USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 889 hydrogens (40 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -77:sc= 0.71 USER MOD Set 1.2: A 103 ASN : amide:sc= -4.02! K(o=-3.3!,f=-1.1) USER MOD Set 2.1: A 67 TYR OH : rot 43:sc= 0.513 USER MOD Set 2.2: A 80 MET CE :methyl 146:sc= -1.59 (180deg=-1.87) USER MOD Set 3.1: A 31 ASN : amide:sc= -9! C(o=-15!,f=-15!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -6.44! C(o=-15!,f=-24!) USER MOD Single : A 1 GLY N :NH3+ 155:sc= -0.162 (180deg=-0.973) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 GLN : amide:sc= -2.03! C(o=-2!,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= 0.0144 (180deg=-0.214) USER MOD Single : A 16 GLN : amide:sc= 2.82 K(o=2.8,f=0.17) USER MOD Single : A 19 THR OG1 : rot 88:sc= 1.06 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= -1.78 (180deg=-2.08) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc=-0.00177 (180deg=-0.193) USER MOD Single : A 26 HIS : no HD1:sc= 0.682 K(o=0.68,f=-3.3!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0313 (180deg=-0.269) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.712 USER MOD Single : A 42 GLN : amide:sc= -5.92! C(o=-5.9!,f=-4.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -120:sc= -0.875 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.878 USER MOD Single : A 52 ASN : amide:sc= -0.305 K(o=-0.31,f=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -10! C(o=-10!,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ -105:sc= -2 (180deg=-4.76!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 79:sc= -2.39! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -6.32! K(o=-6.3!,f=-0.69) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -3.05! (180deg=-3.93!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 37:sc= 0.0838 USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= -0.216 (180deg=-0.445) USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= -0.0364 (180deg=-0.907) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.0564 (180deg=-0.46) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 132:sc= 0.0973 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.513 8.959 -5.350 1.00 0.00 N ATOM 2 CA GLY A 1 74.313 9.239 -6.575 1.00 0.00 C ATOM 3 C GLY A 1 73.715 8.489 -7.760 1.00 0.00 C ATOM 4 O GLY A 1 72.541 8.121 -7.745 1.00 0.00 O ATOM 0 H1 GLY A 1 74.109 9.092 -4.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 72.704 9.611 -5.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 73.167 7.979 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 74.324 10.310 -6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 1 75.348 8.933 -6.423 1.00 0.00 H new ATOM 10 N ASP A 2 74.532 8.262 -8.785 1.00 0.00 N ATOM 11 CA ASP A 2 74.074 7.553 -9.976 1.00 0.00 C ATOM 12 C ASP A 2 74.410 6.072 -9.882 1.00 0.00 C ATOM 13 O ASP A 2 75.442 5.626 -10.377 1.00 0.00 O ATOM 14 CB ASP A 2 74.727 8.145 -11.224 1.00 0.00 C ATOM 15 CG ASP A 2 74.192 9.549 -11.479 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.087 9.658 -11.986 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.895 10.495 -11.165 1.00 0.00 O1- ATOM 0 H ASP A 2 75.508 8.556 -8.815 1.00 0.00 H new ATOM 0 HA ASP A 2 72.992 7.666 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.809 8.177 -11.097 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.526 7.509 -12.086 1.00 0.00 H new ATOM 22 N VAL A 3 73.522 5.316 -9.251 1.00 0.00 N ATOM 23 CA VAL A 3 73.720 3.882 -9.102 1.00 0.00 C ATOM 24 C VAL A 3 74.132 3.266 -10.434 1.00 0.00 C ATOM 25 O VAL A 3 74.689 2.168 -10.477 1.00 0.00 O ATOM 26 CB VAL A 3 72.423 3.235 -8.615 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.318 3.480 -9.644 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.631 1.729 -8.440 1.00 0.00 C ATOM 0 H VAL A 3 72.661 5.671 -8.836 1.00 0.00 H new ATOM 0 HA VAL A 3 74.511 3.707 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 3 72.137 3.672 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.392 3.020 -9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.167 4.552 -9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.607 3.042 -10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.704 1.272 -8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.918 1.288 -9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.419 1.553 -7.708 1.00 0.00 H new ATOM 38 N GLU A 4 73.853 3.979 -11.522 1.00 0.00 N ATOM 39 CA GLU A 4 74.196 3.487 -12.852 1.00 0.00 C ATOM 40 C GLU A 4 75.700 3.576 -13.092 1.00 0.00 C ATOM 41 O GLU A 4 76.358 2.567 -13.352 1.00 0.00 O ATOM 42 CB GLU A 4 73.459 4.301 -13.917 1.00 0.00 C ATOM 43 CG GLU A 4 71.950 4.169 -13.707 1.00 0.00 C ATOM 44 CD GLU A 4 71.205 5.051 -14.702 1.00 0.00 C ATOM 45 OE1 GLU A 4 70.929 4.579 -15.792 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.922 6.188 -14.359 1.00 0.00 O ATOM 0 H GLU A 4 73.395 4.890 -11.510 1.00 0.00 H new ATOM 0 HA GLU A 4 73.893 2.442 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.755 5.348 -13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.731 3.948 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.647 3.130 -13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.690 4.456 -12.688 1.00 0.00 H new ATOM 53 N LYS A 5 76.243 4.785 -12.995 1.00 0.00 N ATOM 54 CA LYS A 5 77.672 4.978 -13.199 1.00 0.00 C ATOM 55 C LYS A 5 78.443 4.426 -12.012 1.00 0.00 C ATOM 56 O LYS A 5 79.639 4.149 -12.109 1.00 0.00 O ATOM 57 CB LYS A 5 77.987 6.466 -13.379 1.00 0.00 C ATOM 58 CG LYS A 5 77.575 6.911 -14.785 1.00 0.00 C ATOM 59 CD LYS A 5 77.659 8.440 -14.891 1.00 0.00 C ATOM 60 CE LYS A 5 76.328 9.064 -14.463 1.00 0.00 C ATOM 61 NZ LYS A 5 76.536 10.503 -14.135 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.722 5.635 -12.779 1.00 0.00 H new ATOM 0 HA LYS A 5 77.973 4.444 -14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.456 7.054 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 5 79.052 6.644 -13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.225 6.449 -15.528 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.560 6.578 -14.999 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.466 8.814 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.895 8.730 -15.915 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.594 8.965 -15.263 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.929 8.537 -13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.632 10.927 -13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.223 10.586 -13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.898 11.001 -14.973 1.00 0.00 H new ATOM 75 N GLY A 6 77.746 4.250 -10.898 1.00 0.00 N ATOM 76 CA GLY A 6 78.375 3.706 -9.707 1.00 0.00 C ATOM 77 C GLY A 6 78.663 2.231 -9.926 1.00 0.00 C ATOM 78 O GLY A 6 79.690 1.707 -9.489 1.00 0.00 O ATOM 0 H GLY A 6 76.756 4.474 -10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.300 4.242 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.723 3.838 -8.844 1.00 0.00 H new ATOM 82 N LYS A 7 77.750 1.573 -10.630 1.00 0.00 N ATOM 83 CA LYS A 7 77.904 0.162 -10.935 1.00 0.00 C ATOM 84 C LYS A 7 79.048 -0.034 -11.923 1.00 0.00 C ATOM 85 O LYS A 7 79.854 -0.949 -11.776 1.00 0.00 O ATOM 86 CB LYS A 7 76.607 -0.388 -11.537 1.00 0.00 C ATOM 87 CG LYS A 7 76.687 -1.921 -11.635 1.00 0.00 C ATOM 88 CD LYS A 7 76.210 -2.385 -13.018 1.00 0.00 C ATOM 89 CE LYS A 7 77.279 -2.076 -14.075 1.00 0.00 C ATOM 90 NZ LYS A 7 77.134 -3.025 -15.216 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.898 1.996 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 7 78.128 -0.375 -10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.757 -0.098 -10.919 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.444 0.041 -12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.712 -2.251 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.073 -2.376 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.004 -3.455 -13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.277 -1.885 -13.276 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.174 -1.049 -14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 7 78.274 -2.163 -13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.857 -2.818 -15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.255 -4.000 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.189 -2.920 -15.637 1.00 0.00 H new ATOM 104 N LYS A 8 79.115 0.836 -12.929 1.00 0.00 N ATOM 105 CA LYS A 8 80.170 0.743 -13.931 1.00 0.00 C ATOM 106 C LYS A 8 81.547 0.872 -13.282 1.00 0.00 C ATOM 107 O LYS A 8 82.453 0.079 -13.549 1.00 0.00 O ATOM 108 CB LYS A 8 79.990 1.844 -14.981 1.00 0.00 C ATOM 109 CG LYS A 8 81.168 1.824 -15.970 1.00 0.00 C ATOM 110 CD LYS A 8 82.154 2.954 -15.641 1.00 0.00 C ATOM 111 CE LYS A 8 81.568 4.307 -16.063 1.00 0.00 C ATOM 112 NZ LYS A 8 82.678 5.256 -16.358 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.459 1.604 -13.070 1.00 0.00 H new ATOM 0 HA LYS A 8 80.102 -0.233 -14.411 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.052 1.698 -15.517 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.930 2.817 -14.493 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.677 0.861 -15.921 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.799 1.938 -16.989 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.369 2.960 -14.572 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.100 2.783 -16.155 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.936 4.184 -16.943 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.935 4.705 -15.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.283 6.174 -16.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 83.263 5.381 -15.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.264 4.876 -17.128 1.00 0.00 H new ATOM 126 N ILE A 9 81.697 1.880 -12.431 1.00 0.00 N ATOM 127 CA ILE A 9 82.964 2.116 -11.754 1.00 0.00 C ATOM 128 C ILE A 9 83.269 0.995 -10.769 1.00 0.00 C ATOM 129 O ILE A 9 84.420 0.783 -10.395 1.00 0.00 O ATOM 130 CB ILE A 9 82.909 3.445 -11.005 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.674 4.585 -12.000 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.233 3.673 -10.274 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.240 5.842 -11.243 1.00 0.00 C ATOM 0 H ILE A 9 80.960 2.544 -12.195 1.00 0.00 H new ATOM 0 HA ILE A 9 83.753 2.147 -12.505 1.00 0.00 H new ATOM 0 HB ILE A 9 82.093 3.420 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.586 4.784 -12.564 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.909 4.300 -12.722 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.194 4.622 -9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.401 2.863 -9.564 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.048 3.697 -10.997 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.073 6.654 -11.951 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.317 5.639 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.020 6.130 -10.539 1.00 0.00 H new ATOM 145 N PHE A 10 82.233 0.290 -10.339 1.00 0.00 N ATOM 146 CA PHE A 10 82.411 -0.796 -9.380 1.00 0.00 C ATOM 147 C PHE A 10 82.871 -2.083 -10.067 1.00 0.00 C ATOM 148 O PHE A 10 83.857 -2.691 -9.654 1.00 0.00 O ATOM 149 CB PHE A 10 81.091 -1.054 -8.640 1.00 0.00 C ATOM 150 CG PHE A 10 81.072 -2.472 -8.119 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.592 -3.506 -8.931 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.548 -2.754 -6.834 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.588 -4.823 -8.459 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.542 -4.072 -6.361 1.00 0.00 C ATOM 155 CZ PHE A 10 81.064 -5.106 -7.174 1.00 0.00 C ATOM 0 H PHE A 10 81.269 0.446 -10.634 1.00 0.00 H new ATOM 0 HA PHE A 10 83.183 -0.495 -8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.982 -0.351 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.248 -0.891 -9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.224 -3.287 -9.923 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.920 -1.956 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.218 -5.621 -9.086 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.906 -4.291 -5.368 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.063 -6.123 -6.809 1.00 0.00 H new ATOM 165 N VAL A 11 82.146 -2.502 -11.099 1.00 0.00 N ATOM 166 CA VAL A 11 82.485 -3.734 -11.810 1.00 0.00 C ATOM 167 C VAL A 11 83.916 -3.707 -12.320 1.00 0.00 C ATOM 168 O VAL A 11 84.563 -4.747 -12.437 1.00 0.00 O ATOM 169 CB VAL A 11 81.542 -3.944 -12.994 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.115 -4.129 -12.485 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.598 -2.726 -13.915 1.00 0.00 C ATOM 0 H VAL A 11 81.327 -2.013 -11.461 1.00 0.00 H new ATOM 0 HA VAL A 11 82.379 -4.555 -11.101 1.00 0.00 H new ATOM 0 HB VAL A 11 81.849 -4.832 -13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.444 -4.279 -13.331 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.072 -4.999 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.808 -3.242 -11.931 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.925 -2.877 -14.759 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.293 -1.837 -13.362 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.616 -2.594 -14.282 1.00 0.00 H new ATOM 181 N GLN A 12 84.396 -2.520 -12.656 1.00 0.00 N ATOM 182 CA GLN A 12 85.748 -2.393 -13.190 1.00 0.00 C ATOM 183 C GLN A 12 86.771 -2.037 -12.113 1.00 0.00 C ATOM 184 O GLN A 12 87.963 -2.297 -12.282 1.00 0.00 O ATOM 185 CB GLN A 12 85.769 -1.320 -14.276 1.00 0.00 C ATOM 186 CG GLN A 12 85.538 0.056 -13.650 1.00 0.00 C ATOM 187 CD GLN A 12 85.288 1.077 -14.753 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.947 2.226 -14.475 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.442 0.720 -15.998 1.00 0.00 N ATOM 0 H GLN A 12 83.882 -1.643 -12.572 1.00 0.00 H new ATOM 0 HA GLN A 12 86.026 -3.363 -13.601 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.726 -1.336 -14.798 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.998 -1.526 -15.018 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.686 0.021 -12.972 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.405 0.349 -13.058 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.725 -0.234 -16.224 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.280 1.394 -16.746 1.00 0.00 H new ATOM 198 N LYS A 13 86.325 -1.406 -11.028 1.00 0.00 N ATOM 199 CA LYS A 13 87.255 -0.990 -9.973 1.00 0.00 C ATOM 200 C LYS A 13 87.262 -1.914 -8.747 1.00 0.00 C ATOM 201 O LYS A 13 88.294 -2.496 -8.422 1.00 0.00 O ATOM 202 CB LYS A 13 86.927 0.440 -9.535 1.00 0.00 C ATOM 203 CG LYS A 13 88.158 1.082 -8.879 1.00 0.00 C ATOM 204 CD LYS A 13 89.079 1.678 -9.955 1.00 0.00 C ATOM 205 CE LYS A 13 88.646 3.114 -10.270 1.00 0.00 C ATOM 206 NZ LYS A 13 89.063 4.014 -9.158 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.347 -1.174 -10.855 1.00 0.00 H new ATOM 0 HA LYS A 13 88.254 -1.047 -10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.614 1.030 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.093 0.432 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.845 1.862 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.700 0.336 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.113 1.668 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 13 89.039 1.070 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.095 3.443 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.565 3.158 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.299 4.952 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.285 4.104 -8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.897 3.615 -8.682 1.00 0.00 H new ATOM 220 N CYS A 14 86.141 -1.998 -8.031 1.00 0.00 N ATOM 221 CA CYS A 14 86.093 -2.802 -6.801 1.00 0.00 C ATOM 222 C CYS A 14 85.826 -4.291 -7.040 1.00 0.00 C ATOM 223 O CYS A 14 86.383 -5.135 -6.339 1.00 0.00 O ATOM 224 CB CYS A 14 85.030 -2.241 -5.851 1.00 0.00 C ATOM 225 SG CYS A 14 84.957 -0.432 -5.993 1.00 0.00 S ATOM 0 H CYS A 14 85.267 -1.530 -8.272 1.00 0.00 H new ATOM 0 HA CYS A 14 87.086 -2.732 -6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.057 -2.671 -6.087 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.263 -2.524 -4.824 1.00 0.00 H new ATOM 230 N ALA A 15 84.974 -4.620 -7.996 1.00 0.00 N ATOM 231 CA ALA A 15 84.658 -6.023 -8.250 1.00 0.00 C ATOM 232 C ALA A 15 85.932 -6.861 -8.330 1.00 0.00 C ATOM 233 O ALA A 15 85.914 -8.059 -8.047 1.00 0.00 O ATOM 234 CB ALA A 15 83.876 -6.157 -9.556 1.00 0.00 C ATOM 0 H ALA A 15 84.495 -3.953 -8.601 1.00 0.00 H new ATOM 0 HA ALA A 15 84.050 -6.389 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.645 -7.207 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.948 -5.589 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.476 -5.771 -10.380 1.00 0.00 H new ATOM 240 N GLN A 16 87.032 -6.227 -8.713 1.00 0.00 N ATOM 241 CA GLN A 16 88.306 -6.931 -8.828 1.00 0.00 C ATOM 242 C GLN A 16 88.583 -7.784 -7.589 1.00 0.00 C ATOM 243 O GLN A 16 88.764 -8.996 -7.695 1.00 0.00 O ATOM 244 CB GLN A 16 89.441 -5.924 -9.022 1.00 0.00 C ATOM 245 CG GLN A 16 89.425 -5.402 -10.460 1.00 0.00 C ATOM 246 CD GLN A 16 90.464 -4.300 -10.625 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.426 -4.459 -11.378 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.328 -3.184 -9.963 1.00 0.00 N ATOM 0 H GLN A 16 87.071 -5.235 -8.948 1.00 0.00 H new ATOM 0 HA GLN A 16 88.249 -7.592 -9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.329 -5.096 -8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.400 -6.396 -8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.633 -6.217 -11.154 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.434 -5.019 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.531 -3.054 -9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.019 -2.441 -10.068 1.00 0.00 H new ATOM 257 N CYS A 17 88.630 -7.146 -6.418 1.00 0.00 N ATOM 258 CA CYS A 17 88.905 -7.869 -5.173 1.00 0.00 C ATOM 259 C CYS A 17 87.812 -7.615 -4.127 1.00 0.00 C ATOM 260 O CYS A 17 88.109 -7.264 -2.985 1.00 0.00 O ATOM 261 CB CYS A 17 90.272 -7.442 -4.608 1.00 0.00 C ATOM 262 SG CYS A 17 91.281 -6.702 -5.924 1.00 0.00 S ATOM 0 H CYS A 17 88.483 -6.143 -6.305 1.00 0.00 H new ATOM 0 HA CYS A 17 88.919 -8.935 -5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.133 -6.726 -3.798 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.786 -8.305 -4.185 1.00 0.00 H new ATOM 267 N HIS A 18 86.551 -7.804 -4.513 1.00 0.00 N ATOM 268 CA HIS A 18 85.444 -7.597 -3.578 1.00 0.00 C ATOM 269 C HIS A 18 84.204 -8.378 -4.013 1.00 0.00 C ATOM 270 O HIS A 18 84.238 -9.123 -4.993 1.00 0.00 O ATOM 271 CB HIS A 18 85.099 -6.107 -3.479 1.00 0.00 C ATOM 272 CG HIS A 18 86.042 -5.427 -2.523 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.793 -5.357 -1.162 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.228 -4.772 -2.720 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.811 -4.678 -0.599 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.716 -4.295 -1.506 1.00 0.00 N ATOM 0 H HIS A 18 86.272 -8.095 -5.450 1.00 0.00 H new ATOM 0 HA HIS A 18 85.763 -7.961 -2.601 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.167 -5.643 -4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.071 -5.984 -3.139 1.00 0.00 H new ATOM 0 HD1 HIS A 18 84.986 -5.748 -0.675 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.714 -4.644 -3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.887 -4.468 0.458 1.00 0.00 H new ATOM 284 N THR A 19 83.114 -8.202 -3.267 1.00 0.00 N ATOM 285 CA THR A 19 81.862 -8.895 -3.566 1.00 0.00 C ATOM 286 C THR A 19 80.668 -7.959 -3.357 1.00 0.00 C ATOM 287 O THR A 19 79.708 -7.978 -4.127 1.00 0.00 O ATOM 288 CB THR A 19 81.730 -10.122 -2.651 1.00 0.00 C ATOM 289 OG1 THR A 19 82.824 -10.144 -1.745 1.00 0.00 O ATOM 290 CG2 THR A 19 81.742 -11.403 -3.486 1.00 0.00 C ATOM 0 H THR A 19 83.073 -7.588 -2.454 1.00 0.00 H new ATOM 0 HA THR A 19 81.872 -9.214 -4.608 1.00 0.00 H new ATOM 0 HB THR A 19 80.790 -10.063 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.600 -9.618 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.648 -12.267 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.908 -11.388 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.679 -11.468 -4.039 1.00 0.00 H new ATOM 298 N VAL A 20 80.745 -7.145 -2.309 1.00 0.00 N ATOM 299 CA VAL A 20 79.682 -6.195 -1.988 1.00 0.00 C ATOM 300 C VAL A 20 78.298 -6.805 -2.197 1.00 0.00 C ATOM 301 O VAL A 20 77.324 -6.084 -2.413 1.00 0.00 O ATOM 302 CB VAL A 20 79.832 -4.930 -2.838 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.270 -4.421 -2.735 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.515 -5.238 -4.299 1.00 0.00 C ATOM 0 H VAL A 20 81.535 -7.123 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 20 79.776 -5.936 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 20 79.139 -4.172 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.381 -3.520 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.501 -4.191 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.954 -5.188 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.625 -4.331 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.202 -6.000 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.491 -5.603 -4.380 1.00 0.00 H new ATOM 314 N GLU A 21 78.214 -8.131 -2.123 1.00 0.00 N ATOM 315 CA GLU A 21 76.934 -8.816 -2.295 1.00 0.00 C ATOM 316 C GLU A 21 76.593 -9.624 -1.045 1.00 0.00 C ATOM 317 O GLU A 21 77.303 -10.562 -0.683 1.00 0.00 O ATOM 318 CB GLU A 21 76.984 -9.730 -3.527 1.00 0.00 C ATOM 319 CG GLU A 21 77.772 -11.003 -3.209 1.00 0.00 C ATOM 320 CD GLU A 21 78.258 -11.653 -4.501 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.861 -10.957 -5.301 1.00 0.00 O ATOM 322 OE2 GLU A 21 78.019 -12.838 -4.671 1.00 0.00 O1- ATOM 0 H GLU A 21 79.007 -8.748 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 21 76.155 -8.069 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.972 -9.988 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.450 -9.204 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.622 -10.764 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.144 -11.701 -2.655 1.00 0.00 H new ATOM 329 N LYS A 22 75.506 -9.242 -0.382 1.00 0.00 N ATOM 330 CA LYS A 22 75.081 -9.925 0.835 1.00 0.00 C ATOM 331 C LYS A 22 75.070 -11.437 0.632 1.00 0.00 C ATOM 332 O LYS A 22 74.765 -11.926 -0.456 1.00 0.00 O ATOM 333 CB LYS A 22 73.681 -9.447 1.236 1.00 0.00 C ATOM 334 CG LYS A 22 73.257 -10.113 2.559 1.00 0.00 C ATOM 335 CD LYS A 22 72.341 -11.316 2.282 1.00 0.00 C ATOM 336 CE LYS A 22 70.881 -10.856 2.228 1.00 0.00 C ATOM 337 NZ LYS A 22 70.741 -9.751 1.238 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.906 -8.467 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 22 75.789 -9.688 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.676 -8.363 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.965 -9.691 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.140 -10.439 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 22 72.738 -9.390 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.619 -11.786 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.466 -12.067 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 22 70.236 -11.690 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 22 70.559 -10.518 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 69.737 -9.497 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.277 -8.922 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.111 -10.061 0.317 1.00 0.00 H new ATOM 351 N GLY A 23 75.404 -12.171 1.689 1.00 0.00 N ATOM 352 CA GLY A 23 75.428 -13.627 1.624 1.00 0.00 C ATOM 353 C GLY A 23 76.355 -14.113 0.516 1.00 0.00 C ATOM 354 O GLY A 23 76.184 -15.213 -0.011 1.00 0.00 O ATOM 0 H GLY A 23 75.661 -11.783 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.758 -14.031 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.420 -14.003 1.449 1.00 0.00 H new ATOM 358 N GLY A 24 77.336 -13.288 0.165 1.00 0.00 N ATOM 359 CA GLY A 24 78.282 -13.646 -0.884 1.00 0.00 C ATOM 360 C GLY A 24 79.486 -14.383 -0.309 1.00 0.00 C ATOM 361 O GLY A 24 79.352 -15.206 0.595 1.00 0.00 O ATOM 0 H GLY A 24 77.496 -12.374 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.787 -14.274 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.615 -12.746 -1.400 1.00 0.00 H new ATOM 365 N LYS A 25 80.662 -14.075 -0.843 1.00 0.00 N ATOM 366 CA LYS A 25 81.894 -14.706 -0.383 1.00 0.00 C ATOM 367 C LYS A 25 83.079 -13.769 -0.592 1.00 0.00 C ATOM 368 O LYS A 25 83.428 -13.435 -1.724 1.00 0.00 O ATOM 369 CB LYS A 25 82.127 -16.014 -1.147 1.00 0.00 C ATOM 370 CG LYS A 25 81.749 -15.823 -2.617 1.00 0.00 C ATOM 371 CD LYS A 25 82.136 -17.073 -3.411 1.00 0.00 C ATOM 372 CE LYS A 25 81.503 -17.009 -4.802 1.00 0.00 C ATOM 373 NZ LYS A 25 80.050 -17.320 -4.702 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.789 -13.395 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 25 81.800 -14.923 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.172 -16.314 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.531 -16.814 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.678 -15.639 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.258 -14.949 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 25 83.221 -17.142 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.800 -17.968 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 25 81.645 -16.018 -5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.993 -17.719 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.684 -17.576 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.910 -18.115 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.540 -16.486 -4.348 1.00 0.00 H new ATOM 387 N HIS A 26 83.694 -13.344 0.506 1.00 0.00 N ATOM 388 CA HIS A 26 84.837 -12.444 0.424 1.00 0.00 C ATOM 389 C HIS A 26 85.912 -13.031 -0.485 1.00 0.00 C ATOM 390 O HIS A 26 86.424 -14.122 -0.236 1.00 0.00 O ATOM 391 CB HIS A 26 85.415 -12.195 1.823 1.00 0.00 C ATOM 392 CG HIS A 26 85.207 -13.411 2.683 1.00 0.00 C ATOM 393 ND1 HIS A 26 83.997 -13.680 3.304 1.00 0.00 N ATOM 394 CD2 HIS A 26 86.046 -14.438 3.039 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.141 -14.826 3.995 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.372 -15.329 3.868 1.00 0.00 N ATOM 0 H HIS A 26 83.423 -13.605 1.454 1.00 0.00 H new ATOM 0 HA HIS A 26 84.502 -11.496 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.478 -11.966 1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.932 -11.330 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 26 87.074 -14.539 2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 26 83.357 -15.283 4.581 1.00 0.00 H new ATOM 0 HE2 HIS A 26 85.739 -16.183 4.288 1.00 0.00 H new ATOM 405 N LYS A 27 86.245 -12.294 -1.542 1.00 0.00 N ATOM 406 CA LYS A 27 87.258 -12.740 -2.496 1.00 0.00 C ATOM 407 C LYS A 27 88.459 -11.801 -2.475 1.00 0.00 C ATOM 408 O LYS A 27 88.311 -10.588 -2.625 1.00 0.00 O ATOM 409 CB LYS A 27 86.666 -12.775 -3.906 1.00 0.00 C ATOM 410 CG LYS A 27 87.631 -13.498 -4.850 1.00 0.00 C ATOM 411 CD LYS A 27 87.182 -13.309 -6.306 1.00 0.00 C ATOM 412 CE LYS A 27 86.115 -14.349 -6.659 1.00 0.00 C ATOM 413 NZ LYS A 27 86.760 -15.679 -6.839 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.830 -11.388 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 27 87.584 -13.741 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.702 -13.285 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.486 -11.760 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.641 -13.109 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.664 -14.560 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.784 -12.304 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.036 -13.409 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.366 -14.400 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.596 -14.058 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.140 -16.291 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.671 -15.560 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.920 -16.116 -5.909 1.00 0.00 H new ATOM 427 N THR A 28 89.647 -12.368 -2.291 1.00 0.00 N ATOM 428 CA THR A 28 90.869 -11.569 -2.253 1.00 0.00 C ATOM 429 C THR A 28 90.624 -10.260 -1.505 1.00 0.00 C ATOM 430 O THR A 28 91.287 -9.253 -1.753 1.00 0.00 O ATOM 431 CB THR A 28 91.337 -11.274 -3.683 1.00 0.00 C ATOM 432 OG1 THR A 28 91.379 -12.488 -4.420 1.00 0.00 O ATOM 433 CG2 THR A 28 92.733 -10.641 -3.666 1.00 0.00 C ATOM 0 H THR A 28 89.790 -13.370 -2.167 1.00 0.00 H new ATOM 0 HA THR A 28 91.642 -12.130 -1.729 1.00 0.00 H new ATOM 0 HB THR A 28 90.640 -10.578 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.676 -12.305 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.052 -10.437 -4.688 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.703 -9.709 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.438 -11.327 -3.196 1.00 0.00 H new ATOM 441 N GLY A 29 89.666 -10.288 -0.586 1.00 0.00 N ATOM 442 CA GLY A 29 89.335 -9.105 0.199 1.00 0.00 C ATOM 443 C GLY A 29 88.023 -9.308 0.953 1.00 0.00 C ATOM 444 O GLY A 29 87.190 -10.121 0.555 1.00 0.00 O ATOM 0 H GLY A 29 89.107 -11.113 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.138 -8.895 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.253 -8.238 -0.457 1.00 0.00 H new ATOM 448 N PRO A 30 87.829 -8.590 2.028 1.00 0.00 N ATOM 449 CA PRO A 30 86.589 -8.699 2.856 1.00 0.00 C ATOM 450 C PRO A 30 85.357 -8.164 2.128 1.00 0.00 C ATOM 451 O PRO A 30 85.472 -7.474 1.114 1.00 0.00 O ATOM 452 CB PRO A 30 86.903 -7.853 4.096 1.00 0.00 C ATOM 453 CG PRO A 30 87.955 -6.888 3.658 1.00 0.00 C ATOM 454 CD PRO A 30 88.766 -7.596 2.574 1.00 0.00 C ATOM 0 HA PRO A 30 86.347 -9.735 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.014 -7.332 4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.258 -8.476 4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.506 -5.973 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.592 -6.602 4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.102 -6.899 1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.657 -8.070 2.986 1.00 0.00 H new ATOM 462 N ASN A 31 84.182 -8.483 2.661 1.00 0.00 N ATOM 463 CA ASN A 31 82.930 -8.028 2.070 1.00 0.00 C ATOM 464 C ASN A 31 82.572 -6.649 2.610 1.00 0.00 C ATOM 465 O ASN A 31 83.093 -6.232 3.643 1.00 0.00 O ATOM 466 CB ASN A 31 81.810 -9.018 2.404 1.00 0.00 C ATOM 467 CG ASN A 31 81.403 -8.875 3.868 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.326 -9.323 4.260 1.00 0.00 O ATOM 469 ND2 ASN A 31 82.205 -8.274 4.704 1.00 0.00 N ATOM 0 H ASN A 31 84.071 -9.054 3.499 1.00 0.00 H new ATOM 0 HA ASN A 31 83.048 -7.969 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.950 -8.837 1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.145 -10.037 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.939 -8.175 5.684 1.00 0.00 H new ATOM 0 HD22 ASN A 31 83.097 -7.903 4.378 1.00 0.00 H new ATOM 476 N LEU A 32 81.681 -5.946 1.916 1.00 0.00 N ATOM 477 CA LEU A 32 81.264 -4.613 2.354 1.00 0.00 C ATOM 478 C LEU A 32 79.780 -4.614 2.718 1.00 0.00 C ATOM 479 O LEU A 32 79.081 -3.622 2.507 1.00 0.00 O ATOM 480 CB LEU A 32 81.510 -3.570 1.253 1.00 0.00 C ATOM 481 CG LEU A 32 82.942 -3.671 0.700 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.246 -2.432 -0.152 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.957 -3.747 1.847 1.00 0.00 C ATOM 0 H LEU A 32 81.237 -6.271 1.057 1.00 0.00 H new ATOM 0 HA LEU A 32 81.857 -4.351 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.794 -3.716 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.341 -2.570 1.652 1.00 0.00 H new ATOM 0 HG LEU A 32 83.020 -4.574 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.260 -2.501 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.539 -2.377 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.155 -1.536 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.965 -3.818 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.878 -2.851 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.751 -4.626 2.458 1.00 0.00 H new ATOM 495 N HIS A 33 79.306 -5.729 3.269 1.00 0.00 N ATOM 496 CA HIS A 33 77.903 -5.840 3.662 1.00 0.00 C ATOM 497 C HIS A 33 77.579 -4.831 4.758 1.00 0.00 C ATOM 498 O HIS A 33 78.395 -4.593 5.648 1.00 0.00 O ATOM 499 CB HIS A 33 77.610 -7.253 4.173 1.00 0.00 C ATOM 500 CG HIS A 33 77.906 -8.259 3.096 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.100 -9.602 3.377 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.042 -8.137 1.735 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.340 -10.230 2.211 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.315 -9.384 1.178 1.00 0.00 N ATOM 0 H HIS A 33 79.866 -6.561 3.452 1.00 0.00 H new ATOM 0 HA HIS A 33 77.284 -5.634 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.215 -7.463 5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.566 -7.330 4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.951 -7.214 1.181 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.530 -11.289 2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.464 -9.604 0.193 1.00 0.00 H new ATOM 513 N GLY A 34 76.386 -4.238 4.691 1.00 0.00 N ATOM 514 CA GLY A 34 75.974 -3.251 5.691 1.00 0.00 C ATOM 515 C GLY A 34 77.170 -2.425 6.152 1.00 0.00 C ATOM 516 O GLY A 34 77.224 -1.960 7.290 1.00 0.00 O ATOM 0 H GLY A 34 75.695 -4.421 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.212 -2.595 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.523 -3.756 6.545 1.00 0.00 H new ATOM 520 N LEU A 35 78.130 -2.264 5.251 1.00 0.00 N ATOM 521 CA LEU A 35 79.341 -1.511 5.544 1.00 0.00 C ATOM 522 C LEU A 35 79.014 -0.206 6.267 1.00 0.00 C ATOM 523 O LEU A 35 79.503 0.053 7.365 1.00 0.00 O ATOM 524 CB LEU A 35 80.063 -1.213 4.221 1.00 0.00 C ATOM 525 CG LEU A 35 81.270 -0.287 4.452 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.524 -1.125 4.709 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.495 0.580 3.210 1.00 0.00 C ATOM 0 H LEU A 35 78.092 -2.647 4.306 1.00 0.00 H new ATOM 0 HA LEU A 35 79.982 -2.102 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.397 -2.146 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.370 -0.746 3.521 1.00 0.00 H new ATOM 0 HG LEU A 35 81.072 0.348 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.376 -0.465 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.372 -1.746 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.719 -1.762 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.350 1.236 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.689 -0.060 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.607 1.183 3.021 1.00 0.00 H new ATOM 539 N PHE A 36 78.194 0.617 5.636 1.00 0.00 N ATOM 540 CA PHE A 36 77.821 1.902 6.216 1.00 0.00 C ATOM 541 C PHE A 36 77.251 1.736 7.624 1.00 0.00 C ATOM 542 O PHE A 36 76.044 1.562 7.793 1.00 0.00 O ATOM 543 CB PHE A 36 76.787 2.596 5.320 1.00 0.00 C ATOM 544 CG PHE A 36 77.246 2.546 3.881 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.046 1.387 3.119 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.880 3.657 3.307 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.478 1.338 1.789 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.312 3.607 1.978 1.00 0.00 C ATOM 549 CZ PHE A 36 78.113 2.447 1.220 1.00 0.00 C ATOM 0 H PHE A 36 77.774 0.423 4.727 1.00 0.00 H new ATOM 0 HA PHE A 36 78.721 2.513 6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.818 2.107 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.656 3.631 5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.558 0.530 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.035 4.552 3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.321 0.445 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.799 4.464 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.450 2.408 0.195 1.00 0.00 H new ATOM 559 N GLY A 37 78.120 1.815 8.636 1.00 0.00 N ATOM 560 CA GLY A 37 77.668 1.696 10.023 1.00 0.00 C ATOM 561 C GLY A 37 78.625 0.875 10.892 1.00 0.00 C ATOM 562 O GLY A 37 78.654 1.045 12.111 1.00 0.00 O ATOM 0 H GLY A 37 79.124 1.958 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.560 2.692 10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.681 1.233 10.040 1.00 0.00 H new ATOM 566 N ARG A 38 79.389 -0.026 10.279 1.00 0.00 N ATOM 567 CA ARG A 38 80.313 -0.868 11.046 1.00 0.00 C ATOM 568 C ARG A 38 81.673 -0.188 11.235 1.00 0.00 C ATOM 569 O ARG A 38 82.070 0.673 10.451 1.00 0.00 O ATOM 570 CB ARG A 38 80.505 -2.217 10.339 1.00 0.00 C ATOM 571 CG ARG A 38 79.589 -3.282 10.962 1.00 0.00 C ATOM 572 CD ARG A 38 79.974 -4.672 10.436 1.00 0.00 C ATOM 573 NE ARG A 38 79.165 -5.015 9.271 1.00 0.00 N ATOM 574 CZ ARG A 38 79.593 -5.889 8.360 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.765 -6.451 8.486 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.838 -6.185 7.340 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.391 -0.193 9.273 1.00 0.00 H new ATOM 0 HA ARG A 38 79.875 -1.027 12.031 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.283 -2.113 9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.546 -2.532 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.675 -3.258 12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.548 -3.067 10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.031 -4.688 10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.831 -5.417 11.219 1.00 0.00 H new ATOM 0 HE ARG A 38 78.252 -4.576 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.357 -6.222 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.088 -7.119 7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.922 -5.748 7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.163 -6.853 6.642 1.00 0.00 H new ATOM 590 N LYS A 39 82.375 -0.592 12.296 1.00 0.00 N ATOM 591 CA LYS A 39 83.689 -0.032 12.617 1.00 0.00 C ATOM 592 C LYS A 39 84.784 -0.642 11.735 1.00 0.00 C ATOM 593 O LYS A 39 84.644 -1.759 11.237 1.00 0.00 O ATOM 594 CB LYS A 39 83.995 -0.299 14.096 1.00 0.00 C ATOM 595 CG LYS A 39 85.221 0.506 14.554 1.00 0.00 C ATOM 596 CD LYS A 39 84.816 1.943 14.916 1.00 0.00 C ATOM 597 CE LYS A 39 83.930 1.947 16.169 1.00 0.00 C ATOM 598 NZ LYS A 39 84.191 3.188 16.953 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.054 -1.307 12.949 1.00 0.00 H new ATOM 0 HA LYS A 39 83.671 1.041 12.426 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.131 -0.032 14.705 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.176 -1.363 14.248 1.00 0.00 H new ATOM 0 HG2 LYS A 39 85.679 0.023 15.417 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.970 0.521 13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.707 2.546 15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.281 2.398 14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.879 1.897 15.885 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.138 1.068 16.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.592 3.194 17.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.192 3.217 17.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 83.972 4.020 16.369 1.00 0.00 H new ATOM 612 N THR A 40 85.870 0.109 11.544 1.00 0.00 N ATOM 613 CA THR A 40 86.987 -0.349 10.721 1.00 0.00 C ATOM 614 C THR A 40 87.485 -1.723 11.159 1.00 0.00 C ATOM 615 O THR A 40 87.549 -2.025 12.350 1.00 0.00 O ATOM 616 CB THR A 40 88.140 0.658 10.801 1.00 0.00 C ATOM 617 OG1 THR A 40 88.350 1.032 12.156 1.00 0.00 O ATOM 618 CG2 THR A 40 87.801 1.899 9.975 1.00 0.00 C ATOM 0 H THR A 40 85.998 1.037 11.949 1.00 0.00 H new ATOM 0 HA THR A 40 86.630 -0.428 9.694 1.00 0.00 H new ATOM 0 HB THR A 40 89.046 0.200 10.405 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.295 1.252 12.292 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.623 2.612 10.035 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.644 1.612 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.893 2.359 10.365 1.00 0.00 H new ATOM 626 N GLY A 41 87.854 -2.544 10.177 1.00 0.00 N ATOM 627 CA GLY A 41 88.368 -3.881 10.451 1.00 0.00 C ATOM 628 C GLY A 41 87.529 -4.605 11.495 1.00 0.00 C ATOM 629 O GLY A 41 88.059 -5.129 12.474 1.00 0.00 O ATOM 0 H GLY A 41 87.806 -2.305 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.381 -4.462 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.399 -3.810 10.798 1.00 0.00 H new ATOM 633 N GLN A 42 86.218 -4.631 11.284 1.00 0.00 N ATOM 634 CA GLN A 42 85.314 -5.298 12.222 1.00 0.00 C ATOM 635 C GLN A 42 84.659 -6.515 11.573 1.00 0.00 C ATOM 636 O GLN A 42 84.161 -7.403 12.263 1.00 0.00 O ATOM 637 CB GLN A 42 84.233 -4.315 12.688 1.00 0.00 C ATOM 638 CG GLN A 42 83.560 -4.837 13.963 1.00 0.00 C ATOM 639 CD GLN A 42 82.558 -5.933 13.619 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.583 -7.008 14.221 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.674 -5.728 12.683 1.00 0.00 N ATOM 0 H GLN A 42 85.758 -4.203 10.481 1.00 0.00 H new ATOM 0 HA GLN A 42 85.895 -5.635 13.080 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.676 -3.337 12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.489 -4.182 11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 42 84.314 -5.225 14.648 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.054 -4.020 14.476 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.655 -4.838 12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.002 -6.458 12.448 1.00 0.00 H new ATOM 650 N ALA A 43 84.666 -6.556 10.244 1.00 0.00 N ATOM 651 CA ALA A 43 84.070 -7.676 9.528 1.00 0.00 C ATOM 652 C ALA A 43 84.846 -8.968 9.817 1.00 0.00 C ATOM 653 O ALA A 43 86.053 -9.032 9.585 1.00 0.00 O ATOM 654 CB ALA A 43 84.081 -7.391 8.020 1.00 0.00 C ATOM 0 H ALA A 43 85.073 -5.835 9.648 1.00 0.00 H new ATOM 0 HA ALA A 43 83.041 -7.802 9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 43 83.634 -8.231 7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.508 -6.486 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.108 -7.253 7.683 1.00 0.00 H new ATOM 660 N PRO A 44 84.190 -9.991 10.314 1.00 0.00 N ATOM 661 CA PRO A 44 84.854 -11.289 10.626 1.00 0.00 C ATOM 662 C PRO A 44 85.086 -12.130 9.373 1.00 0.00 C ATOM 663 O PRO A 44 84.143 -12.461 8.654 1.00 0.00 O ATOM 664 CB PRO A 44 83.864 -11.972 11.569 1.00 0.00 C ATOM 665 CG PRO A 44 82.525 -11.455 11.157 1.00 0.00 C ATOM 666 CD PRO A 44 82.749 -10.032 10.634 1.00 0.00 C ATOM 0 HA PRO A 44 85.845 -11.155 11.061 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.914 -13.057 11.477 1.00 0.00 H new ATOM 0 HB3 PRO A 44 84.078 -11.730 12.610 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.086 -12.087 10.385 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.834 -11.454 12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.139 -9.830 9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.485 -9.285 11.383 1.00 0.00 H new ATOM 674 N GLY A 45 86.345 -12.475 9.116 1.00 0.00 N ATOM 675 CA GLY A 45 86.679 -13.280 7.947 1.00 0.00 C ATOM 676 C GLY A 45 88.124 -13.051 7.515 1.00 0.00 C ATOM 677 O GLY A 45 89.022 -13.806 7.889 1.00 0.00 O ATOM 0 H GLY A 45 87.142 -12.213 9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.527 -14.335 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 45 86.007 -13.030 7.126 1.00 0.00 H new ATOM 681 N PHE A 46 88.340 -12.007 6.723 1.00 0.00 N ATOM 682 CA PHE A 46 89.679 -11.688 6.240 1.00 0.00 C ATOM 683 C PHE A 46 90.552 -11.160 7.374 1.00 0.00 C ATOM 684 O PHE A 46 90.049 -10.618 8.357 1.00 0.00 O ATOM 685 CB PHE A 46 89.593 -10.642 5.129 1.00 0.00 C ATOM 686 CG PHE A 46 90.982 -10.317 4.635 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.547 -11.064 3.595 1.00 0.00 C ATOM 688 CD2 PHE A 46 91.705 -9.270 5.219 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.835 -10.763 3.137 1.00 0.00 C ATOM 690 CE2 PHE A 46 92.993 -8.970 4.761 1.00 0.00 C ATOM 691 CZ PHE A 46 93.558 -9.715 3.721 1.00 0.00 C ATOM 0 H PHE A 46 87.610 -11.370 6.403 1.00 0.00 H new ATOM 0 HA PHE A 46 90.130 -12.600 5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.982 -11.017 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.107 -9.740 5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 46 90.989 -11.873 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 46 91.269 -8.694 6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 46 93.271 -11.338 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 46 93.551 -8.162 5.211 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.552 -9.482 3.368 1.00 0.00 H new ATOM 701 N THR A 47 91.863 -11.321 7.225 1.00 0.00 N ATOM 702 CA THR A 47 92.801 -10.856 8.241 1.00 0.00 C ATOM 703 C THR A 47 93.008 -9.348 8.129 1.00 0.00 C ATOM 704 O THR A 47 93.959 -8.886 7.499 1.00 0.00 O ATOM 705 CB THR A 47 94.145 -11.569 8.078 1.00 0.00 C ATOM 706 OG1 THR A 47 93.935 -12.974 8.052 1.00 0.00 O ATOM 707 CG2 THR A 47 95.061 -11.209 9.249 1.00 0.00 C ATOM 0 H THR A 47 92.298 -11.766 6.417 1.00 0.00 H new ATOM 0 HA THR A 47 92.385 -11.084 9.223 1.00 0.00 H new ATOM 0 HB THR A 47 94.612 -11.255 7.145 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.795 -13.431 7.946 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.018 -11.717 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.222 -10.131 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.596 -11.522 10.184 1.00 0.00 H new ATOM 715 N TYR A 48 92.109 -8.589 8.744 1.00 0.00 N ATOM 716 CA TYR A 48 92.197 -7.133 8.710 1.00 0.00 C ATOM 717 C TYR A 48 93.530 -6.662 9.280 1.00 0.00 C ATOM 718 O TYR A 48 94.131 -7.334 10.119 1.00 0.00 O ATOM 719 CB TYR A 48 91.046 -6.524 9.518 1.00 0.00 C ATOM 720 CG TYR A 48 89.861 -6.288 8.617 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.900 -5.254 7.676 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.722 -7.096 8.725 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.803 -5.024 6.844 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.622 -6.865 7.892 1.00 0.00 C ATOM 725 CZ TYR A 48 87.662 -5.830 6.951 1.00 0.00 C ATOM 726 OH TYR A 48 86.576 -5.600 6.133 1.00 0.00 O ATOM 0 H TYR A 48 91.315 -8.954 9.270 1.00 0.00 H new ATOM 0 HA TYR A 48 92.126 -6.806 7.673 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.768 -7.192 10.333 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.364 -5.585 9.970 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.780 -4.633 7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.693 -7.896 9.450 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.834 -4.225 6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.742 -7.485 7.975 1.00 0.00 H new ATOM 0 HH TYR A 48 85.790 -5.396 6.682 1.00 0.00 H new ATOM 736 N THR A 49 93.981 -5.500 8.823 1.00 0.00 N ATOM 737 CA THR A 49 95.242 -4.943 9.297 1.00 0.00 C ATOM 738 C THR A 49 95.054 -4.293 10.664 1.00 0.00 C ATOM 739 O THR A 49 93.937 -3.951 11.049 1.00 0.00 O ATOM 740 CB THR A 49 95.760 -3.904 8.299 1.00 0.00 C ATOM 741 OG1 THR A 49 94.809 -2.857 8.172 1.00 0.00 O ATOM 742 CG2 THR A 49 95.978 -4.566 6.937 1.00 0.00 C ATOM 0 H THR A 49 93.497 -4.929 8.130 1.00 0.00 H new ATOM 0 HA THR A 49 95.968 -5.751 9.387 1.00 0.00 H new ATOM 0 HB THR A 49 96.705 -3.496 8.657 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.275 -1.996 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.347 -3.825 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.708 -5.369 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.034 -4.976 6.576 1.00 0.00 H new ATOM 750 N ASP A 50 96.153 -4.124 11.394 1.00 0.00 N ATOM 751 CA ASP A 50 96.091 -3.513 12.718 1.00 0.00 C ATOM 752 C ASP A 50 95.476 -2.121 12.638 1.00 0.00 C ATOM 753 O ASP A 50 94.652 -1.748 13.474 1.00 0.00 O ATOM 754 CB ASP A 50 97.494 -3.423 13.318 1.00 0.00 C ATOM 755 CG ASP A 50 98.250 -4.724 13.078 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.156 -5.605 13.918 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 98.912 -4.823 12.057 1.00 0.00 O ATOM 0 H ASP A 50 97.089 -4.399 11.095 1.00 0.00 H new ATOM 0 HA ASP A 50 95.464 -4.136 13.356 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.037 -2.590 12.871 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.429 -3.223 14.388 1.00 0.00 H new ATOM 762 N ALA A 51 95.880 -1.357 11.631 1.00 0.00 N ATOM 763 CA ALA A 51 95.359 -0.007 11.453 1.00 0.00 C ATOM 764 C ALA A 51 93.843 -0.036 11.307 1.00 0.00 C ATOM 765 O ALA A 51 93.146 0.846 11.806 1.00 0.00 O ATOM 766 CB ALA A 51 95.983 0.633 10.215 1.00 0.00 C ATOM 0 H ALA A 51 96.562 -1.646 10.930 1.00 0.00 H new ATOM 0 HA ALA A 51 95.616 0.583 12.333 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.589 1.641 10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.065 0.679 10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.741 0.036 9.336 1.00 0.00 H new ATOM 772 N ASN A 52 93.339 -1.054 10.621 1.00 0.00 N ATOM 773 CA ASN A 52 91.901 -1.195 10.418 1.00 0.00 C ATOM 774 C ASN A 52 91.256 -1.820 11.653 1.00 0.00 C ATOM 775 O ASN A 52 90.082 -1.587 11.943 1.00 0.00 O ATOM 776 CB ASN A 52 91.639 -2.073 9.184 1.00 0.00 C ATOM 777 CG ASN A 52 91.090 -1.234 8.032 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.348 -0.033 7.955 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.344 -1.804 7.126 1.00 0.00 N ATOM 0 H ASN A 52 93.901 -1.792 10.197 1.00 0.00 H new ATOM 0 HA ASN A 52 91.463 -0.210 10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.563 -2.562 8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.930 -2.862 9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.973 -1.254 6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.132 -2.799 7.192 1.00 0.00 H new ATOM 786 N LYS A 53 92.039 -2.607 12.379 1.00 0.00 N ATOM 787 CA LYS A 53 91.555 -3.263 13.585 1.00 0.00 C ATOM 788 C LYS A 53 91.694 -2.310 14.765 1.00 0.00 C ATOM 789 O LYS A 53 91.165 -2.558 15.849 1.00 0.00 O ATOM 790 CB LYS A 53 92.358 -4.557 13.816 1.00 0.00 C ATOM 791 CG LYS A 53 92.662 -4.761 15.306 1.00 0.00 C ATOM 792 CD LYS A 53 93.389 -6.093 15.498 1.00 0.00 C ATOM 793 CE LYS A 53 93.315 -6.510 16.968 1.00 0.00 C ATOM 794 NZ LYS A 53 94.067 -7.782 17.162 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.013 -2.806 12.153 1.00 0.00 H new ATOM 0 HA LYS A 53 90.503 -3.526 13.478 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.796 -5.410 13.436 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.291 -4.515 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.277 -3.942 15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.737 -4.753 15.882 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.937 -6.860 14.869 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.430 -5.999 15.188 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.734 -5.727 17.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.275 -6.640 17.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.017 -8.066 18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.648 -8.527 16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.061 -7.642 16.891 1.00 0.00 H new ATOM 808 N ASN A 54 92.406 -1.215 14.537 1.00 0.00 N ATOM 809 CA ASN A 54 92.611 -0.222 15.578 1.00 0.00 C ATOM 810 C ASN A 54 91.286 0.423 15.955 1.00 0.00 C ATOM 811 O ASN A 54 91.151 1.023 17.021 1.00 0.00 O ATOM 812 CB ASN A 54 93.578 0.850 15.076 1.00 0.00 C ATOM 813 CG ASN A 54 92.826 1.940 14.313 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.151 3.121 14.439 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.838 1.613 13.528 1.00 0.00 N ATOM 0 H ASN A 54 92.849 -0.994 13.645 1.00 0.00 H new ATOM 0 HA ASN A 54 93.030 -0.710 16.458 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.110 1.290 15.919 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.328 0.396 14.428 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.332 2.336 13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.571 0.634 13.425 1.00 0.00 H new ATOM 822 N LYS A 55 90.315 0.291 15.064 1.00 0.00 N ATOM 823 CA LYS A 55 88.990 0.860 15.301 1.00 0.00 C ATOM 824 C LYS A 55 89.095 2.361 15.550 1.00 0.00 C ATOM 825 O LYS A 55 88.792 2.840 16.643 1.00 0.00 O ATOM 826 CB LYS A 55 88.338 0.186 16.511 1.00 0.00 C ATOM 827 CG LYS A 55 88.034 -1.277 16.180 1.00 0.00 C ATOM 828 CD LYS A 55 87.122 -1.867 17.259 1.00 0.00 C ATOM 829 CE LYS A 55 87.838 -1.835 18.614 1.00 0.00 C ATOM 830 NZ LYS A 55 87.684 -0.485 19.226 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.414 -0.201 14.176 1.00 0.00 H new ATOM 0 HA LYS A 55 88.376 0.687 14.417 1.00 0.00 H new ATOM 0 HB2 LYS A 55 89.001 0.244 17.374 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.419 0.707 16.780 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.553 -1.348 15.204 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.961 -1.847 16.121 1.00 0.00 H new ATOM 0 HD2 LYS A 55 86.193 -1.299 17.314 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.854 -2.892 17.002 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.422 -2.595 19.275 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.895 -2.069 18.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.579 0.038 19.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.931 0.036 18.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 87.435 -0.586 20.231 1.00 0.00 H new ATOM 844 N GLY A 56 89.535 3.098 14.535 1.00 0.00 N ATOM 845 CA GLY A 56 89.687 4.544 14.662 1.00 0.00 C ATOM 846 C GLY A 56 88.412 5.279 14.258 1.00 0.00 C ATOM 847 O GLY A 56 88.055 6.292 14.862 1.00 0.00 O ATOM 0 H GLY A 56 89.791 2.722 13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.942 4.795 15.692 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.515 4.880 14.038 1.00 0.00 H new ATOM 851 N ILE A 57 87.732 4.773 13.235 1.00 0.00 N ATOM 852 CA ILE A 57 86.501 5.404 12.763 1.00 0.00 C ATOM 853 C ILE A 57 85.507 4.358 12.278 1.00 0.00 C ATOM 854 O ILE A 57 85.773 3.156 12.340 1.00 0.00 O ATOM 855 CB ILE A 57 86.819 6.379 11.625 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.392 5.610 10.419 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.848 7.402 12.113 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.269 5.218 9.449 1.00 0.00 C ATOM 0 H ILE A 57 88.007 3.937 12.720 1.00 0.00 H new ATOM 0 HA ILE A 57 86.054 5.948 13.595 1.00 0.00 H new ATOM 0 HB ILE A 57 85.905 6.889 11.320 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.128 6.227 9.903 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.911 4.716 10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.079 8.099 11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.441 7.951 12.962 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.758 6.886 12.418 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.692 4.676 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.549 4.583 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.768 6.117 9.090 1.00 0.00 H new ATOM 870 N THR A 58 84.357 4.823 11.795 1.00 0.00 N ATOM 871 CA THR A 58 83.318 3.923 11.300 1.00 0.00 C ATOM 872 C THR A 58 82.987 4.232 9.843 1.00 0.00 C ATOM 873 O THR A 58 82.927 5.395 9.442 1.00 0.00 O ATOM 874 CB THR A 58 82.056 4.064 12.161 1.00 0.00 C ATOM 875 OG1 THR A 58 82.230 3.338 13.371 1.00 0.00 O ATOM 876 CG2 THR A 58 80.840 3.515 11.407 1.00 0.00 C ATOM 0 H THR A 58 84.122 5.814 11.736 1.00 0.00 H new ATOM 0 HA THR A 58 83.687 2.899 11.362 1.00 0.00 H new ATOM 0 HB THR A 58 81.890 5.118 12.383 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.426 3.427 13.925 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.950 3.620 12.027 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.704 4.072 10.480 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.000 2.462 11.177 1.00 0.00 H new ATOM 884 N TRP A 59 82.764 3.181 9.059 1.00 0.00 N ATOM 885 CA TRP A 59 82.431 3.353 7.651 1.00 0.00 C ATOM 886 C TRP A 59 81.108 4.098 7.511 1.00 0.00 C ATOM 887 O TRP A 59 80.143 3.811 8.219 1.00 0.00 O ATOM 888 CB TRP A 59 82.318 1.992 6.956 1.00 0.00 C ATOM 889 CG TRP A 59 83.435 1.095 7.394 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.727 1.469 7.522 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.382 -0.319 7.758 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.470 0.377 7.936 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.684 -0.745 8.104 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.344 -1.262 7.823 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.944 -2.058 8.502 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.603 -2.585 8.219 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.900 -2.980 8.560 1.00 0.00 C ATOM 0 H TRP A 59 82.807 2.211 9.372 1.00 0.00 H new ATOM 0 HA TRP A 59 83.227 3.931 7.181 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.358 1.533 7.193 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.350 2.124 5.874 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.116 2.458 7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.477 0.399 8.097 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.337 -0.968 7.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.948 -2.357 8.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.795 -3.301 8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.093 -3.997 8.868 1.00 0.00 H new ATOM 908 N LYS A 60 81.072 5.052 6.591 1.00 0.00 N ATOM 909 CA LYS A 60 79.867 5.835 6.352 1.00 0.00 C ATOM 910 C LYS A 60 79.838 6.303 4.901 1.00 0.00 C ATOM 911 O LYS A 60 80.579 5.787 4.070 1.00 0.00 O ATOM 912 CB LYS A 60 79.827 7.042 7.296 1.00 0.00 C ATOM 913 CG LYS A 60 79.685 6.554 8.742 1.00 0.00 C ATOM 914 CD LYS A 60 79.239 7.712 9.640 1.00 0.00 C ATOM 915 CE LYS A 60 80.412 8.666 9.870 1.00 0.00 C ATOM 916 NZ LYS A 60 80.028 9.690 10.884 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.863 5.303 5.998 1.00 0.00 H new ATOM 0 HA LYS A 60 78.993 5.213 6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.737 7.632 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.992 7.693 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.959 5.743 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.635 6.153 9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.409 8.246 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.878 7.327 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.285 8.110 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.689 9.151 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.825 10.339 11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.206 10.227 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.784 9.219 11.778 1.00 0.00 H new ATOM 930 N GLU A 61 78.980 7.269 4.596 1.00 0.00 N ATOM 931 CA GLU A 61 78.881 7.771 3.231 1.00 0.00 C ATOM 932 C GLU A 61 80.050 8.697 2.902 1.00 0.00 C ATOM 933 O GLU A 61 80.807 8.444 1.964 1.00 0.00 O ATOM 934 CB GLU A 61 77.563 8.525 3.045 1.00 0.00 C ATOM 935 CG GLU A 61 77.294 8.728 1.553 1.00 0.00 C ATOM 936 CD GLU A 61 75.934 9.387 1.352 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.824 10.570 1.625 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.021 8.696 0.928 1.00 0.00 O1- ATOM 0 H GLU A 61 78.351 7.715 5.264 1.00 0.00 H new ATOM 0 HA GLU A 61 78.913 6.918 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.745 7.966 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.610 9.489 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.076 9.349 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.322 7.769 1.036 1.00 0.00 H new ATOM 945 N GLU A 62 80.193 9.770 3.674 1.00 0.00 N ATOM 946 CA GLU A 62 81.273 10.724 3.438 1.00 0.00 C ATOM 947 C GLU A 62 82.624 10.121 3.810 1.00 0.00 C ATOM 948 O GLU A 62 83.630 10.384 3.152 1.00 0.00 O ATOM 949 CB GLU A 62 81.027 12.010 4.238 1.00 0.00 C ATOM 950 CG GLU A 62 81.370 11.786 5.718 1.00 0.00 C ATOM 951 CD GLU A 62 82.865 11.993 5.951 1.00 0.00 C ATOM 952 OE1 GLU A 62 83.423 12.889 5.340 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 83.430 11.252 6.739 1.00 0.00 O ATOM 0 H GLU A 62 79.583 10.000 4.459 1.00 0.00 H new ATOM 0 HA GLU A 62 81.289 10.965 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.635 12.820 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 62 79.985 12.314 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.799 12.476 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 62 81.084 10.777 6.016 1.00 0.00 H new ATOM 960 N THR A 63 82.645 9.304 4.857 1.00 0.00 N ATOM 961 CA THR A 63 83.887 8.670 5.280 1.00 0.00 C ATOM 962 C THR A 63 84.436 7.823 4.146 1.00 0.00 C ATOM 963 O THR A 63 85.646 7.753 3.932 1.00 0.00 O ATOM 964 CB THR A 63 83.644 7.782 6.500 1.00 0.00 C ATOM 965 OG1 THR A 63 82.694 6.780 6.171 1.00 0.00 O ATOM 966 CG2 THR A 63 83.116 8.627 7.654 1.00 0.00 C ATOM 0 H THR A 63 81.829 9.068 5.421 1.00 0.00 H new ATOM 0 HA THR A 63 84.604 9.447 5.544 1.00 0.00 H new ATOM 0 HB THR A 63 84.581 7.312 6.799 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.134 6.066 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.944 7.991 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.847 9.395 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.179 9.100 7.360 1.00 0.00 H new ATOM 974 N LEU A 64 83.528 7.182 3.421 1.00 0.00 N ATOM 975 CA LEU A 64 83.920 6.339 2.303 1.00 0.00 C ATOM 976 C LEU A 64 84.506 7.192 1.180 1.00 0.00 C ATOM 977 O LEU A 64 85.438 6.772 0.498 1.00 0.00 O ATOM 978 CB LEU A 64 82.705 5.558 1.781 1.00 0.00 C ATOM 979 CG LEU A 64 82.828 4.070 2.141 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.503 3.365 1.824 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.960 3.426 1.322 1.00 0.00 C ATOM 0 H LEU A 64 82.523 7.230 3.587 1.00 0.00 H new ATOM 0 HA LEU A 64 84.678 5.634 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.790 5.968 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.629 5.672 0.700 1.00 0.00 H new ATOM 0 HG LEU A 64 83.055 3.971 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.584 2.308 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.701 3.818 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.281 3.468 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.042 2.371 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.740 3.522 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.901 3.929 1.544 1.00 0.00 H new ATOM 993 N MET A 65 83.949 8.387 0.987 1.00 0.00 N ATOM 994 CA MET A 65 84.431 9.276 -0.069 1.00 0.00 C ATOM 995 C MET A 65 85.915 9.579 0.102 1.00 0.00 C ATOM 996 O MET A 65 86.716 9.328 -0.799 1.00 0.00 O ATOM 997 CB MET A 65 83.649 10.591 -0.053 1.00 0.00 C ATOM 998 CG MET A 65 82.172 10.310 -0.319 1.00 0.00 C ATOM 999 SD MET A 65 81.216 11.829 -0.073 1.00 0.00 S ATOM 1000 CE MET A 65 80.883 12.176 -1.815 1.00 0.00 C ATOM 0 H MET A 65 83.175 8.758 1.539 1.00 0.00 H new ATOM 0 HA MET A 65 84.281 8.768 -1.022 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.768 11.085 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.043 11.270 -0.810 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.038 9.944 -1.337 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.813 9.529 0.351 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.294 13.089 -1.898 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.826 12.303 -2.347 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.329 11.345 -2.252 1.00 0.00 H new ATOM 1010 N GLU A 66 86.278 10.117 1.260 1.00 0.00 N ATOM 1011 CA GLU A 66 87.672 10.445 1.527 1.00 0.00 C ATOM 1012 C GLU A 66 88.524 9.182 1.469 1.00 0.00 C ATOM 1013 O GLU A 66 89.704 9.228 1.122 1.00 0.00 O ATOM 1014 CB GLU A 66 87.801 11.093 2.906 1.00 0.00 C ATOM 1015 CG GLU A 66 87.028 12.414 2.924 1.00 0.00 C ATOM 1016 CD GLU A 66 87.713 13.431 2.017 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.912 13.605 2.154 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.028 14.021 1.198 1.00 0.00 O ATOM 0 H GLU A 66 85.634 10.333 2.021 1.00 0.00 H new ATOM 0 HA GLU A 66 88.021 11.146 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.413 10.422 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.851 11.271 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.003 12.250 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.975 12.800 3.942 1.00 0.00 H new ATOM 1025 N TYR A 67 87.908 8.058 1.809 1.00 0.00 N ATOM 1026 CA TYR A 67 88.599 6.775 1.793 1.00 0.00 C ATOM 1027 C TYR A 67 88.717 6.254 0.363 1.00 0.00 C ATOM 1028 O TYR A 67 89.642 5.512 0.035 1.00 0.00 O ATOM 1029 CB TYR A 67 87.830 5.773 2.658 1.00 0.00 C ATOM 1030 CG TYR A 67 88.334 4.369 2.414 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.810 3.613 1.359 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.315 3.822 3.249 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.269 2.309 1.137 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.773 2.517 3.028 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.250 1.761 1.972 1.00 0.00 C ATOM 1036 OH TYR A 67 89.702 0.475 1.754 1.00 0.00 O ATOM 0 H TYR A 67 86.931 8.008 2.099 1.00 0.00 H new ATOM 0 HA TYR A 67 89.604 6.904 2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.945 6.029 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.765 5.829 2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.052 4.035 0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.719 4.406 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.866 1.726 0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.530 2.094 3.672 1.00 0.00 H new ATOM 0 HH TYR A 67 89.841 0.335 0.794 1.00 0.00 H new ATOM 1046 N LEU A 68 87.770 6.650 -0.481 1.00 0.00 N ATOM 1047 CA LEU A 68 87.766 6.220 -1.874 1.00 0.00 C ATOM 1048 C LEU A 68 88.765 7.035 -2.690 1.00 0.00 C ATOM 1049 O LEU A 68 89.221 6.597 -3.747 1.00 0.00 O ATOM 1050 CB LEU A 68 86.359 6.388 -2.471 1.00 0.00 C ATOM 1051 CG LEU A 68 85.484 5.171 -2.137 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.084 5.373 -2.713 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.079 3.902 -2.746 1.00 0.00 C ATOM 0 H LEU A 68 86.998 7.266 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 68 88.054 5.169 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.897 7.294 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.428 6.508 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 68 85.438 5.068 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.464 4.508 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.638 6.269 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.149 5.486 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.447 3.049 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.136 4.010 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.079 3.740 -2.344 1.00 0.00 H new ATOM 1065 N GLU A 69 89.099 8.222 -2.196 1.00 0.00 N ATOM 1066 CA GLU A 69 90.040 9.093 -2.884 1.00 0.00 C ATOM 1067 C GLU A 69 91.467 8.799 -2.418 1.00 0.00 C ATOM 1068 O GLU A 69 92.437 9.235 -3.037 1.00 0.00 O ATOM 1069 CB GLU A 69 89.668 10.555 -2.598 1.00 0.00 C ATOM 1070 CG GLU A 69 90.904 11.447 -2.700 1.00 0.00 C ATOM 1071 CD GLU A 69 90.486 12.912 -2.767 1.00 0.00 C ATOM 1072 OE1 GLU A 69 90.062 13.434 -1.748 1.00 0.00 O ATOM 1073 OE2 GLU A 69 90.595 13.490 -3.835 1.00 0.00 O1- ATOM 0 H GLU A 69 88.732 8.601 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 69 89.991 8.913 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.910 10.890 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.232 10.638 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 69 91.552 11.284 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.480 11.184 -3.587 1.00 0.00 H new ATOM 1080 N ASN A 70 91.581 8.053 -1.326 1.00 0.00 N ATOM 1081 CA ASN A 70 92.891 7.704 -0.785 1.00 0.00 C ATOM 1082 C ASN A 70 92.740 6.697 0.355 1.00 0.00 C ATOM 1083 O ASN A 70 92.967 7.019 1.522 1.00 0.00 O ATOM 1084 CB ASN A 70 93.599 8.969 -0.285 1.00 0.00 C ATOM 1085 CG ASN A 70 95.112 8.802 -0.390 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.804 9.699 -0.873 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.671 7.703 0.036 1.00 0.00 N ATOM 0 H ASN A 70 90.790 7.680 -0.801 1.00 0.00 H new ATOM 0 HA ASN A 70 93.491 7.249 -1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.279 9.830 -0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.318 9.167 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.682 7.586 -0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.097 6.961 0.436 1.00 0.00 H new ATOM 1094 N PRO A 71 92.353 5.494 0.028 1.00 0.00 N ATOM 1095 CA PRO A 71 92.148 4.402 1.028 1.00 0.00 C ATOM 1096 C PRO A 71 93.325 4.245 1.992 1.00 0.00 C ATOM 1097 O PRO A 71 93.138 3.927 3.166 1.00 0.00 O ATOM 1098 CB PRO A 71 91.993 3.148 0.162 1.00 0.00 C ATOM 1099 CG PRO A 71 91.498 3.634 -1.160 1.00 0.00 C ATOM 1100 CD PRO A 71 92.065 5.043 -1.343 1.00 0.00 C ATOM 0 HA PRO A 71 91.291 4.605 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.943 2.624 0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.290 2.446 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.827 2.976 -1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.408 3.648 -1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.965 5.034 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.349 5.700 -1.837 1.00 0.00 H new ATOM 1108 N LYS A 72 94.535 4.445 1.483 1.00 0.00 N ATOM 1109 CA LYS A 72 95.733 4.296 2.303 1.00 0.00 C ATOM 1110 C LYS A 72 95.922 5.472 3.257 1.00 0.00 C ATOM 1111 O LYS A 72 96.197 5.282 4.442 1.00 0.00 O ATOM 1112 CB LYS A 72 96.963 4.181 1.400 1.00 0.00 C ATOM 1113 CG LYS A 72 98.206 3.861 2.250 1.00 0.00 C ATOM 1114 CD LYS A 72 98.776 2.492 1.857 1.00 0.00 C ATOM 1115 CE LYS A 72 97.844 1.379 2.349 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.593 1.547 3.809 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.713 4.709 0.514 1.00 0.00 H new ATOM 0 HA LYS A 72 95.612 3.392 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.808 3.399 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.114 5.113 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.962 4.633 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.943 3.864 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.889 2.432 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.769 2.364 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.902 1.411 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.292 0.404 2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.213 0.661 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.485 1.783 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.906 2.314 3.957 1.00 0.00 H new ATOM 1130 N LYS A 73 95.800 6.686 2.734 1.00 0.00 N ATOM 1131 CA LYS A 73 95.988 7.879 3.552 1.00 0.00 C ATOM 1132 C LYS A 73 94.925 7.986 4.643 1.00 0.00 C ATOM 1133 O LYS A 73 95.176 8.556 5.706 1.00 0.00 O ATOM 1134 CB LYS A 73 95.940 9.134 2.675 1.00 0.00 C ATOM 1135 CG LYS A 73 96.451 10.347 3.471 1.00 0.00 C ATOM 1136 CD LYS A 73 95.444 11.501 3.377 1.00 0.00 C ATOM 1137 CE LYS A 73 95.174 11.845 1.905 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.075 13.324 1.753 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.574 6.870 1.757 1.00 0.00 H new ATOM 0 HA LYS A 73 96.964 7.797 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.550 8.989 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.919 9.313 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.602 10.070 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.418 10.665 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 73 94.513 11.223 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 73 95.832 12.376 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.975 11.456 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.250 11.371 1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.892 13.559 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 94.296 13.682 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.968 13.764 2.054 1.00 0.00 H new ATOM 1152 N TYR A 74 93.738 7.452 4.378 1.00 0.00 N ATOM 1153 CA TYR A 74 92.654 7.518 5.354 1.00 0.00 C ATOM 1154 C TYR A 74 92.994 6.695 6.593 1.00 0.00 C ATOM 1155 O TYR A 74 93.010 7.217 7.709 1.00 0.00 O ATOM 1156 CB TYR A 74 91.350 7.010 4.726 1.00 0.00 C ATOM 1157 CG TYR A 74 90.177 7.785 5.289 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.088 9.167 5.076 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.186 7.125 6.026 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.007 9.886 5.600 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.107 7.846 6.548 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.017 9.226 6.336 1.00 0.00 C ATOM 1163 OH TYR A 74 86.952 9.936 6.853 1.00 0.00 O ATOM 0 H TYR A 74 93.502 6.974 3.508 1.00 0.00 H new ATOM 0 HA TYR A 74 92.523 8.557 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.388 7.125 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.227 5.946 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.852 9.677 4.508 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.255 6.060 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.937 10.951 5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.342 7.337 7.116 1.00 0.00 H new ATOM 0 HH TYR A 74 86.356 9.326 7.336 1.00 0.00 H new ATOM 1173 N ILE A 75 93.267 5.411 6.391 1.00 0.00 N ATOM 1174 CA ILE A 75 93.609 4.521 7.498 1.00 0.00 C ATOM 1175 C ILE A 75 94.920 3.795 7.202 1.00 0.00 C ATOM 1176 O ILE A 75 94.930 2.594 6.937 1.00 0.00 O ATOM 1177 CB ILE A 75 92.486 3.500 7.715 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.158 4.239 7.910 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.787 2.657 8.959 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.993 3.267 7.713 1.00 0.00 C ATOM 0 H ILE A 75 93.259 4.963 5.475 1.00 0.00 H new ATOM 0 HA ILE A 75 93.730 5.116 8.403 1.00 0.00 H new ATOM 0 HB ILE A 75 92.418 2.847 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.116 4.674 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.081 5.062 7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.987 1.933 9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.732 2.131 8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.857 3.307 9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.050 3.796 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.031 2.853 6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.067 2.459 8.441 1.00 0.00 H new ATOM 1192 N PRO A 76 96.020 4.507 7.237 1.00 0.00 N ATOM 1193 CA PRO A 76 97.366 3.931 6.962 1.00 0.00 C ATOM 1194 C PRO A 76 97.537 2.548 7.582 1.00 0.00 C ATOM 1195 O PRO A 76 97.326 2.363 8.779 1.00 0.00 O ATOM 1196 CB PRO A 76 98.316 4.946 7.595 1.00 0.00 C ATOM 1197 CG PRO A 76 97.604 6.256 7.490 1.00 0.00 C ATOM 1198 CD PRO A 76 96.102 5.945 7.547 1.00 0.00 C ATOM 0 HA PRO A 76 97.545 3.778 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.528 4.694 8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.272 4.973 7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.893 6.920 8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.860 6.762 6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.687 6.165 8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.544 6.541 6.825 1.00 0.00 H new ATOM 1206 N GLY A 77 97.919 1.580 6.754 1.00 0.00 N ATOM 1207 CA GLY A 77 98.113 0.210 7.219 1.00 0.00 C ATOM 1208 C GLY A 77 97.145 -0.735 6.517 1.00 0.00 C ATOM 1209 O GLY A 77 97.438 -1.916 6.329 1.00 0.00 O ATOM 0 H GLY A 77 98.100 1.718 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.139 -0.103 7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.961 0.161 8.297 1.00 0.00 H new ATOM 1213 N THR A 78 95.991 -0.202 6.126 1.00 0.00 N ATOM 1214 CA THR A 78 94.984 -1.000 5.438 1.00 0.00 C ATOM 1215 C THR A 78 95.582 -1.656 4.199 1.00 0.00 C ATOM 1216 O THR A 78 96.369 -1.038 3.481 1.00 0.00 O ATOM 1217 CB THR A 78 93.810 -0.112 5.027 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.755 -0.923 4.529 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.270 0.858 3.940 1.00 0.00 C ATOM 0 H THR A 78 95.732 0.773 6.273 1.00 0.00 H new ATOM 0 HA THR A 78 94.633 -1.777 6.117 1.00 0.00 H new ATOM 0 HB THR A 78 93.454 0.451 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.709 -1.754 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.436 1.494 3.643 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.080 1.478 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.623 0.295 3.076 1.00 0.00 H new ATOM 1227 N LYS A 79 95.210 -2.907 3.950 1.00 0.00 N ATOM 1228 CA LYS A 79 95.729 -3.624 2.788 1.00 0.00 C ATOM 1229 C LYS A 79 94.854 -3.369 1.559 1.00 0.00 C ATOM 1230 O LYS A 79 93.866 -4.065 1.334 1.00 0.00 O ATOM 1231 CB LYS A 79 95.795 -5.127 3.084 1.00 0.00 C ATOM 1232 CG LYS A 79 97.055 -5.717 2.439 1.00 0.00 C ATOM 1233 CD LYS A 79 97.210 -7.184 2.845 1.00 0.00 C ATOM 1234 CE LYS A 79 96.443 -8.077 1.866 1.00 0.00 C ATOM 1235 NZ LYS A 79 96.652 -9.507 2.232 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.560 -3.441 4.527 1.00 0.00 H new ATOM 0 HA LYS A 79 96.734 -3.257 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.810 -5.297 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.907 -5.625 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.991 -5.636 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.933 -5.150 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.265 -7.459 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 79 96.834 -7.332 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 79 95.380 -7.835 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 79 96.786 -7.897 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 95.981 -10.102 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.624 -9.788 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 96.497 -9.630 3.253 1.00 0.00 H new ATOM 1249 N MET A 80 95.228 -2.368 0.768 1.00 0.00 N ATOM 1250 CA MET A 80 94.473 -2.034 -0.437 1.00 0.00 C ATOM 1251 C MET A 80 95.142 -0.891 -1.197 1.00 0.00 C ATOM 1252 O MET A 80 94.930 0.282 -0.889 1.00 0.00 O ATOM 1253 CB MET A 80 93.040 -1.634 -0.070 1.00 0.00 C ATOM 1254 CG MET A 80 92.334 -1.069 -1.305 1.00 0.00 C ATOM 1255 SD MET A 80 90.543 -1.088 -1.042 1.00 0.00 S ATOM 1256 CE MET A 80 90.171 0.479 -1.868 1.00 0.00 C ATOM 0 H MET A 80 96.042 -1.778 0.937 1.00 0.00 H new ATOM 0 HA MET A 80 94.451 -2.916 -1.077 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.496 -2.499 0.309 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.052 -0.891 0.727 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.673 -0.051 -1.496 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.589 -1.660 -2.185 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.199 0.411 -2.357 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.152 1.283 -1.132 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.938 0.688 -2.614 1.00 0.00 H new ATOM 1266 N ILE A 81 95.948 -1.243 -2.197 1.00 0.00 N ATOM 1267 CA ILE A 81 96.643 -0.245 -3.007 1.00 0.00 C ATOM 1268 C ILE A 81 96.416 -0.510 -4.492 1.00 0.00 C ATOM 1269 O ILE A 81 97.179 -1.241 -5.124 1.00 0.00 O ATOM 1270 CB ILE A 81 98.145 -0.277 -2.709 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.386 0.044 -1.223 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.856 0.764 -3.577 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.264 -1.232 -0.377 1.00 0.00 C ATOM 0 H ILE A 81 96.135 -2.209 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 81 96.244 0.738 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 81 98.537 -1.269 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.376 0.481 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.663 0.785 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.925 0.744 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.688 0.536 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.461 1.755 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.437 -0.991 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.265 -1.651 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.004 -1.960 -0.708 1.00 0.00 H new ATOM 1285 N PHE A 82 95.360 0.087 -5.044 1.00 0.00 N ATOM 1286 CA PHE A 82 95.038 -0.090 -6.459 1.00 0.00 C ATOM 1287 C PHE A 82 95.023 1.256 -7.178 1.00 0.00 C ATOM 1288 O PHE A 82 95.906 1.549 -7.985 1.00 0.00 O ATOM 1289 CB PHE A 82 93.670 -0.761 -6.604 1.00 0.00 C ATOM 1290 CG PHE A 82 93.394 -1.030 -8.064 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.122 -2.016 -8.743 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.413 -0.295 -8.742 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.868 -2.265 -10.097 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.160 -0.546 -10.096 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.887 -1.531 -10.773 1.00 0.00 C ATOM 0 H PHE A 82 94.717 0.694 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 82 95.803 -0.722 -6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.649 -1.694 -6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.893 -0.120 -6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.879 -2.584 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.852 0.466 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.430 -3.024 -10.620 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.403 0.021 -10.618 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.691 -1.725 -11.817 1.00 0.00 H new ATOM 1305 N ALA A 83 94.014 2.068 -6.882 1.00 0.00 N ATOM 1306 CA ALA A 83 93.893 3.380 -7.506 1.00 0.00 C ATOM 1307 C ALA A 83 92.706 4.139 -6.922 1.00 0.00 C ATOM 1308 O ALA A 83 91.556 3.730 -7.081 1.00 0.00 O ATOM 1309 CB ALA A 83 93.709 3.225 -9.017 1.00 0.00 C ATOM 0 H ALA A 83 93.273 1.843 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 83 94.805 3.943 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.619 4.210 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.571 2.706 -9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.806 2.648 -9.216 1.00 0.00 H new ATOM 1315 N GLY A 84 92.994 5.244 -6.243 1.00 0.00 N ATOM 1316 CA GLY A 84 91.942 6.050 -5.635 1.00 0.00 C ATOM 1317 C GLY A 84 91.075 6.717 -6.698 1.00 0.00 C ATOM 1318 O GLY A 84 91.405 6.698 -7.884 1.00 0.00 O ATOM 0 H GLY A 84 93.939 5.600 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.321 5.421 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.388 6.811 -4.995 1.00 0.00 H new ATOM 1322 N ILE A 85 89.968 7.308 -6.263 1.00 0.00 N ATOM 1323 CA ILE A 85 89.057 7.984 -7.181 1.00 0.00 C ATOM 1324 C ILE A 85 89.542 9.409 -7.446 1.00 0.00 C ATOM 1325 O ILE A 85 90.349 9.946 -6.689 1.00 0.00 O ATOM 1326 CB ILE A 85 87.651 8.013 -6.579 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.090 6.580 -6.497 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.733 8.881 -7.443 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.396 6.197 -7.810 1.00 0.00 C ATOM 0 H ILE A 85 89.680 7.333 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 85 89.032 7.441 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 85 87.701 8.436 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.898 5.879 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.383 6.507 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.733 8.897 -7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.127 9.896 -7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.684 8.468 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 85 86.006 5.182 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.575 6.887 -8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.113 6.249 -8.629 1.00 0.00 H new ATOM 1341 N LYS A 86 89.056 10.013 -8.530 1.00 0.00 N ATOM 1342 CA LYS A 86 89.464 11.371 -8.885 1.00 0.00 C ATOM 1343 C LYS A 86 88.367 12.389 -8.577 1.00 0.00 C ATOM 1344 O LYS A 86 88.525 13.230 -7.693 1.00 0.00 O ATOM 1345 CB LYS A 86 89.815 11.432 -10.375 1.00 0.00 C ATOM 1346 CG LYS A 86 91.155 10.725 -10.618 1.00 0.00 C ATOM 1347 CD LYS A 86 92.319 11.694 -10.344 1.00 0.00 C ATOM 1348 CE LYS A 86 93.484 10.938 -9.697 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.737 9.674 -10.445 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.386 9.588 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 86 90.337 11.625 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.030 10.957 -10.964 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.875 12.470 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.238 9.852 -9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.205 10.365 -11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.646 12.156 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.987 12.499 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 86 94.380 11.559 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.253 10.716 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 94.748 9.436 -10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.178 8.904 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.461 9.798 -11.440 1.00 0.00 H new ATOM 1363 N LYS A 87 87.263 12.323 -9.318 1.00 0.00 N ATOM 1364 CA LYS A 87 86.165 13.265 -9.115 1.00 0.00 C ATOM 1365 C LYS A 87 85.293 12.852 -7.933 1.00 0.00 C ATOM 1366 O LYS A 87 85.319 11.701 -7.495 1.00 0.00 O ATOM 1367 CB LYS A 87 85.306 13.343 -10.380 1.00 0.00 C ATOM 1368 CG LYS A 87 86.072 14.078 -11.487 1.00 0.00 C ATOM 1369 CD LYS A 87 85.809 15.584 -11.389 1.00 0.00 C ATOM 1370 CE LYS A 87 86.840 16.338 -12.232 1.00 0.00 C ATOM 1371 NZ LYS A 87 88.173 16.266 -11.568 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.106 11.636 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 87 86.596 14.243 -8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 87 85.042 12.339 -10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.373 13.863 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.140 13.880 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.761 13.708 -12.464 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.802 15.812 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.867 15.907 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.895 15.905 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.537 17.378 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 88.753 17.077 -11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 88.048 16.288 -10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 88.649 15.382 -11.840 1.00 0.00 H new ATOM 1385 N LYS A 88 84.513 13.801 -7.423 1.00 0.00 N ATOM 1386 CA LYS A 88 83.632 13.521 -6.298 1.00 0.00 C ATOM 1387 C LYS A 88 82.477 12.635 -6.741 1.00 0.00 C ATOM 1388 O LYS A 88 82.200 11.611 -6.122 1.00 0.00 O ATOM 1389 CB LYS A 88 83.083 14.825 -5.714 1.00 0.00 C ATOM 1390 CG LYS A 88 82.454 14.546 -4.343 1.00 0.00 C ATOM 1391 CD LYS A 88 81.664 15.774 -3.874 1.00 0.00 C ATOM 1392 CE LYS A 88 80.223 15.688 -4.383 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.456 16.874 -3.905 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.474 14.760 -7.768 1.00 0.00 H new ATOM 0 HA LYS A 88 84.208 13.002 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.884 15.558 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.340 15.253 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.795 13.680 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.232 14.304 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.672 15.829 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.136 16.684 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.212 15.649 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.754 14.771 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.477 16.816 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.456 16.891 -2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.900 17.743 -4.266 1.00 0.00 H new ATOM 1407 N THR A 89 81.808 13.030 -7.821 1.00 0.00 N ATOM 1408 CA THR A 89 80.686 12.253 -8.332 1.00 0.00 C ATOM 1409 C THR A 89 81.098 10.803 -8.537 1.00 0.00 C ATOM 1410 O THR A 89 80.268 9.898 -8.467 1.00 0.00 O ATOM 1411 CB THR A 89 80.191 12.830 -9.656 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.279 12.936 -10.564 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.582 14.213 -9.420 1.00 0.00 C ATOM 0 H THR A 89 82.021 13.874 -8.353 1.00 0.00 H new ATOM 0 HA THR A 89 79.880 12.300 -7.600 1.00 0.00 H new ATOM 0 HB THR A 89 79.432 12.170 -10.076 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.961 13.305 -11.414 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.230 14.622 -10.367 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.745 14.128 -8.727 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.337 14.876 -8.997 1.00 0.00 H new ATOM 1421 N GLU A 90 82.385 10.584 -8.782 1.00 0.00 N ATOM 1422 CA GLU A 90 82.881 9.231 -8.976 1.00 0.00 C ATOM 1423 C GLU A 90 82.766 8.468 -7.664 1.00 0.00 C ATOM 1424 O GLU A 90 82.419 7.288 -7.643 1.00 0.00 O ATOM 1425 CB GLU A 90 84.339 9.255 -9.444 1.00 0.00 C ATOM 1426 CG GLU A 90 84.401 9.604 -10.931 1.00 0.00 C ATOM 1427 CD GLU A 90 85.838 9.925 -11.331 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.689 9.921 -10.459 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.064 10.170 -12.505 1.00 0.00 O ATOM 0 H GLU A 90 83.093 11.315 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 90 82.286 8.736 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.904 9.986 -8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.802 8.284 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.027 8.770 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.757 10.458 -11.140 1.00 0.00 H new ATOM 1436 N ARG A 91 83.044 9.166 -6.566 1.00 0.00 N ATOM 1437 CA ARG A 91 82.953 8.561 -5.244 1.00 0.00 C ATOM 1438 C ARG A 91 81.493 8.448 -4.822 1.00 0.00 C ATOM 1439 O ARG A 91 81.049 7.392 -4.381 1.00 0.00 O ATOM 1440 CB ARG A 91 83.705 9.409 -4.217 1.00 0.00 C ATOM 1441 CG ARG A 91 85.165 9.567 -4.645 1.00 0.00 C ATOM 1442 CD ARG A 91 85.973 10.237 -3.522 1.00 0.00 C ATOM 1443 NE ARG A 91 86.378 11.579 -3.927 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.867 12.446 -3.045 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.994 12.101 -1.793 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.220 13.640 -3.433 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.332 10.144 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 91 83.401 7.568 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.235 10.388 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.653 8.938 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.592 8.592 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.223 10.166 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.373 10.289 -2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.853 9.638 -3.290 1.00 0.00 H new ATOM 0 HE ARG A 91 86.284 11.857 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.718 11.167 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.369 12.766 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.121 13.908 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.595 14.306 -2.757 1.00 0.00 H new ATOM 1460 N GLU A 92 80.754 9.545 -4.959 1.00 0.00 N ATOM 1461 CA GLU A 92 79.344 9.551 -4.587 1.00 0.00 C ATOM 1462 C GLU A 92 78.594 8.479 -5.368 1.00 0.00 C ATOM 1463 O GLU A 92 77.916 7.634 -4.785 1.00 0.00 O ATOM 1464 CB GLU A 92 78.727 10.922 -4.874 1.00 0.00 C ATOM 1465 CG GLU A 92 77.289 10.952 -4.353 1.00 0.00 C ATOM 1466 CD GLU A 92 76.704 12.351 -4.515 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.163 12.627 -5.573 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 76.805 13.126 -3.578 1.00 0.00 O ATOM 0 H GLU A 92 81.104 10.432 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 92 79.264 9.341 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.315 11.705 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.741 11.122 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.681 10.230 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.268 10.659 -3.303 1.00 0.00 H new ATOM 1475 N ASP A 93 78.729 8.513 -6.691 1.00 0.00 N ATOM 1476 CA ASP A 93 78.068 7.529 -7.538 1.00 0.00 C ATOM 1477 C ASP A 93 78.526 6.124 -7.161 1.00 0.00 C ATOM 1478 O ASP A 93 77.710 5.225 -6.962 1.00 0.00 O ATOM 1479 CB ASP A 93 78.394 7.798 -9.008 1.00 0.00 C ATOM 1480 CG ASP A 93 77.864 9.169 -9.416 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.031 9.699 -8.699 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.300 9.670 -10.439 1.00 0.00 O1- ATOM 0 H ASP A 93 79.285 9.205 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 93 76.991 7.607 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.472 7.754 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.949 7.025 -9.635 1.00 0.00 H new ATOM 1487 N LEU A 94 79.840 5.948 -7.054 1.00 0.00 N ATOM 1488 CA LEU A 94 80.403 4.653 -6.687 1.00 0.00 C ATOM 1489 C LEU A 94 79.868 4.217 -5.335 1.00 0.00 C ATOM 1490 O LEU A 94 79.639 3.032 -5.095 1.00 0.00 O ATOM 1491 CB LEU A 94 81.931 4.748 -6.610 1.00 0.00 C ATOM 1492 CG LEU A 94 82.518 3.420 -6.122 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.027 2.284 -7.018 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.052 3.488 -6.167 1.00 0.00 C ATOM 0 H LEU A 94 80.531 6.681 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 94 80.118 3.924 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.337 4.995 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.219 5.552 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 94 82.196 3.236 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.445 1.339 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.939 2.235 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.346 2.466 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.468 2.543 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.378 3.674 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.399 4.296 -5.523 1.00 0.00 H new ATOM 1506 N ILE A 95 79.683 5.187 -4.451 1.00 0.00 N ATOM 1507 CA ILE A 95 79.191 4.901 -3.117 1.00 0.00 C ATOM 1508 C ILE A 95 77.691 4.651 -3.139 1.00 0.00 C ATOM 1509 O ILE A 95 77.165 3.906 -2.314 1.00 0.00 O ATOM 1510 CB ILE A 95 79.544 6.052 -2.171 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.040 5.955 -1.843 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.714 5.947 -0.883 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.588 7.317 -1.429 1.00 0.00 C ATOM 0 H ILE A 95 79.866 6.173 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 95 79.672 3.994 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 95 79.323 7.010 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.196 5.235 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.585 5.586 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.972 6.770 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.653 5.998 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.927 4.999 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.650 7.228 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.451 8.027 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.055 7.670 -0.546 1.00 0.00 H new ATOM 1525 N ALA A 96 77.010 5.258 -4.099 1.00 0.00 N ATOM 1526 CA ALA A 96 75.576 5.070 -4.225 1.00 0.00 C ATOM 1527 C ALA A 96 75.292 3.622 -4.603 1.00 0.00 C ATOM 1528 O ALA A 96 74.296 3.035 -4.174 1.00 0.00 O ATOM 1529 CB ALA A 96 75.018 6.010 -5.292 1.00 0.00 C ATOM 0 H ALA A 96 77.423 5.879 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 96 75.094 5.297 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.942 5.862 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.221 7.043 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.493 5.796 -6.250 1.00 0.00 H new ATOM 1535 N TYR A 97 76.192 3.047 -5.396 1.00 0.00 N ATOM 1536 CA TYR A 97 76.050 1.660 -5.814 1.00 0.00 C ATOM 1537 C TYR A 97 76.450 0.733 -4.673 1.00 0.00 C ATOM 1538 O TYR A 97 75.790 -0.271 -4.417 1.00 0.00 O ATOM 1539 CB TYR A 97 76.927 1.381 -7.038 1.00 0.00 C ATOM 1540 CG TYR A 97 76.935 -0.103 -7.324 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.862 -0.692 -8.003 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.013 -0.891 -6.904 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.866 -2.067 -8.262 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.018 -2.267 -7.164 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.945 -2.855 -7.843 1.00 0.00 C ATOM 1546 OH TYR A 97 76.950 -4.211 -8.099 1.00 0.00 O ATOM 0 H TYR A 97 77.021 3.518 -5.759 1.00 0.00 H new ATOM 0 HA TYR A 97 75.008 1.479 -6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.548 1.927 -7.902 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.943 1.733 -6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.030 -0.084 -8.327 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.841 -0.438 -6.379 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.037 -2.520 -8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.850 -2.875 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 97 77.772 -4.608 -7.742 1.00 0.00 H new ATOM 1556 N LEU A 98 77.536 1.080 -3.986 1.00 0.00 N ATOM 1557 CA LEU A 98 78.009 0.276 -2.869 1.00 0.00 C ATOM 1558 C LEU A 98 76.930 0.185 -1.792 1.00 0.00 C ATOM 1559 O LEU A 98 76.917 -0.748 -0.991 1.00 0.00 O ATOM 1560 CB LEU A 98 79.278 0.900 -2.273 1.00 0.00 C ATOM 1561 CG LEU A 98 80.505 0.503 -3.112 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.628 1.524 -2.925 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.006 -0.866 -2.654 1.00 0.00 C ATOM 0 H LEU A 98 78.099 1.907 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 98 78.237 -0.726 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.181 1.985 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.408 0.566 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 98 80.217 0.471 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.490 1.231 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.282 2.507 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.913 1.563 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.876 -1.152 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.283 -0.818 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.217 -1.606 -2.788 1.00 0.00 H new ATOM 1575 N LYS A 99 76.026 1.162 -1.777 1.00 0.00 N ATOM 1576 CA LYS A 99 74.949 1.182 -0.791 1.00 0.00 C ATOM 1577 C LYS A 99 73.835 0.220 -1.189 1.00 0.00 C ATOM 1578 O LYS A 99 73.421 -0.627 -0.397 1.00 0.00 O ATOM 1579 CB LYS A 99 74.381 2.599 -0.663 1.00 0.00 C ATOM 1580 CG LYS A 99 75.298 3.444 0.226 1.00 0.00 C ATOM 1581 CD LYS A 99 74.740 4.865 0.343 1.00 0.00 C ATOM 1582 CE LYS A 99 73.389 4.839 1.066 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.151 6.158 1.718 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.017 1.944 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 99 75.359 0.867 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.292 3.056 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.378 2.562 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.378 2.992 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.303 3.472 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.442 5.496 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.623 5.301 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.589 4.621 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.379 4.045 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.191 6.489 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.250 6.059 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.846 6.848 1.369 1.00 0.00 H new ATOM 1597 N LYS A 100 73.349 0.360 -2.417 1.00 0.00 N ATOM 1598 CA LYS A 100 72.278 -0.502 -2.906 1.00 0.00 C ATOM 1599 C LYS A 100 72.811 -1.893 -3.233 1.00 0.00 C ATOM 1600 O LYS A 100 72.049 -2.855 -3.329 1.00 0.00 O ATOM 1601 CB LYS A 100 71.646 0.115 -4.156 1.00 0.00 C ATOM 1602 CG LYS A 100 70.262 -0.499 -4.393 1.00 0.00 C ATOM 1603 CD LYS A 100 69.638 0.102 -5.656 1.00 0.00 C ATOM 1604 CE LYS A 100 68.968 1.438 -5.321 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.298 1.977 -6.537 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.676 1.056 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 100 71.524 -0.594 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.559 1.195 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.285 -0.059 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.347 -1.581 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.619 -0.311 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.405 0.250 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 100 68.905 -0.588 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 100 68.239 1.301 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.711 2.148 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.843 2.884 -6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.004 2.122 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.578 1.302 -6.865 1.00 0.00 H new ATOM 1619 N ALA A 101 74.124 -1.986 -3.406 1.00 0.00 N ATOM 1620 CA ALA A 101 74.760 -3.259 -3.725 1.00 0.00 C ATOM 1621 C ALA A 101 75.077 -4.040 -2.454 1.00 0.00 C ATOM 1622 O ALA A 101 75.091 -5.271 -2.457 1.00 0.00 O ATOM 1623 CB ALA A 101 76.052 -3.013 -4.506 1.00 0.00 C ATOM 0 H ALA A 101 74.768 -1.198 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 101 74.069 -3.844 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.522 -3.968 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.823 -2.484 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.733 -2.412 -3.903 1.00 0.00 H new ATOM 1629 N THR A 102 75.327 -3.316 -1.368 1.00 0.00 N ATOM 1630 CA THR A 102 75.641 -3.952 -0.092 1.00 0.00 C ATOM 1631 C THR A 102 74.369 -4.153 0.718 1.00 0.00 C ATOM 1632 O THR A 102 74.381 -4.788 1.772 1.00 0.00 O ATOM 1633 CB THR A 102 76.619 -3.082 0.700 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.061 -1.789 0.884 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.940 -2.970 -0.064 1.00 0.00 C ATOM 0 H THR A 102 75.319 -2.296 -1.344 1.00 0.00 H new ATOM 0 HA THR A 102 76.099 -4.922 -0.288 1.00 0.00 H new ATOM 0 HB THR A 102 76.804 -3.537 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.146 -1.275 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.636 -2.350 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.367 -3.964 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.759 -2.517 -1.039 1.00 0.00 H new ATOM 1643 N ASN A 103 73.274 -3.600 0.211 1.00 0.00 N ATOM 1644 CA ASN A 103 71.987 -3.713 0.884 1.00 0.00 C ATOM 1645 C ASN A 103 71.245 -4.959 0.411 1.00 0.00 C ATOM 1646 O ASN A 103 70.409 -5.506 1.129 1.00 0.00 O ATOM 1647 CB ASN A 103 71.147 -2.468 0.590 1.00 0.00 C ATOM 1648 CG ASN A 103 71.575 -1.323 1.498 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.777 -0.435 1.799 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.794 -1.291 1.954 1.00 0.00 N ATOM 0 H ASN A 103 73.252 -3.071 -0.661 1.00 0.00 H new ATOM 0 HA ASN A 103 72.156 -3.796 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.265 -2.178 -0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.090 -2.688 0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.091 -0.528 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.452 -2.029 1.702 1.00 0.00 H new ATOM 1657 N GLU A 104 71.557 -5.401 -0.803 1.00 0.00 N ATOM 1658 CA GLU A 104 70.916 -6.585 -1.366 1.00 0.00 C ATOM 1659 C GLU A 104 71.827 -7.254 -2.389 1.00 0.00 C ATOM 1660 O GLU A 104 72.660 -6.563 -2.952 1.00 0.00 O ATOM 1661 CB GLU A 104 69.595 -6.196 -2.033 1.00 0.00 C ATOM 1662 CG GLU A 104 69.839 -5.058 -3.026 1.00 0.00 C ATOM 1663 CD GLU A 104 68.548 -4.723 -3.764 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.508 -5.203 -3.344 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.617 -3.992 -4.738 1.00 0.00 O ATOM 1666 OXT GLU A 104 71.679 -8.447 -2.594 1.00 0.00 O ATOM 0 H GLU A 104 72.246 -4.961 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 104 70.721 -7.288 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.168 -7.057 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 104 68.872 -5.886 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.205 -4.177 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.611 -5.346 -3.739 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 89.032 -2.805 -1.286 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.334 -3.405 2.030 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.418 -0.748 -0.674 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.854 -2.060 -4.579 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.482 -5.050 -1.919 1.00 0.00 C HETATM 1679 NA HEC A 201 88.091 -2.203 0.320 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.361 -2.521 1.631 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.459 -1.852 2.535 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.613 -1.131 1.766 1.00 0.00 C HETATM 1683 C4A HEC A 201 87.013 -1.348 0.402 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.480 -0.283 2.239 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.477 -1.907 4.022 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.575 -3.008 4.584 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.011 -2.581 5.930 1.00 0.00 C HETATM 1688 O1A HEC A 201 84.830 -2.791 6.142 1.00 0.00 O HETATM 1689 O2A HEC A 201 86.770 -2.048 6.727 1.00 0.00 O HETATM 1690 NB HEC A 201 87.891 -1.652 -2.383 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.819 -0.889 -1.976 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.193 -0.216 -3.085 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.908 -0.545 -4.188 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.953 -1.444 -3.744 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.956 0.616 -3.033 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.684 -0.043 -5.581 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.914 1.469 -5.715 1.00 0.00 C HETATM 1698 NC HEC A 201 89.974 -3.406 -2.891 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.795 -2.979 -4.188 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.662 -3.678 -5.101 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.366 -4.564 -4.362 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.948 -4.374 -2.991 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.780 -3.450 -6.567 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.296 -5.616 -4.878 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.461 -5.042 -5.704 1.00 0.00 C HETATM 1706 ND HEC A 201 90.163 -3.965 -0.187 1.00 0.00 N HETATM 1707 C1D HEC A 201 91.122 -4.861 -0.608 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.730 -5.551 0.506 1.00 0.00 C HETATM 1709 C3D HEC A 201 91.141 -5.059 1.626 1.00 0.00 C HETATM 1710 C4D HEC A 201 90.174 -4.087 1.186 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.776 -6.617 0.433 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.438 -5.444 3.039 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.151 -4.334 3.819 1.00 0.00 C HETATM 1714 CGD HEC A 201 92.048 -4.601 5.318 1.00 0.00 C HETATM 1715 O1D HEC A 201 91.612 -5.682 5.677 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.406 -3.720 6.084 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.393 -7.465 -0.135 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.664 -6.222 -0.060 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 93.034 -6.943 1.441 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.815 -3.627 -7.042 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.092 -2.422 -6.751 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.520 -4.134 -6.983 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.124 0.009 -2.676 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.110 1.455 -2.355 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.729 0.992 -4.030 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.767 -0.900 2.786 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.861 0.500 2.895 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.983 0.172 1.382 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.198 -4.284 3.521 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 91.706 -3.368 3.582 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.066 -4.502 -6.564 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 94.045 -4.361 -5.085 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.098 -5.856 -6.049 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.228 2.001 -5.056 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.941 1.707 -5.438 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.737 1.774 -6.746 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.762 -3.214 3.888 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.141 -3.933 4.694 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.507 -5.697 3.545 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 92.057 -6.341 3.044 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.499 -2.071 4.363 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 87.159 -0.944 4.421 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.251 -5.794 -2.127 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.818 -1.798 -5.636 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.558 -0.108 -0.480 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.448 -3.578 3.100 1.00 0.00 H new HETATM 1749 O HOH A 301 80.691 3.039 -0.904 1.00 0.00 O HETATM 1752 O HOH A 302 86.018 5.567 6.329 1.00 0.00 O HETATM 1755 O HOH A 303 82.475 -6.051 5.782 1.00 0.00 O HETATM 1758 O HOH A 304 81.446 -10.305 0.083 1.00 0.00 O