USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 804 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 60 SER OG : rot 80:sc= 0.739 USER MOD Set 1.2: B 62 SER OG : rot 180:sc= 0.638 USER MOD Set 2.1: A 107 HIS :FLIP no HE2:sc= -1.73 F(o=-5.5,f=-3.2) USER MOD Set 2.2: A 111 ASN : amide:sc= -0.487 K(o=-3.2,f=-5.5) USER MOD Set 2.3: B 34 MET CE :methyl 136:sc= -0.967 (180deg=-0.0184) USER MOD Set 3.1: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 135 GLN : amide:sc= -4.16! C(o=-4.2!,f=-7.8!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -17:sc= 0.0994! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -0.0209 (180deg=-0.292) USER MOD Single : A 97 ASN :FLIP amide:sc= -3.43! C(o=-10!,f=-3.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 172:sc= -2.21! (180deg=-2.39!) USER MOD Single : A 110 THR OG1 : rot -76:sc= 0.852 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 109:sc= -1.9! USER MOD Single : A 124 MET CE :methyl -103:sc= -0.0415 (180deg=-0.225) USER MOD Single : A 137 ASN :FLIP amide:sc= -2.92 F(o=-3.8!,f=-2.9) USER MOD Single : A 138 TYR OH : rot 150:sc= 0 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.252 F(o=-0.77,f=-0.25) USER MOD Single : A 144 MET CE :methyl 166:sc= -0.351 (180deg=-0.84) USER MOD Single : A 145 MET CE :methyl 159:sc=-0.00232 (180deg=-0.0335) USER MOD Single : A 146 THR OG1 : rot -94:sc= 0.492 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 162:sc= 0.449 USER MOD Single : B 47 GLN :FLIP amide:sc= -7.11! C(o=-11!,f=-7.1!) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.4) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 GLN :FLIP amide:sc= -0.195 F(o=-1.1,f=-0.19) USER MOD Single : B 55 LYS NZ :NH3+ 163:sc= -1.2 (180deg=-1.48) USER MOD Single : B 56 LYS NZ :NH3+ 159:sc= 0.682 (180deg=0.119) USER MOD Single : B 57 LYS NZ :NH3+ -164:sc= -0.0453 (180deg=-0.418) USER MOD Single : B 61 GLN : amide:sc= -0.0474 K(o=-0.047,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 6.401 -18.927 -15.851 1.00 0.00 N ATOM 2 CA MET A 76 7.809 -18.819 -16.324 1.00 0.00 C ATOM 3 C MET A 76 8.009 -17.476 -17.020 1.00 0.00 C ATOM 4 O MET A 76 8.901 -16.707 -16.662 1.00 0.00 O ATOM 5 CB MET A 76 8.106 -19.961 -17.298 1.00 0.00 C ATOM 6 CG MET A 76 9.605 -20.003 -17.598 1.00 0.00 C ATOM 7 SD MET A 76 9.967 -21.406 -18.683 1.00 0.00 S ATOM 8 CE MET A 76 11.752 -21.144 -18.808 1.00 0.00 C ATOM 0 HA MET A 76 8.489 -18.886 -15.475 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.784 -20.910 -16.870 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.544 -19.820 -18.221 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.917 -19.073 -18.073 1.00 0.00 H new ATOM 0 HG3 MET A 76 10.170 -20.093 -16.670 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.189 -21.913 -19.445 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.946 -20.162 -19.239 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.198 -21.199 -17.815 1.00 0.00 H new ATOM 20 N LYS A 77 7.172 -17.201 -18.016 1.00 0.00 N ATOM 21 CA LYS A 77 7.266 -15.948 -18.754 1.00 0.00 C ATOM 22 C LYS A 77 6.412 -14.870 -18.094 1.00 0.00 C ATOM 23 O LYS A 77 6.418 -13.714 -18.516 1.00 0.00 O ATOM 24 CB LYS A 77 6.800 -16.156 -20.197 1.00 0.00 C ATOM 25 CG LYS A 77 7.757 -17.119 -20.907 1.00 0.00 C ATOM 26 CD LYS A 77 7.191 -17.528 -22.275 1.00 0.00 C ATOM 27 CE LYS A 77 7.241 -16.346 -23.250 1.00 0.00 C ATOM 28 NZ LYS A 77 6.877 -16.818 -24.615 1.00 0.00 N ATOM 0 H LYS A 77 6.427 -17.824 -18.328 1.00 0.00 H new ATOM 0 HA LYS A 77 8.307 -15.624 -18.750 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.787 -16.558 -20.209 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.771 -15.202 -20.723 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.730 -16.645 -21.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.914 -18.005 -20.292 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.764 -18.364 -22.677 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.163 -17.871 -22.162 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.553 -15.564 -22.928 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.239 -15.908 -23.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.910 -16.018 -25.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.550 -17.550 -24.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.916 -17.216 -24.600 1.00 0.00 H new ATOM 42 N ASP A 78 5.681 -15.257 -17.053 1.00 0.00 N ATOM 43 CA ASP A 78 4.833 -14.303 -16.347 1.00 0.00 C ATOM 44 C ASP A 78 5.687 -13.182 -15.766 1.00 0.00 C ATOM 45 O ASP A 78 5.531 -12.016 -16.128 1.00 0.00 O ATOM 46 CB ASP A 78 4.074 -15.008 -15.221 1.00 0.00 C ATOM 47 CG ASP A 78 2.967 -15.883 -15.801 1.00 0.00 C ATOM 48 OD1 ASP A 78 2.680 -15.739 -16.978 1.00 0.00 O ATOM 49 OD2 ASP A 78 2.423 -16.684 -15.059 1.00 0.00 O ATOM 0 H ASP A 78 5.658 -16.208 -16.684 1.00 0.00 H new ATOM 0 HA ASP A 78 4.115 -13.881 -17.051 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.761 -15.619 -14.636 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.647 -14.270 -14.543 1.00 0.00 H new ATOM 54 N THR A 79 6.590 -13.546 -14.862 1.00 0.00 N ATOM 55 CA THR A 79 7.465 -12.563 -14.234 1.00 0.00 C ATOM 56 C THR A 79 6.668 -11.329 -13.822 1.00 0.00 C ATOM 57 O THR A 79 5.490 -11.427 -13.480 1.00 0.00 O ATOM 58 CB THR A 79 8.574 -12.154 -15.205 1.00 0.00 C ATOM 59 OG1 THR A 79 8.023 -11.358 -16.245 1.00 0.00 O ATOM 60 CG2 THR A 79 9.217 -13.406 -15.804 1.00 0.00 C ATOM 0 H THR A 79 6.735 -14.506 -14.550 1.00 0.00 H new ATOM 0 HA THR A 79 7.909 -13.012 -13.346 1.00 0.00 H new ATOM 0 HB THR A 79 9.331 -11.580 -14.671 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.050 -11.472 -16.264 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.007 -13.114 -16.496 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.641 -14.015 -15.005 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.462 -13.983 -16.338 1.00 0.00 H new ATOM 68 N ASP A 80 7.322 -10.172 -13.855 1.00 0.00 N ATOM 69 CA ASP A 80 6.671 -8.920 -13.484 1.00 0.00 C ATOM 70 C ASP A 80 6.558 -8.807 -11.966 1.00 0.00 C ATOM 71 O ASP A 80 6.049 -9.707 -11.302 1.00 0.00 O ATOM 72 CB ASP A 80 5.276 -8.840 -14.112 1.00 0.00 C ATOM 73 CG ASP A 80 4.889 -7.385 -14.372 1.00 0.00 C ATOM 74 OD1 ASP A 80 5.745 -6.625 -14.795 1.00 0.00 O ATOM 75 OD2 ASP A 80 3.736 -7.053 -14.153 1.00 0.00 O ATOM 0 H ASP A 80 8.298 -10.075 -14.134 1.00 0.00 H new ATOM 0 HA ASP A 80 7.278 -8.095 -13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.259 -9.400 -15.047 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.545 -9.304 -13.450 1.00 0.00 H new ATOM 80 N SER A 81 7.044 -7.693 -11.431 1.00 0.00 N ATOM 81 CA SER A 81 7.007 -7.453 -9.991 1.00 0.00 C ATOM 82 C SER A 81 5.636 -6.949 -9.558 1.00 0.00 C ATOM 83 O SER A 81 5.376 -6.785 -8.369 1.00 0.00 O ATOM 84 CB SER A 81 8.075 -6.437 -9.591 1.00 0.00 C ATOM 85 OG SER A 81 9.360 -6.967 -9.887 1.00 0.00 O ATOM 0 H SER A 81 7.469 -6.940 -11.972 1.00 0.00 H new ATOM 0 HA SER A 81 7.207 -8.400 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.922 -5.501 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.998 -6.211 -8.528 1.00 0.00 H new ATOM 0 HG SER A 81 10.048 -6.317 -9.633 1.00 0.00 H new ATOM 91 N GLU A 82 4.760 -6.704 -10.521 1.00 0.00 N ATOM 92 CA GLU A 82 3.426 -6.220 -10.197 1.00 0.00 C ATOM 93 C GLU A 82 2.735 -7.236 -9.303 1.00 0.00 C ATOM 94 O GLU A 82 2.016 -6.882 -8.369 1.00 0.00 O ATOM 95 CB GLU A 82 2.608 -6.021 -11.476 1.00 0.00 C ATOM 96 CG GLU A 82 3.179 -4.846 -12.273 1.00 0.00 C ATOM 97 CD GLU A 82 2.443 -4.710 -13.602 1.00 0.00 C ATOM 98 OE1 GLU A 82 1.681 -5.605 -13.928 1.00 0.00 O ATOM 99 OE2 GLU A 82 2.653 -3.714 -14.274 1.00 0.00 O ATOM 0 H GLU A 82 4.943 -6.829 -11.517 1.00 0.00 H new ATOM 0 HA GLU A 82 3.506 -5.263 -9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.631 -6.928 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.564 -5.831 -11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.082 -3.925 -11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.243 -5.000 -12.451 1.00 0.00 H new ATOM 106 N GLU A 83 2.979 -8.503 -9.597 1.00 0.00 N ATOM 107 CA GLU A 83 2.400 -9.592 -8.823 1.00 0.00 C ATOM 108 C GLU A 83 2.900 -9.543 -7.380 1.00 0.00 C ATOM 109 O GLU A 83 2.205 -9.957 -6.453 1.00 0.00 O ATOM 110 CB GLU A 83 2.800 -10.929 -9.450 1.00 0.00 C ATOM 111 CG GLU A 83 4.313 -11.134 -9.290 1.00 0.00 C ATOM 112 CD GLU A 83 4.643 -11.751 -7.929 1.00 0.00 C ATOM 113 OE1 GLU A 83 3.724 -12.162 -7.239 1.00 0.00 O ATOM 114 OE2 GLU A 83 5.817 -11.806 -7.598 1.00 0.00 O ATOM 0 H GLU A 83 3.575 -8.804 -10.368 1.00 0.00 H new ATOM 0 HA GLU A 83 1.315 -9.489 -8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.259 -11.745 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.529 -10.944 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.682 -11.781 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.826 -10.178 -9.394 1.00 0.00 H new ATOM 121 N GLU A 84 4.119 -9.046 -7.197 1.00 0.00 N ATOM 122 CA GLU A 84 4.705 -8.954 -5.866 1.00 0.00 C ATOM 123 C GLU A 84 4.009 -7.874 -5.033 1.00 0.00 C ATOM 124 O GLU A 84 3.754 -8.064 -3.842 1.00 0.00 O ATOM 125 CB GLU A 84 6.206 -8.645 -5.981 1.00 0.00 C ATOM 126 CG GLU A 84 6.850 -8.622 -4.589 1.00 0.00 C ATOM 127 CD GLU A 84 6.759 -10.002 -3.946 1.00 0.00 C ATOM 128 OE1 GLU A 84 6.572 -10.962 -4.675 1.00 0.00 O ATOM 129 OE2 GLU A 84 6.877 -10.078 -2.735 1.00 0.00 O ATOM 0 H GLU A 84 4.717 -8.703 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 84 4.569 -9.911 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.693 -9.396 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.350 -7.683 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.894 -8.317 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.349 -7.886 -3.960 1.00 0.00 H new ATOM 136 N ILE A 85 3.717 -6.738 -5.662 1.00 0.00 N ATOM 137 CA ILE A 85 3.069 -5.633 -4.960 1.00 0.00 C ATOM 138 C ILE A 85 1.629 -5.957 -4.570 1.00 0.00 C ATOM 139 O ILE A 85 1.225 -5.707 -3.435 1.00 0.00 O ATOM 140 CB ILE A 85 3.085 -4.370 -5.830 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.534 -3.899 -6.051 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.274 -3.260 -5.155 1.00 0.00 C ATOM 143 CD1 ILE A 85 5.217 -3.551 -4.716 1.00 0.00 C ATOM 0 H ILE A 85 3.916 -6.559 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 85 3.635 -5.465 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 85 2.637 -4.602 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.099 -4.680 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.540 -3.026 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.290 -2.367 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.244 -3.591 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.710 -3.031 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.239 -3.222 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.664 -2.752 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.233 -4.432 -4.075 1.00 0.00 H new ATOM 155 N ARG A 86 0.851 -6.508 -5.501 1.00 0.00 N ATOM 156 CA ARG A 86 -0.543 -6.833 -5.205 1.00 0.00 C ATOM 157 C ARG A 86 -0.626 -7.881 -4.106 1.00 0.00 C ATOM 158 O ARG A 86 -1.602 -7.931 -3.358 1.00 0.00 O ATOM 159 CB ARG A 86 -1.258 -7.331 -6.465 1.00 0.00 C ATOM 160 CG ARG A 86 -0.707 -8.697 -6.864 1.00 0.00 C ATOM 161 CD ARG A 86 -1.251 -9.088 -8.238 1.00 0.00 C ATOM 162 NE ARG A 86 -0.710 -8.204 -9.264 1.00 0.00 N ATOM 163 CZ ARG A 86 -1.170 -8.236 -10.509 1.00 0.00 C ATOM 164 NH1 ARG A 86 -2.124 -9.068 -10.829 1.00 0.00 N ATOM 165 NH2 ARG A 86 -0.669 -7.438 -11.410 1.00 0.00 N ATOM 0 H ARG A 86 1.154 -6.735 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.038 -5.926 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.330 -7.400 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.118 -6.620 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.382 -8.668 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.990 -9.445 -6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.986 -10.121 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.340 -9.031 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 86 0.034 -7.550 -9.021 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.515 -9.692 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.479 -9.094 -11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.077 -6.789 -11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.023 -7.463 -12.366 1.00 0.00 H new ATOM 179 N GLU A 87 0.409 -8.706 -4.002 1.00 0.00 N ATOM 180 CA GLU A 87 0.440 -9.741 -2.978 1.00 0.00 C ATOM 181 C GLU A 87 0.345 -9.094 -1.602 1.00 0.00 C ATOM 182 O GLU A 87 -0.352 -9.585 -0.715 1.00 0.00 O ATOM 183 CB GLU A 87 1.736 -10.549 -3.085 1.00 0.00 C ATOM 184 CG GLU A 87 1.728 -11.674 -2.046 1.00 0.00 C ATOM 185 CD GLU A 87 2.984 -12.528 -2.191 1.00 0.00 C ATOM 186 OE1 GLU A 87 3.786 -12.225 -3.059 1.00 0.00 O ATOM 187 OE2 GLU A 87 3.124 -13.473 -1.432 1.00 0.00 O ATOM 0 H GLU A 87 1.229 -8.679 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.405 -10.414 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.834 -10.967 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.596 -9.899 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.679 -11.252 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.840 -12.293 -2.175 1.00 0.00 H new ATOM 194 N ALA A 88 1.048 -7.980 -1.445 1.00 0.00 N ATOM 195 CA ALA A 88 1.048 -7.244 -0.188 1.00 0.00 C ATOM 196 C ALA A 88 -0.358 -6.760 0.161 1.00 0.00 C ATOM 197 O ALA A 88 -0.720 -6.694 1.335 1.00 0.00 O ATOM 198 CB ALA A 88 1.993 -6.046 -0.284 1.00 0.00 C ATOM 0 H ALA A 88 1.627 -7.565 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 88 1.389 -7.916 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.987 -5.501 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.004 -6.396 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.663 -5.386 -1.086 1.00 0.00 H new ATOM 204 N PHE A 89 -1.155 -6.443 -0.858 1.00 0.00 N ATOM 205 CA PHE A 89 -2.523 -5.993 -0.616 1.00 0.00 C ATOM 206 C PHE A 89 -3.446 -7.191 -0.379 1.00 0.00 C ATOM 207 O PHE A 89 -4.308 -7.153 0.498 1.00 0.00 O ATOM 208 CB PHE A 89 -3.019 -5.154 -1.798 1.00 0.00 C ATOM 209 CG PHE A 89 -2.291 -3.830 -1.796 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.804 -2.746 -1.075 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.095 -3.692 -2.507 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.121 -1.523 -1.070 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.408 -2.472 -2.502 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.922 -1.386 -1.784 1.00 0.00 C ATOM 0 H PHE A 89 -0.884 -6.488 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.535 -5.371 0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.841 -5.681 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.094 -4.993 -1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.726 -2.852 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.700 -4.530 -3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.518 -0.685 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.516 -2.369 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.395 -0.443 -1.780 1.00 0.00 H new ATOM 224 N ARG A 90 -3.264 -8.249 -1.169 1.00 0.00 N ATOM 225 CA ARG A 90 -4.097 -9.446 -1.031 1.00 0.00 C ATOM 226 C ARG A 90 -4.220 -9.842 0.437 1.00 0.00 C ATOM 227 O ARG A 90 -5.220 -10.429 0.851 1.00 0.00 O ATOM 228 CB ARG A 90 -3.497 -10.618 -1.820 1.00 0.00 C ATOM 229 CG ARG A 90 -4.273 -10.844 -3.127 1.00 0.00 C ATOM 230 CD ARG A 90 -4.004 -9.693 -4.094 1.00 0.00 C ATOM 231 NE ARG A 90 -4.650 -9.946 -5.378 1.00 0.00 N ATOM 232 CZ ARG A 90 -4.056 -10.682 -6.313 1.00 0.00 C ATOM 233 NH1 ARG A 90 -2.876 -11.192 -6.091 1.00 0.00 N ATOM 234 NH2 ARG A 90 -4.653 -10.893 -7.454 1.00 0.00 N ATOM 0 H ARG A 90 -2.557 -8.304 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.085 -9.214 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.450 -10.415 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.524 -11.523 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.973 -11.789 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.341 -10.915 -2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.375 -8.760 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.930 -9.573 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.573 -9.552 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.408 -11.026 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.421 -11.756 -6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.575 -10.493 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.198 -11.457 -8.171 1.00 0.00 H new ATOM 248 N VAL A 91 -3.202 -9.508 1.216 1.00 0.00 N ATOM 249 CA VAL A 91 -3.195 -9.819 2.640 1.00 0.00 C ATOM 250 C VAL A 91 -4.353 -9.133 3.353 1.00 0.00 C ATOM 251 O VAL A 91 -4.966 -9.704 4.254 1.00 0.00 O ATOM 252 CB VAL A 91 -1.874 -9.374 3.267 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.980 -9.471 4.791 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.748 -10.287 2.780 1.00 0.00 C ATOM 0 H VAL A 91 -2.368 -9.021 0.887 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.307 -10.897 2.751 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.661 -8.345 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.040 -9.154 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.786 -8.826 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.190 -10.502 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.195 -9.971 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.961 -11.315 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.674 -10.226 1.694 1.00 0.00 H new ATOM 264 N PHE A 92 -4.639 -7.900 2.954 1.00 0.00 N ATOM 265 CA PHE A 92 -5.716 -7.144 3.578 1.00 0.00 C ATOM 266 C PHE A 92 -7.043 -7.384 2.857 1.00 0.00 C ATOM 267 O PHE A 92 -8.112 -7.249 3.453 1.00 0.00 O ATOM 268 CB PHE A 92 -5.370 -5.654 3.562 1.00 0.00 C ATOM 269 CG PHE A 92 -3.911 -5.474 3.934 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.407 -6.025 5.123 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.056 -4.765 3.082 1.00 0.00 C ATOM 272 CE1 PHE A 92 -2.057 -5.863 5.455 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.707 -4.604 3.416 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.207 -5.153 4.602 1.00 0.00 C ATOM 0 H PHE A 92 -4.146 -7.407 2.209 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.827 -7.481 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.559 -5.236 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.005 -5.114 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.062 -6.575 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.438 -4.341 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.672 -6.287 6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.050 -4.055 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.165 -5.028 4.858 1.00 0.00 H new ATOM 284 N ASP A 93 -6.972 -7.760 1.582 1.00 0.00 N ATOM 285 CA ASP A 93 -8.185 -8.036 0.813 1.00 0.00 C ATOM 286 C ASP A 93 -8.591 -9.496 0.980 1.00 0.00 C ATOM 287 O ASP A 93 -8.537 -10.281 0.033 1.00 0.00 O ATOM 288 CB ASP A 93 -7.949 -7.730 -0.668 1.00 0.00 C ATOM 289 CG ASP A 93 -9.240 -7.919 -1.456 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.207 -7.247 -1.144 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.243 -8.738 -2.358 1.00 0.00 O ATOM 0 H ASP A 93 -6.101 -7.880 1.065 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.988 -7.399 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.590 -6.707 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.173 -8.386 -1.063 1.00 0.00 H new ATOM 296 N LYS A 94 -9.001 -9.852 2.195 1.00 0.00 N ATOM 297 CA LYS A 94 -9.422 -11.217 2.491 1.00 0.00 C ATOM 298 C LYS A 94 -10.784 -11.523 1.887 1.00 0.00 C ATOM 299 O LYS A 94 -11.135 -12.684 1.673 1.00 0.00 O ATOM 300 CB LYS A 94 -9.479 -11.418 4.005 1.00 0.00 C ATOM 301 CG LYS A 94 -10.559 -10.521 4.622 1.00 0.00 C ATOM 302 CD LYS A 94 -10.573 -10.717 6.140 1.00 0.00 C ATOM 303 CE LYS A 94 -11.653 -9.828 6.761 1.00 0.00 C ATOM 304 NZ LYS A 94 -11.669 -10.027 8.238 1.00 0.00 N ATOM 0 H LYS A 94 -9.050 -9.214 2.989 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.694 -11.898 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.691 -12.463 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.509 -11.187 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.362 -9.477 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.535 -10.767 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.766 -11.763 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.598 -10.468 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.458 -8.782 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.628 -10.073 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.179 -9.241 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.146 -10.923 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.693 -10.056 8.595 1.00 0.00 H new ATOM 318 N ASP A 95 -11.542 -10.474 1.612 1.00 0.00 N ATOM 319 CA ASP A 95 -12.868 -10.634 1.028 1.00 0.00 C ATOM 320 C ASP A 95 -12.761 -11.029 -0.440 1.00 0.00 C ATOM 321 O ASP A 95 -13.663 -11.660 -0.991 1.00 0.00 O ATOM 322 CB ASP A 95 -13.655 -9.329 1.152 1.00 0.00 C ATOM 323 CG ASP A 95 -14.034 -9.086 2.608 1.00 0.00 C ATOM 324 OD1 ASP A 95 -13.919 -10.013 3.393 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.436 -7.977 2.917 1.00 0.00 O ATOM 0 H ASP A 95 -11.266 -9.507 1.782 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.390 -11.424 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.057 -8.497 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.553 -9.377 0.537 1.00 0.00 H new ATOM 330 N GLY A 96 -11.650 -10.656 -1.064 1.00 0.00 N ATOM 331 CA GLY A 96 -11.430 -10.979 -2.468 1.00 0.00 C ATOM 332 C GLY A 96 -12.378 -10.192 -3.369 1.00 0.00 C ATOM 333 O GLY A 96 -12.683 -10.618 -4.483 1.00 0.00 O ATOM 0 H GLY A 96 -10.893 -10.133 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.398 -10.756 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.577 -12.047 -2.626 1.00 0.00 H new ATOM 337 N ASN A 97 -12.845 -9.046 -2.882 1.00 0.00 N ATOM 338 CA ASN A 97 -13.761 -8.216 -3.659 1.00 0.00 C ATOM 339 C ASN A 97 -12.996 -7.162 -4.455 1.00 0.00 C ATOM 340 O ASN A 97 -13.579 -6.445 -5.268 1.00 0.00 O ATOM 341 CB ASN A 97 -14.762 -7.527 -2.730 1.00 0.00 C ATOM 342 CG ASN A 97 -14.076 -7.117 -1.432 1.00 0.00 C ATOM 343 OD1 ASN A 97 -12.858 -6.652 -1.468 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 -14.665 -7.228 -0.357 1.00 0.00 N flip ATOM 0 H ASN A 97 -12.608 -8.673 -1.963 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.296 -8.862 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.182 -6.649 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.593 -8.199 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.618 -7.592 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.201 -6.956 0.509 1.00 0.00 H new ATOM 351 N GLY A 98 -11.692 -7.073 -4.216 1.00 0.00 N ATOM 352 CA GLY A 98 -10.865 -6.095 -4.917 1.00 0.00 C ATOM 353 C GLY A 98 -10.700 -4.818 -4.091 1.00 0.00 C ATOM 354 O GLY A 98 -10.212 -3.804 -4.591 1.00 0.00 O ATOM 0 H GLY A 98 -11.188 -7.659 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.886 -6.526 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.318 -5.854 -5.878 1.00 0.00 H new ATOM 358 N TYR A 99 -11.125 -4.876 -2.832 1.00 0.00 N ATOM 359 CA TYR A 99 -11.032 -3.709 -1.954 1.00 0.00 C ATOM 360 C TYR A 99 -10.500 -4.068 -0.572 1.00 0.00 C ATOM 361 O TYR A 99 -10.652 -5.194 -0.100 1.00 0.00 O ATOM 362 CB TYR A 99 -12.403 -3.052 -1.791 1.00 0.00 C ATOM 363 CG TYR A 99 -12.948 -2.627 -3.132 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.362 -3.595 -4.054 1.00 0.00 C ATOM 365 CD2 TYR A 99 -13.057 -1.265 -3.446 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.877 -3.206 -5.294 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.573 -0.876 -4.688 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.982 -1.846 -5.613 1.00 0.00 C ATOM 369 OH TYR A 99 -14.491 -1.463 -6.837 1.00 0.00 O ATOM 0 H TYR A 99 -11.532 -5.705 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.333 -3.019 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.093 -3.749 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.322 -2.186 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.284 -4.644 -3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.744 -0.518 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.194 -3.954 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.656 0.172 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.496 -0.485 -6.897 1.00 0.00 H new ATOM 379 N ILE A 100 -9.920 -3.070 0.091 1.00 0.00 N ATOM 380 CA ILE A 100 -9.411 -3.239 1.445 1.00 0.00 C ATOM 381 C ILE A 100 -9.970 -2.100 2.289 1.00 0.00 C ATOM 382 O ILE A 100 -10.114 -0.982 1.796 1.00 0.00 O ATOM 383 CB ILE A 100 -7.870 -3.206 1.466 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.361 -1.784 1.724 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.326 -3.655 0.113 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.858 -1.729 1.440 1.00 0.00 C ATOM 0 H ILE A 100 -9.792 -2.133 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.721 -4.206 1.841 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.532 -3.871 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.890 -1.074 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.559 -1.496 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.236 -3.630 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.662 -4.671 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.690 -2.985 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.490 -0.719 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.338 -2.428 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.674 -2.000 0.401 1.00 0.00 H new ATOM 398 N SER A 101 -10.298 -2.365 3.544 1.00 0.00 N ATOM 399 CA SER A 101 -10.849 -1.311 4.381 1.00 0.00 C ATOM 400 C SER A 101 -9.846 -0.162 4.499 1.00 0.00 C ATOM 401 O SER A 101 -8.665 -0.384 4.763 1.00 0.00 O ATOM 402 CB SER A 101 -11.179 -1.857 5.771 1.00 0.00 C ATOM 403 OG SER A 101 -12.211 -2.828 5.660 1.00 0.00 O ATOM 0 H SER A 101 -10.196 -3.274 3.996 1.00 0.00 H new ATOM 0 HA SER A 101 -11.766 -0.941 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.291 -2.302 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.495 -1.046 6.427 1.00 0.00 H new ATOM 0 HG SER A 101 -12.424 -3.182 6.549 1.00 0.00 H new ATOM 409 N ALA A 102 -10.323 1.067 4.304 1.00 0.00 N ATOM 410 CA ALA A 102 -9.453 2.237 4.397 1.00 0.00 C ATOM 411 C ALA A 102 -8.881 2.362 5.807 1.00 0.00 C ATOM 412 O ALA A 102 -7.718 2.720 5.991 1.00 0.00 O ATOM 413 CB ALA A 102 -10.227 3.507 4.033 1.00 0.00 C ATOM 0 H ALA A 102 -11.296 1.277 4.083 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.631 2.112 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.565 4.370 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.603 3.424 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.065 3.632 4.719 1.00 0.00 H new ATOM 419 N ALA A 103 -9.717 2.074 6.798 1.00 0.00 N ATOM 420 CA ALA A 103 -9.291 2.168 8.192 1.00 0.00 C ATOM 421 C ALA A 103 -8.093 1.255 8.424 1.00 0.00 C ATOM 422 O ALA A 103 -7.126 1.637 9.083 1.00 0.00 O ATOM 423 CB ALA A 103 -10.434 1.760 9.125 1.00 0.00 C ATOM 0 H ALA A 103 -10.684 1.776 6.666 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.011 3.200 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.103 1.835 10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.286 2.422 8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.729 0.733 8.912 1.00 0.00 H new ATOM 429 N GLU A 104 -8.156 0.054 7.862 1.00 0.00 N ATOM 430 CA GLU A 104 -7.069 -0.906 7.988 1.00 0.00 C ATOM 431 C GLU A 104 -5.783 -0.357 7.376 1.00 0.00 C ATOM 432 O GLU A 104 -4.699 -0.540 7.927 1.00 0.00 O ATOM 433 CB GLU A 104 -7.469 -2.207 7.282 1.00 0.00 C ATOM 434 CG GLU A 104 -6.226 -3.030 6.924 1.00 0.00 C ATOM 435 CD GLU A 104 -5.648 -2.572 5.584 1.00 0.00 C ATOM 436 OE1 GLU A 104 -6.426 -2.245 4.704 1.00 0.00 O ATOM 437 OE2 GLU A 104 -4.435 -2.551 5.459 1.00 0.00 O ATOM 0 H GLU A 104 -8.950 -0.278 7.314 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.885 -1.096 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.125 -2.791 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.033 -1.978 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.474 -2.924 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.485 -4.087 6.873 1.00 0.00 H new ATOM 444 N LEU A 105 -5.906 0.297 6.225 1.00 0.00 N ATOM 445 CA LEU A 105 -4.734 0.839 5.548 1.00 0.00 C ATOM 446 C LEU A 105 -4.005 1.840 6.436 1.00 0.00 C ATOM 447 O LEU A 105 -2.785 1.772 6.582 1.00 0.00 O ATOM 448 CB LEU A 105 -5.152 1.518 4.242 1.00 0.00 C ATOM 449 CG LEU A 105 -3.921 2.105 3.547 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.926 1.689 2.074 1.00 0.00 C ATOM 451 CD2 LEU A 105 -3.963 3.631 3.644 1.00 0.00 C ATOM 0 H LEU A 105 -6.792 0.463 5.748 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.056 0.014 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.642 0.797 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.876 2.306 4.447 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.016 1.734 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.051 2.105 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.901 0.602 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.830 2.064 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.087 4.051 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.866 4.002 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.966 3.929 4.692 1.00 0.00 H new ATOM 463 N ARG A 106 -4.746 2.778 7.015 1.00 0.00 N ATOM 464 CA ARG A 106 -4.124 3.785 7.867 1.00 0.00 C ATOM 465 C ARG A 106 -3.370 3.122 9.014 1.00 0.00 C ATOM 466 O ARG A 106 -2.206 3.434 9.261 1.00 0.00 O ATOM 467 CB ARG A 106 -5.191 4.722 8.439 1.00 0.00 C ATOM 468 CG ARG A 106 -4.527 5.760 9.349 1.00 0.00 C ATOM 469 CD ARG A 106 -4.731 5.378 10.818 1.00 0.00 C ATOM 470 NE ARG A 106 -4.060 6.341 11.682 1.00 0.00 N ATOM 471 CZ ARG A 106 -3.898 6.102 12.979 1.00 0.00 C ATOM 472 NH1 ARG A 106 -4.341 4.989 13.497 1.00 0.00 N ATOM 473 NH2 ARG A 106 -3.291 6.976 13.733 1.00 0.00 N ATOM 0 H ARG A 106 -5.757 2.863 6.914 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.422 4.358 7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.724 5.221 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.929 4.150 9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.462 5.823 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.951 6.746 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.796 5.349 11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.338 4.378 11.000 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.709 7.212 11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.811 4.303 12.906 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.217 4.805 14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.940 7.844 13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.167 6.792 14.729 1.00 0.00 H new ATOM 487 N HIS A 107 -4.033 2.206 9.716 1.00 0.00 N ATOM 488 CA HIS A 107 -3.403 1.516 10.838 1.00 0.00 C ATOM 489 C HIS A 107 -2.182 0.732 10.375 1.00 0.00 C ATOM 490 O HIS A 107 -1.114 0.810 10.977 1.00 0.00 O ATOM 491 CB HIS A 107 -4.411 0.566 11.486 1.00 0.00 C ATOM 492 CG HIS A 107 -3.746 -0.186 12.603 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.377 -1.501 12.728 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -3.380 0.427 13.790 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -2.791 -1.705 13.974 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -2.817 -0.511 14.574 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.996 1.927 9.530 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.079 2.260 11.566 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.262 1.129 11.869 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.798 -0.132 10.744 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.511 -2.220 12.017 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.521 1.468 14.041 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.399 -2.630 14.371 1.00 0.00 H new ATOM 505 N VAL A 108 -2.358 -0.017 9.298 1.00 0.00 N ATOM 506 CA VAL A 108 -1.283 -0.822 8.731 1.00 0.00 C ATOM 507 C VAL A 108 -0.121 0.056 8.266 1.00 0.00 C ATOM 508 O VAL A 108 1.046 -0.314 8.409 1.00 0.00 O ATOM 509 CB VAL A 108 -1.831 -1.650 7.564 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.684 -2.284 6.775 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.719 -2.766 8.122 1.00 0.00 C ATOM 0 H VAL A 108 -3.242 -0.085 8.794 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.901 -1.490 9.503 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.402 -0.998 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.090 -2.869 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.037 -1.500 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.107 -2.935 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.115 -3.362 7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.131 -3.404 8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.545 -2.328 8.683 1.00 0.00 H new ATOM 521 N MET A 109 -0.448 1.216 7.713 1.00 0.00 N ATOM 522 CA MET A 109 0.578 2.139 7.230 1.00 0.00 C ATOM 523 C MET A 109 1.316 2.811 8.382 1.00 0.00 C ATOM 524 O MET A 109 2.480 3.172 8.243 1.00 0.00 O ATOM 525 CB MET A 109 -0.045 3.217 6.341 1.00 0.00 C ATOM 526 CG MET A 109 0.007 2.775 4.878 1.00 0.00 C ATOM 527 SD MET A 109 -0.499 1.041 4.748 1.00 0.00 S ATOM 528 CE MET A 109 0.449 0.634 3.262 1.00 0.00 C ATOM 0 H MET A 109 -1.406 1.541 7.587 1.00 0.00 H new ATOM 0 HA MET A 109 1.292 1.551 6.653 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.078 3.396 6.640 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.490 4.158 6.465 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.650 3.402 4.275 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.016 2.900 4.486 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.395 -0.439 3.079 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.034 1.169 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.490 0.926 3.403 1.00 0.00 H new ATOM 538 N THR A 110 0.636 3.000 9.509 1.00 0.00 N ATOM 539 CA THR A 110 1.259 3.666 10.649 1.00 0.00 C ATOM 540 C THR A 110 1.649 2.682 11.751 1.00 0.00 C ATOM 541 O THR A 110 2.418 3.035 12.641 1.00 0.00 O ATOM 542 CB THR A 110 0.292 4.710 11.216 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.873 4.061 11.704 1.00 0.00 O ATOM 544 CG2 THR A 110 -0.099 5.699 10.116 1.00 0.00 C ATOM 0 H THR A 110 -0.330 2.707 9.657 1.00 0.00 H new ATOM 0 HA THR A 110 2.173 4.143 10.295 1.00 0.00 H new ATOM 0 HB THR A 110 0.778 5.248 12.030 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.443 3.802 10.950 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.787 6.441 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.794 6.199 9.742 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.583 5.163 9.300 1.00 0.00 H new ATOM 552 N ASN A 111 1.099 1.468 11.714 1.00 0.00 N ATOM 553 CA ASN A 111 1.394 0.477 12.754 1.00 0.00 C ATOM 554 C ASN A 111 2.367 -0.608 12.280 1.00 0.00 C ATOM 555 O ASN A 111 3.296 -0.967 13.003 1.00 0.00 O ATOM 556 CB ASN A 111 0.097 -0.185 13.221 1.00 0.00 C ATOM 557 CG ASN A 111 0.359 -1.020 14.471 1.00 0.00 C ATOM 558 OD1 ASN A 111 0.922 -2.111 14.383 1.00 0.00 O ATOM 559 ND2 ASN A 111 -0.017 -0.567 15.636 1.00 0.00 N ATOM 0 H ASN A 111 0.457 1.149 10.989 1.00 0.00 H new ATOM 0 HA ASN A 111 1.871 1.012 13.575 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.654 0.576 13.433 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.304 -0.817 12.429 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.156 -1.118 16.477 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.483 0.338 15.705 1.00 0.00 H new ATOM 566 N LEU A 112 2.140 -1.148 11.083 1.00 0.00 N ATOM 567 CA LEU A 112 3.000 -2.215 10.565 1.00 0.00 C ATOM 568 C LEU A 112 4.012 -1.680 9.557 1.00 0.00 C ATOM 569 O LEU A 112 3.695 -0.816 8.741 1.00 0.00 O ATOM 570 CB LEU A 112 2.150 -3.288 9.887 1.00 0.00 C ATOM 571 CG LEU A 112 1.113 -3.840 10.869 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.254 -4.891 10.162 1.00 0.00 C ATOM 573 CD2 LEU A 112 1.821 -4.487 12.062 1.00 0.00 C ATOM 0 H LEU A 112 1.381 -0.871 10.461 1.00 0.00 H new ATOM 0 HA LEU A 112 3.541 -2.639 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.648 -2.868 9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.788 -4.096 9.529 1.00 0.00 H new ATOM 0 HG LEU A 112 0.483 -3.024 11.222 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.485 -5.286 10.859 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.255 -4.434 9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.890 -5.703 9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.078 -4.878 12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.454 -5.302 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.435 -3.742 12.568 1.00 0.00 H new ATOM 585 N GLY A 113 5.227 -2.221 9.619 1.00 0.00 N ATOM 586 CA GLY A 113 6.292 -1.817 8.709 1.00 0.00 C ATOM 587 C GLY A 113 6.571 -0.325 8.829 1.00 0.00 C ATOM 588 O GLY A 113 5.640 0.475 8.756 1.00 0.00 O ATOM 0 H GLY A 113 5.497 -2.940 10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.199 -2.380 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.011 -2.057 7.684 1.00 0.00 H new ATOM 592 N GLU A 114 7.857 0.026 9.009 1.00 0.00 N ATOM 593 CA GLU A 114 8.289 1.427 9.136 1.00 0.00 C ATOM 594 C GLU A 114 7.097 2.366 9.254 1.00 0.00 C ATOM 595 O GLU A 114 6.586 2.860 8.253 1.00 0.00 O ATOM 596 CB GLU A 114 9.134 1.821 7.926 1.00 0.00 C ATOM 597 CG GLU A 114 10.356 0.905 7.844 1.00 0.00 C ATOM 598 CD GLU A 114 11.293 1.179 9.014 1.00 0.00 C ATOM 599 OE1 GLU A 114 11.158 2.228 9.623 1.00 0.00 O ATOM 600 OE2 GLU A 114 12.133 0.337 9.285 1.00 0.00 O ATOM 0 H GLU A 114 8.620 -0.649 9.070 1.00 0.00 H new ATOM 0 HA GLU A 114 8.883 1.515 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.543 1.741 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.450 2.861 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.040 -0.138 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.880 1.068 6.902 1.00 0.00 H new ATOM 607 N LYS A 115 6.632 2.569 10.476 1.00 0.00 N ATOM 608 CA LYS A 115 5.463 3.407 10.714 1.00 0.00 C ATOM 609 C LYS A 115 5.530 4.709 9.911 1.00 0.00 C ATOM 610 O LYS A 115 6.523 5.434 9.965 1.00 0.00 O ATOM 611 CB LYS A 115 5.376 3.745 12.206 1.00 0.00 C ATOM 612 CG LYS A 115 5.334 2.448 13.030 1.00 0.00 C ATOM 613 CD LYS A 115 5.356 2.767 14.534 1.00 0.00 C ATOM 614 CE LYS A 115 3.975 3.239 15.008 1.00 0.00 C ATOM 615 NZ LYS A 115 4.000 3.432 16.485 1.00 0.00 N ATOM 0 H LYS A 115 7.043 2.167 11.318 1.00 0.00 H new ATOM 0 HA LYS A 115 4.581 2.852 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.234 4.348 12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.485 4.341 12.402 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.435 1.883 12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.186 1.819 12.773 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.655 1.881 15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.099 3.538 14.736 1.00 0.00 H new ATOM 0 HE2 LYS A 115 3.707 4.172 14.512 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.215 2.505 14.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 3.065 3.752 16.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.238 2.532 16.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.715 4.147 16.730 1.00 0.00 H new ATOM 629 N LEU A 116 4.444 5.008 9.193 1.00 0.00 N ATOM 630 CA LEU A 116 4.362 6.241 8.411 1.00 0.00 C ATOM 631 C LEU A 116 3.839 7.351 9.313 1.00 0.00 C ATOM 632 O LEU A 116 3.186 7.071 10.319 1.00 0.00 O ATOM 633 CB LEU A 116 3.398 6.080 7.221 1.00 0.00 C ATOM 634 CG LEU A 116 4.131 5.581 5.964 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.118 6.643 5.467 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.893 4.300 6.289 1.00 0.00 C ATOM 0 H LEU A 116 3.615 4.416 9.138 1.00 0.00 H new ATOM 0 HA LEU A 116 5.354 6.479 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.607 5.378 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.918 7.035 7.008 1.00 0.00 H new ATOM 0 HG LEU A 116 3.395 5.385 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.630 6.276 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.577 7.557 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.851 6.852 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.411 3.949 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.620 4.499 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.193 3.536 6.626 1.00 0.00 H new ATOM 648 N THR A 117 4.104 8.603 8.963 1.00 0.00 N ATOM 649 CA THR A 117 3.622 9.714 9.773 1.00 0.00 C ATOM 650 C THR A 117 2.291 10.224 9.229 1.00 0.00 C ATOM 651 O THR A 117 1.842 9.796 8.166 1.00 0.00 O ATOM 652 CB THR A 117 4.649 10.847 9.783 1.00 0.00 C ATOM 653 OG1 THR A 117 4.805 11.353 8.469 1.00 0.00 O ATOM 654 CG2 THR A 117 5.989 10.318 10.294 1.00 0.00 C ATOM 0 H THR A 117 4.641 8.872 8.138 1.00 0.00 H new ATOM 0 HA THR A 117 3.476 9.362 10.794 1.00 0.00 H new ATOM 0 HB THR A 117 4.304 11.646 10.439 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.404 12.245 8.412 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.720 11.126 10.301 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.866 9.932 11.306 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.338 9.519 9.640 1.00 0.00 H new ATOM 662 N ASP A 118 1.658 11.126 9.969 1.00 0.00 N ATOM 663 CA ASP A 118 0.370 11.671 9.554 1.00 0.00 C ATOM 664 C ASP A 118 0.473 12.353 8.191 1.00 0.00 C ATOM 665 O ASP A 118 -0.413 12.203 7.349 1.00 0.00 O ATOM 666 CB ASP A 118 -0.124 12.681 10.593 1.00 0.00 C ATOM 667 CG ASP A 118 -1.505 13.197 10.205 1.00 0.00 C ATOM 668 OD1 ASP A 118 -1.951 12.877 9.114 1.00 0.00 O ATOM 669 OD2 ASP A 118 -2.098 13.904 11.002 1.00 0.00 O ATOM 0 H ASP A 118 2.011 11.494 10.852 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.337 10.845 9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.165 12.213 11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.577 13.513 10.665 1.00 0.00 H new ATOM 674 N GLU A 119 1.549 13.104 7.976 1.00 0.00 N ATOM 675 CA GLU A 119 1.733 13.803 6.707 1.00 0.00 C ATOM 676 C GLU A 119 1.823 12.806 5.553 1.00 0.00 C ATOM 677 O GLU A 119 1.244 13.025 4.489 1.00 0.00 O ATOM 678 CB GLU A 119 3.009 14.648 6.759 1.00 0.00 C ATOM 679 CG GLU A 119 2.801 15.831 7.706 1.00 0.00 C ATOM 680 CD GLU A 119 4.116 16.577 7.903 1.00 0.00 C ATOM 681 OE1 GLU A 119 5.142 16.040 7.521 1.00 0.00 O ATOM 682 OE2 GLU A 119 4.077 17.675 8.434 1.00 0.00 O ATOM 0 H GLU A 119 2.298 13.244 8.654 1.00 0.00 H new ATOM 0 HA GLU A 119 0.874 14.453 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.847 14.039 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.260 15.007 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.048 16.506 7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.426 15.477 8.667 1.00 0.00 H new ATOM 689 N GLU A 120 2.531 11.704 5.776 1.00 0.00 N ATOM 690 CA GLU A 120 2.663 10.675 4.754 1.00 0.00 C ATOM 691 C GLU A 120 1.335 9.954 4.543 1.00 0.00 C ATOM 692 O GLU A 120 0.944 9.665 3.413 1.00 0.00 O ATOM 693 CB GLU A 120 3.732 9.670 5.172 1.00 0.00 C ATOM 694 CG GLU A 120 5.117 10.239 4.859 1.00 0.00 C ATOM 695 CD GLU A 120 5.147 11.737 5.136 1.00 0.00 C ATOM 696 OE1 GLU A 120 4.859 12.118 6.255 1.00 0.00 O ATOM 697 OE2 GLU A 120 5.461 12.483 4.223 1.00 0.00 O ATOM 0 H GLU A 120 3.019 11.502 6.649 1.00 0.00 H new ATOM 0 HA GLU A 120 2.954 11.150 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.648 9.455 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.587 8.727 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.870 9.735 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.368 10.050 3.815 1.00 0.00 H new ATOM 704 N VAL A 121 0.646 9.670 5.646 1.00 0.00 N ATOM 705 CA VAL A 121 -0.641 8.986 5.593 1.00 0.00 C ATOM 706 C VAL A 121 -1.693 9.856 4.902 1.00 0.00 C ATOM 707 O VAL A 121 -2.490 9.367 4.107 1.00 0.00 O ATOM 708 CB VAL A 121 -1.097 8.652 7.018 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.534 8.135 6.998 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.184 7.574 7.607 1.00 0.00 C ATOM 0 H VAL A 121 0.959 9.904 6.588 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.526 8.068 5.017 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.046 9.554 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.850 7.900 8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.190 8.899 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.589 7.236 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.508 7.336 8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.235 6.677 6.990 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.842 7.940 7.631 1.00 0.00 H new ATOM 720 N ASP A 122 -1.713 11.145 5.223 1.00 0.00 N ATOM 721 CA ASP A 122 -2.700 12.037 4.625 1.00 0.00 C ATOM 722 C ASP A 122 -2.560 12.036 3.106 1.00 0.00 C ATOM 723 O ASP A 122 -3.557 12.008 2.384 1.00 0.00 O ATOM 724 CB ASP A 122 -2.509 13.458 5.162 1.00 0.00 C ATOM 725 CG ASP A 122 -2.955 13.530 6.618 1.00 0.00 C ATOM 726 OD1 ASP A 122 -3.598 12.597 7.068 1.00 0.00 O ATOM 727 OD2 ASP A 122 -2.645 14.519 7.264 1.00 0.00 O ATOM 0 H ASP A 122 -1.071 11.589 5.880 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.697 11.684 4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.462 13.749 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.084 14.163 4.562 1.00 0.00 H new ATOM 732 N GLU A 123 -1.323 12.038 2.630 1.00 0.00 N ATOM 733 CA GLU A 123 -1.068 12.006 1.196 1.00 0.00 C ATOM 734 C GLU A 123 -1.601 10.696 0.622 1.00 0.00 C ATOM 735 O GLU A 123 -2.170 10.661 -0.470 1.00 0.00 O ATOM 736 CB GLU A 123 0.438 12.119 0.927 1.00 0.00 C ATOM 737 CG GLU A 123 0.705 12.136 -0.582 1.00 0.00 C ATOM 738 CD GLU A 123 0.082 13.377 -1.213 1.00 0.00 C ATOM 739 OE1 GLU A 123 -0.189 14.315 -0.482 1.00 0.00 O ATOM 740 OE2 GLU A 123 -0.111 13.372 -2.418 1.00 0.00 O ATOM 0 H GLU A 123 -0.485 12.061 3.211 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.572 12.846 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.829 13.028 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.961 11.281 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.779 12.124 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.291 11.239 -1.042 1.00 0.00 H new ATOM 747 N MET A 124 -1.421 9.626 1.386 1.00 0.00 N ATOM 748 CA MET A 124 -1.887 8.304 0.990 1.00 0.00 C ATOM 749 C MET A 124 -3.415 8.255 0.974 1.00 0.00 C ATOM 750 O MET A 124 -4.016 7.634 0.099 1.00 0.00 O ATOM 751 CB MET A 124 -1.349 7.282 1.992 1.00 0.00 C ATOM 752 CG MET A 124 0.171 7.198 1.858 1.00 0.00 C ATOM 753 SD MET A 124 0.592 5.992 0.580 1.00 0.00 S ATOM 754 CE MET A 124 0.389 4.523 1.614 1.00 0.00 C ATOM 0 H MET A 124 -0.951 9.650 2.291 1.00 0.00 H new ATOM 0 HA MET A 124 -1.528 8.077 -0.014 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.621 7.572 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.797 6.305 1.809 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.579 8.175 1.601 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.616 6.907 2.810 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.369 4.148 1.909 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.184 4.781 2.505 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.141 3.753 1.053 1.00 0.00 H new ATOM 764 N ILE A 125 -4.033 8.909 1.961 1.00 0.00 N ATOM 765 CA ILE A 125 -5.492 8.931 2.073 1.00 0.00 C ATOM 766 C ILE A 125 -6.129 9.597 0.858 1.00 0.00 C ATOM 767 O ILE A 125 -7.156 9.138 0.358 1.00 0.00 O ATOM 768 CB ILE A 125 -5.904 9.653 3.372 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.428 8.629 4.395 1.00 0.00 C ATOM 770 CG2 ILE A 125 -6.981 10.718 3.109 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.290 7.699 4.837 1.00 0.00 C ATOM 0 H ILE A 125 -3.547 9.429 2.692 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.853 7.903 2.109 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.022 10.155 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.843 9.146 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.236 8.045 3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.247 11.206 4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.596 11.460 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.865 10.244 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.670 6.978 5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.895 7.169 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.495 8.288 5.295 1.00 0.00 H new ATOM 783 N ARG A 126 -5.526 10.678 0.388 1.00 0.00 N ATOM 784 CA ARG A 126 -6.062 11.388 -0.766 1.00 0.00 C ATOM 785 C ARG A 126 -6.025 10.491 -1.995 1.00 0.00 C ATOM 786 O ARG A 126 -6.820 10.650 -2.920 1.00 0.00 O ATOM 787 CB ARG A 126 -5.251 12.657 -1.030 1.00 0.00 C ATOM 788 CG ARG A 126 -5.501 13.665 0.092 1.00 0.00 C ATOM 789 CD ARG A 126 -4.603 14.885 -0.110 1.00 0.00 C ATOM 790 NE ARG A 126 -4.947 15.560 -1.356 1.00 0.00 N ATOM 791 CZ ARG A 126 -4.204 16.554 -1.827 1.00 0.00 C ATOM 792 NH1 ARG A 126 -3.142 16.941 -1.176 1.00 0.00 N ATOM 793 NH2 ARG A 126 -4.536 17.143 -2.943 1.00 0.00 N ATOM 0 H ARG A 126 -4.675 11.080 0.781 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.095 11.664 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.189 12.417 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.533 13.088 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -6.548 13.968 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.297 13.206 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.716 15.572 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.558 14.577 -0.131 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.773 15.263 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.882 16.480 -0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.572 17.705 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.366 16.840 -3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.966 17.907 -3.306 1.00 0.00 H new ATOM 807 N GLU A 127 -5.101 9.541 -1.988 1.00 0.00 N ATOM 808 CA GLU A 127 -4.973 8.609 -3.099 1.00 0.00 C ATOM 809 C GLU A 127 -5.704 7.299 -2.799 1.00 0.00 C ATOM 810 O GLU A 127 -5.813 6.429 -3.663 1.00 0.00 O ATOM 811 CB GLU A 127 -3.499 8.323 -3.370 1.00 0.00 C ATOM 812 CG GLU A 127 -2.778 9.631 -3.709 1.00 0.00 C ATOM 813 CD GLU A 127 -3.292 10.182 -5.035 1.00 0.00 C ATOM 814 OE1 GLU A 127 -3.858 9.413 -5.795 1.00 0.00 O ATOM 815 OE2 GLU A 127 -3.114 11.365 -5.270 1.00 0.00 O ATOM 0 H GLU A 127 -4.433 9.396 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.425 9.064 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.041 7.859 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.400 7.617 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.939 10.361 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.703 9.458 -3.770 1.00 0.00 H new ATOM 822 N ALA A 128 -6.183 7.155 -1.565 1.00 0.00 N ATOM 823 CA ALA A 128 -6.877 5.932 -1.165 1.00 0.00 C ATOM 824 C ALA A 128 -8.372 5.999 -1.498 1.00 0.00 C ATOM 825 O ALA A 128 -8.798 5.437 -2.503 1.00 0.00 O ATOM 826 CB ALA A 128 -6.665 5.687 0.333 1.00 0.00 C ATOM 0 H ALA A 128 -6.105 7.860 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.458 5.098 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.183 4.775 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.599 5.582 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.061 6.530 0.899 1.00 0.00 H new ATOM 832 N ASP A 129 -9.159 6.694 -0.666 1.00 0.00 N ATOM 833 CA ASP A 129 -10.608 6.829 -0.906 1.00 0.00 C ATOM 834 C ASP A 129 -11.361 7.204 0.374 1.00 0.00 C ATOM 835 O ASP A 129 -11.591 8.380 0.642 1.00 0.00 O ATOM 836 CB ASP A 129 -11.200 5.521 -1.463 1.00 0.00 C ATOM 837 CG ASP A 129 -11.310 5.595 -2.986 1.00 0.00 C ATOM 838 OD1 ASP A 129 -11.798 6.600 -3.479 1.00 0.00 O ATOM 839 OD2 ASP A 129 -10.907 4.644 -3.636 1.00 0.00 O ATOM 0 H ASP A 129 -8.824 7.169 0.172 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.730 7.628 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.570 4.678 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -12.184 5.345 -1.029 1.00 0.00 H new ATOM 844 N ILE A 130 -11.772 6.172 1.112 1.00 0.00 N ATOM 845 CA ILE A 130 -12.547 6.312 2.349 1.00 0.00 C ATOM 846 C ILE A 130 -14.009 6.585 2.017 1.00 0.00 C ATOM 847 O ILE A 130 -14.861 5.707 2.157 1.00 0.00 O ATOM 848 CB ILE A 130 -11.996 7.415 3.267 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.518 7.142 3.561 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.770 7.401 4.586 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.906 8.335 4.300 1.00 0.00 C ATOM 0 H ILE A 130 -11.574 5.202 0.866 1.00 0.00 H new ATOM 0 HA ILE A 130 -12.462 5.372 2.894 1.00 0.00 H new ATOM 0 HB ILE A 130 -12.104 8.383 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.419 6.239 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -9.980 6.964 2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -12.384 8.181 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.827 7.582 4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.651 6.430 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.855 8.135 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.991 9.229 3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.436 8.492 5.239 1.00 0.00 H new ATOM 863 N ASP A 131 -14.290 7.796 1.572 1.00 0.00 N ATOM 864 CA ASP A 131 -15.654 8.170 1.211 1.00 0.00 C ATOM 865 C ASP A 131 -16.619 7.858 2.353 1.00 0.00 C ATOM 866 O ASP A 131 -17.726 7.371 2.128 1.00 0.00 O ATOM 867 CB ASP A 131 -16.087 7.413 -0.044 1.00 0.00 C ATOM 868 CG ASP A 131 -15.301 7.913 -1.251 1.00 0.00 C ATOM 869 OD1 ASP A 131 -14.694 8.966 -1.143 1.00 0.00 O ATOM 870 OD2 ASP A 131 -15.317 7.236 -2.266 1.00 0.00 O ATOM 0 H ASP A 131 -13.600 8.537 1.451 1.00 0.00 H new ATOM 0 HA ASP A 131 -15.676 9.242 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -15.922 6.344 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -17.155 7.552 -0.212 1.00 0.00 H new ATOM 875 N GLY A 132 -16.191 8.151 3.575 1.00 0.00 N ATOM 876 CA GLY A 132 -17.028 7.904 4.745 1.00 0.00 C ATOM 877 C GLY A 132 -17.137 6.411 5.041 1.00 0.00 C ATOM 878 O GLY A 132 -16.978 5.982 6.183 1.00 0.00 O ATOM 0 H GLY A 132 -15.278 8.556 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.610 8.419 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.022 8.318 4.578 1.00 0.00 H new ATOM 882 N ASP A 133 -17.434 5.624 4.007 1.00 0.00 N ATOM 883 CA ASP A 133 -17.593 4.182 4.178 1.00 0.00 C ATOM 884 C ASP A 133 -16.330 3.570 4.767 1.00 0.00 C ATOM 885 O ASP A 133 -16.402 2.684 5.619 1.00 0.00 O ATOM 886 CB ASP A 133 -17.898 3.526 2.829 1.00 0.00 C ATOM 887 CG ASP A 133 -19.312 3.881 2.381 1.00 0.00 C ATOM 888 OD1 ASP A 133 -20.063 4.381 3.201 1.00 0.00 O ATOM 889 OD2 ASP A 133 -19.622 3.645 1.226 1.00 0.00 O ATOM 0 H ASP A 133 -17.568 5.957 3.052 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.422 4.007 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.177 3.860 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.795 2.444 2.910 1.00 0.00 H new ATOM 894 N GLY A 134 -15.174 4.056 4.333 1.00 0.00 N ATOM 895 CA GLY A 134 -13.916 3.548 4.859 1.00 0.00 C ATOM 896 C GLY A 134 -13.389 2.362 4.059 1.00 0.00 C ATOM 897 O GLY A 134 -12.838 1.427 4.639 1.00 0.00 O ATOM 0 H GLY A 134 -15.082 4.789 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.174 4.346 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.054 3.250 5.898 1.00 0.00 H new ATOM 901 N GLN A 135 -13.534 2.409 2.730 1.00 0.00 N ATOM 902 CA GLN A 135 -13.026 1.323 1.891 1.00 0.00 C ATOM 903 C GLN A 135 -12.077 1.869 0.836 1.00 0.00 C ATOM 904 O GLN A 135 -12.270 2.969 0.317 1.00 0.00 O ATOM 905 CB GLN A 135 -14.157 0.564 1.205 1.00 0.00 C ATOM 906 CG GLN A 135 -15.408 0.580 2.082 1.00 0.00 C ATOM 907 CD GLN A 135 -15.099 -0.006 3.456 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.327 0.647 4.475 1.00 0.00 O ATOM 909 NE2 GLN A 135 -14.593 -1.204 3.545 1.00 0.00 N ATOM 0 H GLN A 135 -13.988 3.169 2.223 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.494 0.632 2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -14.375 1.017 0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -13.851 -0.464 1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.773 1.602 2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -16.202 0.006 1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -14.405 -1.742 2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -14.385 -1.603 4.460 1.00 0.00 H new ATOM 918 N VAL A 136 -11.044 1.092 0.536 1.00 0.00 N ATOM 919 CA VAL A 136 -10.046 1.491 -0.447 1.00 0.00 C ATOM 920 C VAL A 136 -9.784 0.400 -1.474 1.00 0.00 C ATOM 921 O VAL A 136 -9.602 -0.766 -1.131 1.00 0.00 O ATOM 922 CB VAL A 136 -8.743 1.849 0.261 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.607 1.925 -0.763 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.913 3.210 0.936 1.00 0.00 C ATOM 0 H VAL A 136 -10.876 0.180 0.961 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.437 2.358 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.502 1.090 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.677 2.181 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.497 0.960 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.837 2.689 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.989 3.481 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.145 3.963 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.726 3.158 1.660 1.00 0.00 H new ATOM 934 N ASN A 137 -9.733 0.806 -2.736 1.00 0.00 N ATOM 935 CA ASN A 137 -9.452 -0.120 -3.819 1.00 0.00 C ATOM 936 C ASN A 137 -7.947 -0.107 -4.085 1.00 0.00 C ATOM 937 O ASN A 137 -7.411 0.896 -4.546 1.00 0.00 O ATOM 938 CB ASN A 137 -10.207 0.306 -5.080 1.00 0.00 C ATOM 939 CG ASN A 137 -9.935 -0.679 -6.211 1.00 0.00 C ATOM 940 OD1 ASN A 137 -9.550 -1.892 -5.927 1.00 0.00 O flip ATOM 941 ND2 ASN A 137 -10.069 -0.329 -7.384 1.00 0.00 N flip ATOM 0 H ASN A 137 -9.883 1.770 -3.032 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.775 -1.124 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -11.277 0.350 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -9.898 1.308 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -10.370 0.621 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.879 -0.989 -8.138 1.00 0.00 H new ATOM 948 N TYR A 138 -7.259 -1.198 -3.768 1.00 0.00 N ATOM 949 CA TYR A 138 -5.809 -1.243 -3.959 1.00 0.00 C ATOM 950 C TYR A 138 -5.412 -1.166 -5.433 1.00 0.00 C ATOM 951 O TYR A 138 -4.228 -1.046 -5.748 1.00 0.00 O ATOM 952 CB TYR A 138 -5.221 -2.516 -3.341 1.00 0.00 C ATOM 953 CG TYR A 138 -5.818 -3.741 -3.994 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.273 -4.241 -5.182 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.912 -4.381 -3.407 1.00 0.00 C ATOM 956 CE1 TYR A 138 -5.826 -5.381 -5.780 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.461 -5.519 -3.998 1.00 0.00 C ATOM 958 CZ TYR A 138 -6.921 -6.021 -5.187 1.00 0.00 C ATOM 959 OH TYR A 138 -7.465 -7.145 -5.773 1.00 0.00 O ATOM 0 H TYR A 138 -7.669 -2.050 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.402 -0.366 -3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.138 -2.521 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.420 -2.533 -2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.427 -3.748 -5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.335 -3.993 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.408 -5.766 -6.698 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.304 -6.013 -3.537 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.846 -7.724 -5.080 1.00 0.00 H new ATOM 969 N GLU A 139 -6.380 -1.254 -6.339 1.00 0.00 N ATOM 970 CA GLU A 139 -6.052 -1.208 -7.761 1.00 0.00 C ATOM 971 C GLU A 139 -5.372 0.111 -8.132 1.00 0.00 C ATOM 972 O GLU A 139 -4.327 0.106 -8.782 1.00 0.00 O ATOM 973 CB GLU A 139 -7.321 -1.385 -8.600 1.00 0.00 C ATOM 974 CG GLU A 139 -6.955 -1.457 -10.089 1.00 0.00 C ATOM 975 CD GLU A 139 -6.737 -0.056 -10.658 1.00 0.00 C ATOM 976 OE1 GLU A 139 -7.325 0.879 -10.137 1.00 0.00 O ATOM 977 OE2 GLU A 139 -5.985 0.062 -11.611 1.00 0.00 O ATOM 0 H GLU A 139 -7.372 -1.355 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.359 -2.023 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.842 -2.294 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.003 -0.553 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.051 -2.053 -10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.750 -1.960 -10.640 1.00 0.00 H new ATOM 984 N GLU A 140 -5.965 1.240 -7.740 1.00 0.00 N ATOM 985 CA GLU A 140 -5.382 2.539 -8.075 1.00 0.00 C ATOM 986 C GLU A 140 -4.010 2.695 -7.440 1.00 0.00 C ATOM 987 O GLU A 140 -3.106 3.287 -8.028 1.00 0.00 O ATOM 988 CB GLU A 140 -6.301 3.669 -7.603 1.00 0.00 C ATOM 989 CG GLU A 140 -6.344 3.712 -6.075 1.00 0.00 C ATOM 990 CD GLU A 140 -7.390 4.721 -5.617 1.00 0.00 C ATOM 991 OE1 GLU A 140 -8.037 5.302 -6.472 1.00 0.00 O ATOM 992 OE2 GLU A 140 -7.528 4.898 -4.418 1.00 0.00 O ATOM 0 H GLU A 140 -6.830 1.282 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.273 2.593 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.945 4.623 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -7.306 3.519 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.581 2.724 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.365 3.985 -5.682 1.00 0.00 H new ATOM 999 N PHE A 141 -3.851 2.140 -6.246 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.565 2.209 -5.564 1.00 0.00 C ATOM 1001 C PHE A 141 -1.515 1.477 -6.384 1.00 0.00 C ATOM 1002 O PHE A 141 -0.411 1.970 -6.582 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.656 1.592 -4.166 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.719 2.685 -3.122 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.631 3.552 -2.965 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.845 2.822 -2.298 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.665 4.554 -1.990 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.879 3.827 -1.324 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.788 4.691 -1.169 1.00 0.00 C ATOM 0 H PHE A 141 -4.583 1.645 -5.736 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.283 3.256 -5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.541 0.959 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.792 0.953 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.763 3.447 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.685 2.153 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.824 5.221 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.748 3.936 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.814 5.464 -0.415 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.871 0.308 -6.890 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.944 -0.446 -7.713 1.00 0.00 C ATOM 1021 C VAL A 142 -0.601 0.353 -8.960 1.00 0.00 C ATOM 1022 O VAL A 142 0.554 0.399 -9.378 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.535 -1.804 -8.079 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -0.671 -2.457 -9.161 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.524 -2.687 -6.830 1.00 0.00 C ATOM 0 H VAL A 142 -2.780 -0.133 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.028 -0.623 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.553 -1.683 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.091 -3.428 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.650 -1.819 -10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.343 -2.590 -8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.943 -3.664 -7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.499 -2.809 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.122 -2.219 -6.048 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.603 1.003 -9.541 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.373 1.816 -10.725 1.00 0.00 C ATOM 1037 C GLN A 143 -0.369 2.915 -10.384 1.00 0.00 C ATOM 1038 O GLN A 143 0.540 3.204 -11.161 1.00 0.00 O ATOM 1039 CB GLN A 143 -2.692 2.444 -11.188 1.00 0.00 C ATOM 1040 CG GLN A 143 -2.493 3.164 -12.518 1.00 0.00 C ATOM 1041 CD GLN A 143 -2.158 2.152 -13.604 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -1.041 2.263 -14.254 1.00 0.00 O flip ATOM 1043 NE2 GLN A 143 -2.932 1.228 -13.853 1.00 0.00 N flip ATOM 0 H GLN A 143 -2.569 0.983 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.978 1.193 -11.528 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.454 1.672 -11.294 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.053 3.146 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.397 3.712 -12.785 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.690 3.896 -12.430 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.809 1.145 -13.339 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.696 0.545 -14.573 1.00 0.00 H new ATOM 1052 N MET A 144 -0.538 3.514 -9.205 1.00 0.00 N ATOM 1053 CA MET A 144 0.367 4.571 -8.760 1.00 0.00 C ATOM 1054 C MET A 144 1.785 4.026 -8.639 1.00 0.00 C ATOM 1055 O MET A 144 2.747 4.654 -9.082 1.00 0.00 O ATOM 1056 CB MET A 144 -0.069 5.085 -7.384 1.00 0.00 C ATOM 1057 CG MET A 144 -1.369 5.876 -7.495 1.00 0.00 C ATOM 1058 SD MET A 144 -2.143 5.979 -5.860 1.00 0.00 S ATOM 1059 CE MET A 144 -0.776 6.778 -4.982 1.00 0.00 C ATOM 0 H MET A 144 -1.285 3.288 -8.548 1.00 0.00 H new ATOM 0 HA MET A 144 0.338 5.380 -9.490 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.205 4.245 -6.702 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.712 5.716 -6.961 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.169 6.876 -7.880 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.044 5.392 -8.201 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.131 7.157 -4.023 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.021 6.054 -4.813 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.394 7.605 -5.580 1.00 0.00 H new ATOM 1069 N MET A 145 1.901 2.854 -8.023 1.00 0.00 N ATOM 1070 CA MET A 145 3.199 2.220 -7.825 1.00 0.00 C ATOM 1071 C MET A 145 3.753 1.653 -9.131 1.00 0.00 C ATOM 1072 O MET A 145 4.956 1.418 -9.246 1.00 0.00 O ATOM 1073 CB MET A 145 3.077 1.093 -6.783 1.00 0.00 C ATOM 1074 CG MET A 145 3.164 1.652 -5.350 1.00 0.00 C ATOM 1075 SD MET A 145 1.561 2.306 -4.833 1.00 0.00 S ATOM 1076 CE MET A 145 1.478 1.446 -3.243 1.00 0.00 C ATOM 0 H MET A 145 1.112 2.324 -7.652 1.00 0.00 H new ATOM 0 HA MET A 145 3.891 2.982 -7.467 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.129 0.571 -6.916 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.869 0.361 -6.940 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.482 0.866 -4.665 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.917 2.439 -5.304 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.778 1.962 -2.586 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.140 0.422 -3.401 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.466 1.435 -2.783 1.00 0.00 H new ATOM 1086 N THR A 146 2.879 1.438 -10.108 1.00 0.00 N ATOM 1087 CA THR A 146 3.301 0.896 -11.397 1.00 0.00 C ATOM 1088 C THR A 146 3.208 1.968 -12.477 1.00 0.00 C ATOM 1089 O THR A 146 3.174 1.664 -13.670 1.00 0.00 O ATOM 1090 CB THR A 146 2.423 -0.298 -11.776 1.00 0.00 C ATOM 1091 OG1 THR A 146 1.069 0.118 -11.856 1.00 0.00 O ATOM 1092 CG2 THR A 146 2.562 -1.390 -10.714 1.00 0.00 C ATOM 0 H THR A 146 1.880 1.629 -10.034 1.00 0.00 H new ATOM 0 HA THR A 146 4.337 0.567 -11.314 1.00 0.00 H new ATOM 0 HB THR A 146 2.739 -0.691 -12.742 1.00 0.00 H new ATOM 0 HG1 THR A 146 0.624 -0.050 -10.999 1.00 0.00 H new ATOM 0 HG21 THR A 146 1.937 -2.241 -10.983 1.00 0.00 H new ATOM 0 HG22 THR A 146 3.603 -1.709 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.246 -0.999 -9.747 1.00 0.00 H new ATOM 1100 N ALA A 147 3.171 3.223 -12.046 1.00 0.00 N ATOM 1101 CA ALA A 147 3.084 4.345 -12.970 1.00 0.00 C ATOM 1102 C ALA A 147 3.397 5.644 -12.240 1.00 0.00 C ATOM 1103 O ALA A 147 3.981 5.629 -11.155 1.00 0.00 O ATOM 1104 CB ALA A 147 1.683 4.421 -13.575 1.00 0.00 C ATOM 0 H ALA A 147 3.200 3.489 -11.062 1.00 0.00 H new ATOM 0 HA ALA A 147 3.810 4.198 -13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 147 1.630 5.264 -14.264 1.00 0.00 H new ATOM 0 HB2 ALA A 147 1.469 3.498 -14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 147 0.950 4.556 -12.780 1.00 0.00 H new ATOM 1110 N LYS A 148 3.008 6.766 -12.836 1.00 0.00 N ATOM 1111 CA LYS A 148 3.251 8.071 -12.226 1.00 0.00 C ATOM 1112 C LYS A 148 4.742 8.280 -11.987 1.00 0.00 C ATOM 1113 O LYS A 148 5.094 9.307 -11.428 1.00 0.00 O ATOM 1114 CB LYS A 148 2.497 8.183 -10.893 1.00 0.00 C ATOM 1115 CG LYS A 148 1.101 8.770 -11.133 1.00 0.00 C ATOM 1116 CD LYS A 148 1.170 10.302 -11.120 1.00 0.00 C ATOM 1117 CE LYS A 148 -0.234 10.876 -11.313 1.00 0.00 C ATOM 1118 NZ LYS A 148 -0.169 12.365 -11.290 1.00 0.00 N ATOM 1119 OXT LYS A 148 5.510 7.413 -12.367 1.00 0.00 O ATOM 0 H LYS A 148 2.526 6.800 -13.734 1.00 0.00 H new ATOM 0 HA LYS A 148 2.890 8.840 -12.909 1.00 0.00 H new ATOM 0 HB2 LYS A 148 2.413 7.200 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 148 3.054 8.816 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 148 0.711 8.423 -12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 148 0.413 8.422 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 148 1.590 10.650 -10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 148 1.831 10.654 -11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -0.651 10.534 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.896 10.518 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -1.124 12.756 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 0.212 12.682 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 0.450 12.697 -12.057 1.00 0.00 H new TER 1133 LYS A 148 ATOM 1134 N PHE B 30 -9.397 -4.445 12.397 1.00 0.00 N ATOM 1135 CA PHE B 30 -8.810 -4.848 11.089 1.00 0.00 C ATOM 1136 C PHE B 30 -9.008 -6.345 10.888 1.00 0.00 C ATOM 1137 O PHE B 30 -9.098 -6.823 9.758 1.00 0.00 O ATOM 1138 CB PHE B 30 -7.314 -4.515 11.079 1.00 0.00 C ATOM 1139 CG PHE B 30 -7.032 -3.460 12.122 1.00 0.00 C ATOM 1140 CD1 PHE B 30 -7.615 -2.192 12.006 1.00 0.00 C ATOM 1141 CD2 PHE B 30 -6.188 -3.745 13.203 1.00 0.00 C ATOM 1142 CE1 PHE B 30 -7.355 -1.209 12.969 1.00 0.00 C ATOM 1143 CE2 PHE B 30 -5.927 -2.762 14.166 1.00 0.00 C ATOM 1144 CZ PHE B 30 -6.511 -1.495 14.048 1.00 0.00 C ATOM 0 HA PHE B 30 -9.304 -4.308 10.281 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -6.729 -5.411 11.284 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.016 -4.158 10.093 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -8.266 -1.972 11.173 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -5.738 -4.723 13.294 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -7.805 -0.231 12.879 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -5.276 -2.981 14.999 1.00 0.00 H new ATOM 0 HZ PHE B 30 -6.310 -0.737 14.791 1.00 0.00 H new ATOM 1154 N ASP B 31 -9.067 -7.083 11.994 1.00 0.00 N ATOM 1155 CA ASP B 31 -9.240 -8.531 11.927 1.00 0.00 C ATOM 1156 C ASP B 31 -8.108 -9.148 11.113 1.00 0.00 C ATOM 1157 O ASP B 31 -8.327 -10.033 10.285 1.00 0.00 O ATOM 1158 CB ASP B 31 -10.586 -8.869 11.282 1.00 0.00 C ATOM 1159 CG ASP B 31 -10.893 -10.351 11.461 1.00 0.00 C ATOM 1160 OD1 ASP B 31 -9.992 -11.082 11.839 1.00 0.00 O ATOM 1161 OD2 ASP B 31 -12.026 -10.735 11.216 1.00 0.00 O ATOM 0 H ASP B 31 -8.998 -6.706 12.939 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.219 -8.938 12.938 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -11.376 -8.269 11.734 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -10.563 -8.620 10.221 1.00 0.00 H new ATOM 1166 N ILE B 32 -6.899 -8.658 11.359 1.00 0.00 N ATOM 1167 CA ILE B 32 -5.711 -9.135 10.659 1.00 0.00 C ATOM 1168 C ILE B 32 -4.653 -9.623 11.645 1.00 0.00 C ATOM 1169 O ILE B 32 -4.307 -8.922 12.597 1.00 0.00 O ATOM 1170 CB ILE B 32 -5.146 -8.002 9.804 1.00 0.00 C ATOM 1171 CG1 ILE B 32 -6.078 -7.740 8.624 1.00 0.00 C ATOM 1172 CG2 ILE B 32 -3.762 -8.370 9.286 1.00 0.00 C ATOM 1173 CD1 ILE B 32 -5.718 -6.399 7.991 1.00 0.00 C ATOM 0 H ILE B 32 -6.714 -7.925 12.043 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.990 -9.975 10.024 1.00 0.00 H new ATOM 0 HB ILE B 32 -5.067 -7.104 10.417 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.987 -8.539 7.889 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -7.115 -7.731 8.959 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -3.372 -7.553 8.678 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.093 -8.547 10.128 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -3.829 -9.273 8.680 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -6.380 -6.206 7.147 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -5.831 -5.606 8.730 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.685 -6.426 7.643 1.00 0.00 H new ATOM 1185 N ASP B 33 -4.142 -10.827 11.408 1.00 0.00 N ATOM 1186 CA ASP B 33 -3.123 -11.398 12.280 1.00 0.00 C ATOM 1187 C ASP B 33 -1.778 -10.707 12.065 1.00 0.00 C ATOM 1188 O ASP B 33 -1.134 -10.884 11.032 1.00 0.00 O ATOM 1189 CB ASP B 33 -2.982 -12.897 12.010 1.00 0.00 C ATOM 1190 CG ASP B 33 -2.642 -13.138 10.542 1.00 0.00 C ATOM 1191 OD1 ASP B 33 -2.649 -12.180 9.786 1.00 0.00 O ATOM 1192 OD2 ASP B 33 -2.389 -14.279 10.193 1.00 0.00 O ATOM 0 H ASP B 33 -4.414 -11.422 10.626 1.00 0.00 H new ATOM 0 HA ASP B 33 -3.432 -11.245 13.314 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -2.202 -13.317 12.645 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.910 -13.409 12.265 1.00 0.00 H new ATOM 1197 N MET B 34 -1.364 -9.921 13.051 1.00 0.00 N ATOM 1198 CA MET B 34 -0.096 -9.205 12.965 1.00 0.00 C ATOM 1199 C MET B 34 1.033 -10.037 13.565 1.00 0.00 C ATOM 1200 O MET B 34 2.190 -9.614 13.574 1.00 0.00 O ATOM 1201 CB MET B 34 -0.203 -7.872 13.707 1.00 0.00 C ATOM 1202 CG MET B 34 -1.271 -7.003 13.041 1.00 0.00 C ATOM 1203 SD MET B 34 -1.438 -5.448 13.949 1.00 0.00 S ATOM 1204 CE MET B 34 -2.764 -4.743 12.940 1.00 0.00 C ATOM 0 H MET B 34 -1.883 -9.763 13.915 1.00 0.00 H new ATOM 0 HA MET B 34 0.127 -9.020 11.914 1.00 0.00 H new ATOM 0 HB2 MET B 34 -0.459 -8.045 14.752 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.758 -7.359 13.695 1.00 0.00 H new ATOM 0 HG2 MET B 34 -0.998 -6.804 12.005 1.00 0.00 H new ATOM 0 HG3 MET B 34 -2.225 -7.530 13.024 1.00 0.00 H new ATOM 0 HE1 MET B 34 -3.518 -4.298 13.589 1.00 0.00 H new ATOM 0 HE2 MET B 34 -2.353 -3.976 12.283 1.00 0.00 H new ATOM 0 HE3 MET B 34 -3.221 -5.529 12.339 1.00 0.00 H new ATOM 1214 N ASP B 35 0.690 -11.216 14.072 1.00 0.00 N ATOM 1215 CA ASP B 35 1.683 -12.093 14.680 1.00 0.00 C ATOM 1216 C ASP B 35 2.407 -12.921 13.621 1.00 0.00 C ATOM 1217 O ASP B 35 3.268 -13.738 13.948 1.00 0.00 O ATOM 1218 CB ASP B 35 1.007 -13.025 15.688 1.00 0.00 C ATOM 1219 CG ASP B 35 0.060 -13.978 14.966 1.00 0.00 C ATOM 1220 OD1 ASP B 35 -0.023 -13.894 13.752 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -0.571 -14.777 15.639 1.00 0.00 O ATOM 0 H ASP B 35 -0.261 -11.584 14.074 1.00 0.00 H new ATOM 0 HA ASP B 35 2.417 -11.471 15.192 1.00 0.00 H new ATOM 0 HB2 ASP B 35 1.761 -13.593 16.233 1.00 0.00 H new ATOM 0 HB3 ASP B 35 0.455 -12.440 16.424 1.00 0.00 H new ATOM 1226 N ALA B 36 2.059 -12.703 12.354 1.00 0.00 N ATOM 1227 CA ALA B 36 2.695 -13.439 11.263 1.00 0.00 C ATOM 1228 C ALA B 36 3.699 -12.540 10.532 1.00 0.00 C ATOM 1229 O ALA B 36 3.465 -11.340 10.390 1.00 0.00 O ATOM 1230 CB ALA B 36 1.632 -13.925 10.276 1.00 0.00 C ATOM 0 H ALA B 36 1.350 -12.032 12.060 1.00 0.00 H new ATOM 0 HA ALA B 36 3.223 -14.297 11.680 1.00 0.00 H new ATOM 0 HB1 ALA B 36 2.112 -14.473 9.465 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.930 -14.581 10.791 1.00 0.00 H new ATOM 0 HB3 ALA B 36 1.096 -13.068 9.868 1.00 0.00 H new ATOM 1236 N PRO B 37 4.805 -13.080 10.068 1.00 0.00 N ATOM 1237 CA PRO B 37 5.840 -12.284 9.348 1.00 0.00 C ATOM 1238 C PRO B 37 5.381 -11.822 7.969 1.00 0.00 C ATOM 1239 O PRO B 37 5.843 -10.800 7.461 1.00 0.00 O ATOM 1240 CB PRO B 37 7.022 -13.241 9.231 1.00 0.00 C ATOM 1241 CG PRO B 37 6.415 -14.591 9.262 1.00 0.00 C ATOM 1242 CD PRO B 37 5.196 -14.493 10.172 1.00 0.00 C ATOM 0 HA PRO B 37 6.076 -11.364 9.882 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.575 -13.076 8.306 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.726 -13.104 10.052 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.127 -14.911 8.260 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.124 -15.327 9.640 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.396 -15.156 9.844 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.438 -14.768 11.199 1.00 0.00 H new ATOM 1250 N GLU B 38 4.480 -12.586 7.359 1.00 0.00 N ATOM 1251 CA GLU B 38 3.984 -12.244 6.031 1.00 0.00 C ATOM 1252 C GLU B 38 3.241 -10.912 6.046 1.00 0.00 C ATOM 1253 O GLU B 38 3.402 -10.096 5.138 1.00 0.00 O ATOM 1254 CB GLU B 38 3.047 -13.343 5.527 1.00 0.00 C ATOM 1255 CG GLU B 38 3.858 -14.603 5.216 1.00 0.00 C ATOM 1256 CD GLU B 38 2.920 -15.756 4.878 1.00 0.00 C ATOM 1257 OE1 GLU B 38 1.731 -15.616 5.113 1.00 0.00 O ATOM 1258 OE2 GLU B 38 3.405 -16.764 4.389 1.00 0.00 O ATOM 0 H GLU B 38 4.082 -13.436 7.758 1.00 0.00 H new ATOM 0 HA GLU B 38 4.841 -12.154 5.364 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.289 -13.562 6.279 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.522 -13.006 4.633 1.00 0.00 H new ATOM 0 HG2 GLU B 38 4.532 -14.415 4.380 1.00 0.00 H new ATOM 0 HG3 GLU B 38 4.478 -14.867 6.073 1.00 0.00 H new ATOM 1265 N THR B 39 2.430 -10.696 7.074 1.00 0.00 N ATOM 1266 CA THR B 39 1.674 -9.453 7.178 1.00 0.00 C ATOM 1267 C THR B 39 2.618 -8.264 7.328 1.00 0.00 C ATOM 1268 O THR B 39 2.456 -7.242 6.661 1.00 0.00 O ATOM 1269 CB THR B 39 0.726 -9.513 8.379 1.00 0.00 C ATOM 1270 OG1 THR B 39 -0.176 -10.598 8.211 1.00 0.00 O ATOM 1271 CG2 THR B 39 -0.065 -8.207 8.477 1.00 0.00 C ATOM 0 H THR B 39 2.279 -11.355 7.838 1.00 0.00 H new ATOM 0 HA THR B 39 1.091 -9.327 6.265 1.00 0.00 H new ATOM 0 HB THR B 39 1.306 -9.654 9.291 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.584 -10.821 9.074 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.739 -8.253 9.333 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.625 -7.372 8.603 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.645 -8.064 7.566 1.00 0.00 H new ATOM 1279 N GLU B 40 3.603 -8.408 8.208 1.00 0.00 N ATOM 1280 CA GLU B 40 4.570 -7.341 8.440 1.00 0.00 C ATOM 1281 C GLU B 40 5.372 -7.065 7.173 1.00 0.00 C ATOM 1282 O GLU B 40 5.614 -5.912 6.819 1.00 0.00 O ATOM 1283 CB GLU B 40 5.515 -7.735 9.577 1.00 0.00 C ATOM 1284 CG GLU B 40 6.489 -6.588 9.861 1.00 0.00 C ATOM 1285 CD GLU B 40 7.386 -6.944 11.042 1.00 0.00 C ATOM 1286 OE1 GLU B 40 7.225 -8.029 11.577 1.00 0.00 O ATOM 1287 OE2 GLU B 40 8.220 -6.127 11.394 1.00 0.00 O ATOM 0 H GLU B 40 3.753 -9.247 8.769 1.00 0.00 H new ATOM 0 HA GLU B 40 4.031 -6.435 8.717 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.942 -7.969 10.474 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.067 -8.635 9.308 1.00 0.00 H new ATOM 0 HG2 GLU B 40 7.097 -6.390 8.979 1.00 0.00 H new ATOM 0 HG3 GLU B 40 5.935 -5.675 10.077 1.00 0.00 H new ATOM 1294 N ARG B 41 5.783 -8.132 6.497 1.00 0.00 N ATOM 1295 CA ARG B 41 6.561 -7.994 5.271 1.00 0.00 C ATOM 1296 C ARG B 41 5.743 -7.282 4.200 1.00 0.00 C ATOM 1297 O ARG B 41 6.266 -6.448 3.460 1.00 0.00 O ATOM 1298 CB ARG B 41 6.977 -9.380 4.762 1.00 0.00 C ATOM 1299 CG ARG B 41 8.036 -9.996 5.689 1.00 0.00 C ATOM 1300 CD ARG B 41 9.434 -9.484 5.320 1.00 0.00 C ATOM 1301 NE ARG B 41 9.766 -9.866 3.952 1.00 0.00 N ATOM 1302 CZ ARG B 41 10.248 -11.074 3.673 1.00 0.00 C ATOM 1303 NH1 ARG B 41 10.428 -11.941 4.631 1.00 0.00 N ATOM 1304 NH2 ARG B 41 10.538 -11.393 2.442 1.00 0.00 N ATOM 0 H ARG B 41 5.593 -9.095 6.774 1.00 0.00 H new ATOM 0 HA ARG B 41 7.451 -7.403 5.487 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.105 -10.032 4.711 1.00 0.00 H new ATOM 0 HB3 ARG B 41 7.374 -9.299 3.750 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.812 -9.744 6.726 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.008 -11.083 5.612 1.00 0.00 H new ATOM 0 HD2 ARG B 41 9.470 -8.399 5.421 1.00 0.00 H new ATOM 0 HD3 ARG B 41 10.173 -9.893 6.009 1.00 0.00 H new ATOM 0 HE ARG B 41 9.626 -9.195 3.196 1.00 0.00 H new ATOM 0 HH11 ARG B 41 10.199 -11.692 5.593 1.00 0.00 H new ATOM 0 HH12 ARG B 41 10.798 -12.867 4.418 1.00 0.00 H new ATOM 0 HH21 ARG B 41 10.395 -10.716 1.693 1.00 0.00 H new ATOM 0 HH22 ARG B 41 10.908 -12.319 2.229 1.00 0.00 H new ATOM 1318 N ALA B 42 4.458 -7.615 4.120 1.00 0.00 N ATOM 1319 CA ALA B 42 3.584 -6.995 3.132 1.00 0.00 C ATOM 1320 C ALA B 42 3.499 -5.491 3.364 1.00 0.00 C ATOM 1321 O ALA B 42 3.529 -4.705 2.417 1.00 0.00 O ATOM 1322 CB ALA B 42 2.184 -7.605 3.217 1.00 0.00 C ATOM 0 H ALA B 42 4.004 -8.303 4.721 1.00 0.00 H new ATOM 0 HA ALA B 42 4.000 -7.177 2.141 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.537 -7.136 2.475 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.241 -8.676 3.023 1.00 0.00 H new ATOM 0 HB3 ALA B 42 1.774 -7.438 4.213 1.00 0.00 H new ATOM 1328 N ALA B 43 3.399 -5.097 4.629 1.00 0.00 N ATOM 1329 CA ALA B 43 3.315 -3.683 4.972 1.00 0.00 C ATOM 1330 C ALA B 43 4.582 -2.953 4.537 1.00 0.00 C ATOM 1331 O ALA B 43 4.523 -1.839 4.022 1.00 0.00 O ATOM 1332 CB ALA B 43 3.128 -3.522 6.485 1.00 0.00 C ATOM 0 H ALA B 43 3.374 -5.731 5.427 1.00 0.00 H new ATOM 0 HA ALA B 43 2.460 -3.252 4.451 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.066 -2.462 6.733 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.209 -4.021 6.793 1.00 0.00 H new ATOM 0 HB3 ALA B 43 3.975 -3.968 7.006 1.00 0.00 H new ATOM 1338 N VAL B 44 5.724 -3.592 4.756 1.00 0.00 N ATOM 1339 CA VAL B 44 7.009 -3.001 4.396 1.00 0.00 C ATOM 1340 C VAL B 44 7.123 -2.776 2.890 1.00 0.00 C ATOM 1341 O VAL B 44 7.599 -1.731 2.447 1.00 0.00 O ATOM 1342 CB VAL B 44 8.148 -3.908 4.862 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.472 -3.404 4.284 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.222 -3.887 6.390 1.00 0.00 C ATOM 0 H VAL B 44 5.788 -4.517 5.180 1.00 0.00 H new ATOM 0 HA VAL B 44 7.078 -2.032 4.891 1.00 0.00 H new ATOM 0 HB VAL B 44 7.965 -4.926 4.518 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.284 -4.051 4.616 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.422 -3.415 3.195 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.655 -2.386 4.628 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.034 -4.533 6.724 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.405 -2.868 6.731 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.280 -4.244 6.805 1.00 0.00 H new ATOM 1354 N ALA B 45 6.705 -3.765 2.105 1.00 0.00 N ATOM 1355 CA ALA B 45 6.796 -3.654 0.653 1.00 0.00 C ATOM 1356 C ALA B 45 5.985 -2.470 0.136 1.00 0.00 C ATOM 1357 O ALA B 45 6.461 -1.708 -0.706 1.00 0.00 O ATOM 1358 CB ALA B 45 6.288 -4.942 0.002 1.00 0.00 C ATOM 0 H ALA B 45 6.305 -4.640 2.444 1.00 0.00 H new ATOM 0 HA ALA B 45 7.842 -3.494 0.392 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.358 -4.854 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.895 -5.783 0.338 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.249 -5.108 0.286 1.00 0.00 H new ATOM 1364 N ILE B 46 4.766 -2.314 0.638 1.00 0.00 N ATOM 1365 CA ILE B 46 3.919 -1.208 0.207 1.00 0.00 C ATOM 1366 C ILE B 46 4.528 0.130 0.607 1.00 0.00 C ATOM 1367 O ILE B 46 4.598 1.059 -0.197 1.00 0.00 O ATOM 1368 CB ILE B 46 2.531 -1.337 0.830 1.00 0.00 C ATOM 1369 CG1 ILE B 46 1.823 -2.560 0.243 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.716 -0.080 0.521 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.565 -2.863 1.057 1.00 0.00 C ATOM 0 H ILE B 46 4.346 -2.930 1.334 1.00 0.00 H new ATOM 0 HA ILE B 46 3.839 -1.248 -0.879 1.00 0.00 H new ATOM 0 HB ILE B 46 2.625 -1.453 1.910 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.559 -2.375 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.492 -3.421 0.254 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.725 -0.171 0.965 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.221 0.792 0.936 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.621 0.035 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.062 -3.734 0.638 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.841 -3.066 2.092 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -0.106 -2.005 1.023 1.00 0.00 H new ATOM 1383 N GLN B 47 4.958 0.220 1.862 1.00 0.00 N ATOM 1384 CA GLN B 47 5.550 1.450 2.371 1.00 0.00 C ATOM 1385 C GLN B 47 6.855 1.766 1.650 1.00 0.00 C ATOM 1386 O GLN B 47 7.135 2.922 1.331 1.00 0.00 O ATOM 1387 CB GLN B 47 5.836 1.316 3.863 1.00 0.00 C ATOM 1388 CG GLN B 47 4.524 1.266 4.647 1.00 0.00 C ATOM 1389 CD GLN B 47 4.840 1.189 6.132 1.00 0.00 C ATOM 1390 OE1 GLN B 47 6.086 1.251 6.518 1.00 0.00 O flip ATOM 1391 NE2 GLN B 47 3.936 1.080 6.961 1.00 0.00 N flip ATOM 0 H GLN B 47 4.908 -0.540 2.541 1.00 0.00 H new ATOM 0 HA GLN B 47 4.839 2.258 2.197 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.415 0.412 4.050 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.440 2.158 4.203 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.924 2.151 4.435 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.935 0.401 4.342 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.965 1.032 6.653 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.158 1.038 7.956 1.00 0.00 H new ATOM 1400 N SER B 48 7.656 0.734 1.403 1.00 0.00 N ATOM 1401 CA SER B 48 8.933 0.926 0.729 1.00 0.00 C ATOM 1402 C SER B 48 8.711 1.510 -0.657 1.00 0.00 C ATOM 1403 O SER B 48 9.380 2.464 -1.055 1.00 0.00 O ATOM 1404 CB SER B 48 9.671 -0.408 0.612 1.00 0.00 C ATOM 1405 OG SER B 48 10.910 -0.201 -0.054 1.00 0.00 O ATOM 0 H SER B 48 7.446 -0.232 1.656 1.00 0.00 H new ATOM 0 HA SER B 48 9.536 1.619 1.316 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.843 -0.830 1.602 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.064 -1.126 0.061 1.00 0.00 H new ATOM 0 HG SER B 48 11.387 -1.054 -0.130 1.00 0.00 H new ATOM 1411 N GLN B 49 7.760 0.940 -1.385 1.00 0.00 N ATOM 1412 CA GLN B 49 7.452 1.424 -2.720 1.00 0.00 C ATOM 1413 C GLN B 49 6.865 2.832 -2.628 1.00 0.00 C ATOM 1414 O GLN B 49 7.142 3.690 -3.463 1.00 0.00 O ATOM 1415 CB GLN B 49 6.461 0.487 -3.414 1.00 0.00 C ATOM 1416 CG GLN B 49 6.353 0.856 -4.897 1.00 0.00 C ATOM 1417 CD GLN B 49 7.679 0.604 -5.608 1.00 0.00 C ATOM 1418 OE1 GLN B 49 8.218 -0.500 -5.546 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.239 1.571 -6.285 1.00 0.00 N ATOM 0 H GLN B 49 7.194 0.150 -1.076 1.00 0.00 H new ATOM 0 HA GLN B 49 8.369 1.451 -3.308 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.789 -0.547 -3.310 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.483 0.560 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.564 0.269 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.073 1.905 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN B 49 7.790 2.485 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.125 1.412 -6.764 1.00 0.00 H new ATOM 1428 N PHE B 50 6.049 3.056 -1.600 1.00 0.00 N ATOM 1429 CA PHE B 50 5.427 4.361 -1.394 1.00 0.00 C ATOM 1430 C PHE B 50 6.486 5.444 -1.219 1.00 0.00 C ATOM 1431 O PHE B 50 6.363 6.535 -1.766 1.00 0.00 O ATOM 1432 CB PHE B 50 4.494 4.335 -0.175 1.00 0.00 C ATOM 1433 CG PHE B 50 3.931 5.723 0.056 1.00 0.00 C ATOM 1434 CD1 PHE B 50 3.156 6.342 -0.936 1.00 0.00 C ATOM 1435 CD2 PHE B 50 4.192 6.396 1.260 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.649 7.631 -0.728 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.678 7.684 1.466 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.912 8.301 0.472 1.00 0.00 C ATOM 0 H PHE B 50 5.804 2.355 -0.901 1.00 0.00 H new ATOM 0 HA PHE B 50 4.835 4.592 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.684 3.624 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE B 50 5.039 4.000 0.707 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.950 5.824 -1.861 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.788 5.922 2.026 1.00 0.00 H new ATOM 0 HE1 PHE B 50 2.055 8.108 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.874 8.201 2.394 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.523 9.296 0.631 1.00 0.00 H new ATOM 1448 N ARG B 51 7.521 5.146 -0.449 1.00 0.00 N ATOM 1449 CA ARG B 51 8.579 6.123 -0.221 1.00 0.00 C ATOM 1450 C ARG B 51 9.182 6.562 -1.555 1.00 0.00 C ATOM 1451 O ARG B 51 9.474 7.740 -1.757 1.00 0.00 O ATOM 1452 CB ARG B 51 9.668 5.517 0.667 1.00 0.00 C ATOM 1453 CG ARG B 51 10.741 6.568 0.949 1.00 0.00 C ATOM 1454 CD ARG B 51 11.753 6.006 1.947 1.00 0.00 C ATOM 1455 NE ARG B 51 11.120 5.789 3.243 1.00 0.00 N ATOM 1456 CZ ARG B 51 11.782 5.220 4.245 1.00 0.00 C ATOM 1457 NH1 ARG B 51 13.020 4.843 4.078 1.00 0.00 N ATOM 1458 NH2 ARG B 51 11.193 5.035 5.396 1.00 0.00 N ATOM 0 H ARG B 51 7.652 4.251 0.023 1.00 0.00 H new ATOM 0 HA ARG B 51 8.154 6.993 0.280 1.00 0.00 H new ATOM 0 HB2 ARG B 51 9.234 5.165 1.603 1.00 0.00 H new ATOM 0 HB3 ARG B 51 10.112 4.651 0.176 1.00 0.00 H new ATOM 0 HG2 ARG B 51 11.244 6.848 0.023 1.00 0.00 H new ATOM 0 HG3 ARG B 51 10.283 7.473 1.349 1.00 0.00 H new ATOM 0 HD2 ARG B 51 12.161 5.067 1.572 1.00 0.00 H new ATOM 0 HD3 ARG B 51 12.590 6.696 2.054 1.00 0.00 H new ATOM 0 HE ARG B 51 10.152 6.079 3.383 1.00 0.00 H new ATOM 0 HH11 ARG B 51 13.479 4.985 3.178 1.00 0.00 H new ATOM 0 HH12 ARG B 51 13.528 4.406 4.847 1.00 0.00 H new ATOM 0 HH21 ARG B 51 10.224 5.327 5.526 1.00 0.00 H new ATOM 0 HH22 ARG B 51 11.702 4.598 6.165 1.00 0.00 H new ATOM 1472 N LYS B 52 9.355 5.608 -2.463 1.00 0.00 N ATOM 1473 CA LYS B 52 9.911 5.907 -3.781 1.00 0.00 C ATOM 1474 C LYS B 52 8.996 6.876 -4.531 1.00 0.00 C ATOM 1475 O LYS B 52 9.465 7.745 -5.266 1.00 0.00 O ATOM 1476 CB LYS B 52 10.070 4.617 -4.596 1.00 0.00 C ATOM 1477 CG LYS B 52 11.180 3.741 -3.997 1.00 0.00 C ATOM 1478 CD LYS B 52 12.552 4.191 -4.515 1.00 0.00 C ATOM 1479 CE LYS B 52 13.627 3.231 -4.002 1.00 0.00 C ATOM 1480 NZ LYS B 52 14.960 3.657 -4.518 1.00 0.00 N ATOM 0 H LYS B 52 9.121 4.627 -2.314 1.00 0.00 H new ATOM 0 HA LYS B 52 10.890 6.368 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS B 52 9.129 4.067 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS B 52 10.308 4.860 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS B 52 11.156 3.805 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS B 52 11.010 2.697 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS B 52 12.554 4.208 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS B 52 12.765 5.206 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS B 52 13.633 3.223 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS B 52 13.407 2.214 -4.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 15.692 3.005 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 14.950 3.643 -5.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 15.169 4.620 -4.187 1.00 0.00 H new ATOM 1494 N PHE B 53 7.689 6.712 -4.344 1.00 0.00 N ATOM 1495 CA PHE B 53 6.710 7.569 -5.010 1.00 0.00 C ATOM 1496 C PHE B 53 6.960 9.033 -4.658 1.00 0.00 C ATOM 1497 O PHE B 53 6.884 9.910 -5.518 1.00 0.00 O ATOM 1498 CB PHE B 53 5.293 7.181 -4.574 1.00 0.00 C ATOM 1499 CG PHE B 53 4.273 7.957 -5.372 1.00 0.00 C ATOM 1500 CD1 PHE B 53 3.862 9.224 -4.937 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.732 7.408 -6.540 1.00 0.00 C ATOM 1502 CE1 PHE B 53 2.911 9.942 -5.672 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.780 8.126 -7.274 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.370 9.392 -6.841 1.00 0.00 C ATOM 0 H PHE B 53 7.284 5.997 -3.740 1.00 0.00 H new ATOM 0 HA PHE B 53 6.811 7.436 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.140 6.111 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.164 7.382 -3.511 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.279 9.647 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE B 53 4.049 6.431 -6.875 1.00 0.00 H new ATOM 0 HE1 PHE B 53 2.595 10.919 -5.338 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.362 7.702 -8.175 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.636 9.945 -7.408 1.00 0.00 H new ATOM 1514 N GLN B 54 7.251 9.291 -3.386 1.00 0.00 N ATOM 1515 CA GLN B 54 7.502 10.655 -2.932 1.00 0.00 C ATOM 1516 C GLN B 54 8.710 11.249 -3.653 1.00 0.00 C ATOM 1517 O GLN B 54 8.704 12.422 -4.024 1.00 0.00 O ATOM 1518 CB GLN B 54 7.759 10.664 -1.424 1.00 0.00 C ATOM 1519 CG GLN B 54 6.463 10.335 -0.680 1.00 0.00 C ATOM 1520 CD GLN B 54 6.716 10.315 0.823 1.00 0.00 C ATOM 1521 OE1 GLN B 54 6.007 11.083 1.605 1.00 0.00 O flip ATOM 1522 NE2 GLN B 54 7.584 9.582 1.298 1.00 0.00 N flip ATOM 0 H GLN B 54 7.318 8.580 -2.657 1.00 0.00 H new ATOM 0 HA GLN B 54 6.623 11.258 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN B 54 8.530 9.936 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN B 54 8.130 11.641 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN B 54 5.699 11.075 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN B 54 6.082 9.367 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.137 8.983 0.685 1.00 0.00 H new ATOM 0 HE22 GLN B 54 7.750 9.574 2.304 1.00 0.00 H new ATOM 1531 N LYS B 55 9.742 10.434 -3.850 1.00 0.00 N ATOM 1532 CA LYS B 55 10.945 10.899 -4.531 1.00 0.00 C ATOM 1533 C LYS B 55 10.623 11.327 -5.959 1.00 0.00 C ATOM 1534 O LYS B 55 11.156 12.321 -6.453 1.00 0.00 O ATOM 1535 CB LYS B 55 12.000 9.792 -4.557 1.00 0.00 C ATOM 1536 CG LYS B 55 12.555 9.576 -3.148 1.00 0.00 C ATOM 1537 CD LYS B 55 13.622 8.479 -3.183 1.00 0.00 C ATOM 1538 CE LYS B 55 14.254 8.334 -1.798 1.00 0.00 C ATOM 1539 NZ LYS B 55 13.214 7.912 -0.820 1.00 0.00 N ATOM 0 H LYS B 55 9.770 9.459 -3.551 1.00 0.00 H new ATOM 0 HA LYS B 55 11.335 11.757 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.561 8.867 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.807 10.061 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.984 10.503 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.751 9.295 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS B 55 13.176 7.533 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.387 8.725 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS B 55 15.059 7.600 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.698 9.280 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 13.673 7.538 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 12.623 8.730 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 12.618 7.173 -1.244 1.00 0.00 H new ATOM 1553 N LYS B 56 9.752 10.572 -6.618 1.00 0.00 N ATOM 1554 CA LYS B 56 9.373 10.886 -7.991 1.00 0.00 C ATOM 1555 C LYS B 56 8.701 12.256 -8.057 1.00 0.00 C ATOM 1556 O LYS B 56 8.951 13.035 -8.977 1.00 0.00 O ATOM 1557 CB LYS B 56 8.432 9.808 -8.530 1.00 0.00 C ATOM 1558 CG LYS B 56 9.229 8.514 -8.743 1.00 0.00 C ATOM 1559 CD LYS B 56 8.286 7.342 -9.043 1.00 0.00 C ATOM 1560 CE LYS B 56 7.678 7.489 -10.440 1.00 0.00 C ATOM 1561 NZ LYS B 56 6.919 6.253 -10.780 1.00 0.00 N ATOM 0 H LYS B 56 9.298 9.745 -6.229 1.00 0.00 H new ATOM 0 HA LYS B 56 10.272 10.912 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS B 56 7.615 9.636 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS B 56 7.984 10.134 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS B 56 9.930 8.644 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS B 56 9.820 8.294 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS B 56 8.832 6.401 -8.975 1.00 0.00 H new ATOM 0 HD3 LYS B 56 7.493 7.305 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS B 56 7.017 8.355 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS B 56 8.464 7.660 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 6.230 6.464 -11.530 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 7.579 5.521 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 6.417 5.910 -9.936 1.00 0.00 H new ATOM 1575 N LYS B 57 7.863 12.552 -7.067 1.00 0.00 N ATOM 1576 CA LYS B 57 7.181 13.840 -7.018 1.00 0.00 C ATOM 1577 C LYS B 57 8.175 14.956 -6.714 1.00 0.00 C ATOM 1578 O LYS B 57 8.061 16.064 -7.237 1.00 0.00 O ATOM 1579 CB LYS B 57 6.088 13.826 -5.945 1.00 0.00 C ATOM 1580 CG LYS B 57 4.708 13.842 -6.608 1.00 0.00 C ATOM 1581 CD LYS B 57 3.625 13.898 -5.528 1.00 0.00 C ATOM 1582 CE LYS B 57 2.247 13.773 -6.177 1.00 0.00 C ATOM 1583 NZ LYS B 57 2.021 14.930 -7.090 1.00 0.00 N ATOM 0 H LYS B 57 7.642 11.923 -6.295 1.00 0.00 H new ATOM 0 HA LYS B 57 6.725 14.021 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS B 57 6.191 12.939 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS B 57 6.197 14.691 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS B 57 4.621 14.703 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS B 57 4.578 12.952 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS B 57 3.773 13.093 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS B 57 3.695 14.836 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS B 57 2.179 12.838 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS B 57 1.473 13.745 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 1.009 14.999 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 2.331 15.806 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 2.565 14.793 -7.965 1.00 0.00 H new ATOM 1597 N ALA B 58 9.148 14.652 -5.862 1.00 0.00 N ATOM 1598 CA ALA B 58 10.161 15.631 -5.487 1.00 0.00 C ATOM 1599 C ALA B 58 11.206 15.771 -6.588 1.00 0.00 C ATOM 1600 O ALA B 58 12.136 16.570 -6.477 1.00 0.00 O ATOM 1601 CB ALA B 58 10.842 15.205 -4.184 1.00 0.00 C ATOM 0 H ALA B 58 9.256 13.739 -5.420 1.00 0.00 H new ATOM 0 HA ALA B 58 9.672 16.594 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA B 58 11.598 15.942 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA B 58 10.098 15.136 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA B 58 11.316 14.233 -4.322 1.00 0.00 H new ATOM 1607 N GLY B 59 11.046 14.989 -7.650 1.00 0.00 N ATOM 1608 CA GLY B 59 11.983 15.033 -8.766 1.00 0.00 C ATOM 1609 C GLY B 59 11.735 16.261 -9.634 1.00 0.00 C ATOM 1610 O GLY B 59 10.876 17.087 -9.325 1.00 0.00 O ATOM 0 H GLY B 59 10.282 14.322 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY B 59 13.005 15.050 -8.388 1.00 0.00 H new ATOM 0 HA3 GLY B 59 11.881 14.130 -9.368 1.00 0.00 H new ATOM 1614 N SER B 60 12.497 16.382 -10.715 1.00 0.00 N ATOM 1615 CA SER B 60 12.354 17.522 -11.613 1.00 0.00 C ATOM 1616 C SER B 60 12.540 17.092 -13.065 1.00 0.00 C ATOM 1617 O SER B 60 13.085 16.024 -13.342 1.00 0.00 O ATOM 1618 CB SER B 60 13.387 18.594 -11.262 1.00 0.00 C ATOM 1619 OG SER B 60 14.692 18.084 -11.500 1.00 0.00 O ATOM 0 H SER B 60 13.214 15.711 -10.990 1.00 0.00 H new ATOM 0 HA SER B 60 11.350 17.929 -11.494 1.00 0.00 H new ATOM 0 HB2 SER B 60 13.218 19.488 -11.862 1.00 0.00 H new ATOM 0 HB3 SER B 60 13.283 18.887 -10.217 1.00 0.00 H new ATOM 0 HG SER B 60 14.894 18.136 -12.458 1.00 0.00 H new ATOM 1625 N GLN B 61 12.077 17.932 -13.985 1.00 0.00 N ATOM 1626 CA GLN B 61 12.188 17.632 -15.408 1.00 0.00 C ATOM 1627 C GLN B 61 13.652 17.534 -15.825 1.00 0.00 C ATOM 1628 O GLN B 61 14.024 16.671 -16.620 1.00 0.00 O ATOM 1629 CB GLN B 61 11.495 18.725 -16.222 1.00 0.00 C ATOM 1630 CG GLN B 61 9.982 18.633 -16.018 1.00 0.00 C ATOM 1631 CD GLN B 61 9.296 19.840 -16.647 1.00 0.00 C ATOM 1632 OE1 GLN B 61 9.890 20.915 -16.738 1.00 0.00 O ATOM 1633 NE2 GLN B 61 8.073 19.729 -17.087 1.00 0.00 N ATOM 0 H GLN B 61 11.624 18.821 -13.773 1.00 0.00 H new ATOM 0 HA GLN B 61 11.706 16.673 -15.598 1.00 0.00 H new ATOM 0 HB2 GLN B 61 11.855 19.706 -15.913 1.00 0.00 H new ATOM 0 HB3 GLN B 61 11.737 18.615 -17.279 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.602 17.715 -16.465 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.753 18.588 -14.953 1.00 0.00 H new ATOM 0 HE21 GLN B 61 7.583 18.838 -17.011 1.00 0.00 H new ATOM 0 HE22 GLN B 61 7.607 20.533 -17.507 1.00 0.00 H new ATOM 1642 N SER B 62 14.479 18.424 -15.285 1.00 0.00 N ATOM 1643 CA SER B 62 15.900 18.427 -15.611 1.00 0.00 C ATOM 1644 C SER B 62 16.105 18.236 -17.110 1.00 0.00 C ATOM 1645 O SER B 62 15.221 18.615 -17.862 1.00 0.00 O ATOM 1646 CB SER B 62 16.612 17.307 -14.851 1.00 0.00 C ATOM 1647 OG SER B 62 16.391 17.472 -13.457 1.00 0.00 O ATOM 1648 OXT SER B 62 17.141 17.713 -17.484 1.00 0.00 O ATOM 0 H SER B 62 14.192 19.147 -14.625 1.00 0.00 H new ATOM 0 HA SER B 62 16.319 19.389 -15.317 1.00 0.00 H new ATOM 0 HB2 SER B 62 16.239 16.336 -15.178 1.00 0.00 H new ATOM 0 HB3 SER B 62 17.680 17.327 -15.067 1.00 0.00 H new ATOM 0 HG SER B 62 16.845 16.755 -12.967 1.00 0.00 H new TER 1654 SER B 62