 10.855 2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.662 11.764 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.002 12.377 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.648 10.365 5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.525 9.992 4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.532 8.346 6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.407 7.971 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.413 7.173 7.056 1.00 0.00 H new ATOM 1223 N GLU A 83 -5.011 13.315 2.717 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.471 14.631 2.308 1.00 0.00 C ATOM 1225 C GLU A 83 -4.586 15.718 2.921 1.00 0.00 C ATOM 1226 O GLU A 83 -3.764 15.436 3.792 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.939 14.842 2.686 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.869 14.242 1.629 1.00 0.00 C ATOM 1229 CD GLU A 83 -8.133 15.241 0.501 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -9.017 16.101 0.700 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -7.444 15.121 -0.536 1.00 0.00 O ATOM 0 H GLU A 83 -5.561 12.883 3.459 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.396 14.698 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.139 14.383 3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.142 15.908 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.423 13.335 1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.813 13.953 2.092 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.783 16.938 2.442 1.00 0.00 N ATOM 1239 CA GLU A 84 -4.013 18.068 2.933 1.00 0.00 C ATOM 1240 C GLU A 84 -4.321 18.319 4.411 1.00 0.00 C ATOM 1241 O GLU A 84 -5.407 18.784 4.752 1.00 0.00 O ATOM 1242 CB GLU A 84 -4.283 19.320 2.096 1.00 0.00 C ATOM 1243 CG GLU A 84 -2.983 19.885 1.520 1.00 0.00 C ATOM 1244 CD GLU A 84 -3.115 21.383 1.237 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -3.398 22.121 2.206 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -2.929 21.757 0.059 1.00 0.00 O ATOM 0 H GLU A 84 -5.465 17.168 1.719 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.954 17.829 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.970 19.078 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.771 20.076 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.166 19.714 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.729 19.358 0.600 1.00 0.00 H new ATOM 1253 N GLU A 85 -3.345 17.999 5.248 1.00 0.00 N ATOM 1254 CA GLU A 85 -3.498 18.184 6.681 1.00 0.00 C ATOM 1255 C GLU A 85 -3.733 19.661 7.003 1.00 0.00 C ATOM 1256 O GLU A 85 -3.461 20.531 6.177 1.00 0.00 O ATOM 1257 CB GLU A 85 -2.282 17.645 7.436 1.00 0.00 C ATOM 1258 CG GLU A 85 -1.076 18.572 7.269 1.00 0.00 C ATOM 1259 CD GLU A 85 0.078 17.851 6.569 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -0.060 17.609 5.351 1.00 0.00 O ATOM 1261 OE2 GLU A 85 1.071 17.558 7.269 1.00 0.00 O ATOM 0 H GLU A 85 -2.446 17.613 4.961 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.369 17.617 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.523 17.543 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.033 16.649 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.365 19.450 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.748 18.927 8.246 1.00 0.00 H new ATOM 1268 N GLU A 86 -4.235 19.898 8.206 1.00 0.00 N ATOM 1269 CA GLU A 86 -4.510 21.255 8.648 1.00 0.00 C ATOM 1270 C GLU A 86 -4.143 21.417 10.124 1.00 0.00 C ATOM 1271 O GLU A 86 -3.502 22.396 10.504 1.00 0.00 O ATOM 1272 CB GLU A 86 -5.974 21.626 8.403 1.00 0.00 C ATOM 1273 CG GLU A 86 -6.095 23.046 7.848 1.00 0.00 C ATOM 1274 CD GLU A 86 -7.373 23.205 7.022 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -8.450 23.288 7.652 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -7.245 23.239 5.779 1.00 0.00 O ATOM 0 H GLU A 86 -4.458 19.174 8.888 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.894 21.938 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.420 20.919 7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.534 21.547 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.097 23.762 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.227 23.274 7.229 1.00 0.00 H new ATOM 1283 N SER A 87 -4.564 20.442 10.916 1.00 0.00 N ATOM 1284 CA SER A 87 -4.287 20.465 12.343 1.00 0.00 C ATOM 1285 C SER A 87 -3.029 19.647 12.645 1.00 0.00 C ATOM 1286 O SER A 87 -2.953 18.469 12.300 1.00 0.00 O ATOM 1287 CB SER A 87 -5.475 19.926 13.143 1.00 0.00 C ATOM 1288 OG SER A 87 -6.687 20.603 12.819 1.00 0.00 O ATOM 0 H SER A 87 -5.095 19.631 10.597 1.00 0.00 H new ATOM 0 HA SER A 87 -4.121 21.500 12.643 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.591 18.860 12.946 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.273 20.033 14.209 1.00 0.00 H new ATOM 0 HG SER A 87 -7.422 20.229 13.349 1.00 0.00 H new ATOM 1294 N ASP A 88 -2.074 20.305 13.285 1.00 0.00 N ATOM 1295 CA ASP A 88 -0.824 19.654 13.637 1.00 0.00 C ATOM 1296 C ASP A 88 0.018 20.604 14.492 1.00 0.00 C ATOM 1297 O ASP A 88 0.778 21.413 13.963 1.00 0.00 O ATOM 1298 CB ASP A 88 -0.015 19.302 12.387 1.00 0.00 C ATOM 1299 CG ASP A 88 1.125 18.307 12.613 1.00 0.00 C ATOM 1300 OD1 ASP A 88 2.235 18.781 12.940 1.00 0.00 O ATOM 1301 OD2 ASP A 88 0.862 17.096 12.455 1.00 0.00 O ATOM 0 H ASP A 88 -2.141 21.282 13.569 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.062 18.741 14.182 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.692 18.891 11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.401 20.220 11.972 1.00 0.00 H new ATOM 1306 N LYS A 89 -0.147 20.474 15.800 1.00 0.00 N ATOM 1307 CA LYS A 89 0.588 21.310 16.734 1.00 0.00 C ATOM 1308 C LYS A 89 1.682 20.478 17.405 1.00 0.00 C ATOM 1309 O LYS A 89 1.389 19.556 18.164 1.00 0.00 O ATOM 1310 CB LYS A 89 -0.370 21.978 17.723 1.00 0.00 C ATOM 1311 CG LYS A 89 -1.213 23.051 17.030 1.00 0.00 C ATOM 1312 CD LYS A 89 -2.282 23.603 17.975 1.00 0.00 C ATOM 1313 CE LYS A 89 -1.919 25.012 18.449 1.00 0.00 C ATOM 1314 NZ LYS A 89 -3.072 25.926 18.290 1.00 0.00 N ATOM 0 H LYS A 89 -0.779 19.802 16.235 1.00 0.00 H new ATOM 0 HA LYS A 89 1.085 22.124 16.207 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.024 21.226 18.166 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.198 22.427 18.538 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.569 23.862 16.691 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.688 22.629 16.144 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.246 23.623 17.467 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.389 22.942 18.835 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.612 24.982 19.495 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.069 25.386 17.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.808 26.878 18.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.347 25.967 17.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.873 25.576 18.854 1.00 0.00 H new ATOM 1328 N ARG A 90 2.922 20.834 17.101 1.00 0.00 N ATOM 1329 CA ARG A 90 4.062 20.132 17.665 1.00 0.00 C ATOM 1330 C ARG A 90 4.278 20.554 19.120 1.00 0.00 C ATOM 1331 O ARG A 90 4.250 19.719 20.022 1.00 0.00 O ATOM 1332 CB ARG A 90 5.335 20.415 16.864 1.00 0.00 C ATOM 1333 CG ARG A 90 6.192 19.155 16.734 1.00 0.00 C ATOM 1334 CD ARG A 90 7.606 19.500 16.261 1.00 0.00 C ATOM 1335 NE ARG A 90 8.213 18.332 15.585 1.00 0.00 N ATOM 1336 CZ ARG A 90 9.487 18.281 15.172 1.00 0.00 C ATOM 1337 NH1 ARG A 90 10.296 19.333 15.363 1.00 0.00 N ATOM 1338 NH2 ARG A 90 9.952 17.179 14.568 1.00 0.00 N ATOM 0 H ARG A 90 3.162 21.600 16.471 1.00 0.00 H new ATOM 0 HA ARG A 90 3.849 19.064 17.621 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.071 20.783 15.873 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.910 21.201 17.354 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.241 18.643 17.695 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.727 18.466 16.029 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.573 20.349 15.578 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.220 19.798 17.111 1.00 0.00 H new ATOM 0 HE ARG A 90 7.625 17.514 15.423 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.942 20.172 15.823 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.266 19.294 15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.336 16.379 14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.922 17.140 14.254 1.00 0.00 H new ATOM 1352 N GLU A 91 4.489 21.849 19.302 1.00 0.00 N ATOM 1353 CA GLU A 91 4.710 22.392 20.631 1.00 0.00 C ATOM 1354 C GLU A 91 5.947 21.753 21.266 1.00 0.00 C ATOM 1355 O GLU A 91 5.883 20.632 21.768 1.00 0.00 O ATOM 1356 CB GLU A 91 3.477 22.195 21.516 1.00 0.00 C ATOM 1357 CG GLU A 91 3.188 23.452 22.339 1.00 0.00 C ATOM 1358 CD GLU A 91 2.228 23.144 23.491 1.00 0.00 C ATOM 1359 OE1 GLU A 91 2.509 22.166 24.217 1.00 0.00 O ATOM 1360 OE2 GLU A 91 1.236 23.893 23.618 1.00 0.00 O ATOM 0 H GLU A 91 4.512 22.538 18.551 1.00 0.00 H new ATOM 0 HA GLU A 91 4.884 23.464 20.540 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.614 21.956 20.895 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.635 21.347 22.183 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.120 23.854 22.735 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.757 24.220 21.697 1.00 0.00 H new ATOM 1367 N SER A 92 7.045 22.495 21.224 1.00 0.00 N ATOM 1368 CA SER A 92 8.295 22.015 21.788 1.00 0.00 C ATOM 1369 C SER A 92 9.032 23.164 22.479 1.00 0.00 C ATOM 1370 O SER A 92 8.959 24.309 22.036 1.00 0.00 O ATOM 1371 CB SER A 92 9.181 21.387 20.711 1.00 0.00 C ATOM 1372 OG SER A 92 9.131 22.116 19.487 1.00 0.00 O ATOM 0 H SER A 92 7.094 23.425 20.808 1.00 0.00 H new ATOM 0 HA SER A 92 8.065 21.245 22.524 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.210 21.346 21.067 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.864 20.359 20.534 1.00 0.00 H new ATOM 0 HG SER A 92 9.711 21.685 18.825 1.00 0.00 H new ATOM 1378 N GLU A 93 9.725 22.818 23.554 1.00 0.00 N ATOM 1379 CA GLU A 93 10.475 23.807 24.311 1.00 0.00 C ATOM 1380 C GLU A 93 11.972 23.495 24.254 1.00 0.00 C ATOM 1381 O GLU A 93 12.369 22.332 24.298 1.00 0.00 O ATOM 1382 CB GLU A 93 9.984 23.877 25.758 1.00 0.00 C ATOM 1383 CG GLU A 93 10.066 25.307 26.296 1.00 0.00 C ATOM 1384 CD GLU A 93 10.330 25.312 27.803 1.00 0.00 C ATOM 1385 OE1 GLU A 93 9.742 24.445 28.485 1.00 0.00 O ATOM 1386 OE2 GLU A 93 11.114 26.182 28.239 1.00 0.00 O ATOM 0 H GLU A 93 9.783 21.867 23.919 1.00 0.00 H new ATOM 0 HA GLU A 93 10.310 24.785 23.858 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.955 23.522 25.814 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.584 23.215 26.382 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.861 25.848 25.782 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.135 25.833 26.085 1.00 0.00 H new ATOM 1393 N SER A 94 12.761 24.555 24.157 1.00 0.00 N ATOM 1394 CA SER A 94 14.205 24.409 24.094 1.00 0.00 C ATOM 1395 C SER A 94 14.874 25.401 25.048 1.00 0.00 C ATOM 1396 O SER A 94 14.220 26.304 25.567 1.00 0.00 O ATOM 1397 CB SER A 94 14.718 24.616 22.668 1.00 0.00 C ATOM 1398 OG SER A 94 14.605 25.974 22.251 1.00 0.00 O ATOM 0 H SER A 94 12.428 25.518 24.121 1.00 0.00 H new ATOM 0 HA SER A 94 14.459 23.394 24.399 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.761 24.304 22.609 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.156 23.979 21.985 1.00 0.00 H new ATOM 0 HG SER A 94 14.945 26.065 21.336 1.00 0.00 H new ATOM 1404 N GLY A 95 16.168 25.200 25.249 1.00 0.00 N ATOM 1405 CA GLY A 95 16.932 26.066 26.131 1.00 0.00 C ATOM 1406 C GLY A 95 18.289 26.413 25.517 1.00 0.00 C ATOM 1407 O GLY A 95 18.791 25.688 24.659 1.00 0.00 O ATOM 0 H GLY A 95 16.707 24.450 24.816 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.371 26.981 26.324 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.079 25.574 27.092 1.00 0.00 H new ATOM 1411 N PRO A 96 18.861 27.552 25.992 1.00 0.00 N ATOM 1412 CA PRO A 96 20.150 28.005 25.499 1.00 0.00 C ATOM 1413 C PRO A 96 21.286 27.154 26.073 1.00 0.00 C ATOM 1414 O PRO A 96 21.063 26.333 26.961 1.00 0.00 O ATOM 1415 CB PRO A 96 20.237 29.466 25.909 1.00 0.00 C ATOM 1416 CG PRO A 96 19.208 29.652 27.012 1.00 0.00 C ATOM 1417 CD PRO A 96 18.296 28.436 27.008 1.00 0.00 C ATOM 0 HA PRO A 96 20.247 27.902 24.418 1.00 0.00 H new ATOM 0 HB2 PRO A 96 21.238 29.713 26.263 1.00 0.00 H new ATOM 0 HB3 PRO A 96 20.027 30.122 25.064 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.700 29.757 27.979 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.631 30.562 26.847 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.275 27.954 27.985 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.269 28.712 26.766 1.00 0.00 H new ATOM 1425 N SER A 97 22.478 27.381 25.542 1.00 0.00 N ATOM 1426 CA SER A 97 23.649 26.646 25.990 1.00 0.00 C ATOM 1427 C SER A 97 24.922 27.344 25.507 1.00 0.00 C ATOM 1428 O SER A 97 24.873 28.171 24.598 1.00 0.00 O ATOM 1429 CB SER A 97 23.615 25.200 25.493 1.00 0.00 C ATOM 1430 OG SER A 97 24.273 24.311 26.391 1.00 0.00 O ATOM 0 H SER A 97 22.659 28.063 24.806 1.00 0.00 H new ATOM 0 HA SER A 97 23.644 26.627 27.080 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.579 24.885 25.365 1.00 0.00 H new ATOM 0 HB3 SER A 97 24.089 25.142 24.513 1.00 0.00 H new ATOM 0 HG SER A 97 24.228 23.398 26.039 1.00 0.00 H new ATOM 1436 N SER A 98 26.031 26.985 26.137 1.00 0.00 N ATOM 1437 CA SER A 98 27.314 27.566 25.782 1.00 0.00 C ATOM 1438 C SER A 98 27.323 29.059 26.119 1.00 0.00 C ATOM 1439 O SER A 98 26.272 29.653 26.351 1.00 0.00 O ATOM 1440 CB SER A 98 27.624 27.355 24.299 1.00 0.00 C ATOM 1441 OG SER A 98 27.462 25.994 23.908 1.00 0.00 O ATOM 0 H SER A 98 26.067 26.299 26.891 1.00 0.00 H new ATOM 0 HA SER A 98 28.089 27.064 26.362 1.00 0.00 H new ATOM 0 HB2 SER A 98 26.968 27.985 23.698 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.646 27.672 24.094 1.00 0.00 H new ATOM 0 HG SER A 98 27.667 25.901 22.954 1.00 0.00 H new ATOM 1447 N GLY A 99 28.523 29.622 26.135 1.00 0.00 N ATOM 1448 CA GLY A 99 28.683 31.034 26.440 1.00 0.00 C ATOM 1449 C GLY A 99 27.557 31.860 25.814 1.00 0.00 C ATOM 1450 O GLY A 99 26.928 32.671 26.492 1.00 0.00 O ATOM 0 H GLY A 99 29.393 29.126 25.942 1.00 0.00 H new ATOM 0 HA2 GLY A 99 28.688 31.178 27.520 1.00 0.00 H new ATOM 0 HA3 GLY A 99 29.646 31.384 26.068 1.00 0.00 H new TER 1454 GLY A 99