USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 ASN : amide:sc= -2.08 K(o=-5.5,f=-11!) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -3.54! C(o=-5.5!,f=-5.2!) USER MOD Set 1.3: A 69 HIS : no HE2:sc= 0.137 K(o=-5.5,f=-15!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0.0893 X(o=0.81,f=0.35) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.721 K(o=0.81,f=-3.2!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.627! C(o=-0.68!,f=-5.3!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -0.0546 X(o=-0.68,f=-0.68) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0.119 (180deg=0.0914) USER MOD Single : A 14 LYS NZ :NH3+ 138:sc= -0.34 (180deg=-0.698) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.98 X(o=-2,f=-1.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 8:sc= 0.0621 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0.00128 (180deg=0.000752) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0657) USER MOD Single : A 51 CYS SG : rot 180:sc= -0.0444 USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= 0.951 (180deg=0.374) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -152:sc= -0.0829 (180deg=-0.557) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0377) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.132 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.259 USER MOD Single : A 70 LYS NZ :NH3+ -127:sc= -1.3 (180deg=-3.56!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 4.141 11.212 4.743 1.00 0.00 N ATOM 12 CA ASP A 2 3.417 9.955 4.829 1.00 0.00 C ATOM 13 C ASP A 2 2.407 9.874 3.683 1.00 0.00 C ATOM 14 O ASP A 2 2.361 8.880 2.959 1.00 0.00 O ATOM 15 CB ASP A 2 2.647 9.852 6.146 1.00 0.00 C ATOM 16 CG ASP A 2 2.915 10.981 7.143 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.451 12.117 6.962 1.00 0.00 O ATOM 18 OD2 ASP A 2 3.645 10.653 8.155 1.00 0.00 O ATOM 0 HA ASP A 2 4.142 9.143 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.580 9.829 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.894 8.902 6.621 1.00 0.00 H new ATOM 24 N ASP A 3 1.622 10.934 3.553 1.00 0.00 N ATOM 25 CA ASP A 3 0.615 10.995 2.507 1.00 0.00 C ATOM 26 C ASP A 3 1.283 10.774 1.148 1.00 0.00 C ATOM 27 O ASP A 3 2.158 11.541 0.751 1.00 0.00 O ATOM 28 CB ASP A 3 -0.069 12.364 2.480 1.00 0.00 C ATOM 29 CG ASP A 3 -0.106 13.094 3.824 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.546 14.133 4.005 1.00 0.00 O ATOM 31 OD2 ASP A 3 -0.854 12.547 4.721 1.00 0.00 O ATOM 0 H ASP A 3 1.663 11.757 4.154 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.128 10.224 2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.444 12.995 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.091 12.236 2.125 1.00 0.00 H new ATOM 37 N ILE A 4 0.844 9.721 0.474 1.00 0.00 N ATOM 38 CA ILE A 4 1.389 9.389 -0.832 1.00 0.00 C ATOM 39 C ILE A 4 0.244 9.022 -1.778 1.00 0.00 C ATOM 40 O ILE A 4 -0.598 8.189 -1.446 1.00 0.00 O ATOM 41 CB ILE A 4 2.456 8.300 -0.706 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.681 8.818 0.051 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.827 7.735 -2.079 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.747 7.728 0.180 1.00 0.00 C ATOM 0 H ILE A 4 0.118 9.087 0.807 1.00 0.00 H new ATOM 0 HA ILE A 4 1.897 10.251 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 4 2.040 7.479 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.098 9.679 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.383 9.159 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.587 6.963 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.942 7.304 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.217 8.535 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.607 8.122 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.334 6.878 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.060 7.406 -0.813 1.00 0.00 H new ATOM 56 N VAL A 5 0.251 9.661 -2.939 1.00 0.00 N ATOM 57 CA VAL A 5 -0.776 9.412 -3.936 1.00 0.00 C ATOM 58 C VAL A 5 -0.214 8.494 -5.024 1.00 0.00 C ATOM 59 O VAL A 5 0.776 8.830 -5.673 1.00 0.00 O ATOM 60 CB VAL A 5 -1.304 10.738 -4.487 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.343 10.502 -5.584 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.878 11.608 -3.366 1.00 0.00 C ATOM 0 H VAL A 5 0.952 10.351 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.627 8.900 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.465 11.274 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.702 11.461 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.889 9.941 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.180 9.936 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.246 12.545 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.698 11.080 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.098 11.820 -2.634 1.00 0.00 H new ATOM 72 N LEU A 6 -0.869 7.355 -5.189 1.00 0.00 N ATOM 73 CA LEU A 6 -0.446 6.387 -6.187 1.00 0.00 C ATOM 74 C LEU A 6 -1.321 6.530 -7.434 1.00 0.00 C ATOM 75 O LEU A 6 -2.377 5.906 -7.531 1.00 0.00 O ATOM 76 CB LEU A 6 -0.444 4.975 -5.597 1.00 0.00 C ATOM 77 CG LEU A 6 0.509 4.740 -4.423 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.229 3.395 -3.750 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.967 4.867 -4.867 1.00 0.00 C ATOM 0 H LEU A 6 -1.689 7.080 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 6 0.582 6.582 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.456 4.738 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.192 4.271 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 6 0.331 5.515 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.920 3.253 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.795 3.381 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.362 2.591 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.623 4.695 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.177 4.129 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.141 5.867 -5.263 1.00 0.00 H new ATOM 91 N LYS A 7 -0.850 7.357 -8.356 1.00 0.00 N ATOM 92 CA LYS A 7 -1.577 7.591 -9.593 1.00 0.00 C ATOM 93 C LYS A 7 -2.028 6.250 -10.175 1.00 0.00 C ATOM 94 O LYS A 7 -1.276 5.277 -10.158 1.00 0.00 O ATOM 95 CB LYS A 7 -0.736 8.429 -10.558 1.00 0.00 C ATOM 96 CG LYS A 7 0.510 7.662 -11.007 1.00 0.00 C ATOM 97 CD LYS A 7 1.769 8.223 -10.343 1.00 0.00 C ATOM 98 CE LYS A 7 2.310 7.255 -9.289 1.00 0.00 C ATOM 99 NZ LYS A 7 3.790 7.250 -9.302 1.00 0.00 N ATOM 0 H LYS A 7 0.026 7.873 -8.272 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.477 8.175 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.335 8.699 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.440 9.360 -10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.402 6.607 -10.756 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.608 7.723 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.532 8.407 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.543 9.183 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.950 7.544 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.935 6.250 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.141 6.588 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.128 6.952 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.142 8.206 -9.095 1.00 0.00 H new ATOM 112 N ALA A 8 -3.254 6.242 -10.677 1.00 0.00 N ATOM 113 CA ALA A 8 -3.814 5.036 -11.264 1.00 0.00 C ATOM 114 C ALA A 8 -4.743 5.420 -12.418 1.00 0.00 C ATOM 115 O ALA A 8 -5.493 6.390 -12.319 1.00 0.00 O ATOM 116 CB ALA A 8 -4.533 4.228 -10.182 1.00 0.00 C ATOM 0 H ALA A 8 -3.875 7.051 -10.690 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.024 4.405 -11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.953 3.324 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.824 3.956 -9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.335 4.828 -9.752 1.00 0.00 H new ATOM 122 N LYS A 9 -4.662 4.640 -13.486 1.00 0.00 N ATOM 123 CA LYS A 9 -5.485 4.886 -14.657 1.00 0.00 C ATOM 124 C LYS A 9 -6.928 4.475 -14.356 1.00 0.00 C ATOM 125 O LYS A 9 -7.812 4.641 -15.195 1.00 0.00 O ATOM 126 CB LYS A 9 -4.892 4.192 -15.885 1.00 0.00 C ATOM 127 CG LYS A 9 -5.166 2.688 -15.851 1.00 0.00 C ATOM 128 CD LYS A 9 -5.853 2.227 -17.138 1.00 0.00 C ATOM 129 CE LYS A 9 -7.006 1.268 -16.831 1.00 0.00 C ATOM 130 NZ LYS A 9 -8.306 1.965 -16.954 1.00 0.00 N ATOM 0 H LYS A 9 -4.038 3.837 -13.564 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.498 5.949 -14.896 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.318 4.622 -16.791 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.817 4.369 -15.923 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.229 2.147 -15.721 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.794 2.448 -14.993 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.230 3.092 -17.683 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.128 1.734 -17.785 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.975 0.421 -17.516 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.895 0.867 -15.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.063 1.356 -16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.277 2.852 -16.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.493 2.177 -17.955 1.00 0.00 H new ATOM 143 N ASN A 10 -7.121 3.946 -13.157 1.00 0.00 N ATOM 144 CA ASN A 10 -8.441 3.510 -12.735 1.00 0.00 C ATOM 145 C ASN A 10 -8.751 4.096 -11.356 1.00 0.00 C ATOM 146 O ASN A 10 -9.409 3.454 -10.538 1.00 0.00 O ATOM 147 CB ASN A 10 -8.509 1.985 -12.626 1.00 0.00 C ATOM 148 CG ASN A 10 -7.710 1.485 -11.422 1.00 0.00 C ATOM 149 OD1 ASN A 10 -6.584 1.888 -11.180 1.00 0.00 O ATOM 150 ND2 ASN A 10 -8.353 0.587 -10.681 1.00 0.00 N ATOM 0 H ASN A 10 -6.385 3.809 -12.464 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.162 3.851 -13.478 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.548 1.670 -12.534 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.119 1.534 -13.538 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.904 0.193 -9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.295 0.293 -10.940 1.00 0.00 H new ATOM 157 N GLY A 11 -8.262 5.308 -11.140 1.00 0.00 N ATOM 158 CA GLY A 11 -8.478 5.988 -9.875 1.00 0.00 C ATOM 159 C GLY A 11 -7.226 5.925 -8.998 1.00 0.00 C ATOM 160 O GLY A 11 -6.672 4.849 -8.776 1.00 0.00 O ATOM 0 H GLY A 11 -7.716 5.837 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.746 7.029 -10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.317 5.531 -9.351 1.00 0.00 H new ATOM 164 N ASP A 12 -6.816 7.092 -8.522 1.00 0.00 N ATOM 165 CA ASP A 12 -5.640 7.183 -7.674 1.00 0.00 C ATOM 166 C ASP A 12 -5.915 6.468 -6.349 1.00 0.00 C ATOM 167 O ASP A 12 -7.068 6.306 -5.955 1.00 0.00 O ATOM 168 CB ASP A 12 -5.297 8.641 -7.362 1.00 0.00 C ATOM 169 CG ASP A 12 -6.295 9.360 -6.452 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.735 8.814 -5.429 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.626 10.546 -6.836 1.00 0.00 O ATOM 0 H ASP A 12 -7.278 7.982 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.806 6.722 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.313 8.675 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.223 9.190 -8.301 1.00 0.00 H new ATOM 177 N VAL A 13 -4.835 6.059 -5.699 1.00 0.00 N ATOM 178 CA VAL A 13 -4.945 5.365 -4.427 1.00 0.00 C ATOM 179 C VAL A 13 -4.220 6.171 -3.348 1.00 0.00 C ATOM 180 O VAL A 13 -3.014 6.395 -3.440 1.00 0.00 O ATOM 181 CB VAL A 13 -4.417 3.936 -4.563 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.580 3.164 -3.253 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.103 3.205 -5.719 1.00 0.00 C ATOM 0 H VAL A 13 -3.880 6.195 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.989 5.283 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.352 3.993 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.197 2.151 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.024 3.668 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.636 3.122 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.709 2.191 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.177 3.164 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.912 3.738 -6.651 1.00 0.00 H new ATOM 193 N LYS A 14 -4.986 6.584 -2.348 1.00 0.00 N ATOM 194 CA LYS A 14 -4.431 7.359 -1.252 1.00 0.00 C ATOM 195 C LYS A 14 -3.813 6.411 -0.223 1.00 0.00 C ATOM 196 O LYS A 14 -4.530 5.693 0.474 1.00 0.00 O ATOM 197 CB LYS A 14 -5.491 8.295 -0.667 1.00 0.00 C ATOM 198 CG LYS A 14 -4.856 9.333 0.259 1.00 0.00 C ATOM 199 CD LYS A 14 -4.240 8.666 1.491 1.00 0.00 C ATOM 200 CE LYS A 14 -4.079 9.669 2.635 1.00 0.00 C ATOM 201 NZ LYS A 14 -2.649 9.831 2.984 1.00 0.00 N ATOM 0 H LYS A 14 -5.986 6.396 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.630 8.006 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.021 8.799 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.230 7.714 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.088 9.886 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.609 10.056 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.871 7.838 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.269 8.244 1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.500 10.632 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.636 9.327 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.444 10.837 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.439 9.290 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.059 9.480 2.203 1.00 0.00 H new ATOM 214 N PHE A 15 -2.490 6.438 -0.159 1.00 0.00 N ATOM 215 CA PHE A 15 -1.768 5.589 0.773 1.00 0.00 C ATOM 216 C PHE A 15 -1.106 6.421 1.873 1.00 0.00 C ATOM 217 O PHE A 15 -0.234 7.252 1.627 1.00 0.00 O ATOM 218 CB PHE A 15 -0.682 4.867 -0.028 1.00 0.00 C ATOM 219 CG PHE A 15 0.227 3.975 0.820 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.293 2.901 1.473 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.553 4.255 0.920 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.550 2.072 2.260 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.397 3.427 1.707 1.00 0.00 C ATOM 224 CZ PHE A 15 1.878 2.353 2.360 1.00 0.00 C ATOM 0 H PHE A 15 -1.899 7.035 -0.738 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.456 4.889 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.157 4.258 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.070 5.609 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.347 2.679 1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.965 5.108 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.138 1.219 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.451 3.650 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.520 1.723 2.958 1.00 0.00 H new ATOM 234 N PRO A 16 -1.548 6.176 3.109 1.00 0.00 N ATOM 235 CA PRO A 16 -1.061 6.845 4.296 1.00 0.00 C ATOM 236 C PRO A 16 0.217 6.172 4.774 1.00 0.00 C ATOM 237 O PRO A 16 0.133 5.204 5.529 1.00 0.00 O ATOM 238 CB PRO A 16 -2.181 6.684 5.322 1.00 0.00 C ATOM 239 CG PRO A 16 -2.884 5.442 4.909 1.00 0.00 C ATOM 240 CD PRO A 16 -2.572 5.207 3.433 1.00 0.00 C ATOM 0 HA PRO A 16 -0.822 7.895 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.784 6.598 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.853 7.542 5.315 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.552 4.596 5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.959 5.541 5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.221 4.189 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.459 5.348 2.815 1.00 0.00 H new ATOM 248 N HIS A 17 1.358 6.683 4.335 1.00 0.00 N ATOM 249 CA HIS A 17 2.635 6.114 4.729 1.00 0.00 C ATOM 250 C HIS A 17 2.973 6.552 6.156 1.00 0.00 C ATOM 251 O HIS A 17 4.061 7.068 6.409 1.00 0.00 O ATOM 252 CB HIS A 17 3.727 6.479 3.722 1.00 0.00 C ATOM 253 CG HIS A 17 5.061 5.828 4.001 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.883 6.219 5.044 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.707 4.811 3.362 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.972 5.464 5.024 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.861 4.592 3.981 1.00 0.00 N ATOM 0 H HIS A 17 1.424 7.486 3.709 1.00 0.00 H new ATOM 0 HA HIS A 17 2.569 5.026 4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.396 6.193 2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.856 7.561 3.718 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.684 6.962 5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.342 4.275 2.499 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.802 5.528 5.713 1.00 0.00 H new ATOM 265 N LYS A 18 2.021 6.330 7.050 1.00 0.00 N ATOM 266 CA LYS A 18 2.204 6.695 8.444 1.00 0.00 C ATOM 267 C LYS A 18 1.607 5.604 9.336 1.00 0.00 C ATOM 268 O LYS A 18 2.337 4.883 10.014 1.00 0.00 O ATOM 269 CB LYS A 18 1.634 8.089 8.712 1.00 0.00 C ATOM 270 CG LYS A 18 1.141 8.212 10.156 1.00 0.00 C ATOM 271 CD LYS A 18 0.769 9.659 10.487 1.00 0.00 C ATOM 272 CE LYS A 18 1.790 10.283 11.440 1.00 0.00 C ATOM 273 NZ LYS A 18 1.124 10.759 12.673 1.00 0.00 N ATOM 0 H LYS A 18 1.120 5.902 6.836 1.00 0.00 H new ATOM 0 HA LYS A 18 3.265 6.758 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.399 8.842 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.811 8.288 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.275 7.567 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.917 7.867 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.718 10.244 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.222 9.689 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.556 9.550 11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.295 11.114 10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.831 11.180 13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.410 11.474 12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.663 9.958 13.150 1.00 0.00 H new ATOM 286 N ALA A 19 0.285 5.518 9.306 1.00 0.00 N ATOM 287 CA ALA A 19 -0.419 4.528 10.102 1.00 0.00 C ATOM 288 C ALA A 19 0.139 3.138 9.790 1.00 0.00 C ATOM 289 O ALA A 19 -0.003 2.214 10.589 1.00 0.00 O ATOM 290 CB ALA A 19 -1.921 4.628 9.831 1.00 0.00 C ATOM 0 H ALA A 19 -0.317 6.118 8.742 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.267 4.713 11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.449 3.885 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.273 5.625 10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.113 4.446 8.774 1.00 0.00 H new ATOM 296 N HIS A 20 0.762 3.034 8.625 1.00 0.00 N ATOM 297 CA HIS A 20 1.342 1.772 8.197 1.00 0.00 C ATOM 298 C HIS A 20 2.712 1.588 8.853 1.00 0.00 C ATOM 299 O HIS A 20 3.419 0.625 8.561 1.00 0.00 O ATOM 300 CB HIS A 20 1.400 1.692 6.670 1.00 0.00 C ATOM 301 CG HIS A 20 0.090 1.309 6.025 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.901 2.231 5.735 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.382 0.096 5.616 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.918 1.591 5.178 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.595 0.267 5.106 1.00 0.00 N ATOM 0 H HIS A 20 0.878 3.803 7.965 1.00 0.00 H new ATOM 0 HA HIS A 20 0.709 0.947 8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.718 2.658 6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.161 0.966 6.383 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.856 3.233 5.919 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.143 -0.845 5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.841 2.038 4.840 1.00 0.00 H new ATOM 313 N GLN A 21 3.045 2.527 9.726 1.00 0.00 N ATOM 314 CA GLN A 21 4.317 2.480 10.426 1.00 0.00 C ATOM 315 C GLN A 21 4.143 1.834 11.802 1.00 0.00 C ATOM 316 O GLN A 21 4.825 0.863 12.126 1.00 0.00 O ATOM 317 CB GLN A 21 4.926 3.878 10.550 1.00 0.00 C ATOM 318 CG GLN A 21 5.357 4.412 9.183 1.00 0.00 C ATOM 319 CD GLN A 21 5.873 5.849 9.293 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.466 6.739 8.565 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.788 6.023 10.241 1.00 0.00 N ATOM 0 H GLN A 21 2.456 3.325 9.965 1.00 0.00 H new ATOM 0 HA GLN A 21 5.007 1.869 9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.199 4.557 10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.786 3.846 11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.136 3.773 8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.514 4.376 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.084 5.234 10.815 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.194 6.946 10.394 1.00 0.00 H new ATOM 330 N LYS A 22 3.226 2.398 12.573 1.00 0.00 N ATOM 331 CA LYS A 22 2.953 1.889 13.907 1.00 0.00 C ATOM 332 C LYS A 22 2.318 0.501 13.798 1.00 0.00 C ATOM 333 O LYS A 22 2.457 -0.322 14.701 1.00 0.00 O ATOM 334 CB LYS A 22 2.112 2.890 14.701 1.00 0.00 C ATOM 335 CG LYS A 22 0.618 2.629 14.504 1.00 0.00 C ATOM 336 CD LYS A 22 0.048 1.803 15.658 1.00 0.00 C ATOM 337 CE LYS A 22 -1.357 2.280 16.033 1.00 0.00 C ATOM 338 NZ LYS A 22 -1.353 2.901 17.376 1.00 0.00 N ATOM 0 H LYS A 22 2.662 3.203 12.300 1.00 0.00 H new ATOM 0 HA LYS A 22 3.880 1.773 14.468 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.360 2.820 15.760 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.352 3.905 14.384 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.086 3.578 14.434 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.458 2.103 13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.015 0.751 15.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.705 1.880 16.524 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.712 2.999 15.295 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.049 1.438 16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.314 3.219 17.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.034 2.205 18.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.708 3.717 17.379 1.00 0.00 H new ATOM 351 N ALA A 23 1.633 0.285 12.684 1.00 0.00 N ATOM 352 CA ALA A 23 0.975 -0.989 12.446 1.00 0.00 C ATOM 353 C ALA A 23 2.016 -2.022 12.012 1.00 0.00 C ATOM 354 O ALA A 23 1.879 -3.208 12.305 1.00 0.00 O ATOM 355 CB ALA A 23 -0.132 -0.805 11.407 1.00 0.00 C ATOM 0 H ALA A 23 1.520 0.970 11.937 1.00 0.00 H new ATOM 0 HA ALA A 23 0.507 -1.356 13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.626 -1.760 11.228 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.861 -0.083 11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.300 -0.440 10.475 1.00 0.00 H new ATOM 361 N VAL A 24 3.035 -1.533 11.319 1.00 0.00 N ATOM 362 CA VAL A 24 4.099 -2.400 10.841 1.00 0.00 C ATOM 363 C VAL A 24 5.448 -1.714 11.064 1.00 0.00 C ATOM 364 O VAL A 24 6.202 -1.437 10.134 1.00 0.00 O ATOM 365 CB VAL A 24 3.853 -2.773 9.378 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.944 -3.712 8.861 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.465 -3.391 9.195 1.00 0.00 C ATOM 0 H VAL A 24 3.146 -0.548 11.077 1.00 0.00 H new ATOM 0 HA VAL A 24 4.112 -3.334 11.403 1.00 0.00 H new ATOM 0 HB VAL A 24 3.892 -1.857 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.745 -3.962 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.914 -3.220 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.952 -4.624 9.458 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.316 -3.647 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.385 -4.292 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.704 -2.675 9.505 1.00 0.00 H new ATOM 377 N PRO A 25 5.740 -1.443 12.339 1.00 0.00 N ATOM 378 CA PRO A 25 6.959 -0.801 12.778 1.00 0.00 C ATOM 379 C PRO A 25 8.132 -1.313 11.954 1.00 0.00 C ATOM 380 O PRO A 25 9.109 -0.584 11.793 1.00 0.00 O ATOM 381 CB PRO A 25 7.106 -1.199 14.245 1.00 0.00 C ATOM 382 CG PRO A 25 5.631 -1.256 14.688 1.00 0.00 C ATOM 383 CD PRO A 25 4.877 -1.755 13.458 1.00 0.00 C ATOM 0 HA PRO A 25 6.934 0.282 12.658 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.609 -2.159 14.363 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.679 -0.467 14.815 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.497 -1.929 15.535 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.273 -0.275 15.001 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.684 -2.826 13.521 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.910 -1.262 13.360 1.00 0.00 H new ATOM 391 N ASP A 26 8.018 -2.536 11.457 1.00 0.00 N ATOM 392 CA ASP A 26 9.082 -3.121 10.657 1.00 0.00 C ATOM 393 C ASP A 26 9.029 -2.539 9.243 1.00 0.00 C ATOM 394 O ASP A 26 8.072 -2.774 8.507 1.00 0.00 O ATOM 395 CB ASP A 26 8.920 -4.638 10.551 1.00 0.00 C ATOM 396 CG ASP A 26 10.008 -5.350 9.744 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.816 -4.707 9.057 1.00 0.00 O ATOM 398 OD2 ASP A 26 10.006 -6.636 9.841 1.00 0.00 O ATOM 0 H ASP A 26 7.206 -3.138 11.592 1.00 0.00 H new ATOM 0 HA ASP A 26 10.032 -2.893 11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.902 -5.057 11.557 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.953 -4.854 10.098 1.00 0.00 H new ATOM 404 N CYS A 27 10.069 -1.791 8.906 1.00 0.00 N ATOM 405 CA CYS A 27 10.153 -1.174 7.593 1.00 0.00 C ATOM 406 C CYS A 27 10.759 -2.191 6.623 1.00 0.00 C ATOM 407 O CYS A 27 10.630 -2.047 5.408 1.00 0.00 O ATOM 408 CB CYS A 27 10.956 0.127 7.630 1.00 0.00 C ATOM 409 SG CYS A 27 10.759 1.107 9.163 1.00 0.00 S ATOM 0 H CYS A 27 10.861 -1.598 9.519 1.00 0.00 H new ATOM 0 HA CYS A 27 9.155 -0.898 7.253 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.012 -0.110 7.500 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.661 0.744 6.781 1.00 0.00 H new ATOM 0 HG CYS A 27 10.086 0.417 10.036 1.00 0.00 H new ATOM 414 N LYS A 28 11.405 -3.195 7.195 1.00 0.00 N ATOM 415 CA LYS A 28 12.031 -4.235 6.396 1.00 0.00 C ATOM 416 C LYS A 28 10.949 -5.162 5.836 1.00 0.00 C ATOM 417 O LYS A 28 11.243 -6.057 5.045 1.00 0.00 O ATOM 418 CB LYS A 28 13.104 -4.963 7.208 1.00 0.00 C ATOM 419 CG LYS A 28 14.242 -4.014 7.587 1.00 0.00 C ATOM 420 CD LYS A 28 15.603 -4.686 7.392 1.00 0.00 C ATOM 421 CE LYS A 28 16.520 -3.826 6.520 1.00 0.00 C ATOM 422 NZ LYS A 28 17.873 -3.743 7.113 1.00 0.00 N ATOM 0 H LYS A 28 11.509 -3.311 8.203 1.00 0.00 H new ATOM 0 HA LYS A 28 12.551 -3.799 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.660 -5.383 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.499 -5.798 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.187 -3.112 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.131 -3.704 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.071 -4.855 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.467 -5.663 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.581 -4.251 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.100 -2.825 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.482 -3.156 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.812 -3.317 8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.278 -4.698 7.189 1.00 0.00 H new ATOM 435 N LYS A 29 9.721 -4.915 6.268 1.00 0.00 N ATOM 436 CA LYS A 29 8.595 -5.716 5.820 1.00 0.00 C ATOM 437 C LYS A 29 8.354 -5.461 4.331 1.00 0.00 C ATOM 438 O LYS A 29 8.302 -6.400 3.537 1.00 0.00 O ATOM 439 CB LYS A 29 7.368 -5.452 6.695 1.00 0.00 C ATOM 440 CG LYS A 29 7.222 -6.527 7.774 1.00 0.00 C ATOM 441 CD LYS A 29 6.772 -7.857 7.166 1.00 0.00 C ATOM 442 CE LYS A 29 5.747 -8.552 8.064 1.00 0.00 C ATOM 443 NZ LYS A 29 6.206 -9.914 8.417 1.00 0.00 N ATOM 0 H LYS A 29 9.481 -4.171 6.924 1.00 0.00 H new ATOM 0 HA LYS A 29 8.815 -6.778 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.455 -4.471 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.472 -5.431 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.173 -6.662 8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.498 -6.201 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.339 -7.683 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.636 -8.507 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.594 -7.967 8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.785 -8.607 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.499 -10.372 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.330 -10.474 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.113 -9.855 8.923 1.00 0.00 H new ATOM 456 N CYS A 30 8.215 -4.187 3.996 1.00 0.00 N ATOM 457 CA CYS A 30 7.981 -3.797 2.616 1.00 0.00 C ATOM 458 C CYS A 30 9.329 -3.451 1.979 1.00 0.00 C ATOM 459 O CYS A 30 9.677 -3.985 0.927 1.00 0.00 O ATOM 460 CB CYS A 30 6.989 -2.637 2.516 1.00 0.00 C ATOM 461 SG CYS A 30 5.573 -2.926 3.639 1.00 0.00 S ATOM 0 H CYS A 30 8.260 -3.411 4.657 1.00 0.00 H new ATOM 0 HA CYS A 30 7.526 -4.626 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.484 -1.701 2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.635 -2.537 1.490 1.00 0.00 H new ATOM 0 HG CYS A 30 4.738 -1.934 3.548 1.00 0.00 H new ATOM 466 N HIS A 31 10.050 -2.561 2.644 1.00 0.00 N ATOM 467 CA HIS A 31 11.352 -2.138 2.157 1.00 0.00 C ATOM 468 C HIS A 31 12.361 -3.274 2.336 1.00 0.00 C ATOM 469 O HIS A 31 12.816 -3.534 3.449 1.00 0.00 O ATOM 470 CB HIS A 31 11.792 -0.840 2.838 1.00 0.00 C ATOM 471 CG HIS A 31 10.866 0.327 2.592 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.652 0.862 1.334 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.100 1.054 3.455 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.795 1.867 1.447 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.455 1.984 2.763 1.00 0.00 N ATOM 0 H HIS A 31 9.757 -2.121 3.516 1.00 0.00 H new ATOM 0 HA HIS A 31 11.291 -1.918 1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.866 -1.012 3.912 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.791 -0.578 2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.030 0.899 4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.430 2.484 0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.811 2.673 3.151 1.00 0.00 H new ATOM 483 N GLU A 32 12.681 -3.919 1.224 1.00 0.00 N ATOM 484 CA GLU A 32 13.628 -5.021 1.245 1.00 0.00 C ATOM 485 C GLU A 32 15.057 -4.495 1.099 1.00 0.00 C ATOM 486 O GLU A 32 15.940 -4.862 1.873 1.00 0.00 O ATOM 487 CB GLU A 32 13.305 -6.042 0.153 1.00 0.00 C ATOM 488 CG GLU A 32 12.585 -7.260 0.736 1.00 0.00 C ATOM 489 CD GLU A 32 11.373 -7.641 -0.116 1.00 0.00 C ATOM 490 OE1 GLU A 32 11.387 -8.686 -0.783 1.00 0.00 O ATOM 491 OE2 GLU A 32 10.390 -6.807 -0.069 1.00 0.00 O ATOM 0 H GLU A 32 12.302 -3.700 0.303 1.00 0.00 H new ATOM 0 HA GLU A 32 13.545 -5.528 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.681 -5.578 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.226 -6.359 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.274 -8.102 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.264 -7.044 1.755 1.00 0.00 H new ATOM 499 N LYS A 33 15.242 -3.644 0.100 1.00 0.00 N ATOM 500 CA LYS A 33 16.549 -3.064 -0.157 1.00 0.00 C ATOM 501 C LYS A 33 16.674 -1.742 0.602 1.00 0.00 C ATOM 502 O LYS A 33 17.362 -0.827 0.152 1.00 0.00 O ATOM 503 CB LYS A 33 16.790 -2.934 -1.663 1.00 0.00 C ATOM 504 CG LYS A 33 16.834 -4.309 -2.332 1.00 0.00 C ATOM 505 CD LYS A 33 17.945 -4.373 -3.382 1.00 0.00 C ATOM 506 CE LYS A 33 17.399 -4.069 -4.778 1.00 0.00 C ATOM 507 NZ LYS A 33 18.506 -3.784 -5.717 1.00 0.00 N ATOM 0 H LYS A 33 14.508 -3.342 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 33 17.337 -3.720 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.999 -2.333 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.729 -2.409 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.997 -5.079 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.873 -4.520 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.729 -3.659 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.401 -5.363 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.817 -4.917 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.724 -3.215 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.116 -3.465 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.114 -3.040 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.067 -4.647 -5.865 1.00 0.00 H new ATOM 520 N GLY A 34 15.999 -1.684 1.740 1.00 0.00 N ATOM 521 CA GLY A 34 16.026 -0.489 2.567 1.00 0.00 C ATOM 522 C GLY A 34 14.951 0.507 2.126 1.00 0.00 C ATOM 523 O GLY A 34 14.261 0.322 1.126 1.00 0.00 O ATOM 0 H GLY A 34 15.430 -2.445 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.869 -0.761 3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.008 -0.021 2.504 1.00 0.00 H new ATOM 527 N PRO A 35 14.823 1.581 2.908 1.00 0.00 N ATOM 528 CA PRO A 35 13.872 2.648 2.679 1.00 0.00 C ATOM 529 C PRO A 35 14.107 3.254 1.303 1.00 0.00 C ATOM 530 O PRO A 35 15.262 3.383 0.900 1.00 0.00 O ATOM 531 CB PRO A 35 14.154 3.667 3.781 1.00 0.00 C ATOM 532 CG PRO A 35 15.660 3.350 4.226 1.00 0.00 C ATOM 533 CD PRO A 35 15.617 1.829 4.092 1.00 0.00 C ATOM 0 HA PRO A 35 12.837 2.307 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.053 4.689 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.460 3.556 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.401 3.812 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.880 3.680 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.619 1.413 3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.169 1.368 4.972 1.00 0.00 H new ATOM 541 N GLY A 36 13.029 3.607 0.618 1.00 0.00 N ATOM 542 CA GLY A 36 13.144 4.194 -0.707 1.00 0.00 C ATOM 543 C GLY A 36 12.099 3.606 -1.658 1.00 0.00 C ATOM 544 O GLY A 36 11.196 2.891 -1.229 1.00 0.00 O ATOM 0 H GLY A 36 12.072 3.498 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.016 5.275 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.144 4.015 -1.103 1.00 0.00 H new ATOM 548 N LYS A 37 12.259 3.930 -2.933 1.00 0.00 N ATOM 549 CA LYS A 37 11.341 3.443 -3.949 1.00 0.00 C ATOM 550 C LYS A 37 11.465 1.921 -4.055 1.00 0.00 C ATOM 551 O LYS A 37 12.525 1.361 -3.781 1.00 0.00 O ATOM 552 CB LYS A 37 11.572 4.173 -5.274 1.00 0.00 C ATOM 553 CG LYS A 37 10.795 5.490 -5.317 1.00 0.00 C ATOM 554 CD LYS A 37 11.734 6.686 -5.147 1.00 0.00 C ATOM 555 CE LYS A 37 11.776 7.536 -6.418 1.00 0.00 C ATOM 556 NZ LYS A 37 12.823 8.576 -6.312 1.00 0.00 N ATOM 0 H LYS A 37 13.010 4.523 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 37 10.311 3.660 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.636 4.370 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.262 3.537 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.264 5.572 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.043 5.499 -4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.402 7.297 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.737 6.334 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.973 6.900 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.805 8.004 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.838 9.144 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.619 9.193 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.750 8.123 -6.178 1.00 0.00 H new ATOM 569 N ILE A 38 10.367 1.297 -4.455 1.00 0.00 N ATOM 570 CA ILE A 38 10.340 -0.149 -4.601 1.00 0.00 C ATOM 571 C ILE A 38 10.301 -0.506 -6.088 1.00 0.00 C ATOM 572 O ILE A 38 9.367 -0.133 -6.796 1.00 0.00 O ATOM 573 CB ILE A 38 9.185 -0.747 -3.795 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.268 -0.329 -2.325 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.133 -2.267 -3.957 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.970 -0.661 -1.587 1.00 0.00 C ATOM 0 H ILE A 38 9.490 1.765 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 38 11.248 -0.591 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 38 8.250 -0.349 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.104 -0.838 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.465 0.741 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.303 -2.667 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.991 -2.516 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.068 -2.703 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.055 -0.354 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.140 -0.131 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.788 -1.735 -1.635 1.00 0.00 H new ATOM 588 N GLU A 39 11.328 -1.224 -6.518 1.00 0.00 N ATOM 589 CA GLU A 39 11.424 -1.636 -7.908 1.00 0.00 C ATOM 590 C GLU A 39 10.606 -2.908 -8.142 1.00 0.00 C ATOM 591 O GLU A 39 10.712 -3.868 -7.380 1.00 0.00 O ATOM 592 CB GLU A 39 12.883 -1.839 -8.321 1.00 0.00 C ATOM 593 CG GLU A 39 13.513 -3.003 -7.554 1.00 0.00 C ATOM 594 CD GLU A 39 14.880 -2.611 -6.989 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.911 -3.130 -7.442 1.00 0.00 O ATOM 596 OE2 GLU A 39 14.848 -1.732 -6.045 1.00 0.00 O ATOM 0 H GLU A 39 12.101 -1.531 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 39 11.012 -0.842 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.938 -2.033 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.448 -0.926 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.853 -3.307 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.622 -3.863 -8.215 1.00 0.00 H new ATOM 604 N GLY A 40 9.809 -2.875 -9.200 1.00 0.00 N ATOM 605 CA GLY A 40 8.974 -4.013 -9.544 1.00 0.00 C ATOM 606 C GLY A 40 7.510 -3.746 -9.187 1.00 0.00 C ATOM 607 O GLY A 40 6.606 -4.136 -9.926 1.00 0.00 O ATOM 0 H GLY A 40 9.724 -2.078 -9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.060 -4.223 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.325 -4.899 -9.016 1.00 0.00 H new ATOM 611 N PHE A 41 7.321 -3.084 -8.056 1.00 0.00 N ATOM 612 CA PHE A 41 5.982 -2.760 -7.592 1.00 0.00 C ATOM 613 C PHE A 41 5.074 -2.379 -8.763 1.00 0.00 C ATOM 614 O PHE A 41 5.556 -2.018 -9.835 1.00 0.00 O ATOM 615 CB PHE A 41 6.112 -1.561 -6.652 1.00 0.00 C ATOM 616 CG PHE A 41 4.791 -1.125 -6.014 1.00 0.00 C ATOM 617 CD1 PHE A 41 3.916 -0.359 -6.718 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.492 -1.504 -4.742 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.690 0.046 -6.127 1.00 0.00 C ATOM 620 CE2 PHE A 41 3.266 -1.099 -4.150 1.00 0.00 C ATOM 621 CZ PHE A 41 2.391 -0.333 -4.855 1.00 0.00 C ATOM 0 H PHE A 41 8.073 -2.763 -7.446 1.00 0.00 H new ATOM 0 HA PHE A 41 5.543 -3.623 -7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.822 -1.807 -5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.531 -0.721 -7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.154 -0.058 -7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.187 -2.113 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.995 0.655 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.029 -1.399 -3.140 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.459 -0.025 -4.405 1.00 0.00 H new ATOM 631 N GLY A 42 3.775 -2.473 -8.518 1.00 0.00 N ATOM 632 CA GLY A 42 2.795 -2.142 -9.538 1.00 0.00 C ATOM 633 C GLY A 42 1.416 -2.697 -9.175 1.00 0.00 C ATOM 634 O GLY A 42 1.094 -2.845 -7.997 1.00 0.00 O ATOM 0 H GLY A 42 3.379 -2.774 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.736 -1.060 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.113 -2.548 -10.498 1.00 0.00 H new ATOM 638 N LYS A 43 0.640 -2.989 -10.208 1.00 0.00 N ATOM 639 CA LYS A 43 -0.697 -3.524 -10.012 1.00 0.00 C ATOM 640 C LYS A 43 -0.601 -4.875 -9.300 1.00 0.00 C ATOM 641 O LYS A 43 -0.830 -4.963 -8.094 1.00 0.00 O ATOM 642 CB LYS A 43 -1.451 -3.582 -11.342 1.00 0.00 C ATOM 643 CG LYS A 43 -2.959 -3.704 -11.112 1.00 0.00 C ATOM 644 CD LYS A 43 -3.585 -4.695 -12.095 1.00 0.00 C ATOM 645 CE LYS A 43 -4.697 -4.031 -12.910 1.00 0.00 C ATOM 646 NZ LYS A 43 -4.879 -4.727 -14.203 1.00 0.00 N ATOM 0 H LYS A 43 0.911 -2.865 -11.183 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.281 -2.865 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.240 -2.685 -11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.099 -4.431 -11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.149 -4.031 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.428 -2.727 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.818 -5.080 -12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.989 -5.548 -11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.630 -4.049 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.451 -2.984 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.637 -4.263 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.993 -4.688 -14.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.135 -5.720 -14.030 1.00 0.00 H new ATOM 659 N GLU A 44 -0.263 -5.894 -10.075 1.00 0.00 N ATOM 660 CA GLU A 44 -0.134 -7.236 -9.534 1.00 0.00 C ATOM 661 C GLU A 44 0.416 -7.182 -8.107 1.00 0.00 C ATOM 662 O GLU A 44 0.027 -7.982 -7.257 1.00 0.00 O ATOM 663 CB GLU A 44 0.749 -8.107 -10.430 1.00 0.00 C ATOM 664 CG GLU A 44 -0.029 -8.604 -11.650 1.00 0.00 C ATOM 665 CD GLU A 44 -1.186 -7.661 -11.984 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.274 -7.785 -11.401 1.00 0.00 O ATOM 667 OE2 GLU A 44 -0.925 -6.775 -12.884 1.00 0.00 O ATOM 0 H GLU A 44 -0.074 -5.817 -11.074 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.124 -7.691 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.618 -7.535 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.123 -8.958 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.641 -8.681 -12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.415 -9.605 -11.457 1.00 0.00 H new ATOM 675 N MET A 45 1.312 -6.232 -7.888 1.00 0.00 N ATOM 676 CA MET A 45 1.920 -6.063 -6.579 1.00 0.00 C ATOM 677 C MET A 45 0.911 -5.500 -5.575 1.00 0.00 C ATOM 678 O MET A 45 0.656 -6.110 -4.538 1.00 0.00 O ATOM 679 CB MET A 45 3.115 -5.114 -6.689 1.00 0.00 C ATOM 680 CG MET A 45 4.252 -5.555 -5.765 1.00 0.00 C ATOM 681 SD MET A 45 5.249 -6.795 -6.573 1.00 0.00 S ATOM 682 CE MET A 45 6.593 -6.921 -5.405 1.00 0.00 C ATOM 0 H MET A 45 1.632 -5.571 -8.595 1.00 0.00 H new ATOM 0 HA MET A 45 2.252 -7.039 -6.224 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.469 -5.087 -7.720 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.805 -4.101 -6.432 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.869 -4.697 -5.499 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.843 -5.954 -4.836 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.314 -7.659 -5.758 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.083 -5.952 -5.309 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.204 -7.229 -4.434 1.00 0.00 H new ATOM 692 N ALA A 46 0.366 -4.342 -5.918 1.00 0.00 N ATOM 693 CA ALA A 46 -0.609 -3.691 -5.060 1.00 0.00 C ATOM 694 C ALA A 46 -1.715 -4.685 -4.705 1.00 0.00 C ATOM 695 O ALA A 46 -2.037 -4.869 -3.532 1.00 0.00 O ATOM 696 CB ALA A 46 -1.150 -2.441 -5.759 1.00 0.00 C ATOM 0 H ALA A 46 0.581 -3.838 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.145 -3.369 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.882 -1.952 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.329 -1.754 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.625 -2.726 -6.698 1.00 0.00 H new ATOM 702 N HIS A 47 -2.267 -5.302 -5.740 1.00 0.00 N ATOM 703 CA HIS A 47 -3.331 -6.274 -5.551 1.00 0.00 C ATOM 704 C HIS A 47 -2.754 -7.556 -4.948 1.00 0.00 C ATOM 705 O HIS A 47 -3.416 -8.226 -4.156 1.00 0.00 O ATOM 706 CB HIS A 47 -4.080 -6.520 -6.863 1.00 0.00 C ATOM 707 CG HIS A 47 -4.626 -5.267 -7.503 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.777 -5.129 -8.872 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.057 -4.097 -6.948 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.276 -3.926 -9.118 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.448 -3.288 -7.925 1.00 0.00 N ATOM 0 H HIS A 47 -1.998 -5.148 -6.712 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.066 -5.883 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.408 -7.012 -7.566 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.904 -7.208 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.077 -3.868 -5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.506 -3.522 -10.093 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.816 -2.345 -7.804 1.00 0.00 H new ATOM 719 N GLY A 48 -1.527 -7.858 -5.344 1.00 0.00 N ATOM 720 CA GLY A 48 -0.853 -9.048 -4.852 1.00 0.00 C ATOM 721 C GLY A 48 -0.401 -8.862 -3.402 1.00 0.00 C ATOM 722 O GLY A 48 -1.152 -8.348 -2.575 1.00 0.00 O ATOM 0 H GLY A 48 -0.981 -7.299 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.523 -9.905 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.010 -9.268 -5.480 1.00 0.00 H new ATOM 726 N LYS A 49 0.825 -9.291 -3.139 1.00 0.00 N ATOM 727 CA LYS A 49 1.386 -9.178 -1.804 1.00 0.00 C ATOM 728 C LYS A 49 2.016 -7.794 -1.635 1.00 0.00 C ATOM 729 O LYS A 49 3.091 -7.664 -1.052 1.00 0.00 O ATOM 730 CB LYS A 49 2.354 -10.331 -1.530 1.00 0.00 C ATOM 731 CG LYS A 49 2.726 -10.395 -0.048 1.00 0.00 C ATOM 732 CD LYS A 49 3.799 -11.457 0.203 1.00 0.00 C ATOM 733 CE LYS A 49 4.059 -11.630 1.701 1.00 0.00 C ATOM 734 NZ LYS A 49 4.685 -10.412 2.263 1.00 0.00 N ATOM 0 H LYS A 49 1.445 -9.717 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 49 0.601 -9.265 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.898 -11.273 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.255 -10.204 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.089 -9.421 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.839 -10.622 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.483 -12.407 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.723 -11.171 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.121 -11.835 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.709 -12.489 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.963 -10.588 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.527 -10.166 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.005 -9.625 2.230 1.00 0.00 H new ATOM 747 N GLY A 50 1.319 -6.795 -2.157 1.00 0.00 N ATOM 748 CA GLY A 50 1.797 -5.425 -2.071 1.00 0.00 C ATOM 749 C GLY A 50 0.913 -4.593 -1.140 1.00 0.00 C ATOM 750 O GLY A 50 1.401 -4.002 -0.178 1.00 0.00 O ATOM 0 H GLY A 50 0.428 -6.907 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.824 -5.417 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.808 -4.977 -3.065 1.00 0.00 H new ATOM 754 N CYS A 51 -0.373 -4.574 -1.458 1.00 0.00 N ATOM 755 CA CYS A 51 -1.330 -3.824 -0.662 1.00 0.00 C ATOM 756 C CYS A 51 -2.399 -4.795 -0.156 1.00 0.00 C ATOM 757 O CYS A 51 -2.291 -5.320 0.952 1.00 0.00 O ATOM 758 CB CYS A 51 -1.941 -2.666 -1.454 1.00 0.00 C ATOM 759 SG CYS A 51 -0.735 -1.426 -2.052 1.00 0.00 S ATOM 0 H CYS A 51 -0.775 -5.066 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.822 -3.368 0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.478 -3.073 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.677 -2.163 -0.827 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.360 -0.495 -2.710 1.00 0.00 H new ATOM 764 N LYS A 52 -3.406 -5.005 -0.991 1.00 0.00 N ATOM 765 CA LYS A 52 -4.493 -5.903 -0.641 1.00 0.00 C ATOM 766 C LYS A 52 -3.919 -7.161 0.014 1.00 0.00 C ATOM 767 O LYS A 52 -4.390 -7.586 1.067 1.00 0.00 O ATOM 768 CB LYS A 52 -5.365 -6.191 -1.865 1.00 0.00 C ATOM 769 CG LYS A 52 -6.261 -4.995 -2.194 1.00 0.00 C ATOM 770 CD LYS A 52 -7.664 -5.454 -2.593 1.00 0.00 C ATOM 771 CE LYS A 52 -7.747 -5.722 -4.097 1.00 0.00 C ATOM 772 NZ LYS A 52 -8.865 -6.642 -4.399 1.00 0.00 N ATOM 0 H LYS A 52 -3.492 -4.569 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.153 -5.435 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.731 -6.421 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.981 -7.071 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.323 -4.334 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.819 -4.417 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.924 -6.359 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.392 -4.692 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.887 -4.783 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.809 -6.153 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.238 -6.436 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.525 -7.624 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.620 -6.514 -3.695 1.00 0.00 H new ATOM 785 N GLY A 53 -2.910 -7.721 -0.637 1.00 0.00 N ATOM 786 CA GLY A 53 -2.267 -8.921 -0.132 1.00 0.00 C ATOM 787 C GLY A 53 -2.259 -8.936 1.398 1.00 0.00 C ATOM 788 O GLY A 53 -2.941 -9.750 2.019 1.00 0.00 O ATOM 0 H GLY A 53 -2.522 -7.365 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.789 -9.802 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.244 -8.974 -0.505 1.00 0.00 H new ATOM 792 N CYS A 54 -1.480 -8.025 1.963 1.00 0.00 N ATOM 793 CA CYS A 54 -1.374 -7.923 3.408 1.00 0.00 C ATOM 794 C CYS A 54 -2.781 -7.748 3.982 1.00 0.00 C ATOM 795 O CYS A 54 -3.140 -8.395 4.965 1.00 0.00 O ATOM 796 CB CYS A 54 -0.441 -6.785 3.829 1.00 0.00 C ATOM 797 SG CYS A 54 -0.162 -6.839 5.636 1.00 0.00 S ATOM 0 H CYS A 54 -0.916 -7.351 1.445 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.930 -8.835 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.510 -6.870 3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.875 -5.825 3.548 1.00 0.00 H new ATOM 0 HG CYS A 54 0.633 -5.870 5.982 1.00 0.00 H new ATOM 802 N HIS A 55 -3.541 -6.870 3.343 1.00 0.00 N ATOM 803 CA HIS A 55 -4.901 -6.602 3.778 1.00 0.00 C ATOM 804 C HIS A 55 -5.670 -7.919 3.901 1.00 0.00 C ATOM 805 O HIS A 55 -5.943 -8.381 5.008 1.00 0.00 O ATOM 806 CB HIS A 55 -5.583 -5.602 2.841 1.00 0.00 C ATOM 807 CG HIS A 55 -5.041 -4.197 2.943 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.539 -3.145 2.193 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.041 -3.681 3.713 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.861 -2.051 2.506 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.932 -2.385 3.448 1.00 0.00 N ATOM 0 H HIS A 55 -3.241 -6.336 2.528 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.887 -6.137 4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.473 -5.949 1.814 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.651 -5.585 3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.299 -3.203 1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.439 -4.234 4.419 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.016 -1.067 2.089 1.00 0.00 H new ATOM 819 N GLU A 56 -5.997 -8.486 2.749 1.00 0.00 N ATOM 820 CA GLU A 56 -6.728 -9.741 2.714 1.00 0.00 C ATOM 821 C GLU A 56 -6.003 -10.802 3.543 1.00 0.00 C ATOM 822 O GLU A 56 -6.614 -11.771 3.990 1.00 0.00 O ATOM 823 CB GLU A 56 -6.933 -10.216 1.274 1.00 0.00 C ATOM 824 CG GLU A 56 -5.772 -9.776 0.381 1.00 0.00 C ATOM 825 CD GLU A 56 -5.587 -10.739 -0.793 1.00 0.00 C ATOM 826 OE1 GLU A 56 -5.815 -10.357 -1.951 1.00 0.00 O ATOM 827 OE2 GLU A 56 -5.191 -11.923 -0.469 1.00 0.00 O ATOM 0 H GLU A 56 -5.769 -8.099 1.833 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.713 -9.577 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.020 -11.302 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.868 -9.814 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.959 -8.770 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.854 -9.731 0.967 1.00 0.00 H new ATOM 835 N GLU A 57 -4.708 -10.583 3.724 1.00 0.00 N ATOM 836 CA GLU A 57 -3.893 -11.508 4.492 1.00 0.00 C ATOM 837 C GLU A 57 -4.335 -11.516 5.957 1.00 0.00 C ATOM 838 O GLU A 57 -4.635 -12.572 6.513 1.00 0.00 O ATOM 839 CB GLU A 57 -2.408 -11.162 4.370 1.00 0.00 C ATOM 840 CG GLU A 57 -1.705 -12.100 3.386 1.00 0.00 C ATOM 841 CD GLU A 57 -1.977 -13.564 3.736 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.899 -13.945 4.914 1.00 0.00 O ATOM 843 OE2 GLU A 57 -2.279 -14.317 2.734 1.00 0.00 O ATOM 0 H GLU A 57 -4.204 -9.778 3.352 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.034 -12.509 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.298 -10.130 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.933 -11.233 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.050 -11.894 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.632 -11.912 3.402 1.00 0.00 H new ATOM 851 N MET A 58 -4.362 -10.327 6.540 1.00 0.00 N ATOM 852 CA MET A 58 -4.763 -10.184 7.929 1.00 0.00 C ATOM 853 C MET A 58 -6.270 -9.944 8.043 1.00 0.00 C ATOM 854 O MET A 58 -6.808 -9.869 9.147 1.00 0.00 O ATOM 855 CB MET A 58 -4.010 -9.011 8.560 1.00 0.00 C ATOM 856 CG MET A 58 -2.498 -9.245 8.521 1.00 0.00 C ATOM 857 SD MET A 58 -1.902 -9.652 10.154 1.00 0.00 S ATOM 858 CE MET A 58 -2.125 -8.078 10.966 1.00 0.00 C ATOM 0 H MET A 58 -4.113 -9.454 6.076 1.00 0.00 H new ATOM 0 HA MET A 58 -4.520 -11.108 8.454 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.253 -8.091 8.029 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.335 -8.879 9.592 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.264 -10.053 7.828 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.993 -8.352 8.152 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.397 -7.978 11.771 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.982 -7.273 10.245 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.132 -8.021 11.378 1.00 0.00 H new ATOM 868 N LYS A 59 -6.907 -9.829 6.888 1.00 0.00 N ATOM 869 CA LYS A 59 -8.341 -9.599 6.844 1.00 0.00 C ATOM 870 C LYS A 59 -8.639 -8.171 7.305 1.00 0.00 C ATOM 871 O LYS A 59 -9.792 -7.823 7.557 1.00 0.00 O ATOM 872 CB LYS A 59 -9.081 -10.671 7.647 1.00 0.00 C ATOM 873 CG LYS A 59 -9.714 -11.711 6.720 1.00 0.00 C ATOM 874 CD LYS A 59 -10.874 -11.104 5.927 1.00 0.00 C ATOM 875 CE LYS A 59 -12.177 -11.859 6.198 1.00 0.00 C ATOM 876 NZ LYS A 59 -13.334 -10.940 6.123 1.00 0.00 N ATOM 0 H LYS A 59 -6.457 -9.891 5.975 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.709 -9.688 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.388 -11.162 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.854 -10.204 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.961 -12.097 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.073 -12.556 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.994 -10.055 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.646 -11.135 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.296 -12.663 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.137 -12.323 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.210 -11.469 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.226 -10.187 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.380 -10.517 5.174 1.00 0.00 H new ATOM 889 N LYS A 60 -7.579 -7.382 7.402 1.00 0.00 N ATOM 890 CA LYS A 60 -7.712 -5.999 7.829 1.00 0.00 C ATOM 891 C LYS A 60 -7.347 -5.074 6.667 1.00 0.00 C ATOM 892 O LYS A 60 -6.482 -5.401 5.856 1.00 0.00 O ATOM 893 CB LYS A 60 -6.891 -5.748 9.096 1.00 0.00 C ATOM 894 CG LYS A 60 -7.264 -6.744 10.196 1.00 0.00 C ATOM 895 CD LYS A 60 -6.528 -6.421 11.499 1.00 0.00 C ATOM 896 CE LYS A 60 -7.091 -5.155 12.147 1.00 0.00 C ATOM 897 NZ LYS A 60 -6.135 -4.033 12.009 1.00 0.00 N ATOM 0 H LYS A 60 -6.624 -7.674 7.192 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.746 -5.781 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.828 -5.833 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.061 -4.731 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.340 -6.718 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.016 -7.756 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.620 -7.259 12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.465 -6.289 11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.040 -4.891 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.295 -5.339 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.619 -3.137 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.347 -4.164 12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.766 -4.009 11.037 1.00 0.00 H new ATOM 910 N GLY A 61 -8.025 -3.936 6.622 1.00 0.00 N ATOM 911 CA GLY A 61 -7.783 -2.961 5.573 1.00 0.00 C ATOM 912 C GLY A 61 -8.760 -3.152 4.411 1.00 0.00 C ATOM 913 O GLY A 61 -9.439 -4.169 4.290 1.00 0.00 O ATOM 0 H GLY A 61 -8.742 -3.668 7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.885 -1.954 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.759 -3.057 5.212 1.00 0.00 H new ATOM 917 N PRO A 62 -8.816 -2.136 3.547 1.00 0.00 N ATOM 918 CA PRO A 62 -9.667 -2.104 2.378 1.00 0.00 C ATOM 919 C PRO A 62 -9.174 -3.122 1.359 1.00 0.00 C ATOM 920 O PRO A 62 -8.020 -3.032 0.941 1.00 0.00 O ATOM 921 CB PRO A 62 -9.538 -0.682 1.838 1.00 0.00 C ATOM 922 CG PRO A 62 -8.184 -0.230 2.309 1.00 0.00 C ATOM 923 CD PRO A 62 -8.031 -0.925 3.659 1.00 0.00 C ATOM 0 HA PRO A 62 -10.704 -2.354 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.609 -0.661 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.329 -0.037 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.398 -0.524 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.134 0.854 2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.986 -1.150 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.392 -0.294 4.471 1.00 0.00 H new ATOM 931 N THR A 63 -10.037 -4.054 0.985 1.00 0.00 N ATOM 932 CA THR A 63 -9.665 -5.074 0.019 1.00 0.00 C ATOM 933 C THR A 63 -10.600 -5.028 -1.191 1.00 0.00 C ATOM 934 O THR A 63 -10.350 -5.688 -2.199 1.00 0.00 O ATOM 935 CB THR A 63 -9.665 -6.426 0.735 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.037 -6.658 1.040 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.984 -6.363 2.104 1.00 0.00 C ATOM 0 H THR A 63 -10.993 -4.125 1.333 1.00 0.00 H new ATOM 0 HA THR A 63 -8.664 -4.899 -0.376 1.00 0.00 H new ATOM 0 HB THR A 63 -9.162 -7.166 0.113 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.128 -7.516 1.505 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.011 -7.348 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.948 -6.048 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.507 -5.647 2.738 1.00 0.00 H new ATOM 945 N LYS A 64 -11.658 -4.242 -1.052 1.00 0.00 N ATOM 946 CA LYS A 64 -12.632 -4.101 -2.122 1.00 0.00 C ATOM 947 C LYS A 64 -12.265 -2.891 -2.983 1.00 0.00 C ATOM 948 O LYS A 64 -11.573 -1.984 -2.523 1.00 0.00 O ATOM 949 CB LYS A 64 -14.050 -4.043 -1.551 1.00 0.00 C ATOM 950 CG LYS A 64 -14.259 -5.127 -0.491 1.00 0.00 C ATOM 951 CD LYS A 64 -13.919 -4.603 0.905 1.00 0.00 C ATOM 952 CE LYS A 64 -14.734 -5.329 1.977 1.00 0.00 C ATOM 953 NZ LYS A 64 -15.922 -4.531 2.353 1.00 0.00 N ATOM 0 H LYS A 64 -11.862 -3.696 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.612 -4.974 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.230 -3.061 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.775 -4.171 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.294 -5.467 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.635 -5.990 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.855 -4.738 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.119 -3.533 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.047 -6.305 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.114 -5.506 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.464 -5.038 3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.617 -3.610 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.521 -4.384 1.515 1.00 0.00 H new ATOM 966 N CYS A 65 -12.745 -2.916 -4.217 1.00 0.00 N ATOM 967 CA CYS A 65 -12.477 -1.832 -5.147 1.00 0.00 C ATOM 968 C CYS A 65 -13.271 -0.605 -4.696 1.00 0.00 C ATOM 969 O CYS A 65 -14.259 -0.731 -3.974 1.00 0.00 O ATOM 970 CB CYS A 65 -12.807 -2.228 -6.588 1.00 0.00 C ATOM 971 SG CYS A 65 -12.729 -4.024 -6.927 1.00 0.00 S ATOM 0 H CYS A 65 -13.318 -3.670 -4.595 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.413 -1.598 -5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.808 -1.870 -6.828 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.116 -1.716 -7.258 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.028 -4.244 -8.173 1.00 0.00 H new ATOM 976 N GLY A 66 -12.810 0.555 -5.140 1.00 0.00 N ATOM 977 CA GLY A 66 -13.465 1.804 -4.792 1.00 0.00 C ATOM 978 C GLY A 66 -12.911 2.366 -3.481 1.00 0.00 C ATOM 979 O GLY A 66 -12.812 3.581 -3.315 1.00 0.00 O ATOM 0 H GLY A 66 -11.990 0.656 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.321 2.530 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.539 1.642 -4.698 1.00 0.00 H new ATOM 983 N GLU A 67 -12.564 1.456 -2.583 1.00 0.00 N ATOM 984 CA GLU A 67 -12.023 1.846 -1.292 1.00 0.00 C ATOM 985 C GLU A 67 -10.583 2.339 -1.448 1.00 0.00 C ATOM 986 O GLU A 67 -10.076 3.065 -0.594 1.00 0.00 O ATOM 987 CB GLU A 67 -12.101 0.690 -0.293 1.00 0.00 C ATOM 988 CG GLU A 67 -12.644 1.166 1.056 1.00 0.00 C ATOM 989 CD GLU A 67 -12.680 0.020 2.069 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.346 0.222 3.245 1.00 0.00 O ATOM 991 OE2 GLU A 67 -13.073 -1.114 1.595 1.00 0.00 O ATOM 0 H GLU A 67 -12.647 0.449 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.627 2.664 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.743 -0.096 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.111 0.255 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.020 1.974 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.647 1.572 0.925 1.00 0.00 H new ATOM 999 N CYS A 68 -9.965 1.926 -2.544 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.594 2.317 -2.823 1.00 0.00 C ATOM 1001 C CYS A 68 -8.601 3.289 -4.004 1.00 0.00 C ATOM 1002 O CYS A 68 -7.955 4.334 -3.957 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.702 1.102 -3.089 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.584 0.823 -1.667 1.00 0.00 S ATOM 0 H CYS A 68 -10.389 1.324 -3.250 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.170 2.812 -1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.318 0.218 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.118 1.261 -3.996 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.833 -0.212 -1.902 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.341 2.909 -5.036 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.441 3.734 -6.228 1.00 0.00 C ATOM 1011 C HIS A 69 -10.623 4.695 -6.089 1.00 0.00 C ATOM 1012 O HIS A 69 -11.768 4.317 -6.331 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.529 2.865 -7.485 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.352 1.939 -7.674 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.090 2.391 -8.019 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.258 0.583 -7.562 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.281 1.345 -8.109 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.007 0.225 -7.826 1.00 0.00 N ATOM 0 H HIS A 69 -9.876 2.042 -5.071 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.538 4.335 -6.335 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.442 2.271 -7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.612 3.513 -8.357 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.827 3.364 -8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.065 -0.086 -7.302 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.231 1.374 -8.362 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.305 5.921 -5.699 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.326 6.940 -5.524 1.00 0.00 C ATOM 1028 C LYS A 70 -11.109 8.055 -6.548 1.00 0.00 C ATOM 1029 O LYS A 70 -10.037 8.656 -6.599 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.351 7.431 -4.075 1.00 0.00 C ATOM 1031 CG LYS A 70 -9.975 7.949 -3.649 1.00 0.00 C ATOM 1032 CD LYS A 70 -9.071 6.799 -3.201 1.00 0.00 C ATOM 1033 CE LYS A 70 -8.949 6.759 -1.677 1.00 0.00 C ATOM 1034 NZ LYS A 70 -7.917 5.782 -1.265 1.00 0.00 N ATOM 0 H LYS A 70 -9.354 6.232 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.316 6.523 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.091 8.224 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.658 6.618 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.509 8.480 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.088 8.666 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.474 5.853 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.082 6.914 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.692 7.749 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.909 6.490 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.323 5.120 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.587 5.254 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.115 6.285 -0.834 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.143 8.298 -7.340 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.078 9.331 -8.360 1.00 0.00 C ATOM 1049 C LYS A 71 -12.079 10.706 -7.689 1.00 0.00 C ATOM 1050 O LYS A 71 -12.539 11.685 -8.273 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.201 9.145 -9.382 1.00 0.00 C ATOM 1052 CG LYS A 71 -14.569 9.402 -8.747 1.00 0.00 C ATOM 1053 CD LYS A 71 -15.545 8.269 -9.069 1.00 0.00 C ATOM 1054 CE LYS A 71 -16.931 8.820 -9.411 1.00 0.00 C ATOM 1055 NZ LYS A 71 -17.089 8.953 -10.877 1.00 0.00 N ATOM 0 H LYS A 71 -13.031 7.797 -7.296 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.148 9.252 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.051 9.826 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.167 8.133 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.460 9.497 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.971 10.347 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.165 7.684 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.618 7.594 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.700 8.157 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.071 9.790 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.035 9.328 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.367 9.604 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.977 8.021 -11.324 1.00 0.00 H new