USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 898 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: B 27 CYS SG : rot 65:sc= -16.7! USER MOD Set 1.2: B 50 CYS SG : rot 130:sc= -11.8! USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc=-0.00756 USER MOD Single : B 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : B 9 MET CE :methyl -157:sc= -0.0679 (180deg=-0.509) USER MOD Single : B -1 LYS NZ :NH3+ -173:sc=-0.00925 (180deg=-0.0821) USER MOD Single : B -7 HIS :FLIP no HD1:sc= -0.759 F(o=-1.5,f=-0.76) USER MOD Single : B -8 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : B -9 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 162:sc= 1.8 (180deg=1.38) USER MOD Single : B 16 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -94:sc= -0.484! USER MOD Single : B 28 LYS NZ :NH3+ 144:sc= 1.02 (180deg=0.0418) USER MOD Single : B 32 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 37 LYS NZ :NH3+ -116:sc= -0.596 (180deg=-0.888) USER MOD Single : B 38 LYS NZ :NH3+ -170:sc=-0.00846 (180deg=-0.132) USER MOD Single : B 44 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.154) USER MOD Single : B 45 MET CE :methyl -176:sc= -1.88 (180deg=-1.96) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 39:sc= 0.545 USER MOD Single : B 49 GLN :FLIP amide:sc= -0.252 F(o=-1.1,f=-0.25) USER MOD Single : B 52 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot -78:sc= 1.25 USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.223 USER MOD Single : B 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00778) USER MOD Single : B 60 LYS NZ :NH3+ -166:sc= -0.0234 (180deg=-0.208) USER MOD Single : B 62 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.2!) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 69 MET CE :methyl 180:sc= -1.59 (180deg=-1.59) USER MOD Single : B 72 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.14) USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 THR OG1 : rot -150:sc= 0.464 USER MOD Single : B 80 THR OG1 : rot 65:sc= 1.25 USER MOD Single : B 84 SER OG : rot 180:sc= 0 USER MOD Single : B 91 LYS NZ :NH3+ 166:sc= -0.0226 (180deg=-0.232) USER MOD Single : B 96 LYS NZ :NH3+ 139:sc= 0.894 (180deg=-0.36!) USER MOD Single : B 97 HIS :FLIP no HD1:sc= -0.343 F(o=-1.5,f=-0.34) USER MOD Single : B -10 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B -11 HIS : no HE2:sc= -1.03! C(o=-1!,f=-5.8!) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : B -14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -14 MET N :NH3+ -173:sc= 0 (180deg=-0.0551) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -14 27.976 -15.027 11.443 1.00 0.00 N ATOM 2 CA MET B -14 27.787 -13.707 10.798 1.00 0.00 C ATOM 3 C MET B -14 28.711 -12.668 11.420 1.00 0.00 C ATOM 4 O MET B -14 28.291 -11.859 12.250 1.00 0.00 O ATOM 5 CB MET B -14 26.330 -13.247 10.918 1.00 0.00 C ATOM 6 CG MET B -14 25.338 -14.150 10.201 1.00 0.00 C ATOM 7 SD MET B -14 25.679 -14.292 8.435 1.00 0.00 S ATOM 8 CE MET B -14 24.330 -15.352 7.921 1.00 0.00 C ATOM 0 H1 MET B -14 27.427 -15.746 10.930 1.00 0.00 H new ATOM 0 H2 MET B -14 28.984 -15.282 11.423 1.00 0.00 H new ATOM 0 H3 MET B -14 27.650 -14.981 12.429 1.00 0.00 H new ATOM 0 HA MET B -14 28.035 -13.811 9.742 1.00 0.00 H new ATOM 0 HB2 MET B -14 26.062 -13.194 11.973 1.00 0.00 H new ATOM 0 HB3 MET B -14 26.244 -12.237 10.516 1.00 0.00 H new ATOM 0 HG2 MET B -14 25.363 -15.142 10.653 1.00 0.00 H new ATOM 0 HG3 MET B -14 24.330 -13.760 10.342 1.00 0.00 H new ATOM 0 HE1 MET B -14 24.399 -15.535 6.849 1.00 0.00 H new ATOM 0 HE2 MET B -14 24.388 -16.300 8.456 1.00 0.00 H new ATOM 0 HE3 MET B -14 23.380 -14.867 8.146 1.00 0.00 H new ATOM 20 N ALA B -13 29.972 -12.703 11.021 1.00 0.00 N ATOM 21 CA ALA B -13 30.954 -11.742 11.491 1.00 0.00 C ATOM 22 C ALA B -13 31.791 -11.247 10.322 1.00 0.00 C ATOM 23 O ALA B -13 32.535 -12.017 9.718 1.00 0.00 O ATOM 24 CB ALA B -13 31.843 -12.364 12.556 1.00 0.00 C ATOM 0 H ALA B -13 30.341 -13.393 10.367 1.00 0.00 H new ATOM 0 HA ALA B -13 30.432 -10.895 11.936 1.00 0.00 H new ATOM 0 HB1 ALA B -13 32.572 -11.629 12.896 1.00 0.00 H new ATOM 0 HB2 ALA B -13 31.231 -12.685 13.399 1.00 0.00 H new ATOM 0 HB3 ALA B -13 32.364 -13.225 12.138 1.00 0.00 H new ATOM 30 N HIS B -12 31.653 -9.966 10.000 1.00 0.00 N ATOM 31 CA HIS B -12 32.368 -9.374 8.871 1.00 0.00 C ATOM 32 C HIS B -12 33.871 -9.393 9.106 1.00 0.00 C ATOM 33 O HIS B -12 34.653 -9.454 8.161 1.00 0.00 O ATOM 34 CB HIS B -12 31.913 -7.932 8.625 1.00 0.00 C ATOM 35 CG HIS B -12 30.505 -7.804 8.132 1.00 0.00 C ATOM 36 ND1 HIS B -12 29.472 -7.343 8.916 1.00 0.00 N ATOM 37 CD2 HIS B -12 29.967 -8.057 6.916 1.00 0.00 C ATOM 38 CE1 HIS B -12 28.360 -7.317 8.206 1.00 0.00 C ATOM 39 NE2 HIS B -12 28.632 -7.746 6.988 1.00 0.00 N ATOM 0 H HIS B -12 31.052 -9.315 10.505 1.00 0.00 H new ATOM 0 HA HIS B -12 32.137 -9.975 7.992 1.00 0.00 H new ATOM 0 HB2 HIS B -12 32.013 -7.369 9.553 1.00 0.00 H new ATOM 0 HB3 HIS B -12 32.583 -7.471 7.899 1.00 0.00 H new ATOM 0 HD2 HIS B -12 30.491 -8.434 6.050 1.00 0.00 H new ATOM 0 HE1 HIS B -12 27.391 -6.999 8.562 1.00 0.00 H new ATOM 0 HE2 HIS B -12 27.960 -7.832 6.225 1.00 0.00 H new ATOM 48 N HIS B -11 34.260 -9.341 10.370 1.00 0.00 N ATOM 49 CA HIS B -11 35.666 -9.327 10.753 1.00 0.00 C ATOM 50 C HIS B -11 36.306 -10.699 10.521 1.00 0.00 C ATOM 51 O HIS B -11 36.448 -11.498 11.450 1.00 0.00 O ATOM 52 CB HIS B -11 35.788 -8.911 12.224 1.00 0.00 C ATOM 53 CG HIS B -11 37.191 -8.655 12.686 1.00 0.00 C ATOM 54 ND1 HIS B -11 37.778 -7.409 12.657 1.00 0.00 N ATOM 55 CD2 HIS B -11 38.114 -9.488 13.219 1.00 0.00 C ATOM 56 CE1 HIS B -11 38.996 -7.487 13.151 1.00 0.00 C ATOM 57 NE2 HIS B -11 39.225 -8.737 13.498 1.00 0.00 N ATOM 0 H HIS B -11 33.614 -9.307 11.158 1.00 0.00 H new ATOM 0 HA HIS B -11 36.198 -8.605 10.133 1.00 0.00 H new ATOM 0 HB2 HIS B -11 35.197 -8.009 12.383 1.00 0.00 H new ATOM 0 HB3 HIS B -11 35.351 -9.692 12.846 1.00 0.00 H new ATOM 0 HD1 HIS B -11 37.337 -6.558 12.307 1.00 0.00 H new ATOM 0 HD2 HIS B -11 37.997 -10.548 13.392 1.00 0.00 H new ATOM 0 HE1 HIS B -11 39.690 -6.666 13.254 1.00 0.00 H new ATOM 66 N HIS B -10 36.672 -10.974 9.275 1.00 0.00 N ATOM 67 CA HIS B -10 37.334 -12.226 8.926 1.00 0.00 C ATOM 68 C HIS B -10 38.839 -12.023 8.802 1.00 0.00 C ATOM 69 O HIS B -10 39.590 -12.322 9.727 1.00 0.00 O ATOM 70 CB HIS B -10 36.785 -12.802 7.617 1.00 0.00 C ATOM 71 CG HIS B -10 35.395 -13.340 7.718 1.00 0.00 C ATOM 72 ND1 HIS B -10 34.385 -12.978 6.855 1.00 0.00 N ATOM 73 CD2 HIS B -10 34.855 -14.243 8.566 1.00 0.00 C ATOM 74 CE1 HIS B -10 33.288 -13.634 7.168 1.00 0.00 C ATOM 75 NE2 HIS B -10 33.544 -14.409 8.202 1.00 0.00 N ATOM 0 H HIS B -10 36.521 -10.345 8.487 1.00 0.00 H new ATOM 0 HA HIS B -10 37.132 -12.935 9.729 1.00 0.00 H new ATOM 0 HB2 HIS B -10 36.806 -12.024 6.854 1.00 0.00 H new ATOM 0 HB3 HIS B -10 37.447 -13.599 7.278 1.00 0.00 H new ATOM 0 HD2 HIS B -10 35.362 -14.741 9.379 1.00 0.00 H new ATOM 0 HE1 HIS B -10 32.337 -13.551 6.662 1.00 0.00 H new ATOM 0 HE2 HIS B -10 32.876 -15.031 8.657 1.00 0.00 H new ATOM 84 N HIS B -9 39.274 -11.505 7.660 1.00 0.00 N ATOM 85 CA HIS B -9 40.695 -11.278 7.426 1.00 0.00 C ATOM 86 C HIS B -9 41.057 -9.836 7.749 1.00 0.00 C ATOM 87 O HIS B -9 42.194 -9.539 8.120 1.00 0.00 O ATOM 88 CB HIS B -9 41.069 -11.596 5.974 1.00 0.00 C ATOM 89 CG HIS B -9 42.548 -11.560 5.720 1.00 0.00 C ATOM 90 ND1 HIS B -9 43.214 -10.443 5.263 1.00 0.00 N ATOM 91 CD2 HIS B -9 43.492 -12.514 5.881 1.00 0.00 C ATOM 92 CE1 HIS B -9 44.501 -10.712 5.157 1.00 0.00 C ATOM 93 NE2 HIS B -9 44.699 -11.962 5.526 1.00 0.00 N ATOM 0 H HIS B -9 38.668 -11.235 6.885 1.00 0.00 H new ATOM 0 HA HIS B -9 41.257 -11.944 8.081 1.00 0.00 H new ATOM 0 HB2 HIS B -9 40.687 -12.584 5.716 1.00 0.00 H new ATOM 0 HB3 HIS B -9 40.577 -10.881 5.314 1.00 0.00 H new ATOM 0 HD2 HIS B -9 43.328 -13.524 6.225 1.00 0.00 H new ATOM 0 HE1 HIS B -9 45.264 -10.024 4.824 1.00 0.00 H new ATOM 0 HE2 HIS B -9 45.600 -12.440 5.545 1.00 0.00 H new ATOM 102 N HIS B -8 40.085 -8.945 7.606 1.00 0.00 N ATOM 103 CA HIS B -8 40.302 -7.532 7.883 1.00 0.00 C ATOM 104 C HIS B -8 40.441 -7.313 9.381 1.00 0.00 C ATOM 105 O HIS B -8 39.463 -7.389 10.120 1.00 0.00 O ATOM 106 CB HIS B -8 39.154 -6.676 7.335 1.00 0.00 C ATOM 107 CG HIS B -8 39.119 -6.577 5.839 1.00 0.00 C ATOM 108 ND1 HIS B -8 39.318 -5.396 5.158 1.00 0.00 N ATOM 109 CD2 HIS B -8 38.892 -7.516 4.892 1.00 0.00 C ATOM 110 CE1 HIS B -8 39.213 -5.613 3.863 1.00 0.00 C ATOM 111 NE2 HIS B -8 38.955 -6.892 3.672 1.00 0.00 N ATOM 0 H HIS B -8 39.140 -9.176 7.300 1.00 0.00 H new ATOM 0 HA HIS B -8 41.222 -7.226 7.384 1.00 0.00 H new ATOM 0 HB2 HIS B -8 38.208 -7.092 7.682 1.00 0.00 H new ATOM 0 HB3 HIS B -8 39.233 -5.672 7.752 1.00 0.00 H new ATOM 0 HD2 HIS B -8 38.697 -8.564 5.065 1.00 0.00 H new ATOM 0 HE1 HIS B -8 39.320 -4.869 3.088 1.00 0.00 H new ATOM 0 HE2 HIS B -8 38.824 -7.343 2.767 1.00 0.00 H new ATOM 120 N HIS B -7 41.664 -7.054 9.821 1.00 0.00 N ATOM 121 CA HIS B -7 41.941 -6.878 11.240 1.00 0.00 C ATOM 122 C HIS B -7 41.793 -5.414 11.641 1.00 0.00 C ATOM 123 O HIS B -7 41.700 -5.089 12.824 1.00 0.00 O ATOM 124 CB HIS B -7 43.342 -7.406 11.595 1.00 0.00 C ATOM 125 CG HIS B -7 44.470 -6.721 10.879 1.00 0.00 C ATOM 126 ND1 HIS B -7 45.218 -5.651 11.228 1.00 0.00 N flip ATOM 127 CD2 HIS B -7 44.944 -7.128 9.651 1.00 0.00 C flip ATOM 128 CE1 HIS B -7 46.116 -5.430 10.216 1.00 0.00 C flip ATOM 129 NE2 HIS B -7 45.930 -6.335 9.278 1.00 0.00 N flip ATOM 0 H HIS B -7 42.480 -6.961 9.216 1.00 0.00 H new ATOM 0 HA HIS B -7 41.211 -7.459 11.803 1.00 0.00 H new ATOM 0 HB2 HIS B -7 43.494 -7.300 12.669 1.00 0.00 H new ATOM 0 HB3 HIS B -7 43.381 -8.472 11.371 1.00 0.00 H new ATOM 0 HD2 HIS B -7 44.567 -7.965 9.083 1.00 0.00 H new ATOM 0 HE1 HIS B -7 46.855 -4.643 10.192 1.00 0.00 H new ATOM 0 HE2 HIS B -7 46.459 -6.410 8.409 1.00 0.00 H new ATOM 138 N VAL B -6 41.772 -4.536 10.647 1.00 0.00 N ATOM 139 CA VAL B -6 41.578 -3.110 10.882 1.00 0.00 C ATOM 140 C VAL B -6 40.531 -2.544 9.935 1.00 0.00 C ATOM 141 O VAL B -6 40.075 -3.234 9.018 1.00 0.00 O ATOM 142 CB VAL B -6 42.885 -2.303 10.722 1.00 0.00 C ATOM 143 CG1 VAL B -6 43.802 -2.519 11.915 1.00 0.00 C ATOM 144 CG2 VAL B -6 43.591 -2.670 9.426 1.00 0.00 C ATOM 0 H VAL B -6 41.887 -4.787 9.665 1.00 0.00 H new ATOM 0 HA VAL B -6 41.240 -3.013 11.914 1.00 0.00 H new ATOM 0 HB VAL B -6 42.627 -1.245 10.680 1.00 0.00 H new ATOM 0 HG11 VAL B -6 44.716 -1.941 11.781 1.00 0.00 H new ATOM 0 HG12 VAL B -6 43.298 -2.194 12.825 1.00 0.00 H new ATOM 0 HG13 VAL B -6 44.050 -3.577 11.996 1.00 0.00 H new ATOM 0 HG21 VAL B -6 44.509 -2.089 9.335 1.00 0.00 H new ATOM 0 HG22 VAL B -6 43.833 -3.733 9.432 1.00 0.00 H new ATOM 0 HG23 VAL B -6 42.938 -2.451 8.581 1.00 0.00 H new ATOM 154 N ASP B -5 40.160 -1.288 10.173 1.00 0.00 N ATOM 155 CA ASP B -5 39.175 -0.579 9.356 1.00 0.00 C ATOM 156 C ASP B -5 37.810 -1.247 9.433 1.00 0.00 C ATOM 157 O ASP B -5 37.098 -1.348 8.433 1.00 0.00 O ATOM 158 CB ASP B -5 39.626 -0.474 7.895 1.00 0.00 C ATOM 159 CG ASP B -5 40.747 0.526 7.703 1.00 0.00 C ATOM 160 OD1 ASP B -5 41.927 0.128 7.786 1.00 0.00 O ATOM 161 OD2 ASP B -5 40.453 1.717 7.464 1.00 0.00 O1- ATOM 0 H ASP B -5 40.535 -0.730 10.940 1.00 0.00 H new ATOM 0 HA ASP B -5 39.092 0.429 9.762 1.00 0.00 H new ATOM 0 HB2 ASP B -5 39.955 -1.454 7.549 1.00 0.00 H new ATOM 0 HB3 ASP B -5 38.776 -0.185 7.276 1.00 0.00 H new ATOM 166 N ASP B -4 37.448 -1.709 10.620 1.00 0.00 N ATOM 167 CA ASP B -4 36.130 -2.295 10.835 1.00 0.00 C ATOM 168 C ASP B -4 35.080 -1.200 10.897 1.00 0.00 C ATOM 169 O ASP B -4 34.022 -1.298 10.277 1.00 0.00 O ATOM 170 CB ASP B -4 36.084 -3.106 12.133 1.00 0.00 C ATOM 171 CG ASP B -4 36.883 -4.390 12.073 1.00 0.00 C ATOM 172 OD1 ASP B -4 38.009 -4.417 12.613 1.00 0.00 O ATOM 173 OD2 ASP B -4 36.376 -5.389 11.518 1.00 0.00 O1- ATOM 0 H ASP B -4 38.044 -1.691 11.447 1.00 0.00 H new ATOM 0 HA ASP B -4 35.925 -2.964 9.999 1.00 0.00 H new ATOM 0 HB2 ASP B -4 36.461 -2.491 12.950 1.00 0.00 H new ATOM 0 HB3 ASP B -4 35.046 -3.344 12.366 1.00 0.00 H new ATOM 178 N ASP B -3 35.392 -0.150 11.640 1.00 0.00 N ATOM 179 CA ASP B -3 34.461 0.951 11.850 1.00 0.00 C ATOM 180 C ASP B -3 34.329 1.791 10.590 1.00 0.00 C ATOM 181 O ASP B -3 35.328 2.118 9.944 1.00 0.00 O ATOM 182 CB ASP B -3 34.929 1.839 13.007 1.00 0.00 C ATOM 183 CG ASP B -3 35.159 1.068 14.291 1.00 0.00 C ATOM 184 OD1 ASP B -3 36.334 0.920 14.698 1.00 0.00 O ATOM 185 OD2 ASP B -3 34.172 0.605 14.901 1.00 0.00 O1- ATOM 0 H ASP B -3 36.289 -0.036 12.111 1.00 0.00 H new ATOM 0 HA ASP B -3 33.489 0.524 12.097 1.00 0.00 H new ATOM 0 HB2 ASP B -3 35.853 2.341 12.721 1.00 0.00 H new ATOM 0 HB3 ASP B -3 34.186 2.616 13.185 1.00 0.00 H new ATOM 190 N ASP B -2 33.100 2.133 10.236 1.00 0.00 N ATOM 191 CA ASP B -2 32.847 2.979 9.075 1.00 0.00 C ATOM 192 C ASP B -2 31.655 3.884 9.344 1.00 0.00 C ATOM 193 O ASP B -2 30.837 3.602 10.218 1.00 0.00 O ATOM 194 CB ASP B -2 32.589 2.136 7.816 1.00 0.00 C ATOM 195 CG ASP B -2 31.206 1.516 7.789 1.00 0.00 C ATOM 196 OD1 ASP B -2 30.294 2.111 7.172 1.00 0.00 O ATOM 197 OD2 ASP B -2 31.021 0.429 8.377 1.00 0.00 O1- ATOM 0 H ASP B -2 32.260 1.839 10.735 1.00 0.00 H new ATOM 0 HA ASP B -2 33.734 3.587 8.900 1.00 0.00 H new ATOM 0 HB2 ASP B -2 32.717 2.763 6.934 1.00 0.00 H new ATOM 0 HB3 ASP B -2 33.337 1.345 7.756 1.00 0.00 H new ATOM 202 N LYS B -1 31.563 4.971 8.599 1.00 0.00 N ATOM 203 CA LYS B -1 30.475 5.922 8.764 1.00 0.00 C ATOM 204 C LYS B -1 29.670 6.026 7.476 1.00 0.00 C ATOM 205 O LYS B -1 29.024 7.038 7.204 1.00 0.00 O ATOM 206 CB LYS B -1 31.024 7.295 9.162 1.00 0.00 C ATOM 207 CG LYS B -1 31.831 7.282 10.453 1.00 0.00 C ATOM 208 CD LYS B -1 32.341 8.669 10.805 1.00 0.00 C ATOM 209 CE LYS B -1 33.232 8.647 12.039 1.00 0.00 C ATOM 210 NZ LYS B -1 32.515 8.161 13.248 1.00 0.00 N1+ ATOM 0 H LYS B -1 32.232 5.219 7.870 1.00 0.00 H new ATOM 0 HA LYS B -1 29.818 5.569 9.559 1.00 0.00 H new ATOM 0 HB2 LYS B -1 31.652 7.673 8.355 1.00 0.00 H new ATOM 0 HB3 LYS B -1 30.192 7.991 9.271 1.00 0.00 H new ATOM 0 HG2 LYS B -1 31.212 6.904 11.266 1.00 0.00 H new ATOM 0 HG3 LYS B -1 32.674 6.599 10.350 1.00 0.00 H new ATOM 0 HD2 LYS B -1 32.898 9.076 9.961 1.00 0.00 H new ATOM 0 HD3 LYS B -1 31.495 9.334 10.979 1.00 0.00 H new ATOM 0 HE2 LYS B -1 34.094 8.008 11.850 1.00 0.00 H new ATOM 0 HE3 LYS B -1 33.614 9.651 12.226 1.00 0.00 H new ATOM 0 HZ1 LYS B -1 33.125 8.276 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS B -1 31.642 8.711 13.379 1.00 0.00 H new ATOM 0 HZ3 LYS B -1 32.276 7.156 13.129 1.00 0.00 H new ATOM 224 N MET B 0 29.707 4.961 6.689 1.00 0.00 N ATOM 225 CA MET B 0 29.025 4.937 5.403 1.00 0.00 C ATOM 226 C MET B 0 27.600 4.428 5.570 1.00 0.00 C ATOM 227 O MET B 0 27.273 3.319 5.147 1.00 0.00 O ATOM 228 CB MET B 0 29.784 4.055 4.409 1.00 0.00 C ATOM 229 CG MET B 0 31.181 4.558 4.088 1.00 0.00 C ATOM 230 SD MET B 0 32.093 3.423 3.023 1.00 0.00 S ATOM 231 CE MET B 0 33.637 4.313 2.832 1.00 0.00 C ATOM 0 H MET B 0 30.203 4.100 6.919 1.00 0.00 H new ATOM 0 HA MET B 0 28.993 5.954 5.012 1.00 0.00 H new ATOM 0 HB2 MET B 0 29.855 3.045 4.814 1.00 0.00 H new ATOM 0 HB3 MET B 0 29.210 3.988 3.485 1.00 0.00 H new ATOM 0 HG2 MET B 0 31.111 5.531 3.602 1.00 0.00 H new ATOM 0 HG3 MET B 0 31.734 4.704 5.016 1.00 0.00 H new ATOM 0 HE1 MET B 0 34.312 3.739 2.197 1.00 0.00 H new ATOM 0 HE2 MET B 0 33.444 5.283 2.373 1.00 0.00 H new ATOM 0 HE3 MET B 0 34.096 4.459 3.810 1.00 0.00 H new ATOM 241 N GLU B 1 26.756 5.240 6.190 1.00 0.00 N ATOM 242 CA GLU B 1 25.371 4.864 6.432 1.00 0.00 C ATOM 243 C GLU B 1 24.468 5.434 5.343 1.00 0.00 C ATOM 244 O GLU B 1 23.414 6.008 5.627 1.00 0.00 O ATOM 245 CB GLU B 1 24.915 5.358 7.805 1.00 0.00 C ATOM 246 CG GLU B 1 25.793 4.881 8.947 1.00 0.00 C ATOM 247 CD GLU B 1 25.299 5.360 10.292 1.00 0.00 C ATOM 248 OE1 GLU B 1 24.827 4.522 11.091 1.00 0.00 O ATOM 249 OE2 GLU B 1 25.370 6.575 10.557 1.00 0.00 O1- ATOM 0 H GLU B 1 27.007 6.166 6.535 1.00 0.00 H new ATOM 0 HA GLU B 1 25.301 3.776 6.412 1.00 0.00 H new ATOM 0 HB2 GLU B 1 24.898 6.448 7.802 1.00 0.00 H new ATOM 0 HB3 GLU B 1 23.892 5.024 7.980 1.00 0.00 H new ATOM 0 HG2 GLU B 1 25.829 3.792 8.943 1.00 0.00 H new ATOM 0 HG3 GLU B 1 26.812 5.234 8.790 1.00 0.00 H new ATOM 256 N ASP B 2 24.894 5.277 4.100 1.00 0.00 N ATOM 257 CA ASP B 2 24.135 5.771 2.959 1.00 0.00 C ATOM 258 C ASP B 2 23.059 4.770 2.563 1.00 0.00 C ATOM 259 O ASP B 2 22.929 3.709 3.177 1.00 0.00 O ATOM 260 CB ASP B 2 25.060 6.040 1.767 1.00 0.00 C ATOM 261 CG ASP B 2 25.734 4.783 1.246 1.00 0.00 C ATOM 262 OD1 ASP B 2 25.186 4.148 0.322 1.00 0.00 O ATOM 263 OD2 ASP B 2 26.826 4.434 1.750 1.00 0.00 O1- ATOM 0 H ASP B 2 25.766 4.809 3.853 1.00 0.00 H new ATOM 0 HA ASP B 2 23.659 6.707 3.249 1.00 0.00 H new ATOM 0 HB2 ASP B 2 24.484 6.497 0.963 1.00 0.00 H new ATOM 0 HB3 ASP B 2 25.823 6.760 2.061 1.00 0.00 H new ATOM 268 N THR B 3 22.281 5.113 1.552 1.00 0.00 N ATOM 269 CA THR B 3 21.236 4.234 1.063 1.00 0.00 C ATOM 270 C THR B 3 21.085 4.370 -0.450 1.00 0.00 C ATOM 271 O THR B 3 20.126 4.965 -0.945 1.00 0.00 O ATOM 272 CB THR B 3 19.883 4.534 1.747 1.00 0.00 C ATOM 273 OG1 THR B 3 20.053 4.574 3.171 1.00 0.00 O ATOM 274 CG2 THR B 3 18.844 3.475 1.395 1.00 0.00 C ATOM 0 H THR B 3 22.355 5.999 1.052 1.00 0.00 H new ATOM 0 HA THR B 3 21.528 3.212 1.306 1.00 0.00 H new ATOM 0 HB THR B 3 19.532 5.501 1.388 1.00 0.00 H new ATOM 0 HG1 THR B 3 19.192 4.766 3.598 1.00 0.00 H new ATOM 0 HG21 THR B 3 17.902 3.711 1.890 1.00 0.00 H new ATOM 0 HG22 THR B 3 18.693 3.458 0.316 1.00 0.00 H new ATOM 0 HG23 THR B 3 19.194 2.498 1.728 1.00 0.00 H new ATOM 282 N ALA B 4 22.053 3.844 -1.183 1.00 0.00 N ATOM 283 CA ALA B 4 21.954 3.796 -2.632 1.00 0.00 C ATOM 284 C ALA B 4 20.953 2.723 -3.026 1.00 0.00 C ATOM 285 O ALA B 4 20.106 2.924 -3.899 1.00 0.00 O ATOM 286 CB ALA B 4 23.312 3.522 -3.256 1.00 0.00 C ATOM 0 H ALA B 4 22.911 3.447 -0.801 1.00 0.00 H new ATOM 0 HA ALA B 4 21.611 4.762 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA B 4 23.214 3.490 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA B 4 24.007 4.314 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA B 4 23.691 2.565 -2.898 1.00 0.00 H new ATOM 292 N ASN B 5 21.051 1.586 -2.359 1.00 0.00 N ATOM 293 CA ASN B 5 20.107 0.504 -2.556 1.00 0.00 C ATOM 294 C ASN B 5 19.195 0.410 -1.345 1.00 0.00 C ATOM 295 O ASN B 5 19.650 0.118 -0.238 1.00 0.00 O ATOM 296 CB ASN B 5 20.826 -0.826 -2.770 1.00 0.00 C ATOM 297 CG ASN B 5 21.851 -0.762 -3.885 1.00 0.00 C ATOM 298 OD1 ASN B 5 23.025 -0.472 -3.650 1.00 0.00 O ATOM 299 ND2 ASN B 5 21.418 -1.027 -5.105 1.00 0.00 N ATOM 0 H ASN B 5 21.780 1.389 -1.673 1.00 0.00 H new ATOM 0 HA ASN B 5 19.519 0.714 -3.450 1.00 0.00 H new ATOM 0 HB2 ASN B 5 21.320 -1.121 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN B 5 20.092 -1.599 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN B 5 22.064 -0.995 -5.894 1.00 0.00 H new ATOM 0 HD22 ASN B 5 20.438 -1.263 -5.258 1.00 0.00 H new ATOM 306 N PRO B 6 17.902 0.679 -1.539 1.00 0.00 N ATOM 307 CA PRO B 6 16.918 0.683 -0.457 1.00 0.00 C ATOM 308 C PRO B 6 16.569 -0.726 0.012 1.00 0.00 C ATOM 309 O PRO B 6 16.428 -1.647 -0.795 1.00 0.00 O ATOM 310 CB PRO B 6 15.702 1.359 -1.095 1.00 0.00 C ATOM 311 CG PRO B 6 15.823 1.064 -2.550 1.00 0.00 C ATOM 312 CD PRO B 6 17.297 0.992 -2.844 1.00 0.00 C ATOM 0 HA PRO B 6 17.286 1.192 0.434 1.00 0.00 H new ATOM 0 HB2 PRO B 6 14.771 0.965 -0.687 1.00 0.00 H new ATOM 0 HB3 PRO B 6 15.703 2.433 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO B 6 15.330 0.124 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO B 6 15.345 1.842 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO B 6 17.520 0.222 -3.583 1.00 0.00 H new ATOM 0 HD3 PRO B 6 17.672 1.935 -3.243 1.00 0.00 H new ATOM 320 N ASN B 7 16.450 -0.891 1.320 1.00 0.00 N ATOM 321 CA ASN B 7 16.096 -2.181 1.900 1.00 0.00 C ATOM 322 C ASN B 7 14.584 -2.364 1.864 1.00 0.00 C ATOM 323 O ASN B 7 14.072 -3.485 1.886 1.00 0.00 O ATOM 324 CB ASN B 7 16.616 -2.274 3.339 1.00 0.00 C ATOM 325 CG ASN B 7 16.356 -3.628 3.975 1.00 0.00 C ATOM 326 OD1 ASN B 7 15.320 -3.844 4.604 1.00 0.00 O ATOM 327 ND2 ASN B 7 17.297 -4.548 3.821 1.00 0.00 N ATOM 0 H ASN B 7 16.593 -0.147 2.003 1.00 0.00 H new ATOM 0 HA ASN B 7 16.560 -2.976 1.316 1.00 0.00 H new ATOM 0 HB2 ASN B 7 17.688 -2.075 3.346 1.00 0.00 H new ATOM 0 HB3 ASN B 7 16.143 -1.498 3.942 1.00 0.00 H new ATOM 0 HD21 ASN B 7 17.177 -5.474 4.231 1.00 0.00 H new ATOM 0 HD22 ASN B 7 18.142 -4.330 3.292 1.00 0.00 H new ATOM 334 N GLU B 8 13.881 -1.248 1.788 1.00 0.00 N ATOM 335 CA GLU B 8 12.431 -1.244 1.735 1.00 0.00 C ATOM 336 C GLU B 8 11.957 -0.603 0.432 1.00 0.00 C ATOM 337 O GLU B 8 12.756 -0.340 -0.469 1.00 0.00 O ATOM 338 CB GLU B 8 11.857 -0.488 2.937 1.00 0.00 C ATOM 339 CG GLU B 8 12.137 1.004 2.912 1.00 0.00 C ATOM 340 CD GLU B 8 13.574 1.354 3.250 1.00 0.00 C ATOM 341 OE1 GLU B 8 14.432 1.332 2.341 1.00 0.00 O ATOM 342 OE2 GLU B 8 13.856 1.652 4.428 1.00 0.00 O1- ATOM 0 H GLU B 8 14.300 -0.319 1.761 1.00 0.00 H new ATOM 0 HA GLU B 8 12.076 -2.274 1.771 1.00 0.00 H new ATOM 0 HB2 GLU B 8 10.779 -0.646 2.973 1.00 0.00 H new ATOM 0 HB3 GLU B 8 12.271 -0.911 3.852 1.00 0.00 H new ATOM 0 HG2 GLU B 8 11.899 1.394 1.922 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.474 1.502 3.619 1.00 0.00 H new ATOM 349 N MET B 9 10.660 -0.359 0.333 1.00 0.00 N ATOM 350 CA MET B 9 10.095 0.301 -0.831 1.00 0.00 C ATOM 351 C MET B 9 9.869 1.771 -0.512 1.00 0.00 C ATOM 352 O MET B 9 9.706 2.138 0.647 1.00 0.00 O ATOM 353 CB MET B 9 8.767 -0.351 -1.240 1.00 0.00 C ATOM 354 CG MET B 9 7.725 -0.381 -0.131 1.00 0.00 C ATOM 355 SD MET B 9 7.892 -1.809 0.960 1.00 0.00 S ATOM 356 CE MET B 9 7.378 -3.129 -0.136 1.00 0.00 C ATOM 0 H MET B 9 9.977 -0.610 1.048 1.00 0.00 H new ATOM 0 HA MET B 9 10.793 0.204 -1.663 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.358 0.188 -2.095 1.00 0.00 H new ATOM 0 HB3 MET B 9 8.961 -1.372 -1.570 1.00 0.00 H new ATOM 0 HG2 MET B 9 7.806 0.531 0.460 1.00 0.00 H new ATOM 0 HG3 MET B 9 6.730 -0.386 -0.576 1.00 0.00 H new ATOM 0 HE1 MET B 9 7.034 -3.979 0.454 1.00 0.00 H new ATOM 0 HE2 MET B 9 6.567 -2.778 -0.773 1.00 0.00 H new ATOM 0 HE3 MET B 9 8.220 -3.435 -0.757 1.00 0.00 H new ATOM 366 N THR B 10 9.880 2.615 -1.528 1.00 0.00 N ATOM 367 CA THR B 10 9.670 4.036 -1.314 1.00 0.00 C ATOM 368 C THR B 10 8.186 4.335 -1.159 1.00 0.00 C ATOM 369 O THR B 10 7.350 3.505 -1.527 1.00 0.00 O ATOM 370 CB THR B 10 10.240 4.876 -2.471 1.00 0.00 C ATOM 371 OG1 THR B 10 9.693 4.425 -3.715 1.00 0.00 O ATOM 372 CG2 THR B 10 11.757 4.783 -2.518 1.00 0.00 C ATOM 0 H THR B 10 10.030 2.345 -2.500 1.00 0.00 H new ATOM 0 HA THR B 10 10.198 4.307 -0.400 1.00 0.00 H new ATOM 0 HB THR B 10 9.963 5.917 -2.304 1.00 0.00 H new ATOM 0 HG1 THR B 10 10.058 4.964 -4.447 1.00 0.00 H new ATOM 0 HG21 THR B 10 12.133 5.386 -3.345 1.00 0.00 H new ATOM 0 HG22 THR B 10 12.173 5.152 -1.581 1.00 0.00 H new ATOM 0 HG23 THR B 10 12.054 3.744 -2.662 1.00 0.00 H new ATOM 380 N LYS B 11 7.858 5.501 -0.614 1.00 0.00 N ATOM 381 CA LYS B 11 6.465 5.881 -0.399 1.00 0.00 C ATOM 382 C LYS B 11 5.656 5.758 -1.686 1.00 0.00 C ATOM 383 O LYS B 11 4.571 5.178 -1.696 1.00 0.00 O ATOM 384 CB LYS B 11 6.380 7.313 0.150 1.00 0.00 C ATOM 385 CG LYS B 11 6.996 8.368 -0.762 1.00 0.00 C ATOM 386 CD LYS B 11 7.065 9.734 -0.093 1.00 0.00 C ATOM 387 CE LYS B 11 5.693 10.234 0.331 1.00 0.00 C ATOM 388 NZ LYS B 11 5.762 11.585 0.948 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.537 6.200 -0.313 1.00 0.00 H new ATOM 0 HA LYS B 11 6.039 5.197 0.334 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.333 7.563 0.321 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.879 7.349 1.118 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.999 8.055 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.409 8.442 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.715 9.677 0.780 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.515 10.451 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS B 11 5.034 10.264 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.254 9.533 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.816 12.017 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 6.101 11.502 1.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.417 12.182 0.404 1.00 0.00 H new ATOM 402 N ASP B 12 6.221 6.254 -2.774 1.00 0.00 N ATOM 403 CA ASP B 12 5.510 6.339 -4.037 1.00 0.00 C ATOM 404 C ASP B 12 5.376 4.961 -4.670 1.00 0.00 C ATOM 405 O ASP B 12 4.319 4.605 -5.193 1.00 0.00 O ATOM 406 CB ASP B 12 6.251 7.291 -4.974 1.00 0.00 C ATOM 407 CG ASP B 12 5.410 7.739 -6.151 1.00 0.00 C ATOM 408 OD1 ASP B 12 5.245 6.956 -7.107 1.00 0.00 O ATOM 409 OD2 ASP B 12 4.924 8.893 -6.131 1.00 0.00 O1- ATOM 0 H ASP B 12 7.178 6.606 -2.807 1.00 0.00 H new ATOM 0 HA ASP B 12 4.506 6.724 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.574 8.167 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.151 6.800 -5.344 1.00 0.00 H new ATOM 414 N ALA B 13 6.446 4.177 -4.599 1.00 0.00 N ATOM 415 CA ALA B 13 6.446 2.836 -5.161 1.00 0.00 C ATOM 416 C ALA B 13 5.499 1.924 -4.396 1.00 0.00 C ATOM 417 O ALA B 13 4.761 1.138 -4.994 1.00 0.00 O ATOM 418 CB ALA B 13 7.847 2.259 -5.158 1.00 0.00 C ATOM 0 H ALA B 13 7.324 4.449 -4.157 1.00 0.00 H new ATOM 0 HA ALA B 13 6.097 2.903 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA B 13 7.828 1.255 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.503 2.893 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.220 2.214 -4.135 1.00 0.00 H new ATOM 424 N TRP B 14 5.519 2.038 -3.070 1.00 0.00 N ATOM 425 CA TRP B 14 4.606 1.283 -2.229 1.00 0.00 C ATOM 426 C TRP B 14 3.175 1.573 -2.642 1.00 0.00 C ATOM 427 O TRP B 14 2.410 0.660 -2.920 1.00 0.00 O ATOM 428 CB TRP B 14 4.806 1.633 -0.753 1.00 0.00 C ATOM 429 CG TRP B 14 3.827 0.954 0.164 1.00 0.00 C ATOM 430 CD1 TRP B 14 3.845 -0.350 0.567 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.685 1.552 0.789 1.00 0.00 C ATOM 432 NE1 TRP B 14 2.786 -0.598 1.408 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.060 0.556 1.562 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.134 2.834 0.771 1.00 0.00 C ATOM 435 CZ2 TRP B 14 0.909 0.808 2.310 1.00 0.00 C ATOM 436 CZ3 TRP B 14 0.993 3.084 1.511 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.392 2.076 2.273 1.00 0.00 C ATOM 0 H TRP B 14 6.159 2.647 -2.559 1.00 0.00 H new ATOM 0 HA TRP B 14 4.814 0.221 -2.357 1.00 0.00 H new ATOM 0 HB2 TRP B 14 5.819 1.359 -0.457 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.719 2.712 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP B 14 4.583 -1.080 0.269 1.00 0.00 H new ATOM 0 HE1 TRP B 14 2.574 -1.494 1.846 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.592 3.619 0.188 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.442 0.031 2.897 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.559 4.073 1.501 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.497 2.302 2.843 1.00 0.00 H new ATOM 448 N LEU B 15 2.840 2.854 -2.717 1.00 0.00 N ATOM 449 CA LEU B 15 1.508 3.280 -3.122 1.00 0.00 C ATOM 450 C LEU B 15 1.147 2.721 -4.492 1.00 0.00 C ATOM 451 O LEU B 15 0.032 2.252 -4.703 1.00 0.00 O ATOM 452 CB LEU B 15 1.439 4.806 -3.158 1.00 0.00 C ATOM 453 CG LEU B 15 1.547 5.492 -1.800 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.835 6.970 -1.975 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.270 5.284 -0.997 1.00 0.00 C ATOM 0 H LEU B 15 3.477 3.620 -2.501 1.00 0.00 H new ATOM 0 HA LEU B 15 0.793 2.897 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.240 5.175 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.498 5.101 -3.622 1.00 0.00 H new ATOM 0 HG LEU B 15 2.375 5.045 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.909 7.445 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.775 7.096 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.028 7.433 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.363 5.780 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.575 5.706 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.106 4.217 -0.843 1.00 0.00 H new ATOM 467 N ASN B 16 2.107 2.754 -5.408 1.00 0.00 N ATOM 468 CA ASN B 16 1.882 2.304 -6.779 1.00 0.00 C ATOM 469 C ASN B 16 1.518 0.823 -6.823 1.00 0.00 C ATOM 470 O ASN B 16 0.662 0.407 -7.602 1.00 0.00 O ATOM 471 CB ASN B 16 3.128 2.562 -7.633 1.00 0.00 C ATOM 472 CG ASN B 16 2.940 2.154 -9.084 1.00 0.00 C ATOM 473 OD1 ASN B 16 2.440 2.929 -9.900 1.00 0.00 O ATOM 474 ND2 ASN B 16 3.363 0.945 -9.425 1.00 0.00 N ATOM 0 H ASN B 16 3.053 3.089 -5.227 1.00 0.00 H new ATOM 0 HA ASN B 16 1.045 2.872 -7.184 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.381 3.621 -7.588 1.00 0.00 H new ATOM 0 HB3 ASN B 16 3.971 2.014 -7.212 1.00 0.00 H new ATOM 0 HD21 ASN B 16 3.279 0.629 -10.391 1.00 0.00 H new ATOM 0 HD22 ASN B 16 3.772 0.330 -8.721 1.00 0.00 H new ATOM 481 N SER B 17 2.159 0.035 -5.976 1.00 0.00 N ATOM 482 CA SER B 17 1.939 -1.402 -5.961 1.00 0.00 C ATOM 483 C SER B 17 0.794 -1.774 -5.018 1.00 0.00 C ATOM 484 O SER B 17 0.108 -2.774 -5.222 1.00 0.00 O ATOM 485 CB SER B 17 3.226 -2.116 -5.539 1.00 0.00 C ATOM 486 OG SER B 17 3.127 -3.516 -5.735 1.00 0.00 O ATOM 0 H SER B 17 2.836 0.366 -5.289 1.00 0.00 H new ATOM 0 HA SER B 17 1.662 -1.720 -6.966 1.00 0.00 H new ATOM 0 HB2 SER B 17 4.066 -1.725 -6.113 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.433 -1.907 -4.489 1.00 0.00 H new ATOM 0 HG SER B 17 3.964 -3.945 -5.458 1.00 0.00 H new ATOM 492 N MET B 18 0.579 -0.944 -4.008 1.00 0.00 N ATOM 493 CA MET B 18 -0.380 -1.239 -2.949 1.00 0.00 C ATOM 494 C MET B 18 -1.798 -0.883 -3.369 1.00 0.00 C ATOM 495 O MET B 18 -2.752 -1.559 -2.989 1.00 0.00 O ATOM 496 CB MET B 18 -0.015 -0.458 -1.687 1.00 0.00 C ATOM 497 CG MET B 18 -0.881 -0.779 -0.484 1.00 0.00 C ATOM 498 SD MET B 18 -0.650 -2.470 0.098 1.00 0.00 S ATOM 499 CE MET B 18 -1.685 -2.468 1.560 1.00 0.00 C ATOM 0 H MET B 18 1.060 -0.052 -3.898 1.00 0.00 H new ATOM 0 HA MET B 18 -0.339 -2.310 -2.750 1.00 0.00 H new ATOM 0 HB2 MET B 18 1.026 -0.662 -1.436 1.00 0.00 H new ATOM 0 HB3 MET B 18 -0.089 0.609 -1.899 1.00 0.00 H new ATOM 0 HG2 MET B 18 -0.648 -0.085 0.323 1.00 0.00 H new ATOM 0 HG3 MET B 18 -1.929 -0.627 -0.743 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.647 -3.449 2.034 1.00 0.00 H new ATOM 0 HE2 MET B 18 -1.325 -1.713 2.259 1.00 0.00 H new ATOM 0 HE3 MET B 18 -2.713 -2.241 1.278 1.00 0.00 H new ATOM 509 N THR B 19 -1.926 0.177 -4.156 1.00 0.00 N ATOM 510 CA THR B 19 -3.233 0.681 -4.558 1.00 0.00 C ATOM 511 C THR B 19 -4.121 -0.385 -5.211 1.00 0.00 C ATOM 512 O THR B 19 -5.263 -0.560 -4.796 1.00 0.00 O ATOM 513 CB THR B 19 -3.119 1.913 -5.480 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.979 1.792 -6.341 1.00 0.00 O ATOM 515 CG2 THR B 19 -3.006 3.191 -4.663 1.00 0.00 C ATOM 0 H THR B 19 -1.138 0.706 -4.530 1.00 0.00 H new ATOM 0 HA THR B 19 -3.719 0.982 -3.630 1.00 0.00 H new ATOM 0 HB THR B 19 -4.023 1.961 -6.087 1.00 0.00 H new ATOM 0 HG1 THR B 19 -1.212 2.246 -5.934 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.927 4.046 -5.334 1.00 0.00 H new ATOM 0 HG22 THR B 19 -3.891 3.302 -4.037 1.00 0.00 H new ATOM 0 HG23 THR B 19 -2.119 3.142 -4.032 1.00 0.00 H new ATOM 523 N PRO B 20 -3.631 -1.142 -6.211 1.00 0.00 N ATOM 524 CA PRO B 20 -4.460 -2.136 -6.887 1.00 0.00 C ATOM 525 C PRO B 20 -4.621 -3.411 -6.059 1.00 0.00 C ATOM 526 O PRO B 20 -5.371 -4.315 -6.427 1.00 0.00 O ATOM 527 CB PRO B 20 -3.691 -2.393 -8.174 1.00 0.00 C ATOM 528 CG PRO B 20 -2.266 -2.200 -7.796 1.00 0.00 C ATOM 529 CD PRO B 20 -2.261 -1.105 -6.767 1.00 0.00 C ATOM 0 HA PRO B 20 -5.482 -1.796 -7.054 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.870 -3.400 -8.550 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.991 -1.701 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.841 -3.119 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.665 -1.925 -8.663 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.511 -1.283 -5.996 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -2.036 -0.137 -7.214 1.00 0.00 H new ATOM 537 N LEU B 21 -3.922 -3.463 -4.930 1.00 0.00 N ATOM 538 CA LEU B 21 -4.035 -4.576 -3.997 1.00 0.00 C ATOM 539 C LEU B 21 -5.084 -4.266 -2.940 1.00 0.00 C ATOM 540 O LEU B 21 -5.567 -5.156 -2.238 1.00 0.00 O ATOM 541 CB LEU B 21 -2.694 -4.840 -3.315 1.00 0.00 C ATOM 542 CG LEU B 21 -1.556 -5.275 -4.238 1.00 0.00 C ATOM 543 CD1 LEU B 21 -0.283 -5.491 -3.434 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.934 -6.539 -4.999 1.00 0.00 C ATOM 0 H LEU B 21 -3.265 -2.739 -4.638 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.332 -5.463 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.388 -3.933 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.838 -5.611 -2.558 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.377 -4.484 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.521 -5.801 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -0.004 -4.562 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -0.452 -6.266 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -1.110 -6.832 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -2.140 -7.342 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.823 -6.349 -5.601 1.00 0.00 H new ATOM 556 N LEU B 22 -5.427 -2.989 -2.833 1.00 0.00 N ATOM 557 CA LEU B 22 -6.402 -2.531 -1.855 1.00 0.00 C ATOM 558 C LEU B 22 -7.799 -3.101 -2.122 1.00 0.00 C ATOM 559 O LEU B 22 -8.444 -3.553 -1.186 1.00 0.00 O ATOM 560 CB LEU B 22 -6.439 -1.001 -1.805 1.00 0.00 C ATOM 561 CG LEU B 22 -5.165 -0.343 -1.273 1.00 0.00 C ATOM 562 CD1 LEU B 22 -5.212 1.157 -1.493 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.977 -0.651 0.207 1.00 0.00 C ATOM 0 H LEU B 22 -5.040 -2.248 -3.417 1.00 0.00 H new ATOM 0 HA LEU B 22 -6.084 -2.905 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.633 -0.624 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.278 -0.693 -1.181 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.316 -0.752 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.298 1.610 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.300 1.366 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -6.072 1.575 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.065 -0.173 0.565 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.830 -0.271 0.769 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.901 -1.729 0.347 1.00 0.00 H new ATOM 575 N PRO B 23 -8.293 -3.104 -3.387 1.00 0.00 N ATOM 576 CA PRO B 23 -9.606 -3.680 -3.719 1.00 0.00 C ATOM 577 C PRO B 23 -9.817 -5.061 -3.109 1.00 0.00 C ATOM 578 O PRO B 23 -10.910 -5.386 -2.635 1.00 0.00 O ATOM 579 CB PRO B 23 -9.559 -3.770 -5.239 1.00 0.00 C ATOM 580 CG PRO B 23 -8.703 -2.631 -5.642 1.00 0.00 C ATOM 581 CD PRO B 23 -7.645 -2.535 -4.589 1.00 0.00 C ATOM 0 HA PRO B 23 -10.428 -3.079 -3.329 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -9.140 -4.720 -5.569 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.556 -3.693 -5.674 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -8.264 -2.799 -6.625 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -9.280 -1.709 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.752 -3.096 -4.866 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -7.335 -1.503 -4.426 1.00 0.00 H new ATOM 589 N ASP B 24 -8.755 -5.854 -3.115 1.00 0.00 N ATOM 590 CA ASP B 24 -8.773 -7.183 -2.524 1.00 0.00 C ATOM 591 C ASP B 24 -9.030 -7.106 -1.023 1.00 0.00 C ATOM 592 O ASP B 24 -9.918 -7.773 -0.501 1.00 0.00 O ATOM 593 CB ASP B 24 -7.438 -7.883 -2.798 1.00 0.00 C ATOM 594 CG ASP B 24 -7.267 -9.171 -2.014 1.00 0.00 C ATOM 595 OD1 ASP B 24 -7.849 -10.202 -2.413 1.00 0.00 O ATOM 596 OD2 ASP B 24 -6.532 -9.164 -1.003 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.859 -5.595 -3.529 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.582 -7.757 -2.976 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.361 -8.101 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.622 -7.204 -2.552 1.00 0.00 H new ATOM 601 N LEU B 25 -8.268 -6.256 -0.347 1.00 0.00 N ATOM 602 CA LEU B 25 -8.352 -6.122 1.103 1.00 0.00 C ATOM 603 C LEU B 25 -9.671 -5.482 1.512 1.00 0.00 C ATOM 604 O LEU B 25 -10.328 -5.927 2.455 1.00 0.00 O ATOM 605 CB LEU B 25 -7.190 -5.268 1.616 1.00 0.00 C ATOM 606 CG LEU B 25 -5.794 -5.775 1.251 1.00 0.00 C ATOM 607 CD1 LEU B 25 -4.735 -4.775 1.686 1.00 0.00 C ATOM 608 CD2 LEU B 25 -5.537 -7.133 1.884 1.00 0.00 C ATOM 0 H LEU B 25 -7.579 -5.644 -0.784 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.296 -7.118 1.542 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.304 -4.257 1.226 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.262 -5.201 2.702 1.00 0.00 H new ATOM 0 HG LEU B 25 -5.740 -5.885 0.168 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -3.748 -5.151 1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.908 -3.822 1.186 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.789 -4.634 2.765 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -4.539 -7.478 1.613 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.610 -7.049 2.968 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.278 -7.848 1.525 1.00 0.00 H new ATOM 620 N ILE B 26 -10.049 -4.441 0.785 1.00 0.00 N ATOM 621 CA ILE B 26 -11.231 -3.657 1.108 1.00 0.00 C ATOM 622 C ILE B 26 -12.496 -4.502 1.045 1.00 0.00 C ATOM 623 O ILE B 26 -13.236 -4.583 2.021 1.00 0.00 O ATOM 624 CB ILE B 26 -11.380 -2.446 0.160 1.00 0.00 C ATOM 625 CG1 ILE B 26 -10.134 -1.557 0.222 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.622 -1.640 0.509 1.00 0.00 C ATOM 627 CD1 ILE B 26 -9.834 -1.009 1.599 1.00 0.00 C ATOM 0 H ILE B 26 -9.547 -4.117 -0.042 1.00 0.00 H new ATOM 0 HA ILE B 26 -11.098 -3.296 2.128 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.487 -2.822 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.274 -2.130 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.261 -0.724 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.708 -0.792 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.505 -2.272 0.414 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.544 -1.277 1.534 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -8.937 -0.391 1.557 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -10.675 -0.406 1.942 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -9.673 -1.835 2.292 1.00 0.00 H new ATOM 639 N CYS B 27 -12.727 -5.154 -0.090 1.00 0.00 N ATOM 640 CA CYS B 27 -13.961 -5.905 -0.283 1.00 0.00 C ATOM 641 C CYS B 27 -14.070 -7.033 0.731 1.00 0.00 C ATOM 642 O CYS B 27 -15.140 -7.283 1.278 1.00 0.00 O ATOM 643 CB CYS B 27 -14.044 -6.476 -1.696 1.00 0.00 C ATOM 644 SG CYS B 27 -15.694 -7.126 -2.124 1.00 0.00 S ATOM 0 H CYS B 27 -12.084 -5.178 -0.881 1.00 0.00 H new ATOM 0 HA CYS B 27 -14.791 -5.213 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -13.772 -5.698 -2.410 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -13.310 -7.275 -1.800 1.00 0.00 H new ATOM 0 HG CYS B 27 -16.552 -6.150 -2.148 1.00 0.00 H new ATOM 649 N LYS B 28 -12.949 -7.700 0.994 1.00 0.00 N ATOM 650 CA LYS B 28 -12.926 -8.788 1.960 1.00 0.00 C ATOM 651 C LYS B 28 -13.275 -8.281 3.353 1.00 0.00 C ATOM 652 O LYS B 28 -13.904 -8.987 4.138 1.00 0.00 O ATOM 653 CB LYS B 28 -11.561 -9.468 1.970 1.00 0.00 C ATOM 654 CG LYS B 28 -11.297 -10.303 0.730 1.00 0.00 C ATOM 655 CD LYS B 28 -9.879 -10.836 0.716 1.00 0.00 C ATOM 656 CE LYS B 28 -9.657 -11.795 -0.441 1.00 0.00 C ATOM 657 NZ LYS B 28 -8.237 -12.212 -0.543 1.00 0.00 N1+ ATOM 0 H LYS B 28 -12.050 -7.505 0.553 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.676 -9.521 1.663 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.785 -8.708 2.060 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.487 -10.105 2.851 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.001 -11.135 0.693 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.469 -9.699 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.177 -10.005 0.641 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.671 -11.345 1.657 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.286 -12.675 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.964 -11.319 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.188 -13.206 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.748 -11.613 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.778 -12.110 0.384 1.00 0.00 H new ATOM 671 N GLY B 29 -12.890 -7.042 3.643 1.00 0.00 N ATOM 672 CA GLY B 29 -13.220 -6.436 4.919 1.00 0.00 C ATOM 673 C GLY B 29 -14.716 -6.251 5.091 1.00 0.00 C ATOM 674 O GLY B 29 -15.219 -6.192 6.213 1.00 0.00 O ATOM 0 H GLY B 29 -12.353 -6.445 3.014 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -12.837 -7.060 5.726 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -12.724 -5.469 5.000 1.00 0.00 H new ATOM 678 N PHE B 30 -15.426 -6.160 3.972 1.00 0.00 N ATOM 679 CA PHE B 30 -16.878 -6.029 3.994 1.00 0.00 C ATOM 680 C PHE B 30 -17.556 -7.395 3.962 1.00 0.00 C ATOM 681 O PHE B 30 -18.753 -7.507 4.202 1.00 0.00 O ATOM 682 CB PHE B 30 -17.368 -5.180 2.816 1.00 0.00 C ATOM 683 CG PHE B 30 -16.981 -3.731 2.913 1.00 0.00 C ATOM 684 CD1 PHE B 30 -17.718 -2.859 3.694 1.00 0.00 C ATOM 685 CD2 PHE B 30 -15.886 -3.241 2.225 1.00 0.00 C ATOM 686 CE1 PHE B 30 -17.368 -1.524 3.788 1.00 0.00 C ATOM 687 CE2 PHE B 30 -15.533 -1.908 2.315 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.274 -1.050 3.098 1.00 0.00 C ATOM 0 H PHE B 30 -15.019 -6.175 3.037 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.146 -5.530 4.925 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -16.967 -5.593 1.890 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.454 -5.254 2.753 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -18.577 -3.225 4.237 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -15.300 -3.908 1.610 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -17.952 -0.854 4.402 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -14.676 -1.539 1.771 1.00 0.00 H new ATOM 0 HZ PHE B 30 -15.998 -0.008 3.171 1.00 0.00 H new ATOM 698 N ILE B 31 -16.789 -8.428 3.654 1.00 0.00 N ATOM 699 CA ILE B 31 -17.324 -9.779 3.603 1.00 0.00 C ATOM 700 C ILE B 31 -17.085 -10.504 4.925 1.00 0.00 C ATOM 701 O ILE B 31 -17.980 -11.168 5.453 1.00 0.00 O ATOM 702 CB ILE B 31 -16.690 -10.592 2.452 1.00 0.00 C ATOM 703 CG1 ILE B 31 -16.880 -9.859 1.122 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.302 -11.984 2.382 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.213 -10.542 -0.054 1.00 0.00 C ATOM 0 H ILE B 31 -15.795 -8.357 3.436 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.396 -9.697 3.424 1.00 0.00 H new ATOM 0 HB ILE B 31 -15.622 -10.695 2.646 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -17.947 -9.766 0.919 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -16.484 -8.848 1.215 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -16.844 -12.542 1.566 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -17.126 -12.506 3.322 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.375 -11.901 2.208 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.392 -9.963 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.140 -10.611 0.126 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -16.626 -11.543 -0.175 1.00 0.00 H new ATOM 717 N GLN B 32 -15.878 -10.362 5.455 1.00 0.00 N ATOM 718 CA GLN B 32 -15.484 -11.044 6.680 1.00 0.00 C ATOM 719 C GLN B 32 -16.261 -10.527 7.887 1.00 0.00 C ATOM 720 O GLN B 32 -16.679 -11.308 8.741 1.00 0.00 O ATOM 721 CB GLN B 32 -13.984 -10.874 6.911 1.00 0.00 C ATOM 722 CG GLN B 32 -13.127 -11.525 5.837 1.00 0.00 C ATOM 723 CD GLN B 32 -11.643 -11.337 6.079 1.00 0.00 C ATOM 724 OE1 GLN B 32 -11.215 -10.337 6.660 1.00 0.00 O ATOM 725 NE2 GLN B 32 -10.846 -12.296 5.635 1.00 0.00 N ATOM 0 H GLN B 32 -15.148 -9.775 5.051 1.00 0.00 H new ATOM 0 HA GLN B 32 -15.717 -12.102 6.563 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -13.750 -9.810 6.956 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -13.723 -11.299 7.880 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -13.352 -12.591 5.795 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -13.389 -11.106 4.866 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -11.240 -13.107 5.159 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -9.837 -12.224 5.769 1.00 0.00 H new ATOM 734 N ASP B 33 -16.468 -9.218 7.947 1.00 0.00 N ATOM 735 CA ASP B 33 -17.169 -8.615 9.076 1.00 0.00 C ATOM 736 C ASP B 33 -18.674 -8.780 8.908 1.00 0.00 C ATOM 737 O ASP B 33 -19.234 -8.387 7.887 1.00 0.00 O ATOM 738 CB ASP B 33 -16.840 -7.128 9.195 1.00 0.00 C ATOM 739 CG ASP B 33 -17.122 -6.591 10.582 1.00 0.00 C ATOM 740 OD1 ASP B 33 -16.154 -6.367 11.339 1.00 0.00 O ATOM 741 OD2 ASP B 33 -18.301 -6.392 10.924 1.00 0.00 O1- ATOM 0 H ASP B 33 -16.163 -8.556 7.233 1.00 0.00 H new ATOM 0 HA ASP B 33 -16.840 -9.123 9.983 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -15.789 -6.969 8.952 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -17.424 -6.568 8.464 1.00 0.00 H new ATOM 746 N PRO B 34 -19.350 -9.360 9.916 1.00 0.00 N ATOM 747 CA PRO B 34 -20.796 -9.611 9.870 1.00 0.00 C ATOM 748 C PRO B 34 -21.610 -8.324 9.761 1.00 0.00 C ATOM 749 O PRO B 34 -22.669 -8.298 9.133 1.00 0.00 O ATOM 750 CB PRO B 34 -21.097 -10.310 11.200 1.00 0.00 C ATOM 751 CG PRO B 34 -19.779 -10.779 11.716 1.00 0.00 C ATOM 752 CD PRO B 34 -18.754 -9.824 11.181 1.00 0.00 C ATOM 0 HA PRO B 34 -21.066 -10.201 8.994 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -21.572 -9.626 11.903 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -21.782 -11.146 11.057 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -19.769 -10.789 12.806 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -19.572 -11.797 11.386 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -18.577 -8.997 11.869 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -17.794 -10.314 11.017 1.00 0.00 H new ATOM 760 N ASP B 35 -21.103 -7.261 10.373 1.00 0.00 N ATOM 761 CA ASP B 35 -21.766 -5.956 10.352 1.00 0.00 C ATOM 762 C ASP B 35 -21.749 -5.374 8.960 1.00 0.00 C ATOM 763 O ASP B 35 -22.648 -4.646 8.548 1.00 0.00 O ATOM 764 CB ASP B 35 -21.044 -4.983 11.275 1.00 0.00 C ATOM 765 CG ASP B 35 -21.272 -5.287 12.739 1.00 0.00 C ATOM 766 OD1 ASP B 35 -22.109 -4.598 13.362 1.00 0.00 O ATOM 767 OD2 ASP B 35 -20.635 -6.213 13.276 1.00 0.00 O1- ATOM 0 H ASP B 35 -20.227 -7.275 10.895 1.00 0.00 H new ATOM 0 HA ASP B 35 -22.794 -6.102 10.683 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -19.975 -5.014 11.064 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -21.381 -3.969 11.062 1.00 0.00 H new ATOM 772 N LEU B 36 -20.681 -5.665 8.267 1.00 0.00 N ATOM 773 CA LEU B 36 -20.429 -5.129 6.962 1.00 0.00 C ATOM 774 C LEU B 36 -21.103 -6.002 5.910 1.00 0.00 C ATOM 775 O LEU B 36 -21.739 -5.508 4.974 1.00 0.00 O ATOM 776 CB LEU B 36 -18.921 -5.110 6.767 1.00 0.00 C ATOM 777 CG LEU B 36 -18.110 -4.153 7.666 1.00 0.00 C ATOM 778 CD1 LEU B 36 -17.935 -2.822 6.984 1.00 0.00 C ATOM 779 CD2 LEU B 36 -18.707 -3.920 9.036 1.00 0.00 C ATOM 0 H LEU B 36 -19.950 -6.293 8.602 1.00 0.00 H new ATOM 0 HA LEU B 36 -20.832 -4.121 6.863 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -18.546 -6.121 6.924 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -18.717 -4.853 5.728 1.00 0.00 H new ATOM 0 HG LEU B 36 -17.153 -4.651 7.820 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -17.361 -2.156 7.628 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -17.404 -2.963 6.043 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -18.913 -2.383 6.787 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -18.072 -3.236 9.598 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -19.702 -3.487 8.931 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -18.778 -4.869 9.568 1.00 0.00 H new ATOM 791 N LYS B 37 -20.984 -7.311 6.110 1.00 0.00 N ATOM 792 CA LYS B 37 -21.539 -8.309 5.204 1.00 0.00 C ATOM 793 C LYS B 37 -23.052 -8.179 5.100 1.00 0.00 C ATOM 794 O LYS B 37 -23.636 -8.434 4.045 1.00 0.00 O ATOM 795 CB LYS B 37 -21.170 -9.711 5.699 1.00 0.00 C ATOM 796 CG LYS B 37 -21.706 -10.845 4.837 1.00 0.00 C ATOM 797 CD LYS B 37 -21.148 -10.804 3.424 1.00 0.00 C ATOM 798 CE LYS B 37 -21.598 -12.011 2.615 1.00 0.00 C ATOM 799 NZ LYS B 37 -23.079 -12.100 2.513 1.00 0.00 N1+ ATOM 0 H LYS B 37 -20.496 -7.711 6.911 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.118 -8.145 4.212 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.084 -9.791 5.749 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -21.546 -9.835 6.715 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -21.454 -11.800 5.298 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -22.794 -10.787 4.798 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -21.474 -9.890 2.929 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -20.059 -10.775 3.462 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -21.170 -11.955 1.614 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -21.212 -12.920 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -23.409 -12.964 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -23.509 -11.269 2.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -23.357 -12.130 1.511 1.00 0.00 H new ATOM 813 N LYS B 38 -23.679 -7.767 6.193 1.00 0.00 N ATOM 814 CA LYS B 38 -25.128 -7.652 6.238 1.00 0.00 C ATOM 815 C LYS B 38 -25.630 -6.631 5.218 1.00 0.00 C ATOM 816 O LYS B 38 -26.714 -6.783 4.669 1.00 0.00 O ATOM 817 CB LYS B 38 -25.595 -7.320 7.667 1.00 0.00 C ATOM 818 CG LYS B 38 -25.210 -5.939 8.181 1.00 0.00 C ATOM 819 CD LYS B 38 -26.209 -4.866 7.781 1.00 0.00 C ATOM 820 CE LYS B 38 -25.801 -3.503 8.319 1.00 0.00 C ATOM 821 NZ LYS B 38 -25.851 -3.443 9.806 1.00 0.00 N1+ ATOM 0 H LYS B 38 -23.207 -7.507 7.059 1.00 0.00 H new ATOM 0 HA LYS B 38 -25.563 -8.613 5.964 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -26.680 -7.413 7.706 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -25.186 -8.068 8.347 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -25.131 -5.969 9.268 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -24.225 -5.674 7.797 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -26.284 -4.823 6.694 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -27.197 -5.127 8.159 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -24.791 -3.270 7.982 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -26.460 -2.740 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -25.732 -2.458 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -26.769 -3.802 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -25.087 -4.027 10.203 1.00 0.00 H new ATOM 835 N ARG B 39 -24.824 -5.606 4.947 1.00 0.00 N ATOM 836 CA ARG B 39 -25.184 -4.589 3.964 1.00 0.00 C ATOM 837 C ARG B 39 -24.670 -4.990 2.584 1.00 0.00 C ATOM 838 O ARG B 39 -25.303 -4.712 1.564 1.00 0.00 O ATOM 839 CB ARG B 39 -24.624 -3.225 4.379 1.00 0.00 C ATOM 840 CG ARG B 39 -24.968 -2.091 3.422 1.00 0.00 C ATOM 841 CD ARG B 39 -26.469 -1.977 3.187 1.00 0.00 C ATOM 842 NE ARG B 39 -27.220 -1.821 4.431 1.00 0.00 N ATOM 843 CZ ARG B 39 -28.550 -1.844 4.502 1.00 0.00 C ATOM 844 NH1 ARG B 39 -29.277 -1.985 3.401 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -29.158 -1.713 5.672 1.00 0.00 N ATOM 0 H ARG B 39 -23.919 -5.459 5.394 1.00 0.00 H new ATOM 0 HA ARG B 39 -26.270 -4.510 3.918 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -25.002 -2.976 5.370 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.540 -3.300 4.461 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -24.592 -1.150 3.824 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.464 -2.255 2.470 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -26.668 -1.125 2.537 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -26.820 -2.866 2.663 1.00 0.00 H new ATOM 0 HE ARG B 39 -26.695 -1.687 5.295 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -28.818 -2.076 2.495 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -30.295 -2.002 3.461 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -28.607 -1.594 6.522 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -30.177 -1.731 5.722 1.00 0.00 H new ATOM 859 N PHE B 40 -23.521 -5.654 2.573 1.00 0.00 N ATOM 860 CA PHE B 40 -22.928 -6.194 1.352 1.00 0.00 C ATOM 861 C PHE B 40 -23.925 -7.107 0.636 1.00 0.00 C ATOM 862 O PHE B 40 -24.055 -7.070 -0.590 1.00 0.00 O ATOM 863 CB PHE B 40 -21.659 -6.968 1.729 1.00 0.00 C ATOM 864 CG PHE B 40 -20.849 -7.479 0.571 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.905 -8.815 0.203 1.00 0.00 C ATOM 866 CD2 PHE B 40 -20.014 -6.629 -0.136 1.00 0.00 C ATOM 867 CE1 PHE B 40 -20.144 -9.292 -0.846 1.00 0.00 C ATOM 868 CE2 PHE B 40 -19.254 -7.099 -1.188 1.00 0.00 C ATOM 869 CZ PHE B 40 -19.317 -8.432 -1.543 1.00 0.00 C ATOM 0 H PHE B 40 -22.971 -5.835 3.413 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.673 -5.382 0.671 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.026 -6.321 2.336 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -21.942 -7.815 2.354 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -21.552 -9.491 0.743 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -19.957 -5.586 0.139 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -20.195 -10.335 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -18.610 -6.425 -1.733 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.721 -8.802 -2.364 1.00 0.00 H new ATOM 879 N ASP B 41 -24.648 -7.898 1.419 1.00 0.00 N ATOM 880 CA ASP B 41 -25.627 -8.835 0.876 1.00 0.00 C ATOM 881 C ASP B 41 -26.890 -8.115 0.408 1.00 0.00 C ATOM 882 O ASP B 41 -27.500 -8.504 -0.588 1.00 0.00 O ATOM 883 CB ASP B 41 -25.989 -9.887 1.927 1.00 0.00 C ATOM 884 CG ASP B 41 -26.962 -10.923 1.402 1.00 0.00 C ATOM 885 OD1 ASP B 41 -28.163 -10.840 1.733 1.00 0.00 O ATOM 886 OD2 ASP B 41 -26.532 -11.831 0.659 1.00 0.00 O1- ATOM 0 H ASP B 41 -24.575 -7.910 2.436 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.176 -9.324 0.012 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.080 -10.385 2.265 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.424 -9.393 2.796 1.00 0.00 H new ATOM 891 N GLU B 42 -27.264 -7.053 1.117 1.00 0.00 N ATOM 892 CA GLU B 42 -28.471 -6.295 0.799 1.00 0.00 C ATOM 893 C GLU B 42 -28.415 -5.710 -0.605 1.00 0.00 C ATOM 894 O GLU B 42 -29.421 -5.672 -1.317 1.00 0.00 O ATOM 895 CB GLU B 42 -28.667 -5.164 1.809 1.00 0.00 C ATOM 896 CG GLU B 42 -29.036 -5.642 3.200 1.00 0.00 C ATOM 897 CD GLU B 42 -30.352 -6.386 3.228 1.00 0.00 C ATOM 898 OE1 GLU B 42 -31.410 -5.728 3.257 1.00 0.00 O ATOM 899 OE2 GLU B 42 -30.338 -7.635 3.226 1.00 0.00 O1- ATOM 0 H GLU B 42 -26.745 -6.696 1.920 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.312 -6.987 0.849 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.749 -4.579 1.868 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -29.448 -4.496 1.445 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.247 -6.292 3.578 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -29.093 -4.785 3.872 1.00 0.00 H new ATOM 906 N ILE B 43 -27.234 -5.260 -1.002 1.00 0.00 N ATOM 907 CA ILE B 43 -27.067 -4.621 -2.296 1.00 0.00 C ATOM 908 C ILE B 43 -26.738 -5.666 -3.362 1.00 0.00 C ATOM 909 O ILE B 43 -26.642 -5.359 -4.552 1.00 0.00 O ATOM 910 CB ILE B 43 -25.956 -3.543 -2.245 1.00 0.00 C ATOM 911 CG1 ILE B 43 -26.092 -2.690 -0.977 1.00 0.00 C ATOM 912 CG2 ILE B 43 -26.012 -2.648 -3.476 1.00 0.00 C ATOM 913 CD1 ILE B 43 -27.399 -1.930 -0.881 1.00 0.00 C ATOM 0 H ILE B 43 -26.380 -5.326 -0.448 1.00 0.00 H new ATOM 0 HA ILE B 43 -28.005 -4.130 -2.556 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.993 -4.054 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.995 -3.337 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -25.267 -1.979 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -25.222 -1.899 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -25.873 -3.253 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -26.981 -2.151 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -27.417 -1.352 0.043 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -27.491 -1.256 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -28.231 -2.635 -0.884 1.00 0.00 H new ATOM 925 N LYS B 44 -26.585 -6.915 -2.910 1.00 0.00 N ATOM 926 CA LYS B 44 -26.270 -8.044 -3.788 1.00 0.00 C ATOM 927 C LYS B 44 -24.967 -7.808 -4.532 1.00 0.00 C ATOM 928 O LYS B 44 -24.823 -8.186 -5.693 1.00 0.00 O ATOM 929 CB LYS B 44 -27.406 -8.297 -4.785 1.00 0.00 C ATOM 930 CG LYS B 44 -28.691 -8.794 -4.141 1.00 0.00 C ATOM 931 CD LYS B 44 -28.506 -10.148 -3.469 1.00 0.00 C ATOM 932 CE LYS B 44 -28.103 -11.231 -4.463 1.00 0.00 C ATOM 933 NZ LYS B 44 -29.121 -11.418 -5.529 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.676 -7.170 -1.927 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.156 -8.928 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -27.615 -7.373 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -27.074 -9.028 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -29.032 -8.067 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -29.471 -8.869 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -27.744 -10.066 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -29.434 -10.437 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -27.147 -10.968 -4.917 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -27.956 -12.172 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -28.903 -12.279 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -30.063 -11.509 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -29.111 -10.597 -6.167 1.00 0.00 H new ATOM 947 N MET B 45 -24.017 -7.194 -3.851 1.00 0.00 N ATOM 948 CA MET B 45 -22.747 -6.858 -4.462 1.00 0.00 C ATOM 949 C MET B 45 -21.763 -8.008 -4.300 1.00 0.00 C ATOM 950 O MET B 45 -21.860 -8.782 -3.349 1.00 0.00 O ATOM 951 CB MET B 45 -22.196 -5.578 -3.838 1.00 0.00 C ATOM 952 CG MET B 45 -20.888 -5.109 -4.455 1.00 0.00 C ATOM 953 SD MET B 45 -20.431 -3.455 -3.922 1.00 0.00 S ATOM 954 CE MET B 45 -20.617 -3.629 -2.154 1.00 0.00 C ATOM 0 H MET B 45 -24.102 -6.918 -2.873 1.00 0.00 H new ATOM 0 HA MET B 45 -22.896 -6.688 -5.528 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.939 -4.787 -3.939 1.00 0.00 H new ATOM 0 HB3 MET B 45 -22.046 -5.740 -2.771 1.00 0.00 H new ATOM 0 HG2 MET B 45 -20.093 -5.806 -4.188 1.00 0.00 H new ATOM 0 HG3 MET B 45 -20.976 -5.126 -5.541 1.00 0.00 H new ATOM 0 HE1 MET B 45 -20.439 -2.667 -1.673 1.00 0.00 H new ATOM 0 HE2 MET B 45 -21.628 -3.967 -1.926 1.00 0.00 H new ATOM 0 HE3 MET B 45 -19.898 -4.359 -1.783 1.00 0.00 H new ATOM 964 N THR B 46 -20.839 -8.133 -5.240 1.00 0.00 N ATOM 965 CA THR B 46 -19.853 -9.197 -5.203 1.00 0.00 C ATOM 966 C THR B 46 -18.437 -8.637 -5.094 1.00 0.00 C ATOM 967 O THR B 46 -18.211 -7.454 -5.360 1.00 0.00 O ATOM 968 CB THR B 46 -19.949 -10.079 -6.462 1.00 0.00 C ATOM 969 OG1 THR B 46 -19.835 -9.265 -7.637 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.265 -10.839 -6.496 1.00 0.00 C ATOM 0 H THR B 46 -20.753 -7.507 -6.040 1.00 0.00 H new ATOM 0 HA THR B 46 -20.065 -9.800 -4.320 1.00 0.00 H new ATOM 0 HB THR B 46 -19.133 -10.801 -6.435 1.00 0.00 H new ATOM 0 HG1 THR B 46 -19.895 -9.831 -8.434 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.307 -11.454 -7.395 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.339 -11.478 -5.616 1.00 0.00 H new ATOM 0 HG23 THR B 46 -22.094 -10.131 -6.502 1.00 0.00 H new ATOM 978 N TYR B 47 -17.490 -9.490 -4.720 1.00 0.00 N ATOM 979 CA TYR B 47 -16.080 -9.113 -4.659 1.00 0.00 C ATOM 980 C TYR B 47 -15.618 -8.591 -6.017 1.00 0.00 C ATOM 981 O TYR B 47 -14.889 -7.597 -6.112 1.00 0.00 O ATOM 982 CB TYR B 47 -15.250 -10.334 -4.237 1.00 0.00 C ATOM 983 CG TYR B 47 -13.750 -10.127 -4.260 1.00 0.00 C ATOM 984 CD1 TYR B 47 -13.068 -9.685 -3.133 1.00 0.00 C ATOM 985 CD2 TYR B 47 -13.017 -10.391 -5.411 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.698 -9.509 -3.155 1.00 0.00 C ATOM 987 CE2 TYR B 47 -11.649 -10.216 -5.440 1.00 0.00 C ATOM 988 CZ TYR B 47 -10.993 -9.777 -4.312 1.00 0.00 C ATOM 989 OH TYR B 47 -9.630 -9.604 -4.345 1.00 0.00 O ATOM 0 H TYR B 47 -17.675 -10.457 -4.452 1.00 0.00 H new ATOM 0 HA TYR B 47 -15.944 -8.318 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.546 -10.625 -3.229 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.497 -11.167 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.617 -9.476 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -13.527 -10.739 -6.297 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -11.181 -9.164 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -11.095 -10.422 -6.344 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.243 -9.895 -3.493 1.00 0.00 H new ATOM 999 N GLU B 48 -16.087 -9.256 -7.065 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.733 -8.914 -8.435 1.00 0.00 C ATOM 1001 C GLU B 48 -16.252 -7.528 -8.812 1.00 0.00 C ATOM 1002 O GLU B 48 -15.726 -6.881 -9.718 1.00 0.00 O ATOM 1003 CB GLU B 48 -16.301 -9.965 -9.384 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.732 -11.354 -9.153 1.00 0.00 C ATOM 1005 CD GLU B 48 -16.494 -12.424 -9.901 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -16.563 -12.356 -11.147 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -17.037 -13.337 -9.247 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.724 -10.049 -6.988 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.646 -8.895 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -17.384 -10.000 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -16.099 -9.664 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -14.688 -11.372 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -15.750 -11.578 -8.086 1.00 0.00 H new ATOM 1014 N GLN B 49 -17.286 -7.077 -8.119 1.00 0.00 N ATOM 1015 CA GLN B 49 -17.819 -5.742 -8.337 1.00 0.00 C ATOM 1016 C GLN B 49 -16.961 -4.718 -7.610 1.00 0.00 C ATOM 1017 O GLN B 49 -16.572 -3.702 -8.177 1.00 0.00 O ATOM 1018 CB GLN B 49 -19.265 -5.659 -7.849 1.00 0.00 C ATOM 1019 CG GLN B 49 -19.923 -4.305 -8.089 1.00 0.00 C ATOM 1020 CD GLN B 49 -20.141 -3.998 -9.560 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -20.391 -5.027 -10.355 1.00 0.00 O flip ATOM 1022 NE2 GLN B 49 -20.106 -2.839 -9.973 1.00 0.00 N flip ATOM 0 H GLN B 49 -17.772 -7.615 -7.402 1.00 0.00 H new ATOM 0 HA GLN B 49 -17.802 -5.527 -9.405 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -19.851 -6.430 -8.349 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -19.291 -5.880 -6.782 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -20.883 -4.278 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.303 -3.524 -7.650 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -19.910 -2.073 -9.328 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -20.273 -2.644 -10.960 1.00 0.00 H new ATOM 1031 N CYS B 50 -16.652 -5.008 -6.353 1.00 0.00 N ATOM 1032 CA CYS B 50 -15.850 -4.116 -5.522 1.00 0.00 C ATOM 1033 C CYS B 50 -14.544 -3.735 -6.207 1.00 0.00 C ATOM 1034 O CYS B 50 -14.145 -2.572 -6.201 1.00 0.00 O ATOM 1035 CB CYS B 50 -15.512 -4.779 -4.192 1.00 0.00 C ATOM 1036 SG CYS B 50 -16.921 -5.544 -3.326 1.00 0.00 S ATOM 0 H CYS B 50 -16.948 -5.863 -5.882 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.447 -3.219 -5.357 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -14.755 -5.544 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -15.065 -4.033 -3.536 1.00 0.00 H new ATOM 0 HG CYS B 50 -16.611 -6.758 -2.981 1.00 0.00 H new ATOM 1041 N VAL B 51 -13.885 -4.715 -6.810 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.554 -4.502 -7.360 1.00 0.00 C ATOM 1043 C VAL B 51 -12.562 -3.623 -8.605 1.00 0.00 C ATOM 1044 O VAL B 51 -11.510 -3.174 -9.047 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.830 -5.828 -7.671 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.496 -6.563 -6.383 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.666 -6.702 -8.591 1.00 0.00 C ATOM 0 H VAL B 51 -14.248 -5.661 -6.930 1.00 0.00 H new ATOM 0 HA VAL B 51 -12.005 -3.978 -6.578 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.899 -5.596 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -10.985 -7.497 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -10.848 -5.940 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -12.415 -6.780 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -12.133 -7.631 -8.794 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.618 -6.928 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.847 -6.175 -9.528 1.00 0.00 H new ATOM 1057 N THR B 52 -13.730 -3.388 -9.183 1.00 0.00 N ATOM 1058 CA THR B 52 -13.830 -2.464 -10.299 1.00 0.00 C ATOM 1059 C THR B 52 -14.163 -1.059 -9.791 1.00 0.00 C ATOM 1060 O THR B 52 -14.062 -0.077 -10.524 1.00 0.00 O ATOM 1061 CB THR B 52 -14.873 -2.933 -11.346 1.00 0.00 C ATOM 1062 OG1 THR B 52 -14.585 -2.349 -12.623 1.00 0.00 O ATOM 1063 CG2 THR B 52 -16.292 -2.565 -10.946 1.00 0.00 C ATOM 0 H THR B 52 -14.611 -3.819 -8.902 1.00 0.00 H new ATOM 0 HA THR B 52 -12.862 -2.439 -10.800 1.00 0.00 H new ATOM 0 HB THR B 52 -14.804 -4.019 -11.400 1.00 0.00 H new ATOM 0 HG1 THR B 52 -15.248 -2.652 -13.278 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.987 -2.914 -11.710 1.00 0.00 H new ATOM 0 HG22 THR B 52 -16.535 -3.034 -9.993 1.00 0.00 H new ATOM 0 HG23 THR B 52 -16.373 -1.482 -10.848 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.545 -0.981 -8.519 1.00 0.00 N ATOM 1072 CA LEU B 53 -14.974 0.275 -7.915 1.00 0.00 C ATOM 1073 C LEU B 53 -13.851 0.899 -7.095 1.00 0.00 C ATOM 1074 O LEU B 53 -13.582 2.096 -7.193 1.00 0.00 O ATOM 1075 CB LEU B 53 -16.183 0.032 -7.011 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.352 -0.701 -7.667 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -18.527 -0.804 -6.710 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -17.774 -0.015 -8.955 1.00 0.00 C ATOM 0 H LEU B 53 -14.566 -1.779 -7.884 1.00 0.00 H new ATOM 0 HA LEU B 53 -15.244 0.961 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -15.857 -0.541 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.540 0.994 -6.642 1.00 0.00 H new ATOM 0 HG LEU B 53 -17.018 -1.709 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -19.348 -1.329 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -18.223 -1.353 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -18.854 0.196 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -18.608 -0.558 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -18.082 1.008 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -16.936 -0.002 -9.652 1.00 0.00 H new ATOM 1090 N ILE B 54 -13.198 0.066 -6.292 1.00 0.00 N ATOM 1091 CA ILE B 54 -12.146 0.506 -5.376 1.00 0.00 C ATOM 1092 C ILE B 54 -11.003 1.288 -6.060 1.00 0.00 C ATOM 1093 O ILE B 54 -10.542 2.285 -5.508 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.553 -0.693 -4.596 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.642 -1.388 -3.779 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.425 -0.235 -3.684 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.277 -0.492 -2.743 1.00 0.00 C ATOM 0 H ILE B 54 -13.382 -0.937 -6.256 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.636 1.197 -4.690 1.00 0.00 H new ATOM 0 HB ILE B 54 -11.148 -1.403 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.415 -1.754 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -12.214 -2.259 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -10.022 -1.092 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.636 0.221 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -10.808 0.495 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -14.041 -1.048 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.515 -0.146 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.735 0.366 -3.235 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.509 0.846 -7.242 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.398 1.509 -7.956 1.00 0.00 C ATOM 1111 C PRO B 55 -9.525 3.032 -8.112 1.00 0.00 C ATOM 1112 O PRO B 55 -8.530 3.703 -8.381 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.420 0.840 -9.327 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.924 -0.526 -9.051 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.946 -0.366 -7.964 1.00 0.00 C ATOM 0 HA PRO B 55 -8.472 1.395 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -10.070 1.373 -10.021 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.427 0.816 -9.775 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.367 -0.968 -9.943 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -9.116 -1.186 -8.735 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.949 -0.247 -8.373 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.970 -1.236 -7.307 1.00 0.00 H new ATOM 1123 N GLU B 56 -10.720 3.590 -7.969 1.00 0.00 N ATOM 1124 CA GLU B 56 -10.861 5.037 -8.090 1.00 0.00 C ATOM 1125 C GLU B 56 -10.701 5.710 -6.729 1.00 0.00 C ATOM 1126 O GLU B 56 -10.282 6.866 -6.637 1.00 0.00 O ATOM 1127 CB GLU B 56 -12.191 5.429 -8.741 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.422 5.198 -7.886 1.00 0.00 C ATOM 1129 CD GLU B 56 -14.675 5.722 -8.556 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -14.986 6.923 -8.394 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -15.347 4.938 -9.263 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.583 3.082 -7.775 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.065 5.389 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -12.148 6.484 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -12.302 4.868 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -13.533 4.132 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -13.293 5.689 -6.921 1.00 0.00 H new ATOM 1138 N SER B 57 -11.014 4.970 -5.677 1.00 0.00 N ATOM 1139 CA SER B 57 -10.881 5.466 -4.320 1.00 0.00 C ATOM 1140 C SER B 57 -9.430 5.351 -3.860 1.00 0.00 C ATOM 1141 O SER B 57 -8.961 6.136 -3.033 1.00 0.00 O ATOM 1142 CB SER B 57 -11.791 4.656 -3.400 1.00 0.00 C ATOM 1143 OG SER B 57 -13.086 4.512 -3.962 1.00 0.00 O ATOM 0 H SER B 57 -11.365 4.014 -5.741 1.00 0.00 H new ATOM 0 HA SER B 57 -11.172 6.516 -4.285 1.00 0.00 H new ATOM 0 HB2 SER B 57 -11.355 3.672 -3.226 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.864 5.148 -2.430 1.00 0.00 H new ATOM 0 HG SER B 57 -13.593 5.341 -3.833 1.00 0.00 H new ATOM 1149 N THR B 58 -8.724 4.373 -4.421 1.00 0.00 N ATOM 1150 CA THR B 58 -7.332 4.116 -4.071 1.00 0.00 C ATOM 1151 C THR B 58 -6.449 5.326 -4.362 1.00 0.00 C ATOM 1152 O THR B 58 -5.771 5.839 -3.471 1.00 0.00 O ATOM 1153 CB THR B 58 -6.780 2.898 -4.840 1.00 0.00 C ATOM 1154 OG1 THR B 58 -6.942 3.098 -6.246 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.491 1.622 -4.430 1.00 0.00 C ATOM 0 H THR B 58 -9.099 3.740 -5.127 1.00 0.00 H new ATOM 0 HA THR B 58 -7.311 3.909 -3.001 1.00 0.00 H new ATOM 0 HB THR B 58 -5.722 2.798 -4.598 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.588 2.322 -6.730 1.00 0.00 H new ATOM 0 HG21 THR B 58 -7.080 0.781 -4.989 1.00 0.00 H new ATOM 0 HG22 THR B 58 -7.348 1.453 -3.363 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.556 1.714 -4.644 1.00 0.00 H new ATOM 1163 N LYS B 59 -6.472 5.777 -5.614 1.00 0.00 N ATOM 1164 CA LYS B 59 -5.660 6.908 -6.048 1.00 0.00 C ATOM 1165 C LYS B 59 -6.000 8.154 -5.233 1.00 0.00 C ATOM 1166 O LYS B 59 -5.119 8.945 -4.891 1.00 0.00 O ATOM 1167 CB LYS B 59 -5.884 7.164 -7.544 1.00 0.00 C ATOM 1168 CG LYS B 59 -4.868 8.101 -8.186 1.00 0.00 C ATOM 1169 CD LYS B 59 -3.450 7.554 -8.079 1.00 0.00 C ATOM 1170 CE LYS B 59 -2.484 8.283 -9.007 1.00 0.00 C ATOM 1171 NZ LYS B 59 -2.393 9.740 -8.714 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.050 5.372 -6.350 1.00 0.00 H new ATOM 0 HA LYS B 59 -4.608 6.673 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -5.862 6.210 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -6.882 7.581 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -5.122 8.250 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -4.919 9.078 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -3.103 7.646 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -3.452 6.491 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -1.494 7.836 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -2.804 8.144 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -1.686 10.176 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -3.319 10.185 -8.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -2.110 9.878 -7.723 1.00 0.00 H new ATOM 1185 N LYS B 60 -7.279 8.296 -4.904 1.00 0.00 N ATOM 1186 CA LYS B 60 -7.754 9.413 -4.098 1.00 0.00 C ATOM 1187 C LYS B 60 -7.133 9.385 -2.702 1.00 0.00 C ATOM 1188 O LYS B 60 -6.473 10.338 -2.289 1.00 0.00 O ATOM 1189 CB LYS B 60 -9.280 9.372 -3.991 1.00 0.00 C ATOM 1190 CG LYS B 60 -9.853 10.389 -3.015 1.00 0.00 C ATOM 1191 CD LYS B 60 -11.360 10.249 -2.879 1.00 0.00 C ATOM 1192 CE LYS B 60 -12.085 10.677 -4.145 1.00 0.00 C ATOM 1193 NZ LYS B 60 -11.924 12.129 -4.419 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.011 7.644 -5.187 1.00 0.00 H new ATOM 0 HA LYS B 60 -7.452 10.338 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -9.709 9.547 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -9.587 8.373 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.386 10.260 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -9.610 11.396 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -11.609 9.213 -2.650 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -11.707 10.853 -2.040 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -11.704 10.105 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -13.145 10.442 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -12.613 12.425 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -12.085 12.667 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -10.961 12.312 -4.765 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.335 8.284 -1.989 1.00 0.00 N ATOM 1208 CA CYS B 61 -6.842 8.159 -0.622 1.00 0.00 C ATOM 1209 C CYS B 61 -5.321 8.102 -0.582 1.00 0.00 C ATOM 1210 O CYS B 61 -4.706 8.384 0.448 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.442 6.927 0.046 1.00 0.00 C ATOM 1212 SG CYS B 61 -9.254 7.011 0.229 1.00 0.00 S ATOM 0 H CYS B 61 -7.836 7.465 -2.334 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.154 9.046 -0.070 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -7.184 6.044 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -6.991 6.801 1.030 1.00 0.00 H new ATOM 1217 N GLN B 62 -4.718 7.737 -1.703 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.276 7.788 -1.837 1.00 0.00 C ATOM 1219 C GLN B 62 -2.801 9.223 -1.660 1.00 0.00 C ATOM 1220 O GLN B 62 -1.937 9.499 -0.833 1.00 0.00 O ATOM 1221 CB GLN B 62 -2.857 7.228 -3.201 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.370 7.357 -3.507 1.00 0.00 C ATOM 1223 CD GLN B 62 -0.996 8.661 -4.200 1.00 0.00 C ATOM 1224 OE1 GLN B 62 0.115 9.164 -4.039 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -1.916 9.217 -4.978 1.00 0.00 N ATOM 0 H GLN B 62 -5.208 7.402 -2.532 1.00 0.00 H new ATOM 0 HA GLN B 62 -2.812 7.174 -1.065 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.135 6.175 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -3.421 7.742 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -0.809 7.277 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -1.064 6.521 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -2.827 8.772 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -1.712 10.089 -5.466 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.411 10.131 -2.413 1.00 0.00 N ATOM 1235 CA ASP B 63 -3.062 11.549 -2.360 1.00 0.00 C ATOM 1236 C ASP B 63 -3.313 12.121 -0.970 1.00 0.00 C ATOM 1237 O ASP B 63 -2.627 13.044 -0.534 1.00 0.00 O ATOM 1238 CB ASP B 63 -3.872 12.330 -3.398 1.00 0.00 C ATOM 1239 CG ASP B 63 -3.617 13.821 -3.338 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -4.459 14.551 -2.773 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -2.571 14.272 -3.859 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.156 9.909 -3.073 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.000 11.646 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -3.627 11.964 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.934 12.141 -3.241 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.289 11.547 -0.280 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.653 11.975 1.064 1.00 0.00 C ATOM 1248 C GLU B 64 -3.468 11.866 2.017 1.00 0.00 C ATOM 1249 O GLU B 64 -3.055 12.844 2.643 1.00 0.00 O ATOM 1250 CB GLU B 64 -5.803 11.110 1.580 1.00 0.00 C ATOM 1251 CG GLU B 64 -7.100 11.300 0.806 1.00 0.00 C ATOM 1252 CD GLU B 64 -7.644 12.712 0.903 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -7.201 13.586 0.126 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -8.525 12.953 1.753 1.00 0.00 O1- ATOM 0 H GLU B 64 -4.850 10.773 -0.635 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.961 13.020 1.019 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.509 10.061 1.530 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.979 11.342 2.630 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -6.931 11.052 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -7.847 10.602 1.182 1.00 0.00 H new ATOM 1261 N LEU B 65 -2.924 10.670 2.098 1.00 0.00 N ATOM 1262 CA LEU B 65 -1.881 10.352 3.059 1.00 0.00 C ATOM 1263 C LEU B 65 -0.480 10.619 2.500 1.00 0.00 C ATOM 1264 O LEU B 65 0.445 10.898 3.259 1.00 0.00 O ATOM 1265 CB LEU B 65 -2.025 8.893 3.473 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.418 8.523 3.985 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -3.673 7.041 3.811 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -3.578 8.922 5.443 1.00 0.00 C ATOM 0 H LEU B 65 -3.191 9.888 1.500 1.00 0.00 H new ATOM 0 HA LEU B 65 -1.999 11.001 3.927 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.783 8.259 2.620 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.294 8.673 4.251 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.154 9.071 3.397 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -4.669 6.797 4.181 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.605 6.782 2.754 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.929 6.475 4.372 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.576 8.650 5.787 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.832 8.404 6.046 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.441 9.999 5.543 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.343 10.530 1.178 1.00 0.00 N ATOM 1281 CA TYR B 66 0.947 10.675 0.480 1.00 0.00 C ATOM 1282 C TYR B 66 1.793 11.836 1.011 1.00 0.00 C ATOM 1283 O TYR B 66 3.007 11.698 1.175 1.00 0.00 O ATOM 1284 CB TYR B 66 0.685 10.860 -1.019 1.00 0.00 C ATOM 1285 CG TYR B 66 1.915 11.126 -1.865 1.00 0.00 C ATOM 1286 CD1 TYR B 66 2.153 12.386 -2.401 1.00 0.00 C ATOM 1287 CD2 TYR B 66 2.817 10.114 -2.149 1.00 0.00 C ATOM 1288 CE1 TYR B 66 3.255 12.622 -3.201 1.00 0.00 C ATOM 1289 CE2 TYR B 66 3.925 10.343 -2.940 1.00 0.00 C ATOM 1290 CZ TYR B 66 4.138 11.596 -3.464 1.00 0.00 C ATOM 1291 OH TYR B 66 5.231 11.822 -4.268 1.00 0.00 O ATOM 0 H TYR B 66 -1.127 10.354 0.550 1.00 0.00 H new ATOM 0 HA TYR B 66 1.522 9.767 0.663 1.00 0.00 H new ATOM 0 HB2 TYR B 66 0.191 9.965 -1.398 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.011 11.688 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR B 66 1.467 13.193 -2.189 1.00 0.00 H new ATOM 0 HD2 TYR B 66 2.650 9.127 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR B 66 3.424 13.604 -3.618 1.00 0.00 H new ATOM 0 HE2 TYR B 66 4.620 9.543 -3.146 1.00 0.00 H new ATOM 0 HH TYR B 66 5.752 10.996 -4.351 1.00 0.00 H new ATOM 1301 N ALA B 67 1.160 12.964 1.294 1.00 0.00 N ATOM 1302 CA ALA B 67 1.887 14.151 1.731 1.00 0.00 C ATOM 1303 C ALA B 67 2.448 13.989 3.147 1.00 0.00 C ATOM 1304 O ALA B 67 3.477 14.578 3.490 1.00 0.00 O ATOM 1305 CB ALA B 67 0.986 15.369 1.656 1.00 0.00 C ATOM 0 H ALA B 67 0.149 13.085 1.230 1.00 0.00 H new ATOM 0 HA ALA B 67 2.735 14.287 1.059 1.00 0.00 H new ATOM 0 HB1 ALA B 67 1.537 16.250 1.984 1.00 0.00 H new ATOM 0 HB2 ALA B 67 0.652 15.512 0.628 1.00 0.00 H new ATOM 0 HB3 ALA B 67 0.120 15.221 2.302 1.00 0.00 H new ATOM 1311 N SER B 68 1.778 13.184 3.959 1.00 0.00 N ATOM 1312 CA SER B 68 2.188 12.972 5.341 1.00 0.00 C ATOM 1313 C SER B 68 3.115 11.762 5.453 1.00 0.00 C ATOM 1314 O SER B 68 3.841 11.607 6.436 1.00 0.00 O ATOM 1315 CB SER B 68 0.954 12.774 6.218 1.00 0.00 C ATOM 1316 OG SER B 68 0.031 13.837 6.041 1.00 0.00 O ATOM 0 H SER B 68 0.944 12.665 3.684 1.00 0.00 H new ATOM 0 HA SER B 68 2.735 13.851 5.682 1.00 0.00 H new ATOM 0 HB2 SER B 68 0.475 11.827 5.971 1.00 0.00 H new ATOM 0 HB3 SER B 68 1.252 12.717 7.265 1.00 0.00 H new ATOM 0 HG SER B 68 -0.752 13.688 6.611 1.00 0.00 H new ATOM 1322 N MET B 69 3.081 10.913 4.434 1.00 0.00 N ATOM 1323 CA MET B 69 3.890 9.701 4.403 1.00 0.00 C ATOM 1324 C MET B 69 5.377 10.031 4.347 1.00 0.00 C ATOM 1325 O MET B 69 5.776 11.029 3.741 1.00 0.00 O ATOM 1326 CB MET B 69 3.508 8.856 3.188 1.00 0.00 C ATOM 1327 CG MET B 69 2.116 8.258 3.270 1.00 0.00 C ATOM 1328 SD MET B 69 1.648 7.386 1.765 1.00 0.00 S ATOM 1329 CE MET B 69 2.920 6.130 1.699 1.00 0.00 C ATOM 0 H MET B 69 2.495 11.044 3.609 1.00 0.00 H new ATOM 0 HA MET B 69 3.697 9.142 5.318 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.576 9.473 2.292 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.233 8.050 3.075 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.069 7.570 4.114 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.395 9.051 3.465 1.00 0.00 H new ATOM 0 HE1 MET B 69 2.769 5.505 0.819 1.00 0.00 H new ATOM 0 HE2 MET B 69 3.899 6.606 1.642 1.00 0.00 H new ATOM 0 HE3 MET B 69 2.869 5.513 2.596 1.00 0.00 H new ATOM 1339 N PRO B 70 6.214 9.194 4.982 1.00 0.00 N ATOM 1340 CA PRO B 70 7.671 9.361 4.969 1.00 0.00 C ATOM 1341 C PRO B 70 8.273 9.008 3.615 1.00 0.00 C ATOM 1342 O PRO B 70 7.560 8.534 2.733 1.00 0.00 O ATOM 1343 CB PRO B 70 8.147 8.375 6.033 1.00 0.00 C ATOM 1344 CG PRO B 70 7.108 7.311 6.036 1.00 0.00 C ATOM 1345 CD PRO B 70 5.807 8.012 5.762 1.00 0.00 C ATOM 0 HA PRO B 70 7.969 10.392 5.159 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.130 7.971 5.790 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.231 8.852 7.009 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.315 6.559 5.275 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.080 6.794 6.995 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.119 7.378 5.202 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.301 8.294 6.685 1.00 0.00 H new ATOM 1353 N ASP B 71 9.572 9.219 3.453 1.00 0.00 N ATOM 1354 CA ASP B 71 10.229 8.970 2.170 1.00 0.00 C ATOM 1355 C ASP B 71 10.120 7.505 1.771 1.00 0.00 C ATOM 1356 O ASP B 71 9.757 7.178 0.637 1.00 0.00 O ATOM 1357 CB ASP B 71 11.702 9.374 2.230 1.00 0.00 C ATOM 1358 CG ASP B 71 12.376 9.312 0.873 1.00 0.00 C ATOM 1359 OD1 ASP B 71 11.938 10.039 -0.047 1.00 0.00 O ATOM 1360 OD2 ASP B 71 13.369 8.569 0.726 1.00 0.00 O1- ATOM 0 H ASP B 71 10.192 9.560 4.188 1.00 0.00 H new ATOM 0 HA ASP B 71 9.721 9.576 1.419 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.782 10.386 2.626 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.228 8.718 2.924 1.00 0.00 H new ATOM 1365 N LYS B 72 10.414 6.628 2.714 1.00 0.00 N ATOM 1366 CA LYS B 72 10.425 5.202 2.441 1.00 0.00 C ATOM 1367 C LYS B 72 9.469 4.468 3.372 1.00 0.00 C ATOM 1368 O LYS B 72 9.162 4.941 4.470 1.00 0.00 O ATOM 1369 CB LYS B 72 11.843 4.651 2.575 1.00 0.00 C ATOM 1370 CG LYS B 72 12.848 5.333 1.658 1.00 0.00 C ATOM 1371 CD LYS B 72 14.245 4.762 1.836 1.00 0.00 C ATOM 1372 CE LYS B 72 15.234 5.384 0.862 1.00 0.00 C ATOM 1373 NZ LYS B 72 15.401 6.846 1.080 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.648 6.878 3.675 1.00 0.00 H new ATOM 0 HA LYS B 72 10.087 5.041 1.417 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.172 4.763 3.608 1.00 0.00 H new ATOM 0 HB3 LYS B 72 11.831 3.583 2.358 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.535 5.213 0.621 1.00 0.00 H new ATOM 0 HG3 LYS B 72 12.863 6.403 1.865 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.582 4.936 2.858 1.00 0.00 H new ATOM 0 HD3 LYS B 72 14.219 3.682 1.688 1.00 0.00 H new ATOM 0 HE2 LYS B 72 16.201 4.891 0.966 1.00 0.00 H new ATOM 0 HE3 LYS B 72 14.894 5.208 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 16.212 7.189 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 14.539 7.343 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 15.569 7.029 2.090 1.00 0.00 H new ATOM 1387 N ILE B 73 9.008 3.312 2.923 1.00 0.00 N ATOM 1388 CA ILE B 73 7.980 2.561 3.620 1.00 0.00 C ATOM 1389 C ILE B 73 8.474 1.163 3.975 1.00 0.00 C ATOM 1390 O ILE B 73 8.755 0.353 3.093 1.00 0.00 O ATOM 1391 CB ILE B 73 6.712 2.435 2.742 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.199 3.816 2.325 1.00 0.00 C ATOM 1393 CG2 ILE B 73 5.622 1.663 3.469 1.00 0.00 C ATOM 1394 CD1 ILE B 73 5.759 4.690 3.478 1.00 0.00 C ATOM 0 H ILE B 73 9.337 2.869 2.065 1.00 0.00 H new ATOM 0 HA ILE B 73 7.741 3.102 4.536 1.00 0.00 H new ATOM 0 HB ILE B 73 6.982 1.882 1.843 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.985 4.331 1.773 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.360 3.688 1.641 1.00 0.00 H new ATOM 0 HG21 ILE B 73 4.742 1.588 2.831 1.00 0.00 H new ATOM 0 HG22 ILE B 73 5.983 0.663 3.708 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.360 2.184 4.390 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.410 5.649 3.095 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.950 4.199 4.018 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.599 4.853 4.153 1.00 0.00 H new ATOM 1406 N ASN B 74 8.583 0.885 5.266 1.00 0.00 N ATOM 1407 CA ASN B 74 8.953 -0.444 5.730 1.00 0.00 C ATOM 1408 C ASN B 74 7.695 -1.260 5.988 1.00 0.00 C ATOM 1409 O ASN B 74 6.591 -0.760 5.790 1.00 0.00 O ATOM 1410 CB ASN B 74 9.800 -0.363 7.002 1.00 0.00 C ATOM 1411 CG ASN B 74 11.163 0.252 6.758 1.00 0.00 C ATOM 1412 OD1 ASN B 74 12.125 -0.446 6.434 1.00 0.00 O ATOM 1413 ND2 ASN B 74 11.260 1.562 6.924 1.00 0.00 N ATOM 0 H ASN B 74 8.420 1.562 6.011 1.00 0.00 H new ATOM 0 HA ASN B 74 9.550 -0.930 4.958 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.269 0.225 7.750 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.926 -1.364 7.414 1.00 0.00 H new ATOM 0 HD21 ASN B 74 12.156 2.029 6.783 1.00 0.00 H new ATOM 0 HD22 ASN B 74 10.439 2.104 7.193 1.00 0.00 H new ATOM 1420 N SER B 75 7.845 -2.500 6.431 1.00 0.00 N ATOM 1421 CA SER B 75 6.690 -3.353 6.685 1.00 0.00 C ATOM 1422 C SER B 75 5.799 -2.753 7.775 1.00 0.00 C ATOM 1423 O SER B 75 4.569 -2.756 7.662 1.00 0.00 O ATOM 1424 CB SER B 75 7.149 -4.759 7.068 1.00 0.00 C ATOM 1425 OG SER B 75 7.890 -5.349 6.010 1.00 0.00 O ATOM 0 H SER B 75 8.747 -2.936 6.621 1.00 0.00 H new ATOM 0 HA SER B 75 6.099 -3.419 5.772 1.00 0.00 H new ATOM 0 HB2 SER B 75 7.762 -4.714 7.968 1.00 0.00 H new ATOM 0 HB3 SER B 75 6.283 -5.379 7.303 1.00 0.00 H new ATOM 0 HG SER B 75 8.177 -6.248 6.274 1.00 0.00 H new ATOM 1431 N GLU B 76 6.429 -2.213 8.814 1.00 0.00 N ATOM 1432 CA GLU B 76 5.713 -1.517 9.877 1.00 0.00 C ATOM 1433 C GLU B 76 4.998 -0.296 9.309 1.00 0.00 C ATOM 1434 O GLU B 76 3.841 -0.019 9.632 1.00 0.00 O ATOM 1435 CB GLU B 76 6.691 -1.077 10.969 1.00 0.00 C ATOM 1436 CG GLU B 76 6.033 -0.357 12.137 1.00 0.00 C ATOM 1437 CD GLU B 76 7.045 0.241 13.094 1.00 0.00 C ATOM 1438 OE1 GLU B 76 7.574 -0.499 13.947 1.00 0.00 O ATOM 1439 OE2 GLU B 76 7.323 1.456 12.996 1.00 0.00 O1- ATOM 0 H GLU B 76 7.440 -2.245 8.942 1.00 0.00 H new ATOM 0 HA GLU B 76 4.978 -2.197 10.308 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.217 -1.954 11.346 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.441 -0.421 10.527 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.387 0.434 11.755 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.395 -1.056 12.678 1.00 0.00 H new ATOM 1446 N THR B 77 5.697 0.413 8.437 1.00 0.00 N ATOM 1447 CA THR B 77 5.189 1.638 7.855 1.00 0.00 C ATOM 1448 C THR B 77 4.010 1.338 6.934 1.00 0.00 C ATOM 1449 O THR B 77 3.011 2.059 6.924 1.00 0.00 O ATOM 1450 CB THR B 77 6.297 2.345 7.055 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.559 2.169 7.717 1.00 0.00 O ATOM 1452 CG2 THR B 77 6.008 3.830 6.914 1.00 0.00 C ATOM 0 H THR B 77 6.630 0.154 8.116 1.00 0.00 H new ATOM 0 HA THR B 77 4.855 2.290 8.662 1.00 0.00 H new ATOM 0 HB THR B 77 6.332 1.902 6.060 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.135 2.941 7.534 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.807 4.304 6.344 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.060 3.968 6.393 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.949 4.285 7.903 1.00 0.00 H new ATOM 1460 N ALA B 78 4.138 0.252 6.183 1.00 0.00 N ATOM 1461 CA ALA B 78 3.109 -0.190 5.255 1.00 0.00 C ATOM 1462 C ALA B 78 1.784 -0.405 5.968 1.00 0.00 C ATOM 1463 O ALA B 78 0.752 0.109 5.543 1.00 0.00 O ATOM 1464 CB ALA B 78 3.554 -1.469 4.564 1.00 0.00 C ATOM 0 H ALA B 78 4.962 -0.349 6.201 1.00 0.00 H new ATOM 0 HA ALA B 78 2.962 0.589 4.506 1.00 0.00 H new ATOM 0 HB1 ALA B 78 2.780 -1.796 3.870 1.00 0.00 H new ATOM 0 HB2 ALA B 78 4.478 -1.284 4.016 1.00 0.00 H new ATOM 0 HB3 ALA B 78 3.724 -2.245 5.310 1.00 0.00 H new ATOM 1470 N GLY B 79 1.826 -1.147 7.067 1.00 0.00 N ATOM 1471 CA GLY B 79 0.623 -1.408 7.832 1.00 0.00 C ATOM 1472 C GLY B 79 0.043 -0.142 8.431 1.00 0.00 C ATOM 1473 O GLY B 79 -1.175 0.021 8.492 1.00 0.00 O ATOM 0 H GLY B 79 2.673 -1.573 7.442 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -0.121 -1.878 7.188 1.00 0.00 H new ATOM 0 HA3 GLY B 79 0.847 -2.116 8.630 1.00 0.00 H new ATOM 1477 N THR B 80 0.922 0.761 8.848 1.00 0.00 N ATOM 1478 CA THR B 80 0.510 2.009 9.476 1.00 0.00 C ATOM 1479 C THR B 80 -0.302 2.879 8.512 1.00 0.00 C ATOM 1480 O THR B 80 -1.301 3.485 8.900 1.00 0.00 O ATOM 1481 CB THR B 80 1.736 2.801 9.982 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.501 1.992 10.890 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.312 4.083 10.684 1.00 0.00 C ATOM 0 H THR B 80 1.932 0.650 8.761 1.00 0.00 H new ATOM 0 HA THR B 80 -0.123 1.750 10.325 1.00 0.00 H new ATOM 0 HB THR B 80 2.345 3.064 9.118 1.00 0.00 H new ATOM 0 HG1 THR B 80 2.870 1.221 10.410 1.00 0.00 H new ATOM 0 HG21 THR B 80 2.196 4.619 11.029 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.755 4.711 9.989 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.680 3.838 11.538 1.00 0.00 H new ATOM 1491 N TRP B 81 0.123 2.943 7.259 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.562 3.774 6.277 1.00 0.00 C ATOM 1493 C TRP B 81 -1.648 3.008 5.541 1.00 0.00 C ATOM 1494 O TRP B 81 -2.694 3.567 5.247 1.00 0.00 O ATOM 1495 CB TRP B 81 0.435 4.389 5.300 1.00 0.00 C ATOM 1496 CG TRP B 81 1.357 5.348 5.983 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.630 5.108 6.405 1.00 0.00 C ATOM 1498 CD2 TRP B 81 1.057 6.695 6.354 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.144 6.226 7.014 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.197 7.217 6.992 1.00 0.00 C ATOM 1501 CE3 TRP B 81 -0.065 7.511 6.205 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.244 8.520 7.480 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.019 8.802 6.688 1.00 0.00 C ATOM 1504 CH2 TRP B 81 1.129 9.298 7.319 1.00 0.00 C ATOM 0 H TRP B 81 0.931 2.435 6.899 1.00 0.00 H new ATOM 0 HA TRP B 81 -1.054 4.581 6.820 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.017 3.598 4.828 1.00 0.00 H new ATOM 0 HB3 TRP B 81 -0.104 4.905 4.506 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.158 4.174 6.279 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.078 6.306 7.417 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -0.955 7.138 5.720 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 3.128 8.903 7.968 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -0.883 9.441 6.578 1.00 0.00 H new ATOM 0 HH2 TRP B 81 1.135 10.314 7.686 1.00 0.00 H new ATOM 1515 N GLY B 82 -1.411 1.732 5.269 1.00 0.00 N ATOM 1516 CA GLY B 82 -2.398 0.922 4.570 1.00 0.00 C ATOM 1517 C GLY B 82 -3.695 0.787 5.346 1.00 0.00 C ATOM 1518 O GLY B 82 -4.757 0.617 4.753 1.00 0.00 O ATOM 0 H GLY B 82 -0.553 1.240 5.519 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -2.605 1.367 3.597 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.984 -0.069 4.385 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.621 0.861 6.673 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.826 0.827 7.497 1.00 0.00 C ATOM 1524 C ARG B 83 -5.620 2.122 7.317 1.00 0.00 C ATOM 1525 O ARG B 83 -6.833 2.088 7.118 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.483 0.595 8.979 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.631 1.690 9.591 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.308 1.424 11.051 1.00 0.00 C ATOM 1529 NE ARG B 83 -2.614 2.560 11.656 1.00 0.00 N ATOM 1530 CZ ARG B 83 -2.201 2.605 12.921 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -2.408 1.578 13.736 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -1.582 3.689 13.372 1.00 0.00 N ATOM 0 H ARG B 83 -2.749 0.944 7.196 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.442 -0.010 7.170 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.409 0.509 9.547 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.960 -0.356 9.076 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.703 1.782 9.027 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -4.152 2.643 9.505 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -4.229 1.224 11.599 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.688 0.531 11.132 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.434 3.374 11.068 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -2.887 0.745 13.395 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -2.088 1.622 14.703 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -1.425 4.482 12.750 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -1.264 3.729 14.340 1.00 0.00 H new ATOM 1546 N SER B 84 -4.922 3.258 7.358 1.00 0.00 N ATOM 1547 CA SER B 84 -5.542 4.561 7.133 1.00 0.00 C ATOM 1548 C SER B 84 -6.041 4.651 5.693 1.00 0.00 C ATOM 1549 O SER B 84 -7.133 5.149 5.412 1.00 0.00 O ATOM 1550 CB SER B 84 -4.518 5.668 7.411 1.00 0.00 C ATOM 1551 OG SER B 84 -3.993 5.556 8.726 1.00 0.00 O ATOM 0 H SER B 84 -3.920 3.300 7.546 1.00 0.00 H new ATOM 0 HA SER B 84 -6.390 4.684 7.806 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.707 5.609 6.685 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.988 6.643 7.285 1.00 0.00 H new ATOM 0 HG SER B 84 -3.341 6.271 8.880 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.218 4.138 4.801 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.507 4.071 3.383 1.00 0.00 C ATOM 1559 C LEU B 85 -6.768 3.246 3.132 1.00 0.00 C ATOM 1560 O LEU B 85 -7.653 3.658 2.382 1.00 0.00 O ATOM 1561 CB LEU B 85 -4.282 3.444 2.702 1.00 0.00 C ATOM 1562 CG LEU B 85 -4.253 3.453 1.182 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -4.459 4.861 0.651 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -2.930 2.894 0.683 1.00 0.00 C ATOM 0 H LEU B 85 -4.309 3.747 5.048 1.00 0.00 H new ATOM 0 HA LEU B 85 -5.696 5.064 2.975 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -3.393 3.964 3.060 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -4.202 2.409 3.036 1.00 0.00 H new ATOM 0 HG LEU B 85 -5.065 2.825 0.816 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -4.435 4.846 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -5.424 5.239 0.987 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.666 5.510 1.023 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.919 2.904 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -2.111 3.506 1.060 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.811 1.870 1.037 1.00 0.00 H new ATOM 1576 N GLY B 86 -6.847 2.093 3.783 1.00 0.00 N ATOM 1577 CA GLY B 86 -7.988 1.218 3.626 1.00 0.00 C ATOM 1578 C GLY B 86 -9.271 1.791 4.201 1.00 0.00 C ATOM 1579 O GLY B 86 -10.302 1.791 3.527 1.00 0.00 O ATOM 0 H GLY B 86 -6.132 1.747 4.423 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.134 1.011 2.566 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.775 0.265 4.111 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.218 2.289 5.437 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.417 2.810 6.096 1.00 0.00 C ATOM 1585 C GLU B 87 -10.976 4.011 5.336 1.00 0.00 C ATOM 1586 O GLU B 87 -12.191 4.195 5.256 1.00 0.00 O ATOM 1587 CB GLU B 87 -10.131 3.186 7.557 1.00 0.00 C ATOM 1588 CG GLU B 87 -9.078 4.269 7.724 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.912 4.709 9.163 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -8.024 4.180 9.860 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -9.674 5.591 9.608 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.367 2.343 5.997 1.00 0.00 H new ATOM 0 HA GLU B 87 -11.166 2.018 6.092 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -11.058 3.520 8.023 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.808 2.294 8.094 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -8.123 3.902 7.349 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -9.350 5.131 7.114 1.00 0.00 H new ATOM 1598 N CYS B 88 -10.082 4.810 4.763 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.479 5.947 3.945 1.00 0.00 C ATOM 1600 C CYS B 88 -11.315 5.479 2.756 1.00 0.00 C ATOM 1601 O CYS B 88 -12.375 6.039 2.459 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.237 6.703 3.463 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.588 8.009 2.239 1.00 0.00 S ATOM 0 H CYS B 88 -9.073 4.689 4.852 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.087 6.621 4.548 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.741 7.151 4.324 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.537 5.990 3.027 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.842 4.428 2.097 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.536 3.856 0.953 1.00 0.00 C ATOM 1610 C ILE B 89 -12.842 3.199 1.385 1.00 0.00 C ATOM 1611 O ILE B 89 -13.863 3.315 0.707 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.658 2.813 0.241 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.402 3.477 -0.320 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.441 2.126 -0.866 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.355 2.493 -0.782 1.00 0.00 C ATOM 0 H ILE B 89 -9.973 3.952 2.339 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.753 4.671 0.263 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.356 2.056 0.965 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.682 4.117 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.970 4.123 0.444 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.805 1.391 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -12.311 1.625 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.770 2.868 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.492 3.035 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -8.047 1.869 0.057 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.770 1.863 -1.569 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.798 2.516 2.523 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.975 1.853 3.053 1.00 0.00 C ATOM 1629 C GLY B 90 -15.127 2.809 3.278 1.00 0.00 C ATOM 1630 O GLY B 90 -16.292 2.421 3.189 1.00 0.00 O ATOM 0 H GLY B 90 -11.959 2.409 3.093 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.287 1.069 2.364 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.721 1.367 3.995 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.800 4.061 3.565 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.811 5.097 3.736 1.00 0.00 C ATOM 1636 C LYS B 91 -16.448 5.428 2.397 1.00 0.00 C ATOM 1637 O LYS B 91 -17.672 5.460 2.264 1.00 0.00 O ATOM 1638 CB LYS B 91 -15.197 6.366 4.330 1.00 0.00 C ATOM 1639 CG LYS B 91 -14.679 6.197 5.747 1.00 0.00 C ATOM 1640 CD LYS B 91 -14.086 7.493 6.285 1.00 0.00 C ATOM 1641 CE LYS B 91 -15.140 8.579 6.448 1.00 0.00 C ATOM 1642 NZ LYS B 91 -16.192 8.190 7.422 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.840 4.385 3.685 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.570 4.719 4.421 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -14.377 6.694 3.691 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -15.945 7.158 4.320 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.492 5.871 6.396 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -13.921 5.414 5.767 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -13.611 7.302 7.247 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -13.307 7.843 5.608 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -14.662 9.501 6.779 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -15.599 8.787 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -16.750 9.028 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -16.817 7.478 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -15.747 7.791 8.273 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.600 5.638 1.398 1.00 0.00 N ATOM 1657 CA ASP B 92 -16.056 6.054 0.077 1.00 0.00 C ATOM 1658 C ASP B 92 -16.847 4.941 -0.587 1.00 0.00 C ATOM 1659 O ASP B 92 -17.937 5.165 -1.113 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.868 6.450 -0.807 1.00 0.00 C ATOM 1661 CG ASP B 92 -15.301 6.911 -2.185 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -16.190 7.784 -2.272 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -14.751 6.417 -3.189 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.589 5.527 1.478 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.703 6.922 0.200 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -14.306 7.247 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -14.193 5.600 -0.907 1.00 0.00 H new ATOM 1668 N PHE B 93 -16.292 3.741 -0.536 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.927 2.563 -1.105 1.00 0.00 C ATOM 1670 C PHE B 93 -18.303 2.319 -0.488 1.00 0.00 C ATOM 1671 O PHE B 93 -19.265 1.999 -1.195 1.00 0.00 O ATOM 1672 CB PHE B 93 -16.035 1.342 -0.882 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.610 0.069 -1.424 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -16.561 -0.200 -2.780 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -17.195 -0.859 -0.578 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -17.080 -1.371 -3.284 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -17.718 -2.033 -1.077 1.00 0.00 C ATOM 1678 CZ PHE B 93 -17.660 -2.288 -2.433 1.00 0.00 C ATOM 0 H PHE B 93 -15.389 3.556 -0.099 1.00 0.00 H new ATOM 0 HA PHE B 93 -17.063 2.732 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -15.066 1.521 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.857 1.224 0.187 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -16.111 0.517 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -17.242 -0.661 0.483 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -17.033 -1.571 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -18.172 -2.751 -0.410 1.00 0.00 H new ATOM 0 HZ PHE B 93 -18.069 -3.206 -2.827 1.00 0.00 H new ATOM 1688 N ALA B 94 -18.393 2.473 0.828 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.640 2.235 1.539 1.00 0.00 C ATOM 1690 C ALA B 94 -20.723 3.193 1.076 1.00 0.00 C ATOM 1691 O ALA B 94 -21.802 2.773 0.668 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.437 2.362 3.039 1.00 0.00 C ATOM 0 H ALA B 94 -17.616 2.762 1.423 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.961 1.218 1.314 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.382 2.180 3.551 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.699 1.631 3.369 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -19.084 3.366 3.275 1.00 0.00 H new ATOM 1698 N GLU B 95 -20.419 4.479 1.110 1.00 0.00 N ATOM 1699 CA GLU B 95 -21.385 5.497 0.735 1.00 0.00 C ATOM 1700 C GLU B 95 -21.708 5.434 -0.757 1.00 0.00 C ATOM 1701 O GLU B 95 -22.708 5.989 -1.209 1.00 0.00 O ATOM 1702 CB GLU B 95 -20.857 6.874 1.123 1.00 0.00 C ATOM 1703 CG GLU B 95 -20.563 6.987 2.610 1.00 0.00 C ATOM 1704 CD GLU B 95 -20.084 8.363 3.013 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -18.855 8.571 3.103 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -20.934 9.245 3.250 1.00 0.00 O1- ATOM 0 H GLU B 95 -19.510 4.843 1.394 1.00 0.00 H new ATOM 0 HA GLU B 95 -22.314 5.310 1.274 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -19.948 7.083 0.559 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -21.588 7.632 0.842 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -21.464 6.742 3.173 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -19.807 6.251 2.883 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.862 4.745 -1.510 1.00 0.00 N ATOM 1714 CA LYS B 96 -21.090 4.550 -2.932 1.00 0.00 C ATOM 1715 C LYS B 96 -22.075 3.415 -3.192 1.00 0.00 C ATOM 1716 O LYS B 96 -23.210 3.652 -3.604 1.00 0.00 O ATOM 1717 CB LYS B 96 -19.772 4.269 -3.657 1.00 0.00 C ATOM 1718 CG LYS B 96 -19.073 5.519 -4.168 1.00 0.00 C ATOM 1719 CD LYS B 96 -17.703 5.199 -4.740 1.00 0.00 C ATOM 1720 CE LYS B 96 -17.149 6.360 -5.551 1.00 0.00 C ATOM 1721 NZ LYS B 96 -17.101 7.623 -4.769 1.00 0.00 N1+ ATOM 0 H LYS B 96 -20.009 4.311 -1.157 1.00 0.00 H new ATOM 0 HA LYS B 96 -21.523 5.472 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.101 3.740 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.966 3.603 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.687 5.992 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -18.970 6.237 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.016 4.961 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.770 4.313 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -16.146 6.112 -5.898 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.765 6.508 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -16.214 8.125 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -17.908 8.224 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -17.148 7.404 -3.753 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.654 2.185 -2.932 1.00 0.00 N ATOM 1736 CA HIS B 97 -22.437 1.031 -3.353 1.00 0.00 C ATOM 1737 C HIS B 97 -23.209 0.400 -2.196 1.00 0.00 C ATOM 1738 O HIS B 97 -24.236 -0.235 -2.420 1.00 0.00 O ATOM 1739 CB HIS B 97 -21.537 -0.009 -4.016 1.00 0.00 C ATOM 1740 CG HIS B 97 -22.229 -0.819 -5.075 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -23.054 -1.889 -4.982 1.00 0.00 N flip ATOM 1742 CD2 HIS B 97 -22.089 -0.568 -6.422 1.00 0.00 C flip ATOM 1743 CE1 HIS B 97 -23.391 -2.259 -6.262 1.00 0.00 C flip ATOM 1744 NE2 HIS B 97 -22.794 -1.445 -7.110 1.00 0.00 N flip ATOM 0 H HIS B 97 -20.789 1.962 -2.440 1.00 0.00 H new ATOM 0 HA HIS B 97 -23.171 1.388 -4.076 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -20.679 0.496 -4.460 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -21.150 -0.682 -3.251 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -21.493 0.225 -6.849 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -24.038 -3.081 -6.529 1.00 0.00 H new ATOM 0 HE2 HIS B 97 -22.865 -1.486 -8.127 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.734 0.567 -0.967 1.00 0.00 N ATOM 1754 CA LEU B 98 -23.424 -0.028 0.176 1.00 0.00 C ATOM 1755 C LEU B 98 -24.609 0.834 0.588 1.00 0.00 C ATOM 1756 O LEU B 98 -25.630 0.322 1.042 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.485 -0.196 1.373 1.00 0.00 C ATOM 1758 CG LEU B 98 -21.299 -1.140 1.166 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.473 -1.224 2.436 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.771 -2.526 0.761 1.00 0.00 C ATOM 0 H LEU B 98 -21.893 1.097 -0.737 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.774 -1.013 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -22.099 0.786 1.648 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -23.069 -0.558 2.220 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.682 -0.740 0.362 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.631 -1.898 2.279 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -20.101 -0.233 2.694 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -21.093 -1.601 3.249 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -20.908 -3.177 0.620 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.411 -2.935 1.543 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.333 -2.461 -0.171 1.00 0.00 H new ATOM 1772 N ILE B 99 -24.463 2.142 0.434 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.569 3.058 0.649 1.00 0.00 C ATOM 1774 C ILE B 99 -26.293 3.329 -0.669 1.00 0.00 C ATOM 1775 O ILE B 99 -25.747 3.980 -1.563 1.00 0.00 O ATOM 1776 CB ILE B 99 -25.103 4.389 1.280 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -24.398 4.120 2.615 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -26.288 5.324 1.480 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -23.997 5.375 3.363 1.00 0.00 C ATOM 0 H ILE B 99 -23.589 2.591 0.161 1.00 0.00 H new ATOM 0 HA ILE B 99 -26.255 2.583 1.350 1.00 0.00 H new ATOM 0 HB ILE B 99 -24.397 4.871 0.604 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -25.057 3.526 3.249 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -23.507 3.520 2.430 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -25.944 6.257 1.925 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -26.754 5.532 0.517 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -27.015 4.853 2.141 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -23.505 5.101 4.296 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -23.312 5.961 2.750 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -24.885 5.968 3.582 1.00 0.00 H new ATOM 1791 N PRO B 100 -27.517 2.808 -0.823 1.00 0.00 N ATOM 1792 CA PRO B 100 -28.319 3.025 -2.025 1.00 0.00 C ATOM 1793 C PRO B 100 -29.071 4.356 -2.004 1.00 0.00 C ATOM 1794 O PRO B 100 -29.463 4.875 -3.053 1.00 0.00 O ATOM 1795 CB PRO B 100 -29.296 1.854 -1.993 1.00 0.00 C ATOM 1796 CG PRO B 100 -29.485 1.553 -0.547 1.00 0.00 C ATOM 1797 CD PRO B 100 -28.199 1.929 0.146 1.00 0.00 C ATOM 0 HA PRO B 100 -27.706 3.073 -2.925 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -30.241 2.115 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -28.897 0.992 -2.527 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -30.323 2.119 -0.140 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -29.711 0.497 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -28.389 2.444 1.088 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -27.599 1.049 0.379 1.00 0.00 H new ATOM 1805 N LYS B 101 -29.269 4.906 -0.811 1.00 0.00 N ATOM 1806 CA LYS B 101 -30.016 6.146 -0.658 1.00 0.00 C ATOM 1807 C LYS B 101 -29.069 7.283 -0.282 1.00 0.00 C ATOM 1808 O LYS B 101 -28.894 7.542 0.924 1.00 0.00 O ATOM 1809 CB LYS B 101 -31.101 5.991 0.417 1.00 0.00 C ATOM 1810 CG LYS B 101 -31.887 4.689 0.326 1.00 0.00 C ATOM 1811 CD LYS B 101 -32.655 4.561 -0.980 1.00 0.00 C ATOM 1812 CE LYS B 101 -33.319 3.196 -1.091 1.00 0.00 C ATOM 1813 NZ LYS B 101 -34.129 3.065 -2.332 1.00 0.00 N1+ ATOM 1814 OXT LYS B 101 -28.483 7.899 -1.198 1.00 0.00 O ATOM 0 H LYS B 101 -28.922 4.512 0.063 1.00 0.00 H new ATOM 0 HA LYS B 101 -30.497 6.381 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS B 101 -30.634 6.053 1.400 1.00 0.00 H new ATOM 0 HB3 LYS B 101 -31.795 6.828 0.340 1.00 0.00 H new ATOM 0 HG2 LYS B 101 -31.202 3.847 0.424 1.00 0.00 H new ATOM 0 HG3 LYS B 101 -32.585 4.631 1.161 1.00 0.00 H new ATOM 0 HD2 LYS B 101 -33.412 5.343 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS B 101 -31.977 4.709 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS B 101 -32.554 2.419 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS B 101 -33.958 3.033 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 -34.562 2.120 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 -34.876 3.789 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 -33.516 3.194 -3.162 1.00 0.00 H new TER 1828 LYS B 101