USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 MET CE :methyl 166:sc=-0.00948 (180deg=-0.252) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot -6:sc= 1.92 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -155:sc= 1.64 (180deg=0.885) USER MOD Set 4.1: A 43 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 4.2: A 46 MET CE :methyl 174:sc= 0 (180deg=-0.0548) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.018) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -169:sc=-0.00233 (180deg=-0.18) USER MOD Single : A 54 HIS : no HD1:sc=-0.00921 X(o=-0.0092,f=-0.19) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.591 K(o=0.59,f=-0.73) USER MOD Single : A 64 GLN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.439! X(o=-0.44!,f=-0.045) USER MOD Single : A 69 GLN : amide:sc= -0.0275 K(o=-0.027,f=-1.8) USER MOD Single : A 71 GLN : amide:sc= 0.26 K(o=0.26,f=-3.1!) USER MOD Single : A 72 HIS : no HD1:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.242 USER MOD Single : A 88 GLN : amide:sc= 0.77 K(o=0.77,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.529 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.298 X(o=0.3,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 25 12.294 2.983 5.582 1.00 0.00 N ATOM 38 CA ASN A 25 11.984 1.936 4.597 1.00 0.00 C ATOM 39 C ASN A 25 11.445 2.510 3.267 1.00 0.00 C ATOM 40 O ASN A 25 10.354 2.188 2.801 1.00 0.00 O ATOM 41 CB ASN A 25 11.069 0.887 5.260 1.00 0.00 C ATOM 42 CG ASN A 25 11.543 0.455 6.643 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.893 0.702 7.650 1.00 0.00 O ATOM 44 ND2 ASN A 25 12.703 -0.153 6.755 1.00 0.00 N ATOM 0 HA ASN A 25 12.902 1.430 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.061 1.294 5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.008 0.010 4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.055 -0.415 7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.251 -0.363 5.921 1.00 0.00 H new ATOM 51 N GLN A 26 12.156 3.515 2.767 1.00 0.00 N ATOM 52 CA GLN A 26 11.839 4.437 1.664 1.00 0.00 C ATOM 53 C GLN A 26 13.147 5.128 1.213 1.00 0.00 C ATOM 54 O GLN A 26 14.233 4.709 1.620 1.00 0.00 O ATOM 55 CB GLN A 26 10.700 5.399 2.073 1.00 0.00 C ATOM 56 CG GLN A 26 10.780 5.984 3.496 1.00 0.00 C ATOM 57 CD GLN A 26 9.622 5.595 4.426 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.211 4.343 4.482 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 9.101 6.414 5.169 1.00 0.00 N flip ATOM 0 H GLN A 26 13.070 3.733 3.163 1.00 0.00 H new ATOM 0 HA GLN A 26 11.449 3.905 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.679 6.226 1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.752 4.870 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.716 5.662 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.818 7.071 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.401 7.388 5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.366 6.123 5.813 1.00 0.00 H new ATOM 68 N VAL A 27 13.087 6.122 0.321 1.00 0.00 N ATOM 69 CA VAL A 27 14.280 6.686 -0.349 1.00 0.00 C ATOM 70 C VAL A 27 14.834 7.881 0.452 1.00 0.00 C ATOM 71 O VAL A 27 14.239 8.306 1.441 1.00 0.00 O ATOM 72 CB VAL A 27 13.951 7.072 -1.820 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.186 7.122 -2.734 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.955 6.114 -2.492 1.00 0.00 C ATOM 0 H VAL A 27 12.212 6.564 0.038 1.00 0.00 H new ATOM 0 HA VAL A 27 15.060 5.925 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 27 13.516 8.066 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.881 7.397 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.891 7.862 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.664 6.142 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.770 6.441 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.370 5.106 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.018 6.114 -1.936 1.00 0.00 H new ATOM 84 N ARG A 28 16.036 8.338 0.074 1.00 0.00 N ATOM 85 CA ARG A 28 16.780 9.543 0.497 1.00 0.00 C ATOM 86 C ARG A 28 17.929 9.804 -0.516 1.00 0.00 C ATOM 87 O ARG A 28 18.544 8.832 -0.960 1.00 0.00 O ATOM 88 CB ARG A 28 17.345 9.332 1.925 1.00 0.00 C ATOM 89 CG ARG A 28 18.269 10.476 2.388 1.00 0.00 C ATOM 90 CD ARG A 28 18.664 10.439 3.868 1.00 0.00 C ATOM 91 NE ARG A 28 19.399 9.210 4.240 1.00 0.00 N ATOM 92 CZ ARG A 28 20.358 9.094 5.143 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.829 10.110 5.810 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.858 7.921 5.395 1.00 0.00 N ATOM 0 H ARG A 28 16.576 7.815 -0.615 1.00 0.00 H new ATOM 0 HA ARG A 28 16.117 10.408 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.516 9.237 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.897 8.393 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.177 10.454 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.774 11.426 2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.282 11.308 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.766 10.518 4.480 1.00 0.00 H new ATOM 0 HE ARG A 28 19.137 8.358 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.457 11.045 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.570 9.970 6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.510 7.101 4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.598 7.821 6.090 1.00 0.00 H new ATOM 108 N PRO A 29 18.236 11.066 -0.885 1.00 0.00 N ATOM 109 CA PRO A 29 19.249 11.401 -1.896 1.00 0.00 C ATOM 110 C PRO A 29 20.586 11.899 -1.303 1.00 0.00 C ATOM 111 O PRO A 29 20.706 12.132 -0.097 1.00 0.00 O ATOM 112 CB PRO A 29 18.571 12.516 -2.699 1.00 0.00 C ATOM 113 CG PRO A 29 17.883 13.321 -1.601 1.00 0.00 C ATOM 114 CD PRO A 29 17.450 12.258 -0.590 1.00 0.00 C ATOM 0 HA PRO A 29 19.533 10.525 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.292 13.116 -3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.859 12.122 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.561 14.048 -1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.029 13.878 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.627 12.597 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.383 12.051 -0.676 1.00 0.00 H new ATOM 122 N LYS A 30 21.572 12.123 -2.184 1.00 0.00 N ATOM 123 CA LYS A 30 22.843 12.826 -1.893 1.00 0.00 C ATOM 124 C LYS A 30 22.746 14.299 -2.317 1.00 0.00 C ATOM 125 O LYS A 30 21.873 14.641 -3.108 1.00 0.00 O ATOM 126 CB LYS A 30 24.039 12.071 -2.508 1.00 0.00 C ATOM 127 CG LYS A 30 24.033 12.027 -4.048 1.00 0.00 C ATOM 128 CD LYS A 30 25.242 11.278 -4.632 1.00 0.00 C ATOM 129 CE LYS A 30 26.578 11.986 -4.345 1.00 0.00 C ATOM 130 NZ LYS A 30 27.726 11.255 -4.951 1.00 0.00 N ATOM 0 H LYS A 30 21.510 11.812 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 30 23.023 12.832 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.963 12.542 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.045 11.050 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.116 11.547 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.022 13.046 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.274 10.270 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.114 11.176 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.544 13.002 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.724 12.066 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.610 11.760 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.772 10.294 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 27.598 11.201 -5.982 1.00 0.00 H new ATOM 144 N LEU A 31 23.643 15.163 -1.842 1.00 0.00 N ATOM 145 CA LEU A 31 23.577 16.639 -1.970 1.00 0.00 C ATOM 146 C LEU A 31 23.140 17.190 -3.355 1.00 0.00 C ATOM 147 O LEU A 31 22.139 17.907 -3.400 1.00 0.00 O ATOM 148 CB LEU A 31 24.923 17.257 -1.518 1.00 0.00 C ATOM 149 CG LEU A 31 25.130 17.483 -0.005 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.145 18.505 0.568 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.039 16.205 0.829 1.00 0.00 C ATOM 0 H LEU A 31 24.472 14.853 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 31 22.766 16.949 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.726 16.612 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.038 18.217 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 31 26.148 17.866 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.330 18.630 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.278 19.461 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.125 18.152 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.195 16.445 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.054 15.757 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.803 15.501 0.500 1.00 0.00 H new ATOM 163 N PRO A 32 23.790 16.852 -4.491 1.00 0.00 N ATOM 164 CA PRO A 32 23.396 17.363 -5.817 1.00 0.00 C ATOM 165 C PRO A 32 22.033 16.863 -6.307 1.00 0.00 C ATOM 166 O PRO A 32 21.412 17.511 -7.146 1.00 0.00 O ATOM 167 CB PRO A 32 24.523 16.931 -6.760 1.00 0.00 C ATOM 168 CG PRO A 32 25.110 15.692 -6.090 1.00 0.00 C ATOM 169 CD PRO A 32 25.002 16.049 -4.611 1.00 0.00 C ATOM 0 HA PRO A 32 23.267 18.445 -5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 32 24.145 16.704 -7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 32 25.271 17.716 -6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.547 14.791 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.142 15.515 -6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.941 15.152 -3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.877 16.607 -4.277 1.00 0.00 H new ATOM 177 N LEU A 33 21.541 15.744 -5.767 1.00 0.00 N ATOM 178 CA LEU A 33 20.213 15.194 -6.061 1.00 0.00 C ATOM 179 C LEU A 33 19.139 15.730 -5.089 1.00 0.00 C ATOM 180 O LEU A 33 18.018 16.017 -5.505 1.00 0.00 O ATOM 181 CB LEU A 33 20.313 13.657 -6.098 1.00 0.00 C ATOM 182 CG LEU A 33 21.392 13.077 -7.043 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.263 11.556 -7.095 1.00 0.00 C ATOM 184 CD2 LEU A 33 21.331 13.617 -8.474 1.00 0.00 C ATOM 0 H LEU A 33 22.067 15.182 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 33 19.878 15.530 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.511 13.300 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.344 13.255 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 33 22.349 13.389 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 33 22.024 11.149 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.399 11.145 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 33 20.274 11.287 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 33 22.121 13.159 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.362 13.378 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.467 14.698 -8.461 1.00 0.00 H new ATOM 196 N LEU A 34 19.500 15.990 -3.824 1.00 0.00 N ATOM 197 CA LEU A 34 18.677 16.701 -2.825 1.00 0.00 C ATOM 198 C LEU A 34 18.320 18.116 -3.312 1.00 0.00 C ATOM 199 O LEU A 34 17.193 18.570 -3.122 1.00 0.00 O ATOM 200 CB LEU A 34 19.463 16.710 -1.488 1.00 0.00 C ATOM 201 CG LEU A 34 18.682 17.140 -0.220 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.234 16.426 1.014 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.810 18.642 0.031 1.00 0.00 C ATOM 0 H LEU A 34 20.405 15.702 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 34 17.725 16.193 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.858 15.708 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.319 17.375 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 34 17.638 16.878 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.675 16.739 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.135 15.348 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.286 16.681 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.251 18.910 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.860 18.900 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.410 19.189 -0.823 1.00 0.00 H new ATOM 215 N LYS A 35 19.246 18.757 -4.038 1.00 0.00 N ATOM 216 CA LYS A 35 19.110 20.078 -4.680 1.00 0.00 C ATOM 217 C LYS A 35 17.895 20.168 -5.613 1.00 0.00 C ATOM 218 O LYS A 35 17.230 21.198 -5.690 1.00 0.00 O ATOM 219 CB LYS A 35 20.408 20.336 -5.478 1.00 0.00 C ATOM 220 CG LYS A 35 20.845 21.804 -5.535 1.00 0.00 C ATOM 221 CD LYS A 35 21.337 22.307 -4.168 1.00 0.00 C ATOM 222 CE LYS A 35 22.166 23.583 -4.359 1.00 0.00 C ATOM 223 NZ LYS A 35 22.629 24.145 -3.061 1.00 0.00 N ATOM 0 H LYS A 35 20.165 18.346 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 35 18.952 20.830 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.213 19.749 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.270 19.972 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.640 21.918 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.010 22.419 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.487 22.507 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.939 21.539 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.029 23.364 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.569 24.328 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.185 25.006 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.806 24.378 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.220 23.444 -2.570 1.00 0.00 H new ATOM 237 N ILE A 36 17.587 19.060 -6.288 1.00 0.00 N ATOM 238 CA ILE A 36 16.556 18.954 -7.331 1.00 0.00 C ATOM 239 C ILE A 36 15.169 18.977 -6.688 1.00 0.00 C ATOM 240 O ILE A 36 14.325 19.778 -7.076 1.00 0.00 O ATOM 241 CB ILE A 36 16.798 17.692 -8.197 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.261 17.675 -8.700 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.822 17.642 -9.386 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.679 16.399 -9.426 1.00 0.00 C ATOM 0 H ILE A 36 18.065 18.175 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 36 16.615 19.810 -8.003 1.00 0.00 H new ATOM 0 HB ILE A 36 16.620 16.810 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.409 18.522 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.924 17.824 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.014 16.746 -9.977 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.797 17.619 -9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.962 18.525 -10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.719 16.483 -9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.570 15.547 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 36 18.046 16.255 -10.302 1.00 0.00 H new ATOM 256 N LEU A 37 14.949 18.185 -5.632 1.00 0.00 N ATOM 257 CA LEU A 37 13.708 18.272 -4.854 1.00 0.00 C ATOM 258 C LEU A 37 13.625 19.569 -4.016 1.00 0.00 C ATOM 259 O LEU A 37 12.537 20.119 -3.858 1.00 0.00 O ATOM 260 CB LEU A 37 13.436 16.929 -4.128 1.00 0.00 C ATOM 261 CG LEU A 37 12.243 16.185 -4.762 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.553 15.684 -6.175 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.871 14.973 -3.921 1.00 0.00 C ATOM 0 H LEU A 37 15.609 17.482 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 37 12.853 18.392 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.326 16.301 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.232 17.117 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 37 11.424 16.903 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.682 15.167 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.800 16.531 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.398 14.997 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.028 14.457 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.723 14.295 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.596 15.297 -2.917 1.00 0.00 H new ATOM 275 N HIS A 38 14.750 20.133 -3.555 1.00 0.00 N ATOM 276 CA HIS A 38 14.799 21.477 -2.940 1.00 0.00 C ATOM 277 C HIS A 38 14.338 22.587 -3.898 1.00 0.00 C ATOM 278 O HIS A 38 13.637 23.500 -3.462 1.00 0.00 O ATOM 279 CB HIS A 38 16.220 21.784 -2.427 1.00 0.00 C ATOM 280 CG HIS A 38 16.436 21.568 -0.948 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.370 22.264 -0.173 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.735 20.720 -0.138 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.206 21.826 1.087 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.229 20.904 1.138 1.00 0.00 N ATOM 0 H HIS A 38 15.659 19.672 -3.596 1.00 0.00 H new ATOM 0 HA HIS A 38 14.101 21.462 -2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.928 21.162 -2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.457 22.821 -2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.950 20.041 -0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.778 22.166 1.938 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.907 20.422 1.977 1.00 0.00 H new ATOM 292 N ALA A 39 14.636 22.487 -5.200 1.00 0.00 N ATOM 293 CA ALA A 39 14.113 23.419 -6.208 1.00 0.00 C ATOM 294 C ALA A 39 12.569 23.408 -6.306 1.00 0.00 C ATOM 295 O ALA A 39 11.968 24.392 -6.742 1.00 0.00 O ATOM 296 CB ALA A 39 14.744 23.107 -7.571 1.00 0.00 C ATOM 0 H ALA A 39 15.243 21.762 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 39 14.388 24.425 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.356 23.799 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.827 23.215 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.499 22.085 -7.860 1.00 0.00 H new ATOM 302 N ALA A 40 11.929 22.318 -5.859 1.00 0.00 N ATOM 303 CA ALA A 40 10.480 22.164 -5.726 1.00 0.00 C ATOM 304 C ALA A 40 9.977 22.269 -4.267 1.00 0.00 C ATOM 305 O ALA A 40 8.895 21.770 -3.949 1.00 0.00 O ATOM 306 CB ALA A 40 10.075 20.857 -6.414 1.00 0.00 C ATOM 0 H ALA A 40 12.435 21.482 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 40 9.987 23.000 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.997 20.719 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.353 20.899 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.586 20.021 -5.937 1.00 0.00 H new ATOM 312 N GLY A 41 10.750 22.889 -3.365 1.00 0.00 N ATOM 313 CA GLY A 41 10.345 23.177 -1.980 1.00 0.00 C ATOM 314 C GLY A 41 10.271 21.962 -1.041 1.00 0.00 C ATOM 315 O GLY A 41 9.660 22.054 0.027 1.00 0.00 O ATOM 0 H GLY A 41 11.693 23.211 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.046 23.897 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.367 23.658 -1.999 1.00 0.00 H new ATOM 319 N ALA A 42 10.857 20.824 -1.431 1.00 0.00 N ATOM 320 CA ALA A 42 10.846 19.575 -0.671 1.00 0.00 C ATOM 321 C ALA A 42 11.989 19.516 0.384 1.00 0.00 C ATOM 322 O ALA A 42 12.569 20.538 0.756 1.00 0.00 O ATOM 323 CB ALA A 42 10.997 18.451 -1.699 1.00 0.00 C ATOM 0 H ALA A 42 11.367 20.748 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 42 9.919 19.485 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.996 17.488 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.167 18.489 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.936 18.574 -2.238 1.00 0.00 H new ATOM 329 N GLN A 43 12.371 18.300 0.807 1.00 0.00 N ATOM 330 CA GLN A 43 13.569 18.004 1.623 1.00 0.00 C ATOM 331 C GLN A 43 14.325 16.763 1.106 1.00 0.00 C ATOM 332 O GLN A 43 14.575 15.792 1.821 1.00 0.00 O ATOM 333 CB GLN A 43 13.222 17.977 3.121 1.00 0.00 C ATOM 334 CG GLN A 43 12.103 17.003 3.530 1.00 0.00 C ATOM 335 CD GLN A 43 11.880 17.009 5.043 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.364 16.156 5.777 1.00 0.00 O ATOM 337 NE2 GLN A 43 11.153 17.971 5.576 1.00 0.00 N ATOM 0 H GLN A 43 11.836 17.461 0.583 1.00 0.00 H new ATOM 0 HA GLN A 43 14.283 18.819 1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.123 17.721 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.933 18.983 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.177 17.277 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.359 15.995 3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.742 18.690 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.001 17.997 6.584 1.00 0.00 H new ATOM 346 N GLY A 44 14.666 16.802 -0.186 1.00 0.00 N ATOM 347 CA GLY A 44 15.190 15.659 -0.941 1.00 0.00 C ATOM 348 C GLY A 44 14.133 14.574 -1.154 1.00 0.00 C ATOM 349 O GLY A 44 12.975 14.769 -0.837 1.00 0.00 O ATOM 0 H GLY A 44 14.584 17.649 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.556 16.002 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.042 15.235 -0.410 1.00 0.00 H new ATOM 353 N GLU A 45 14.526 13.402 -1.652 1.00 0.00 N ATOM 354 CA GLU A 45 13.688 12.195 -1.796 1.00 0.00 C ATOM 355 C GLU A 45 13.505 11.405 -0.486 1.00 0.00 C ATOM 356 O GLU A 45 13.199 10.221 -0.517 1.00 0.00 O ATOM 357 CB GLU A 45 14.257 11.290 -2.909 1.00 0.00 C ATOM 358 CG GLU A 45 14.301 11.938 -4.295 1.00 0.00 C ATOM 359 CD GLU A 45 14.912 10.950 -5.307 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.159 10.917 -5.442 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.148 10.194 -5.952 1.00 0.00 O ATOM 0 H GLU A 45 15.479 13.253 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 45 12.691 12.538 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.266 10.986 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.655 10.383 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.296 12.220 -4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.893 12.853 -4.261 1.00 0.00 H new ATOM 368 N MET A 46 13.752 12.036 0.664 1.00 0.00 N ATOM 369 CA MET A 46 13.851 11.436 2.012 1.00 0.00 C ATOM 370 C MET A 46 12.502 11.015 2.642 1.00 0.00 C ATOM 371 O MET A 46 12.176 11.361 3.779 1.00 0.00 O ATOM 372 CB MET A 46 14.716 12.379 2.845 1.00 0.00 C ATOM 373 CG MET A 46 15.135 11.883 4.236 1.00 0.00 C ATOM 374 SD MET A 46 16.379 12.926 5.052 1.00 0.00 S ATOM 375 CE MET A 46 15.419 14.442 5.332 1.00 0.00 C ATOM 0 H MET A 46 13.899 13.045 0.689 1.00 0.00 H new ATOM 0 HA MET A 46 14.334 10.461 1.959 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.619 12.603 2.277 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.176 13.318 2.967 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.251 11.826 4.871 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.528 10.870 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.010 15.143 5.921 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.167 14.895 4.373 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.503 14.198 5.870 1.00 0.00 H new ATOM 385 N PHE A 47 11.694 10.294 1.865 1.00 0.00 N ATOM 386 CA PHE A 47 10.327 9.845 2.183 1.00 0.00 C ATOM 387 C PHE A 47 9.775 8.840 1.145 1.00 0.00 C ATOM 388 O PHE A 47 10.446 8.484 0.175 1.00 0.00 O ATOM 389 CB PHE A 47 9.411 11.072 2.367 1.00 0.00 C ATOM 390 CG PHE A 47 9.686 12.242 1.441 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.652 12.063 0.046 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.029 13.499 1.978 1.00 0.00 C ATOM 393 CE1 PHE A 47 9.942 13.137 -0.808 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.317 14.571 1.122 1.00 0.00 C ATOM 395 CZ PHE A 47 10.264 14.387 -0.264 1.00 0.00 C ATOM 0 H PHE A 47 11.989 9.986 0.938 1.00 0.00 H new ATOM 0 HA PHE A 47 10.355 9.293 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.378 10.756 2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.500 11.418 3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.402 11.097 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.070 13.636 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.917 13.001 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.579 15.536 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.474 15.218 -0.922 1.00 0.00 H new ATOM 405 N THR A 48 8.561 8.331 1.382 1.00 0.00 N ATOM 406 CA THR A 48 7.874 7.261 0.620 1.00 0.00 C ATOM 407 C THR A 48 7.558 7.643 -0.836 1.00 0.00 C ATOM 408 O THR A 48 7.529 8.819 -1.198 1.00 0.00 O ATOM 409 CB THR A 48 6.567 6.831 1.350 1.00 0.00 C ATOM 410 OG1 THR A 48 6.589 7.219 2.711 1.00 0.00 O ATOM 411 CG2 THR A 48 6.369 5.313 1.347 1.00 0.00 C ATOM 0 H THR A 48 7.990 8.670 2.156 1.00 0.00 H new ATOM 0 HA THR A 48 8.573 6.426 0.577 1.00 0.00 H new ATOM 0 HB THR A 48 5.761 7.322 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.756 6.938 3.145 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.444 5.066 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.313 4.955 0.319 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.209 4.836 1.852 1.00 0.00 H new ATOM 419 N VAL A 49 7.241 6.638 -1.668 1.00 0.00 N ATOM 420 CA VAL A 49 6.893 6.771 -3.106 1.00 0.00 C ATOM 421 C VAL A 49 5.855 7.875 -3.361 1.00 0.00 C ATOM 422 O VAL A 49 6.028 8.733 -4.230 1.00 0.00 O ATOM 423 CB VAL A 49 6.393 5.413 -3.659 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.945 5.509 -5.121 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.493 4.349 -3.534 1.00 0.00 C ATOM 0 H VAL A 49 7.217 5.669 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 49 7.800 7.065 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 49 5.528 5.128 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.604 4.532 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.130 6.228 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.782 5.836 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.128 3.400 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.369 4.663 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.764 4.228 -2.485 1.00 0.00 H new ATOM 435 N LYS A 50 4.806 7.899 -2.533 1.00 0.00 N ATOM 436 CA LYS A 50 3.692 8.853 -2.651 1.00 0.00 C ATOM 437 C LYS A 50 4.101 10.297 -2.369 1.00 0.00 C ATOM 438 O LYS A 50 3.547 11.224 -2.957 1.00 0.00 O ATOM 439 CB LYS A 50 2.559 8.441 -1.694 1.00 0.00 C ATOM 440 CG LYS A 50 1.968 7.049 -1.984 1.00 0.00 C ATOM 441 CD LYS A 50 1.065 6.556 -0.841 1.00 0.00 C ATOM 442 CE LYS A 50 1.871 6.182 0.418 1.00 0.00 C ATOM 443 NZ LYS A 50 0.978 5.709 1.513 1.00 0.00 N ATOM 0 H LYS A 50 4.703 7.251 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 50 3.355 8.818 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.937 8.458 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.762 9.182 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.394 7.085 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.778 6.336 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.343 7.333 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.497 5.689 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.592 5.403 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.440 7.047 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.550 5.465 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.306 6.462 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.454 4.869 1.195 1.00 0.00 H new ATOM 457 N GLU A 51 5.098 10.485 -1.507 1.00 0.00 N ATOM 458 CA GLU A 51 5.652 11.801 -1.208 1.00 0.00 C ATOM 459 C GLU A 51 6.622 12.235 -2.313 1.00 0.00 C ATOM 460 O GLU A 51 6.463 13.334 -2.836 1.00 0.00 O ATOM 461 CB GLU A 51 6.306 11.792 0.185 1.00 0.00 C ATOM 462 CG GLU A 51 5.349 11.428 1.330 1.00 0.00 C ATOM 463 CD GLU A 51 4.141 12.382 1.419 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.283 13.502 1.966 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.033 12.011 0.960 1.00 0.00 O ATOM 0 H GLU A 51 5.545 9.725 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 51 4.851 12.540 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.134 11.083 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.730 12.777 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.992 10.408 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.894 11.448 2.274 1.00 0.00 H new ATOM 472 N VAL A 52 7.548 11.380 -2.780 1.00 0.00 N ATOM 473 CA VAL A 52 8.446 11.772 -3.893 1.00 0.00 C ATOM 474 C VAL A 52 7.702 12.171 -5.154 1.00 0.00 C ATOM 475 O VAL A 52 8.020 13.185 -5.772 1.00 0.00 O ATOM 476 CB VAL A 52 9.495 10.727 -4.263 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.540 10.512 -3.168 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.003 9.343 -4.649 1.00 0.00 C ATOM 0 H VAL A 52 7.697 10.437 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 52 8.963 12.640 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 52 9.911 11.193 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.257 9.758 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.062 11.449 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.047 10.176 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.856 8.707 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.447 8.910 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.353 9.418 -5.521 1.00 0.00 H new ATOM 488 N MET A 53 6.683 11.399 -5.509 1.00 0.00 N ATOM 489 CA MET A 53 5.880 11.679 -6.708 1.00 0.00 C ATOM 490 C MET A 53 5.036 12.965 -6.579 1.00 0.00 C ATOM 491 O MET A 53 4.759 13.614 -7.585 1.00 0.00 O ATOM 492 CB MET A 53 5.057 10.455 -7.129 1.00 0.00 C ATOM 493 CG MET A 53 3.819 10.214 -6.262 1.00 0.00 C ATOM 494 SD MET A 53 2.894 8.712 -6.681 1.00 0.00 S ATOM 495 CE MET A 53 2.263 9.178 -8.318 1.00 0.00 C ATOM 0 H MET A 53 6.388 10.573 -4.989 1.00 0.00 H new ATOM 0 HA MET A 53 6.578 11.881 -7.520 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.744 10.578 -8.166 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.693 9.571 -7.091 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.127 10.157 -5.218 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.154 11.073 -6.352 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.515 8.453 -8.639 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.810 10.168 -8.265 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.085 9.193 -9.034 1.00 0.00 H new ATOM 505 N HIS A 54 4.694 13.382 -5.352 1.00 0.00 N ATOM 506 CA HIS A 54 4.048 14.668 -5.051 1.00 0.00 C ATOM 507 C HIS A 54 4.996 15.846 -5.359 1.00 0.00 C ATOM 508 O HIS A 54 4.709 16.654 -6.248 1.00 0.00 O ATOM 509 CB HIS A 54 3.542 14.643 -3.592 1.00 0.00 C ATOM 510 CG HIS A 54 3.497 15.993 -2.924 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.819 17.119 -3.397 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.249 16.345 -1.842 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.192 18.126 -2.589 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.038 17.689 -1.641 1.00 0.00 N ATOM 0 H HIS A 54 4.864 12.819 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 54 3.182 14.820 -5.695 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.542 14.209 -3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.185 13.984 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.885 15.696 -1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.857 19.148 -2.688 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.452 18.256 -0.901 1.00 0.00 H new ATOM 522 N TYR A 55 6.166 15.902 -4.709 1.00 0.00 N ATOM 523 CA TYR A 55 7.205 16.900 -4.996 1.00 0.00 C ATOM 524 C TYR A 55 7.692 16.877 -6.455 1.00 0.00 C ATOM 525 O TYR A 55 7.987 17.932 -7.011 1.00 0.00 O ATOM 526 CB TYR A 55 8.395 16.721 -4.049 1.00 0.00 C ATOM 527 CG TYR A 55 8.028 16.851 -2.587 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.759 18.113 -2.028 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.945 15.703 -1.788 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.375 18.231 -0.679 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.545 15.810 -0.441 1.00 0.00 C ATOM 532 CZ TYR A 55 7.260 17.073 0.120 1.00 0.00 C ATOM 533 OH TYR A 55 6.894 17.168 1.429 1.00 0.00 O ATOM 0 H TYR A 55 6.420 15.252 -3.965 1.00 0.00 H new ATOM 0 HA TYR A 55 6.741 17.873 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.839 15.740 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.157 17.462 -4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.848 18.999 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.188 14.736 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.169 19.204 -0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.456 14.921 0.165 1.00 0.00 H new ATOM 0 HH TYR A 55 6.864 16.273 1.826 1.00 0.00 H new ATOM 543 N LEU A 56 7.737 15.711 -7.108 1.00 0.00 N ATOM 544 CA LEU A 56 8.073 15.605 -8.531 1.00 0.00 C ATOM 545 C LEU A 56 6.973 16.192 -9.434 1.00 0.00 C ATOM 546 O LEU A 56 7.293 16.927 -10.366 1.00 0.00 O ATOM 547 CB LEU A 56 8.395 14.138 -8.858 1.00 0.00 C ATOM 548 CG LEU A 56 8.720 13.863 -10.337 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.863 14.718 -10.879 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.120 12.397 -10.501 1.00 0.00 C ATOM 0 H LEU A 56 7.541 14.814 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 56 8.957 16.208 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.242 13.822 -8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.546 13.520 -8.566 1.00 0.00 H new ATOM 0 HG LEU A 56 7.820 14.111 -10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.037 14.471 -11.926 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.601 15.773 -10.794 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.768 14.522 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.351 12.198 -11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.998 12.189 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.297 11.757 -10.183 1.00 0.00 H new ATOM 562 N GLY A 57 5.691 15.957 -9.138 1.00 0.00 N ATOM 563 CA GLY A 57 4.582 16.597 -9.855 1.00 0.00 C ATOM 564 C GLY A 57 4.672 18.128 -9.806 1.00 0.00 C ATOM 565 O GLY A 57 4.651 18.786 -10.849 1.00 0.00 O ATOM 0 H GLY A 57 5.393 15.321 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.584 16.267 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.636 16.276 -9.420 1.00 0.00 H new ATOM 569 N GLN A 58 4.910 18.705 -8.618 1.00 0.00 N ATOM 570 CA GLN A 58 5.089 20.159 -8.482 1.00 0.00 C ATOM 571 C GLN A 58 6.421 20.660 -9.078 1.00 0.00 C ATOM 572 O GLN A 58 6.445 21.755 -9.640 1.00 0.00 O ATOM 573 CB GLN A 58 4.762 20.648 -7.056 1.00 0.00 C ATOM 574 CG GLN A 58 5.881 20.513 -6.011 1.00 0.00 C ATOM 575 CD GLN A 58 5.403 20.683 -4.561 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.222 20.780 -4.253 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.302 20.708 -3.598 1.00 0.00 N ATOM 0 H GLN A 58 4.983 18.189 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 58 4.343 20.647 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.473 21.698 -7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.892 20.097 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.347 19.533 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.650 21.256 -6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.294 20.629 -3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.006 20.806 -2.627 1.00 0.00 H new ATOM 586 N TYR A 59 7.502 19.861 -9.057 1.00 0.00 N ATOM 587 CA TYR A 59 8.736 20.175 -9.797 1.00 0.00 C ATOM 588 C TYR A 59 8.428 20.352 -11.284 1.00 0.00 C ATOM 589 O TYR A 59 8.687 21.423 -11.822 1.00 0.00 O ATOM 590 CB TYR A 59 9.814 19.086 -9.614 1.00 0.00 C ATOM 591 CG TYR A 59 11.144 19.385 -10.298 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.316 19.139 -11.678 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.227 19.888 -9.551 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.556 19.388 -12.303 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.463 20.141 -10.173 1.00 0.00 C ATOM 596 CZ TYR A 59 13.639 19.876 -11.543 1.00 0.00 C ATOM 597 OH TYR A 59 14.856 20.100 -12.106 1.00 0.00 O ATOM 0 H TYR A 59 7.545 18.988 -8.532 1.00 0.00 H new ATOM 0 HA TYR A 59 9.131 21.106 -9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.993 18.946 -8.548 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.427 18.142 -9.999 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.491 18.757 -12.260 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.108 20.080 -8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.676 19.205 -13.361 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.282 20.541 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 59 14.849 19.789 -13.035 1.00 0.00 H new ATOM 607 N ILE A 60 7.792 19.369 -11.934 1.00 0.00 N ATOM 608 CA ILE A 60 7.450 19.440 -13.367 1.00 0.00 C ATOM 609 C ILE A 60 6.533 20.642 -13.632 1.00 0.00 C ATOM 610 O ILE A 60 6.722 21.354 -14.615 1.00 0.00 O ATOM 611 CB ILE A 60 6.783 18.129 -13.841 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.672 16.882 -13.627 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.417 18.210 -15.336 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.811 15.625 -13.461 1.00 0.00 C ATOM 0 H ILE A 60 7.499 18.501 -11.485 1.00 0.00 H new ATOM 0 HA ILE A 60 8.371 19.571 -13.935 1.00 0.00 H new ATOM 0 HB ILE A 60 5.887 18.019 -13.230 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.345 16.759 -14.476 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.296 17.021 -12.744 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.949 17.276 -15.647 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.723 19.035 -15.496 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.320 18.376 -15.923 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.456 14.759 -13.312 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.157 15.743 -12.597 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.207 15.477 -14.356 1.00 0.00 H new ATOM 626 N MET A 61 5.587 20.917 -12.730 1.00 0.00 N ATOM 627 CA MET A 61 4.664 22.048 -12.846 1.00 0.00 C ATOM 628 C MET A 61 5.363 23.424 -12.758 1.00 0.00 C ATOM 629 O MET A 61 4.972 24.344 -13.475 1.00 0.00 O ATOM 630 CB MET A 61 3.572 21.882 -11.777 1.00 0.00 C ATOM 631 CG MET A 61 2.313 22.712 -12.046 1.00 0.00 C ATOM 632 SD MET A 61 1.363 22.195 -13.506 1.00 0.00 S ATOM 633 CE MET A 61 1.691 23.581 -14.627 1.00 0.00 C ATOM 0 H MET A 61 5.439 20.355 -11.891 1.00 0.00 H new ATOM 0 HA MET A 61 4.219 22.036 -13.841 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.295 20.830 -11.714 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.981 22.163 -10.806 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.666 22.660 -11.171 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.601 23.756 -12.168 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.175 23.414 -15.573 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.332 24.506 -14.176 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.763 23.657 -14.807 1.00 0.00 H new ATOM 643 N VAL A 62 6.415 23.581 -11.935 1.00 0.00 N ATOM 644 CA VAL A 62 7.223 24.819 -11.863 1.00 0.00 C ATOM 645 C VAL A 62 8.210 24.904 -13.031 1.00 0.00 C ATOM 646 O VAL A 62 8.246 25.903 -13.755 1.00 0.00 O ATOM 647 CB VAL A 62 7.925 24.930 -10.499 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.931 26.087 -10.424 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.906 25.138 -9.371 1.00 0.00 C ATOM 0 H VAL A 62 6.733 22.851 -11.297 1.00 0.00 H new ATOM 0 HA VAL A 62 6.553 25.674 -11.954 1.00 0.00 H new ATOM 0 HB VAL A 62 8.461 23.988 -10.381 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.389 26.107 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.704 25.946 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.415 27.030 -10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.429 25.213 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.346 26.056 -9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.218 24.293 -9.342 1.00 0.00 H new ATOM 659 N LYS A 63 8.977 23.827 -13.250 1.00 0.00 N ATOM 660 CA LYS A 63 9.994 23.700 -14.308 1.00 0.00 C ATOM 661 C LYS A 63 9.395 23.671 -15.722 1.00 0.00 C ATOM 662 O LYS A 63 10.122 23.883 -16.690 1.00 0.00 O ATOM 663 CB LYS A 63 10.858 22.446 -14.034 1.00 0.00 C ATOM 664 CG LYS A 63 12.362 22.739 -14.081 1.00 0.00 C ATOM 665 CD LYS A 63 12.794 23.422 -12.772 1.00 0.00 C ATOM 666 CE LYS A 63 14.246 23.929 -12.819 1.00 0.00 C ATOM 667 NZ LYS A 63 15.248 22.838 -12.987 1.00 0.00 N ATOM 0 H LYS A 63 8.905 22.988 -12.675 1.00 0.00 H new ATOM 0 HA LYS A 63 10.620 24.592 -14.278 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.602 22.041 -13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.619 21.678 -14.769 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.919 21.813 -14.221 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.592 23.381 -14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.127 24.260 -12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.686 22.718 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.349 24.637 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.463 24.473 -11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.164 23.145 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.925 21.989 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.355 22.618 -13.998 1.00 0.00 H new ATOM 681 N GLN A 64 8.081 23.435 -15.822 1.00 0.00 N ATOM 682 CA GLN A 64 7.234 23.447 -17.025 1.00 0.00 C ATOM 683 C GLN A 64 7.833 22.676 -18.212 1.00 0.00 C ATOM 684 O GLN A 64 7.796 23.106 -19.367 1.00 0.00 O ATOM 685 CB GLN A 64 6.678 24.855 -17.299 1.00 0.00 C ATOM 686 CG GLN A 64 7.724 25.935 -17.609 1.00 0.00 C ATOM 687 CD GLN A 64 7.197 27.328 -17.275 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.755 28.086 -18.131 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.213 27.710 -16.011 1.00 0.00 N ATOM 0 H GLN A 64 7.534 23.211 -14.991 1.00 0.00 H new ATOM 0 HA GLN A 64 6.344 22.849 -16.829 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.985 24.795 -18.138 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.101 25.173 -16.431 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.632 25.740 -17.038 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.996 25.890 -18.664 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.579 27.084 -15.294 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.859 28.631 -15.752 1.00 0.00 H new ATOM 698 N LEU A 65 8.407 21.510 -17.892 1.00 0.00 N ATOM 699 CA LEU A 65 9.145 20.638 -18.807 1.00 0.00 C ATOM 700 C LEU A 65 8.188 19.728 -19.601 1.00 0.00 C ATOM 701 O LEU A 65 8.306 18.511 -19.553 1.00 0.00 O ATOM 702 CB LEU A 65 10.190 19.827 -18.000 1.00 0.00 C ATOM 703 CG LEU A 65 11.383 20.626 -17.453 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.184 19.743 -16.495 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.323 21.137 -18.546 1.00 0.00 C ATOM 0 H LEU A 65 8.366 21.134 -16.945 1.00 0.00 H new ATOM 0 HA LEU A 65 9.672 21.244 -19.544 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.682 19.350 -17.162 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.573 19.030 -18.637 1.00 0.00 H new ATOM 0 HG LEU A 65 10.970 21.498 -16.946 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.032 20.306 -16.104 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.545 19.429 -15.669 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.547 18.864 -17.028 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.143 21.692 -18.090 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.724 20.292 -19.105 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.773 21.792 -19.222 1.00 0.00 H new ATOM 717 N TYR A 66 7.195 20.290 -20.285 1.00 0.00 N ATOM 718 CA TYR A 66 6.147 19.560 -21.008 1.00 0.00 C ATOM 719 C TYR A 66 5.802 20.195 -22.366 1.00 0.00 C ATOM 720 O TYR A 66 6.199 21.327 -22.659 1.00 0.00 O ATOM 721 CB TYR A 66 4.908 19.416 -20.106 1.00 0.00 C ATOM 722 CG TYR A 66 4.406 20.690 -19.437 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.925 21.771 -20.205 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.419 20.789 -18.031 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.501 22.958 -19.576 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.968 21.963 -17.397 1.00 0.00 C ATOM 727 CZ TYR A 66 3.520 23.056 -18.168 1.00 0.00 C ATOM 728 OH TYR A 66 3.113 24.200 -17.551 1.00 0.00 O ATOM 0 H TYR A 66 7.091 21.302 -20.356 1.00 0.00 H new ATOM 0 HA TYR A 66 6.530 18.568 -21.246 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.096 19.001 -20.704 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.135 18.688 -19.327 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.882 21.688 -21.281 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.776 19.961 -17.437 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.161 23.793 -20.171 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.965 22.027 -16.319 1.00 0.00 H new ATOM 0 HH TYR A 66 2.431 24.642 -18.099 1.00 0.00 H new ATOM 738 N ASP A 67 5.051 19.475 -23.205 1.00 0.00 N ATOM 739 CA ASP A 67 4.546 20.003 -24.481 1.00 0.00 C ATOM 740 C ASP A 67 3.354 20.953 -24.278 1.00 0.00 C ATOM 741 O ASP A 67 2.485 20.699 -23.441 1.00 0.00 O ATOM 742 CB ASP A 67 4.129 18.863 -25.430 1.00 0.00 C ATOM 743 CG ASP A 67 4.654 19.063 -26.863 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.684 20.220 -27.349 1.00 0.00 O ATOM 745 OD2 ASP A 67 5.029 18.061 -27.518 1.00 0.00 O ATOM 0 H ASP A 67 4.775 18.510 -23.021 1.00 0.00 H new ATOM 0 HA ASP A 67 5.366 20.565 -24.929 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.501 17.916 -25.040 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.041 18.793 -25.452 1.00 0.00 H new ATOM 750 N GLN A 68 3.245 22.011 -25.088 1.00 0.00 N ATOM 751 CA GLN A 68 2.142 22.950 -25.059 1.00 0.00 C ATOM 752 C GLN A 68 0.770 22.284 -25.239 1.00 0.00 C ATOM 753 O GLN A 68 -0.158 22.598 -24.492 1.00 0.00 O ATOM 754 CB GLN A 68 2.439 23.974 -26.166 1.00 0.00 C ATOM 755 CG GLN A 68 1.834 25.338 -25.869 1.00 0.00 C ATOM 756 CD GLN A 68 0.455 25.576 -26.498 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.285 26.416 -27.372 1.00 0.00 O ATOM 758 NE2 GLN A 68 -0.583 24.864 -26.103 1.00 0.00 N ATOM 0 H GLN A 68 3.944 22.235 -25.796 1.00 0.00 H new ATOM 0 HA GLN A 68 2.072 23.424 -24.080 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.518 24.076 -26.284 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.048 23.604 -27.114 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.751 25.457 -24.789 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.518 26.109 -26.223 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.470 24.157 -25.376 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.499 25.020 -26.524 1.00 0.00 H new ATOM 767 N GLN A 69 0.624 21.377 -26.211 1.00 0.00 N ATOM 768 CA GLN A 69 -0.649 20.705 -26.512 1.00 0.00 C ATOM 769 C GLN A 69 -0.945 19.527 -25.564 1.00 0.00 C ATOM 770 O GLN A 69 -2.045 18.971 -25.593 1.00 0.00 O ATOM 771 CB GLN A 69 -0.677 20.249 -27.985 1.00 0.00 C ATOM 772 CG GLN A 69 -0.728 21.406 -29.005 1.00 0.00 C ATOM 773 CD GLN A 69 0.607 22.105 -29.279 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.689 21.623 -28.969 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.587 23.273 -29.887 1.00 0.00 N ATOM 0 H GLN A 69 1.391 21.085 -26.817 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.442 21.435 -26.348 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.208 19.644 -28.183 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.544 19.606 -28.138 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.115 21.019 -29.948 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.441 22.150 -28.649 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.303 23.694 -30.155 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.461 23.757 -30.090 1.00 0.00 H new ATOM 784 N GLU A 70 0.023 19.137 -24.729 1.00 0.00 N ATOM 785 CA GLU A 70 -0.087 17.976 -23.834 1.00 0.00 C ATOM 786 C GLU A 70 0.870 18.064 -22.634 1.00 0.00 C ATOM 787 O GLU A 70 1.954 17.477 -22.607 1.00 0.00 O ATOM 788 CB GLU A 70 0.053 16.638 -24.595 1.00 0.00 C ATOM 789 CG GLU A 70 1.134 16.586 -25.688 1.00 0.00 C ATOM 790 CD GLU A 70 1.071 15.256 -26.467 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.140 15.075 -27.292 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.962 14.388 -26.294 1.00 0.00 O ATOM 0 H GLU A 70 0.917 19.623 -24.653 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.096 18.000 -23.423 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.262 15.852 -23.869 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.908 16.402 -25.053 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.001 17.421 -26.376 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.119 16.700 -25.236 1.00 0.00 H new ATOM 799 N GLN A 71 0.391 18.733 -21.580 1.00 0.00 N ATOM 800 CA GLN A 71 1.021 18.788 -20.255 1.00 0.00 C ATOM 801 C GLN A 71 1.260 17.385 -19.659 1.00 0.00 C ATOM 802 O GLN A 71 2.115 17.217 -18.789 1.00 0.00 O ATOM 803 CB GLN A 71 0.139 19.613 -19.298 1.00 0.00 C ATOM 804 CG GLN A 71 0.123 21.126 -19.590 1.00 0.00 C ATOM 805 CD GLN A 71 -0.530 21.522 -20.919 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.471 20.903 -21.404 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.049 22.556 -21.574 1.00 0.00 N ATOM 0 H GLN A 71 -0.475 19.270 -21.627 1.00 0.00 H new ATOM 0 HA GLN A 71 1.995 19.261 -20.376 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.882 19.235 -19.348 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.487 19.456 -18.277 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.402 21.632 -18.780 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.149 21.493 -19.583 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.733 23.085 -21.189 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.458 22.829 -22.467 1.00 0.00 H new ATOM 816 N HIS A 72 0.534 16.370 -20.152 1.00 0.00 N ATOM 817 CA HIS A 72 0.682 14.965 -19.767 1.00 0.00 C ATOM 818 C HIS A 72 2.049 14.370 -20.167 1.00 0.00 C ATOM 819 O HIS A 72 2.507 13.423 -19.519 1.00 0.00 O ATOM 820 CB HIS A 72 -0.513 14.151 -20.324 1.00 0.00 C ATOM 821 CG HIS A 72 -0.148 13.080 -21.329 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.256 13.319 -22.644 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.075 11.738 -21.083 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.583 12.121 -23.155 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.386 11.153 -22.243 1.00 0.00 N ATOM 0 H HIS A 72 -0.194 16.513 -20.852 1.00 0.00 H new ATOM 0 HA HIS A 72 0.666 14.905 -18.679 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.033 13.682 -19.489 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.216 14.841 -20.791 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.328 11.235 -20.162 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.952 11.958 -24.157 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.550 10.156 -22.385 1.00 0.00 H new ATOM 833 N MET A 73 2.699 14.921 -21.202 1.00 0.00 N ATOM 834 CA MET A 73 3.968 14.443 -21.757 1.00 0.00 C ATOM 835 C MET A 73 5.126 15.358 -21.336 1.00 0.00 C ATOM 836 O MET A 73 5.075 16.571 -21.549 1.00 0.00 O ATOM 837 CB MET A 73 3.862 14.348 -23.287 1.00 0.00 C ATOM 838 CG MET A 73 5.134 13.773 -23.919 1.00 0.00 C ATOM 839 SD MET A 73 5.542 12.090 -23.383 1.00 0.00 S ATOM 840 CE MET A 73 7.196 11.935 -24.097 1.00 0.00 C ATOM 0 H MET A 73 2.340 15.741 -21.691 1.00 0.00 H new ATOM 0 HA MET A 73 4.177 13.449 -21.361 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.011 13.721 -23.553 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.669 15.339 -23.699 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.021 13.779 -25.003 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.971 14.430 -23.683 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.699 11.070 -23.665 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.116 11.806 -25.176 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.772 12.835 -23.881 1.00 0.00 H new ATOM 850 N VAL A 74 6.180 14.775 -20.763 1.00 0.00 N ATOM 851 CA VAL A 74 7.294 15.479 -20.111 1.00 0.00 C ATOM 852 C VAL A 74 8.579 15.337 -20.942 1.00 0.00 C ATOM 853 O VAL A 74 8.929 14.243 -21.389 1.00 0.00 O ATOM 854 CB VAL A 74 7.495 14.963 -18.664 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.455 15.847 -17.861 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.178 14.909 -17.870 1.00 0.00 C ATOM 0 H VAL A 74 6.289 13.761 -20.737 1.00 0.00 H new ATOM 0 HA VAL A 74 7.050 16.540 -20.052 1.00 0.00 H new ATOM 0 HB VAL A 74 7.906 13.961 -18.786 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.564 15.445 -16.854 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.428 15.866 -18.351 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.057 16.860 -17.806 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.375 14.541 -16.863 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.746 15.908 -17.813 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.478 14.240 -18.371 1.00 0.00 H new ATOM 866 N TYR A 75 9.287 16.452 -21.124 1.00 0.00 N ATOM 867 CA TYR A 75 10.514 16.626 -21.903 1.00 0.00 C ATOM 868 C TYR A 75 11.555 17.411 -21.090 1.00 0.00 C ATOM 869 O TYR A 75 11.498 18.634 -20.961 1.00 0.00 O ATOM 870 CB TYR A 75 10.183 17.355 -23.213 1.00 0.00 C ATOM 871 CG TYR A 75 9.483 16.465 -24.212 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.181 15.359 -24.728 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.154 16.713 -24.607 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.554 14.488 -25.629 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.531 15.856 -25.535 1.00 0.00 C ATOM 876 CZ TYR A 75 8.229 14.742 -26.053 1.00 0.00 C ATOM 877 OH TYR A 75 7.622 13.926 -26.960 1.00 0.00 O ATOM 0 H TYR A 75 8.993 17.329 -20.695 1.00 0.00 H new ATOM 0 HA TYR A 75 10.938 15.650 -22.137 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.552 18.217 -22.995 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.103 17.737 -23.655 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.203 15.180 -24.429 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.615 17.556 -24.200 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.083 13.622 -26.000 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.517 16.051 -25.852 1.00 0.00 H new ATOM 0 HH TYR A 75 6.714 14.250 -27.135 1.00 0.00 H new ATOM 887 N CYS A 76 12.527 16.680 -20.553 1.00 0.00 N ATOM 888 CA CYS A 76 13.528 17.109 -19.575 1.00 0.00 C ATOM 889 C CYS A 76 14.882 17.489 -20.199 1.00 0.00 C ATOM 890 O CYS A 76 15.925 17.289 -19.572 1.00 0.00 O ATOM 891 CB CYS A 76 13.686 15.967 -18.566 1.00 0.00 C ATOM 892 SG CYS A 76 12.159 15.722 -17.621 1.00 0.00 S ATOM 0 H CYS A 76 12.647 15.699 -20.807 1.00 0.00 H new ATOM 0 HA CYS A 76 13.182 18.024 -19.095 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.946 15.047 -19.090 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.508 16.189 -17.885 1.00 0.00 H new ATOM 0 HG CYS A 76 12.323 14.747 -16.777 1.00 0.00 H new ATOM 898 N GLY A 77 14.894 17.965 -21.447 1.00 0.00 N ATOM 899 CA GLY A 77 16.125 18.157 -22.215 1.00 0.00 C ATOM 900 C GLY A 77 17.124 19.094 -21.522 1.00 0.00 C ATOM 901 O GLY A 77 16.847 20.280 -21.326 1.00 0.00 O ATOM 0 H GLY A 77 14.049 18.228 -21.953 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.598 17.189 -22.381 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.875 18.562 -23.196 1.00 0.00 H new ATOM 905 N GLY A 78 18.281 18.548 -21.138 1.00 0.00 N ATOM 906 CA GLY A 78 19.348 19.246 -20.416 1.00 0.00 C ATOM 907 C GLY A 78 19.062 19.570 -18.939 1.00 0.00 C ATOM 908 O GLY A 78 19.823 20.341 -18.349 1.00 0.00 O ATOM 0 H GLY A 78 18.509 17.572 -21.328 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.251 18.638 -20.466 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.562 20.179 -20.937 1.00 0.00 H new ATOM 912 N ASP A 79 17.999 19.032 -18.323 1.00 0.00 N ATOM 913 CA ASP A 79 17.622 19.336 -16.941 1.00 0.00 C ATOM 914 C ASP A 79 18.178 18.304 -15.940 1.00 0.00 C ATOM 915 O ASP A 79 18.350 17.110 -16.232 1.00 0.00 O ATOM 916 CB ASP A 79 16.096 19.508 -16.838 1.00 0.00 C ATOM 917 CG ASP A 79 15.688 20.135 -15.498 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.730 21.379 -15.351 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.366 19.372 -14.564 1.00 0.00 O ATOM 0 H ASP A 79 17.373 18.367 -18.778 1.00 0.00 H new ATOM 0 HA ASP A 79 18.084 20.282 -16.660 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.744 20.136 -17.656 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.611 18.538 -16.949 1.00 0.00 H new ATOM 924 N LEU A 80 18.405 18.771 -14.710 1.00 0.00 N ATOM 925 CA LEU A 80 18.834 17.938 -13.588 1.00 0.00 C ATOM 926 C LEU A 80 17.846 16.786 -13.319 1.00 0.00 C ATOM 927 O LEU A 80 18.266 15.725 -12.870 1.00 0.00 O ATOM 928 CB LEU A 80 19.067 18.812 -12.344 1.00 0.00 C ATOM 929 CG LEU A 80 20.439 19.515 -12.298 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.613 20.599 -13.365 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.625 20.175 -10.930 1.00 0.00 C ATOM 0 H LEU A 80 18.294 19.754 -14.463 1.00 0.00 H new ATOM 0 HA LEU A 80 19.781 17.466 -13.849 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.284 19.569 -12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.963 18.190 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 80 21.181 18.740 -12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.602 21.048 -13.270 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.510 20.155 -14.355 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.851 21.367 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.594 20.673 -10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.835 20.908 -10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.579 19.415 -10.150 1.00 0.00 H new ATOM 943 N LEU A 81 16.558 16.942 -13.642 1.00 0.00 N ATOM 944 CA LEU A 81 15.567 15.861 -13.584 1.00 0.00 C ATOM 945 C LEU A 81 15.835 14.754 -14.620 1.00 0.00 C ATOM 946 O LEU A 81 15.715 13.572 -14.300 1.00 0.00 O ATOM 947 CB LEU A 81 14.161 16.466 -13.756 1.00 0.00 C ATOM 948 CG LEU A 81 13.016 15.434 -13.736 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.957 14.672 -12.413 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.668 16.122 -13.945 1.00 0.00 C ATOM 0 H LEU A 81 16.169 17.832 -13.955 1.00 0.00 H new ATOM 0 HA LEU A 81 15.642 15.376 -12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.992 17.193 -12.962 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.126 17.011 -14.699 1.00 0.00 H new ATOM 0 HG LEU A 81 13.217 14.732 -14.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.136 13.955 -12.442 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.896 14.142 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.796 15.375 -11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.873 15.377 -13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.503 16.848 -13.149 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.666 16.633 -14.908 1.00 0.00 H new ATOM 962 N GLY A 82 16.238 15.118 -15.842 1.00 0.00 N ATOM 963 CA GLY A 82 16.675 14.155 -16.860 1.00 0.00 C ATOM 964 C GLY A 82 17.954 13.431 -16.437 1.00 0.00 C ATOM 965 O GLY A 82 18.054 12.213 -16.586 1.00 0.00 O ATOM 0 H GLY A 82 16.271 16.089 -16.154 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.884 13.426 -17.035 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.845 14.674 -17.803 1.00 0.00 H new ATOM 969 N GLU A 83 18.893 14.145 -15.808 1.00 0.00 N ATOM 970 CA GLU A 83 20.090 13.557 -15.218 1.00 0.00 C ATOM 971 C GLU A 83 19.765 12.624 -14.027 1.00 0.00 C ATOM 972 O GLU A 83 20.376 11.561 -13.895 1.00 0.00 O ATOM 973 CB GLU A 83 20.973 14.749 -14.844 1.00 0.00 C ATOM 974 CG GLU A 83 22.123 14.456 -13.894 1.00 0.00 C ATOM 975 CD GLU A 83 23.164 13.448 -14.430 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.372 13.354 -15.665 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.816 12.759 -13.607 1.00 0.00 O ATOM 0 H GLU A 83 18.839 15.157 -15.695 1.00 0.00 H new ATOM 0 HA GLU A 83 20.607 12.896 -15.913 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.384 15.173 -15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.342 15.515 -14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.631 15.392 -13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.715 14.073 -12.959 1.00 0.00 H new ATOM 984 N LEU A 84 18.773 12.975 -13.197 1.00 0.00 N ATOM 985 CA LEU A 84 18.316 12.187 -12.045 1.00 0.00 C ATOM 986 C LEU A 84 17.663 10.859 -12.468 1.00 0.00 C ATOM 987 O LEU A 84 17.966 9.811 -11.894 1.00 0.00 O ATOM 988 CB LEU A 84 17.345 13.052 -11.212 1.00 0.00 C ATOM 989 CG LEU A 84 16.705 12.363 -9.990 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.732 11.995 -8.922 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.677 13.298 -9.349 1.00 0.00 C ATOM 0 H LEU A 84 18.250 13.843 -13.313 1.00 0.00 H new ATOM 0 HA LEU A 84 19.180 11.915 -11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.882 13.935 -10.866 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.547 13.400 -11.867 1.00 0.00 H new ATOM 0 HG LEU A 84 16.239 11.448 -10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.229 11.513 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.468 11.311 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.234 12.898 -8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.227 12.807 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.170 14.216 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.901 13.538 -10.075 1.00 0.00 H new ATOM 1003 N LEU A 85 16.780 10.896 -13.474 1.00 0.00 N ATOM 1004 CA LEU A 85 16.070 9.713 -13.986 1.00 0.00 C ATOM 1005 C LEU A 85 16.901 8.894 -14.992 1.00 0.00 C ATOM 1006 O LEU A 85 16.622 7.708 -15.182 1.00 0.00 O ATOM 1007 CB LEU A 85 14.715 10.152 -14.585 1.00 0.00 C ATOM 1008 CG LEU A 85 13.541 10.126 -13.586 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.769 10.998 -12.354 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.268 10.608 -14.282 1.00 0.00 C ATOM 0 H LEU A 85 16.534 11.757 -13.962 1.00 0.00 H new ATOM 0 HA LEU A 85 15.895 9.039 -13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.817 11.162 -14.982 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.475 9.502 -15.426 1.00 0.00 H new ATOM 0 HG LEU A 85 13.452 9.094 -13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.903 10.931 -11.696 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.656 10.653 -11.823 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.911 12.034 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.438 10.590 -13.576 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.414 11.626 -14.644 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.043 9.953 -15.123 1.00 0.00 H new ATOM 1022 N GLY A 86 17.894 9.504 -15.649 1.00 0.00 N ATOM 1023 CA GLY A 86 18.723 8.877 -16.691 1.00 0.00 C ATOM 1024 C GLY A 86 18.096 8.890 -18.095 1.00 0.00 C ATOM 1025 O GLY A 86 18.626 8.257 -19.012 1.00 0.00 O ATOM 0 H GLY A 86 18.152 10.474 -15.467 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.684 9.390 -16.731 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.924 7.844 -16.406 1.00 0.00 H new ATOM 1029 N ARG A 87 16.961 9.588 -18.264 1.00 0.00 N ATOM 1030 CA ARG A 87 16.231 9.781 -19.532 1.00 0.00 C ATOM 1031 C ARG A 87 15.565 11.147 -19.570 1.00 0.00 C ATOM 1032 O ARG A 87 15.114 11.652 -18.545 1.00 0.00 O ATOM 1033 CB ARG A 87 15.196 8.662 -19.826 1.00 0.00 C ATOM 1034 CG ARG A 87 14.216 8.311 -18.688 1.00 0.00 C ATOM 1035 CD ARG A 87 14.808 7.358 -17.638 1.00 0.00 C ATOM 1036 NE ARG A 87 14.525 5.935 -17.898 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.849 4.945 -17.083 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.488 5.125 -15.965 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.539 3.713 -17.347 1.00 0.00 N ATOM 0 H ARG A 87 16.503 10.057 -17.482 1.00 0.00 H new ATOM 0 HA ARG A 87 16.979 9.723 -20.323 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.613 8.958 -20.698 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.740 7.758 -20.098 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.901 9.231 -18.195 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.323 7.856 -19.116 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.888 7.502 -17.598 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.414 7.624 -16.657 1.00 0.00 H new ATOM 0 HE ARG A 87 14.046 5.697 -18.767 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.764 6.065 -15.681 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.714 4.326 -15.372 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.032 3.487 -18.203 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.803 2.971 -16.699 1.00 0.00 H new ATOM 1053 N GLN A 88 15.478 11.724 -20.766 1.00 0.00 N ATOM 1054 CA GLN A 88 14.971 13.085 -20.975 1.00 0.00 C ATOM 1055 C GLN A 88 13.495 13.130 -21.384 1.00 0.00 C ATOM 1056 O GLN A 88 12.990 14.199 -21.719 1.00 0.00 O ATOM 1057 CB GLN A 88 15.903 13.867 -21.915 1.00 0.00 C ATOM 1058 CG GLN A 88 17.269 14.040 -21.236 1.00 0.00 C ATOM 1059 CD GLN A 88 18.316 14.676 -22.149 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.700 15.826 -21.991 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.826 13.965 -23.133 1.00 0.00 N ATOM 0 H GLN A 88 15.759 11.258 -21.629 1.00 0.00 H new ATOM 0 HA GLN A 88 14.986 13.595 -20.012 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.017 13.335 -22.860 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.472 14.841 -22.147 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.150 14.657 -20.345 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.629 13.066 -20.904 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.518 13.004 -23.281 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.529 14.375 -23.748 1.00 0.00 H new ATOM 1070 N SER A 89 12.779 12.005 -21.317 1.00 0.00 N ATOM 1071 CA SER A 89 11.312 12.009 -21.479 1.00 0.00 C ATOM 1072 C SER A 89 10.571 10.873 -20.763 1.00 0.00 C ATOM 1073 O SER A 89 11.092 9.766 -20.594 1.00 0.00 O ATOM 1074 CB SER A 89 10.918 12.057 -22.962 1.00 0.00 C ATOM 1075 OG SER A 89 11.394 10.917 -23.667 1.00 0.00 O ATOM 0 H SER A 89 13.182 11.083 -21.153 1.00 0.00 H new ATOM 0 HA SER A 89 10.986 12.922 -20.980 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.833 12.113 -23.049 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.321 12.962 -23.417 1.00 0.00 H new ATOM 0 HG SER A 89 11.125 10.978 -24.607 1.00 0.00 H new ATOM 1081 N PHE A 90 9.342 11.178 -20.332 1.00 0.00 N ATOM 1082 CA PHE A 90 8.347 10.269 -19.739 1.00 0.00 C ATOM 1083 C PHE A 90 6.948 10.919 -19.794 1.00 0.00 C ATOM 1084 O PHE A 90 6.819 12.071 -20.209 1.00 0.00 O ATOM 1085 CB PHE A 90 8.743 9.912 -18.292 1.00 0.00 C ATOM 1086 CG PHE A 90 8.799 11.056 -17.296 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.995 11.781 -17.126 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.682 11.354 -16.490 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.076 12.792 -16.152 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.764 12.367 -15.519 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.964 13.078 -15.343 1.00 0.00 C ATOM 0 H PHE A 90 8.989 12.133 -20.391 1.00 0.00 H new ATOM 0 HA PHE A 90 8.317 9.343 -20.313 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.036 9.171 -17.919 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.722 9.434 -18.316 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.852 11.560 -17.745 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.762 10.803 -16.619 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.993 13.348 -16.026 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.905 12.599 -14.908 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.031 13.845 -14.585 1.00 0.00 H new ATOM 1101 N SER A 91 5.890 10.221 -19.372 1.00 0.00 N ATOM 1102 CA SER A 91 4.537 10.793 -19.276 1.00 0.00 C ATOM 1103 C SER A 91 3.791 10.327 -18.024 1.00 0.00 C ATOM 1104 O SER A 91 4.198 9.370 -17.362 1.00 0.00 O ATOM 1105 CB SER A 91 3.738 10.461 -20.541 1.00 0.00 C ATOM 1106 OG SER A 91 3.169 9.165 -20.462 1.00 0.00 O ATOM 0 H SER A 91 5.944 9.243 -19.086 1.00 0.00 H new ATOM 0 HA SER A 91 4.644 11.874 -19.190 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.949 11.200 -20.680 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.390 10.523 -21.413 1.00 0.00 H new ATOM 0 HG SER A 91 2.664 8.979 -21.281 1.00 0.00 H new ATOM 1112 N VAL A 92 2.654 10.961 -17.720 1.00 0.00 N ATOM 1113 CA VAL A 92 1.742 10.494 -16.653 1.00 0.00 C ATOM 1114 C VAL A 92 0.977 9.206 -17.020 1.00 0.00 C ATOM 1115 O VAL A 92 0.341 8.603 -16.154 1.00 0.00 O ATOM 1116 CB VAL A 92 0.781 11.604 -16.179 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.556 12.827 -15.674 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.185 12.054 -17.277 1.00 0.00 C ATOM 0 H VAL A 92 2.336 11.805 -18.197 1.00 0.00 H new ATOM 0 HA VAL A 92 2.388 10.237 -15.814 1.00 0.00 H new ATOM 0 HB VAL A 92 0.200 11.169 -15.366 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.853 13.593 -15.346 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.191 12.535 -14.837 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.175 13.223 -16.479 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.838 12.836 -16.889 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.382 12.441 -18.124 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.788 11.206 -17.601 1.00 0.00 H new ATOM 1128 N LYS A 93 1.056 8.757 -18.286 1.00 0.00 N ATOM 1129 CA LYS A 93 0.531 7.463 -18.768 1.00 0.00 C ATOM 1130 C LYS A 93 1.605 6.360 -18.779 1.00 0.00 C ATOM 1131 O LYS A 93 1.279 5.183 -18.618 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.121 7.687 -20.146 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.880 6.448 -20.654 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.646 6.693 -21.964 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.843 7.638 -21.775 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.638 7.774 -23.027 1.00 0.00 N ATOM 0 H LYS A 93 1.500 9.300 -19.026 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.227 7.096 -18.076 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.810 8.530 -20.085 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.650 7.957 -20.868 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.171 5.634 -20.804 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.583 6.122 -19.887 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.967 7.115 -22.705 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.998 5.740 -22.360 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.482 7.261 -20.977 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.487 8.619 -21.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.437 8.419 -22.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.034 8.157 -23.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.999 6.841 -23.312 1.00 0.00 H new ATOM 1150 N ASP A 94 2.879 6.738 -18.898 1.00 0.00 N ATOM 1151 CA ASP A 94 4.056 5.860 -18.866 1.00 0.00 C ATOM 1152 C ASP A 94 5.074 6.287 -17.773 1.00 0.00 C ATOM 1153 O ASP A 94 6.178 6.744 -18.094 1.00 0.00 O ATOM 1154 CB ASP A 94 4.658 5.816 -20.282 1.00 0.00 C ATOM 1155 CG ASP A 94 5.832 4.827 -20.409 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.777 3.731 -19.800 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.792 5.117 -21.165 1.00 0.00 O ATOM 0 H ASP A 94 3.134 7.717 -19.026 1.00 0.00 H new ATOM 0 HA ASP A 94 3.763 4.850 -18.581 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.879 5.540 -20.993 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.000 6.814 -20.556 1.00 0.00 H new ATOM 1162 N PRO A 95 4.723 6.166 -16.472 1.00 0.00 N ATOM 1163 CA PRO A 95 5.556 6.607 -15.346 1.00 0.00 C ATOM 1164 C PRO A 95 6.673 5.622 -14.946 1.00 0.00 C ATOM 1165 O PRO A 95 7.355 5.851 -13.949 1.00 0.00 O ATOM 1166 CB PRO A 95 4.565 6.849 -14.201 1.00 0.00 C ATOM 1167 CG PRO A 95 3.514 5.770 -14.449 1.00 0.00 C ATOM 1168 CD PRO A 95 3.418 5.749 -15.972 1.00 0.00 C ATOM 0 HA PRO A 95 6.116 7.501 -15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.037 6.740 -13.225 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.137 7.851 -14.238 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.821 4.804 -14.048 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.559 6.019 -13.985 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.165 4.752 -16.332 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.635 6.422 -16.321 1.00 0.00 H new ATOM 1176 N SER A 96 6.899 4.535 -15.694 1.00 0.00 N ATOM 1177 CA SER A 96 7.932 3.515 -15.416 1.00 0.00 C ATOM 1178 C SER A 96 9.339 4.062 -15.088 1.00 0.00 C ATOM 1179 O SER A 96 9.985 3.486 -14.211 1.00 0.00 O ATOM 1180 CB SER A 96 8.018 2.520 -16.580 1.00 0.00 C ATOM 1181 OG SER A 96 6.756 1.903 -16.780 1.00 0.00 O ATOM 0 H SER A 96 6.357 4.330 -16.533 1.00 0.00 H new ATOM 0 HA SER A 96 7.599 3.023 -14.502 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.329 3.035 -17.489 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.773 1.763 -16.368 1.00 0.00 H new ATOM 0 HG SER A 96 6.816 1.270 -17.526 1.00 0.00 H new ATOM 1187 N PRO A 97 9.818 5.186 -15.669 1.00 0.00 N ATOM 1188 CA PRO A 97 11.080 5.822 -15.269 1.00 0.00 C ATOM 1189 C PRO A 97 11.183 6.240 -13.791 1.00 0.00 C ATOM 1190 O PRO A 97 12.292 6.262 -13.258 1.00 0.00 O ATOM 1191 CB PRO A 97 11.226 7.027 -16.204 1.00 0.00 C ATOM 1192 CG PRO A 97 10.571 6.513 -17.482 1.00 0.00 C ATOM 1193 CD PRO A 97 9.352 5.802 -16.908 1.00 0.00 C ATOM 0 HA PRO A 97 11.889 5.097 -15.359 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.722 7.911 -15.813 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.270 7.299 -16.361 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.297 7.321 -18.161 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.221 5.837 -18.037 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.540 6.504 -16.718 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.970 5.053 -17.601 1.00 0.00 H new ATOM 1201 N LEU A 98 10.064 6.516 -13.102 1.00 0.00 N ATOM 1202 CA LEU A 98 10.045 6.714 -11.643 1.00 0.00 C ATOM 1203 C LEU A 98 10.295 5.382 -10.928 1.00 0.00 C ATOM 1204 O LEU A 98 11.164 5.270 -10.066 1.00 0.00 O ATOM 1205 CB LEU A 98 8.686 7.271 -11.166 1.00 0.00 C ATOM 1206 CG LEU A 98 8.409 8.766 -11.398 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.310 9.165 -12.871 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.076 9.092 -10.719 1.00 0.00 C ATOM 0 H LEU A 98 9.147 6.608 -13.540 1.00 0.00 H new ATOM 0 HA LEU A 98 10.830 7.431 -11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.898 6.703 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.599 7.075 -10.097 1.00 0.00 H new ATOM 0 HG LEU A 98 9.252 9.322 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.113 10.235 -12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.248 8.932 -13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.498 8.613 -13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.844 10.147 -10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.285 8.484 -11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.149 8.877 -9.653 1.00 0.00 H new ATOM 1220 N TYR A 99 9.550 4.343 -11.299 1.00 0.00 N ATOM 1221 CA TYR A 99 9.632 3.051 -10.622 1.00 0.00 C ATOM 1222 C TYR A 99 10.983 2.359 -10.837 1.00 0.00 C ATOM 1223 O TYR A 99 11.478 1.697 -9.932 1.00 0.00 O ATOM 1224 CB TYR A 99 8.425 2.188 -11.008 1.00 0.00 C ATOM 1225 CG TYR A 99 7.099 2.814 -10.604 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.729 2.846 -9.244 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.252 3.394 -11.570 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.515 3.440 -8.847 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.039 3.992 -11.177 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.665 4.016 -9.816 1.00 0.00 C ATOM 1231 OH TYR A 99 3.485 4.592 -9.452 1.00 0.00 O ATOM 0 H TYR A 99 8.880 4.371 -12.068 1.00 0.00 H new ATOM 0 HA TYR A 99 9.584 3.214 -9.545 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.431 2.025 -12.086 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.518 1.210 -10.537 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.381 2.412 -8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.534 3.380 -12.613 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.235 3.455 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.392 4.434 -11.920 1.00 0.00 H new ATOM 0 HH TYR A 99 3.030 4.938 -10.248 1.00 0.00 H new ATOM 1241 N ASP A 100 11.650 2.603 -11.966 1.00 0.00 N ATOM 1242 CA ASP A 100 13.041 2.195 -12.207 1.00 0.00 C ATOM 1243 C ASP A 100 14.044 2.916 -11.279 1.00 0.00 C ATOM 1244 O ASP A 100 15.074 2.364 -10.892 1.00 0.00 O ATOM 1245 CB ASP A 100 13.375 2.495 -13.670 1.00 0.00 C ATOM 1246 CG ASP A 100 14.705 1.875 -14.128 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.039 0.742 -13.704 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.405 2.521 -14.944 1.00 0.00 O ATOM 0 H ASP A 100 11.234 3.098 -12.755 1.00 0.00 H new ATOM 0 HA ASP A 100 13.131 1.131 -11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.570 2.121 -14.303 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.417 3.575 -13.812 1.00 0.00 H new ATOM 1253 N MET A 101 13.727 4.156 -10.899 1.00 0.00 N ATOM 1254 CA MET A 101 14.445 4.937 -9.880 1.00 0.00 C ATOM 1255 C MET A 101 14.201 4.387 -8.457 1.00 0.00 C ATOM 1256 O MET A 101 15.113 4.380 -7.630 1.00 0.00 O ATOM 1257 CB MET A 101 14.072 6.431 -10.064 1.00 0.00 C ATOM 1258 CG MET A 101 13.465 7.163 -8.858 1.00 0.00 C ATOM 1259 SD MET A 101 12.652 8.729 -9.293 1.00 0.00 S ATOM 1260 CE MET A 101 11.188 8.608 -8.224 1.00 0.00 C ATOM 0 H MET A 101 12.939 4.663 -11.303 1.00 0.00 H new ATOM 0 HA MET A 101 15.523 4.844 -10.013 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.971 6.968 -10.366 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.366 6.502 -10.891 1.00 0.00 H new ATOM 0 HG2 MET A 101 12.740 6.509 -8.374 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.252 7.361 -8.130 1.00 0.00 H new ATOM 0 HE1 MET A 101 10.565 9.492 -8.359 1.00 0.00 H new ATOM 0 HE2 MET A 101 10.617 7.718 -8.489 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.503 8.541 -7.183 1.00 0.00 H new ATOM 1270 N LEU A 102 12.987 3.891 -8.175 1.00 0.00 N ATOM 1271 CA LEU A 102 12.558 3.403 -6.854 1.00 0.00 C ATOM 1272 C LEU A 102 12.968 1.952 -6.574 1.00 0.00 C ATOM 1273 O LEU A 102 13.412 1.670 -5.464 1.00 0.00 O ATOM 1274 CB LEU A 102 11.032 3.558 -6.709 1.00 0.00 C ATOM 1275 CG LEU A 102 10.516 5.002 -6.807 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.004 5.020 -6.992 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.903 5.802 -5.571 1.00 0.00 C ATOM 0 H LEU A 102 12.254 3.816 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 102 13.073 4.016 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.546 2.961 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.729 3.144 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 102 10.980 5.466 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.658 6.051 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.743 4.489 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.528 4.532 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.526 6.821 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.471 5.335 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.989 5.824 -5.477 1.00 0.00 H new ATOM 1289 N ARG A 103 12.888 1.052 -7.568 1.00 0.00 N ATOM 1290 CA ARG A 103 13.215 -0.392 -7.455 1.00 0.00 C ATOM 1291 C ARG A 103 14.636 -0.663 -6.959 1.00 0.00 C ATOM 1292 O ARG A 103 14.900 -1.666 -6.296 1.00 0.00 O ATOM 1293 CB ARG A 103 12.924 -1.101 -8.797 1.00 0.00 C ATOM 1294 CG ARG A 103 13.757 -0.692 -10.024 1.00 0.00 C ATOM 1295 CD ARG A 103 15.124 -1.370 -10.201 1.00 0.00 C ATOM 1296 NE ARG A 103 15.746 -0.941 -11.467 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.911 -1.303 -11.964 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.714 -2.137 -11.364 1.00 0.00 N ATOM 1299 NH2 ARG A 103 17.271 -0.802 -13.106 1.00 0.00 N ATOM 0 H ARG A 103 12.584 1.311 -8.507 1.00 0.00 H new ATOM 0 HA ARG A 103 12.568 -0.810 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.057 -2.172 -8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.873 -0.941 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.164 -0.890 -10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.917 0.385 -9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.775 -1.117 -9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.004 -2.453 -10.195 1.00 0.00 H new ATOM 0 HE ARG A 103 15.207 -0.282 -12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.450 -2.542 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.606 -2.384 -11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.658 -0.148 -13.592 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.167 -1.062 -13.517 1.00 0.00 H new ATOM 1313 N LYS A 104 15.538 0.271 -7.274 1.00 0.00 N ATOM 1314 CA LYS A 104 16.942 0.309 -6.838 1.00 0.00 C ATOM 1315 C LYS A 104 17.085 0.605 -5.336 1.00 0.00 C ATOM 1316 O LYS A 104 18.043 0.140 -4.717 1.00 0.00 O ATOM 1317 CB LYS A 104 17.658 1.338 -7.730 1.00 0.00 C ATOM 1318 CG LYS A 104 19.168 1.447 -7.462 1.00 0.00 C ATOM 1319 CD LYS A 104 19.905 2.242 -8.552 1.00 0.00 C ATOM 1320 CE LYS A 104 19.304 3.639 -8.778 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.121 4.436 -9.735 1.00 0.00 N ATOM 0 H LYS A 104 15.299 1.063 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 104 17.406 -0.670 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.502 1.070 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.200 2.316 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.328 1.927 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.595 0.446 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.954 2.343 -8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.875 1.683 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.287 3.542 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.239 4.167 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.688 5.373 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.084 4.549 -9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.162 3.944 -10.650 1.00 0.00 H new ATOM 1335 N ASN A 105 16.128 1.330 -4.742 1.00 0.00 N ATOM 1336 CA ASN A 105 16.089 1.606 -3.299 1.00 0.00 C ATOM 1337 C ASN A 105 15.242 0.583 -2.509 1.00 0.00 C ATOM 1338 O ASN A 105 15.785 -0.118 -1.653 1.00 0.00 O ATOM 1339 CB ASN A 105 15.646 3.061 -3.076 1.00 0.00 C ATOM 1340 CG ASN A 105 15.843 3.495 -1.631 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.820 4.136 -1.278 1.00 0.00 O ATOM 1342 ND2 ASN A 105 14.928 3.166 -0.747 1.00 0.00 N ATOM 0 H ASN A 105 15.351 1.746 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 105 17.094 1.486 -2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.214 3.719 -3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.596 3.167 -3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.037 3.446 0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.109 2.630 -1.036 1.00 0.00 H new