USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -2 X(o=-2.8,f=-2.9) USER MOD Set 1.2: A 120 CYS SG : rot 89:sc= -0.113 USER MOD Set 1.3: A 122 CYS SG : rot -131:sc= -0.533 USER MOD Set 1.4: A 127 CYS SG : rot -157:sc= -0.159 USER MOD Set 2.1: A 71 HIS : no HD1:sc= -16.6! C(o=-17!,f=-16!) USER MOD Set 2.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 67 THR OG1 : rot -102:sc= -1.41! USER MOD Set 3.2: A 103 MET CE :methyl -161:sc= -1.97! (180deg=-2.18!) USER MOD Set 4.1: A 36 TYR OH : rot -142:sc= -1.27 USER MOD Set 4.2: A 45 HIS : no HD1:sc= -7.43 K(o=-8.7,f=-9.9!) USER MOD Set 5.1: A 11 THR OG1 : rot -170:sc= -1.64 USER MOD Set 5.2: A 14 GLN : amide:sc= -2.06 K(o=-3.7,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 139:sc= -0.781 (180deg=-0.94) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -7.91! C(o=-7.9!,f=-9.7!) USER MOD Single : A 23 ASN : amide:sc= -12! C(o=-12!,f=-26!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -11:sc= 0.263 USER MOD Single : A 46 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 SER OG : rot 110:sc= 0.558 USER MOD Single : A 50 SER OG : rot -130:sc= -0.083 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 170:sc= -0.112 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.363 K(o=-0.36,f=-3!) USER MOD Single : A 61 ASN : amide:sc= -8.4! K(o=-8.4!,f=-2.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -130:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot -82:sc= -0.775 USER MOD Single : A 88 ASN : amide:sc= -8.21! C(o=-8.2!,f=-14!) USER MOD Single : A 89 TYR OH : rot 120:sc= -3.05! USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0162) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 100 LYS NZ :NH3+ 143:sc= -0.342 (180deg=-1.66!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= -3.13 K(o=-3.1,f=-11!) USER MOD Single : A 115 SER OG : rot 14:sc= 1.19 USER MOD Single : A 117 LYS NZ :NH3+ 148:sc= -0.4 (180deg=-1.48!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.672 20.725 9.418 1.00 0.00 N ATOM 2 CA MET A 1 10.245 21.074 9.645 1.00 0.00 C ATOM 3 C MET A 1 9.320 20.170 8.834 1.00 0.00 C ATOM 4 O MET A 1 8.449 20.647 8.106 1.00 0.00 O ATOM 5 CB MET A 1 10.035 22.539 9.253 1.00 0.00 C ATOM 6 CG MET A 1 10.215 23.509 10.410 1.00 0.00 C ATOM 7 SD MET A 1 8.654 23.938 11.204 1.00 0.00 S ATOM 8 CE MET A 1 8.298 25.510 10.423 1.00 0.00 C ATOM 0 H1 MET A 1 12.277 21.355 9.982 1.00 0.00 H new ATOM 0 H2 MET A 1 11.838 19.739 9.704 1.00 0.00 H new ATOM 0 H3 MET A 1 11.900 20.836 8.410 1.00 0.00 H new ATOM 0 HA MET A 1 10.002 20.928 10.698 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.736 22.798 8.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.032 22.657 8.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.885 23.068 11.148 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.695 24.417 10.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.359 25.905 10.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.103 26.213 10.636 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.215 25.370 9.345 1.00 0.00 H new ATOM 18 N ALA A 2 9.514 18.862 8.967 1.00 0.00 N ATOM 19 CA ALA A 2 8.696 17.890 8.250 1.00 0.00 C ATOM 20 C ALA A 2 8.808 18.084 6.741 1.00 0.00 C ATOM 21 O ALA A 2 9.642 18.852 6.264 1.00 0.00 O ATOM 22 CB ALA A 2 7.244 17.995 8.692 1.00 0.00 C ATOM 0 H ALA A 2 10.231 18.450 9.565 1.00 0.00 H new ATOM 0 HA ALA A 2 9.066 16.893 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.645 17.264 8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.174 17.799 9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.871 18.998 8.482 1.00 0.00 H new ATOM 28 N MET A 3 7.961 17.381 5.996 1.00 0.00 N ATOM 29 CA MET A 3 7.962 17.474 4.540 1.00 0.00 C ATOM 30 C MET A 3 9.280 16.970 3.960 1.00 0.00 C ATOM 31 O MET A 3 10.358 17.398 4.376 1.00 0.00 O ATOM 32 CB MET A 3 7.717 18.919 4.098 1.00 0.00 C ATOM 33 CG MET A 3 7.532 19.075 2.597 1.00 0.00 C ATOM 34 SD MET A 3 8.375 20.528 1.939 1.00 0.00 S ATOM 35 CE MET A 3 10.085 20.089 2.237 1.00 0.00 C ATOM 0 H MET A 3 7.265 16.740 6.377 1.00 0.00 H new ATOM 0 HA MET A 3 7.156 16.844 4.163 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.831 19.300 4.606 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.557 19.535 4.418 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.907 18.184 2.094 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.468 19.144 2.371 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.690 20.380 1.378 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.444 20.607 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.163 19.012 2.388 1.00 0.00 H new ATOM 45 N ALA A 4 9.187 16.059 2.995 1.00 0.00 N ATOM 46 CA ALA A 4 10.371 15.495 2.354 1.00 0.00 C ATOM 47 C ALA A 4 11.220 14.710 3.348 1.00 0.00 C ATOM 48 O ALA A 4 11.797 15.281 4.275 1.00 0.00 O ATOM 49 CB ALA A 4 11.196 16.598 1.707 1.00 0.00 C ATOM 0 H ALA A 4 8.303 15.695 2.640 1.00 0.00 H new ATOM 0 HA ALA A 4 10.037 14.803 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.076 16.164 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.594 17.110 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.510 17.312 2.468 1.00 0.00 H new ATOM 55 N ARG A 5 11.293 13.397 3.146 1.00 0.00 N ATOM 56 CA ARG A 5 12.072 12.524 4.020 1.00 0.00 C ATOM 57 C ARG A 5 11.942 11.068 3.579 1.00 0.00 C ATOM 58 O ARG A 5 11.291 10.265 4.247 1.00 0.00 O ATOM 59 CB ARG A 5 11.608 12.671 5.471 1.00 0.00 C ATOM 60 CG ARG A 5 10.117 12.441 5.660 1.00 0.00 C ATOM 61 CD ARG A 5 9.596 13.141 6.905 1.00 0.00 C ATOM 62 NE ARG A 5 9.777 12.330 8.106 1.00 0.00 N ATOM 63 CZ ARG A 5 8.992 11.306 8.434 1.00 0.00 C ATOM 64 NH1 ARG A 5 7.971 10.966 7.656 1.00 0.00 N ATOM 65 NH2 ARG A 5 9.226 10.619 9.544 1.00 0.00 N ATOM 0 H ARG A 5 10.821 12.913 2.382 1.00 0.00 H new ATOM 0 HA ARG A 5 13.119 12.819 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.158 11.964 6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.861 13.671 5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.578 12.805 4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.920 11.372 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.113 14.092 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.538 13.368 6.777 1.00 0.00 H new ATOM 0 HE ARG A 5 10.550 12.562 8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.784 11.490 6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.373 10.180 7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.008 10.875 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.624 9.835 9.795 1.00 0.00 H new ATOM 79 N SER A 6 12.557 10.737 2.447 1.00 0.00 N ATOM 80 CA SER A 6 12.500 9.380 1.912 1.00 0.00 C ATOM 81 C SER A 6 11.057 8.998 1.595 1.00 0.00 C ATOM 82 O SER A 6 10.613 9.110 0.452 1.00 0.00 O ATOM 83 CB SER A 6 13.108 8.386 2.906 1.00 0.00 C ATOM 84 OG SER A 6 12.851 7.049 2.513 1.00 0.00 O ATOM 0 H SER A 6 13.101 11.390 1.882 1.00 0.00 H new ATOM 0 HA SER A 6 13.081 9.345 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.184 8.548 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.695 8.562 3.899 1.00 0.00 H new ATOM 0 HG SER A 6 13.251 6.434 3.163 1.00 0.00 H new ATOM 90 N ILE A 7 10.322 8.567 2.615 1.00 0.00 N ATOM 91 CA ILE A 7 8.925 8.195 2.446 1.00 0.00 C ATOM 92 C ILE A 7 8.028 9.389 2.744 1.00 0.00 C ATOM 93 O ILE A 7 8.174 10.037 3.781 1.00 0.00 O ATOM 94 CB ILE A 7 8.533 7.022 3.369 1.00 0.00 C ATOM 95 CG1 ILE A 7 7.097 6.577 3.080 1.00 0.00 C ATOM 96 CG2 ILE A 7 8.689 7.416 4.832 1.00 0.00 C ATOM 97 CD1 ILE A 7 6.677 5.347 3.855 1.00 0.00 C ATOM 0 H ILE A 7 10.673 8.467 3.568 1.00 0.00 H new ATOM 0 HA ILE A 7 8.792 7.877 1.412 1.00 0.00 H new ATOM 0 HB ILE A 7 9.202 6.185 3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.417 7.395 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.995 6.377 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.408 6.576 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.727 7.687 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.044 8.267 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.649 5.090 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.333 4.515 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.746 5.549 4.924 1.00 0.00 H new ATOM 109 N SER A 8 7.106 9.689 1.836 1.00 0.00 N ATOM 110 CA SER A 8 6.208 10.824 2.030 1.00 0.00 C ATOM 111 C SER A 8 4.771 10.424 1.761 1.00 0.00 C ATOM 112 O SER A 8 4.505 9.591 0.909 1.00 0.00 O ATOM 113 CB SER A 8 6.606 11.988 1.121 1.00 0.00 C ATOM 114 OG SER A 8 7.574 12.815 1.746 1.00 0.00 O ATOM 0 H SER A 8 6.961 9.171 0.969 1.00 0.00 H new ATOM 0 HA SER A 8 6.292 11.146 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.004 11.601 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.724 12.578 0.873 1.00 0.00 H new ATOM 0 HG SER A 8 7.813 13.551 1.144 1.00 0.00 H new ATOM 120 N TYR A 9 3.841 11.007 2.498 1.00 0.00 N ATOM 121 CA TYR A 9 2.442 10.676 2.323 1.00 0.00 C ATOM 122 C TYR A 9 1.605 11.929 2.191 1.00 0.00 C ATOM 123 O TYR A 9 2.016 13.004 2.627 1.00 0.00 O ATOM 124 CB TYR A 9 1.976 9.832 3.480 1.00 0.00 C ATOM 125 CG TYR A 9 2.257 10.440 4.822 1.00 0.00 C ATOM 126 CD1 TYR A 9 3.459 10.207 5.480 1.00 0.00 C ATOM 127 CD2 TYR A 9 1.320 11.246 5.432 1.00 0.00 C ATOM 128 CE1 TYR A 9 3.712 10.767 6.716 1.00 0.00 C ATOM 129 CE2 TYR A 9 1.562 11.808 6.661 1.00 0.00 C ATOM 130 CZ TYR A 9 2.758 11.569 7.304 1.00 0.00 C ATOM 131 OH TYR A 9 3.000 12.131 8.536 1.00 0.00 O ATOM 0 H TYR A 9 4.029 11.706 3.217 1.00 0.00 H new ATOM 0 HA TYR A 9 2.323 10.106 1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.903 9.662 3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.459 8.857 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.206 9.579 5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.381 11.439 4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.649 10.578 7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.816 12.437 7.124 1.00 0.00 H new ATOM 0 HH TYR A 9 2.227 12.669 8.808 1.00 0.00 H new ATOM 141 N ILE A 10 0.450 11.809 1.547 1.00 0.00 N ATOM 142 CA ILE A 10 -0.387 12.983 1.333 1.00 0.00 C ATOM 143 C ILE A 10 -1.812 12.789 1.848 1.00 0.00 C ATOM 144 O ILE A 10 -2.433 11.757 1.616 1.00 0.00 O ATOM 145 CB ILE A 10 -0.380 13.356 -0.172 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.595 14.514 -0.410 1.00 0.00 C ATOM 147 CG2 ILE A 10 -1.772 13.696 -0.695 1.00 0.00 C ATOM 148 CD1 ILE A 10 0.683 14.958 -1.852 1.00 0.00 C ATOM 0 H ILE A 10 0.079 10.936 1.173 1.00 0.00 H new ATOM 0 HA ILE A 10 0.034 13.805 1.911 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.047 12.482 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.291 15.363 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.587 14.215 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.711 13.950 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.429 12.836 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.172 14.545 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.393 15.780 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.018 14.124 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.298 15.290 -2.191 1.00 0.00 H new ATOM 160 N THR A 11 -2.315 13.810 2.546 1.00 0.00 N ATOM 161 CA THR A 11 -3.667 13.784 3.097 1.00 0.00 C ATOM 162 C THR A 11 -4.651 14.459 2.141 1.00 0.00 C ATOM 163 O THR A 11 -4.246 15.068 1.152 1.00 0.00 O ATOM 164 CB THR A 11 -3.704 14.470 4.467 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.397 14.604 4.997 1.00 0.00 O ATOM 166 CG2 THR A 11 -4.538 13.724 5.486 1.00 0.00 C ATOM 0 H THR A 11 -1.801 14.669 2.742 1.00 0.00 H new ATOM 0 HA THR A 11 -3.964 12.743 3.222 1.00 0.00 H new ATOM 0 HB THR A 11 -4.160 15.444 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.451 14.896 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.522 14.263 6.433 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.565 13.647 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.128 12.724 5.630 1.00 0.00 H new ATOM 174 N SER A 12 -5.946 14.326 2.445 1.00 0.00 N ATOM 175 CA SER A 12 -7.026 14.898 1.627 1.00 0.00 C ATOM 176 C SER A 12 -6.555 16.054 0.739 1.00 0.00 C ATOM 177 O SER A 12 -6.329 15.873 -0.458 1.00 0.00 O ATOM 178 CB SER A 12 -8.166 15.375 2.529 1.00 0.00 C ATOM 179 OG SER A 12 -9.148 16.076 1.784 1.00 0.00 O ATOM 0 H SER A 12 -6.278 13.819 3.265 1.00 0.00 H new ATOM 0 HA SER A 12 -7.373 14.105 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.624 14.519 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.769 16.022 3.311 1.00 0.00 H new ATOM 0 HG SER A 12 -9.866 16.369 2.383 1.00 0.00 H new ATOM 185 N THR A 13 -6.417 17.240 1.326 1.00 0.00 N ATOM 186 CA THR A 13 -5.982 18.416 0.576 1.00 0.00 C ATOM 187 C THR A 13 -4.597 18.223 0.002 1.00 0.00 C ATOM 188 O THR A 13 -4.325 18.657 -1.111 1.00 0.00 O ATOM 189 CB THR A 13 -6.007 19.669 1.443 1.00 0.00 C ATOM 190 OG1 THR A 13 -5.318 19.453 2.661 1.00 0.00 O ATOM 191 CG2 THR A 13 -7.405 20.143 1.777 1.00 0.00 C ATOM 0 H THR A 13 -6.599 17.412 2.315 1.00 0.00 H new ATOM 0 HA THR A 13 -6.686 18.545 -0.246 1.00 0.00 H new ATOM 0 HB THR A 13 -5.517 20.439 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.345 20.270 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.347 21.038 2.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.941 20.373 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.935 19.360 2.320 1.00 0.00 H new ATOM 199 N GLN A 14 -3.721 17.552 0.742 1.00 0.00 N ATOM 200 CA GLN A 14 -2.372 17.302 0.245 1.00 0.00 C ATOM 201 C GLN A 14 -2.457 16.546 -1.076 1.00 0.00 C ATOM 202 O GLN A 14 -1.498 16.510 -1.845 1.00 0.00 O ATOM 203 CB GLN A 14 -1.535 16.520 1.265 1.00 0.00 C ATOM 204 CG GLN A 14 -1.927 16.770 2.714 1.00 0.00 C ATOM 205 CD GLN A 14 -0.768 16.599 3.677 1.00 0.00 C ATOM 206 OE1 GLN A 14 0.351 16.286 3.271 1.00 0.00 O ATOM 207 NE2 GLN A 14 -1.031 16.804 4.963 1.00 0.00 N ATOM 0 H GLN A 14 -3.914 17.177 1.671 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.874 18.258 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.627 15.455 1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.485 16.781 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.325 17.780 2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.728 16.085 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.973 17.062 5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.291 16.703 5.657 1.00 0.00 H new ATOM 216 N LEU A 15 -3.636 15.991 -1.358 1.00 0.00 N ATOM 217 CA LEU A 15 -3.870 15.296 -2.606 1.00 0.00 C ATOM 218 C LEU A 15 -3.942 16.309 -3.743 1.00 0.00 C ATOM 219 O LEU A 15 -3.577 16.006 -4.878 1.00 0.00 O ATOM 220 CB LEU A 15 -5.169 14.488 -2.536 1.00 0.00 C ATOM 221 CG LEU A 15 -5.221 13.264 -3.454 1.00 0.00 C ATOM 222 CD1 LEU A 15 -6.411 12.385 -3.102 1.00 0.00 C ATOM 223 CD2 LEU A 15 -5.287 13.696 -4.911 1.00 0.00 C ATOM 0 H LEU A 15 -4.441 16.014 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.047 14.604 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.319 14.159 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.002 15.146 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.310 12.683 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.433 11.520 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.322 12.049 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.332 12.955 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.323 12.814 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.181 14.298 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.404 14.286 -5.156 1.00 0.00 H new ATOM 235 N LEU A 16 -4.410 17.527 -3.435 1.00 0.00 N ATOM 236 CA LEU A 16 -4.508 18.569 -4.454 1.00 0.00 C ATOM 237 C LEU A 16 -3.128 18.909 -5.030 1.00 0.00 C ATOM 238 O LEU A 16 -2.936 18.898 -6.246 1.00 0.00 O ATOM 239 CB LEU A 16 -5.152 19.828 -3.867 1.00 0.00 C ATOM 240 CG LEU A 16 -6.613 20.049 -4.263 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.544 19.525 -3.181 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.875 21.524 -4.526 1.00 0.00 C ATOM 0 H LEU A 16 -4.720 17.807 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.134 18.190 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.089 19.777 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.571 20.695 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.809 19.496 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.579 19.691 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.374 18.458 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.348 20.050 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.919 21.664 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.662 22.098 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.232 21.869 -5.336 1.00 0.00 H new ATOM 254 N PRO A 17 -2.148 19.223 -4.157 1.00 0.00 N ATOM 255 CA PRO A 17 -0.787 19.572 -4.564 1.00 0.00 C ATOM 256 C PRO A 17 -0.272 18.762 -5.752 1.00 0.00 C ATOM 257 O PRO A 17 -0.043 19.321 -6.824 1.00 0.00 O ATOM 258 CB PRO A 17 0.024 19.267 -3.311 1.00 0.00 C ATOM 259 CG PRO A 17 -0.906 19.572 -2.189 1.00 0.00 C ATOM 260 CD PRO A 17 -2.298 19.276 -2.693 1.00 0.00 C ATOM 0 HA PRO A 17 -0.722 20.604 -4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.346 18.226 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.924 19.880 -3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.672 18.964 -1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.817 20.615 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.673 18.332 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.004 20.051 -2.393 1.00 0.00 H new ATOM 268 N LEU A 18 -0.083 17.450 -5.571 1.00 0.00 N ATOM 269 CA LEU A 18 0.415 16.607 -6.662 1.00 0.00 C ATOM 270 C LEU A 18 0.795 15.207 -6.187 1.00 0.00 C ATOM 271 O LEU A 18 1.963 14.928 -5.919 1.00 0.00 O ATOM 272 CB LEU A 18 1.637 17.254 -7.325 1.00 0.00 C ATOM 273 CG LEU A 18 2.689 17.797 -6.352 1.00 0.00 C ATOM 274 CD1 LEU A 18 4.078 17.313 -6.738 1.00 0.00 C ATOM 275 CD2 LEU A 18 2.644 19.317 -6.311 1.00 0.00 C ATOM 0 H LEU A 18 -0.263 16.957 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.399 16.515 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.111 16.519 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.297 18.071 -7.962 1.00 0.00 H new ATOM 0 HG LEU A 18 2.461 17.419 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.810 17.710 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.104 16.224 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.317 17.658 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.398 19.685 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.845 19.714 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.657 19.643 -5.983 1.00 0.00 H new ATOM 287 N HIS A 19 -0.191 14.323 -6.113 1.00 0.00 N ATOM 288 CA HIS A 19 0.052 12.943 -5.702 1.00 0.00 C ATOM 289 C HIS A 19 -0.818 11.973 -6.499 1.00 0.00 C ATOM 290 O HIS A 19 -1.621 11.229 -5.936 1.00 0.00 O ATOM 291 CB HIS A 19 -0.194 12.766 -4.204 1.00 0.00 C ATOM 292 CG HIS A 19 1.004 12.254 -3.463 1.00 0.00 C ATOM 293 ND1 HIS A 19 2.281 12.733 -3.672 1.00 0.00 N ATOM 294 CD2 HIS A 19 1.117 11.296 -2.512 1.00 0.00 C ATOM 295 CE1 HIS A 19 3.125 12.094 -2.882 1.00 0.00 C ATOM 296 NE2 HIS A 19 2.444 11.218 -2.168 1.00 0.00 N ATOM 0 H HIS A 19 -1.165 14.534 -6.331 1.00 0.00 H new ATOM 0 HA HIS A 19 1.098 12.717 -5.908 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.495 13.722 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.025 12.076 -4.058 1.00 0.00 H new ATOM 0 HD1 HIS A 19 2.534 13.467 -4.334 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.313 10.704 -2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.191 12.260 -2.829 1.00 0.00 H new ATOM 305 N ARG A 20 -0.646 11.984 -7.816 1.00 0.00 N ATOM 306 CA ARG A 20 -1.408 11.106 -8.696 1.00 0.00 C ATOM 307 C ARG A 20 -0.488 10.410 -9.696 1.00 0.00 C ATOM 308 O ARG A 20 -0.713 10.463 -10.905 1.00 0.00 O ATOM 309 CB ARG A 20 -2.487 11.899 -9.437 1.00 0.00 C ATOM 310 CG ARG A 20 -3.702 11.067 -9.816 1.00 0.00 C ATOM 311 CD ARG A 20 -4.308 10.376 -8.603 1.00 0.00 C ATOM 312 NE ARG A 20 -5.756 10.554 -8.537 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.486 10.289 -7.456 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.908 9.834 -6.352 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.799 10.479 -7.480 1.00 0.00 N ATOM 0 H ARG A 20 0.016 12.592 -8.298 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.889 10.345 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.808 12.732 -8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.054 12.328 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.451 11.707 -10.283 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.416 10.320 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.075 9.312 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.853 10.772 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.236 10.902 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.899 9.686 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.472 9.633 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.248 10.828 -8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.359 10.276 -6.652 1.00 0.00 H new ATOM 329 N ARG A 21 0.551 9.760 -9.180 1.00 0.00 N ATOM 330 CA ARG A 21 1.513 9.055 -10.026 1.00 0.00 C ATOM 331 C ARG A 21 0.878 7.824 -10.678 1.00 0.00 C ATOM 332 O ARG A 21 -0.018 7.204 -10.106 1.00 0.00 O ATOM 333 CB ARG A 21 2.735 8.642 -9.202 1.00 0.00 C ATOM 334 CG ARG A 21 4.035 9.264 -9.686 1.00 0.00 C ATOM 335 CD ARG A 21 4.013 10.779 -9.555 1.00 0.00 C ATOM 336 NE ARG A 21 4.509 11.439 -10.760 1.00 0.00 N ATOM 337 CZ ARG A 21 4.268 12.713 -11.062 1.00 0.00 C ATOM 338 NH1 ARG A 21 3.539 13.468 -10.250 1.00 0.00 N ATOM 339 NH2 ARG A 21 4.756 13.233 -12.179 1.00 0.00 N ATOM 0 H ARG A 21 0.750 9.706 -8.181 1.00 0.00 H new ATOM 0 HA ARG A 21 1.828 9.734 -10.819 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.573 8.923 -8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.830 7.556 -9.228 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.868 8.860 -9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.204 8.991 -10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.995 11.111 -9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.621 11.078 -8.701 1.00 0.00 H new ATOM 0 HE ARG A 21 5.074 10.891 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.160 13.073 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.358 14.443 -10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.316 12.657 -12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.571 14.209 -12.410 1.00 0.00 H new ATOM 353 N PRO A 22 1.339 7.450 -11.888 1.00 0.00 N ATOM 354 CA PRO A 22 0.814 6.289 -12.615 1.00 0.00 C ATOM 355 C PRO A 22 1.252 4.970 -11.983 1.00 0.00 C ATOM 356 O PRO A 22 0.437 4.246 -11.412 1.00 0.00 O ATOM 357 CB PRO A 22 1.409 6.430 -14.027 1.00 0.00 C ATOM 358 CG PRO A 22 2.057 7.777 -14.066 1.00 0.00 C ATOM 359 CD PRO A 22 2.401 8.122 -12.647 1.00 0.00 C ATOM 0 HA PRO A 22 -0.276 6.269 -12.606 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.135 5.641 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.633 6.348 -14.788 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.951 7.760 -14.689 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.384 8.520 -14.494 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.390 7.758 -12.370 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.399 9.199 -12.480 1.00 0.00 H new ATOM 367 N ASN A 23 2.545 4.667 -12.090 1.00 0.00 N ATOM 368 CA ASN A 23 3.102 3.441 -11.527 1.00 0.00 C ATOM 369 C ASN A 23 2.889 3.402 -10.008 1.00 0.00 C ATOM 370 O ASN A 23 3.799 3.698 -9.240 1.00 0.00 O ATOM 371 CB ASN A 23 4.591 3.334 -11.891 1.00 0.00 C ATOM 372 CG ASN A 23 5.523 4.083 -10.968 1.00 0.00 C ATOM 373 OD1 ASN A 23 6.448 3.499 -10.412 1.00 0.00 O ATOM 374 ND2 ASN A 23 5.292 5.377 -10.803 1.00 0.00 N ATOM 0 H ASN A 23 3.228 5.258 -12.564 1.00 0.00 H new ATOM 0 HA ASN A 23 2.584 2.581 -11.951 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.875 2.282 -11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.730 3.706 -12.906 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.895 5.929 -10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.511 5.821 -11.286 1.00 0.00 H new ATOM 381 N ILE A 24 1.672 3.067 -9.574 1.00 0.00 N ATOM 382 CA ILE A 24 1.369 3.033 -8.144 1.00 0.00 C ATOM 383 C ILE A 24 0.566 1.800 -7.721 1.00 0.00 C ATOM 384 O ILE A 24 -0.254 1.277 -8.476 1.00 0.00 O ATOM 385 CB ILE A 24 0.604 4.301 -7.712 1.00 0.00 C ATOM 386 CG1 ILE A 24 0.419 4.325 -6.192 1.00 0.00 C ATOM 387 CG2 ILE A 24 -0.744 4.377 -8.414 1.00 0.00 C ATOM 388 CD1 ILE A 24 0.190 5.712 -5.632 1.00 0.00 C ATOM 0 H ILE A 24 0.892 2.819 -10.183 1.00 0.00 H new ATOM 0 HA ILE A 24 2.336 2.986 -7.643 1.00 0.00 H new ATOM 0 HB ILE A 24 1.192 5.172 -8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.427 3.691 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.301 3.893 -5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.269 5.278 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.591 4.407 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.339 3.501 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.067 5.652 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.046 6.345 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.709 6.140 -6.076 1.00 0.00 H new ATOM 400 N ALA A 25 0.804 1.375 -6.481 1.00 0.00 N ATOM 401 CA ALA A 25 0.118 0.239 -5.879 1.00 0.00 C ATOM 402 C ALA A 25 0.196 0.363 -4.360 1.00 0.00 C ATOM 403 O ALA A 25 1.255 0.665 -3.816 1.00 0.00 O ATOM 404 CB ALA A 25 0.723 -1.077 -6.345 1.00 0.00 C ATOM 0 H ALA A 25 1.485 1.815 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.926 0.244 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.191 -1.907 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.637 -1.153 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.775 -1.115 -6.061 1.00 0.00 H new ATOM 410 N ILE A 26 -0.922 0.161 -3.675 1.00 0.00 N ATOM 411 CA ILE A 26 -0.945 0.293 -2.221 1.00 0.00 C ATOM 412 C ILE A 26 -0.951 -1.064 -1.514 1.00 0.00 C ATOM 413 O ILE A 26 -1.792 -1.916 -1.791 1.00 0.00 O ATOM 414 CB ILE A 26 -2.166 1.109 -1.766 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.269 2.407 -2.571 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.091 1.406 -0.277 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.280 2.340 -3.695 1.00 0.00 C ATOM 0 H ILE A 26 -1.816 -0.092 -4.095 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.030 0.815 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.063 0.517 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.538 3.222 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.290 2.646 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.965 1.984 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.067 0.469 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.187 1.978 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.301 3.293 -4.223 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.001 1.547 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.268 2.131 -3.284 1.00 0.00 H new ATOM 429 N ILE A 27 -0.005 -1.253 -0.596 1.00 0.00 N ATOM 430 CA ILE A 27 0.102 -2.494 0.156 1.00 0.00 C ATOM 431 C ILE A 27 -0.621 -2.397 1.500 1.00 0.00 C ATOM 432 O ILE A 27 -0.573 -1.368 2.174 1.00 0.00 O ATOM 433 CB ILE A 27 1.578 -2.878 0.392 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.679 -4.278 1.001 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.263 -1.853 1.285 1.00 0.00 C ATOM 436 CD1 ILE A 27 1.884 -5.367 -0.029 1.00 0.00 C ATOM 0 H ILE A 27 0.700 -0.556 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.375 -3.270 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 27 2.088 -2.886 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.506 -4.299 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.770 -4.488 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.303 -2.142 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.225 -0.873 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.752 -1.809 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.947 -6.334 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.045 -5.372 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.808 -5.181 -0.576 1.00 0.00 H new ATOM 448 N ASP A 28 -1.282 -3.485 1.879 1.00 0.00 N ATOM 449 CA ASP A 28 -2.011 -3.548 3.138 1.00 0.00 C ATOM 450 C ASP A 28 -1.746 -4.882 3.834 1.00 0.00 C ATOM 451 O ASP A 28 -2.096 -5.942 3.317 1.00 0.00 O ATOM 452 CB ASP A 28 -3.514 -3.351 2.883 1.00 0.00 C ATOM 453 CG ASP A 28 -4.396 -4.184 3.798 1.00 0.00 C ATOM 454 OD1 ASP A 28 -4.506 -5.406 3.567 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.978 -3.612 4.743 1.00 0.00 O ATOM 0 H ASP A 28 -1.327 -4.341 1.327 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.665 -2.748 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.762 -2.297 3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.736 -3.606 1.847 1.00 0.00 H new ATOM 460 N VAL A 29 -1.128 -4.819 5.008 1.00 0.00 N ATOM 461 CA VAL A 29 -0.816 -6.022 5.771 1.00 0.00 C ATOM 462 C VAL A 29 -1.774 -6.184 6.948 1.00 0.00 C ATOM 463 O VAL A 29 -2.291 -5.199 7.475 1.00 0.00 O ATOM 464 CB VAL A 29 0.635 -5.993 6.294 1.00 0.00 C ATOM 465 CG1 VAL A 29 0.795 -4.955 7.396 1.00 0.00 C ATOM 466 CG2 VAL A 29 1.055 -7.371 6.783 1.00 0.00 C ATOM 0 H VAL A 29 -0.833 -3.949 5.452 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.930 -6.870 5.096 1.00 0.00 H new ATOM 0 HB VAL A 29 1.288 -5.709 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.827 -4.954 7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.544 -3.969 7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.129 -5.198 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.081 -7.330 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.395 -7.687 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.990 -8.084 5.961 1.00 0.00 H new ATOM 476 N ARG A 30 -2.006 -7.426 7.358 1.00 0.00 N ATOM 477 CA ARG A 30 -2.901 -7.696 8.475 1.00 0.00 C ATOM 478 C ARG A 30 -2.676 -9.092 9.048 1.00 0.00 C ATOM 479 O ARG A 30 -2.150 -9.232 10.151 1.00 0.00 O ATOM 480 CB ARG A 30 -4.360 -7.536 8.039 1.00 0.00 C ATOM 481 CG ARG A 30 -5.085 -6.404 8.748 1.00 0.00 C ATOM 482 CD ARG A 30 -5.810 -6.898 9.989 1.00 0.00 C ATOM 483 NE ARG A 30 -6.279 -5.796 10.827 1.00 0.00 N ATOM 484 CZ ARG A 30 -7.363 -5.072 10.560 1.00 0.00 C ATOM 485 NH1 ARG A 30 -8.095 -5.332 9.484 1.00 0.00 N ATOM 486 NH2 ARG A 30 -7.720 -4.088 11.374 1.00 0.00 N ATOM 0 H ARG A 30 -1.589 -8.256 6.936 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.680 -6.971 9.259 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.392 -7.360 6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.891 -8.470 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.369 -5.631 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.801 -5.945 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.659 -7.513 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.142 -7.535 10.569 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.744 -5.569 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.828 -6.090 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.925 -4.774 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.164 -3.886 12.205 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.551 -3.533 11.169 1.00 0.00 H new ATOM 500 N ASP A 31 -3.081 -10.116 8.289 1.00 0.00 N ATOM 501 CA ASP A 31 -2.941 -11.518 8.705 1.00 0.00 C ATOM 502 C ASP A 31 -4.045 -12.369 8.085 1.00 0.00 C ATOM 503 O ASP A 31 -3.780 -13.262 7.281 1.00 0.00 O ATOM 504 CB ASP A 31 -2.997 -11.667 10.232 1.00 0.00 C ATOM 505 CG ASP A 31 -1.618 -11.776 10.855 1.00 0.00 C ATOM 506 OD1 ASP A 31 -0.641 -11.335 10.214 1.00 0.00 O ATOM 507 OD2 ASP A 31 -1.515 -12.303 11.983 1.00 0.00 O ATOM 0 H ASP A 31 -3.513 -9.998 7.373 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.966 -11.859 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.518 -10.810 10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.578 -12.553 10.486 1.00 0.00 H new ATOM 512 N GLU A 32 -5.284 -12.086 8.474 1.00 0.00 N ATOM 513 CA GLU A 32 -6.435 -12.825 7.968 1.00 0.00 C ATOM 514 C GLU A 32 -7.253 -11.981 6.996 1.00 0.00 C ATOM 515 O GLU A 32 -8.460 -12.175 6.855 1.00 0.00 O ATOM 516 CB GLU A 32 -7.322 -13.286 9.126 1.00 0.00 C ATOM 517 CG GLU A 32 -6.543 -13.863 10.297 1.00 0.00 C ATOM 518 CD GLU A 32 -7.359 -14.847 11.113 1.00 0.00 C ATOM 519 OE1 GLU A 32 -7.383 -16.042 10.750 1.00 0.00 O ATOM 520 OE2 GLU A 32 -7.975 -14.422 12.112 1.00 0.00 O ATOM 0 H GLU A 32 -5.517 -11.349 9.139 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.059 -13.697 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.916 -12.442 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.021 -14.038 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.648 -14.361 9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.209 -13.050 10.942 1.00 0.00 H new ATOM 527 N GLU A 33 -6.590 -11.049 6.318 1.00 0.00 N ATOM 528 CA GLU A 33 -7.264 -10.188 5.351 1.00 0.00 C ATOM 529 C GLU A 33 -7.943 -11.025 4.270 1.00 0.00 C ATOM 530 O GLU A 33 -8.883 -10.573 3.617 1.00 0.00 O ATOM 531 CB GLU A 33 -6.265 -9.216 4.722 1.00 0.00 C ATOM 532 CG GLU A 33 -6.667 -7.754 4.847 1.00 0.00 C ATOM 533 CD GLU A 33 -7.033 -7.362 6.267 1.00 0.00 C ATOM 534 OE1 GLU A 33 -6.872 -8.202 7.177 1.00 0.00 O ATOM 535 OE2 GLU A 33 -7.481 -6.214 6.469 1.00 0.00 O ATOM 0 H GLU A 33 -5.591 -10.871 6.419 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.030 -9.614 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.291 -9.357 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.149 -9.462 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.846 -7.126 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.515 -7.558 4.191 1.00 0.00 H new ATOM 542 N ARG A 34 -7.466 -12.252 4.094 1.00 0.00 N ATOM 543 CA ARG A 34 -8.034 -13.157 3.105 1.00 0.00 C ATOM 544 C ARG A 34 -9.281 -13.849 3.656 1.00 0.00 C ATOM 545 O ARG A 34 -10.031 -14.477 2.911 1.00 0.00 O ATOM 546 CB ARG A 34 -6.994 -14.198 2.682 1.00 0.00 C ATOM 547 CG ARG A 34 -6.850 -14.337 1.175 1.00 0.00 C ATOM 548 CD ARG A 34 -5.683 -13.515 0.648 1.00 0.00 C ATOM 549 NE ARG A 34 -4.403 -14.196 0.838 1.00 0.00 N ATOM 550 CZ ARG A 34 -3.300 -13.906 0.150 1.00 0.00 C ATOM 551 NH1 ARG A 34 -3.312 -12.950 -0.771 1.00 0.00 N ATOM 552 NH2 ARG A 34 -2.179 -14.574 0.386 1.00 0.00 N ATOM 0 H ARG A 34 -6.687 -12.642 4.624 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.324 -12.573 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.028 -13.928 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.268 -15.165 3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.703 -15.386 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.771 -14.016 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.832 -13.313 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.660 -12.551 1.156 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.352 -14.936 1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.170 -12.431 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.463 -12.734 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.162 -15.309 1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.333 -14.353 -0.140 1.00 0.00 H new ATOM 566 N ASN A 35 -9.496 -13.736 4.969 1.00 0.00 N ATOM 567 CA ASN A 35 -10.650 -14.359 5.609 1.00 0.00 C ATOM 568 C ASN A 35 -11.914 -13.526 5.408 1.00 0.00 C ATOM 569 O ASN A 35 -12.916 -14.028 4.898 1.00 0.00 O ATOM 570 CB ASN A 35 -10.384 -14.565 7.103 1.00 0.00 C ATOM 571 CG ASN A 35 -10.216 -16.028 7.463 1.00 0.00 C ATOM 572 OD1 ASN A 35 -11.045 -16.607 8.164 1.00 0.00 O ATOM 573 ND2 ASN A 35 -9.135 -16.634 6.984 1.00 0.00 N ATOM 0 H ASN A 35 -8.887 -13.221 5.605 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.808 -15.330 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.485 -14.018 7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.209 -14.145 7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.967 -17.618 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.473 -16.115 6.406 1.00 0.00 H new ATOM 580 N TYR A 36 -11.871 -12.253 5.799 1.00 0.00 N ATOM 581 CA TYR A 36 -13.030 -11.381 5.637 1.00 0.00 C ATOM 582 C TYR A 36 -13.305 -11.147 4.152 1.00 0.00 C ATOM 583 O TYR A 36 -14.449 -10.936 3.746 1.00 0.00 O ATOM 584 CB TYR A 36 -12.839 -10.063 6.404 1.00 0.00 C ATOM 585 CG TYR A 36 -12.097 -8.980 5.653 1.00 0.00 C ATOM 586 CD1 TYR A 36 -10.870 -9.230 5.055 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.627 -7.699 5.555 1.00 0.00 C ATOM 588 CE1 TYR A 36 -10.193 -8.233 4.376 1.00 0.00 C ATOM 589 CE2 TYR A 36 -11.957 -6.698 4.880 1.00 0.00 C ATOM 590 CZ TYR A 36 -10.741 -6.970 4.293 1.00 0.00 C ATOM 591 OH TYR A 36 -10.071 -5.974 3.622 1.00 0.00 O ATOM 0 H TYR A 36 -11.057 -11.809 6.224 1.00 0.00 H new ATOM 0 HA TYR A 36 -13.905 -11.870 6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -13.820 -9.680 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -12.302 -10.274 7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.437 -10.217 5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.580 -7.483 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.240 -8.443 3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.384 -5.708 4.813 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.191 -5.124 4.094 1.00 0.00 H new ATOM 601 N ASP A 37 -12.251 -11.232 3.346 1.00 0.00 N ATOM 602 CA ASP A 37 -12.366 -11.081 1.897 1.00 0.00 C ATOM 603 C ASP A 37 -12.980 -9.745 1.485 1.00 0.00 C ATOM 604 O ASP A 37 -13.491 -9.619 0.370 1.00 0.00 O ATOM 605 CB ASP A 37 -13.198 -12.228 1.317 1.00 0.00 C ATOM 606 CG ASP A 37 -12.359 -13.206 0.517 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.701 -14.069 1.136 1.00 0.00 O ATOM 608 OD2 ASP A 37 -12.360 -13.109 -0.728 1.00 0.00 O ATOM 0 H ASP A 37 -11.301 -11.406 3.674 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.353 -11.107 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.695 -12.759 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.981 -11.818 0.678 1.00 0.00 H new ATOM 613 N GLY A 38 -12.924 -8.745 2.360 1.00 0.00 N ATOM 614 CA GLY A 38 -13.475 -7.440 2.017 1.00 0.00 C ATOM 615 C GLY A 38 -13.029 -6.994 0.637 1.00 0.00 C ATOM 616 O GLY A 38 -12.054 -7.525 0.105 1.00 0.00 O ATOM 0 H GLY A 38 -12.512 -8.810 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.564 -7.483 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.160 -6.705 2.758 1.00 0.00 H new ATOM 620 N HIS A 39 -13.732 -6.035 0.040 1.00 0.00 N ATOM 621 CA HIS A 39 -13.368 -5.569 -1.293 1.00 0.00 C ATOM 622 C HIS A 39 -13.133 -4.062 -1.316 1.00 0.00 C ATOM 623 O HIS A 39 -13.697 -3.365 -2.147 1.00 0.00 O ATOM 624 CB HIS A 39 -14.453 -5.952 -2.312 1.00 0.00 C ATOM 625 CG HIS A 39 -13.930 -6.145 -3.700 1.00 0.00 C ATOM 626 ND1 HIS A 39 -14.767 -6.147 -4.789 1.00 0.00 N ATOM 627 CD2 HIS A 39 -12.656 -6.337 -4.120 1.00 0.00 C ATOM 628 CE1 HIS A 39 -13.991 -6.337 -5.841 1.00 0.00 C ATOM 629 NE2 HIS A 39 -12.703 -6.458 -5.485 1.00 0.00 N ATOM 0 H HIS A 39 -14.543 -5.573 0.450 1.00 0.00 H new ATOM 0 HA HIS A 39 -12.433 -6.058 -1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -14.939 -6.871 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -15.217 -5.175 -2.326 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -15.780 -6.027 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.774 -6.385 -3.499 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.348 -6.388 -6.859 1.00 0.00 H new ATOM 637 N ILE A 40 -12.282 -3.566 -0.415 1.00 0.00 N ATOM 638 CA ILE A 40 -11.967 -2.134 -0.365 1.00 0.00 C ATOM 639 C ILE A 40 -11.521 -1.650 -1.747 1.00 0.00 C ATOM 640 O ILE A 40 -11.298 -2.476 -2.619 1.00 0.00 O ATOM 641 CB ILE A 40 -10.846 -1.843 0.664 1.00 0.00 C ATOM 642 CG1 ILE A 40 -9.479 -2.266 0.116 1.00 0.00 C ATOM 643 CG2 ILE A 40 -11.130 -2.558 1.980 1.00 0.00 C ATOM 644 CD1 ILE A 40 -9.426 -3.710 -0.335 1.00 0.00 C ATOM 0 H ILE A 40 -11.801 -4.129 0.286 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.868 -1.603 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 40 -10.826 -0.769 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.219 -1.622 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.724 -2.107 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -10.332 -2.342 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.081 -2.211 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.180 -3.633 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.428 -3.938 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.654 -4.363 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.157 -3.871 -1.127 1.00 0.00 H new ATOM 656 N ALA A 41 -11.392 -0.328 -1.957 1.00 0.00 N ATOM 657 CA ALA A 41 -10.990 0.189 -3.278 1.00 0.00 C ATOM 658 C ALA A 41 -9.498 0.288 -3.380 1.00 0.00 C ATOM 659 O ALA A 41 -8.882 1.002 -2.624 1.00 0.00 O ATOM 660 CB ALA A 41 -11.526 1.593 -3.503 1.00 0.00 C ATOM 0 H ALA A 41 -11.556 0.387 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.392 -0.505 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.214 1.949 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.615 1.579 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.134 2.259 -2.735 1.00 0.00 H new ATOM 666 N GLY A 42 -8.938 -0.439 -4.339 1.00 0.00 N ATOM 667 CA GLY A 42 -7.510 -0.428 -4.553 1.00 0.00 C ATOM 668 C GLY A 42 -6.735 -0.952 -3.365 1.00 0.00 C ATOM 669 O GLY A 42 -7.276 -1.088 -2.267 1.00 0.00 O ATOM 0 H GLY A 42 -9.458 -1.041 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.274 -1.031 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.188 0.590 -4.771 1.00 0.00 H new ATOM 673 N SER A 43 -5.458 -1.241 -3.593 1.00 0.00 N ATOM 674 CA SER A 43 -4.571 -1.750 -2.549 1.00 0.00 C ATOM 675 C SER A 43 -4.755 -3.250 -2.337 1.00 0.00 C ATOM 676 O SER A 43 -5.876 -3.736 -2.186 1.00 0.00 O ATOM 677 CB SER A 43 -4.801 -1.007 -1.230 1.00 0.00 C ATOM 678 OG SER A 43 -3.682 -1.133 -0.371 1.00 0.00 O ATOM 0 H SER A 43 -5.009 -1.130 -4.502 1.00 0.00 H new ATOM 0 HA SER A 43 -3.548 -1.576 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.992 0.047 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.689 -1.403 -0.736 1.00 0.00 H new ATOM 0 HG SER A 43 -3.070 -1.810 -0.729 1.00 0.00 H new ATOM 684 N LEU A 44 -3.639 -3.975 -2.315 1.00 0.00 N ATOM 685 CA LEU A 44 -3.661 -5.418 -2.110 1.00 0.00 C ATOM 686 C LEU A 44 -3.579 -5.744 -0.621 1.00 0.00 C ATOM 687 O LEU A 44 -2.985 -4.995 0.155 1.00 0.00 O ATOM 688 CB LEU A 44 -2.501 -6.079 -2.859 1.00 0.00 C ATOM 689 CG LEU A 44 -2.896 -7.249 -3.762 1.00 0.00 C ATOM 690 CD1 LEU A 44 -1.812 -7.515 -4.795 1.00 0.00 C ATOM 691 CD2 LEU A 44 -3.161 -8.495 -2.933 1.00 0.00 C ATOM 0 H LEU A 44 -2.705 -3.583 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.600 -5.809 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.003 -5.323 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.772 -6.433 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.813 -6.984 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.110 -8.350 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.669 -6.626 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.878 -7.759 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.441 -9.317 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.260 -8.763 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.972 -8.300 -2.232 1.00 0.00 H new ATOM 703 N HIS A 45 -4.184 -6.859 -0.226 1.00 0.00 N ATOM 704 CA HIS A 45 -4.183 -7.274 1.173 1.00 0.00 C ATOM 705 C HIS A 45 -3.379 -8.554 1.373 1.00 0.00 C ATOM 706 O HIS A 45 -3.361 -9.428 0.505 1.00 0.00 O ATOM 707 CB HIS A 45 -5.616 -7.493 1.658 1.00 0.00 C ATOM 708 CG HIS A 45 -6.415 -6.233 1.782 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.925 -4.990 1.447 1.00 0.00 N ATOM 710 CD2 HIS A 45 -7.681 -6.033 2.211 1.00 0.00 C ATOM 711 CE1 HIS A 45 -6.855 -4.078 1.668 1.00 0.00 C ATOM 712 NE2 HIS A 45 -7.931 -4.685 2.132 1.00 0.00 N ATOM 0 H HIS A 45 -4.681 -7.491 -0.854 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.715 -6.479 1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.124 -8.167 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.589 -7.991 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.369 -6.793 2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.752 -3.016 1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.805 -4.228 2.390 1.00 0.00 H new ATOM 721 N TYR A 46 -2.723 -8.662 2.528 1.00 0.00 N ATOM 722 CA TYR A 46 -1.924 -9.843 2.846 1.00 0.00 C ATOM 723 C TYR A 46 -1.312 -9.742 4.246 1.00 0.00 C ATOM 724 O TYR A 46 -1.723 -8.914 5.058 1.00 0.00 O ATOM 725 CB TYR A 46 -0.826 -10.043 1.793 1.00 0.00 C ATOM 726 CG TYR A 46 0.374 -9.132 1.955 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.260 -7.884 2.556 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.625 -9.528 1.504 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.359 -7.060 2.703 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.728 -8.711 1.647 1.00 0.00 C ATOM 731 CZ TYR A 46 2.591 -7.478 2.247 1.00 0.00 C ATOM 732 OH TYR A 46 3.689 -6.660 2.390 1.00 0.00 O ATOM 0 H TYR A 46 -2.729 -7.948 3.256 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.586 -10.709 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.488 -11.079 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.256 -9.884 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.704 -7.553 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.738 -10.493 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.254 -6.093 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.694 -9.036 1.290 1.00 0.00 H new ATOM 0 HH TYR A 46 3.579 -6.102 3.188 1.00 0.00 H new ATOM 742 N ALA A 47 -0.333 -10.601 4.517 1.00 0.00 N ATOM 743 CA ALA A 47 0.347 -10.632 5.810 1.00 0.00 C ATOM 744 C ALA A 47 1.846 -10.851 5.638 1.00 0.00 C ATOM 745 O ALA A 47 2.377 -10.738 4.533 1.00 0.00 O ATOM 746 CB ALA A 47 -0.223 -11.746 6.667 1.00 0.00 C ATOM 0 H ALA A 47 0.011 -11.292 3.850 1.00 0.00 H new ATOM 0 HA ALA A 47 0.187 -9.669 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.289 -11.763 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.288 -11.575 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.080 -12.702 6.163 1.00 0.00 H new ATOM 752 N SER A 48 2.519 -11.199 6.734 1.00 0.00 N ATOM 753 CA SER A 48 3.950 -11.471 6.692 1.00 0.00 C ATOM 754 C SER A 48 4.202 -12.916 6.306 1.00 0.00 C ATOM 755 O SER A 48 5.345 -13.343 6.137 1.00 0.00 O ATOM 756 CB SER A 48 4.614 -11.143 8.030 1.00 0.00 C ATOM 757 OG SER A 48 3.907 -10.126 8.718 1.00 0.00 O ATOM 0 H SER A 48 2.096 -11.298 7.657 1.00 0.00 H new ATOM 0 HA SER A 48 4.396 -10.827 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.657 -12.040 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.642 -10.823 7.860 1.00 0.00 H new ATOM 0 HG SER A 48 3.463 -10.510 9.503 1.00 0.00 H new ATOM 763 N GLY A 49 3.118 -13.641 6.114 1.00 0.00 N ATOM 764 CA GLY A 49 3.215 -15.014 5.680 1.00 0.00 C ATOM 765 C GLY A 49 3.566 -15.048 4.212 1.00 0.00 C ATOM 766 O GLY A 49 4.151 -16.010 3.714 1.00 0.00 O ATOM 0 H GLY A 49 2.166 -13.302 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.975 -15.538 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.270 -15.530 5.852 1.00 0.00 H new ATOM 770 N SER A 50 3.222 -13.954 3.532 1.00 0.00 N ATOM 771 CA SER A 50 3.508 -13.793 2.122 1.00 0.00 C ATOM 772 C SER A 50 4.983 -13.541 1.912 1.00 0.00 C ATOM 773 O SER A 50 5.497 -13.718 0.808 1.00 0.00 O ATOM 774 CB SER A 50 2.695 -12.635 1.545 1.00 0.00 C ATOM 775 OG SER A 50 1.320 -12.767 1.863 1.00 0.00 O ATOM 0 H SER A 50 2.738 -13.160 3.951 1.00 0.00 H new ATOM 0 HA SER A 50 3.230 -14.712 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.073 -11.691 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.819 -12.603 0.463 1.00 0.00 H new ATOM 0 HG SER A 50 0.784 -12.660 1.049 1.00 0.00 H new ATOM 781 N PHE A 51 5.664 -13.094 2.962 1.00 0.00 N ATOM 782 CA PHE A 51 7.079 -12.792 2.847 1.00 0.00 C ATOM 783 C PHE A 51 7.240 -11.614 1.935 1.00 0.00 C ATOM 784 O PHE A 51 8.142 -11.566 1.100 1.00 0.00 O ATOM 785 CB PHE A 51 7.867 -14.000 2.335 1.00 0.00 C ATOM 786 CG PHE A 51 8.496 -14.807 3.435 1.00 0.00 C ATOM 787 CD1 PHE A 51 7.849 -14.964 4.651 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.731 -15.407 3.255 1.00 0.00 C ATOM 789 CE1 PHE A 51 8.423 -15.704 5.667 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.312 -16.148 4.268 1.00 0.00 C ATOM 791 CZ PHE A 51 9.657 -16.297 5.476 1.00 0.00 C ATOM 0 H PHE A 51 5.264 -12.936 3.887 1.00 0.00 H new ATOM 0 HA PHE A 51 7.481 -12.551 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.201 -14.642 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.646 -13.655 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.885 -14.502 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.246 -15.295 2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.908 -15.819 6.609 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.276 -16.610 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.108 -16.875 6.269 1.00 0.00 H new ATOM 801 N ASP A 52 6.303 -10.680 2.074 1.00 0.00 N ATOM 802 CA ASP A 52 6.285 -9.499 1.230 1.00 0.00 C ATOM 803 C ASP A 52 5.834 -9.939 -0.140 1.00 0.00 C ATOM 804 O ASP A 52 6.060 -9.261 -1.141 1.00 0.00 O ATOM 805 CB ASP A 52 7.676 -8.871 1.154 1.00 0.00 C ATOM 806 CG ASP A 52 7.958 -7.930 2.305 1.00 0.00 C ATOM 807 OD1 ASP A 52 7.088 -7.794 3.191 1.00 0.00 O ATOM 808 OD2 ASP A 52 9.048 -7.323 2.315 1.00 0.00 O ATOM 0 H ASP A 52 5.551 -10.722 2.762 1.00 0.00 H new ATOM 0 HA ASP A 52 5.610 -8.747 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.427 -9.661 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.774 -8.328 0.214 1.00 0.00 H new ATOM 813 N ASP A 53 5.236 -11.132 -0.173 1.00 0.00 N ATOM 814 CA ASP A 53 4.795 -11.729 -1.414 1.00 0.00 C ATOM 815 C ASP A 53 5.916 -11.594 -2.421 1.00 0.00 C ATOM 816 O ASP A 53 5.687 -11.417 -3.618 1.00 0.00 O ATOM 817 CB ASP A 53 3.513 -11.063 -1.915 1.00 0.00 C ATOM 818 CG ASP A 53 3.020 -11.657 -3.220 1.00 0.00 C ATOM 819 OD1 ASP A 53 2.603 -12.835 -3.217 1.00 0.00 O ATOM 820 OD2 ASP A 53 3.047 -10.945 -4.245 1.00 0.00 O ATOM 0 H ASP A 53 5.050 -11.698 0.655 1.00 0.00 H new ATOM 0 HA ASP A 53 4.562 -12.783 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.736 -11.163 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.691 -9.996 -2.050 1.00 0.00 H new ATOM 825 N LYS A 54 7.148 -11.650 -1.906 1.00 0.00 N ATOM 826 CA LYS A 54 8.319 -11.501 -2.757 1.00 0.00 C ATOM 827 C LYS A 54 8.337 -10.089 -3.361 1.00 0.00 C ATOM 828 O LYS A 54 8.352 -9.913 -4.576 1.00 0.00 O ATOM 829 CB LYS A 54 8.323 -12.562 -3.864 1.00 0.00 C ATOM 830 CG LYS A 54 7.689 -13.885 -3.455 1.00 0.00 C ATOM 831 CD LYS A 54 8.297 -14.424 -2.167 1.00 0.00 C ATOM 832 CE LYS A 54 8.641 -15.902 -2.283 1.00 0.00 C ATOM 833 NZ LYS A 54 10.003 -16.197 -1.758 1.00 0.00 N ATOM 0 H LYS A 54 7.353 -11.796 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 54 9.216 -11.643 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.793 -12.169 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.352 -12.744 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.616 -13.749 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.821 -14.615 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.197 -13.859 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.597 -14.277 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.905 -16.490 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.580 -16.208 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.200 -17.214 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.708 -15.655 -2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.054 -15.929 -0.755 1.00 0.00 H new ATOM 847 N ILE A 55 8.315 -9.095 -2.471 1.00 0.00 N ATOM 848 CA ILE A 55 8.308 -7.685 -2.845 1.00 0.00 C ATOM 849 C ILE A 55 9.435 -7.360 -3.813 1.00 0.00 C ATOM 850 O ILE A 55 9.198 -7.028 -4.968 1.00 0.00 O ATOM 851 CB ILE A 55 8.427 -6.798 -1.576 1.00 0.00 C ATOM 852 CG1 ILE A 55 7.049 -6.398 -1.059 1.00 0.00 C ATOM 853 CG2 ILE A 55 9.259 -5.550 -1.813 1.00 0.00 C ATOM 854 CD1 ILE A 55 7.078 -5.945 0.383 1.00 0.00 C ATOM 0 H ILE A 55 8.301 -9.250 -1.463 1.00 0.00 H new ATOM 0 HA ILE A 55 7.363 -7.476 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 55 8.937 -7.404 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.651 -5.596 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.369 -7.244 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.310 -4.966 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.266 -5.836 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.800 -4.950 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.071 -5.672 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.449 -6.755 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.735 -5.081 0.480 1.00 0.00 H new ATOM 866 N SER A 56 10.661 -7.444 -3.330 1.00 0.00 N ATOM 867 CA SER A 56 11.801 -7.140 -4.174 1.00 0.00 C ATOM 868 C SER A 56 12.017 -8.190 -5.246 1.00 0.00 C ATOM 869 O SER A 56 12.851 -8.026 -6.133 1.00 0.00 O ATOM 870 CB SER A 56 13.078 -6.828 -3.393 1.00 0.00 C ATOM 871 OG SER A 56 13.572 -5.543 -3.729 1.00 0.00 O ATOM 0 H SER A 56 10.891 -7.715 -2.374 1.00 0.00 H new ATOM 0 HA SER A 56 11.546 -6.212 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.876 -6.877 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.835 -7.582 -3.609 1.00 0.00 H new ATOM 0 HG SER A 56 14.289 -5.296 -3.109 1.00 0.00 H new ATOM 877 N HIS A 57 11.238 -9.249 -5.189 1.00 0.00 N ATOM 878 CA HIS A 57 11.321 -10.285 -6.198 1.00 0.00 C ATOM 879 C HIS A 57 10.710 -9.741 -7.477 1.00 0.00 C ATOM 880 O HIS A 57 11.261 -9.901 -8.567 1.00 0.00 O ATOM 881 CB HIS A 57 10.591 -11.553 -5.761 1.00 0.00 C ATOM 882 CG HIS A 57 10.666 -12.658 -6.768 1.00 0.00 C ATOM 883 ND1 HIS A 57 11.777 -13.460 -6.926 1.00 0.00 N ATOM 884 CD2 HIS A 57 9.759 -13.092 -7.675 1.00 0.00 C ATOM 885 CE1 HIS A 57 11.550 -14.337 -7.886 1.00 0.00 C ATOM 886 NE2 HIS A 57 10.333 -14.136 -8.356 1.00 0.00 N ATOM 0 H HIS A 57 10.544 -9.416 -4.460 1.00 0.00 H new ATOM 0 HA HIS A 57 12.365 -10.556 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.014 -11.901 -4.819 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.544 -11.314 -5.572 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.769 -12.691 -7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.243 -15.091 -8.229 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.891 -14.670 -9.104 1.00 0.00 H new ATOM 895 N LEU A 58 9.603 -9.009 -7.324 1.00 0.00 N ATOM 896 CA LEU A 58 8.999 -8.382 -8.481 1.00 0.00 C ATOM 897 C LEU A 58 9.850 -7.180 -8.801 1.00 0.00 C ATOM 898 O LEU A 58 9.840 -6.660 -9.916 1.00 0.00 O ATOM 899 CB LEU A 58 7.494 -8.049 -8.310 1.00 0.00 C ATOM 900 CG LEU A 58 7.066 -6.960 -7.303 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.846 -7.558 -5.925 1.00 0.00 C ATOM 902 CD2 LEU A 58 8.049 -5.802 -7.242 1.00 0.00 C ATOM 0 H LEU A 58 9.127 -8.845 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 58 8.985 -9.079 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.111 -7.758 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.985 -8.971 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 58 6.121 -6.551 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.545 -6.773 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.064 -8.315 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.771 -8.016 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.699 -5.066 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.028 -6.172 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.125 -5.337 -8.225 1.00 0.00 H new ATOM 914 N VAL A 59 10.659 -6.798 -7.808 1.00 0.00 N ATOM 915 CA VAL A 59 11.600 -5.716 -7.983 1.00 0.00 C ATOM 916 C VAL A 59 12.715 -6.211 -8.899 1.00 0.00 C ATOM 917 O VAL A 59 13.241 -5.467 -9.727 1.00 0.00 O ATOM 918 CB VAL A 59 12.226 -5.263 -6.649 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.341 -4.284 -6.902 1.00 0.00 C ATOM 920 CG2 VAL A 59 11.193 -4.666 -5.701 1.00 0.00 C ATOM 0 H VAL A 59 10.672 -7.227 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 59 11.069 -4.863 -8.405 1.00 0.00 H new ATOM 0 HB VAL A 59 12.632 -6.149 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.774 -3.972 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.109 -4.758 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.948 -3.412 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.682 -4.362 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.729 -3.798 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.429 -5.411 -5.480 1.00 0.00 H new ATOM 930 N GLN A 60 13.063 -7.490 -8.726 1.00 0.00 N ATOM 931 CA GLN A 60 14.109 -8.121 -9.517 1.00 0.00 C ATOM 932 C GLN A 60 13.673 -8.284 -10.960 1.00 0.00 C ATOM 933 O GLN A 60 14.500 -8.462 -11.854 1.00 0.00 O ATOM 934 CB GLN A 60 14.527 -9.467 -8.897 1.00 0.00 C ATOM 935 CG GLN A 60 13.720 -10.676 -9.358 1.00 0.00 C ATOM 936 CD GLN A 60 14.598 -11.809 -9.855 1.00 0.00 C ATOM 937 OE1 GLN A 60 15.807 -11.650 -10.021 1.00 0.00 O ATOM 938 NE2 GLN A 60 13.988 -12.964 -10.098 1.00 0.00 N ATOM 0 H GLN A 60 12.629 -8.107 -8.039 1.00 0.00 H new ATOM 0 HA GLN A 60 14.983 -7.469 -9.510 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.578 -9.643 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.447 -9.389 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.105 -11.034 -8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.040 -10.372 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.983 -13.052 -9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.525 -13.763 -10.436 1.00 0.00 H new ATOM 947 N ASN A 61 12.372 -8.210 -11.183 1.00 0.00 N ATOM 948 CA ASN A 61 11.837 -8.339 -12.532 1.00 0.00 C ATOM 949 C ASN A 61 12.286 -7.170 -13.419 1.00 0.00 C ATOM 950 O ASN A 61 12.149 -7.220 -14.641 1.00 0.00 O ATOM 951 CB ASN A 61 10.315 -8.431 -12.479 1.00 0.00 C ATOM 952 CG ASN A 61 9.844 -9.714 -11.816 1.00 0.00 C ATOM 953 OD1 ASN A 61 8.782 -10.240 -12.148 1.00 0.00 O ATOM 954 ND2 ASN A 61 10.632 -10.232 -10.870 1.00 0.00 N ATOM 0 H ASN A 61 11.671 -8.063 -10.457 1.00 0.00 H new ATOM 0 HA ASN A 61 12.228 -9.255 -12.975 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.919 -7.575 -11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.913 -8.377 -13.491 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.361 -11.093 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.505 -9.767 -10.622 1.00 0.00 H new ATOM 961 N VAL A 62 12.833 -6.125 -12.792 1.00 0.00 N ATOM 962 CA VAL A 62 13.325 -4.944 -13.506 1.00 0.00 C ATOM 963 C VAL A 62 12.346 -4.458 -14.577 1.00 0.00 C ATOM 964 O VAL A 62 12.746 -3.850 -15.568 1.00 0.00 O ATOM 965 CB VAL A 62 14.701 -5.213 -14.154 1.00 0.00 C ATOM 966 CG1 VAL A 62 14.589 -6.252 -15.261 1.00 0.00 C ATOM 967 CG2 VAL A 62 15.307 -3.919 -14.683 1.00 0.00 C ATOM 0 H VAL A 62 12.947 -6.074 -11.780 1.00 0.00 H new ATOM 0 HA VAL A 62 13.425 -4.159 -12.757 1.00 0.00 H new ATOM 0 HB VAL A 62 15.365 -5.612 -13.387 1.00 0.00 H new ATOM 0 HG11 VAL A 62 15.572 -6.423 -15.701 1.00 0.00 H new ATOM 0 HG12 VAL A 62 14.210 -7.186 -14.846 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.905 -5.892 -16.030 1.00 0.00 H new ATOM 0 HG21 VAL A 62 16.276 -4.129 -15.136 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.643 -3.486 -15.431 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.436 -3.215 -13.861 1.00 0.00 H new ATOM 977 N LYS A 63 11.064 -4.715 -14.358 1.00 0.00 N ATOM 978 CA LYS A 63 10.019 -4.295 -15.286 1.00 0.00 C ATOM 979 C LYS A 63 8.660 -4.413 -14.613 1.00 0.00 C ATOM 980 O LYS A 63 7.871 -5.301 -14.936 1.00 0.00 O ATOM 981 CB LYS A 63 10.046 -5.147 -16.562 1.00 0.00 C ATOM 982 CG LYS A 63 10.976 -4.626 -17.653 1.00 0.00 C ATOM 983 CD LYS A 63 10.773 -3.140 -17.922 1.00 0.00 C ATOM 984 CE LYS A 63 9.321 -2.819 -18.240 1.00 0.00 C ATOM 985 NZ LYS A 63 9.105 -1.358 -18.438 1.00 0.00 N ATOM 0 H LYS A 63 10.719 -5.216 -13.539 1.00 0.00 H new ATOM 0 HA LYS A 63 10.199 -3.257 -15.564 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.347 -6.161 -16.300 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.035 -5.209 -16.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.011 -4.802 -17.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.805 -5.186 -18.572 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.090 -2.566 -17.051 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.405 -2.831 -18.755 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.019 -3.356 -19.139 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.685 -3.173 -17.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.103 -1.181 -18.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.369 -0.847 -17.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.693 -1.024 -19.229 1.00 0.00 H new ATOM 999 N ASP A 64 8.402 -3.530 -13.654 1.00 0.00 N ATOM 1000 CA ASP A 64 7.149 -3.564 -12.916 1.00 0.00 C ATOM 1001 C ASP A 64 6.424 -2.221 -12.924 1.00 0.00 C ATOM 1002 O ASP A 64 5.193 -2.187 -12.933 1.00 0.00 O ATOM 1003 CB ASP A 64 7.406 -4.000 -11.473 1.00 0.00 C ATOM 1004 CG ASP A 64 6.194 -4.654 -10.838 1.00 0.00 C ATOM 1005 OD1 ASP A 64 5.293 -5.088 -11.587 1.00 0.00 O ATOM 1006 OD2 ASP A 64 6.146 -4.731 -9.593 1.00 0.00 O ATOM 0 H ASP A 64 9.041 -2.787 -13.372 1.00 0.00 H new ATOM 0 HA ASP A 64 6.503 -4.284 -13.418 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.244 -4.697 -11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.698 -3.132 -10.881 1.00 0.00 H new ATOM 1011 N LYS A 65 7.166 -1.111 -12.892 1.00 0.00 N ATOM 1012 CA LYS A 65 6.525 0.203 -12.867 1.00 0.00 C ATOM 1013 C LYS A 65 5.637 0.268 -11.642 1.00 0.00 C ATOM 1014 O LYS A 65 4.467 -0.114 -11.684 1.00 0.00 O ATOM 1015 CB LYS A 65 5.720 0.399 -14.151 1.00 0.00 C ATOM 1016 CG LYS A 65 4.590 1.415 -14.086 1.00 0.00 C ATOM 1017 CD LYS A 65 3.651 1.277 -15.275 1.00 0.00 C ATOM 1018 CE LYS A 65 3.821 2.426 -16.257 1.00 0.00 C ATOM 1019 NZ LYS A 65 3.025 2.221 -17.498 1.00 0.00 N ATOM 0 H LYS A 65 8.186 -1.095 -12.883 1.00 0.00 H new ATOM 0 HA LYS A 65 7.265 1.001 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.406 0.700 -14.943 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.299 -0.563 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.030 1.280 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.005 2.423 -14.063 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.842 0.332 -15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.620 1.247 -14.924 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.517 3.358 -15.781 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.875 2.529 -16.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.169 3.026 -18.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.332 1.345 -17.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.016 2.148 -17.255 1.00 0.00 H new ATOM 1033 N ASP A 66 6.214 0.698 -10.535 1.00 0.00 N ATOM 1034 CA ASP A 66 5.463 0.742 -9.288 1.00 0.00 C ATOM 1035 C ASP A 66 5.978 1.700 -8.228 1.00 0.00 C ATOM 1036 O ASP A 66 7.157 1.727 -7.903 1.00 0.00 O ATOM 1037 CB ASP A 66 5.407 -0.657 -8.682 1.00 0.00 C ATOM 1038 CG ASP A 66 4.371 -1.540 -9.346 1.00 0.00 C ATOM 1039 OD1 ASP A 66 3.260 -1.044 -9.628 1.00 0.00 O ATOM 1040 OD2 ASP A 66 4.669 -2.730 -9.583 1.00 0.00 O ATOM 0 H ASP A 66 7.181 1.017 -10.470 1.00 0.00 H new ATOM 0 HA ASP A 66 4.482 1.121 -9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.387 -1.126 -8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.184 -0.579 -7.618 1.00 0.00 H new ATOM 1045 N THR A 67 5.016 2.374 -7.610 1.00 0.00 N ATOM 1046 CA THR A 67 5.241 3.242 -6.466 1.00 0.00 C ATOM 1047 C THR A 67 4.408 2.608 -5.371 1.00 0.00 C ATOM 1048 O THR A 67 3.258 2.266 -5.621 1.00 0.00 O ATOM 1049 CB THR A 67 4.782 4.681 -6.723 1.00 0.00 C ATOM 1050 OG1 THR A 67 3.404 4.727 -7.038 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.531 5.362 -7.844 1.00 0.00 C ATOM 0 H THR A 67 4.038 2.330 -7.898 1.00 0.00 H new ATOM 0 HA THR A 67 6.300 3.323 -6.221 1.00 0.00 H new ATOM 0 HB THR A 67 4.990 5.212 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.293 4.838 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.154 6.377 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.593 5.397 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.387 4.804 -8.769 1.00 0.00 H new ATOM 1059 N LEU A 68 4.960 2.372 -4.196 1.00 0.00 N ATOM 1060 CA LEU A 68 4.179 1.686 -3.175 1.00 0.00 C ATOM 1061 C LEU A 68 3.680 2.602 -2.079 1.00 0.00 C ATOM 1062 O LEU A 68 4.441 3.351 -1.466 1.00 0.00 O ATOM 1063 CB LEU A 68 4.986 0.538 -2.566 1.00 0.00 C ATOM 1064 CG LEU A 68 4.178 -0.447 -1.718 1.00 0.00 C ATOM 1065 CD1 LEU A 68 2.989 -0.981 -2.505 1.00 0.00 C ATOM 1066 CD2 LEU A 68 5.064 -1.591 -1.245 1.00 0.00 C ATOM 0 H LEU A 68 5.909 2.632 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 68 3.297 1.294 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.470 -0.013 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.779 0.960 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 68 3.799 0.081 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.427 -1.680 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.343 -0.152 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.345 -1.494 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.475 -2.283 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.471 -2.117 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.882 -1.193 -0.644 1.00 0.00 H new ATOM 1078 N VAL A 69 2.386 2.486 -1.808 1.00 0.00 N ATOM 1079 CA VAL A 69 1.749 3.241 -0.752 1.00 0.00 C ATOM 1080 C VAL A 69 1.307 2.258 0.311 1.00 0.00 C ATOM 1081 O VAL A 69 0.650 1.274 -0.002 1.00 0.00 O ATOM 1082 CB VAL A 69 0.532 4.039 -1.261 1.00 0.00 C ATOM 1083 CG1 VAL A 69 0.064 5.029 -0.205 1.00 0.00 C ATOM 1084 CG2 VAL A 69 0.864 4.753 -2.563 1.00 0.00 C ATOM 0 H VAL A 69 1.755 1.866 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 69 2.459 3.966 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.281 3.340 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.796 5.583 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.220 4.490 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.871 5.724 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.008 5.310 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.693 5.441 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.145 4.020 -3.319 1.00 0.00 H new ATOM 1094 N PHE A 70 1.684 2.481 1.556 1.00 0.00 N ATOM 1095 CA PHE A 70 1.321 1.531 2.597 1.00 0.00 C ATOM 1096 C PHE A 70 0.138 2.013 3.410 1.00 0.00 C ATOM 1097 O PHE A 70 -0.113 3.211 3.502 1.00 0.00 O ATOM 1098 CB PHE A 70 2.512 1.286 3.528 1.00 0.00 C ATOM 1099 CG PHE A 70 3.611 0.474 2.906 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.223 0.892 1.735 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.034 -0.708 3.493 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.235 0.146 1.163 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.046 -1.458 2.926 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.647 -1.030 1.758 1.00 0.00 C ATOM 0 H PHE A 70 2.226 3.287 1.868 1.00 0.00 H new ATOM 0 HA PHE A 70 1.039 0.601 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.918 2.247 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.161 0.777 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.905 1.811 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.566 -1.047 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.704 0.483 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.367 -2.377 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.438 -1.614 1.311 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.574 1.044 3.994 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.758 1.293 4.832 1.00 0.00 C ATOM 1116 C HIS A 71 -3.041 0.884 4.096 1.00 0.00 C ATOM 1117 O HIS A 71 -3.200 -0.282 3.734 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.840 2.755 5.302 1.00 0.00 C ATOM 1119 CG HIS A 71 -0.634 3.227 6.062 1.00 0.00 C ATOM 1120 ND1 HIS A 71 0.530 2.492 6.174 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -0.411 4.380 6.737 1.00 0.00 C ATOM 1122 CE1 HIS A 71 1.413 3.174 6.883 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.868 4.322 7.236 1.00 0.00 N ATOM 0 H HIS A 71 -0.345 0.055 3.899 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.656 0.675 5.724 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.981 3.397 4.432 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.722 2.873 5.932 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.109 5.194 6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.412 2.847 7.131 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.322 5.049 7.789 1.00 0.00 H new ATOM 1132 N SER A 72 -3.955 1.833 3.871 1.00 0.00 N ATOM 1133 CA SER A 72 -5.205 1.540 3.178 1.00 0.00 C ATOM 1134 C SER A 72 -6.101 0.615 4.000 1.00 0.00 C ATOM 1135 O SER A 72 -7.029 0.009 3.460 1.00 0.00 O ATOM 1136 CB SER A 72 -4.921 0.910 1.813 1.00 0.00 C ATOM 1137 OG SER A 72 -5.563 1.631 0.776 1.00 0.00 O ATOM 0 H SER A 72 -3.850 2.806 4.159 1.00 0.00 H new ATOM 0 HA SER A 72 -5.732 2.484 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.846 0.890 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.264 -0.124 1.808 1.00 0.00 H new ATOM 0 HG SER A 72 -6.061 1.009 0.205 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.833 0.504 5.302 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.643 -0.357 6.167 1.00 0.00 C ATOM 1145 C ALA A 73 -6.071 -0.479 7.582 1.00 0.00 C ATOM 1146 O ALA A 73 -6.788 -0.859 8.507 1.00 0.00 O ATOM 1147 CB ALA A 73 -6.796 -1.740 5.545 1.00 0.00 C ATOM 0 H ALA A 73 -5.073 0.992 5.776 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.621 0.116 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.400 -2.368 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.285 -1.651 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.812 -2.191 5.415 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.789 -0.167 7.759 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.169 -0.263 9.076 1.00 0.00 C ATOM 1155 C LEU A 74 -3.276 0.940 9.365 1.00 0.00 C ATOM 1156 O LEU A 74 -2.384 0.868 10.210 1.00 0.00 O ATOM 1157 CB LEU A 74 -3.363 -1.562 9.221 1.00 0.00 C ATOM 1158 CG LEU A 74 -2.959 -2.254 7.915 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -4.176 -2.844 7.221 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -2.230 -1.287 6.997 1.00 0.00 C ATOM 0 H LEU A 74 -4.167 0.151 7.016 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.978 -0.273 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.458 -1.343 9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.948 -2.264 9.815 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.278 -3.070 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.867 -3.331 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.649 -3.576 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.886 -2.049 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.952 -1.799 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.883 -0.446 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.331 -0.921 7.494 1.00 0.00 H new ATOM 1172 N SER A 75 -3.533 2.050 8.679 1.00 0.00 N ATOM 1173 CA SER A 75 -2.760 3.271 8.889 1.00 0.00 C ATOM 1174 C SER A 75 -2.816 3.698 10.355 1.00 0.00 C ATOM 1175 O SER A 75 -1.993 4.488 10.816 1.00 0.00 O ATOM 1176 CB SER A 75 -3.296 4.400 8.002 1.00 0.00 C ATOM 1177 OG SER A 75 -2.973 5.673 8.537 1.00 0.00 O ATOM 0 H SER A 75 -4.267 2.130 7.976 1.00 0.00 H new ATOM 0 HA SER A 75 -1.723 3.067 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.878 4.308 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.378 4.307 7.906 1.00 0.00 H new ATOM 0 HG SER A 75 -3.326 6.374 7.950 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.802 3.172 11.081 1.00 0.00 N ATOM 1184 CA GLN A 76 -3.982 3.496 12.494 1.00 0.00 C ATOM 1185 C GLN A 76 -2.672 3.397 13.273 1.00 0.00 C ATOM 1186 O GLN A 76 -2.407 4.212 14.157 1.00 0.00 O ATOM 1187 CB GLN A 76 -5.024 2.565 13.117 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.735 1.092 12.887 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.980 0.233 12.985 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -6.317 -0.274 14.055 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -6.672 0.065 11.864 1.00 0.00 N ATOM 0 H GLN A 76 -4.491 2.517 10.711 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.328 4.528 12.552 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.074 2.754 14.189 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.005 2.803 12.705 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.285 0.963 11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.003 0.750 13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.356 0.504 10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.519 -0.503 11.868 1.00 0.00 H new ATOM 1200 N VAL A 77 -1.857 2.397 12.948 1.00 0.00 N ATOM 1201 CA VAL A 77 -0.582 2.208 13.636 1.00 0.00 C ATOM 1202 C VAL A 77 0.224 1.049 13.049 1.00 0.00 C ATOM 1203 O VAL A 77 1.453 1.046 13.115 1.00 0.00 O ATOM 1204 CB VAL A 77 -0.793 1.964 15.143 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -1.574 0.679 15.375 1.00 0.00 C ATOM 1206 CG2 VAL A 77 0.541 1.925 15.874 1.00 0.00 C ATOM 0 H VAL A 77 -2.053 1.711 12.220 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.017 3.129 13.492 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.376 2.793 15.545 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.712 0.525 16.445 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.548 0.752 14.890 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.023 -0.163 14.956 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.369 1.752 16.936 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.154 1.120 15.470 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.057 2.876 15.740 1.00 0.00 H new ATOM 1216 N ARG A 78 -0.468 0.060 12.487 1.00 0.00 N ATOM 1217 CA ARG A 78 0.199 -1.099 11.896 1.00 0.00 C ATOM 1218 C ARG A 78 0.778 -0.768 10.526 1.00 0.00 C ATOM 1219 O ARG A 78 1.736 -1.403 10.088 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.760 -2.290 11.793 1.00 0.00 C ATOM 1221 CG ARG A 78 -1.823 -2.321 12.881 1.00 0.00 C ATOM 1222 CD ARG A 78 -2.383 -3.721 13.069 1.00 0.00 C ATOM 1223 NE ARG A 78 -1.583 -4.512 14.002 1.00 0.00 N ATOM 1224 CZ ARG A 78 -1.469 -4.238 15.300 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -2.095 -3.189 15.822 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -0.726 -5.013 16.078 1.00 0.00 N ATOM 0 H ARG A 78 -1.486 0.037 12.428 1.00 0.00 H new ATOM 0 HA ARG A 78 1.023 -1.372 12.556 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.251 -2.266 10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.183 -3.214 11.836 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.395 -1.969 13.820 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.631 -1.636 12.622 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.407 -3.655 13.436 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.422 -4.228 12.105 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.082 -5.322 13.637 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.667 -2.589 15.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.004 -2.984 16.817 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.242 -5.819 15.682 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.638 -4.803 17.072 1.00 0.00 H new ATOM 1240 N GLY A 79 0.200 0.227 9.853 1.00 0.00 N ATOM 1241 CA GLY A 79 0.692 0.620 8.540 1.00 0.00 C ATOM 1242 C GLY A 79 2.213 0.617 8.487 1.00 0.00 C ATOM 1243 O GLY A 79 2.814 -0.071 7.662 1.00 0.00 O ATOM 0 H GLY A 79 -0.597 0.766 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.300 -0.061 7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.321 1.615 8.295 1.00 0.00 H new ATOM 1247 N PRO A 80 2.860 1.369 9.395 1.00 0.00 N ATOM 1248 CA PRO A 80 4.316 1.428 9.473 1.00 0.00 C ATOM 1249 C PRO A 80 4.901 0.030 9.606 1.00 0.00 C ATOM 1250 O PRO A 80 5.953 -0.270 9.040 1.00 0.00 O ATOM 1251 CB PRO A 80 4.586 2.247 10.738 1.00 0.00 C ATOM 1252 CG PRO A 80 3.344 3.042 10.953 1.00 0.00 C ATOM 1253 CD PRO A 80 2.216 2.201 10.425 1.00 0.00 C ATOM 0 HA PRO A 80 4.768 1.867 8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.794 1.600 11.590 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.453 2.895 10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.202 3.265 12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.397 3.997 10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.768 1.592 11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.420 2.816 10.005 1.00 0.00 H new ATOM 1261 N THR A 81 4.194 -0.840 10.332 1.00 0.00 N ATOM 1262 CA THR A 81 4.641 -2.216 10.494 1.00 0.00 C ATOM 1263 C THR A 81 4.688 -2.882 9.128 1.00 0.00 C ATOM 1264 O THR A 81 5.587 -3.669 8.834 1.00 0.00 O ATOM 1265 CB THR A 81 3.709 -2.990 11.425 1.00 0.00 C ATOM 1266 OG1 THR A 81 3.445 -2.252 12.605 1.00 0.00 O ATOM 1267 CG2 THR A 81 4.265 -4.335 11.842 1.00 0.00 C ATOM 0 H THR A 81 3.321 -0.615 10.810 1.00 0.00 H new ATOM 0 HA THR A 81 5.634 -2.217 10.943 1.00 0.00 H new ATOM 0 HB THR A 81 2.797 -3.150 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.845 -2.766 13.185 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.555 -4.833 12.502 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.431 -4.950 10.958 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.209 -4.191 12.367 1.00 0.00 H new ATOM 1275 N CYS A 82 3.725 -2.527 8.279 1.00 0.00 N ATOM 1276 CA CYS A 82 3.677 -3.057 6.925 1.00 0.00 C ATOM 1277 C CYS A 82 4.952 -2.656 6.202 1.00 0.00 C ATOM 1278 O CYS A 82 5.508 -3.421 5.415 1.00 0.00 O ATOM 1279 CB CYS A 82 2.451 -2.528 6.178 1.00 0.00 C ATOM 1280 SG CYS A 82 2.149 -3.335 4.589 1.00 0.00 S ATOM 0 H CYS A 82 2.972 -1.877 8.507 1.00 0.00 H new ATOM 0 HA CYS A 82 3.598 -4.144 6.962 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.572 -2.654 6.810 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.574 -1.458 6.012 1.00 0.00 H new ATOM 0 HG CYS A 82 2.910 -2.802 3.680 1.00 0.00 H new ATOM 1286 N ALA A 83 5.429 -1.453 6.511 1.00 0.00 N ATOM 1287 CA ALA A 83 6.665 -0.965 5.924 1.00 0.00 C ATOM 1288 C ALA A 83 7.823 -1.802 6.441 1.00 0.00 C ATOM 1289 O ALA A 83 8.776 -2.082 5.713 1.00 0.00 O ATOM 1290 CB ALA A 83 6.871 0.508 6.242 1.00 0.00 C ATOM 0 H ALA A 83 4.980 -0.806 7.159 1.00 0.00 H new ATOM 0 HA ALA A 83 6.612 -1.058 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.803 0.851 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.039 1.087 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.919 0.644 7.322 1.00 0.00 H new ATOM 1296 N ARG A 84 7.711 -2.239 7.696 1.00 0.00 N ATOM 1297 CA ARG A 84 8.731 -3.090 8.287 1.00 0.00 C ATOM 1298 C ARG A 84 8.796 -4.384 7.491 1.00 0.00 C ATOM 1299 O ARG A 84 9.864 -4.958 7.295 1.00 0.00 O ATOM 1300 CB ARG A 84 8.429 -3.377 9.760 1.00 0.00 C ATOM 1301 CG ARG A 84 8.430 -2.133 10.633 1.00 0.00 C ATOM 1302 CD ARG A 84 9.809 -1.494 10.688 1.00 0.00 C ATOM 1303 NE ARG A 84 10.857 -2.474 10.961 1.00 0.00 N ATOM 1304 CZ ARG A 84 12.148 -2.270 10.701 1.00 0.00 C ATOM 1305 NH1 ARG A 84 12.552 -1.126 10.165 1.00 0.00 N ATOM 1306 NH2 ARG A 84 13.037 -3.215 10.979 1.00 0.00 N ATOM 0 H ARG A 84 6.930 -2.018 8.314 1.00 0.00 H new ATOM 0 HA ARG A 84 9.694 -2.580 8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.456 -3.863 9.835 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.168 -4.081 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.709 -1.414 10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.108 -2.394 11.641 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.016 -0.997 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.822 -0.725 11.461 1.00 0.00 H new ATOM 0 HE ARG A 84 10.585 -3.366 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.873 -0.396 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.542 -0.976 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.732 -4.097 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.025 -3.060 10.780 1.00 0.00 H new ATOM 1320 N ARG A 85 7.634 -4.818 7.003 1.00 0.00 N ATOM 1321 CA ARG A 85 7.558 -6.018 6.193 1.00 0.00 C ATOM 1322 C ARG A 85 8.345 -5.801 4.907 1.00 0.00 C ATOM 1323 O ARG A 85 9.099 -6.666 4.480 1.00 0.00 O ATOM 1324 CB ARG A 85 6.103 -6.377 5.882 1.00 0.00 C ATOM 1325 CG ARG A 85 5.511 -7.393 6.845 1.00 0.00 C ATOM 1326 CD ARG A 85 5.586 -6.906 8.283 1.00 0.00 C ATOM 1327 NE ARG A 85 4.746 -7.699 9.177 1.00 0.00 N ATOM 1328 CZ ARG A 85 4.778 -7.602 10.505 1.00 0.00 C ATOM 1329 NH1 ARG A 85 5.606 -6.748 11.095 1.00 0.00 N ATOM 1330 NH2 ARG A 85 3.980 -8.360 11.245 1.00 0.00 N ATOM 0 H ARG A 85 6.739 -4.353 7.158 1.00 0.00 H new ATOM 0 HA ARG A 85 7.990 -6.851 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.500 -5.470 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.043 -6.772 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.472 -7.586 6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.045 -8.339 6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.620 -6.948 8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.277 -5.862 8.328 1.00 0.00 H new ATOM 0 HE ARG A 85 4.097 -8.366 8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.222 -6.162 10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.626 -6.678 12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.342 -9.017 10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.005 -8.286 12.262 1.00 0.00 H new ATOM 1344 N LEU A 86 8.211 -4.609 4.315 1.00 0.00 N ATOM 1345 CA LEU A 86 8.968 -4.307 3.105 1.00 0.00 C ATOM 1346 C LEU A 86 10.447 -4.476 3.423 1.00 0.00 C ATOM 1347 O LEU A 86 11.228 -4.978 2.613 1.00 0.00 O ATOM 1348 CB LEU A 86 8.683 -2.880 2.627 1.00 0.00 C ATOM 1349 CG LEU A 86 9.579 -2.387 1.487 1.00 0.00 C ATOM 1350 CD1 LEU A 86 8.776 -1.562 0.493 1.00 0.00 C ATOM 1351 CD2 LEU A 86 10.743 -1.577 2.038 1.00 0.00 C ATOM 0 H LEU A 86 7.603 -3.860 4.645 1.00 0.00 H new ATOM 0 HA LEU A 86 8.674 -4.984 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.644 -2.822 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.791 -2.201 3.473 1.00 0.00 H new ATOM 0 HG LEU A 86 9.980 -3.255 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.430 -1.221 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.977 -2.174 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.345 -0.699 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.370 -1.234 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.360 -0.716 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.334 -2.200 2.709 1.00 0.00 H new ATOM 1363 N VAL A 87 10.797 -4.092 4.647 1.00 0.00 N ATOM 1364 CA VAL A 87 12.150 -4.237 5.135 1.00 0.00 C ATOM 1365 C VAL A 87 12.486 -5.717 5.237 1.00 0.00 C ATOM 1366 O VAL A 87 13.618 -6.120 4.998 1.00 0.00 O ATOM 1367 CB VAL A 87 12.352 -3.566 6.508 1.00 0.00 C ATOM 1368 CG1 VAL A 87 13.822 -3.578 6.896 1.00 0.00 C ATOM 1369 CG2 VAL A 87 11.810 -2.144 6.495 1.00 0.00 C ATOM 0 H VAL A 87 10.151 -3.676 5.318 1.00 0.00 H new ATOM 0 HA VAL A 87 12.815 -3.739 4.429 1.00 0.00 H new ATOM 0 HB VAL A 87 11.797 -4.135 7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.946 -3.100 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.176 -4.608 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.400 -3.035 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.962 -1.688 7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.334 -1.562 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.745 -2.163 6.265 1.00 0.00 H new ATOM 1379 N ASN A 88 11.485 -6.526 5.604 1.00 0.00 N ATOM 1380 CA ASN A 88 11.685 -7.966 5.737 1.00 0.00 C ATOM 1381 C ASN A 88 12.159 -8.568 4.420 1.00 0.00 C ATOM 1382 O ASN A 88 13.080 -9.385 4.416 1.00 0.00 O ATOM 1383 CB ASN A 88 10.416 -8.675 6.265 1.00 0.00 C ATOM 1384 CG ASN A 88 9.459 -9.175 5.185 1.00 0.00 C ATOM 1385 OD1 ASN A 88 8.331 -8.696 5.080 1.00 0.00 O ATOM 1386 ND2 ASN A 88 9.882 -10.163 4.399 1.00 0.00 N ATOM 0 H ASN A 88 10.538 -6.208 5.812 1.00 0.00 H new ATOM 0 HA ASN A 88 12.467 -8.127 6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 88 10.721 -9.522 6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 88 9.877 -7.986 6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.264 -10.545 3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 88 10.824 -10.537 4.513 1.00 0.00 H new ATOM 1393 N TYR A 89 11.563 -8.160 3.294 1.00 0.00 N ATOM 1394 CA TYR A 89 12.018 -8.700 2.014 1.00 0.00 C ATOM 1395 C TYR A 89 13.422 -8.206 1.725 1.00 0.00 C ATOM 1396 O TYR A 89 14.310 -8.995 1.395 1.00 0.00 O ATOM 1397 CB TYR A 89 11.102 -8.348 0.828 1.00 0.00 C ATOM 1398 CG TYR A 89 11.594 -8.933 -0.498 1.00 0.00 C ATOM 1399 CD1 TYR A 89 12.868 -8.645 -0.980 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.797 -9.781 -1.266 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.331 -9.180 -2.160 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.269 -10.321 -2.458 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.536 -10.018 -2.890 1.00 0.00 C ATOM 1404 OH TYR A 89 13.009 -10.561 -4.065 1.00 0.00 O ATOM 0 H TYR A 89 10.798 -7.487 3.243 1.00 0.00 H new ATOM 0 HA TYR A 89 11.995 -9.785 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.096 -8.716 1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.033 -7.264 0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.509 -7.985 -0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.799 -10.022 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.324 -8.937 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.640 -10.977 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 89 13.009 -11.539 -3.997 1.00 0.00 H new ATOM 1414 N LEU A 90 13.630 -6.897 1.840 1.00 0.00 N ATOM 1415 CA LEU A 90 14.947 -6.334 1.570 1.00 0.00 C ATOM 1416 C LEU A 90 15.995 -7.050 2.419 1.00 0.00 C ATOM 1417 O LEU A 90 17.123 -7.278 1.986 1.00 0.00 O ATOM 1418 CB LEU A 90 14.955 -4.822 1.842 1.00 0.00 C ATOM 1419 CG LEU A 90 15.557 -4.384 3.183 1.00 0.00 C ATOM 1420 CD1 LEU A 90 17.077 -4.360 3.102 1.00 0.00 C ATOM 1421 CD2 LEU A 90 15.024 -3.017 3.583 1.00 0.00 C ATOM 0 H LEU A 90 12.918 -6.219 2.113 1.00 0.00 H new ATOM 0 HA LEU A 90 15.190 -6.482 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.508 -4.332 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.929 -4.458 1.791 1.00 0.00 H new ATOM 0 HG LEU A 90 15.264 -5.106 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.488 -4.047 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.444 -5.357 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.389 -3.659 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.461 -2.721 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.289 -2.285 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.939 -3.063 3.680 1.00 0.00 H new ATOM 1433 N ASP A 91 15.590 -7.417 3.626 1.00 0.00 N ATOM 1434 CA ASP A 91 16.454 -8.128 4.552 1.00 0.00 C ATOM 1435 C ASP A 91 16.697 -9.562 4.087 1.00 0.00 C ATOM 1436 O ASP A 91 17.758 -10.133 4.341 1.00 0.00 O ATOM 1437 CB ASP A 91 15.837 -8.131 5.952 1.00 0.00 C ATOM 1438 CG ASP A 91 16.884 -8.142 7.049 1.00 0.00 C ATOM 1439 OD1 ASP A 91 17.638 -7.153 7.160 1.00 0.00 O ATOM 1440 OD2 ASP A 91 16.950 -9.141 7.796 1.00 0.00 O ATOM 0 H ASP A 91 14.655 -7.230 3.989 1.00 0.00 H new ATOM 0 HA ASP A 91 17.413 -7.612 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.203 -7.252 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.193 -9.004 6.060 1.00 0.00 H new ATOM 1445 N GLU A 92 15.695 -10.153 3.430 1.00 0.00 N ATOM 1446 CA GLU A 92 15.801 -11.534 2.968 1.00 0.00 C ATOM 1447 C GLU A 92 16.239 -11.636 1.508 1.00 0.00 C ATOM 1448 O GLU A 92 16.154 -12.710 0.912 1.00 0.00 O ATOM 1449 CB GLU A 92 14.461 -12.244 3.145 1.00 0.00 C ATOM 1450 CG GLU A 92 14.594 -13.699 3.560 1.00 0.00 C ATOM 1451 CD GLU A 92 13.772 -14.035 4.788 1.00 0.00 C ATOM 1452 OE1 GLU A 92 12.546 -13.794 4.767 1.00 0.00 O ATOM 1453 OE2 GLU A 92 14.353 -14.538 5.772 1.00 0.00 O ATOM 0 H GLU A 92 14.809 -9.699 3.209 1.00 0.00 H new ATOM 0 HA GLU A 92 16.570 -12.014 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.874 -11.713 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.905 -12.191 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.283 -14.338 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.643 -13.922 3.758 1.00 0.00 H new ATOM 1460 N LYS A 93 16.700 -10.536 0.928 1.00 0.00 N ATOM 1461 CA LYS A 93 17.133 -10.556 -0.467 1.00 0.00 C ATOM 1462 C LYS A 93 18.120 -9.434 -0.771 1.00 0.00 C ATOM 1463 O LYS A 93 19.095 -9.636 -1.495 1.00 0.00 O ATOM 1464 CB LYS A 93 15.919 -10.449 -1.389 1.00 0.00 C ATOM 1465 CG LYS A 93 15.519 -11.770 -2.028 1.00 0.00 C ATOM 1466 CD LYS A 93 16.448 -12.140 -3.173 1.00 0.00 C ATOM 1467 CE LYS A 93 15.914 -13.324 -3.963 1.00 0.00 C ATOM 1468 NZ LYS A 93 15.846 -14.559 -3.133 1.00 0.00 N ATOM 0 H LYS A 93 16.784 -9.631 1.391 1.00 0.00 H new ATOM 0 HA LYS A 93 17.645 -11.502 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.075 -10.060 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.134 -9.725 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.535 -12.559 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.495 -11.702 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.569 -11.283 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.436 -12.380 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.921 -13.088 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.554 -13.502 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.509 -15.351 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.792 -14.780 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.189 -14.409 -2.341 1.00 0.00 H new ATOM 1482 N LYS A 94 17.862 -8.250 -0.223 1.00 0.00 N ATOM 1483 CA LYS A 94 18.731 -7.094 -0.447 1.00 0.00 C ATOM 1484 C LYS A 94 18.505 -6.513 -1.845 1.00 0.00 C ATOM 1485 O LYS A 94 17.441 -6.701 -2.434 1.00 0.00 O ATOM 1486 CB LYS A 94 20.203 -7.489 -0.264 1.00 0.00 C ATOM 1487 CG LYS A 94 21.051 -6.413 0.397 1.00 0.00 C ATOM 1488 CD LYS A 94 22.517 -6.543 0.011 1.00 0.00 C ATOM 1489 CE LYS A 94 22.758 -6.111 -1.427 1.00 0.00 C ATOM 1490 NZ LYS A 94 24.140 -6.434 -1.881 1.00 0.00 N ATOM 0 H LYS A 94 17.060 -8.064 0.379 1.00 0.00 H new ATOM 0 HA LYS A 94 18.482 -6.329 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.254 -8.398 0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.629 -7.727 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.683 -5.429 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.951 -6.484 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.125 -5.935 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.837 -7.577 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.037 -6.604 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.588 -5.038 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.263 -6.123 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.828 -5.944 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 24.294 -7.461 -1.820 1.00 0.00 H new ATOM 1504 N GLU A 95 19.508 -5.807 -2.369 1.00 0.00 N ATOM 1505 CA GLU A 95 19.422 -5.196 -3.697 1.00 0.00 C ATOM 1506 C GLU A 95 18.625 -3.897 -3.651 1.00 0.00 C ATOM 1507 O GLU A 95 18.251 -3.422 -2.578 1.00 0.00 O ATOM 1508 CB GLU A 95 18.790 -6.165 -4.703 1.00 0.00 C ATOM 1509 CG GLU A 95 19.568 -6.286 -6.003 1.00 0.00 C ATOM 1510 CD GLU A 95 18.970 -7.310 -6.947 1.00 0.00 C ATOM 1511 OE1 GLU A 95 18.421 -8.320 -6.457 1.00 0.00 O ATOM 1512 OE2 GLU A 95 19.050 -7.104 -8.176 1.00 0.00 O ATOM 0 H GLU A 95 20.394 -5.643 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 95 20.437 -4.967 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.710 -7.151 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.776 -5.834 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.596 -5.315 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.599 -6.561 -5.781 1.00 0.00 H new ATOM 1519 N ASP A 96 18.372 -3.323 -4.824 1.00 0.00 N ATOM 1520 CA ASP A 96 17.625 -2.074 -4.924 1.00 0.00 C ATOM 1521 C ASP A 96 16.257 -2.197 -4.260 1.00 0.00 C ATOM 1522 O ASP A 96 15.978 -3.174 -3.566 1.00 0.00 O ATOM 1523 CB ASP A 96 17.462 -1.671 -6.391 1.00 0.00 C ATOM 1524 CG ASP A 96 17.615 -0.178 -6.601 1.00 0.00 C ATOM 1525 OD1 ASP A 96 18.380 0.453 -5.839 1.00 0.00 O ATOM 1526 OD2 ASP A 96 16.971 0.361 -7.525 1.00 0.00 O ATOM 0 H ASP A 96 18.674 -3.705 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 96 18.189 -1.301 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.202 -2.198 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.480 -1.986 -6.744 1.00 0.00 H new ATOM 1531 N THR A 97 15.408 -1.195 -4.474 1.00 0.00 N ATOM 1532 CA THR A 97 14.071 -1.189 -3.891 1.00 0.00 C ATOM 1533 C THR A 97 13.016 -1.576 -4.925 1.00 0.00 C ATOM 1534 O THR A 97 12.094 -2.335 -4.626 1.00 0.00 O ATOM 1535 CB THR A 97 13.752 0.190 -3.314 1.00 0.00 C ATOM 1536 OG1 THR A 97 14.258 1.213 -4.152 1.00 0.00 O ATOM 1537 CG2 THR A 97 14.322 0.406 -1.929 1.00 0.00 C ATOM 0 H THR A 97 15.623 -0.378 -5.046 1.00 0.00 H new ATOM 0 HA THR A 97 14.051 -1.928 -3.090 1.00 0.00 H new ATOM 0 HB THR A 97 12.665 0.233 -3.252 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.042 2.088 -3.767 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.059 1.404 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.911 -0.338 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.407 0.308 -1.963 1.00 0.00 H new ATOM 1545 N GLY A 98 13.155 -1.050 -6.137 1.00 0.00 N ATOM 1546 CA GLY A 98 12.202 -1.355 -7.192 1.00 0.00 C ATOM 1547 C GLY A 98 11.059 -0.360 -7.247 1.00 0.00 C ATOM 1548 O GLY A 98 10.628 0.044 -8.327 1.00 0.00 O ATOM 0 H GLY A 98 13.909 -0.419 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.718 -1.364 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.801 -2.356 -7.036 1.00 0.00 H new ATOM 1552 N ILE A 99 10.574 0.040 -6.077 1.00 0.00 N ATOM 1553 CA ILE A 99 9.478 1.001 -5.992 1.00 0.00 C ATOM 1554 C ILE A 99 9.915 2.356 -6.505 1.00 0.00 C ATOM 1555 O ILE A 99 11.032 2.803 -6.245 1.00 0.00 O ATOM 1556 CB ILE A 99 8.966 1.205 -4.549 1.00 0.00 C ATOM 1557 CG1 ILE A 99 10.055 0.892 -3.517 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.727 0.372 -4.293 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.751 1.430 -2.136 1.00 0.00 C ATOM 0 H ILE A 99 10.921 -0.285 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 99 8.676 0.583 -6.600 1.00 0.00 H new ATOM 0 HB ILE A 99 8.700 2.256 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.187 -0.188 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.001 1.310 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.385 0.533 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.941 0.666 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.962 -0.683 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.564 1.171 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.648 2.514 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.821 0.993 -1.772 1.00 0.00 H new ATOM 1571 N LYS A 100 9.022 3.016 -7.219 1.00 0.00 N ATOM 1572 CA LYS A 100 9.315 4.336 -7.746 1.00 0.00 C ATOM 1573 C LYS A 100 9.242 5.371 -6.632 1.00 0.00 C ATOM 1574 O LYS A 100 10.102 6.246 -6.523 1.00 0.00 O ATOM 1575 CB LYS A 100 8.328 4.692 -8.850 1.00 0.00 C ATOM 1576 CG LYS A 100 8.920 4.621 -10.249 1.00 0.00 C ATOM 1577 CD LYS A 100 10.178 5.469 -10.371 1.00 0.00 C ATOM 1578 CE LYS A 100 11.415 4.607 -10.567 1.00 0.00 C ATOM 1579 NZ LYS A 100 11.217 3.585 -11.632 1.00 0.00 N ATOM 0 H LYS A 100 8.093 2.662 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 100 10.323 4.331 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.474 4.017 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.951 5.700 -8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.154 3.585 -10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.181 4.960 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.075 6.156 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.296 6.078 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.262 5.242 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.664 4.110 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.101 3.465 -12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.949 2.679 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.462 3.896 -12.276 1.00 0.00 H new ATOM 1593 N ASN A 101 8.198 5.268 -5.815 1.00 0.00 N ATOM 1594 CA ASN A 101 7.998 6.202 -4.716 1.00 0.00 C ATOM 1595 C ASN A 101 7.200 5.583 -3.565 1.00 0.00 C ATOM 1596 O ASN A 101 6.083 5.102 -3.758 1.00 0.00 O ATOM 1597 CB ASN A 101 7.268 7.438 -5.233 1.00 0.00 C ATOM 1598 CG ASN A 101 7.859 8.727 -4.699 1.00 0.00 C ATOM 1599 OD1 ASN A 101 7.758 9.024 -3.508 1.00 0.00 O ATOM 1600 ND2 ASN A 101 8.479 9.505 -5.579 1.00 0.00 N ATOM 0 H ASN A 101 7.480 4.548 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 101 8.980 6.470 -4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.305 7.449 -6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.217 7.380 -4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 101 8.894 10.386 -5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.540 9.221 -6.557 1.00 0.00 H new ATOM 1607 N ILE A 102 7.774 5.625 -2.362 1.00 0.00 N ATOM 1608 CA ILE A 102 7.112 5.100 -1.171 1.00 0.00 C ATOM 1609 C ILE A 102 6.306 6.208 -0.486 1.00 0.00 C ATOM 1610 O ILE A 102 6.865 7.209 -0.036 1.00 0.00 O ATOM 1611 CB ILE A 102 8.140 4.519 -0.175 1.00 0.00 C ATOM 1612 CG1 ILE A 102 7.439 3.947 1.060 1.00 0.00 C ATOM 1613 CG2 ILE A 102 9.151 5.585 0.225 1.00 0.00 C ATOM 1614 CD1 ILE A 102 7.058 2.491 0.917 1.00 0.00 C ATOM 0 H ILE A 102 8.699 6.019 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 102 6.441 4.300 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 102 8.672 3.705 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.093 4.060 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.541 4.531 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.869 5.161 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.677 5.939 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.632 6.420 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.566 2.152 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.378 2.374 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.955 1.895 0.746 1.00 0.00 H new ATOM 1626 N MET A 103 4.986 6.033 -0.443 1.00 0.00 N ATOM 1627 CA MET A 103 4.104 7.036 0.152 1.00 0.00 C ATOM 1628 C MET A 103 2.941 6.415 0.925 1.00 0.00 C ATOM 1629 O MET A 103 2.689 5.220 0.842 1.00 0.00 O ATOM 1630 CB MET A 103 3.547 7.961 -0.942 1.00 0.00 C ATOM 1631 CG MET A 103 3.850 7.504 -2.362 1.00 0.00 C ATOM 1632 SD MET A 103 3.538 8.790 -3.586 1.00 0.00 S ATOM 1633 CE MET A 103 2.547 7.892 -4.776 1.00 0.00 C ATOM 0 H MET A 103 4.506 5.211 -0.811 1.00 0.00 H new ATOM 0 HA MET A 103 4.706 7.604 0.861 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.467 8.039 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.957 8.961 -0.799 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.893 7.193 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 103 3.242 6.630 -2.596 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.556 8.420 -5.729 1.00 0.00 H new ATOM 0 HE2 MET A 103 2.959 6.892 -4.912 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.522 7.816 -4.413 1.00 0.00 H new ATOM 1643 N ILE A 104 2.205 7.262 1.644 1.00 0.00 N ATOM 1644 CA ILE A 104 1.027 6.807 2.386 1.00 0.00 C ATOM 1645 C ILE A 104 -0.226 7.462 1.801 1.00 0.00 C ATOM 1646 O ILE A 104 -0.197 8.602 1.336 1.00 0.00 O ATOM 1647 CB ILE A 104 1.116 7.063 3.914 1.00 0.00 C ATOM 1648 CG1 ILE A 104 2.269 6.257 4.518 1.00 0.00 C ATOM 1649 CG2 ILE A 104 -0.193 6.724 4.611 1.00 0.00 C ATOM 1650 CD1 ILE A 104 2.095 4.760 4.380 1.00 0.00 C ATOM 0 H ILE A 104 2.400 8.259 1.729 1.00 0.00 H new ATOM 0 HA ILE A 104 0.976 5.724 2.271 1.00 0.00 H new ATOM 0 HB ILE A 104 1.307 8.125 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.201 6.553 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.363 6.508 5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.096 6.915 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.993 7.342 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.429 5.672 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.948 4.252 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.181 4.452 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.031 4.497 3.324 1.00 0.00 H new ATOM 1662 N LEU A 105 -1.311 6.692 1.787 1.00 0.00 N ATOM 1663 CA LEU A 105 -2.579 7.133 1.212 1.00 0.00 C ATOM 1664 C LEU A 105 -3.304 8.168 2.064 1.00 0.00 C ATOM 1665 O LEU A 105 -3.369 8.069 3.287 1.00 0.00 O ATOM 1666 CB LEU A 105 -3.514 5.938 0.949 1.00 0.00 C ATOM 1667 CG LEU A 105 -3.514 4.807 1.989 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -2.448 3.776 1.659 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.331 5.345 3.404 1.00 0.00 C ATOM 0 H LEU A 105 -1.336 5.748 2.172 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.320 7.614 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.532 6.318 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.251 5.509 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.489 4.320 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.464 2.984 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.646 3.350 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.468 4.253 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.336 4.516 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.381 5.874 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.145 6.030 3.641 1.00 0.00 H new ATOM 1681 N GLU A 106 -3.861 9.160 1.377 1.00 0.00 N ATOM 1682 CA GLU A 106 -4.616 10.225 2.028 1.00 0.00 C ATOM 1683 C GLU A 106 -5.882 9.647 2.653 1.00 0.00 C ATOM 1684 O GLU A 106 -6.948 9.671 2.038 1.00 0.00 O ATOM 1685 CB GLU A 106 -5.003 11.333 1.028 1.00 0.00 C ATOM 1686 CG GLU A 106 -4.293 11.263 -0.320 1.00 0.00 C ATOM 1687 CD GLU A 106 -5.020 10.382 -1.320 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -6.024 9.747 -0.933 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -4.585 10.327 -2.489 1.00 0.00 O ATOM 0 H GLU A 106 -3.803 9.249 0.363 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.982 10.664 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.079 11.288 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.793 12.301 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.199 12.269 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.282 10.882 -0.174 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.764 9.112 3.864 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.915 8.517 4.532 1.00 0.00 C ATOM 1698 C ARG A 107 -7.471 7.381 3.682 1.00 0.00 C ATOM 1699 O ARG A 107 -8.603 7.446 3.210 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.993 9.579 4.774 1.00 0.00 C ATOM 1701 CG ARG A 107 -9.275 9.025 5.378 1.00 0.00 C ATOM 1702 CD ARG A 107 -10.505 9.546 4.651 1.00 0.00 C ATOM 1703 NE ARG A 107 -11.689 9.545 5.507 1.00 0.00 N ATOM 1704 CZ ARG A 107 -12.883 9.990 5.122 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -13.057 10.470 3.897 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -13.907 9.954 5.964 1.00 0.00 N ATOM 0 H ARG A 107 -4.895 9.078 4.397 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.602 8.117 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.592 10.346 5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.229 10.066 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.259 7.936 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.330 9.300 6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.315 10.559 4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.693 8.931 3.771 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.595 9.182 6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.273 10.499 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.974 10.810 3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.780 9.585 6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.822 10.295 5.669 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.644 6.354 3.476 1.00 0.00 N ATOM 1721 CA GLY A 108 -7.034 5.207 2.667 1.00 0.00 C ATOM 1722 C GLY A 108 -8.304 4.527 3.144 1.00 0.00 C ATOM 1723 O GLY A 108 -8.278 3.358 3.531 1.00 0.00 O ATOM 0 H GLY A 108 -5.701 6.297 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.172 5.531 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.221 4.480 2.667 1.00 0.00 H new ATOM 1727 N PHE A 109 -9.420 5.255 3.109 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.717 4.728 3.528 1.00 0.00 C ATOM 1729 C PHE A 109 -10.598 3.851 4.781 1.00 0.00 C ATOM 1730 O PHE A 109 -11.392 2.937 4.998 1.00 0.00 O ATOM 1731 CB PHE A 109 -11.355 3.944 2.379 1.00 0.00 C ATOM 1732 CG PHE A 109 -11.076 4.523 1.021 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -11.411 5.836 0.731 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -10.481 3.754 0.033 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -11.157 6.370 -0.517 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -10.225 4.283 -1.216 1.00 0.00 C ATOM 1737 CZ PHE A 109 -10.563 5.594 -1.492 1.00 0.00 C ATOM 0 H PHE A 109 -9.450 6.223 2.790 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.357 5.572 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.992 2.917 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -12.433 3.905 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.876 6.448 1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -10.215 2.729 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.423 7.395 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.761 3.673 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.363 6.011 -2.468 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.595 4.152 5.604 1.00 0.00 N ATOM 1748 CA ASN A 110 -9.364 3.412 6.836 1.00 0.00 C ATOM 1749 C ASN A 110 -10.511 3.644 7.806 1.00 0.00 C ATOM 1750 O ASN A 110 -10.948 2.730 8.499 1.00 0.00 O ATOM 1751 CB ASN A 110 -8.039 3.834 7.473 1.00 0.00 C ATOM 1752 CG ASN A 110 -6.841 3.260 6.744 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -6.271 2.252 7.161 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -6.451 3.900 5.648 1.00 0.00 N ATOM 0 H ASN A 110 -8.929 4.906 5.436 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.311 2.349 6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.971 4.922 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.019 3.509 8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.650 3.559 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -6.952 4.732 5.338 1.00 0.00 H new ATOM 1761 N GLY A 111 -10.996 4.877 7.837 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.095 5.227 8.700 1.00 0.00 C ATOM 1763 C GLY A 111 -13.370 4.537 8.284 1.00 0.00 C ATOM 1764 O GLY A 111 -14.177 4.159 9.129 1.00 0.00 O ATOM 0 H GLY A 111 -10.639 5.647 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.852 4.955 9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.243 6.307 8.682 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.562 4.373 6.974 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.762 3.719 6.480 1.00 0.00 C ATOM 1770 C TRP A 112 -14.790 2.247 6.875 1.00 0.00 C ATOM 1771 O TRP A 112 -15.757 1.771 7.464 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.845 3.789 4.958 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.278 2.471 4.427 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.485 1.890 4.638 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -14.494 1.535 3.693 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -16.509 0.645 4.088 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -15.297 0.405 3.477 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -13.198 1.548 3.187 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -14.831 -0.706 2.779 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -12.740 0.450 2.492 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -13.558 -0.663 2.294 1.00 0.00 C ATOM 0 H TRP A 112 -12.911 4.680 6.251 1.00 0.00 H new ATOM 0 HA TRP A 112 -15.606 4.245 6.926 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -15.549 4.564 4.656 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.875 4.060 4.542 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -17.308 2.349 5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.295 -0.004 4.122 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -12.560 2.407 3.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -15.457 -1.573 2.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -11.735 0.451 2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -13.174 -1.509 1.744 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.727 1.525 6.539 1.00 0.00 N ATOM 1793 CA GLU A 113 -13.661 0.102 6.856 1.00 0.00 C ATOM 1794 C GLU A 113 -13.652 -0.072 8.362 1.00 0.00 C ATOM 1795 O GLU A 113 -14.320 -0.948 8.912 1.00 0.00 O ATOM 1796 CB GLU A 113 -12.413 -0.532 6.240 1.00 0.00 C ATOM 1797 CG GLU A 113 -12.275 -2.017 6.534 1.00 0.00 C ATOM 1798 CD GLU A 113 -10.861 -2.523 6.326 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -9.924 -1.913 6.885 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -10.690 -3.529 5.606 1.00 0.00 O ATOM 0 H GLU A 113 -12.909 1.894 6.054 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.534 -0.399 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.436 -0.385 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.530 -0.013 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.578 -2.210 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.955 -2.576 5.891 1.00 0.00 H new ATOM 1807 N ALA A 114 -12.894 0.795 9.018 1.00 0.00 N ATOM 1808 CA ALA A 114 -12.782 0.785 10.464 1.00 0.00 C ATOM 1809 C ALA A 114 -14.101 1.171 11.120 1.00 0.00 C ATOM 1810 O ALA A 114 -14.558 0.496 12.043 1.00 0.00 O ATOM 1811 CB ALA A 114 -11.674 1.724 10.916 1.00 0.00 C ATOM 0 H ALA A 114 -12.342 1.522 8.562 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.534 -0.230 10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -11.602 1.705 12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.726 1.403 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -11.898 2.738 10.584 1.00 0.00 H new ATOM 1817 N SER A 115 -14.706 2.273 10.666 1.00 0.00 N ATOM 1818 CA SER A 115 -15.965 2.721 11.272 1.00 0.00 C ATOM 1819 C SER A 115 -17.061 3.063 10.260 1.00 0.00 C ATOM 1820 O SER A 115 -18.244 2.881 10.553 1.00 0.00 O ATOM 1821 CB SER A 115 -15.711 3.927 12.177 1.00 0.00 C ATOM 1822 OG SER A 115 -14.914 4.899 11.522 1.00 0.00 O ATOM 0 H SER A 115 -14.359 2.856 9.905 1.00 0.00 H new ATOM 0 HA SER A 115 -16.334 1.874 11.850 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.662 4.371 12.472 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.214 3.601 13.091 1.00 0.00 H new ATOM 0 HG SER A 115 -14.877 4.700 10.563 1.00 0.00 H new ATOM 1828 N GLY A 116 -16.692 3.567 9.088 1.00 0.00 N ATOM 1829 CA GLY A 116 -17.698 3.927 8.097 1.00 0.00 C ATOM 1830 C GLY A 116 -18.727 2.835 7.889 1.00 0.00 C ATOM 1831 O GLY A 116 -19.926 3.086 7.990 1.00 0.00 O ATOM 0 H GLY A 116 -15.726 3.733 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.202 4.841 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.207 4.144 7.148 1.00 0.00 H new ATOM 1835 N LYS A 117 -18.232 1.626 7.617 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.057 0.426 7.394 1.00 0.00 C ATOM 1837 C LYS A 117 -19.276 0.109 5.903 1.00 0.00 C ATOM 1838 O LYS A 117 -18.791 -0.911 5.422 1.00 0.00 O ATOM 1839 CB LYS A 117 -20.413 0.497 8.110 1.00 0.00 C ATOM 1840 CG LYS A 117 -21.459 -0.406 7.478 1.00 0.00 C ATOM 1841 CD LYS A 117 -22.678 -0.571 8.373 1.00 0.00 C ATOM 1842 CE LYS A 117 -23.747 0.462 8.055 1.00 0.00 C ATOM 1843 NZ LYS A 117 -24.071 0.496 6.603 1.00 0.00 N ATOM 0 H LYS A 117 -17.231 1.445 7.543 1.00 0.00 H new ATOM 0 HA LYS A 117 -18.478 -0.388 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.282 0.218 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.772 1.526 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.766 0.010 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -21.021 -1.384 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -23.090 -1.572 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -22.379 -0.477 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -24.650 0.237 8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -23.406 1.447 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -25.072 0.746 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -23.474 1.205 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -23.893 -0.440 6.186 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.033 0.944 5.154 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.320 0.689 3.733 1.00 0.00 C ATOM 1859 C PRO A 118 -19.109 0.212 2.943 1.00 0.00 C ATOM 1860 O PRO A 118 -18.377 1.014 2.365 1.00 0.00 O ATOM 1861 CB PRO A 118 -20.788 2.051 3.233 1.00 0.00 C ATOM 1862 CG PRO A 118 -21.465 2.653 4.412 1.00 0.00 C ATOM 1863 CD PRO A 118 -20.692 2.182 5.618 1.00 0.00 C ATOM 0 HA PRO A 118 -21.047 -0.113 3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.950 2.663 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -21.469 1.954 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.465 3.741 4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -22.507 2.337 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.964 2.926 5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -21.350 1.991 6.465 1.00 0.00 H new ATOM 1871 N VAL A 119 -18.907 -1.105 2.916 1.00 0.00 N ATOM 1872 CA VAL A 119 -17.788 -1.690 2.189 1.00 0.00 C ATOM 1873 C VAL A 119 -18.210 -2.043 0.765 1.00 0.00 C ATOM 1874 O VAL A 119 -19.368 -2.388 0.538 1.00 0.00 O ATOM 1875 CB VAL A 119 -17.225 -2.943 2.909 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.957 -2.654 4.379 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -18.167 -4.129 2.757 1.00 0.00 C ATOM 0 H VAL A 119 -19.504 -1.783 3.389 1.00 0.00 H new ATOM 0 HA VAL A 119 -16.993 -0.946 2.154 1.00 0.00 H new ATOM 0 HB VAL A 119 -16.277 -3.200 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -16.563 -3.549 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.230 -1.846 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.886 -2.359 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -17.748 -4.994 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -19.136 -3.882 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -18.292 -4.361 1.699 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.270 -1.936 -0.191 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.552 -2.220 -1.610 1.00 0.00 C ATOM 1889 C CYS A 120 -19.062 -2.282 -1.910 1.00 0.00 C ATOM 1890 O CYS A 120 -19.801 -1.356 -1.574 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.860 -3.510 -2.051 1.00 0.00 C ATOM 1892 SG CYS A 120 -16.729 -3.678 -3.845 1.00 0.00 S ATOM 0 H CYS A 120 -16.307 -1.655 -0.006 1.00 0.00 H new ATOM 0 HA CYS A 120 -17.148 -1.388 -2.187 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -15.861 -3.544 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -17.410 -4.363 -1.653 1.00 0.00 H new ATOM 0 HG CYS A 120 -15.623 -3.129 -4.253 1.00 0.00 H new ATOM 1897 N ARG A 121 -19.510 -3.372 -2.541 1.00 0.00 N ATOM 1898 CA ARG A 121 -20.915 -3.561 -2.887 1.00 0.00 C ATOM 1899 C ARG A 121 -21.072 -4.783 -3.785 1.00 0.00 C ATOM 1900 O ARG A 121 -21.910 -4.801 -4.687 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.480 -2.331 -3.600 1.00 0.00 C ATOM 1902 CG ARG A 121 -22.955 -2.113 -3.324 1.00 0.00 C ATOM 1903 CD ARG A 121 -23.269 -0.647 -3.070 1.00 0.00 C ATOM 1904 NE ARG A 121 -24.662 -0.443 -2.683 1.00 0.00 N ATOM 1905 CZ ARG A 121 -25.128 -0.658 -1.455 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -24.317 -1.077 -0.492 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -26.411 -0.451 -1.188 1.00 0.00 N ATOM 0 H ARG A 121 -18.907 -4.144 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 121 -21.470 -3.710 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -20.923 -1.448 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.329 -2.439 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.540 -2.469 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.255 -2.705 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.616 -0.268 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.055 -0.070 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 121 -25.316 -0.117 -3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.329 -1.236 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.681 -1.240 0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.039 -0.127 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -26.769 -0.615 -0.247 1.00 0.00 H new ATOM 1921 N CYS A 122 -20.250 -5.797 -3.535 1.00 0.00 N ATOM 1922 CA CYS A 122 -20.278 -7.024 -4.321 1.00 0.00 C ATOM 1923 C CYS A 122 -19.228 -8.018 -3.833 1.00 0.00 C ATOM 1924 O CYS A 122 -18.945 -8.111 -2.638 1.00 0.00 O ATOM 1925 CB CYS A 122 -20.037 -6.713 -5.804 1.00 0.00 C ATOM 1926 SG CYS A 122 -18.374 -6.126 -6.187 1.00 0.00 S ATOM 0 H CYS A 122 -19.553 -5.792 -2.790 1.00 0.00 H new ATOM 0 HA CYS A 122 -21.264 -7.472 -4.198 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -20.234 -7.613 -6.387 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -20.757 -5.961 -6.126 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.450 -5.060 -6.927 1.00 0.00 H new ATOM 1931 N ALA A 123 -18.654 -8.754 -4.777 1.00 0.00 N ATOM 1932 CA ALA A 123 -17.629 -9.744 -4.477 1.00 0.00 C ATOM 1933 C ALA A 123 -17.102 -10.383 -5.758 1.00 0.00 C ATOM 1934 O ALA A 123 -16.858 -11.589 -5.807 1.00 0.00 O ATOM 1935 CB ALA A 123 -18.181 -10.809 -3.539 1.00 0.00 C ATOM 0 H ALA A 123 -18.885 -8.681 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 123 -16.799 -9.239 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -17.404 -11.542 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -18.507 -10.342 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.028 -11.306 -4.011 1.00 0.00 H new ATOM 1941 N GLU A 124 -16.936 -9.566 -6.796 1.00 0.00 N ATOM 1942 CA GLU A 124 -16.445 -10.054 -8.083 1.00 0.00 C ATOM 1943 C GLU A 124 -15.185 -9.314 -8.515 1.00 0.00 C ATOM 1944 O GLU A 124 -14.772 -8.342 -7.884 1.00 0.00 O ATOM 1945 CB GLU A 124 -17.522 -9.912 -9.164 1.00 0.00 C ATOM 1946 CG GLU A 124 -18.945 -9.964 -8.628 1.00 0.00 C ATOM 1947 CD GLU A 124 -19.216 -11.214 -7.815 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -18.708 -12.290 -8.194 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -19.936 -11.117 -6.799 1.00 0.00 O ATOM 0 H GLU A 124 -17.134 -8.566 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 124 -16.200 -11.109 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -17.376 -8.967 -9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -17.392 -10.706 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -19.129 -9.086 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -19.645 -9.918 -9.462 1.00 0.00 H new ATOM 1956 N VAL A 125 -14.585 -9.785 -9.603 1.00 0.00 N ATOM 1957 CA VAL A 125 -13.373 -9.177 -10.137 1.00 0.00 C ATOM 1958 C VAL A 125 -13.699 -7.963 -11.007 1.00 0.00 C ATOM 1959 O VAL A 125 -13.054 -6.922 -10.889 1.00 0.00 O ATOM 1960 CB VAL A 125 -12.549 -10.183 -10.964 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -11.205 -9.584 -11.347 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -12.361 -11.481 -10.192 1.00 0.00 C ATOM 0 H VAL A 125 -14.920 -10.589 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 125 -12.781 -8.857 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 125 -13.096 -10.407 -11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.637 -10.308 -11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -11.364 -8.684 -11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -10.650 -9.330 -10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -11.777 -12.179 -10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -11.836 -11.277 -9.259 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.335 -11.918 -9.972 1.00 0.00 H new ATOM 1972 N PRO A 126 -14.711 -8.071 -11.894 1.00 0.00 N ATOM 1973 CA PRO A 126 -15.106 -6.964 -12.770 1.00 0.00 C ATOM 1974 C PRO A 126 -15.204 -5.643 -12.016 1.00 0.00 C ATOM 1975 O PRO A 126 -14.982 -4.573 -12.584 1.00 0.00 O ATOM 1976 CB PRO A 126 -16.479 -7.397 -13.279 1.00 0.00 C ATOM 1977 CG PRO A 126 -16.418 -8.884 -13.283 1.00 0.00 C ATOM 1978 CD PRO A 126 -15.552 -9.268 -12.112 1.00 0.00 C ATOM 0 HA PRO A 126 -14.381 -6.784 -13.563 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -17.276 -7.033 -12.631 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -16.675 -7.004 -14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -17.415 -9.315 -13.189 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -15.997 -9.255 -14.218 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.150 -9.504 -11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -14.948 -10.148 -12.332 1.00 0.00 H new ATOM 1986 N CYS A 127 -15.529 -5.727 -10.729 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.647 -4.539 -9.892 1.00 0.00 C ATOM 1988 C CYS A 127 -14.291 -4.169 -9.304 1.00 0.00 C ATOM 1989 O CYS A 127 -13.521 -5.045 -8.912 1.00 0.00 O ATOM 1990 CB CYS A 127 -16.659 -4.787 -8.756 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.408 -3.776 -7.269 1.00 0.00 S ATOM 0 H CYS A 127 -15.715 -6.605 -10.244 1.00 0.00 H new ATOM 0 HA CYS A 127 -16.001 -3.714 -10.510 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -17.663 -4.602 -9.138 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -16.614 -5.839 -8.474 1.00 0.00 H new ATOM 0 HG CYS A 127 -16.946 -4.369 -6.245 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.016 -2.869 -9.196 1.00 0.00 N ATOM 1997 CA LYS A 128 -12.771 -2.419 -8.596 1.00 0.00 C ATOM 1998 C LYS A 128 -12.719 -2.955 -7.194 1.00 0.00 C ATOM 1999 O LYS A 128 -13.529 -3.798 -6.809 1.00 0.00 O ATOM 2000 CB LYS A 128 -12.717 -0.887 -8.502 1.00 0.00 C ATOM 2001 CG LYS A 128 -11.421 -0.282 -9.010 1.00 0.00 C ATOM 2002 CD LYS A 128 -11.359 -0.279 -10.529 1.00 0.00 C ATOM 2003 CE LYS A 128 -10.014 0.220 -11.031 1.00 0.00 C ATOM 2004 NZ LYS A 128 -9.517 -0.579 -12.185 1.00 0.00 N ATOM 0 H LYS A 128 -14.633 -2.121 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 128 -11.941 -2.768 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.548 -0.469 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -12.861 -0.592 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -11.326 0.739 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -10.576 -0.845 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -11.537 -1.287 -10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -12.154 0.353 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -10.102 1.266 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -9.286 0.178 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -8.598 -0.205 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -9.408 -1.573 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -10.198 -0.518 -12.968 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.839 -2.401 -6.397 1.00 0.00 N ATOM 2019 CA GLY A 129 -11.820 -2.794 -5.028 1.00 0.00 C ATOM 2020 C GLY A 129 -13.141 -2.378 -4.416 1.00 0.00 C ATOM 2021 O GLY A 129 -14.134 -3.087 -4.536 1.00 0.00 O ATOM 0 H GLY A 129 -11.151 -1.699 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -11.679 -3.871 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.989 -2.321 -4.505 1.00 0.00 H new