USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 159:sc= -0.0381 (180deg=-0.299) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0.337 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -152:sc= 0.359 (180deg=0) USER MOD Set 3.1: A 19 THR OG1 : rot -110:sc= -0.565 USER MOD Set 3.2: A 31 ASN : amide:sc= -0.57 K(o=-1.1,f=-0.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -113:sc= -0.575 (180deg=-3.67!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0131) USER MOD Single : A 15 SER OG : rot -53:sc= -2.12! USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.78! K(o=-3.8!,f=-3) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0181) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0391) USER MOD Single : A 40 THR OG1 : rot 45:sc= -1.84 USER MOD Single : A 42 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.37) USER MOD Single : A 48 TYR OH : rot 180:sc= -2.97! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 52 ASN : amide:sc= -5.59! C(o=-5.6!,f=-7.5!) USER MOD Single : A 54 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.7!) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.332) USER MOD Single : A 63 THR OG1 : rot 98:sc= 0.215 USER MOD Single : A 65 MET CE :methyl -117:sc= -0.417 (180deg=-1.43!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.8) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc=-0.00163 (180deg=-0.136) USER MOD Single : A 74 TYR OH : rot 127:sc= -1.18 USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.819 USER MOD Single : A 80 MET CE :methyl -140:sc= -5.51! (180deg=-9.97!) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= -0.0083 (180deg=-0.497) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0.12 (180deg=-0.0464) USER MOD Single : A 97 TYR OH : rot 15:sc= -2.21 USER MOD Single : A 99 LYS NZ :NH3+ 126:sc= -0.172 (180deg=-0.885) USER MOD Single : A 100 LYS NZ :NH3+ -151:sc= -0.203 (180deg=-0.48) USER MOD Single : A 102 THR OG1 : rot -89:sc= 0.142 USER MOD Single : A 103 ASN : amide:sc=-0.00407 X(o=-0.0041,f=-0.14) USER MOD Single : A 500 HEC O2A : rot 105:sc= -5.26! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.398 0.605 0.443 1.00 24.45 N ATOM 2 CA GLY A 1 3.407 0.105 -0.474 1.00 4.32 C ATOM 3 C GLY A 1 2.953 -1.197 -1.136 1.00 34.12 C ATOM 4 O GLY A 1 3.239 -2.284 -0.637 1.00 52.20 O ATOM 0 H1 GLY A 1 2.732 1.489 0.878 1.00 24.45 H new ATOM 0 H2 GLY A 1 1.516 0.787 -0.077 1.00 24.45 H new ATOM 0 H3 GLY A 1 2.223 -0.102 1.186 1.00 24.45 H new ATOM 0 HA2 GLY A 1 3.610 0.854 -1.239 1.00 4.32 H new ATOM 0 HA3 GLY A 1 4.340 -0.063 0.064 1.00 4.32 H new ATOM 8 N ASP A 2 2.252 -1.044 -2.249 1.00 42.55 N ATOM 9 CA ASP A 2 1.754 -2.194 -2.985 1.00 3.31 C ATOM 10 C ASP A 2 2.926 -3.104 -3.354 1.00 4.41 C ATOM 11 O ASP A 2 4.084 -2.694 -3.275 1.00 51.34 O ATOM 12 CB ASP A 2 1.063 -1.763 -4.280 1.00 52.41 C ATOM 13 CG ASP A 2 0.246 -0.473 -4.179 1.00 63.04 C ATOM 14 OD1 ASP A 2 -0.966 -0.504 -3.917 1.00 4.01 O ATOM 15 OD2 ASP A 2 0.912 0.611 -4.384 1.00 63.42 O1- ATOM 0 H ASP A 2 2.017 -0.141 -2.660 1.00 42.55 H new ATOM 0 HA ASP A 2 1.037 -2.715 -2.351 1.00 3.31 H new ATOM 0 HB2 ASP A 2 1.821 -1.636 -5.053 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.405 -2.567 -4.608 1.00 52.41 H new ATOM 21 N VAL A 3 2.587 -4.322 -3.751 1.00 75.13 N ATOM 22 CA VAL A 3 3.599 -5.293 -4.133 1.00 75.34 C ATOM 23 C VAL A 3 3.414 -5.661 -5.608 1.00 13.43 C ATOM 24 O VAL A 3 4.356 -5.580 -6.394 1.00 74.44 O ATOM 25 CB VAL A 3 3.538 -6.506 -3.202 1.00 52.14 C ATOM 26 CG1 VAL A 3 4.497 -6.340 -2.023 1.00 34.45 C ATOM 27 CG2 VAL A 3 2.108 -6.753 -2.717 1.00 44.44 C ATOM 0 H VAL A 3 1.626 -4.659 -3.816 1.00 75.13 H new ATOM 0 HA VAL A 3 4.597 -4.868 -4.026 1.00 75.34 H new ATOM 0 HB VAL A 3 3.854 -7.381 -3.770 1.00 52.14 H new ATOM 0 HG11 VAL A 3 4.434 -7.216 -1.377 1.00 34.45 H new ATOM 0 HG12 VAL A 3 5.516 -6.236 -2.395 1.00 34.45 H new ATOM 0 HG13 VAL A 3 4.225 -5.450 -1.455 1.00 34.45 H new ATOM 0 HG21 VAL A 3 2.092 -7.620 -2.057 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.752 -5.878 -2.174 1.00 44.44 H new ATOM 0 HG23 VAL A 3 1.460 -6.937 -3.574 1.00 44.44 H new ATOM 37 N GLU A 4 2.194 -6.057 -5.938 1.00 51.25 N ATOM 38 CA GLU A 4 1.873 -6.438 -7.302 1.00 54.55 C ATOM 39 C GLU A 4 2.524 -5.466 -8.290 1.00 41.14 C ATOM 40 O GLU A 4 3.184 -5.890 -9.238 1.00 54.03 O ATOM 41 CB GLU A 4 0.360 -6.503 -7.513 1.00 30.12 C ATOM 42 CG GLU A 4 -0.248 -7.689 -6.761 1.00 30.34 C ATOM 43 CD GLU A 4 -1.696 -7.929 -7.195 1.00 64.34 C ATOM 44 OE1 GLU A 4 -2.617 -7.806 -6.373 1.00 52.43 O ATOM 45 OE2 GLU A 4 -1.847 -8.251 -8.434 1.00 73.12 O1- ATOM 0 H GLU A 4 1.415 -6.122 -5.283 1.00 51.25 H new ATOM 0 HA GLU A 4 2.274 -7.435 -7.484 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.099 -5.576 -7.169 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.141 -6.592 -8.577 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.345 -8.585 -6.947 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -0.213 -7.501 -5.688 1.00 30.34 H new ATOM 53 N LYS A 5 2.314 -4.184 -8.034 1.00 75.51 N ATOM 54 CA LYS A 5 2.871 -3.149 -8.889 1.00 13.03 C ATOM 55 C LYS A 5 4.380 -3.366 -9.028 1.00 44.51 C ATOM 56 O LYS A 5 4.933 -3.224 -10.118 1.00 62.31 O ATOM 57 CB LYS A 5 2.495 -1.762 -8.366 1.00 32.11 C ATOM 58 CG LYS A 5 1.176 -1.285 -8.977 1.00 40.51 C ATOM 59 CD LYS A 5 0.048 -2.276 -8.690 1.00 51.43 C ATOM 60 CE LYS A 5 -0.311 -2.282 -7.203 1.00 34.33 C ATOM 61 NZ LYS A 5 -1.237 -3.395 -6.897 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.766 -3.838 -7.247 1.00 75.51 H new ATOM 0 HA LYS A 5 2.446 -3.212 -9.891 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.408 -1.790 -7.280 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.288 -1.053 -8.604 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.917 -0.307 -8.572 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.293 -1.164 -10.054 1.00 40.51 H new ATOM 0 HD2 LYS A 5 -0.831 -2.013 -9.279 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.351 -3.277 -8.999 1.00 51.43 H new ATOM 0 HE2 LYS A 5 0.595 -2.380 -6.605 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -0.772 -1.333 -6.930 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -2.164 -3.010 -6.625 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -1.345 -3.998 -7.738 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.853 -3.960 -6.113 1.00 61.11 H new ATOM 74 N GLY A 6 5.001 -3.706 -7.908 1.00 33.14 N ATOM 75 CA GLY A 6 6.435 -3.944 -7.892 1.00 41.25 C ATOM 76 C GLY A 6 6.762 -5.357 -8.377 1.00 61.35 C ATOM 77 O GLY A 6 7.905 -5.647 -8.730 1.00 72.04 O ATOM 0 H GLY A 6 4.539 -3.822 -7.006 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.936 -3.213 -8.527 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.819 -3.805 -6.881 1.00 41.25 H new ATOM 81 N LYS A 7 5.739 -6.198 -8.381 1.00 54.25 N ATOM 82 CA LYS A 7 5.904 -7.575 -8.817 1.00 13.43 C ATOM 83 C LYS A 7 5.992 -7.613 -10.344 1.00 11.22 C ATOM 84 O LYS A 7 6.872 -8.268 -10.902 1.00 40.24 O ATOM 85 CB LYS A 7 4.793 -8.456 -8.243 1.00 12.01 C ATOM 86 CG LYS A 7 4.946 -9.905 -8.708 1.00 61.14 C ATOM 87 CD LYS A 7 5.953 -10.658 -7.835 1.00 21.42 C ATOM 88 CE LYS A 7 5.681 -12.163 -7.858 1.00 53.44 C ATOM 89 NZ LYS A 7 4.740 -12.537 -6.779 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.793 -5.953 -8.089 1.00 54.25 H new ATOM 0 HA LYS A 7 6.836 -7.988 -8.432 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.818 -8.415 -7.154 1.00 12.01 H new ATOM 0 HB3 LYS A 7 3.822 -8.071 -8.554 1.00 12.01 H new ATOM 0 HG2 LYS A 7 3.979 -10.407 -8.670 1.00 61.14 H new ATOM 0 HG3 LYS A 7 5.274 -9.924 -9.747 1.00 61.14 H new ATOM 0 HD2 LYS A 7 6.965 -10.462 -8.190 1.00 21.42 H new ATOM 0 HD3 LYS A 7 5.898 -10.290 -6.810 1.00 21.42 H new ATOM 0 HE2 LYS A 7 5.267 -12.449 -8.825 1.00 53.44 H new ATOM 0 HE3 LYS A 7 6.617 -12.709 -7.738 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 4.567 -13.562 -6.809 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 5.149 -12.282 -5.858 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.842 -12.030 -6.911 1.00 74.43 H new ATOM 102 N LYS A 8 5.068 -6.905 -10.976 1.00 45.33 N ATOM 103 CA LYS A 8 5.031 -6.851 -12.428 1.00 12.01 C ATOM 104 C LYS A 8 6.292 -6.151 -12.940 1.00 54.24 C ATOM 105 O LYS A 8 6.844 -6.536 -13.970 1.00 40.24 O ATOM 106 CB LYS A 8 3.730 -6.202 -12.906 1.00 14.42 C ATOM 107 CG LYS A 8 2.523 -7.076 -12.563 1.00 34.03 C ATOM 108 CD LYS A 8 2.235 -8.077 -13.685 1.00 33.34 C ATOM 109 CE LYS A 8 3.017 -9.375 -13.476 1.00 60.43 C ATOM 110 NZ LYS A 8 2.305 -10.514 -14.098 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.340 -6.364 -10.510 1.00 45.33 H new ATOM 0 HA LYS A 8 5.032 -7.857 -12.848 1.00 12.01 H new ATOM 0 HB2 LYS A 8 3.617 -5.222 -12.443 1.00 14.42 H new ATOM 0 HB3 LYS A 8 3.773 -6.042 -13.983 1.00 14.42 H new ATOM 0 HG2 LYS A 8 2.710 -7.611 -11.632 1.00 34.03 H new ATOM 0 HG3 LYS A 8 1.648 -6.447 -12.399 1.00 34.03 H new ATOM 0 HD2 LYS A 8 1.167 -8.293 -13.719 1.00 33.34 H new ATOM 0 HD3 LYS A 8 2.502 -7.638 -14.646 1.00 33.34 H new ATOM 0 HE2 LYS A 8 4.013 -9.281 -13.909 1.00 60.43 H new ATOM 0 HE3 LYS A 8 3.149 -9.559 -12.410 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 2.849 -11.388 -13.947 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 1.364 -10.613 -13.666 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 2.201 -10.343 -15.119 1.00 31.43 H new ATOM 123 N ILE A 9 6.710 -5.137 -12.198 1.00 72.22 N ATOM 124 CA ILE A 9 7.895 -4.381 -12.565 1.00 63.35 C ATOM 125 C ILE A 9 9.126 -5.284 -12.454 1.00 74.32 C ATOM 126 O ILE A 9 9.932 -5.357 -13.379 1.00 34.45 O ATOM 127 CB ILE A 9 7.994 -3.101 -11.732 1.00 33.41 C ATOM 128 CG1 ILE A 9 6.911 -2.099 -12.136 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.397 -2.496 -11.819 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.753 -1.005 -11.078 1.00 3.44 C ATOM 0 H ILE A 9 6.250 -4.821 -11.344 1.00 72.22 H new ATOM 0 HA ILE A 9 7.832 -4.054 -13.603 1.00 63.35 H new ATOM 0 HB ILE A 9 7.820 -3.359 -10.687 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.167 -1.648 -13.095 1.00 13.20 H new ATOM 0 HG13 ILE A 9 5.962 -2.618 -12.271 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.439 -1.588 -11.218 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.127 -3.214 -11.444 1.00 10.42 H new ATOM 0 HG23 ILE A 9 9.626 -2.255 -12.857 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.977 -0.306 -11.390 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.473 -1.457 -10.126 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.696 -0.471 -10.963 1.00 3.44 H new ATOM 142 N PHE A 10 9.231 -5.947 -11.312 1.00 22.51 N ATOM 143 CA PHE A 10 10.350 -6.842 -11.067 1.00 30.30 C ATOM 144 C PHE A 10 10.390 -7.967 -12.104 1.00 54.03 C ATOM 145 O PHE A 10 11.462 -8.351 -12.567 1.00 62.33 O ATOM 146 CB PHE A 10 10.140 -7.450 -9.680 1.00 71.01 C ATOM 147 CG PHE A 10 11.059 -8.635 -9.374 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.320 -8.418 -8.911 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.616 -9.907 -9.567 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.172 -9.517 -8.629 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.468 -11.007 -9.283 1.00 63.41 C ATOM 152 CZ PHE A 10 12.728 -10.788 -8.821 1.00 72.24 C ATOM 0 H PHE A 10 8.560 -5.883 -10.546 1.00 22.51 H new ATOM 0 HA PHE A 10 11.288 -6.291 -11.132 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.298 -6.677 -8.928 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.103 -7.775 -9.590 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.673 -7.409 -8.758 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.616 -10.080 -9.936 1.00 65.44 H new ATOM 0 HE1 PHE A 10 14.173 -9.344 -8.262 1.00 45.31 H new ATOM 0 HE2 PHE A 10 11.116 -12.017 -9.434 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.377 -11.624 -8.606 1.00 72.24 H new ATOM 162 N ILE A 11 9.206 -8.462 -12.437 1.00 5.51 N ATOM 163 CA ILE A 11 9.092 -9.536 -13.410 1.00 1.20 C ATOM 164 C ILE A 11 9.350 -8.977 -14.811 1.00 50.30 C ATOM 165 O ILE A 11 9.496 -9.736 -15.768 1.00 63.10 O ATOM 166 CB ILE A 11 7.744 -10.245 -13.269 1.00 12.30 C ATOM 167 CG1 ILE A 11 7.598 -10.875 -11.882 1.00 73.50 C ATOM 168 CG2 ILE A 11 7.544 -11.270 -14.388 1.00 74.44 C ATOM 169 CD1 ILE A 11 6.140 -11.243 -11.598 1.00 31.21 C ATOM 0 H ILE A 11 8.319 -8.140 -12.051 1.00 5.51 H new ATOM 0 HA ILE A 11 9.848 -10.299 -13.226 1.00 1.20 H new ATOM 0 HB ILE A 11 6.954 -9.500 -13.369 1.00 12.30 H new ATOM 0 HG12 ILE A 11 8.221 -11.767 -11.816 1.00 73.50 H new ATOM 0 HG13 ILE A 11 7.956 -10.179 -11.123 1.00 73.50 H new ATOM 0 HG21 ILE A 11 6.578 -11.760 -14.264 1.00 74.44 H new ATOM 0 HG22 ILE A 11 7.574 -10.765 -15.354 1.00 74.44 H new ATOM 0 HG23 ILE A 11 8.337 -12.016 -14.344 1.00 74.44 H new ATOM 0 HD11 ILE A 11 6.064 -11.689 -10.606 1.00 31.21 H new ATOM 0 HD12 ILE A 11 5.523 -10.345 -11.641 1.00 31.21 H new ATOM 0 HD13 ILE A 11 5.793 -11.957 -12.345 1.00 31.21 H new ATOM 181 N MET A 12 9.399 -7.655 -14.886 1.00 24.33 N ATOM 182 CA MET A 12 9.636 -6.987 -16.155 1.00 1.20 C ATOM 183 C MET A 12 10.986 -6.267 -16.150 1.00 33.53 C ATOM 184 O MET A 12 11.402 -5.714 -17.167 1.00 42.35 O ATOM 185 CB MET A 12 8.519 -5.975 -16.415 1.00 60.40 C ATOM 186 CG MET A 12 7.370 -6.615 -17.198 1.00 23.04 C ATOM 187 SD MET A 12 6.433 -5.356 -18.046 1.00 15.25 S ATOM 188 CE MET A 12 4.867 -6.196 -18.214 1.00 65.42 C ATOM 0 H MET A 12 9.279 -7.029 -14.090 1.00 24.33 H new ATOM 0 HA MET A 12 9.648 -7.739 -16.944 1.00 1.20 H new ATOM 0 HB2 MET A 12 8.146 -5.588 -15.467 1.00 60.40 H new ATOM 0 HB3 MET A 12 8.915 -5.126 -16.972 1.00 60.40 H new ATOM 0 HG2 MET A 12 7.765 -7.333 -17.917 1.00 23.04 H new ATOM 0 HG3 MET A 12 6.721 -7.168 -16.520 1.00 23.04 H new ATOM 0 HE1 MET A 12 4.159 -5.546 -18.727 1.00 65.42 H new ATOM 0 HE2 MET A 12 5.005 -7.110 -18.792 1.00 65.42 H new ATOM 0 HE3 MET A 12 4.480 -6.446 -17.226 1.00 65.42 H new ATOM 198 N LYS A 13 11.633 -6.297 -14.994 1.00 62.15 N ATOM 199 CA LYS A 13 12.928 -5.655 -14.844 1.00 62.04 C ATOM 200 C LYS A 13 13.949 -6.684 -14.357 1.00 3.45 C ATOM 201 O LYS A 13 14.980 -6.891 -14.996 1.00 2.42 O ATOM 202 CB LYS A 13 12.814 -4.425 -13.939 1.00 42.23 C ATOM 203 CG LYS A 13 12.347 -3.203 -14.732 1.00 64.41 C ATOM 204 CD LYS A 13 12.003 -2.042 -13.797 1.00 24.41 C ATOM 205 CE LYS A 13 11.022 -1.074 -14.461 1.00 3.12 C ATOM 206 NZ LYS A 13 11.658 -0.405 -15.618 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.285 -6.756 -14.152 1.00 62.15 H new ATOM 0 HA LYS A 13 13.283 -5.284 -15.805 1.00 62.04 H new ATOM 0 HB2 LYS A 13 12.112 -4.628 -13.130 1.00 42.23 H new ATOM 0 HB3 LYS A 13 13.780 -4.217 -13.479 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.128 -2.896 -15.427 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.474 -3.465 -15.329 1.00 64.41 H new ATOM 0 HD2 LYS A 13 11.569 -2.429 -12.875 1.00 24.41 H new ATOM 0 HD3 LYS A 13 12.914 -1.510 -13.522 1.00 24.41 H new ATOM 0 HE2 LYS A 13 10.134 -1.615 -14.789 1.00 3.12 H new ATOM 0 HE3 LYS A 13 10.692 -0.328 -13.738 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 10.996 0.286 -16.026 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 12.520 0.085 -15.305 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 11.905 -1.115 -16.337 1.00 43.44 H new ATOM 219 N CYS A 14 13.629 -7.302 -13.230 1.00 12.24 N ATOM 220 CA CYS A 14 14.507 -8.304 -12.651 1.00 32.54 C ATOM 221 C CYS A 14 13.731 -9.619 -12.547 1.00 32.32 C ATOM 222 O CYS A 14 13.285 -9.997 -11.465 1.00 22.25 O ATOM 223 CB CYS A 14 15.057 -7.858 -11.295 1.00 14.53 C ATOM 224 SG CYS A 14 14.984 -6.055 -10.992 1.00 23.33 S ATOM 0 H CYS A 14 12.774 -7.128 -12.702 1.00 12.24 H new ATOM 0 HA CYS A 14 15.376 -8.445 -13.293 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.501 -8.367 -10.508 1.00 14.53 H new ATOM 0 HB3 CYS A 14 16.094 -8.184 -11.214 1.00 14.53 H new ATOM 229 N SER A 15 13.595 -10.280 -13.687 1.00 63.31 N ATOM 230 CA SER A 15 12.881 -11.545 -13.738 1.00 52.21 C ATOM 231 C SER A 15 13.780 -12.629 -14.336 1.00 14.32 C ATOM 232 O SER A 15 13.329 -13.746 -14.587 1.00 24.42 O ATOM 233 CB SER A 15 11.591 -11.417 -14.549 1.00 24.11 C ATOM 234 OG SER A 15 10.534 -12.198 -14.000 1.00 62.04 O ATOM 0 H SER A 15 13.967 -9.964 -14.583 1.00 63.31 H new ATOM 0 HA SER A 15 12.611 -11.827 -12.720 1.00 52.21 H new ATOM 0 HB2 SER A 15 11.288 -10.371 -14.584 1.00 24.11 H new ATOM 0 HB3 SER A 15 11.777 -11.730 -15.577 1.00 24.11 H new ATOM 0 HG SER A 15 10.837 -13.123 -13.884 1.00 62.04 H new ATOM 240 N GLN A 16 15.035 -12.262 -14.549 1.00 3.25 N ATOM 241 CA GLN A 16 16.000 -13.189 -15.114 1.00 0.11 C ATOM 242 C GLN A 16 17.124 -13.461 -14.112 1.00 64.21 C ATOM 243 O GLN A 16 17.636 -14.577 -14.035 1.00 52.24 O ATOM 244 CB GLN A 16 16.561 -12.659 -16.435 1.00 55.01 C ATOM 245 CG GLN A 16 17.682 -13.561 -16.955 1.00 51.45 C ATOM 246 CD GLN A 16 18.239 -13.035 -18.280 1.00 65.25 C ATOM 247 OE1 GLN A 16 17.549 -12.408 -19.067 1.00 12.42 O ATOM 248 NE2 GLN A 16 19.521 -13.324 -18.482 1.00 43.12 N ATOM 0 H GLN A 16 15.406 -11.335 -14.340 1.00 3.25 H new ATOM 0 HA GLN A 16 15.491 -14.130 -15.324 1.00 0.11 H new ATOM 0 HB2 GLN A 16 15.763 -12.600 -17.176 1.00 55.01 H new ATOM 0 HB3 GLN A 16 16.940 -11.647 -16.293 1.00 55.01 H new ATOM 0 HG2 GLN A 16 18.482 -13.616 -16.216 1.00 51.45 H new ATOM 0 HG3 GLN A 16 17.304 -14.574 -17.092 1.00 51.45 H new ATOM 0 HE21 GLN A 16 20.041 -13.853 -17.782 1.00 43.12 H new ATOM 0 HE22 GLN A 16 19.984 -13.017 -19.337 1.00 43.12 H new ATOM 257 N CYS A 17 17.474 -12.422 -13.368 1.00 41.41 N ATOM 258 CA CYS A 17 18.528 -12.534 -12.373 1.00 75.41 C ATOM 259 C CYS A 17 17.879 -12.813 -11.016 1.00 51.53 C ATOM 260 O CYS A 17 17.815 -13.960 -10.577 1.00 52.44 O ATOM 261 CB CYS A 17 19.410 -11.285 -12.339 1.00 31.53 C ATOM 262 SG CYS A 17 20.489 -11.068 -13.801 1.00 22.31 S ATOM 0 H CYS A 17 17.046 -11.498 -13.434 1.00 41.41 H new ATOM 0 HA CYS A 17 19.192 -13.359 -12.634 1.00 75.41 H new ATOM 0 HB2 CYS A 17 18.770 -10.408 -12.244 1.00 31.53 H new ATOM 0 HB3 CYS A 17 20.034 -11.322 -11.446 1.00 31.53 H new ATOM 267 N HIS A 18 17.414 -11.743 -10.388 1.00 64.33 N ATOM 268 CA HIS A 18 16.773 -11.857 -9.089 1.00 50.04 C ATOM 269 C HIS A 18 15.481 -12.667 -9.223 1.00 45.23 C ATOM 270 O HIS A 18 14.772 -12.551 -10.222 1.00 13.43 O ATOM 271 CB HIS A 18 16.544 -10.475 -8.473 1.00 30.21 C ATOM 272 CG HIS A 18 17.816 -9.721 -8.167 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.729 -10.144 -7.216 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.318 -8.568 -8.695 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.730 -9.278 -7.182 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.473 -8.301 -8.100 1.00 4.41 N ATOM 0 H HIS A 18 17.468 -10.793 -10.755 1.00 64.33 H new ATOM 0 HA HIS A 18 17.428 -12.393 -8.403 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.936 -9.880 -9.155 1.00 30.21 H new ATOM 0 HB3 HIS A 18 15.971 -10.589 -7.553 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.645 -10.981 -6.639 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.853 -7.973 -9.467 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.597 -9.335 -6.541 1.00 1.34 H new ATOM 284 N THR A 19 15.215 -13.469 -8.204 1.00 3.13 N ATOM 285 CA THR A 19 14.022 -14.298 -8.195 1.00 10.30 C ATOM 286 C THR A 19 13.087 -13.877 -7.060 1.00 53.54 C ATOM 287 O THR A 19 11.867 -13.954 -7.195 1.00 63.55 O ATOM 288 CB THR A 19 14.464 -15.760 -8.107 1.00 22.40 C ATOM 289 OG1 THR A 19 15.301 -15.802 -6.956 1.00 12.31 O ATOM 290 CG2 THR A 19 15.391 -16.163 -9.256 1.00 53.02 C ATOM 0 H THR A 19 15.806 -13.563 -7.378 1.00 3.13 H new ATOM 0 HA THR A 19 13.446 -14.171 -9.111 1.00 10.30 H new ATOM 0 HB THR A 19 13.585 -16.404 -8.107 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.230 -15.944 -7.232 1.00 12.31 H new ATOM 0 HG21 THR A 19 15.674 -17.210 -9.145 1.00 53.02 H new ATOM 0 HG22 THR A 19 14.874 -16.026 -10.206 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.286 -15.541 -9.237 1.00 53.02 H new ATOM 298 N VAL A 20 13.695 -13.440 -5.967 1.00 23.12 N ATOM 299 CA VAL A 20 12.933 -13.007 -4.809 1.00 24.13 C ATOM 300 C VAL A 20 11.892 -14.071 -4.461 1.00 41.42 C ATOM 301 O VAL A 20 10.838 -13.758 -3.908 1.00 25.44 O ATOM 302 CB VAL A 20 12.317 -11.631 -5.074 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.371 -10.647 -5.585 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.143 -11.735 -6.050 1.00 12.44 C ATOM 0 H VAL A 20 14.707 -13.377 -5.859 1.00 23.12 H new ATOM 0 HA VAL A 20 13.585 -12.896 -3.942 1.00 24.13 H new ATOM 0 HB VAL A 20 11.933 -11.248 -4.128 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.907 -9.677 -5.765 1.00 62.12 H new ATOM 0 HG12 VAL A 20 14.159 -10.539 -4.840 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.799 -11.023 -6.514 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.723 -10.744 -6.221 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.492 -12.150 -6.996 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.377 -12.386 -5.629 1.00 12.44 H new ATOM 314 N GLU A 21 12.221 -15.309 -4.800 1.00 11.10 N ATOM 315 CA GLU A 21 11.328 -16.422 -4.531 1.00 25.04 C ATOM 316 C GLU A 21 12.098 -17.579 -3.893 1.00 12.30 C ATOM 317 O GLU A 21 13.207 -17.900 -4.317 1.00 52.20 O ATOM 318 CB GLU A 21 10.615 -16.875 -5.807 1.00 44.12 C ATOM 319 CG GLU A 21 11.594 -17.550 -6.770 1.00 55.24 C ATOM 320 CD GLU A 21 11.281 -17.179 -8.221 1.00 31.53 C ATOM 321 OE1 GLU A 21 10.818 -16.060 -8.488 1.00 42.20 O ATOM 322 OE2 GLU A 21 11.535 -18.100 -9.087 1.00 50.23 O1- ATOM 0 H GLU A 21 13.095 -15.565 -5.259 1.00 11.10 H new ATOM 0 HA GLU A 21 10.565 -16.088 -3.828 1.00 25.04 H new ATOM 0 HB2 GLU A 21 9.812 -17.568 -5.553 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.153 -16.016 -6.294 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.613 -17.251 -6.526 1.00 55.24 H new ATOM 0 HG3 GLU A 21 11.542 -18.632 -6.648 1.00 55.24 H new ATOM 330 N LYS A 22 11.480 -18.174 -2.883 1.00 73.14 N ATOM 331 CA LYS A 22 12.094 -19.290 -2.182 1.00 13.40 C ATOM 332 C LYS A 22 12.276 -20.459 -3.152 1.00 71.42 C ATOM 333 O LYS A 22 13.299 -21.140 -3.124 1.00 40.23 O ATOM 334 CB LYS A 22 11.286 -19.648 -0.933 1.00 60.13 C ATOM 335 CG LYS A 22 9.943 -20.276 -1.309 1.00 54.23 C ATOM 336 CD LYS A 22 8.931 -20.129 -0.173 1.00 32.02 C ATOM 337 CE LYS A 22 7.893 -21.252 -0.214 1.00 72.12 C ATOM 338 NZ LYS A 22 6.997 -21.174 0.962 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.561 -17.905 -2.533 1.00 73.14 H new ATOM 0 HA LYS A 22 13.086 -19.015 -1.824 1.00 13.40 H new ATOM 0 HB2 LYS A 22 11.855 -20.342 -0.314 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.118 -18.752 -0.335 1.00 60.13 H new ATOM 0 HG2 LYS A 22 9.555 -19.801 -2.210 1.00 54.23 H new ATOM 0 HG3 LYS A 22 10.084 -21.332 -1.541 1.00 54.23 H new ATOM 0 HD2 LYS A 22 9.450 -20.144 0.785 1.00 32.02 H new ATOM 0 HD3 LYS A 22 8.431 -19.164 -0.250 1.00 32.02 H new ATOM 0 HE2 LYS A 22 7.307 -21.180 -1.130 1.00 72.12 H new ATOM 0 HE3 LYS A 22 8.396 -22.219 -0.232 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 6.299 -21.944 0.918 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 7.558 -21.265 1.833 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 6.504 -20.258 0.962 1.00 5.33 H new ATOM 351 N GLY A 23 11.268 -20.655 -3.989 1.00 32.25 N ATOM 352 CA GLY A 23 11.303 -21.729 -4.966 1.00 1.23 C ATOM 353 C GLY A 23 12.468 -21.545 -5.941 1.00 60.40 C ATOM 354 O GLY A 23 12.811 -22.463 -6.683 1.00 40.12 O ATOM 0 H GLY A 23 10.421 -20.087 -4.010 1.00 32.25 H new ATOM 0 HA2 GLY A 23 11.399 -22.687 -4.455 1.00 1.23 H new ATOM 0 HA3 GLY A 23 10.363 -21.755 -5.517 1.00 1.23 H new ATOM 358 N GLY A 24 13.043 -20.352 -5.906 1.00 42.54 N ATOM 359 CA GLY A 24 14.162 -20.036 -6.778 1.00 13.42 C ATOM 360 C GLY A 24 15.494 -20.214 -6.046 1.00 24.43 C ATOM 361 O GLY A 24 15.519 -20.412 -4.832 1.00 31.23 O ATOM 0 H GLY A 24 12.756 -19.593 -5.288 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.137 -20.681 -7.657 1.00 13.42 H new ATOM 0 HA3 GLY A 24 14.072 -19.009 -7.133 1.00 13.42 H new ATOM 365 N LYS A 25 16.570 -20.138 -6.816 1.00 43.10 N ATOM 366 CA LYS A 25 17.903 -20.288 -6.256 1.00 25.50 C ATOM 367 C LYS A 25 18.799 -19.161 -6.774 1.00 31.53 C ATOM 368 O LYS A 25 18.328 -18.252 -7.455 1.00 63.34 O ATOM 369 CB LYS A 25 18.449 -21.689 -6.542 1.00 45.42 C ATOM 370 CG LYS A 25 18.556 -21.939 -8.047 1.00 33.12 C ATOM 371 CD LYS A 25 19.050 -23.358 -8.333 1.00 51.15 C ATOM 372 CE LYS A 25 20.576 -23.398 -8.434 1.00 20.45 C ATOM 373 NZ LYS A 25 21.008 -24.496 -9.328 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.546 -19.975 -7.823 1.00 43.10 H new ATOM 0 HA LYS A 25 17.873 -20.198 -5.170 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.430 -21.802 -6.080 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.796 -22.437 -6.091 1.00 45.42 H new ATOM 0 HG2 LYS A 25 17.583 -21.788 -8.514 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.239 -21.216 -8.492 1.00 33.12 H new ATOM 0 HD2 LYS A 25 18.717 -24.029 -7.541 1.00 51.15 H new ATOM 0 HD3 LYS A 25 18.611 -23.719 -9.263 1.00 51.15 H new ATOM 0 HE2 LYS A 25 20.946 -22.445 -8.813 1.00 20.45 H new ATOM 0 HE3 LYS A 25 21.008 -23.537 -7.443 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 22.046 -24.509 -9.385 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 20.671 -25.404 -8.950 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 20.611 -24.347 -10.278 1.00 61.34 H new ATOM 386 N HIS A 26 20.075 -19.258 -6.432 1.00 35.31 N ATOM 387 CA HIS A 26 21.042 -18.258 -6.853 1.00 31.21 C ATOM 388 C HIS A 26 21.553 -18.598 -8.255 1.00 31.35 C ATOM 389 O HIS A 26 21.978 -19.723 -8.509 1.00 63.11 O ATOM 390 CB HIS A 26 22.168 -18.125 -5.827 1.00 60.42 C ATOM 391 CG HIS A 26 21.688 -17.907 -4.412 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.268 -16.987 -3.557 1.00 53.11 N ATOM 393 CD2 HIS A 26 20.677 -18.498 -3.713 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.629 -17.032 -2.398 1.00 4.22 C ATOM 395 NE2 HIS A 26 20.643 -17.969 -2.497 1.00 45.54 N ATOM 0 H HIS A 26 20.462 -20.014 -5.868 1.00 35.31 H new ATOM 0 HA HIS A 26 20.561 -17.281 -6.906 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.781 -19.026 -5.857 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.810 -17.293 -6.114 1.00 60.42 H new ATOM 0 HD2 HIS A 26 20.016 -19.266 -4.086 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.850 -16.432 -1.527 1.00 4.22 H new ATOM 0 HE2 HIS A 26 19.987 -18.221 -1.758 1.00 45.54 H new ATOM 403 N LYS A 27 21.493 -17.604 -9.128 1.00 43.43 N ATOM 404 CA LYS A 27 21.945 -17.782 -10.498 1.00 42.03 C ATOM 405 C LYS A 27 22.871 -16.626 -10.880 1.00 2.45 C ATOM 406 O LYS A 27 24.062 -16.653 -10.572 1.00 22.32 O ATOM 407 CB LYS A 27 20.750 -17.948 -11.439 1.00 4.12 C ATOM 408 CG LYS A 27 20.335 -19.417 -11.544 1.00 44.14 C ATOM 409 CD LYS A 27 19.647 -19.699 -12.881 1.00 74.23 C ATOM 410 CE LYS A 27 18.524 -18.694 -13.142 1.00 2.05 C ATOM 411 NZ LYS A 27 17.428 -18.878 -12.165 1.00 22.44 N1+ ATOM 0 H LYS A 27 21.138 -16.672 -8.914 1.00 43.43 H new ATOM 0 HA LYS A 27 22.525 -18.700 -10.591 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.911 -17.354 -11.076 1.00 4.12 H new ATOM 0 HB3 LYS A 27 21.005 -17.567 -12.428 1.00 4.12 H new ATOM 0 HG2 LYS A 27 21.213 -20.055 -11.441 1.00 44.14 H new ATOM 0 HG3 LYS A 27 19.661 -19.668 -10.725 1.00 44.14 H new ATOM 0 HD2 LYS A 27 20.378 -19.650 -13.688 1.00 74.23 H new ATOM 0 HD3 LYS A 27 19.241 -20.711 -12.879 1.00 74.23 H new ATOM 0 HE2 LYS A 27 18.914 -17.678 -13.074 1.00 2.05 H new ATOM 0 HE3 LYS A 27 18.142 -18.821 -14.155 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 16.638 -18.247 -12.407 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 17.103 -19.865 -12.190 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.772 -18.651 -11.210 1.00 22.44 H new ATOM 424 N THR A 28 22.290 -15.639 -11.544 1.00 45.00 N ATOM 425 CA THR A 28 23.049 -14.475 -11.971 1.00 61.12 C ATOM 426 C THR A 28 23.446 -13.625 -10.764 1.00 45.43 C ATOM 427 O THR A 28 24.512 -13.009 -10.756 1.00 2.21 O ATOM 428 CB THR A 28 22.209 -13.714 -13.000 1.00 35.30 C ATOM 429 OG1 THR A 28 21.687 -14.736 -13.846 1.00 61.25 O ATOM 430 CG2 THR A 28 23.065 -12.857 -13.935 1.00 51.31 C ATOM 0 H THR A 28 21.302 -15.620 -11.797 1.00 45.00 H new ATOM 0 HA THR A 28 23.986 -14.767 -12.446 1.00 61.12 H new ATOM 0 HB THR A 28 21.489 -13.079 -12.483 1.00 35.30 H new ATOM 0 HG1 THR A 28 21.128 -14.331 -14.542 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.421 -12.339 -14.645 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.622 -12.126 -13.350 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.762 -13.496 -14.477 1.00 51.31 H new ATOM 438 N GLY A 29 22.569 -13.617 -9.771 1.00 10.45 N ATOM 439 CA GLY A 29 22.814 -12.852 -8.560 1.00 52.43 C ATOM 440 C GLY A 29 22.322 -13.608 -7.324 1.00 73.33 C ATOM 441 O GLY A 29 21.961 -14.780 -7.413 1.00 12.41 O ATOM 0 H GLY A 29 21.687 -14.129 -9.780 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.880 -12.647 -8.465 1.00 52.43 H new ATOM 0 HA3 GLY A 29 22.309 -11.888 -8.626 1.00 52.43 H new ATOM 445 N PRO A 30 22.326 -12.888 -6.171 1.00 64.11 N ATOM 446 CA PRO A 30 21.884 -13.479 -4.919 1.00 53.23 C ATOM 447 C PRO A 30 20.360 -13.603 -4.877 1.00 41.02 C ATOM 448 O PRO A 30 19.652 -12.801 -5.484 1.00 1.24 O ATOM 449 CB PRO A 30 22.435 -12.565 -3.837 1.00 21.01 C ATOM 450 CG PRO A 30 22.765 -11.251 -4.528 1.00 61.15 C ATOM 451 CD PRO A 30 22.747 -11.497 -6.029 1.00 30.43 C ATOM 0 HA PRO A 30 22.246 -14.498 -4.785 1.00 53.23 H new ATOM 0 HB2 PRO A 30 21.704 -12.415 -3.043 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.323 -12.997 -3.376 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.039 -10.485 -4.258 1.00 61.15 H new ATOM 0 HG3 PRO A 30 23.743 -10.889 -4.212 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.056 -10.821 -6.533 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.731 -11.334 -6.469 1.00 30.43 H new ATOM 459 N ASN A 31 19.899 -14.615 -4.157 1.00 42.21 N ATOM 460 CA ASN A 31 18.472 -14.855 -4.029 1.00 54.23 C ATOM 461 C ASN A 31 17.891 -13.897 -2.987 1.00 24.12 C ATOM 462 O ASN A 31 18.275 -13.937 -1.818 1.00 22.02 O ATOM 463 CB ASN A 31 18.194 -16.285 -3.565 1.00 1.42 C ATOM 464 CG ASN A 31 16.727 -16.659 -3.791 1.00 33.11 C ATOM 465 OD1 ASN A 31 15.869 -16.445 -2.951 1.00 34.33 O ATOM 466 ND2 ASN A 31 16.489 -17.228 -4.969 1.00 24.23 N ATOM 0 H ASN A 31 20.489 -15.279 -3.656 1.00 42.21 H new ATOM 0 HA ASN A 31 18.014 -14.698 -5.005 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.837 -16.978 -4.106 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.439 -16.382 -2.507 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.541 -17.514 -5.215 1.00 24.23 H new ATOM 0 HD22 ASN A 31 17.254 -17.378 -5.627 1.00 24.23 H new ATOM 473 N LEU A 32 16.974 -13.059 -3.447 1.00 74.54 N ATOM 474 CA LEU A 32 16.335 -12.093 -2.569 1.00 5.51 C ATOM 475 C LEU A 32 15.492 -12.835 -1.530 1.00 71.53 C ATOM 476 O LEU A 32 14.266 -12.867 -1.629 1.00 22.25 O ATOM 477 CB LEU A 32 15.545 -11.068 -3.384 1.00 14.14 C ATOM 478 CG LEU A 32 16.306 -9.805 -3.794 1.00 30.32 C ATOM 479 CD1 LEU A 32 17.001 -9.999 -5.143 1.00 72.11 C ATOM 480 CD2 LEU A 32 15.384 -8.585 -3.794 1.00 23.23 C ATOM 0 H LEU A 32 16.658 -13.029 -4.416 1.00 74.54 H new ATOM 0 HA LEU A 32 17.085 -11.521 -2.022 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.178 -11.556 -4.287 1.00 14.14 H new ATOM 0 HB3 LEU A 32 14.671 -10.770 -2.806 1.00 14.14 H new ATOM 0 HG LEU A 32 17.084 -9.619 -3.054 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.535 -9.087 -5.412 1.00 72.11 H new ATOM 0 HD12 LEU A 32 17.708 -10.826 -5.073 1.00 72.11 H new ATOM 0 HD13 LEU A 32 16.256 -10.222 -5.907 1.00 72.11 H new ATOM 0 HD21 LEU A 32 15.950 -7.701 -4.089 1.00 23.23 H new ATOM 0 HD22 LEU A 32 14.568 -8.745 -4.499 1.00 23.23 H new ATOM 0 HD23 LEU A 32 14.976 -8.437 -2.794 1.00 23.23 H new ATOM 492 N HIS A 33 16.183 -13.410 -0.556 1.00 14.50 N ATOM 493 CA HIS A 33 15.511 -14.149 0.501 1.00 13.44 C ATOM 494 C HIS A 33 15.619 -13.375 1.816 1.00 62.54 C ATOM 495 O HIS A 33 14.620 -12.875 2.329 1.00 23.12 O ATOM 496 CB HIS A 33 16.064 -15.572 0.603 1.00 5.43 C ATOM 497 CG HIS A 33 15.498 -16.370 1.753 1.00 22.13 C ATOM 498 ND1 HIS A 33 14.273 -17.012 1.689 1.00 13.25 N ATOM 499 CD2 HIS A 33 16.001 -16.623 2.996 1.00 23.11 C ATOM 500 CE1 HIS A 33 14.059 -17.620 2.847 1.00 64.43 C ATOM 501 NE2 HIS A 33 15.130 -17.378 3.655 1.00 50.42 N ATOM 0 H HIS A 33 17.199 -13.379 -0.476 1.00 14.50 H new ATOM 0 HA HIS A 33 14.452 -14.249 0.265 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.857 -16.099 -0.328 1.00 5.43 H new ATOM 0 HB3 HIS A 33 17.148 -15.523 0.707 1.00 5.43 H new ATOM 0 HD2 HIS A 33 16.947 -16.269 3.379 1.00 23.11 H new ATOM 0 HE1 HIS A 33 13.189 -18.205 3.105 1.00 64.43 H new ATOM 0 HE2 HIS A 33 15.244 -17.721 4.609 1.00 50.42 H new ATOM 509 N GLY A 34 16.841 -13.302 2.324 1.00 75.21 N ATOM 510 CA GLY A 34 17.093 -12.598 3.570 1.00 51.24 C ATOM 511 C GLY A 34 17.704 -11.221 3.307 1.00 41.32 C ATOM 512 O GLY A 34 18.404 -10.675 4.160 1.00 23.54 O ATOM 0 H GLY A 34 17.667 -13.719 1.895 1.00 75.21 H new ATOM 0 HA2 GLY A 34 16.161 -12.487 4.124 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.766 -13.185 4.194 1.00 51.24 H new ATOM 516 N LEU A 35 17.420 -10.698 2.123 1.00 32.14 N ATOM 517 CA LEU A 35 17.935 -9.395 1.737 1.00 14.33 C ATOM 518 C LEU A 35 17.861 -8.447 2.936 1.00 14.32 C ATOM 519 O LEU A 35 18.877 -8.157 3.567 1.00 23.33 O ATOM 520 CB LEU A 35 17.204 -8.876 0.497 1.00 1.34 C ATOM 521 CG LEU A 35 17.206 -7.359 0.304 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.634 -6.824 0.174 1.00 23.22 C ATOM 523 CD2 LEU A 35 16.334 -6.957 -0.888 1.00 20.03 C ATOM 0 H LEU A 35 16.840 -11.153 1.418 1.00 32.14 H new ATOM 0 HA LEU A 35 18.985 -9.469 1.452 1.00 14.33 H new ATOM 0 HB2 LEU A 35 17.653 -9.335 -0.384 1.00 1.34 H new ATOM 0 HB3 LEU A 35 16.169 -9.215 0.541 1.00 1.34 H new ATOM 0 HG LEU A 35 16.770 -6.902 1.192 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.607 -5.743 0.038 1.00 23.22 H new ATOM 0 HD12 LEU A 35 19.195 -7.062 1.078 1.00 23.22 H new ATOM 0 HD13 LEU A 35 19.119 -7.286 -0.686 1.00 23.22 H new ATOM 0 HD21 LEU A 35 16.353 -5.873 -1.003 1.00 20.03 H new ATOM 0 HD22 LEU A 35 16.718 -7.425 -1.794 1.00 20.03 H new ATOM 0 HD23 LEU A 35 15.309 -7.286 -0.716 1.00 20.03 H new ATOM 535 N PHE A 36 16.650 -7.990 3.215 1.00 5.35 N ATOM 536 CA PHE A 36 16.430 -7.081 4.328 1.00 22.24 C ATOM 537 C PHE A 36 16.743 -7.762 5.661 1.00 61.41 C ATOM 538 O PHE A 36 16.705 -8.987 5.761 1.00 2.04 O ATOM 539 CB PHE A 36 14.951 -6.691 4.301 1.00 52.13 C ATOM 540 CG PHE A 36 14.643 -5.479 3.419 1.00 23.51 C ATOM 541 CD1 PHE A 36 14.632 -5.608 2.066 1.00 23.43 C ATOM 542 CD2 PHE A 36 14.381 -4.272 3.989 1.00 33.42 C ATOM 543 CE1 PHE A 36 14.346 -4.483 1.247 1.00 12.33 C ATOM 544 CE2 PHE A 36 14.095 -3.148 3.171 1.00 1.43 C ATOM 545 CZ PHE A 36 14.083 -3.277 1.817 1.00 2.54 C ATOM 0 H PHE A 36 15.810 -8.232 2.690 1.00 5.35 H new ATOM 0 HA PHE A 36 17.081 -6.212 4.234 1.00 22.24 H new ATOM 0 HB2 PHE A 36 14.368 -7.542 3.948 1.00 52.13 H new ATOM 0 HB3 PHE A 36 14.623 -6.480 5.319 1.00 52.13 H new ATOM 0 HD1 PHE A 36 14.841 -6.566 1.613 1.00 23.43 H new ATOM 0 HD2 PHE A 36 14.391 -4.169 5.064 1.00 33.42 H new ATOM 0 HE1 PHE A 36 14.337 -4.586 0.172 1.00 12.33 H new ATOM 0 HE2 PHE A 36 13.887 -2.190 3.624 1.00 1.43 H new ATOM 0 HZ PHE A 36 13.865 -2.422 1.195 1.00 2.54 H new ATOM 555 N GLY A 37 17.043 -6.937 6.654 1.00 15.13 N ATOM 556 CA GLY A 37 17.361 -7.444 7.978 1.00 44.23 C ATOM 557 C GLY A 37 18.776 -8.026 8.016 1.00 13.23 C ATOM 558 O GLY A 37 19.221 -8.516 9.054 1.00 33.14 O ATOM 0 H GLY A 37 17.072 -5.921 6.568 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.274 -6.641 8.710 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.640 -8.211 8.260 1.00 44.23 H new ATOM 562 N ARG A 38 19.443 -7.952 6.875 1.00 71.12 N ATOM 563 CA ARG A 38 20.798 -8.466 6.764 1.00 72.15 C ATOM 564 C ARG A 38 21.744 -7.367 6.278 1.00 53.24 C ATOM 565 O ARG A 38 21.301 -6.355 5.737 1.00 74.14 O ATOM 566 CB ARG A 38 20.862 -9.650 5.797 1.00 13.11 C ATOM 567 CG ARG A 38 21.990 -10.610 6.180 1.00 61.12 C ATOM 568 CD ARG A 38 21.799 -11.974 5.513 1.00 23.15 C ATOM 569 NE ARG A 38 20.522 -12.578 5.955 1.00 44.20 N ATOM 570 CZ ARG A 38 20.369 -13.270 7.103 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.415 -13.452 7.938 1.00 2.45 N ATOM 572 NH2 ARG A 38 19.182 -13.767 7.398 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.071 -7.544 6.018 1.00 71.12 H new ATOM 0 HA ARG A 38 21.106 -8.804 7.753 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.910 -10.181 5.803 1.00 13.11 H new ATOM 0 HB3 ARG A 38 21.018 -9.287 4.781 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.949 -10.187 5.882 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.017 -10.731 7.263 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.802 -11.862 4.429 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.630 -12.632 5.767 1.00 23.15 H new ATOM 0 HE ARG A 38 19.706 -12.464 5.354 1.00 44.20 H new ATOM 0 HH11 ARG A 38 22.329 -13.065 7.703 1.00 2.45 H new ATOM 0 HH12 ARG A 38 21.291 -13.976 8.804 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.397 -13.625 6.762 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.050 -14.293 8.262 1.00 43.34 H new ATOM 585 N LYS A 39 23.032 -7.603 6.487 1.00 1.25 N ATOM 586 CA LYS A 39 24.044 -6.645 6.076 1.00 23.04 C ATOM 587 C LYS A 39 24.386 -6.872 4.602 1.00 30.04 C ATOM 588 O LYS A 39 23.846 -7.777 3.968 1.00 3.20 O ATOM 589 CB LYS A 39 25.257 -6.715 7.007 1.00 65.41 C ATOM 590 CG LYS A 39 25.090 -5.769 8.197 1.00 52.45 C ATOM 591 CD LYS A 39 23.984 -6.256 9.134 1.00 54.13 C ATOM 592 CE LYS A 39 24.475 -7.414 10.006 1.00 12.24 C ATOM 593 NZ LYS A 39 25.321 -6.909 11.110 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.397 -8.443 6.935 1.00 1.25 H new ATOM 0 HA LYS A 39 23.663 -5.627 6.162 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.387 -7.736 7.365 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.160 -6.454 6.454 1.00 65.41 H new ATOM 0 HG2 LYS A 39 26.030 -5.698 8.744 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.853 -4.767 7.839 1.00 52.45 H new ATOM 0 HD2 LYS A 39 23.651 -5.434 9.768 1.00 54.13 H new ATOM 0 HD3 LYS A 39 23.122 -6.576 8.549 1.00 54.13 H new ATOM 0 HE2 LYS A 39 23.622 -7.958 10.413 1.00 12.24 H new ATOM 0 HE3 LYS A 39 25.042 -8.119 9.399 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.534 -7.686 11.768 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.209 -6.531 10.722 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 24.816 -6.155 11.617 1.00 2.13 H new ATOM 606 N THR A 40 25.282 -6.035 4.100 1.00 35.13 N ATOM 607 CA THR A 40 25.703 -6.133 2.713 1.00 75.44 C ATOM 608 C THR A 40 26.819 -7.169 2.566 1.00 43.11 C ATOM 609 O THR A 40 27.901 -7.004 3.128 1.00 72.31 O ATOM 610 CB THR A 40 26.105 -4.735 2.240 1.00 74.21 C ATOM 611 OG1 THR A 40 26.833 -4.193 3.339 1.00 42.25 O ATOM 612 CG2 THR A 40 24.903 -3.799 2.093 1.00 52.34 C ATOM 0 H THR A 40 25.728 -5.286 4.629 1.00 35.13 H new ATOM 0 HA THR A 40 24.890 -6.485 2.077 1.00 75.44 H new ATOM 0 HB THR A 40 26.626 -4.811 1.286 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.457 -4.867 3.682 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.243 -2.820 1.755 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.207 -4.213 1.364 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.402 -3.696 3.056 1.00 52.34 H new ATOM 620 N GLY A 41 26.519 -8.213 1.808 1.00 61.55 N ATOM 621 CA GLY A 41 27.485 -9.275 1.579 1.00 62.50 C ATOM 622 C GLY A 41 27.503 -10.260 2.750 1.00 21.13 C ATOM 623 O GLY A 41 28.554 -10.517 3.334 1.00 23.11 O ATOM 0 H GLY A 41 25.620 -8.347 1.344 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.239 -9.803 0.658 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.478 -8.846 1.444 1.00 62.50 H new ATOM 627 N GLN A 42 26.326 -10.784 3.058 1.00 20.11 N ATOM 628 CA GLN A 42 26.192 -11.736 4.148 1.00 50.44 C ATOM 629 C GLN A 42 25.909 -13.136 3.600 1.00 23.41 C ATOM 630 O GLN A 42 26.323 -14.133 4.190 1.00 22.22 O ATOM 631 CB GLN A 42 25.100 -11.298 5.127 1.00 22.15 C ATOM 632 CG GLN A 42 25.431 -9.941 5.748 1.00 43.33 C ATOM 633 CD GLN A 42 26.892 -9.888 6.201 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.334 -10.645 7.049 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.614 -8.952 5.591 1.00 55.35 N ATOM 0 H GLN A 42 25.456 -10.567 2.572 1.00 20.11 H new ATOM 0 HA GLN A 42 27.134 -11.766 4.695 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.143 -11.240 4.608 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.991 -12.045 5.914 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.242 -9.149 5.023 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.775 -9.757 6.599 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.182 -8.351 4.889 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.600 -8.835 5.825 1.00 55.35 H new ATOM 644 N ALA A 43 25.207 -13.165 2.477 1.00 70.23 N ATOM 645 CA ALA A 43 24.863 -14.427 1.842 1.00 30.12 C ATOM 646 C ALA A 43 26.053 -15.383 1.941 1.00 64.14 C ATOM 647 O ALA A 43 26.999 -15.286 1.162 1.00 13.20 O ATOM 648 CB ALA A 43 24.440 -14.171 0.394 1.00 22.12 C ATOM 0 H ALA A 43 24.867 -12.336 1.990 1.00 70.23 H new ATOM 0 HA ALA A 43 24.020 -14.896 2.350 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.182 -15.117 -0.082 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.574 -13.509 0.380 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.262 -13.704 -0.148 1.00 22.12 H new ATOM 654 N PRO A 44 25.964 -16.309 2.934 1.00 21.12 N ATOM 655 CA PRO A 44 27.022 -17.282 3.146 1.00 3.52 C ATOM 656 C PRO A 44 26.984 -18.375 2.076 1.00 70.11 C ATOM 657 O PRO A 44 27.817 -19.280 2.079 1.00 13.44 O ATOM 658 CB PRO A 44 26.790 -17.817 4.549 1.00 43.33 C ATOM 659 CG PRO A 44 25.350 -17.469 4.895 1.00 50.30 C ATOM 660 CD PRO A 44 24.859 -16.453 3.877 1.00 14.51 C ATOM 0 HA PRO A 44 28.017 -16.846 3.060 1.00 3.52 H new ATOM 0 HB2 PRO A 44 26.952 -18.894 4.588 1.00 43.33 H new ATOM 0 HB3 PRO A 44 27.483 -17.365 5.259 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.726 -18.362 4.874 1.00 50.30 H new ATOM 0 HG3 PRO A 44 25.288 -17.060 5.903 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.954 -16.799 3.377 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.617 -15.502 4.352 1.00 14.51 H new ATOM 668 N GLY A 45 26.009 -18.255 1.187 1.00 63.41 N ATOM 669 CA GLY A 45 25.852 -19.221 0.113 1.00 62.30 C ATOM 670 C GLY A 45 26.485 -18.709 -1.182 1.00 51.31 C ATOM 671 O GLY A 45 27.117 -19.472 -1.911 1.00 1.41 O ATOM 0 H GLY A 45 25.320 -17.503 1.188 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.314 -20.166 0.399 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.793 -19.420 -0.050 1.00 62.30 H new ATOM 675 N TYR A 46 26.294 -17.422 -1.429 1.00 31.42 N ATOM 676 CA TYR A 46 26.838 -16.800 -2.623 1.00 33.33 C ATOM 677 C TYR A 46 27.611 -15.526 -2.274 1.00 21.45 C ATOM 678 O TYR A 46 27.060 -14.427 -2.325 1.00 53.01 O ATOM 679 CB TYR A 46 25.635 -16.430 -3.492 1.00 11.41 C ATOM 680 CG TYR A 46 26.005 -15.738 -4.805 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.110 -16.156 -5.519 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.233 -14.694 -5.277 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.457 -15.505 -6.755 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.581 -14.043 -6.513 1.00 4.30 C ATOM 685 CZ TYR A 46 26.677 -14.480 -7.191 1.00 64.21 C ATOM 686 OH TYR A 46 27.005 -13.865 -8.359 1.00 73.20 O ATOM 0 H TYR A 46 25.769 -16.792 -0.822 1.00 31.42 H new ATOM 0 HA TYR A 46 27.526 -17.477 -3.129 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.070 -17.335 -3.717 1.00 11.41 H new ATOM 0 HB3 TYR A 46 24.975 -15.776 -2.922 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.714 -16.972 -5.150 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.368 -14.366 -4.719 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.318 -15.824 -7.324 1.00 41.12 H new ATOM 0 HE2 TYR A 46 24.986 -13.226 -6.894 1.00 4.30 H new ATOM 0 HH TYR A 46 26.359 -13.152 -8.546 1.00 73.20 H new ATOM 696 N SER A 47 28.876 -15.715 -1.928 1.00 61.13 N ATOM 697 CA SER A 47 29.729 -14.595 -1.572 1.00 50.02 C ATOM 698 C SER A 47 29.851 -13.632 -2.754 1.00 61.25 C ATOM 699 O SER A 47 30.265 -14.028 -3.842 1.00 74.42 O ATOM 700 CB SER A 47 31.115 -15.076 -1.134 1.00 64.01 C ATOM 701 OG SER A 47 31.164 -15.362 0.261 1.00 62.20 O ATOM 0 H SER A 47 29.330 -16.627 -1.887 1.00 61.13 H new ATOM 0 HA SER A 47 29.273 -14.072 -0.732 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.383 -15.970 -1.697 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.856 -14.314 -1.374 1.00 64.01 H new ATOM 0 HG SER A 47 32.064 -15.667 0.501 1.00 62.20 H new ATOM 707 N TYR A 48 29.483 -12.384 -2.500 1.00 23.43 N ATOM 708 CA TYR A 48 29.546 -11.361 -3.531 1.00 51.03 C ATOM 709 C TYR A 48 30.974 -10.838 -3.697 1.00 50.11 C ATOM 710 O TYR A 48 31.903 -11.350 -3.075 1.00 44.52 O ATOM 711 CB TYR A 48 28.650 -10.220 -3.046 1.00 20.35 C ATOM 712 CG TYR A 48 27.308 -10.682 -2.475 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.807 -11.924 -2.808 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.598 -9.857 -1.627 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.543 -12.359 -2.271 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.335 -10.291 -1.089 1.00 74.50 C ATOM 717 CZ TYR A 48 24.870 -11.521 -1.438 1.00 31.14 C ATOM 718 OH TYR A 48 23.677 -11.932 -0.930 1.00 23.04 O ATOM 0 H TYR A 48 29.140 -12.058 -1.596 1.00 23.43 H new ATOM 0 HA TYR A 48 29.227 -11.763 -4.492 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.182 -9.653 -2.282 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.465 -9.539 -3.877 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.363 -12.570 -3.471 1.00 3.33 H new ATOM 0 HD2 TYR A 48 26.990 -8.885 -1.367 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.139 -13.328 -2.524 1.00 31.53 H new ATOM 0 HE2 TYR A 48 24.770 -9.655 -0.424 1.00 74.50 H new ATOM 0 HH TYR A 48 23.310 -11.232 -0.350 1.00 23.04 H new ATOM 728 N THR A 49 31.103 -9.824 -4.539 1.00 5.20 N ATOM 729 CA THR A 49 32.403 -9.225 -4.795 1.00 43.03 C ATOM 730 C THR A 49 32.913 -8.503 -3.546 1.00 11.41 C ATOM 731 O THR A 49 32.281 -8.557 -2.492 1.00 40.24 O ATOM 732 CB THR A 49 32.269 -8.309 -6.014 1.00 0.23 C ATOM 733 OG1 THR A 49 31.075 -7.572 -5.765 1.00 65.43 O ATOM 734 CG2 THR A 49 31.968 -9.084 -7.297 1.00 63.33 C ATOM 0 H THR A 49 30.330 -9.402 -5.053 1.00 5.20 H new ATOM 0 HA THR A 49 33.151 -9.985 -5.021 1.00 43.03 H new ATOM 0 HB THR A 49 33.189 -7.738 -6.142 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.913 -6.952 -6.506 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.883 -8.388 -8.131 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.776 -9.789 -7.494 1.00 63.33 H new ATOM 0 HG23 THR A 49 31.031 -9.629 -7.182 1.00 63.33 H new ATOM 742 N ALA A 50 34.051 -7.843 -3.706 1.00 63.11 N ATOM 743 CA ALA A 50 34.653 -7.112 -2.604 1.00 4.40 C ATOM 744 C ALA A 50 34.158 -5.665 -2.627 1.00 24.52 C ATOM 745 O ALA A 50 34.718 -4.803 -1.952 1.00 65.45 O ATOM 746 CB ALA A 50 36.177 -7.209 -2.699 1.00 22.44 C ATOM 0 H ALA A 50 34.572 -7.799 -4.582 1.00 63.11 H new ATOM 0 HA ALA A 50 34.358 -7.546 -1.649 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.629 -6.661 -1.872 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.479 -8.255 -2.648 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.511 -6.780 -3.644 1.00 22.44 H new ATOM 752 N ALA A 51 33.115 -5.443 -3.413 1.00 22.13 N ATOM 753 CA ALA A 51 32.538 -4.114 -3.534 1.00 24.51 C ATOM 754 C ALA A 51 31.341 -3.995 -2.588 1.00 32.14 C ATOM 755 O ALA A 51 31.301 -3.105 -1.740 1.00 53.32 O ATOM 756 CB ALA A 51 32.157 -3.853 -4.992 1.00 73.13 C ATOM 0 H ALA A 51 32.654 -6.161 -3.973 1.00 22.13 H new ATOM 0 HA ALA A 51 33.263 -3.353 -3.246 1.00 24.51 H new ATOM 0 HB1 ALA A 51 31.724 -2.857 -5.082 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.047 -3.921 -5.618 1.00 73.13 H new ATOM 0 HB3 ALA A 51 31.428 -4.596 -5.316 1.00 73.13 H new ATOM 762 N ASN A 52 30.394 -4.905 -2.767 1.00 72.12 N ATOM 763 CA ASN A 52 29.199 -4.913 -1.940 1.00 72.03 C ATOM 764 C ASN A 52 29.518 -5.569 -0.595 1.00 44.33 C ATOM 765 O ASN A 52 28.912 -5.236 0.421 1.00 21.23 O ATOM 766 CB ASN A 52 28.077 -5.714 -2.602 1.00 71.24 C ATOM 767 CG ASN A 52 26.719 -5.369 -1.987 1.00 1.21 C ATOM 768 OD1 ASN A 52 25.909 -4.661 -2.562 1.00 10.34 O ATOM 769 ND2 ASN A 52 26.517 -5.907 -0.788 1.00 51.41 N ATOM 0 H ASN A 52 30.430 -5.641 -3.472 1.00 72.12 H new ATOM 0 HA ASN A 52 28.875 -3.881 -1.806 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.059 -5.505 -3.672 1.00 71.24 H new ATOM 0 HB3 ASN A 52 28.271 -6.781 -2.488 1.00 71.24 H new ATOM 0 HD21 ASN A 52 25.642 -5.736 -0.293 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.237 -6.491 -0.363 1.00 51.41 H new ATOM 776 N LYS A 53 30.470 -6.490 -0.634 1.00 31.33 N ATOM 777 CA LYS A 53 30.877 -7.195 0.569 1.00 23.25 C ATOM 778 C LYS A 53 31.597 -6.225 1.507 1.00 40.10 C ATOM 779 O LYS A 53 31.763 -6.507 2.692 1.00 44.44 O ATOM 780 CB LYS A 53 31.704 -8.432 0.211 1.00 41.40 C ATOM 781 CG LYS A 53 31.870 -9.351 1.423 1.00 75.03 C ATOM 782 CD LYS A 53 33.188 -10.125 1.348 1.00 74.12 C ATOM 783 CE LYS A 53 33.132 -11.386 2.213 1.00 55.52 C ATOM 784 NZ LYS A 53 32.248 -12.399 1.596 1.00 13.54 N1+ ATOM 0 H LYS A 53 30.971 -6.764 -1.479 1.00 31.33 H new ATOM 0 HA LYS A 53 30.004 -7.567 1.105 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.218 -8.977 -0.599 1.00 41.40 H new ATOM 0 HB3 LYS A 53 32.684 -8.125 -0.154 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.843 -8.760 2.338 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.035 -10.051 1.470 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.395 -10.398 0.313 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.008 -9.488 1.680 1.00 74.12 H new ATOM 0 HE2 LYS A 53 34.135 -11.796 2.334 1.00 55.52 H new ATOM 0 HE3 LYS A 53 32.767 -11.135 3.209 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.484 -13.340 1.971 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 31.257 -12.176 1.818 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 32.381 -12.394 0.565 1.00 13.54 H new ATOM 797 N ASN A 54 32.006 -5.099 0.940 1.00 32.11 N ATOM 798 CA ASN A 54 32.705 -4.084 1.709 1.00 62.53 C ATOM 799 C ASN A 54 31.702 -3.339 2.593 1.00 21.52 C ATOM 800 O ASN A 54 31.973 -3.081 3.765 1.00 54.24 O ATOM 801 CB ASN A 54 33.377 -3.060 0.791 1.00 4.13 C ATOM 802 CG ASN A 54 34.794 -3.501 0.423 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.296 -4.514 0.881 1.00 64.31 O ATOM 804 ND2 ASN A 54 35.410 -2.686 -0.428 1.00 31.23 N ATOM 0 H ASN A 54 31.866 -4.868 -0.044 1.00 32.11 H new ATOM 0 HA ASN A 54 33.465 -4.582 2.310 1.00 62.53 H new ATOM 0 HB2 ASN A 54 32.784 -2.935 -0.115 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.411 -2.090 1.286 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.360 -2.893 -0.735 1.00 31.23 H new ATOM 0 HD22 ASN A 54 34.932 -1.854 -0.773 1.00 31.23 H new ATOM 811 N LYS A 55 30.564 -3.016 1.998 1.00 3.10 N ATOM 812 CA LYS A 55 29.519 -2.306 2.716 1.00 52.01 C ATOM 813 C LYS A 55 29.247 -3.015 4.044 1.00 71.13 C ATOM 814 O LYS A 55 29.559 -4.195 4.197 1.00 34.34 O ATOM 815 CB LYS A 55 28.276 -2.149 1.837 1.00 61.43 C ATOM 816 CG LYS A 55 28.333 -0.849 1.033 1.00 35.11 C ATOM 817 CD LYS A 55 28.461 0.362 1.959 1.00 31.33 C ATOM 818 CE LYS A 55 27.886 1.618 1.301 1.00 31.13 C ATOM 819 NZ LYS A 55 28.387 1.753 -0.086 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.342 -3.233 1.026 1.00 3.10 H new ATOM 0 HA LYS A 55 29.842 -1.293 2.955 1.00 52.01 H new ATOM 0 HB2 LYS A 55 28.197 -2.998 1.158 1.00 61.43 H new ATOM 0 HB3 LYS A 55 27.382 -2.156 2.461 1.00 61.43 H new ATOM 0 HG2 LYS A 55 29.180 -0.878 0.347 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.433 -0.753 0.425 1.00 35.11 H new ATOM 0 HD2 LYS A 55 27.938 0.166 2.895 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.510 0.525 2.208 1.00 31.33 H new ATOM 0 HE2 LYS A 55 26.797 1.568 1.297 1.00 31.13 H new ATOM 0 HE3 LYS A 55 28.162 2.499 1.881 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.233 2.727 -0.418 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.404 1.536 -0.111 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 27.877 1.092 -0.705 1.00 40.52 H new ATOM 832 N GLY A 56 28.668 -2.266 4.971 1.00 14.34 N ATOM 833 CA GLY A 56 28.352 -2.808 6.281 1.00 1.53 C ATOM 834 C GLY A 56 27.023 -2.254 6.797 1.00 71.44 C ATOM 835 O GLY A 56 26.712 -2.378 7.981 1.00 74.10 O ATOM 0 H GLY A 56 28.410 -1.288 4.840 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.300 -3.895 6.226 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.149 -2.562 6.982 1.00 1.53 H new ATOM 839 N ILE A 57 26.274 -1.653 5.884 1.00 74.01 N ATOM 840 CA ILE A 57 24.986 -1.079 6.232 1.00 43.32 C ATOM 841 C ILE A 57 23.887 -2.114 5.984 1.00 62.24 C ATOM 842 O ILE A 57 24.114 -3.115 5.306 1.00 3.42 O ATOM 843 CB ILE A 57 24.767 0.239 5.486 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.574 -0.004 3.987 1.00 32.54 C ATOM 845 CG2 ILE A 57 25.907 1.222 5.766 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.111 -0.316 3.667 1.00 32.33 C ATOM 0 H ILE A 57 26.535 -1.551 4.903 1.00 74.01 H new ATOM 0 HA ILE A 57 24.956 -0.828 7.292 1.00 43.32 H new ATOM 0 HB ILE A 57 23.849 0.695 5.858 1.00 40.53 H new ATOM 0 HG12 ILE A 57 24.893 0.876 3.428 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.205 -0.832 3.665 1.00 32.54 H new ATOM 0 HG21 ILE A 57 25.728 2.151 5.224 1.00 3.00 H new ATOM 0 HG22 ILE A 57 25.955 1.429 6.835 1.00 3.00 H new ATOM 0 HG23 ILE A 57 26.851 0.787 5.438 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.001 -0.485 2.596 1.00 32.33 H new ATOM 0 HD12 ILE A 57 22.803 -1.210 4.209 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.485 0.524 3.968 1.00 32.33 H new ATOM 858 N ILE A 58 22.719 -1.838 6.547 1.00 34.44 N ATOM 859 CA ILE A 58 21.586 -2.733 6.395 1.00 71.13 C ATOM 860 C ILE A 58 20.772 -2.316 5.167 1.00 61.15 C ATOM 861 O ILE A 58 20.652 -1.128 4.873 1.00 1.32 O ATOM 862 CB ILE A 58 20.767 -2.784 7.687 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.505 -3.567 8.775 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.367 -3.345 7.428 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.187 -5.061 8.686 1.00 42.52 C ATOM 0 H ILE A 58 22.534 -1.007 7.109 1.00 34.44 H new ATOM 0 HA ILE A 58 21.927 -3.753 6.220 1.00 71.13 H new ATOM 0 HB ILE A 58 20.643 -1.764 8.052 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.579 -3.413 8.673 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.220 -3.189 9.757 1.00 53.34 H new ATOM 0 HG21 ILE A 58 18.807 -3.370 8.363 1.00 13.54 H new ATOM 0 HG22 ILE A 58 18.848 -2.710 6.710 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.448 -4.355 7.026 1.00 13.54 H new ATOM 0 HD11 ILE A 58 21.724 -5.595 9.470 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.115 -5.213 8.812 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.495 -5.441 7.712 1.00 42.52 H new ATOM 877 N TRP A 59 20.236 -3.317 4.486 1.00 12.43 N ATOM 878 CA TRP A 59 19.438 -3.069 3.297 1.00 31.13 C ATOM 879 C TRP A 59 18.037 -2.647 3.747 1.00 62.44 C ATOM 880 O TRP A 59 17.326 -3.424 4.381 1.00 4.32 O ATOM 881 CB TRP A 59 19.427 -4.294 2.378 1.00 3.14 C ATOM 882 CG TRP A 59 20.585 -4.332 1.379 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.438 -5.338 1.144 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.984 -3.272 0.485 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.354 -5.005 0.166 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.069 -3.709 -0.247 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.446 -1.987 0.300 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.709 -2.924 -1.213 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.097 -1.214 -0.670 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.190 -1.639 -1.414 1.00 62.15 C ATOM 0 H TRP A 59 20.338 -4.301 4.734 1.00 12.43 H new ATOM 0 HA TRP A 59 19.871 -2.264 2.704 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.459 -5.195 2.990 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.486 -4.315 1.829 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.412 -6.289 1.655 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.102 -5.601 -0.188 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.598 -1.624 0.861 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.557 -3.289 -1.773 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.723 -0.217 -0.852 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.638 -0.981 -2.144 1.00 62.15 H new ATOM 901 N GLY A 60 17.685 -1.418 3.400 1.00 60.12 N ATOM 902 CA GLY A 60 16.383 -0.883 3.761 1.00 61.54 C ATOM 903 C GLY A 60 15.706 -0.230 2.553 1.00 2.44 C ATOM 904 O GLY A 60 16.231 -0.275 1.443 1.00 64.10 O ATOM 0 H GLY A 60 18.278 -0.777 2.873 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.752 -1.683 4.148 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.495 -0.150 4.560 1.00 61.54 H new ATOM 908 N GLU A 61 14.548 0.361 2.813 1.00 1.02 N ATOM 909 CA GLU A 61 13.793 1.021 1.762 1.00 43.51 C ATOM 910 C GLU A 61 14.478 2.329 1.359 1.00 54.24 C ATOM 911 O GLU A 61 14.322 2.793 0.231 1.00 64.13 O ATOM 912 CB GLU A 61 12.349 1.272 2.200 1.00 4.31 C ATOM 913 CG GLU A 61 11.692 -0.021 2.689 1.00 42.02 C ATOM 914 CD GLU A 61 10.286 0.248 3.229 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.436 0.784 2.502 1.00 42.11 O ATOM 916 OE2 GLU A 61 10.090 -0.120 4.449 1.00 53.22 O1- ATOM 0 H GLU A 61 14.115 0.396 3.736 1.00 1.02 H new ATOM 0 HA GLU A 61 13.766 0.364 0.893 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.331 2.017 2.996 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.778 1.682 1.367 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.640 -0.739 1.870 1.00 42.02 H new ATOM 0 HG3 GLU A 61 12.305 -0.472 3.469 1.00 42.02 H new ATOM 924 N ASP A 62 15.222 2.885 2.303 1.00 41.03 N ATOM 925 CA ASP A 62 15.932 4.131 2.060 1.00 11.04 C ATOM 926 C ASP A 62 17.106 3.866 1.116 1.00 64.11 C ATOM 927 O ASP A 62 17.095 4.308 -0.032 1.00 4.51 O ATOM 928 CB ASP A 62 16.491 4.708 3.361 1.00 52.14 C ATOM 929 CG ASP A 62 17.410 5.919 3.189 1.00 62.42 C ATOM 930 OD1 ASP A 62 18.641 5.804 3.278 1.00 35.04 O ATOM 931 OD2 ASP A 62 16.806 7.033 2.950 1.00 62.51 O1- ATOM 0 H ASP A 62 15.349 2.497 3.238 1.00 41.03 H new ATOM 0 HA ASP A 62 15.230 4.841 1.624 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.657 4.992 4.003 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.041 3.924 3.882 1.00 52.14 H new ATOM 937 N THR A 63 18.092 3.150 1.636 1.00 73.22 N ATOM 938 CA THR A 63 19.273 2.823 0.854 1.00 3.24 C ATOM 939 C THR A 63 18.870 2.346 -0.544 1.00 11.02 C ATOM 940 O THR A 63 19.480 2.741 -1.536 1.00 1.20 O ATOM 941 CB THR A 63 20.087 1.791 1.637 1.00 40.22 C ATOM 942 OG1 THR A 63 19.225 0.658 1.718 1.00 4.21 O ATOM 943 CG2 THR A 63 20.304 2.200 3.095 1.00 44.33 C ATOM 0 H THR A 63 18.098 2.787 2.589 1.00 73.22 H new ATOM 0 HA THR A 63 19.900 3.701 0.696 1.00 3.24 H new ATOM 0 HB THR A 63 21.053 1.648 1.153 1.00 40.22 H new ATOM 0 HG1 THR A 63 19.459 0.018 1.014 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.887 1.433 3.605 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.841 3.148 3.131 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.339 2.311 3.589 1.00 44.33 H new ATOM 951 N LEU A 64 17.848 1.505 -0.577 1.00 10.45 N ATOM 952 CA LEU A 64 17.357 0.971 -1.836 1.00 43.40 C ATOM 953 C LEU A 64 16.783 2.112 -2.679 1.00 72.41 C ATOM 954 O LEU A 64 17.194 2.310 -3.822 1.00 42.34 O ATOM 955 CB LEU A 64 16.366 -0.167 -1.586 1.00 75.52 C ATOM 956 CG LEU A 64 16.970 -1.484 -1.092 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.899 -2.373 -0.456 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.714 -2.202 -2.219 1.00 20.25 C ATOM 0 H LEU A 64 17.345 1.179 0.249 1.00 10.45 H new ATOM 0 HA LEU A 64 18.174 0.531 -2.407 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.632 0.171 -0.854 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.826 -0.362 -2.512 1.00 75.52 H new ATOM 0 HG LEU A 64 17.702 -1.255 -0.317 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.354 -3.302 -0.113 1.00 31.02 H new ATOM 0 HD12 LEU A 64 15.452 -1.854 0.392 1.00 31.02 H new ATOM 0 HD13 LEU A 64 15.127 -2.597 -1.193 1.00 31.02 H new ATOM 0 HD21 LEU A 64 18.134 -3.135 -1.842 1.00 20.25 H new ATOM 0 HD22 LEU A 64 17.021 -2.419 -3.032 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.518 -1.565 -2.587 1.00 20.25 H new ATOM 970 N MET A 65 15.844 2.831 -2.083 1.00 14.04 N ATOM 971 CA MET A 65 15.210 3.946 -2.766 1.00 64.51 C ATOM 972 C MET A 65 16.252 4.842 -3.438 1.00 44.11 C ATOM 973 O MET A 65 15.963 5.491 -4.443 1.00 35.15 O ATOM 974 CB MET A 65 14.403 4.769 -1.759 1.00 75.32 C ATOM 975 CG MET A 65 13.970 6.106 -2.365 1.00 12.54 C ATOM 976 SD MET A 65 13.207 5.837 -3.955 1.00 72.52 S ATOM 977 CE MET A 65 11.644 5.147 -3.436 1.00 71.41 C ATOM 0 H MET A 65 15.507 2.664 -1.135 1.00 14.04 H new ATOM 0 HA MET A 65 14.550 3.548 -3.536 1.00 64.51 H new ATOM 0 HB2 MET A 65 13.524 4.206 -1.445 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.002 4.947 -0.866 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.270 6.608 -1.697 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.834 6.762 -2.473 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.556 4.126 -3.807 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.592 5.143 -2.347 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.829 5.750 -3.836 1.00 71.41 H new ATOM 987 N GLU A 66 17.442 4.848 -2.858 1.00 20.23 N ATOM 988 CA GLU A 66 18.529 5.654 -3.389 1.00 4.35 C ATOM 989 C GLU A 66 19.416 4.810 -4.307 1.00 12.41 C ATOM 990 O GLU A 66 20.101 5.344 -5.178 1.00 31.41 O ATOM 991 CB GLU A 66 19.350 6.282 -2.260 1.00 2.12 C ATOM 992 CG GLU A 66 20.626 6.926 -2.803 1.00 74.21 C ATOM 993 CD GLU A 66 21.333 7.741 -1.717 1.00 11.01 C ATOM 994 OE1 GLU A 66 21.153 8.966 -1.644 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.093 7.057 -0.930 1.00 61.41 O1- ATOM 0 H GLU A 66 17.678 4.308 -2.026 1.00 20.23 H new ATOM 0 HA GLU A 66 18.099 6.466 -3.976 1.00 4.35 H new ATOM 0 HB2 GLU A 66 18.751 7.032 -1.744 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.608 5.519 -1.525 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.297 6.153 -3.178 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.381 7.572 -3.646 1.00 74.21 H new ATOM 1003 N TYR A 67 19.375 3.505 -4.081 1.00 2.54 N ATOM 1004 CA TYR A 67 20.166 2.582 -4.876 1.00 70.14 C ATOM 1005 C TYR A 67 19.579 2.427 -6.281 1.00 15.44 C ATOM 1006 O TYR A 67 20.269 2.654 -7.274 1.00 20.34 O ATOM 1007 CB TYR A 67 20.094 1.235 -4.155 1.00 71.01 C ATOM 1008 CG TYR A 67 21.022 0.167 -4.737 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.346 0.465 -4.985 1.00 73.53 C ATOM 1010 CD2 TYR A 67 20.535 -1.095 -5.013 1.00 25.24 C ATOM 1011 CE1 TYR A 67 23.221 -0.540 -5.533 1.00 50.13 C ATOM 1012 CE2 TYR A 67 21.409 -2.100 -5.561 1.00 12.44 C ATOM 1013 CZ TYR A 67 22.708 -1.772 -5.793 1.00 70.00 C ATOM 1014 OH TYR A 67 23.533 -2.722 -6.311 1.00 1.15 O ATOM 0 H TYR A 67 18.806 3.065 -3.358 1.00 2.54 H new ATOM 0 HA TYR A 67 21.188 2.945 -4.982 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.342 1.383 -3.104 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.068 0.869 -4.192 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.727 1.452 -4.768 1.00 73.53 H new ATOM 0 HD2 TYR A 67 19.499 -1.329 -4.818 1.00 25.24 H new ATOM 0 HE1 TYR A 67 24.259 -0.320 -5.732 1.00 50.13 H new ATOM 0 HE2 TYR A 67 21.041 -3.091 -5.782 1.00 12.44 H new ATOM 0 HH TYR A 67 23.031 -3.553 -6.445 1.00 1.15 H new ATOM 1024 N LEU A 68 18.312 2.043 -6.319 1.00 3.24 N ATOM 1025 CA LEU A 68 17.626 1.856 -7.586 1.00 35.25 C ATOM 1026 C LEU A 68 17.903 3.055 -8.494 1.00 53.11 C ATOM 1027 O LEU A 68 18.117 2.893 -9.694 1.00 15.43 O ATOM 1028 CB LEU A 68 16.136 1.592 -7.353 1.00 63.11 C ATOM 1029 CG LEU A 68 15.731 0.125 -7.197 1.00 65.23 C ATOM 1030 CD1 LEU A 68 16.070 -0.676 -8.457 1.00 12.31 C ATOM 1031 CD2 LEU A 68 16.361 -0.486 -5.943 1.00 71.44 C ATOM 0 H LEU A 68 17.743 1.856 -5.494 1.00 3.24 H new ATOM 0 HA LEU A 68 18.007 0.973 -8.099 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.828 2.131 -6.457 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.577 2.016 -8.188 1.00 63.11 H new ATOM 0 HG LEU A 68 14.649 0.081 -7.070 1.00 65.23 H new ATOM 0 HD11 LEU A 68 15.772 -1.715 -8.319 1.00 12.31 H new ATOM 0 HD12 LEU A 68 15.537 -0.256 -9.310 1.00 12.31 H new ATOM 0 HD13 LEU A 68 17.143 -0.628 -8.641 1.00 12.31 H new ATOM 0 HD21 LEU A 68 16.058 -1.529 -5.855 1.00 71.44 H new ATOM 0 HD22 LEU A 68 17.447 -0.429 -6.017 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.028 0.064 -5.063 1.00 71.44 H new ATOM 1043 N GLU A 69 17.890 4.232 -7.886 1.00 15.25 N ATOM 1044 CA GLU A 69 18.139 5.459 -8.626 1.00 72.12 C ATOM 1045 C GLU A 69 19.459 5.359 -9.392 1.00 22.31 C ATOM 1046 O GLU A 69 19.524 5.704 -10.571 1.00 70.33 O ATOM 1047 CB GLU A 69 18.137 6.672 -7.692 1.00 51.12 C ATOM 1048 CG GLU A 69 18.329 7.969 -8.479 1.00 33.34 C ATOM 1049 CD GLU A 69 17.418 8.005 -9.708 1.00 54.43 C ATOM 1050 OE1 GLU A 69 16.235 7.646 -9.614 1.00 2.44 O ATOM 1051 OE2 GLU A 69 17.979 8.427 -10.790 1.00 3.24 O1- ATOM 0 H GLU A 69 17.711 4.363 -6.890 1.00 15.25 H new ATOM 0 HA GLU A 69 17.333 5.595 -9.347 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.196 6.711 -7.143 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.933 6.569 -6.954 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.114 8.823 -7.837 1.00 33.34 H new ATOM 0 HG3 GLU A 69 19.370 8.059 -8.791 1.00 33.34 H new ATOM 1059 N ASN A 70 20.479 4.885 -8.691 1.00 1.34 N ATOM 1060 CA ASN A 70 21.794 4.735 -9.292 1.00 62.35 C ATOM 1061 C ASN A 70 22.625 3.762 -8.452 1.00 55.43 C ATOM 1062 O ASN A 70 23.465 4.184 -7.658 1.00 45.53 O ATOM 1063 CB ASN A 70 22.534 6.073 -9.336 1.00 44.13 C ATOM 1064 CG ASN A 70 22.003 6.956 -10.468 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.309 7.936 -10.252 1.00 35.54 O ATOM 1066 ND2 ASN A 70 22.366 6.555 -11.683 1.00 0.54 N ATOM 0 H ASN A 70 20.422 4.600 -7.713 1.00 1.34 H new ATOM 0 HA ASN A 70 21.661 4.363 -10.308 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.418 6.589 -8.383 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.601 5.898 -9.476 1.00 44.13 H new ATOM 0 HD21 ASN A 70 22.062 7.077 -12.505 1.00 0.54 H new ATOM 0 HD22 ASN A 70 22.949 5.725 -11.793 1.00 0.54 H new ATOM 1073 N PRO A 71 22.354 2.446 -8.661 1.00 54.04 N ATOM 1074 CA PRO A 71 23.068 1.411 -7.933 1.00 32.44 C ATOM 1075 C PRO A 71 24.489 1.240 -8.473 1.00 41.31 C ATOM 1076 O PRO A 71 25.248 0.405 -7.983 1.00 74.34 O ATOM 1077 CB PRO A 71 22.218 0.161 -8.093 1.00 13.22 C ATOM 1078 CG PRO A 71 21.309 0.424 -9.283 1.00 74.42 C ATOM 1079 CD PRO A 71 21.366 1.911 -9.593 1.00 62.30 C ATOM 0 HA PRO A 71 23.202 1.655 -6.879 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.842 -0.716 -8.265 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.636 -0.033 -7.192 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.632 -0.159 -10.146 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.287 0.120 -9.057 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.660 2.089 -10.627 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.393 2.382 -9.453 1.00 62.30 H new ATOM 1087 N LYS A 72 24.807 2.047 -9.475 1.00 40.44 N ATOM 1088 CA LYS A 72 26.125 1.995 -10.087 1.00 22.32 C ATOM 1089 C LYS A 72 27.084 2.887 -9.297 1.00 63.53 C ATOM 1090 O LYS A 72 28.300 2.723 -9.379 1.00 45.42 O ATOM 1091 CB LYS A 72 26.039 2.350 -11.573 1.00 54.30 C ATOM 1092 CG LYS A 72 27.281 1.866 -12.325 1.00 41.01 C ATOM 1093 CD LYS A 72 27.057 1.908 -13.837 1.00 72.43 C ATOM 1094 CE LYS A 72 26.358 0.637 -14.324 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.352 -0.410 -14.648 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.176 2.740 -9.878 1.00 40.44 H new ATOM 0 HA LYS A 72 26.525 0.982 -10.047 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.147 1.898 -12.008 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.938 3.429 -11.688 1.00 54.30 H new ATOM 0 HG2 LYS A 72 28.135 2.490 -12.063 1.00 41.01 H new ATOM 0 HG3 LYS A 72 27.523 0.849 -12.018 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.455 2.780 -14.095 1.00 72.43 H new ATOM 0 HD3 LYS A 72 28.014 2.019 -14.347 1.00 72.43 H new ATOM 0 HE2 LYS A 72 25.675 0.273 -13.556 1.00 51.53 H new ATOM 0 HE3 LYS A 72 25.756 0.861 -15.205 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 26.860 -1.265 -14.977 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 27.987 -0.066 -15.397 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 27.908 -0.635 -13.799 1.00 51.14 H new ATOM 1108 N LYS A 73 26.501 3.810 -8.548 1.00 4.23 N ATOM 1109 CA LYS A 73 27.290 4.728 -7.743 1.00 34.14 C ATOM 1110 C LYS A 73 27.403 4.182 -6.318 1.00 2.10 C ATOM 1111 O LYS A 73 28.476 4.219 -5.718 1.00 35.44 O ATOM 1112 CB LYS A 73 26.706 6.142 -7.816 1.00 1.20 C ATOM 1113 CG LYS A 73 25.669 6.364 -6.713 1.00 32.13 C ATOM 1114 CD LYS A 73 24.925 7.684 -6.920 1.00 55.50 C ATOM 1115 CE LYS A 73 24.053 8.017 -5.707 1.00 5.11 C ATOM 1116 NZ LYS A 73 24.892 8.453 -4.569 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.492 3.943 -8.481 1.00 4.23 H new ATOM 0 HA LYS A 73 28.304 4.806 -8.136 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.507 6.875 -7.720 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.245 6.299 -8.791 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.957 5.538 -6.706 1.00 32.13 H new ATOM 0 HG3 LYS A 73 26.162 6.368 -5.741 1.00 32.13 H new ATOM 0 HD2 LYS A 73 25.642 8.487 -7.089 1.00 55.50 H new ATOM 0 HD3 LYS A 73 24.303 7.619 -7.813 1.00 55.50 H new ATOM 0 HE2 LYS A 73 23.344 8.804 -5.966 1.00 5.11 H new ATOM 0 HE3 LYS A 73 23.468 7.143 -5.421 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 24.291 8.896 -3.845 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 25.377 7.629 -4.160 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 25.598 9.141 -4.901 1.00 51.34 H new ATOM 1129 N TYR A 74 26.280 3.688 -5.818 1.00 21.02 N ATOM 1130 CA TYR A 74 26.239 3.134 -4.475 1.00 11.41 C ATOM 1131 C TYR A 74 27.376 2.131 -4.259 1.00 42.23 C ATOM 1132 O TYR A 74 28.019 2.133 -3.211 1.00 73.43 O ATOM 1133 CB TYR A 74 24.901 2.402 -4.360 1.00 34.24 C ATOM 1134 CG TYR A 74 24.452 2.147 -2.920 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.266 1.441 -2.058 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.232 2.622 -2.483 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.844 1.201 -0.702 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.810 2.383 -1.128 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.636 1.684 -0.304 1.00 60.53 C ATOM 1140 OH TYR A 74 23.238 1.457 0.976 1.00 63.13 O ATOM 0 H TYR A 74 25.392 3.660 -6.318 1.00 21.02 H new ATOM 0 HA TYR A 74 26.348 3.924 -3.732 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.135 2.985 -4.871 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.975 1.447 -4.881 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.220 1.068 -2.400 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.594 3.173 -3.158 1.00 0.20 H new ATOM 0 HE1 TYR A 74 25.472 0.650 -0.017 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.858 2.751 -0.773 1.00 65.02 H new ATOM 0 HH TYR A 74 22.991 2.307 1.397 1.00 63.13 H new ATOM 1150 N ILE A 75 27.586 1.300 -5.270 1.00 35.22 N ATOM 1151 CA ILE A 75 28.633 0.295 -5.204 1.00 2.31 C ATOM 1152 C ILE A 75 29.373 0.248 -6.543 1.00 30.40 C ATOM 1153 O ILE A 75 28.997 -0.509 -7.437 1.00 3.45 O ATOM 1154 CB ILE A 75 28.055 -1.054 -4.774 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.016 -0.877 -3.664 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.167 -2.024 -4.367 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.358 -2.211 -3.309 1.00 1.01 C ATOM 0 H ILE A 75 27.050 1.302 -6.138 1.00 35.22 H new ATOM 0 HA ILE A 75 29.366 0.559 -4.442 1.00 2.31 H new ATOM 0 HB ILE A 75 27.542 -1.493 -5.630 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.493 -0.456 -2.779 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.254 -0.166 -3.984 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.728 -2.975 -4.066 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.837 -2.185 -5.212 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.729 -1.604 -3.533 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.624 -2.056 -2.518 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.861 -2.617 -4.190 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.119 -2.912 -2.966 1.00 1.01 H new ATOM 1169 N PRO A 76 30.439 1.087 -6.641 1.00 75.43 N ATOM 1170 CA PRO A 76 31.235 1.149 -7.855 1.00 60.41 C ATOM 1171 C PRO A 76 32.144 -0.076 -7.977 1.00 71.21 C ATOM 1172 O PRO A 76 33.100 -0.221 -7.218 1.00 23.43 O ATOM 1173 CB PRO A 76 32.006 2.454 -7.754 1.00 52.32 C ATOM 1174 CG PRO A 76 31.970 2.847 -6.286 1.00 32.44 C ATOM 1175 CD PRO A 76 30.912 1.997 -5.602 1.00 2.31 C ATOM 0 HA PRO A 76 30.626 1.132 -8.759 1.00 60.41 H new ATOM 0 HB2 PRO A 76 33.032 2.329 -8.100 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.552 3.225 -8.376 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.945 2.688 -5.824 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.736 3.906 -6.180 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.329 1.450 -4.757 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.100 2.612 -5.214 1.00 2.31 H new ATOM 1183 N GLY A 77 31.813 -0.926 -8.937 1.00 41.14 N ATOM 1184 CA GLY A 77 32.588 -2.133 -9.168 1.00 61.20 C ATOM 1185 C GLY A 77 31.744 -3.384 -8.915 1.00 2.42 C ATOM 1186 O GLY A 77 32.265 -4.499 -8.915 1.00 31.14 O ATOM 0 H GLY A 77 31.018 -0.803 -9.564 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.958 -2.141 -10.193 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.460 -2.140 -8.514 1.00 61.20 H new ATOM 1190 N THR A 78 30.457 -3.156 -8.702 1.00 45.32 N ATOM 1191 CA THR A 78 29.535 -4.252 -8.448 1.00 52.32 C ATOM 1192 C THR A 78 29.215 -4.992 -9.747 1.00 15.00 C ATOM 1193 O THR A 78 29.481 -4.486 -10.836 1.00 74.51 O ATOM 1194 CB THR A 78 28.297 -3.676 -7.754 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.498 -4.821 -7.467 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.430 -2.844 -8.702 1.00 71.52 C ATOM 0 H THR A 78 30.030 -2.230 -8.700 1.00 45.32 H new ATOM 0 HA THR A 78 29.978 -4.998 -7.788 1.00 52.32 H new ATOM 0 HB THR A 78 28.606 -3.060 -6.910 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.612 -4.534 -7.163 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.566 -2.459 -8.161 1.00 71.52 H new ATOM 0 HG22 THR A 78 28.014 -2.011 -9.093 1.00 71.52 H new ATOM 0 HG23 THR A 78 27.092 -3.469 -9.528 1.00 71.52 H new ATOM 1204 N LYS A 79 28.649 -6.180 -9.589 1.00 35.35 N ATOM 1205 CA LYS A 79 28.289 -6.996 -10.737 1.00 23.13 C ATOM 1206 C LYS A 79 26.878 -6.628 -11.196 1.00 32.14 C ATOM 1207 O LYS A 79 26.474 -6.971 -12.307 1.00 61.34 O ATOM 1208 CB LYS A 79 28.464 -8.481 -10.413 1.00 4.04 C ATOM 1209 CG LYS A 79 29.753 -8.724 -9.626 1.00 33.42 C ATOM 1210 CD LYS A 79 30.207 -10.180 -9.751 1.00 24.30 C ATOM 1211 CE LYS A 79 29.379 -11.092 -8.843 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.686 -12.514 -9.117 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.431 -6.597 -8.684 1.00 35.35 H new ATOM 0 HA LYS A 79 28.958 -6.795 -11.574 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.610 -8.834 -9.835 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.484 -9.058 -11.337 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.537 -8.062 -9.993 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.594 -8.478 -8.576 1.00 33.42 H new ATOM 0 HD2 LYS A 79 30.111 -10.507 -10.786 1.00 24.30 H new ATOM 0 HD3 LYS A 79 31.262 -10.260 -9.488 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.590 -10.863 -7.798 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.317 -10.906 -9.002 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 28.856 -13.098 -8.889 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 29.926 -12.630 -10.122 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 30.492 -12.814 -8.532 1.00 45.34 H new ATOM 1225 N MET A 80 26.166 -5.935 -10.320 1.00 75.05 N ATOM 1226 CA MET A 80 24.808 -5.516 -10.622 1.00 44.10 C ATOM 1227 C MET A 80 24.707 -4.969 -12.048 1.00 15.21 C ATOM 1228 O MET A 80 25.604 -4.267 -12.512 1.00 11.50 O ATOM 1229 CB MET A 80 24.373 -4.436 -9.629 1.00 41.23 C ATOM 1230 CG MET A 80 22.954 -3.953 -9.933 1.00 12.33 C ATOM 1231 SD MET A 80 21.767 -4.944 -9.042 1.00 55.50 S ATOM 1232 CE MET A 80 20.524 -3.709 -8.700 1.00 4.13 C ATOM 0 H MET A 80 26.504 -5.653 -9.400 1.00 75.05 H new ATOM 0 HA MET A 80 24.154 -6.384 -10.538 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.417 -4.831 -8.614 1.00 41.23 H new ATOM 0 HB3 MET A 80 25.065 -3.595 -9.674 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.850 -2.905 -9.651 1.00 12.33 H new ATOM 0 HG3 MET A 80 22.761 -4.016 -11.004 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.139 -3.850 -7.690 1.00 4.13 H new ATOM 0 HE2 MET A 80 20.965 -2.716 -8.785 1.00 4.13 H new ATOM 0 HE3 MET A 80 19.708 -3.806 -9.416 1.00 4.13 H new ATOM 1242 N ILE A 81 23.608 -5.313 -12.703 1.00 73.13 N ATOM 1243 CA ILE A 81 23.377 -4.865 -14.066 1.00 63.41 C ATOM 1244 C ILE A 81 22.027 -4.150 -14.143 1.00 63.43 C ATOM 1245 O ILE A 81 20.979 -4.789 -14.079 1.00 21.32 O ATOM 1246 CB ILE A 81 23.511 -6.034 -15.043 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.760 -6.863 -14.739 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.488 -5.543 -16.492 1.00 43.10 C ATOM 1249 CD1 ILE A 81 26.032 -6.083 -15.075 1.00 64.30 C ATOM 0 H ILE A 81 22.867 -5.897 -12.315 1.00 73.13 H new ATOM 0 HA ILE A 81 24.137 -4.142 -14.363 1.00 63.41 H new ATOM 0 HB ILE A 81 22.650 -6.689 -14.911 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.768 -7.142 -13.685 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.735 -7.789 -15.313 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.585 -6.394 -17.166 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.546 -5.031 -16.688 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.317 -4.854 -16.656 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.905 -6.696 -14.849 1.00 64.30 H new ATOM 0 HD12 ILE A 81 26.033 -5.827 -16.134 1.00 64.30 H new ATOM 0 HD13 ILE A 81 26.066 -5.170 -14.481 1.00 64.30 H new ATOM 1261 N PHE A 82 22.097 -2.833 -14.278 1.00 51.30 N ATOM 1262 CA PHE A 82 20.893 -2.025 -14.364 1.00 2.04 C ATOM 1263 C PHE A 82 21.229 -0.581 -14.740 1.00 11.53 C ATOM 1264 O PHE A 82 22.400 -0.221 -14.854 1.00 33.35 O ATOM 1265 CB PHE A 82 20.243 -2.042 -12.979 1.00 11.41 C ATOM 1266 CG PHE A 82 18.786 -1.577 -12.970 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.878 -2.169 -13.791 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.397 -0.571 -12.141 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.525 -1.738 -13.784 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.045 -0.140 -12.133 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.137 -0.732 -12.955 1.00 52.30 C ATOM 0 H PHE A 82 22.969 -2.306 -14.330 1.00 51.30 H new ATOM 0 HA PHE A 82 20.229 -2.426 -15.129 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.293 -3.054 -12.578 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.821 -1.405 -12.310 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.186 -2.968 -14.449 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.117 -0.100 -11.489 1.00 24.33 H new ATOM 0 HE1 PHE A 82 15.805 -2.209 -14.437 1.00 62.32 H new ATOM 0 HE2 PHE A 82 16.737 0.658 -11.474 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.108 -0.403 -12.949 1.00 52.30 H new ATOM 1281 N VAL A 83 20.180 0.210 -14.921 1.00 11.14 N ATOM 1282 CA VAL A 83 20.349 1.607 -15.280 1.00 50.45 C ATOM 1283 C VAL A 83 19.798 2.488 -14.158 1.00 64.23 C ATOM 1284 O VAL A 83 20.496 3.367 -13.654 1.00 22.41 O ATOM 1285 CB VAL A 83 19.691 1.881 -16.634 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.275 0.978 -17.721 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.171 1.723 -16.547 1.00 22.20 C ATOM 0 H VAL A 83 19.210 -0.091 -14.825 1.00 11.14 H new ATOM 0 HA VAL A 83 21.406 1.848 -15.392 1.00 50.45 H new ATOM 0 HB VAL A 83 19.905 2.914 -16.907 1.00 72.20 H new ATOM 0 HG11 VAL A 83 19.790 1.194 -18.673 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.346 1.161 -17.810 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.107 -0.066 -17.456 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.728 1.923 -17.523 1.00 22.20 H new ATOM 0 HG22 VAL A 83 17.928 0.706 -16.240 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.773 2.427 -15.816 1.00 22.20 H new ATOM 1297 N GLY A 84 18.550 2.223 -13.799 1.00 42.12 N ATOM 1298 CA GLY A 84 17.898 2.982 -12.746 1.00 22.32 C ATOM 1299 C GLY A 84 16.466 3.349 -13.141 1.00 4.23 C ATOM 1300 O GLY A 84 16.146 3.427 -14.326 1.00 44.21 O ATOM 0 H GLY A 84 17.974 1.494 -14.219 1.00 42.12 H new ATOM 0 HA2 GLY A 84 17.887 2.398 -11.826 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.466 3.889 -12.541 1.00 22.32 H new ATOM 1304 N ILE A 85 15.643 3.565 -12.125 1.00 0.21 N ATOM 1305 CA ILE A 85 14.252 3.923 -12.352 1.00 22.34 C ATOM 1306 C ILE A 85 14.092 5.439 -12.224 1.00 73.43 C ATOM 1307 O ILE A 85 14.847 6.088 -11.500 1.00 55.21 O ATOM 1308 CB ILE A 85 13.336 3.127 -11.420 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.486 1.623 -11.658 1.00 31.10 C ATOM 1310 CG2 ILE A 85 11.883 3.588 -11.556 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.221 0.837 -10.372 1.00 71.13 C ATOM 0 H ILE A 85 15.912 3.499 -11.143 1.00 0.21 H new ATOM 0 HA ILE A 85 13.950 3.655 -13.364 1.00 22.34 H new ATOM 0 HB ILE A 85 13.641 3.322 -10.392 1.00 13.11 H new ATOM 0 HG12 ILE A 85 12.791 1.303 -12.434 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.491 1.407 -12.021 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.252 3.007 -10.883 1.00 13.43 H new ATOM 0 HG22 ILE A 85 11.811 4.645 -11.299 1.00 13.43 H new ATOM 0 HG23 ILE A 85 11.549 3.441 -12.583 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.334 -0.229 -10.568 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.933 1.143 -9.605 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.207 1.037 -10.026 1.00 71.13 H new ATOM 1323 N LYS A 86 13.107 5.961 -12.939 1.00 70.13 N ATOM 1324 CA LYS A 86 12.839 7.389 -12.915 1.00 52.41 C ATOM 1325 C LYS A 86 11.796 7.689 -11.836 1.00 72.24 C ATOM 1326 O LYS A 86 12.106 8.320 -10.826 1.00 12.14 O ATOM 1327 CB LYS A 86 12.443 7.884 -14.307 1.00 14.22 C ATOM 1328 CG LYS A 86 12.855 9.344 -14.508 1.00 24.43 C ATOM 1329 CD LYS A 86 14.357 9.457 -14.778 1.00 71.23 C ATOM 1330 CE LYS A 86 14.840 10.897 -14.591 1.00 51.35 C ATOM 1331 NZ LYS A 86 13.859 11.850 -15.157 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.484 5.420 -13.539 1.00 70.13 H new ATOM 0 HA LYS A 86 13.741 7.941 -12.651 1.00 52.41 H new ATOM 0 HB2 LYS A 86 12.916 7.261 -15.066 1.00 14.22 H new ATOM 0 HB3 LYS A 86 11.366 7.785 -14.439 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.299 9.771 -15.342 1.00 24.43 H new ATOM 0 HG3 LYS A 86 12.596 9.924 -13.622 1.00 24.43 H new ATOM 0 HD2 LYS A 86 14.902 8.796 -14.104 1.00 71.23 H new ATOM 0 HD3 LYS A 86 14.574 9.126 -15.794 1.00 71.23 H new ATOM 0 HE2 LYS A 86 14.986 11.103 -13.531 1.00 51.35 H new ATOM 0 HE3 LYS A 86 15.806 11.029 -15.077 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 14.320 12.768 -15.318 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 13.497 11.481 -16.060 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 13.069 11.971 -14.491 1.00 32.04 H new ATOM 1344 N LYS A 87 10.582 7.224 -12.086 1.00 51.43 N ATOM 1345 CA LYS A 87 9.492 7.435 -11.149 1.00 71.11 C ATOM 1346 C LYS A 87 9.976 7.122 -9.731 1.00 30.25 C ATOM 1347 O LYS A 87 10.857 6.285 -9.543 1.00 52.34 O ATOM 1348 CB LYS A 87 8.260 6.629 -11.569 1.00 51.42 C ATOM 1349 CG LYS A 87 7.419 7.405 -12.585 1.00 42.12 C ATOM 1350 CD LYS A 87 6.271 6.545 -13.117 1.00 3.45 C ATOM 1351 CE LYS A 87 5.130 6.463 -12.100 1.00 15.15 C ATOM 1352 NZ LYS A 87 3.847 6.187 -12.782 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.328 6.701 -12.924 1.00 51.43 H new ATOM 0 HA LYS A 87 9.180 8.479 -11.157 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.573 5.678 -12.001 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.656 6.398 -10.692 1.00 51.42 H new ATOM 0 HG2 LYS A 87 7.018 8.305 -12.119 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.050 7.729 -13.413 1.00 42.12 H new ATOM 0 HD2 LYS A 87 5.900 6.965 -14.052 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.636 5.543 -13.341 1.00 3.45 H new ATOM 0 HE2 LYS A 87 5.339 5.678 -11.373 1.00 15.15 H new ATOM 0 HE3 LYS A 87 5.060 7.399 -11.546 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 3.084 6.135 -12.078 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 3.642 6.950 -13.458 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 3.912 5.282 -13.290 1.00 2.13 H new ATOM 1365 N LYS A 88 9.379 7.812 -8.771 1.00 73.34 N ATOM 1366 CA LYS A 88 9.738 7.619 -7.376 1.00 10.55 C ATOM 1367 C LYS A 88 8.898 6.482 -6.791 1.00 15.32 C ATOM 1368 O LYS A 88 9.441 5.510 -6.270 1.00 51.24 O ATOM 1369 CB LYS A 88 9.616 8.934 -6.604 1.00 73.43 C ATOM 1370 CG LYS A 88 10.219 10.095 -7.399 1.00 35.34 C ATOM 1371 CD LYS A 88 11.646 9.770 -7.846 1.00 1.31 C ATOM 1372 CE LYS A 88 12.273 10.956 -8.581 1.00 44.14 C ATOM 1373 NZ LYS A 88 11.537 11.237 -9.834 1.00 21.31 N1+ ATOM 0 H LYS A 88 8.649 8.506 -8.931 1.00 73.34 H new ATOM 0 HA LYS A 88 10.783 7.322 -7.289 1.00 10.55 H new ATOM 0 HB2 LYS A 88 8.567 9.140 -6.393 1.00 73.43 H new ATOM 0 HB3 LYS A 88 10.123 8.844 -5.643 1.00 73.43 H new ATOM 0 HG2 LYS A 88 9.599 10.304 -8.271 1.00 35.34 H new ATOM 0 HG3 LYS A 88 10.222 10.997 -6.787 1.00 35.34 H new ATOM 0 HD2 LYS A 88 12.253 9.513 -6.978 1.00 1.31 H new ATOM 0 HD3 LYS A 88 11.637 8.897 -8.498 1.00 1.31 H new ATOM 0 HE2 LYS A 88 12.260 11.837 -7.939 1.00 44.14 H new ATOM 0 HE3 LYS A 88 13.318 10.741 -8.806 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 12.069 11.927 -10.402 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 11.424 10.356 -10.375 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 10.600 11.626 -9.606 1.00 21.31 H new ATOM 1386 N GLU A 89 7.587 6.643 -6.895 1.00 4.13 N ATOM 1387 CA GLU A 89 6.667 5.643 -6.383 1.00 30.31 C ATOM 1388 C GLU A 89 6.953 4.281 -7.020 1.00 34.03 C ATOM 1389 O GLU A 89 6.836 3.248 -6.365 1.00 20.11 O ATOM 1390 CB GLU A 89 5.215 6.063 -6.614 1.00 13.22 C ATOM 1391 CG GLU A 89 4.257 4.903 -6.336 1.00 72.24 C ATOM 1392 CD GLU A 89 2.829 5.410 -6.119 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.538 6.009 -5.073 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.010 5.162 -7.084 1.00 73.44 O1- ATOM 0 H GLU A 89 7.140 7.452 -7.327 1.00 4.13 H new ATOM 0 HA GLU A 89 6.818 5.557 -5.307 1.00 30.31 H new ATOM 0 HB2 GLU A 89 4.969 6.905 -5.967 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.090 6.404 -7.642 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.275 4.204 -7.172 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.590 4.355 -5.455 1.00 72.24 H new ATOM 1402 N GLU A 90 7.322 4.326 -8.293 1.00 5.05 N ATOM 1403 CA GLU A 90 7.626 3.110 -9.026 1.00 64.24 C ATOM 1404 C GLU A 90 8.703 2.304 -8.297 1.00 42.35 C ATOM 1405 O GLU A 90 8.865 1.110 -8.544 1.00 45.31 O ATOM 1406 CB GLU A 90 8.056 3.427 -10.460 1.00 25.43 C ATOM 1407 CG GLU A 90 7.673 2.291 -11.412 1.00 31.10 C ATOM 1408 CD GLU A 90 8.157 2.580 -12.834 1.00 25.43 C ATOM 1409 OE1 GLU A 90 8.135 3.741 -13.272 1.00 53.11 O ATOM 1410 OE2 GLU A 90 8.569 1.550 -13.490 1.00 24.22 O1- ATOM 0 H GLU A 90 7.417 5.186 -8.834 1.00 5.05 H new ATOM 0 HA GLU A 90 6.721 2.505 -9.078 1.00 64.24 H new ATOM 0 HB2 GLU A 90 7.586 4.355 -10.788 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.134 3.586 -10.493 1.00 25.43 H new ATOM 0 HG2 GLU A 90 8.107 1.355 -11.060 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.591 2.161 -11.412 1.00 31.10 H new ATOM 1418 N ARG A 91 9.412 2.990 -7.412 1.00 31.35 N ATOM 1419 CA ARG A 91 10.470 2.353 -6.645 1.00 20.15 C ATOM 1420 C ARG A 91 9.960 1.973 -5.253 1.00 3.32 C ATOM 1421 O ARG A 91 10.410 0.989 -4.671 1.00 1.04 O ATOM 1422 CB ARG A 91 11.680 3.278 -6.504 1.00 14.11 C ATOM 1423 CG ARG A 91 12.362 3.499 -7.855 1.00 42.25 C ATOM 1424 CD ARG A 91 13.812 3.954 -7.670 1.00 41.32 C ATOM 1425 NE ARG A 91 13.848 5.388 -7.306 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.629 6.396 -8.178 1.00 1.11 C ATOM 1427 NH1 ARG A 91 13.354 6.133 -9.473 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.687 7.641 -7.743 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.275 3.980 -7.209 1.00 31.35 H new ATOM 0 HA ARG A 91 10.775 1.454 -7.181 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.364 4.236 -6.091 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.392 2.847 -5.800 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.338 2.576 -8.434 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.812 4.247 -8.426 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.292 3.360 -6.892 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.374 3.789 -8.589 1.00 41.32 H new ATOM 0 HE ARG A 91 14.051 5.630 -6.336 1.00 5.33 H new ATOM 0 HH11 ARG A 91 13.310 5.168 -9.799 1.00 41.21 H new ATOM 0 HH12 ARG A 91 13.190 6.900 -10.125 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.895 7.829 -6.762 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.524 8.415 -8.388 1.00 32.24 H new ATOM 1441 N ALA A 92 9.028 2.776 -4.760 1.00 43.14 N ATOM 1442 CA ALA A 92 8.453 2.536 -3.447 1.00 61.50 C ATOM 1443 C ALA A 92 7.623 1.252 -3.486 1.00 12.24 C ATOM 1444 O ALA A 92 7.316 0.675 -2.443 1.00 11.23 O ATOM 1445 CB ALA A 92 7.627 3.752 -3.022 1.00 62.14 C ATOM 0 H ALA A 92 8.657 3.593 -5.246 1.00 43.14 H new ATOM 0 HA ALA A 92 9.238 2.399 -2.703 1.00 61.50 H new ATOM 0 HB1 ALA A 92 7.195 3.573 -2.037 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.269 4.632 -2.982 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.827 3.919 -3.744 1.00 62.14 H new ATOM 1451 N ASP A 93 7.282 0.842 -4.698 1.00 75.33 N ATOM 1452 CA ASP A 93 6.492 -0.364 -4.886 1.00 73.40 C ATOM 1453 C ASP A 93 7.430 -1.561 -5.054 1.00 31.00 C ATOM 1454 O ASP A 93 7.310 -2.554 -4.338 1.00 62.34 O ATOM 1455 CB ASP A 93 5.624 -0.264 -6.142 1.00 62.14 C ATOM 1456 CG ASP A 93 4.526 0.800 -6.085 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.368 1.502 -5.075 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.803 0.894 -7.150 1.00 64.24 O1- ATOM 0 H ASP A 93 7.538 1.323 -5.560 1.00 75.33 H new ATOM 0 HA ASP A 93 5.850 -0.486 -4.013 1.00 73.40 H new ATOM 0 HB2 ASP A 93 6.269 -0.054 -6.995 1.00 62.14 H new ATOM 0 HB3 ASP A 93 5.161 -1.234 -6.324 1.00 62.14 H new ATOM 1464 N LEU A 94 8.344 -1.428 -6.005 1.00 12.24 N ATOM 1465 CA LEU A 94 9.301 -2.486 -6.275 1.00 1.33 C ATOM 1466 C LEU A 94 10.150 -2.733 -5.027 1.00 21.32 C ATOM 1467 O LEU A 94 10.600 -3.852 -4.788 1.00 4.12 O ATOM 1468 CB LEU A 94 10.124 -2.157 -7.524 1.00 1.22 C ATOM 1469 CG LEU A 94 11.327 -3.065 -7.792 1.00 64.13 C ATOM 1470 CD1 LEU A 94 10.877 -4.424 -8.334 1.00 14.55 C ATOM 1471 CD2 LEU A 94 12.332 -2.382 -8.721 1.00 54.24 C ATOM 0 H LEU A 94 8.441 -0.603 -6.597 1.00 12.24 H new ATOM 0 HA LEU A 94 8.784 -3.419 -6.497 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.464 -2.196 -8.391 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.480 -1.130 -7.440 1.00 1.22 H new ATOM 0 HG LEU A 94 11.836 -3.248 -6.846 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.750 -5.050 -8.516 1.00 14.55 H new ATOM 0 HD12 LEU A 94 10.228 -4.910 -7.605 1.00 14.55 H new ATOM 0 HD13 LEU A 94 10.332 -4.281 -9.267 1.00 14.55 H new ATOM 0 HD21 LEU A 94 13.177 -3.048 -8.895 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.850 -2.150 -9.671 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.686 -1.460 -8.259 1.00 54.24 H new ATOM 1483 N ILE A 95 10.343 -1.668 -4.262 1.00 21.15 N ATOM 1484 CA ILE A 95 11.129 -1.755 -3.043 1.00 63.21 C ATOM 1485 C ILE A 95 10.243 -2.264 -1.905 1.00 63.41 C ATOM 1486 O ILE A 95 10.744 -2.651 -0.849 1.00 23.11 O ATOM 1487 CB ILE A 95 11.805 -0.415 -2.745 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.725 0.003 -3.894 1.00 32.14 C ATOM 1489 CG2 ILE A 95 12.543 -0.459 -1.406 1.00 73.02 C ATOM 1490 CD1 ILE A 95 13.060 1.494 -3.813 1.00 73.24 C ATOM 0 H ILE A 95 9.969 -0.741 -4.463 1.00 21.15 H new ATOM 0 HA ILE A 95 11.939 -2.475 -3.162 1.00 63.21 H new ATOM 0 HB ILE A 95 11.030 0.347 -2.660 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.644 -0.582 -3.860 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.244 -0.214 -4.848 1.00 32.14 H new ATOM 0 HG21 ILE A 95 13.014 0.506 -1.219 1.00 73.02 H new ATOM 0 HG22 ILE A 95 11.835 -0.678 -0.607 1.00 73.02 H new ATOM 0 HG23 ILE A 95 13.307 -1.236 -1.437 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.715 1.765 -4.641 1.00 73.24 H new ATOM 0 HD12 ILE A 95 12.141 2.077 -3.871 1.00 73.24 H new ATOM 0 HD13 ILE A 95 13.563 1.703 -2.869 1.00 73.24 H new ATOM 1502 N ALA A 96 8.943 -2.247 -2.157 1.00 32.22 N ATOM 1503 CA ALA A 96 7.982 -2.702 -1.166 1.00 61.14 C ATOM 1504 C ALA A 96 7.797 -4.215 -1.299 1.00 33.13 C ATOM 1505 O ALA A 96 7.652 -4.917 -0.300 1.00 22.11 O ATOM 1506 CB ALA A 96 6.669 -1.936 -1.338 1.00 55.41 C ATOM 0 H ALA A 96 8.532 -1.925 -3.033 1.00 32.22 H new ATOM 0 HA ALA A 96 8.346 -2.502 -0.158 1.00 61.14 H new ATOM 0 HB1 ALA A 96 5.949 -2.277 -0.595 1.00 55.41 H new ATOM 0 HB2 ALA A 96 6.850 -0.869 -1.205 1.00 55.41 H new ATOM 0 HB3 ALA A 96 6.272 -2.115 -2.337 1.00 55.41 H new ATOM 1512 N TYR A 97 7.806 -4.672 -2.543 1.00 60.33 N ATOM 1513 CA TYR A 97 7.640 -6.089 -2.821 1.00 13.11 C ATOM 1514 C TYR A 97 8.960 -6.841 -2.641 1.00 22.34 C ATOM 1515 O TYR A 97 8.971 -7.989 -2.199 1.00 64.42 O ATOM 1516 CB TYR A 97 7.207 -6.185 -4.284 1.00 3.14 C ATOM 1517 CG TYR A 97 7.552 -7.518 -4.949 1.00 15.05 C ATOM 1518 CD1 TYR A 97 7.355 -8.701 -4.267 1.00 21.51 C ATOM 1519 CD2 TYR A 97 8.059 -7.539 -6.233 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.680 -9.957 -4.893 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.384 -8.794 -6.859 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.179 -9.941 -6.158 1.00 73.54 C ATOM 1523 OH TYR A 97 8.486 -11.127 -6.749 1.00 60.45 O ATOM 0 H TYR A 97 7.926 -4.086 -3.369 1.00 60.33 H new ATOM 0 HA TYR A 97 6.912 -6.530 -2.141 1.00 13.11 H new ATOM 0 HB2 TYR A 97 6.130 -6.029 -4.344 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.678 -5.378 -4.845 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.957 -8.685 -3.263 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.212 -6.613 -6.768 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.531 -10.890 -4.370 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.782 -8.824 -7.863 1.00 1.23 H new ATOM 0 HH TYR A 97 8.076 -11.860 -6.244 1.00 60.45 H new ATOM 1533 N LEU A 98 10.043 -6.164 -2.994 1.00 52.20 N ATOM 1534 CA LEU A 98 11.366 -6.753 -2.878 1.00 32.23 C ATOM 1535 C LEU A 98 11.758 -6.830 -1.401 1.00 0.11 C ATOM 1536 O LEU A 98 12.444 -7.762 -0.985 1.00 31.23 O ATOM 1537 CB LEU A 98 12.371 -5.989 -3.742 1.00 12.22 C ATOM 1538 CG LEU A 98 12.349 -6.309 -5.238 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.448 -5.545 -5.979 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.439 -7.818 -5.477 1.00 14.05 C ATOM 0 H LEU A 98 10.031 -5.212 -3.361 1.00 52.20 H new ATOM 0 HA LEU A 98 11.363 -7.774 -3.261 1.00 32.23 H new ATOM 0 HB2 LEU A 98 12.190 -4.921 -3.616 1.00 12.22 H new ATOM 0 HB3 LEU A 98 13.373 -6.190 -3.362 1.00 12.22 H new ATOM 0 HG LEU A 98 11.395 -5.974 -5.645 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.410 -5.791 -7.040 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.297 -4.473 -5.849 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.421 -5.826 -5.576 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.421 -8.018 -6.548 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.368 -8.199 -5.052 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.592 -8.313 -5.001 1.00 14.05 H new ATOM 1552 N LYS A 99 11.305 -5.837 -0.649 1.00 42.13 N ATOM 1553 CA LYS A 99 11.600 -5.779 0.772 1.00 65.14 C ATOM 1554 C LYS A 99 10.719 -6.789 1.511 1.00 74.10 C ATOM 1555 O LYS A 99 11.135 -7.361 2.518 1.00 12.40 O ATOM 1556 CB LYS A 99 11.462 -4.347 1.290 1.00 53.10 C ATOM 1557 CG LYS A 99 9.993 -3.928 1.364 1.00 51.40 C ATOM 1558 CD LYS A 99 9.856 -2.491 1.868 1.00 53.31 C ATOM 1559 CE LYS A 99 8.469 -2.250 2.468 1.00 14.20 C ATOM 1560 NZ LYS A 99 8.263 -3.106 3.658 1.00 30.50 N1+ ATOM 0 H LYS A 99 10.736 -5.066 -0.998 1.00 42.13 H new ATOM 0 HA LYS A 99 12.636 -6.061 0.959 1.00 65.14 H new ATOM 0 HB2 LYS A 99 11.916 -4.269 2.278 1.00 53.10 H new ATOM 0 HB3 LYS A 99 12.005 -3.666 0.635 1.00 53.10 H new ATOM 0 HG2 LYS A 99 9.536 -4.016 0.378 1.00 51.40 H new ATOM 0 HG3 LYS A 99 9.452 -4.603 2.028 1.00 51.40 H new ATOM 0 HD2 LYS A 99 10.621 -2.291 2.619 1.00 53.31 H new ATOM 0 HD3 LYS A 99 10.026 -1.796 1.046 1.00 53.31 H new ATOM 0 HE2 LYS A 99 8.363 -1.201 2.745 1.00 14.20 H new ATOM 0 HE3 LYS A 99 7.702 -2.462 1.723 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 7.986 -2.515 4.467 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 7.512 -3.798 3.462 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 9.146 -3.608 3.882 1.00 30.50 H new ATOM 1573 N LYS A 100 9.519 -6.976 0.985 1.00 45.50 N ATOM 1574 CA LYS A 100 8.575 -7.905 1.583 1.00 71.42 C ATOM 1575 C LYS A 100 8.830 -9.310 1.029 1.00 15.31 C ATOM 1576 O LYS A 100 8.479 -10.303 1.663 1.00 13.03 O ATOM 1577 CB LYS A 100 7.140 -7.417 1.382 1.00 23.01 C ATOM 1578 CG LYS A 100 6.174 -8.158 2.308 1.00 62.30 C ATOM 1579 CD LYS A 100 4.770 -8.217 1.701 1.00 21.42 C ATOM 1580 CE LYS A 100 4.603 -9.459 0.824 1.00 4.03 C ATOM 1581 NZ LYS A 100 4.367 -10.656 1.660 1.00 72.11 N1+ ATOM 0 H LYS A 100 9.177 -6.500 0.150 1.00 45.50 H new ATOM 0 HA LYS A 100 8.721 -7.954 2.662 1.00 71.42 H new ATOM 0 HB2 LYS A 100 7.086 -6.346 1.576 1.00 23.01 H new ATOM 0 HB3 LYS A 100 6.843 -7.568 0.344 1.00 23.01 H new ATOM 0 HG2 LYS A 100 6.540 -9.169 2.487 1.00 62.30 H new ATOM 0 HG3 LYS A 100 6.135 -7.657 3.275 1.00 62.30 H new ATOM 0 HD2 LYS A 100 4.026 -8.227 2.497 1.00 21.42 H new ATOM 0 HD3 LYS A 100 4.589 -7.321 1.107 1.00 21.42 H new ATOM 0 HE2 LYS A 100 3.768 -9.317 0.138 1.00 4.03 H new ATOM 0 HE3 LYS A 100 5.495 -9.604 0.215 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 4.731 -11.498 1.171 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 4.857 -10.545 2.571 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 3.347 -10.767 1.827 1.00 72.11 H new ATOM 1594 N ALA A 101 9.438 -9.346 -0.147 1.00 64.02 N ATOM 1595 CA ALA A 101 9.743 -10.612 -0.793 1.00 24.13 C ATOM 1596 C ALA A 101 10.850 -11.324 -0.012 1.00 72.45 C ATOM 1597 O ALA A 101 10.925 -12.551 -0.016 1.00 21.11 O ATOM 1598 CB ALA A 101 10.130 -10.360 -2.252 1.00 75.14 C ATOM 0 H ALA A 101 9.728 -8.519 -0.670 1.00 64.02 H new ATOM 0 HA ALA A 101 8.869 -11.263 -0.795 1.00 24.13 H new ATOM 0 HB1 ALA A 101 10.359 -11.309 -2.737 1.00 75.14 H new ATOM 0 HB2 ALA A 101 9.301 -9.878 -2.770 1.00 75.14 H new ATOM 0 HB3 ALA A 101 11.006 -9.713 -2.289 1.00 75.14 H new ATOM 1604 N THR A 102 11.680 -10.523 0.640 1.00 15.34 N ATOM 1605 CA THR A 102 12.779 -11.061 1.423 1.00 4.43 C ATOM 1606 C THR A 102 12.455 -10.987 2.916 1.00 51.23 C ATOM 1607 O THR A 102 13.338 -11.155 3.755 1.00 33.25 O ATOM 1608 CB THR A 102 14.051 -10.301 1.039 1.00 53.10 C ATOM 1609 OG1 THR A 102 13.837 -8.988 1.547 1.00 60.21 O ATOM 1610 CG2 THR A 102 14.178 -10.100 -0.472 1.00 73.13 C ATOM 0 H THR A 102 11.613 -9.505 0.642 1.00 15.34 H new ATOM 0 HA THR A 102 12.938 -12.118 1.208 1.00 4.43 H new ATOM 0 HB THR A 102 14.923 -10.841 1.408 1.00 53.10 H new ATOM 0 HG1 THR A 102 13.380 -8.446 0.870 1.00 60.21 H new ATOM 0 HG21 THR A 102 15.097 -9.556 -0.691 1.00 73.13 H new ATOM 0 HG22 THR A 102 14.204 -11.071 -0.967 1.00 73.13 H new ATOM 0 HG23 THR A 102 13.323 -9.530 -0.836 1.00 73.13 H new ATOM 1618 N ASN A 103 11.186 -10.736 3.202 1.00 70.44 N ATOM 1619 CA ASN A 103 10.734 -10.638 4.580 1.00 11.44 C ATOM 1620 C ASN A 103 9.964 -11.907 4.950 1.00 44.21 C ATOM 1621 O ASN A 103 10.200 -12.495 6.004 1.00 20.15 O ATOM 1622 CB ASN A 103 9.797 -9.444 4.768 1.00 54.20 C ATOM 1623 CG ASN A 103 9.253 -9.394 6.198 1.00 33.53 C ATOM 1624 OD1 ASN A 103 9.958 -9.623 7.166 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.962 -9.083 6.275 1.00 23.31 N ATOM 0 H ASN A 103 10.456 -10.597 2.503 1.00 70.44 H new ATOM 0 HA ASN A 103 11.611 -10.511 5.215 1.00 11.44 H new ATOM 0 HB2 ASN A 103 10.330 -8.520 4.545 1.00 54.20 H new ATOM 0 HB3 ASN A 103 8.969 -9.512 4.062 1.00 54.20 H new ATOM 0 HD21 ASN A 103 7.505 -9.025 7.185 1.00 23.31 H new ATOM 0 HD22 ASN A 103 7.429 -8.903 5.424 1.00 23.31 H new ATOM 1632 N GLU A 104 9.057 -12.290 4.063 1.00 23.13 N ATOM 1633 CA GLU A 104 8.250 -13.478 4.284 1.00 54.13 C ATOM 1634 C GLU A 104 9.096 -14.584 4.918 1.00 73.12 C ATOM 1635 O GLU A 104 8.766 -15.764 4.806 1.00 31.02 O ATOM 1636 CB GLU A 104 7.610 -13.957 2.980 1.00 64.13 C ATOM 1637 CG GLU A 104 6.465 -13.034 2.559 1.00 74.30 C ATOM 1638 CD GLU A 104 5.168 -13.405 3.282 1.00 30.24 C ATOM 1639 OE1 GLU A 104 4.449 -12.516 3.762 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.916 -14.670 3.335 1.00 71.21 O1- ATOM 0 H GLU A 104 8.863 -11.799 3.190 1.00 23.13 H new ATOM 0 HA GLU A 104 7.445 -13.223 4.973 1.00 54.13 H new ATOM 0 HB2 GLU A 104 8.363 -13.991 2.192 1.00 64.13 H new ATOM 0 HB3 GLU A 104 7.235 -14.973 3.106 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.726 -11.999 2.781 1.00 74.30 H new ATOM 0 HG3 GLU A 104 6.317 -13.101 1.481 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.552 -6.774 -8.451 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.814 -6.835 -5.833 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.307 -5.098 -6.476 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.796 -6.157 -11.247 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.680 -8.905 -10.222 1.00 22.15 C HETATM 1654 NA HEC A 500 20.590 -6.030 -6.533 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.618 -6.174 -5.667 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.233 -5.591 -4.419 1.00 55.42 C HETATM 1657 C3A HEC A 500 19.955 -5.105 -4.564 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.543 -5.411 -5.917 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.177 -4.343 -3.523 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.045 -5.679 -3.158 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.235 -7.108 -2.642 1.00 50.33 C HETATM 1662 CGA HEC A 500 21.107 -7.474 -1.691 1.00 24.15 C HETATM 1663 O1A HEC A 500 21.421 -7.890 -0.557 1.00 51.15 O HETATM 1664 O2A HEC A 500 19.942 -7.253 -2.091 1.00 64.43 O HETATM 1665 NB HEC A 500 18.816 -5.881 -8.783 1.00 15.25 N HETATM 1666 C1B HEC A 500 18.032 -5.294 -7.834 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.824 -4.870 -8.495 1.00 23.13 C HETATM 1668 C3B HEC A 500 17.022 -5.032 -9.852 1.00 22.40 C HETATM 1669 C4B HEC A 500 18.278 -5.725 -10.018 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.583 -4.364 -7.810 1.00 22.42 C HETATM 1671 CAB HEC A 500 16.085 -4.634 -10.974 1.00 55.14 C HETATM 1672 CBB HEC A 500 15.358 -3.300 -10.783 1.00 1.25 C HETATM 1673 NC HEC A 500 20.688 -7.454 -10.398 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.844 -7.062 -11.369 1.00 70.35 C HETATM 1675 C2C HEC A 500 20.170 -7.810 -12.566 1.00 1.23 C HETATM 1676 C3C HEC A 500 21.174 -8.693 -12.229 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.581 -8.362 -10.881 1.00 2.33 C HETATM 1678 CMC HEC A 500 19.402 -7.796 -13.867 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.696 -9.864 -13.053 1.00 40.04 C HETATM 1680 CBC HEC A 500 22.380 -9.458 -14.364 1.00 35.45 C HETATM 1681 ND HEC A 500 22.402 -7.720 -8.079 1.00 31.33 N HETATM 1682 C1D HEC A 500 23.052 -8.553 -8.933 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.255 -9.003 -8.270 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.310 -8.367 -7.055 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.117 -7.580 -6.939 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.289 -9.956 -8.809 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.471 -8.382 -6.091 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.551 -7.388 -6.516 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.934 -7.826 -6.082 1.00 13.34 C HETATM 1690 O1D HEC A 500 28.486 -7.191 -5.162 1.00 32.14 O HETATM 1691 O2D HEC A 500 28.454 -8.779 -6.693 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.821 -10.916 -9.025 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.718 -9.548 -9.724 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 26.077 -10.095 -8.069 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 18.382 -8.138 -13.691 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 19.381 -6.782 -14.266 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.888 -8.458 -14.584 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.195 -5.135 -7.145 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.825 -3.473 -7.231 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.830 -4.117 -8.558 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.060 -4.960 -2.632 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 19.713 -3.430 -3.264 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.194 -4.087 -3.919 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 26.531 -7.274 -7.600 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.331 -6.410 -6.089 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 21.672 -8.918 -14.992 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 23.234 -8.817 -14.145 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 22.721 -10.351 -14.888 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.753 -3.342 -9.877 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 16.089 -2.497 -10.694 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.714 -3.111 -11.642 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 22.256 -7.806 -3.479 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 23.194 -7.194 -2.131 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.119 -8.135 -5.089 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 25.894 -9.385 -6.042 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.024 -5.234 -3.336 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 21.561 -5.085 -2.383 1.00 52.15 H new HETATM 0 HHD HEC A 500 23.281 -9.647 -10.747 1.00 22.15 H new HETATM 0 HHC HEC A 500 18.351 -5.760 -12.160 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.528 -4.687 -5.835 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.559 -6.761 -5.041 1.00 70.41 H new HETATM 0 H2A HEC A 500 19.518 -8.099 -2.346 1.00 64.43 H new