USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= -2.08! C(o=-1.8!,f=-1.5!) USER MOD Set 1.2: B 305 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00326 USER MOD Single : A 5 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.75) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 8:sc= 0.554 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 16 THR OG1 : rot 51:sc= -0.592 USER MOD Single : A 17 SER OG : rot 35:sc= 0.171 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.162) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.25) USER MOD Single : A 40 SER OG : rot 81:sc= 1.2 USER MOD Single : A 44 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.011) USER MOD Single : A 45 LYS NZ :NH3+ -101:sc= 1.08 (180deg=-0.115!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -95:sc= -1.05 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 50 MET CE :methyl -169:sc= -0.568 (180deg=-0.938) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0.973) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.152 X(o=0.15,f=-0.3) USER MOD Single : A 60 TYR OH : rot -140:sc= 1.31 USER MOD Single : A 62 MET CE :methyl 160:sc= -0.286 (180deg=-0.877) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.871) USER MOD Single : A 71 GLN : amide:sc= 0.812 K(o=0.81,f=-0.037) USER MOD Single : A 73 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.037) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 20:sc= -3.88! USER MOD Single : A 78 SER OG : rot -37:sc= 0.149 USER MOD Single : A 79 ASN : amide:sc= -0.736 K(o=-0.74,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.0139 (180deg=-0.203) USER MOD Single : A 96 HIS : no HD1:sc= -1.78! K(o=-1.8!,f=-0.8) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.19) USER MOD Single : A 100 TYR OH : rot 54:sc= 0.819 USER MOD Single : A 101 THR OG1 : rot -89:sc= 0.176 USER MOD Single : A 102 MET CE :methyl -178:sc= -5.13! (180deg=-5.23!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.484 K(o=-0.48,f=-3!) USER MOD Single : B 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 308 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : B 311 SER OG : rot 92:sc= 1.27 USER MOD Single : B 312 SER OG : rot 97:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 51.938 10.189 -26.787 1.00 1.00 N ATOM 2 CA ASN A 3 53.086 11.099 -26.856 1.00 64.21 C ATOM 3 C ASN A 3 53.776 11.179 -25.521 1.00 1.42 C ATOM 4 O ASN A 3 54.850 10.620 -25.343 1.00 73.22 O ATOM 5 CB ASN A 3 52.676 12.506 -27.337 1.00 71.21 C ATOM 6 CG ASN A 3 52.152 12.494 -28.744 1.00 24.41 C ATOM 7 OD1 ASN A 3 52.552 11.668 -29.540 1.00 11.41 O ATOM 8 ND2 ASN A 3 51.272 13.399 -29.070 1.00 41.45 N ATOM 0 HA ASN A 3 53.782 10.692 -27.590 1.00 64.21 H new ATOM 0 HB2 ASN A 3 51.913 12.908 -26.670 1.00 71.21 H new ATOM 0 HB3 ASN A 3 53.536 13.174 -27.277 1.00 71.21 H new ATOM 0 HD21 ASN A 3 50.898 13.428 -30.018 1.00 41.45 H new ATOM 0 HD22 ASN A 3 50.958 14.078 -28.377 1.00 41.45 H new ATOM 17 N THR A 4 53.133 11.800 -24.560 1.00 21.23 N ATOM 18 CA THR A 4 53.678 11.999 -23.229 1.00 20.42 C ATOM 19 C THR A 4 53.422 10.731 -22.354 1.00 62.42 C ATOM 20 O THR A 4 53.189 10.817 -21.154 1.00 2.41 O ATOM 21 CB THR A 4 52.949 13.212 -22.617 1.00 43.05 C ATOM 22 OG1 THR A 4 52.747 14.192 -23.647 1.00 52.05 O ATOM 23 CG2 THR A 4 53.779 13.857 -21.521 1.00 0.45 C ATOM 0 H THR A 4 52.198 12.190 -24.679 1.00 21.23 H new ATOM 0 HA THR A 4 54.753 12.171 -23.272 1.00 20.42 H new ATOM 0 HB THR A 4 52.005 12.868 -22.195 1.00 43.05 H new ATOM 0 HG1 THR A 4 52.282 14.969 -23.272 1.00 52.05 H new ATOM 0 HG21 THR A 4 53.238 14.709 -21.109 1.00 0.45 H new ATOM 0 HG22 THR A 4 53.967 13.130 -20.731 1.00 0.45 H new ATOM 0 HG23 THR A 4 54.729 14.196 -21.935 1.00 0.45 H new ATOM 31 N ASN A 5 53.568 9.566 -22.977 1.00 20.55 N ATOM 32 CA ASN A 5 53.288 8.253 -22.372 1.00 31.42 C ATOM 33 C ASN A 5 54.077 8.055 -21.095 1.00 64.24 C ATOM 34 O ASN A 5 55.297 7.918 -21.129 1.00 43.23 O ATOM 35 CB ASN A 5 53.614 7.131 -23.364 1.00 31.43 C ATOM 36 CG ASN A 5 52.775 7.197 -24.626 1.00 2.30 C ATOM 37 OD1 ASN A 5 53.133 7.897 -25.588 1.00 54.43 O ATOM 38 ND2 ASN A 5 51.690 6.476 -24.654 1.00 40.12 N ATOM 0 H ASN A 5 53.892 9.499 -23.942 1.00 20.55 H new ATOM 0 HA ASN A 5 52.227 8.220 -22.125 1.00 31.42 H new ATOM 0 HB2 ASN A 5 54.669 7.185 -23.632 1.00 31.43 H new ATOM 0 HB3 ASN A 5 53.457 6.167 -22.879 1.00 31.43 H new ATOM 0 HD21 ASN A 5 51.101 6.473 -25.487 1.00 40.12 H new ATOM 0 HD22 ASN A 5 51.430 5.914 -23.843 1.00 40.12 H new ATOM 45 N MET A 6 53.365 8.117 -19.962 1.00 50.32 N ATOM 46 CA MET A 6 53.929 7.984 -18.595 1.00 55.35 C ATOM 47 C MET A 6 54.723 9.218 -18.153 1.00 55.10 C ATOM 48 O MET A 6 55.050 9.356 -16.979 1.00 33.22 O ATOM 49 CB MET A 6 54.792 6.718 -18.397 1.00 43.32 C ATOM 50 CG MET A 6 54.049 5.399 -18.486 1.00 31.30 C ATOM 51 SD MET A 6 55.139 3.994 -18.154 1.00 50.44 S ATOM 52 CE MET A 6 53.987 2.631 -18.322 1.00 54.43 C ATOM 0 H MET A 6 52.356 8.264 -19.961 1.00 50.32 H new ATOM 0 HA MET A 6 53.049 7.889 -17.959 1.00 55.35 H new ATOM 0 HB2 MET A 6 55.585 6.719 -19.145 1.00 43.32 H new ATOM 0 HB3 MET A 6 55.275 6.778 -17.421 1.00 43.32 H new ATOM 0 HG2 MET A 6 53.225 5.397 -17.773 1.00 31.30 H new ATOM 0 HG3 MET A 6 53.612 5.294 -19.479 1.00 31.30 H new ATOM 0 HE1 MET A 6 54.508 1.690 -18.146 1.00 54.43 H new ATOM 0 HE2 MET A 6 53.183 2.742 -17.594 1.00 54.43 H new ATOM 0 HE3 MET A 6 53.568 2.631 -19.328 1.00 54.43 H new ATOM 62 N SER A 7 54.991 10.119 -19.070 1.00 73.11 N ATOM 63 CA SER A 7 55.784 11.313 -18.806 1.00 53.24 C ATOM 64 C SER A 7 54.861 12.472 -18.429 1.00 5.33 C ATOM 65 O SER A 7 55.300 13.615 -18.257 1.00 12.05 O ATOM 66 CB SER A 7 56.562 11.665 -20.068 1.00 51.30 C ATOM 67 OG SER A 7 57.201 10.511 -20.597 1.00 14.32 O ATOM 0 H SER A 7 54.664 10.049 -20.034 1.00 73.11 H new ATOM 0 HA SER A 7 56.473 11.129 -17.981 1.00 53.24 H new ATOM 0 HB2 SER A 7 55.887 12.088 -20.812 1.00 51.30 H new ATOM 0 HB3 SER A 7 57.306 12.429 -19.842 1.00 51.30 H new ATOM 0 HG SER A 7 57.695 10.753 -21.408 1.00 14.32 H new ATOM 73 N VAL A 8 53.591 12.152 -18.321 1.00 21.31 N ATOM 74 CA VAL A 8 52.524 13.086 -17.976 1.00 5.42 C ATOM 75 C VAL A 8 52.748 13.743 -16.610 1.00 40.44 C ATOM 76 O VAL A 8 53.569 13.245 -15.811 1.00 42.14 O ATOM 77 CB VAL A 8 51.158 12.352 -17.956 1.00 10.22 C ATOM 78 CG1 VAL A 8 50.788 11.898 -19.339 1.00 74.14 C ATOM 79 CG2 VAL A 8 51.191 11.155 -17.004 1.00 45.33 C ATOM 0 H VAL A 8 53.253 11.202 -18.475 1.00 21.31 H new ATOM 0 HA VAL A 8 52.528 13.866 -18.737 1.00 5.42 H new ATOM 0 HB VAL A 8 50.405 13.054 -17.598 1.00 10.22 H new ATOM 0 HG11 VAL A 8 49.827 11.385 -19.308 1.00 74.14 H new ATOM 0 HG12 VAL A 8 50.717 12.763 -19.999 1.00 74.14 H new ATOM 0 HG13 VAL A 8 51.551 11.217 -19.715 1.00 74.14 H new ATOM 0 HG21 VAL A 8 50.221 10.659 -17.010 1.00 45.33 H new ATOM 0 HG22 VAL A 8 51.959 10.453 -17.328 1.00 45.33 H new ATOM 0 HG23 VAL A 8 51.417 11.499 -15.995 1.00 45.33 H new ATOM 89 N PRO A 9 52.063 14.901 -16.350 1.00 74.40 N ATOM 90 CA PRO A 9 52.068 15.557 -15.043 1.00 52.31 C ATOM 91 C PRO A 9 51.839 14.531 -13.955 1.00 2.24 C ATOM 92 O PRO A 9 50.749 13.940 -13.839 1.00 32.11 O ATOM 93 CB PRO A 9 50.878 16.511 -15.128 1.00 13.22 C ATOM 94 CG PRO A 9 50.817 16.886 -16.563 1.00 22.03 C ATOM 95 CD PRO A 9 51.275 15.676 -17.334 1.00 41.32 C ATOM 0 HA PRO A 9 53.006 16.062 -14.812 1.00 52.31 H new ATOM 0 HB2 PRO A 9 49.956 16.029 -14.802 1.00 13.22 H new ATOM 0 HB3 PRO A 9 51.022 17.385 -14.493 1.00 13.22 H new ATOM 0 HG2 PRO A 9 49.804 17.169 -16.849 1.00 22.03 H new ATOM 0 HG3 PRO A 9 51.457 17.744 -16.769 1.00 22.03 H new ATOM 0 HD2 PRO A 9 50.430 15.100 -17.711 1.00 41.32 H new ATOM 0 HD3 PRO A 9 51.879 15.958 -18.196 1.00 41.32 H new ATOM 103 N THR A 10 52.865 14.267 -13.214 1.00 55.24 N ATOM 104 CA THR A 10 52.831 13.240 -12.254 1.00 33.05 C ATOM 105 C THR A 10 52.297 13.762 -10.931 1.00 33.12 C ATOM 106 O THR A 10 53.045 14.044 -9.982 1.00 40.24 O ATOM 107 CB THR A 10 54.214 12.578 -12.110 1.00 53.43 C ATOM 108 OG1 THR A 10 54.687 12.209 -13.432 1.00 13.43 O ATOM 109 CG2 THR A 10 54.123 11.320 -11.263 1.00 1.43 C ATOM 0 H THR A 10 53.752 14.768 -13.267 1.00 55.24 H new ATOM 0 HA THR A 10 52.144 12.465 -12.593 1.00 33.05 H new ATOM 0 HB THR A 10 54.895 13.280 -11.629 1.00 53.43 H new ATOM 0 HG1 THR A 10 54.083 12.578 -14.110 1.00 13.43 H new ATOM 0 HG21 THR A 10 55.111 10.869 -11.174 1.00 1.43 H new ATOM 0 HG22 THR A 10 53.751 11.575 -10.271 1.00 1.43 H new ATOM 0 HG23 THR A 10 53.442 10.612 -11.735 1.00 1.43 H new ATOM 117 N ASP A 11 51.014 13.991 -10.929 1.00 22.24 N ATOM 118 CA ASP A 11 50.323 14.421 -9.761 1.00 52.52 C ATOM 119 C ASP A 11 49.449 13.319 -9.275 1.00 21.43 C ATOM 120 O ASP A 11 48.372 13.052 -9.825 1.00 1.43 O ATOM 121 CB ASP A 11 49.533 15.721 -9.974 1.00 60.33 C ATOM 122 CG ASP A 11 50.424 16.937 -10.058 1.00 32.54 C ATOM 123 OD1 ASP A 11 50.801 17.489 -8.993 1.00 11.52 O ATOM 124 OD2 ASP A 11 50.772 17.370 -11.160 1.00 72.40 O ATOM 0 H ASP A 11 50.419 13.881 -11.750 1.00 22.24 H new ATOM 0 HA ASP A 11 51.065 14.657 -8.999 1.00 52.52 H new ATOM 0 HB2 ASP A 11 48.948 15.640 -10.890 1.00 60.33 H new ATOM 0 HB3 ASP A 11 48.826 15.850 -9.155 1.00 60.33 H new ATOM 129 N GLY A 12 49.962 12.611 -8.329 1.00 24.21 N ATOM 130 CA GLY A 12 49.264 11.529 -7.726 1.00 13.41 C ATOM 131 C GLY A 12 49.605 11.450 -6.275 1.00 44.33 C ATOM 132 O GLY A 12 49.774 10.368 -5.719 1.00 44.55 O ATOM 0 H GLY A 12 50.894 12.770 -7.946 1.00 24.21 H new ATOM 0 HA2 GLY A 12 48.189 11.664 -7.849 1.00 13.41 H new ATOM 0 HA3 GLY A 12 49.526 10.594 -8.222 1.00 13.41 H new ATOM 136 N ALA A 13 49.712 12.605 -5.651 1.00 25.35 N ATOM 137 CA ALA A 13 50.043 12.702 -4.232 1.00 53.32 C ATOM 138 C ALA A 13 48.780 12.568 -3.403 1.00 12.11 C ATOM 139 O ALA A 13 48.790 12.636 -2.165 1.00 52.51 O ATOM 140 CB ALA A 13 50.759 14.007 -3.935 1.00 34.21 C ATOM 0 H ALA A 13 49.573 13.507 -6.107 1.00 25.35 H new ATOM 0 HA ALA A 13 50.720 11.890 -3.968 1.00 53.32 H new ATOM 0 HB1 ALA A 13 50.996 14.058 -2.872 1.00 34.21 H new ATOM 0 HB2 ALA A 13 51.680 14.057 -4.515 1.00 34.21 H new ATOM 0 HB3 ALA A 13 50.115 14.845 -4.204 1.00 34.21 H new ATOM 146 N VAL A 14 47.702 12.404 -4.100 1.00 54.25 N ATOM 147 CA VAL A 14 46.409 12.158 -3.524 1.00 44.45 C ATOM 148 C VAL A 14 46.336 10.730 -2.971 1.00 64.41 C ATOM 149 O VAL A 14 47.214 9.898 -3.238 1.00 53.45 O ATOM 150 CB VAL A 14 45.272 12.401 -4.553 1.00 44.03 C ATOM 151 CG1 VAL A 14 45.133 13.886 -4.847 1.00 13.21 C ATOM 152 CG2 VAL A 14 45.546 11.644 -5.848 1.00 42.41 C ATOM 0 H VAL A 14 47.692 12.438 -5.119 1.00 54.25 H new ATOM 0 HA VAL A 14 46.269 12.862 -2.704 1.00 44.45 H new ATOM 0 HB VAL A 14 44.341 12.033 -4.122 1.00 44.03 H new ATOM 0 HG11 VAL A 14 44.332 14.040 -5.570 1.00 13.21 H new ATOM 0 HG12 VAL A 14 44.898 14.419 -3.926 1.00 13.21 H new ATOM 0 HG13 VAL A 14 46.069 14.265 -5.256 1.00 13.21 H new ATOM 0 HG21 VAL A 14 44.737 11.828 -6.555 1.00 42.41 H new ATOM 0 HG22 VAL A 14 46.488 11.986 -6.277 1.00 42.41 H new ATOM 0 HG23 VAL A 14 45.609 10.576 -5.639 1.00 42.41 H new ATOM 162 N THR A 15 45.293 10.440 -2.255 1.00 62.35 N ATOM 163 CA THR A 15 45.116 9.173 -1.576 1.00 70.21 C ATOM 164 C THR A 15 44.552 8.076 -2.496 1.00 24.34 C ATOM 165 O THR A 15 43.892 7.138 -2.036 1.00 4.22 O ATOM 166 CB THR A 15 44.192 9.390 -0.365 1.00 71.00 C ATOM 167 OG1 THR A 15 43.074 10.207 -0.764 1.00 53.52 O ATOM 168 CG2 THR A 15 44.943 10.077 0.769 1.00 33.25 C ATOM 0 H THR A 15 44.517 11.087 -2.117 1.00 62.35 H new ATOM 0 HA THR A 15 46.096 8.822 -1.252 1.00 70.21 H new ATOM 0 HB THR A 15 43.841 8.421 -0.011 1.00 71.00 H new ATOM 0 HG1 THR A 15 42.481 10.347 0.003 1.00 53.52 H new ATOM 0 HG21 THR A 15 44.271 10.221 1.615 1.00 33.25 H new ATOM 0 HG22 THR A 15 45.785 9.457 1.076 1.00 33.25 H new ATOM 0 HG23 THR A 15 45.310 11.045 0.428 1.00 33.25 H new ATOM 176 N THR A 16 44.861 8.159 -3.779 1.00 34.01 N ATOM 177 CA THR A 16 44.402 7.183 -4.724 1.00 62.33 C ATOM 178 C THR A 16 45.288 5.937 -4.688 1.00 62.33 C ATOM 179 O THR A 16 46.136 5.709 -5.568 1.00 4.14 O ATOM 180 CB THR A 16 44.315 7.764 -6.152 1.00 32.31 C ATOM 181 OG1 THR A 16 45.553 8.436 -6.471 1.00 45.44 O ATOM 182 CG2 THR A 16 43.152 8.742 -6.272 1.00 52.43 C ATOM 0 H THR A 16 45.432 8.902 -4.182 1.00 34.01 H new ATOM 0 HA THR A 16 43.392 6.893 -4.434 1.00 62.33 H new ATOM 0 HB THR A 16 44.146 6.946 -6.852 1.00 32.31 H new ATOM 0 HG1 THR A 16 46.307 7.840 -6.281 1.00 45.44 H new ATOM 0 HG21 THR A 16 43.112 9.137 -7.287 1.00 52.43 H new ATOM 0 HG22 THR A 16 42.218 8.227 -6.046 1.00 52.43 H new ATOM 0 HG23 THR A 16 43.293 9.563 -5.568 1.00 52.43 H new ATOM 190 N SER A 17 45.167 5.210 -3.618 1.00 53.04 N ATOM 191 CA SER A 17 45.883 4.000 -3.432 1.00 52.10 C ATOM 192 C SER A 17 44.995 2.834 -3.790 1.00 61.15 C ATOM 193 O SER A 17 43.902 2.679 -3.207 1.00 12.35 O ATOM 194 CB SER A 17 46.352 3.916 -1.979 1.00 13.42 C ATOM 195 OG SER A 17 45.280 4.206 -1.078 1.00 72.44 O ATOM 0 H SER A 17 44.554 5.453 -2.840 1.00 53.04 H new ATOM 0 HA SER A 17 46.759 3.972 -4.080 1.00 52.10 H new ATOM 0 HB2 SER A 17 46.743 2.919 -1.776 1.00 13.42 H new ATOM 0 HB3 SER A 17 47.169 4.618 -1.816 1.00 13.42 H new ATOM 0 HG SER A 17 44.439 3.868 -1.451 1.00 72.44 H new ATOM 201 N GLN A 18 45.414 2.058 -4.766 1.00 32.21 N ATOM 202 CA GLN A 18 44.673 0.895 -5.164 1.00 74.22 C ATOM 203 C GLN A 18 44.747 -0.121 -4.051 1.00 44.22 C ATOM 204 O GLN A 18 45.853 -0.514 -3.615 1.00 45.43 O ATOM 205 CB GLN A 18 45.232 0.280 -6.450 1.00 3.15 C ATOM 206 CG GLN A 18 44.421 -0.914 -6.949 1.00 61.15 C ATOM 207 CD GLN A 18 45.070 -1.637 -8.107 1.00 34.22 C ATOM 208 OE1 GLN A 18 45.845 -2.576 -7.911 1.00 45.24 O ATOM 209 NE2 GLN A 18 44.770 -1.223 -9.306 1.00 0.13 N ATOM 0 H GLN A 18 46.270 2.218 -5.297 1.00 32.21 H new ATOM 0 HA GLN A 18 43.641 1.189 -5.358 1.00 74.22 H new ATOM 0 HB2 GLN A 18 45.259 1.043 -7.228 1.00 3.15 H new ATOM 0 HB3 GLN A 18 46.261 -0.035 -6.277 1.00 3.15 H new ATOM 0 HG2 GLN A 18 44.277 -1.615 -6.127 1.00 61.15 H new ATOM 0 HG3 GLN A 18 43.432 -0.571 -7.253 1.00 61.15 H new ATOM 0 HE21 GLN A 18 44.125 -0.443 -9.430 1.00 0.13 H new ATOM 0 HE22 GLN A 18 45.181 -1.679 -10.121 1.00 0.13 H new ATOM 218 N ILE A 19 43.614 -0.513 -3.570 1.00 44.01 N ATOM 219 CA ILE A 19 43.550 -1.494 -2.546 1.00 23.43 C ATOM 220 C ILE A 19 43.352 -2.824 -3.234 1.00 41.50 C ATOM 221 O ILE A 19 42.346 -3.024 -3.915 1.00 14.42 O ATOM 222 CB ILE A 19 42.384 -1.247 -1.560 1.00 12.45 C ATOM 223 CG1 ILE A 19 42.435 0.189 -1.004 1.00 22.44 C ATOM 224 CG2 ILE A 19 42.429 -2.271 -0.419 1.00 51.15 C ATOM 225 CD1 ILE A 19 41.283 0.550 -0.084 1.00 62.31 C ATOM 0 H ILE A 19 42.708 -0.160 -3.878 1.00 44.01 H new ATOM 0 HA ILE A 19 44.467 -1.461 -1.957 1.00 23.43 H new ATOM 0 HB ILE A 19 41.444 -1.368 -2.098 1.00 12.45 H new ATOM 0 HG12 ILE A 19 43.371 0.322 -0.462 1.00 22.44 H new ATOM 0 HG13 ILE A 19 42.448 0.888 -1.840 1.00 22.44 H new ATOM 0 HG21 ILE A 19 41.603 -2.087 0.268 1.00 51.15 H new ATOM 0 HG22 ILE A 19 42.342 -3.277 -0.829 1.00 51.15 H new ATOM 0 HG23 ILE A 19 43.374 -2.178 0.116 1.00 51.15 H new ATOM 0 HD11 ILE A 19 41.400 1.578 0.260 1.00 62.31 H new ATOM 0 HD12 ILE A 19 40.342 0.453 -0.625 1.00 62.31 H new ATOM 0 HD13 ILE A 19 41.279 -0.122 0.775 1.00 62.31 H new ATOM 237 N PRO A 20 44.323 -3.709 -3.125 1.00 42.12 N ATOM 238 CA PRO A 20 44.251 -5.009 -3.740 1.00 24.14 C ATOM 239 C PRO A 20 43.224 -5.878 -3.042 1.00 41.43 C ATOM 240 O PRO A 20 43.339 -6.169 -1.854 1.00 54.35 O ATOM 241 CB PRO A 20 45.652 -5.596 -3.589 1.00 53.30 C ATOM 242 CG PRO A 20 46.352 -4.763 -2.560 1.00 1.42 C ATOM 243 CD PRO A 20 45.544 -3.509 -2.356 1.00 14.14 C ATOM 0 HA PRO A 20 43.944 -4.951 -4.784 1.00 24.14 H new ATOM 0 HB2 PRO A 20 45.604 -6.639 -3.277 1.00 53.30 H new ATOM 0 HB3 PRO A 20 46.188 -5.571 -4.538 1.00 53.30 H new ATOM 0 HG2 PRO A 20 46.447 -5.313 -1.624 1.00 1.42 H new ATOM 0 HG3 PRO A 20 47.362 -4.518 -2.889 1.00 1.42 H new ATOM 0 HD2 PRO A 20 45.323 -3.351 -1.300 1.00 14.14 H new ATOM 0 HD3 PRO A 20 46.088 -2.630 -2.703 1.00 14.14 H new ATOM 251 N ALA A 21 42.209 -6.233 -3.752 1.00 65.43 N ATOM 252 CA ALA A 21 41.177 -7.063 -3.219 1.00 14.44 C ATOM 253 C ALA A 21 41.184 -8.374 -3.947 1.00 3.11 C ATOM 254 O ALA A 21 40.762 -8.450 -5.100 1.00 3.25 O ATOM 255 CB ALA A 21 39.818 -6.381 -3.336 1.00 30.13 C ATOM 0 H ALA A 21 42.068 -5.956 -4.724 1.00 65.43 H new ATOM 0 HA ALA A 21 41.362 -7.238 -2.159 1.00 14.44 H new ATOM 0 HB1 ALA A 21 39.047 -7.032 -2.924 1.00 30.13 H new ATOM 0 HB2 ALA A 21 39.833 -5.442 -2.783 1.00 30.13 H new ATOM 0 HB3 ALA A 21 39.600 -6.181 -4.385 1.00 30.13 H new ATOM 261 N SER A 22 41.718 -9.383 -3.323 1.00 30.10 N ATOM 262 CA SER A 22 41.761 -10.680 -3.921 1.00 45.52 C ATOM 263 C SER A 22 40.346 -11.250 -4.005 1.00 75.41 C ATOM 264 O SER A 22 39.659 -11.397 -2.979 1.00 42.35 O ATOM 265 CB SER A 22 42.675 -11.591 -3.109 1.00 50.13 C ATOM 266 OG SER A 22 43.968 -11.017 -2.979 1.00 10.35 O ATOM 0 H SER A 22 42.132 -9.329 -2.393 1.00 30.10 H new ATOM 0 HA SER A 22 42.163 -10.609 -4.932 1.00 45.52 H new ATOM 0 HB2 SER A 22 42.245 -11.759 -2.122 1.00 50.13 H new ATOM 0 HB3 SER A 22 42.751 -12.564 -3.594 1.00 50.13 H new ATOM 0 HG SER A 22 44.540 -11.615 -2.454 1.00 10.35 H new ATOM 272 N GLU A 23 39.887 -11.500 -5.208 1.00 72.13 N ATOM 273 CA GLU A 23 38.583 -12.057 -5.398 1.00 51.30 C ATOM 274 C GLU A 23 38.697 -13.546 -5.304 1.00 35.14 C ATOM 275 O GLU A 23 39.412 -14.162 -6.099 1.00 1.53 O ATOM 276 CB GLU A 23 37.973 -11.644 -6.739 1.00 40.41 C ATOM 277 CG GLU A 23 36.587 -12.231 -6.961 1.00 65.24 C ATOM 278 CD GLU A 23 35.976 -11.827 -8.264 1.00 41.23 C ATOM 279 OE1 GLU A 23 36.354 -12.380 -9.309 1.00 12.14 O ATOM 280 OE2 GLU A 23 35.088 -10.950 -8.274 1.00 64.50 O ATOM 0 H GLU A 23 40.405 -11.323 -6.069 1.00 72.13 H new ATOM 0 HA GLU A 23 37.915 -11.676 -4.626 1.00 51.30 H new ATOM 0 HB2 GLU A 23 37.914 -10.557 -6.787 1.00 40.41 H new ATOM 0 HB3 GLU A 23 38.632 -11.963 -7.547 1.00 40.41 H new ATOM 0 HG2 GLU A 23 36.649 -13.318 -6.918 1.00 65.24 H new ATOM 0 HG3 GLU A 23 35.932 -11.917 -6.148 1.00 65.24 H new ATOM 287 N GLN A 24 38.009 -14.111 -4.310 1.00 53.33 N ATOM 288 CA GLN A 24 38.041 -15.534 -4.011 1.00 25.11 C ATOM 289 C GLN A 24 39.411 -15.923 -3.480 1.00 21.45 C ATOM 290 O GLN A 24 40.271 -15.068 -3.198 1.00 14.43 O ATOM 291 CB GLN A 24 37.718 -16.398 -5.245 1.00 75.42 C ATOM 292 CG GLN A 24 36.357 -16.189 -5.859 1.00 1.02 C ATOM 293 CD GLN A 24 36.194 -17.019 -7.102 1.00 43.30 C ATOM 294 OE1 GLN A 24 35.749 -18.167 -7.046 1.00 22.24 O ATOM 295 NE2 GLN A 24 36.572 -16.470 -8.221 1.00 2.23 N ATOM 0 H GLN A 24 37.406 -13.579 -3.683 1.00 53.33 H new ATOM 0 HA GLN A 24 37.274 -15.719 -3.259 1.00 25.11 H new ATOM 0 HB2 GLN A 24 38.473 -16.204 -6.007 1.00 75.42 H new ATOM 0 HB3 GLN A 24 37.811 -17.447 -4.964 1.00 75.42 H new ATOM 0 HG2 GLN A 24 35.584 -16.453 -5.137 1.00 1.02 H new ATOM 0 HG3 GLN A 24 36.221 -15.135 -6.101 1.00 1.02 H new ATOM 0 HE21 GLN A 24 36.935 -15.517 -8.224 1.00 2.23 H new ATOM 0 HE22 GLN A 24 36.505 -16.993 -9.094 1.00 2.23 H new ATOM 304 N GLU A 25 39.589 -17.189 -3.297 1.00 20.02 N ATOM 305 CA GLU A 25 40.846 -17.747 -2.933 1.00 11.33 C ATOM 306 C GLU A 25 41.164 -18.782 -3.980 1.00 22.14 C ATOM 307 O GLU A 25 40.772 -19.953 -3.878 1.00 34.32 O ATOM 308 CB GLU A 25 40.793 -18.338 -1.524 1.00 63.05 C ATOM 309 CG GLU A 25 40.405 -17.306 -0.478 1.00 74.12 C ATOM 310 CD GLU A 25 40.289 -17.858 0.908 1.00 42.43 C ATOM 311 OE1 GLU A 25 39.204 -18.327 1.282 1.00 41.50 O ATOM 312 OE2 GLU A 25 41.269 -17.774 1.675 1.00 53.42 O ATOM 0 H GLU A 25 38.846 -17.880 -3.399 1.00 20.02 H new ATOM 0 HA GLU A 25 41.630 -16.991 -2.900 1.00 11.33 H new ATOM 0 HB2 GLU A 25 40.076 -19.159 -1.504 1.00 63.05 H new ATOM 0 HB3 GLU A 25 41.767 -18.758 -1.272 1.00 63.05 H new ATOM 0 HG2 GLU A 25 41.146 -16.507 -0.479 1.00 74.12 H new ATOM 0 HG3 GLU A 25 39.452 -16.858 -0.760 1.00 74.12 H new ATOM 319 N THR A 26 41.746 -18.313 -5.047 1.00 51.52 N ATOM 320 CA THR A 26 42.021 -19.129 -6.182 1.00 53.31 C ATOM 321 C THR A 26 43.279 -19.967 -5.969 1.00 53.35 C ATOM 322 O THR A 26 44.306 -19.468 -5.484 1.00 30.52 O ATOM 323 CB THR A 26 42.163 -18.240 -7.437 1.00 42.31 C ATOM 324 OG1 THR A 26 40.991 -17.397 -7.545 1.00 20.15 O ATOM 325 CG2 THR A 26 42.286 -19.083 -8.705 1.00 70.41 C ATOM 0 H THR A 26 42.044 -17.343 -5.149 1.00 51.52 H new ATOM 0 HA THR A 26 41.189 -19.819 -6.324 1.00 53.31 H new ATOM 0 HB THR A 26 43.067 -17.640 -7.336 1.00 42.31 H new ATOM 0 HG1 THR A 26 41.070 -16.826 -8.338 1.00 20.15 H new ATOM 0 HG21 THR A 26 42.384 -18.427 -9.570 1.00 70.41 H new ATOM 0 HG22 THR A 26 43.166 -19.723 -8.633 1.00 70.41 H new ATOM 0 HG23 THR A 26 41.396 -19.702 -8.818 1.00 70.41 H new ATOM 333 N LEU A 27 43.175 -21.238 -6.285 1.00 5.11 N ATOM 334 CA LEU A 27 44.296 -22.124 -6.225 1.00 60.50 C ATOM 335 C LEU A 27 45.106 -21.934 -7.469 1.00 75.55 C ATOM 336 O LEU A 27 44.557 -21.763 -8.560 1.00 13.21 O ATOM 337 CB LEU A 27 43.855 -23.583 -6.105 1.00 70.13 C ATOM 338 CG LEU A 27 43.099 -23.964 -4.833 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.723 -25.431 -4.874 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.940 -23.673 -3.603 1.00 40.21 C ATOM 0 H LEU A 27 42.307 -21.679 -6.590 1.00 5.11 H new ATOM 0 HA LEU A 27 44.888 -21.892 -5.339 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.224 -23.820 -6.961 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.741 -24.214 -6.178 1.00 70.13 H new ATOM 0 HG LEU A 27 42.190 -23.365 -4.777 1.00 24.53 H new ATOM 0 HD11 LEU A 27 42.185 -25.694 -3.964 1.00 0.21 H new ATOM 0 HD12 LEU A 27 42.087 -25.620 -5.739 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.626 -26.036 -4.949 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.384 -23.951 -2.708 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.864 -24.249 -3.650 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.177 -22.610 -3.567 1.00 40.21 H new ATOM 352 N VAL A 28 46.382 -21.920 -7.316 1.00 40.25 N ATOM 353 CA VAL A 28 47.253 -21.696 -8.422 1.00 11.42 C ATOM 354 C VAL A 28 48.048 -22.943 -8.773 1.00 51.22 C ATOM 355 O VAL A 28 48.139 -23.890 -7.973 1.00 23.41 O ATOM 356 CB VAL A 28 48.190 -20.499 -8.172 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.373 -19.230 -7.924 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.141 -20.758 -7.009 1.00 61.10 C ATOM 0 H VAL A 28 46.855 -22.063 -6.424 1.00 40.25 H new ATOM 0 HA VAL A 28 46.623 -21.453 -9.278 1.00 11.42 H new ATOM 0 HB VAL A 28 48.798 -20.362 -9.066 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.047 -18.392 -7.749 1.00 1.12 H new ATOM 0 HG12 VAL A 28 46.753 -19.021 -8.795 1.00 1.12 H new ATOM 0 HG13 VAL A 28 46.736 -19.372 -7.051 1.00 1.12 H new ATOM 0 HG21 VAL A 28 49.785 -19.890 -6.865 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.565 -20.937 -6.101 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.754 -21.632 -7.228 1.00 61.10 H new ATOM 368 N ARG A 29 48.611 -22.938 -9.962 1.00 35.24 N ATOM 369 CA ARG A 29 49.373 -24.054 -10.480 1.00 74.24 C ATOM 370 C ARG A 29 50.857 -23.820 -10.247 1.00 40.32 C ATOM 371 O ARG A 29 51.326 -22.719 -10.417 1.00 20.51 O ATOM 372 CB ARG A 29 49.109 -24.221 -11.978 1.00 11.01 C ATOM 373 CG ARG A 29 47.658 -24.501 -12.327 1.00 63.52 C ATOM 374 CD ARG A 29 47.178 -25.765 -11.655 1.00 40.33 C ATOM 375 NE ARG A 29 45.814 -26.121 -12.037 1.00 65.21 N ATOM 376 CZ ARG A 29 45.217 -27.284 -11.741 1.00 15.23 C ATOM 377 NH1 ARG A 29 45.846 -28.198 -11.007 1.00 52.24 N ATOM 378 NH2 ARG A 29 43.990 -27.519 -12.166 1.00 32.15 N ATOM 0 H ARG A 29 48.552 -22.148 -10.605 1.00 35.24 H new ATOM 0 HA ARG A 29 49.065 -24.961 -9.960 1.00 74.24 H new ATOM 0 HB2 ARG A 29 49.427 -23.315 -12.495 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.726 -25.037 -12.355 1.00 11.01 H new ATOM 0 HG2 ARG A 29 47.036 -23.661 -12.017 1.00 63.52 H new ATOM 0 HG3 ARG A 29 47.551 -24.595 -13.408 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.849 -26.585 -11.911 1.00 40.33 H new ATOM 0 HD3 ARG A 29 47.227 -25.638 -10.574 1.00 40.33 H new ATOM 0 HE ARG A 29 45.277 -25.435 -12.567 1.00 65.21 H new ATOM 0 HH11 ARG A 29 46.790 -28.016 -10.665 1.00 52.24 H new ATOM 0 HH12 ARG A 29 45.385 -29.080 -10.786 1.00 52.24 H new ATOM 0 HH21 ARG A 29 43.498 -26.816 -12.718 1.00 32.15 H new ATOM 0 HH22 ARG A 29 43.533 -28.403 -11.942 1.00 32.15 H new ATOM 392 N PRO A 30 51.601 -24.821 -9.805 1.00 1.41 N ATOM 393 CA PRO A 30 53.022 -24.680 -9.584 1.00 43.14 C ATOM 394 C PRO A 30 53.903 -25.232 -10.720 1.00 24.23 C ATOM 395 O PRO A 30 53.643 -26.306 -11.275 1.00 23.12 O ATOM 396 CB PRO A 30 53.230 -25.521 -8.333 1.00 54.02 C ATOM 397 CG PRO A 30 52.151 -26.575 -8.373 1.00 53.23 C ATOM 398 CD PRO A 30 51.130 -26.150 -9.403 1.00 55.33 C ATOM 0 HA PRO A 30 53.308 -23.631 -9.513 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.221 -25.974 -8.325 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.151 -24.912 -7.433 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.574 -27.546 -8.632 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.684 -26.682 -7.394 1.00 53.23 H new ATOM 0 HD2 PRO A 30 51.097 -26.839 -10.247 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.125 -26.112 -8.983 1.00 55.33 H new ATOM 406 N LYS A 31 54.922 -24.485 -11.078 1.00 71.41 N ATOM 407 CA LYS A 31 55.952 -24.998 -11.957 1.00 13.12 C ATOM 408 C LYS A 31 56.860 -25.930 -11.129 1.00 60.43 C ATOM 409 O LYS A 31 56.828 -25.854 -9.890 1.00 12.54 O ATOM 410 CB LYS A 31 56.756 -23.846 -12.605 1.00 45.42 C ATOM 411 CG LYS A 31 55.985 -23.080 -13.670 1.00 33.03 C ATOM 412 CD LYS A 31 56.851 -22.027 -14.344 1.00 44.22 C ATOM 413 CE LYS A 31 56.090 -21.283 -15.438 1.00 72.11 C ATOM 414 NZ LYS A 31 55.676 -22.167 -16.544 1.00 53.45 N ATOM 0 H LYS A 31 55.061 -23.521 -10.775 1.00 71.41 H new ATOM 0 HA LYS A 31 55.503 -25.558 -12.777 1.00 13.12 H new ATOM 0 HB2 LYS A 31 57.068 -23.151 -11.826 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.663 -24.255 -13.050 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.610 -23.777 -14.420 1.00 33.03 H new ATOM 0 HG3 LYS A 31 55.117 -22.601 -13.217 1.00 33.03 H new ATOM 0 HD2 LYS A 31 57.204 -21.315 -13.598 1.00 44.22 H new ATOM 0 HD3 LYS A 31 57.733 -22.502 -14.773 1.00 44.22 H new ATOM 0 HE2 LYS A 31 55.208 -20.812 -15.005 1.00 72.11 H new ATOM 0 HE3 LYS A 31 56.717 -20.484 -15.832 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.348 -21.590 -17.345 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 56.484 -22.749 -16.844 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 54.903 -22.785 -16.224 1.00 53.45 H new ATOM 428 N PRO A 32 57.677 -26.814 -11.772 1.00 4.31 N ATOM 429 CA PRO A 32 58.559 -27.791 -11.076 1.00 5.12 C ATOM 430 C PRO A 32 59.415 -27.163 -9.985 1.00 74.20 C ATOM 431 O PRO A 32 59.662 -27.772 -8.948 1.00 50.13 O ATOM 432 CB PRO A 32 59.460 -28.317 -12.209 1.00 54.05 C ATOM 433 CG PRO A 32 59.257 -27.353 -13.317 1.00 52.24 C ATOM 434 CD PRO A 32 57.821 -26.972 -13.220 1.00 71.25 C ATOM 0 HA PRO A 32 57.975 -28.556 -10.564 1.00 5.12 H new ATOM 0 HB2 PRO A 32 60.505 -28.355 -11.901 1.00 54.05 H new ATOM 0 HB3 PRO A 32 59.178 -29.328 -12.505 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.906 -26.484 -13.211 1.00 52.24 H new ATOM 0 HG3 PRO A 32 59.484 -27.805 -14.283 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.600 -26.051 -13.760 1.00 71.25 H new ATOM 0 HD3 PRO A 32 57.161 -27.742 -13.619 1.00 71.25 H new ATOM 442 N LEU A 33 59.829 -25.931 -10.220 1.00 43.22 N ATOM 443 CA LEU A 33 60.651 -25.182 -9.287 1.00 61.34 C ATOM 444 C LEU A 33 59.899 -24.987 -7.966 1.00 33.42 C ATOM 445 O LEU A 33 60.439 -25.170 -6.872 1.00 21.42 O ATOM 446 CB LEU A 33 60.988 -23.817 -9.886 1.00 61.22 C ATOM 447 CG LEU A 33 61.623 -23.829 -11.278 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.863 -22.415 -11.756 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.917 -24.624 -11.282 1.00 21.44 C ATOM 0 H LEU A 33 59.602 -25.418 -11.072 1.00 43.22 H new ATOM 0 HA LEU A 33 61.570 -25.736 -9.097 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.072 -23.227 -9.932 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.665 -23.302 -9.205 1.00 61.22 H new ATOM 0 HG LEU A 33 60.931 -24.317 -11.965 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.315 -22.438 -12.748 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.914 -21.881 -11.802 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.533 -21.906 -11.063 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.346 -24.616 -12.284 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.622 -24.176 -10.582 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.713 -25.652 -10.983 1.00 21.44 H new ATOM 461 N LEU A 34 58.643 -24.663 -8.079 1.00 3.45 N ATOM 462 CA LEU A 34 57.835 -24.458 -6.920 1.00 64.14 C ATOM 463 C LEU A 34 57.451 -25.782 -6.315 1.00 22.24 C ATOM 464 O LEU A 34 57.560 -25.951 -5.132 1.00 75.12 O ATOM 465 CB LEU A 34 56.624 -23.537 -7.187 1.00 35.35 C ATOM 466 CG LEU A 34 56.926 -22.009 -7.250 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.923 -21.660 -8.341 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.650 -21.207 -7.429 1.00 52.54 C ATOM 0 H LEU A 34 58.158 -24.536 -8.967 1.00 3.45 H new ATOM 0 HA LEU A 34 58.432 -23.919 -6.184 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.167 -23.836 -8.130 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.883 -23.709 -6.406 1.00 35.35 H new ATOM 0 HG LEU A 34 57.379 -21.743 -6.295 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.099 -20.584 -8.343 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.862 -22.181 -8.156 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.524 -21.964 -9.309 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.891 -20.145 -7.470 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.161 -21.504 -8.357 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.981 -21.396 -6.589 1.00 52.54 H new ATOM 480 N LEU A 35 57.080 -26.742 -7.151 1.00 65.12 N ATOM 481 CA LEU A 35 56.763 -28.102 -6.691 1.00 5.32 C ATOM 482 C LEU A 35 57.874 -28.709 -5.855 1.00 54.41 C ATOM 483 O LEU A 35 57.602 -29.317 -4.809 1.00 53.44 O ATOM 484 CB LEU A 35 56.441 -29.020 -7.855 1.00 2.42 C ATOM 485 CG LEU A 35 55.041 -28.900 -8.429 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.942 -29.709 -9.679 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.016 -29.403 -7.422 1.00 71.40 C ATOM 0 H LEU A 35 56.989 -26.610 -8.158 1.00 65.12 H new ATOM 0 HA LEU A 35 55.882 -28.006 -6.057 1.00 5.32 H new ATOM 0 HB2 LEU A 35 57.157 -28.827 -8.653 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.593 -30.050 -7.533 1.00 2.42 H new ATOM 0 HG LEU A 35 54.840 -27.852 -8.651 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.936 -29.622 -10.090 1.00 24.24 H new ATOM 0 HD12 LEU A 35 55.665 -29.342 -10.408 1.00 24.24 H new ATOM 0 HD13 LEU A 35 55.152 -30.754 -9.453 1.00 24.24 H new ATOM 0 HD21 LEU A 35 53.015 -29.312 -7.845 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.218 -30.449 -7.189 1.00 71.40 H new ATOM 0 HD23 LEU A 35 54.080 -28.809 -6.510 1.00 71.40 H new ATOM 499 N LYS A 36 59.122 -28.531 -6.287 1.00 42.34 N ATOM 500 CA LYS A 36 60.230 -29.065 -5.537 1.00 34.14 C ATOM 501 C LYS A 36 60.344 -28.360 -4.189 1.00 62.12 C ATOM 502 O LYS A 36 60.564 -29.005 -3.187 1.00 31.42 O ATOM 503 CB LYS A 36 61.587 -28.985 -6.280 1.00 22.41 C ATOM 504 CG LYS A 36 62.129 -27.583 -6.441 1.00 43.13 C ATOM 505 CD LYS A 36 63.604 -27.564 -6.738 1.00 75.31 C ATOM 506 CE LYS A 36 64.117 -26.139 -6.775 1.00 21.21 C ATOM 507 NZ LYS A 36 65.586 -26.075 -6.844 1.00 23.02 N ATOM 0 H LYS A 36 59.376 -28.029 -7.138 1.00 42.34 H new ATOM 0 HA LYS A 36 60.013 -30.124 -5.397 1.00 34.14 H new ATOM 0 HB2 LYS A 36 62.319 -29.585 -5.739 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.474 -29.433 -7.267 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.593 -27.081 -7.246 1.00 43.13 H new ATOM 0 HG3 LYS A 36 61.938 -27.017 -5.529 1.00 43.13 H new ATOM 0 HD2 LYS A 36 64.142 -28.131 -5.978 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.795 -28.051 -7.694 1.00 75.31 H new ATOM 0 HE2 LYS A 36 63.692 -25.625 -7.637 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.774 -25.609 -5.887 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.889 -25.081 -6.867 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 65.993 -26.542 -6.009 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.914 -26.557 -7.705 1.00 23.02 H new ATOM 521 N LEU A 37 60.111 -27.045 -4.151 1.00 21.34 N ATOM 522 CA LEU A 37 60.306 -26.320 -2.908 1.00 4.13 C ATOM 523 C LEU A 37 59.131 -26.593 -1.973 1.00 55.22 C ATOM 524 O LEU A 37 59.315 -26.840 -0.791 1.00 44.31 O ATOM 525 CB LEU A 37 60.558 -24.798 -3.160 1.00 20.40 C ATOM 526 CG LEU A 37 59.362 -23.861 -3.466 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.719 -23.359 -2.173 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.813 -22.687 -4.324 1.00 24.22 C ATOM 0 H LEU A 37 59.798 -26.482 -4.942 1.00 21.34 H new ATOM 0 HA LEU A 37 61.210 -26.679 -2.416 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.065 -24.402 -2.280 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.256 -24.717 -3.993 1.00 20.40 H new ATOM 0 HG LEU A 37 58.616 -24.432 -4.019 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.882 -22.703 -2.414 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.359 -24.208 -1.592 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.457 -22.807 -1.590 1.00 0.31 H new ATOM 0 HD21 LEU A 37 58.961 -22.039 -4.530 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.579 -22.122 -3.794 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.222 -23.059 -5.264 1.00 24.22 H new ATOM 540 N LEU A 38 57.943 -26.615 -2.554 1.00 2.01 N ATOM 541 CA LEU A 38 56.689 -26.875 -1.866 1.00 62.52 C ATOM 542 C LEU A 38 56.726 -28.208 -1.142 1.00 61.11 C ATOM 543 O LEU A 38 56.562 -28.277 0.075 1.00 21.21 O ATOM 544 CB LEU A 38 55.522 -26.874 -2.887 1.00 42.14 C ATOM 545 CG LEU A 38 54.729 -25.562 -3.131 1.00 23.53 C ATOM 546 CD1 LEU A 38 53.798 -25.272 -1.978 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.629 -24.368 -3.349 1.00 34.23 C ATOM 0 H LEU A 38 57.821 -26.446 -3.553 1.00 2.01 H new ATOM 0 HA LEU A 38 56.538 -26.087 -1.128 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.926 -27.196 -3.847 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.808 -27.634 -2.570 1.00 42.14 H new ATOM 0 HG LEU A 38 54.154 -25.723 -4.043 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.254 -24.348 -2.173 1.00 63.33 H new ATOM 0 HD12 LEU A 38 53.090 -26.093 -1.867 1.00 63.33 H new ATOM 0 HD13 LEU A 38 54.377 -25.165 -1.061 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.020 -23.479 -3.515 1.00 34.23 H new ATOM 0 HD22 LEU A 38 56.256 -24.220 -2.470 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.261 -24.543 -4.220 1.00 34.23 H new ATOM 559 N LYS A 39 57.004 -29.260 -1.864 1.00 4.41 N ATOM 560 CA LYS A 39 56.923 -30.580 -1.292 1.00 72.50 C ATOM 561 C LYS A 39 58.111 -30.896 -0.410 1.00 71.11 C ATOM 562 O LYS A 39 58.050 -31.796 0.418 1.00 23.23 O ATOM 563 CB LYS A 39 56.696 -31.627 -2.363 1.00 34.33 C ATOM 564 CG LYS A 39 55.402 -31.404 -3.117 1.00 51.34 C ATOM 565 CD LYS A 39 55.171 -32.456 -4.170 1.00 50.31 C ATOM 566 CE LYS A 39 53.888 -32.176 -4.917 1.00 14.03 C ATOM 567 NZ LYS A 39 53.626 -33.169 -5.969 1.00 31.25 N ATOM 0 H LYS A 39 57.287 -29.231 -2.844 1.00 4.41 H new ATOM 0 HA LYS A 39 56.053 -30.600 -0.636 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.530 -31.613 -3.065 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.681 -32.616 -1.905 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.569 -31.406 -2.414 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.421 -30.420 -3.586 1.00 51.34 H new ATOM 0 HD2 LYS A 39 56.009 -32.473 -4.867 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.122 -33.441 -3.706 1.00 50.31 H new ATOM 0 HE2 LYS A 39 53.055 -32.167 -4.214 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.939 -31.183 -5.363 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.968 -32.769 -6.668 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 54.519 -33.421 -6.439 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 53.205 -34.021 -5.546 1.00 31.25 H new ATOM 581 N SER A 40 59.172 -30.134 -0.544 1.00 51.14 N ATOM 582 CA SER A 40 60.302 -30.319 0.323 1.00 42.10 C ATOM 583 C SER A 40 60.058 -29.646 1.677 1.00 14.45 C ATOM 584 O SER A 40 60.704 -29.976 2.664 1.00 42.43 O ATOM 585 CB SER A 40 61.581 -29.797 -0.317 1.00 12.23 C ATOM 586 OG SER A 40 61.857 -30.482 -1.530 1.00 61.15 O ATOM 0 H SER A 40 59.272 -29.391 -1.236 1.00 51.14 H new ATOM 0 HA SER A 40 60.427 -31.389 0.487 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.485 -28.729 -0.512 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.415 -29.922 0.374 1.00 12.23 H new ATOM 0 HG SER A 40 61.315 -30.100 -2.252 1.00 61.15 H new ATOM 592 N VAL A 41 59.111 -28.722 1.726 1.00 11.22 N ATOM 593 CA VAL A 41 58.825 -28.025 2.967 1.00 71.41 C ATOM 594 C VAL A 41 57.540 -28.510 3.618 1.00 64.32 C ATOM 595 O VAL A 41 57.074 -27.938 4.606 1.00 51.12 O ATOM 596 CB VAL A 41 58.828 -26.485 2.818 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.185 -25.999 2.338 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.728 -26.008 1.888 1.00 74.11 C ATOM 0 H VAL A 41 58.535 -28.441 0.932 1.00 11.22 H new ATOM 0 HA VAL A 41 59.650 -28.275 3.634 1.00 71.41 H new ATOM 0 HB VAL A 41 58.631 -26.058 3.802 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.169 -24.914 2.239 1.00 44.32 H new ATOM 0 HG12 VAL A 41 60.950 -26.286 3.059 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.411 -26.448 1.371 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.763 -24.921 1.810 1.00 74.11 H new ATOM 0 HG22 VAL A 41 57.870 -26.448 0.901 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.759 -26.312 2.285 1.00 74.11 H new ATOM 608 N GLY A 42 56.995 -29.579 3.096 1.00 13.41 N ATOM 609 CA GLY A 42 55.832 -30.164 3.708 1.00 34.34 C ATOM 610 C GLY A 42 54.536 -29.862 3.004 1.00 74.23 C ATOM 611 O GLY A 42 53.485 -29.791 3.641 1.00 22.34 O ATOM 0 H GLY A 42 57.333 -30.056 2.260 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.964 -31.245 3.750 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.762 -29.811 4.737 1.00 34.34 H new ATOM 615 N ALA A 43 54.574 -29.682 1.708 1.00 52.43 N ATOM 616 CA ALA A 43 53.335 -29.496 0.970 1.00 31.35 C ATOM 617 C ALA A 43 52.893 -30.816 0.425 1.00 13.11 C ATOM 618 O ALA A 43 53.677 -31.545 -0.174 1.00 2.23 O ATOM 619 CB ALA A 43 53.462 -28.482 -0.145 1.00 2.41 C ATOM 0 H ALA A 43 55.425 -29.659 1.146 1.00 52.43 H new ATOM 0 HA ALA A 43 52.591 -29.100 1.661 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.506 -28.386 -0.660 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.748 -27.517 0.272 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.223 -28.812 -0.852 1.00 2.41 H new ATOM 625 N GLN A 44 51.673 -31.145 0.698 1.00 11.11 N ATOM 626 CA GLN A 44 51.083 -32.394 0.269 1.00 14.10 C ATOM 627 C GLN A 44 50.082 -32.118 -0.824 1.00 41.31 C ATOM 628 O GLN A 44 49.660 -33.016 -1.561 1.00 14.35 O ATOM 629 CB GLN A 44 50.414 -33.035 1.465 1.00 34.11 C ATOM 630 CG GLN A 44 51.374 -33.218 2.623 1.00 12.52 C ATOM 631 CD GLN A 44 52.451 -34.249 2.348 1.00 43.54 C ATOM 632 OE1 GLN A 44 52.288 -35.427 2.639 1.00 52.22 O ATOM 633 NE2 GLN A 44 53.547 -33.826 1.777 1.00 5.12 N ATOM 0 H GLN A 44 51.039 -30.552 1.233 1.00 11.11 H new ATOM 0 HA GLN A 44 51.842 -33.071 -0.124 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.574 -32.418 1.784 1.00 34.11 H new ATOM 0 HB3 GLN A 44 50.006 -34.004 1.176 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.845 -32.262 2.851 1.00 12.52 H new ATOM 0 HG3 GLN A 44 50.813 -33.516 3.509 1.00 12.52 H new ATOM 0 HE21 GLN A 44 53.653 -32.838 1.547 1.00 5.12 H new ATOM 0 HE22 GLN A 44 54.296 -34.484 1.562 1.00 5.12 H new ATOM 642 N LYS A 45 49.715 -30.873 -0.917 1.00 34.22 N ATOM 643 CA LYS A 45 48.812 -30.397 -1.923 1.00 1.22 C ATOM 644 C LYS A 45 49.602 -30.019 -3.153 1.00 34.45 C ATOM 645 O LYS A 45 50.728 -29.530 -3.047 1.00 73.42 O ATOM 646 CB LYS A 45 48.074 -29.167 -1.417 1.00 41.14 C ATOM 647 CG LYS A 45 47.225 -29.406 -0.189 1.00 41.43 C ATOM 648 CD LYS A 45 46.697 -28.100 0.395 1.00 52.41 C ATOM 649 CE LYS A 45 45.734 -27.377 -0.533 1.00 2.42 C ATOM 650 NZ LYS A 45 45.180 -26.165 0.104 1.00 21.35 N ATOM 0 H LYS A 45 50.042 -30.145 -0.282 1.00 34.22 H new ATOM 0 HA LYS A 45 48.092 -31.180 -2.160 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.803 -28.388 -1.193 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.437 -28.787 -2.216 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.387 -30.054 -0.446 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.814 -29.930 0.564 1.00 41.43 H new ATOM 0 HD2 LYS A 45 46.194 -28.308 1.339 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.538 -27.443 0.619 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.250 -27.103 -1.453 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.921 -28.048 -0.811 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.220 -26.364 0.452 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.786 -25.884 0.901 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.143 -25.393 -0.592 1.00 21.35 H new ATOM 664 N ASP A 46 49.026 -30.244 -4.302 1.00 71.23 N ATOM 665 CA ASP A 46 49.651 -29.857 -5.561 1.00 33.11 C ATOM 666 C ASP A 46 49.079 -28.537 -6.016 1.00 43.41 C ATOM 667 O ASP A 46 49.402 -28.028 -7.088 1.00 45.42 O ATOM 668 CB ASP A 46 49.456 -30.926 -6.648 1.00 22.43 C ATOM 669 CG ASP A 46 50.275 -32.176 -6.420 1.00 54.13 C ATOM 670 OD1 ASP A 46 49.886 -33.031 -5.592 1.00 45.24 O ATOM 671 OD2 ASP A 46 51.334 -32.342 -7.076 1.00 72.22 O ATOM 0 H ASP A 46 48.118 -30.696 -4.404 1.00 71.23 H new ATOM 0 HA ASP A 46 50.724 -29.758 -5.394 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.401 -31.196 -6.695 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.720 -30.500 -7.616 1.00 22.43 H new ATOM 676 N THR A 47 48.216 -27.996 -5.192 1.00 73.34 N ATOM 677 CA THR A 47 47.599 -26.723 -5.411 1.00 64.41 C ATOM 678 C THR A 47 47.605 -25.945 -4.125 1.00 71.43 C ATOM 679 O THR A 47 47.574 -26.534 -3.040 1.00 40.44 O ATOM 680 CB THR A 47 46.164 -26.869 -5.906 1.00 20.33 C ATOM 681 OG1 THR A 47 45.509 -27.937 -5.194 1.00 44.41 O ATOM 682 CG2 THR A 47 46.112 -27.100 -7.402 1.00 54.35 C ATOM 0 H THR A 47 47.919 -28.447 -4.327 1.00 73.34 H new ATOM 0 HA THR A 47 48.167 -26.198 -6.179 1.00 64.41 H new ATOM 0 HB THR A 47 45.636 -25.936 -5.708 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.587 -28.026 -5.514 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.074 -27.199 -7.719 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.569 -26.255 -7.917 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.655 -28.012 -7.648 1.00 54.35 H new ATOM 690 N TYR A 48 47.647 -24.651 -4.233 1.00 21.32 N ATOM 691 CA TYR A 48 47.731 -23.784 -3.081 1.00 72.11 C ATOM 692 C TYR A 48 47.322 -22.383 -3.478 1.00 63.32 C ATOM 693 O TYR A 48 47.224 -22.093 -4.674 1.00 44.22 O ATOM 694 CB TYR A 48 49.163 -23.816 -2.513 1.00 30.34 C ATOM 695 CG TYR A 48 50.242 -23.556 -3.543 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.643 -22.272 -3.850 1.00 63.43 C ATOM 697 CD2 TYR A 48 50.847 -24.609 -4.214 1.00 21.34 C ATOM 698 CE1 TYR A 48 51.613 -22.042 -4.799 1.00 12.51 C ATOM 699 CE2 TYR A 48 51.815 -24.386 -5.156 1.00 2.02 C ATOM 700 CZ TYR A 48 52.195 -23.098 -5.444 1.00 2.34 C ATOM 701 OH TYR A 48 53.145 -22.863 -6.391 1.00 72.12 O ATOM 0 H TYR A 48 47.624 -24.157 -5.125 1.00 21.32 H new ATOM 0 HA TYR A 48 47.053 -24.129 -2.300 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.245 -23.072 -1.721 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.339 -24.789 -2.055 1.00 30.34 H new ATOM 0 HD1 TYR A 48 50.189 -21.436 -3.339 1.00 63.43 H new ATOM 0 HD2 TYR A 48 50.549 -25.622 -3.989 1.00 21.34 H new ATOM 0 HE1 TYR A 48 51.913 -21.031 -5.033 1.00 12.51 H new ATOM 0 HE2 TYR A 48 52.276 -25.217 -5.669 1.00 2.02 H new ATOM 0 HH TYR A 48 52.727 -22.852 -7.278 1.00 72.12 H new ATOM 711 N THR A 49 47.060 -21.541 -2.516 1.00 4.35 N ATOM 712 CA THR A 49 46.645 -20.190 -2.779 1.00 1.34 C ATOM 713 C THR A 49 47.816 -19.225 -2.642 1.00 15.00 C ATOM 714 O THR A 49 48.956 -19.638 -2.374 1.00 52.25 O ATOM 715 CB THR A 49 45.569 -19.768 -1.775 1.00 51.02 C ATOM 716 OG1 THR A 49 46.053 -20.000 -0.436 1.00 64.22 O ATOM 717 CG2 THR A 49 44.274 -20.521 -2.001 1.00 61.52 C ATOM 0 H THR A 49 47.128 -21.773 -1.525 1.00 4.35 H new ATOM 0 HA THR A 49 46.257 -20.156 -3.797 1.00 1.34 H new ATOM 0 HB THR A 49 45.360 -18.707 -1.915 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.368 -19.730 0.211 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.532 -20.197 -1.271 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.906 -20.318 -3.007 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.451 -21.591 -1.888 1.00 61.52 H new ATOM 725 N MET A 50 47.506 -17.941 -2.782 1.00 21.14 N ATOM 726 CA MET A 50 48.466 -16.838 -2.617 1.00 1.43 C ATOM 727 C MET A 50 48.983 -16.851 -1.167 1.00 72.53 C ATOM 728 O MET A 50 50.158 -16.617 -0.906 1.00 74.21 O ATOM 729 CB MET A 50 47.740 -15.502 -2.894 1.00 22.31 C ATOM 730 CG MET A 50 48.574 -14.208 -2.825 1.00 4.50 C ATOM 731 SD MET A 50 49.296 -13.663 -4.415 1.00 33.11 S ATOM 732 CE MET A 50 50.687 -14.755 -4.652 1.00 73.31 C ATOM 0 H MET A 50 46.566 -17.624 -3.018 1.00 21.14 H new ATOM 0 HA MET A 50 49.301 -16.951 -3.308 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.294 -15.562 -3.887 1.00 22.31 H new ATOM 0 HB3 MET A 50 46.920 -15.411 -2.182 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.943 -13.408 -2.437 1.00 4.50 H new ATOM 0 HG3 MET A 50 49.382 -14.353 -2.108 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.301 -14.389 -5.475 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.283 -14.788 -3.740 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.327 -15.757 -4.886 1.00 73.31 H new ATOM 742 N LYS A 51 48.094 -17.170 -0.241 1.00 14.32 N ATOM 743 CA LYS A 51 48.448 -17.231 1.170 1.00 64.44 C ATOM 744 C LYS A 51 49.257 -18.474 1.490 1.00 30.11 C ATOM 745 O LYS A 51 50.240 -18.414 2.220 1.00 14.04 O ATOM 746 CB LYS A 51 47.204 -17.184 2.048 1.00 41.10 C ATOM 747 CG LYS A 51 46.451 -15.878 1.952 1.00 73.21 C ATOM 748 CD LYS A 51 45.289 -15.825 2.924 1.00 42.42 C ATOM 749 CE LYS A 51 44.595 -14.485 2.840 1.00 70.32 C ATOM 750 NZ LYS A 51 43.501 -14.352 3.807 1.00 25.31 N ATOM 0 H LYS A 51 47.119 -17.392 -0.441 1.00 14.32 H new ATOM 0 HA LYS A 51 49.064 -16.357 1.383 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.539 -18.000 1.766 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.494 -17.352 3.085 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.131 -15.051 2.154 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.081 -15.746 0.935 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.582 -16.623 2.699 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.648 -15.993 3.939 1.00 42.42 H new ATOM 0 HE2 LYS A 51 45.323 -13.692 3.010 1.00 70.32 H new ATOM 0 HE3 LYS A 51 44.203 -14.346 1.833 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.195 -13.359 3.850 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 42.702 -14.948 3.511 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 43.829 -14.654 4.746 1.00 25.31 H new ATOM 764 N GLU A 52 48.858 -19.593 0.922 1.00 55.54 N ATOM 765 CA GLU A 52 49.534 -20.855 1.185 1.00 75.23 C ATOM 766 C GLU A 52 50.947 -20.860 0.657 1.00 14.34 C ATOM 767 O GLU A 52 51.856 -21.387 1.312 1.00 34.14 O ATOM 768 CB GLU A 52 48.761 -22.048 0.665 1.00 51.14 C ATOM 769 CG GLU A 52 47.460 -22.304 1.384 1.00 60.21 C ATOM 770 CD GLU A 52 46.790 -23.556 0.905 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.157 -23.539 -0.161 1.00 34.40 O ATOM 772 OE2 GLU A 52 46.876 -24.597 1.592 1.00 4.25 O ATOM 0 H GLU A 52 48.071 -19.659 0.276 1.00 55.54 H new ATOM 0 HA GLU A 52 49.582 -20.949 2.270 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.554 -21.899 -0.395 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.388 -22.936 0.745 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.647 -22.380 2.455 1.00 60.21 H new ATOM 0 HG3 GLU A 52 46.791 -21.456 1.236 1.00 60.21 H new ATOM 779 N VAL A 53 51.157 -20.258 -0.502 1.00 43.32 N ATOM 780 CA VAL A 53 52.491 -20.167 -1.041 1.00 51.12 C ATOM 781 C VAL A 53 53.355 -19.317 -0.154 1.00 21.10 C ATOM 782 O VAL A 53 54.472 -19.647 0.051 1.00 11.23 O ATOM 783 CB VAL A 53 52.524 -19.705 -2.512 1.00 30.31 C ATOM 784 CG1 VAL A 53 51.872 -18.366 -2.717 1.00 1.34 C ATOM 785 CG2 VAL A 53 53.924 -19.724 -3.072 1.00 10.42 C ATOM 0 H VAL A 53 50.429 -19.833 -1.076 1.00 43.32 H new ATOM 0 HA VAL A 53 52.904 -21.176 -1.054 1.00 51.12 H new ATOM 0 HB VAL A 53 51.931 -20.429 -3.071 1.00 30.31 H new ATOM 0 HG11 VAL A 53 51.925 -18.093 -3.771 1.00 1.34 H new ATOM 0 HG12 VAL A 53 50.828 -18.419 -2.408 1.00 1.34 H new ATOM 0 HG13 VAL A 53 52.389 -17.614 -2.121 1.00 1.34 H new ATOM 0 HG21 VAL A 53 53.905 -19.392 -4.110 1.00 10.42 H new ATOM 0 HG22 VAL A 53 54.558 -19.056 -2.489 1.00 10.42 H new ATOM 0 HG23 VAL A 53 54.322 -20.738 -3.022 1.00 10.42 H new ATOM 795 N LEU A 54 52.807 -18.260 0.416 1.00 70.30 N ATOM 796 CA LEU A 54 53.556 -17.474 1.403 1.00 2.43 C ATOM 797 C LEU A 54 54.073 -18.389 2.512 1.00 14.03 C ATOM 798 O LEU A 54 55.257 -18.404 2.803 1.00 21.52 O ATOM 799 CB LEU A 54 52.714 -16.349 2.029 1.00 11.33 C ATOM 800 CG LEU A 54 52.151 -15.293 1.081 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.446 -14.208 1.842 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.222 -14.740 0.161 1.00 72.44 C ATOM 0 H LEU A 54 51.864 -17.923 0.224 1.00 70.30 H new ATOM 0 HA LEU A 54 54.386 -17.009 0.872 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.879 -16.806 2.560 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.327 -15.842 2.774 1.00 11.33 H new ATOM 0 HG LEU A 54 51.411 -15.777 0.444 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.055 -13.469 1.143 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.623 -14.639 2.413 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.147 -13.727 2.524 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.784 -13.991 -0.499 1.00 72.44 H new ATOM 0 HD22 LEU A 54 54.012 -14.281 0.756 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.642 -15.549 -0.437 1.00 72.44 H new ATOM 814 N PHE A 55 53.202 -19.229 3.032 1.00 3.44 N ATOM 815 CA PHE A 55 53.571 -20.112 4.131 1.00 31.34 C ATOM 816 C PHE A 55 54.670 -21.092 3.704 1.00 34.30 C ATOM 817 O PHE A 55 55.739 -21.132 4.297 1.00 13.01 O ATOM 818 CB PHE A 55 52.361 -20.894 4.675 1.00 43.03 C ATOM 819 CG PHE A 55 51.201 -20.047 5.142 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.406 -18.886 5.875 1.00 43.53 C ATOM 821 CD2 PHE A 55 49.901 -20.415 4.835 1.00 13.12 C ATOM 822 CE1 PHE A 55 50.336 -18.114 6.290 1.00 44.21 C ATOM 823 CE2 PHE A 55 48.829 -19.646 5.247 1.00 72.04 C ATOM 824 CZ PHE A 55 49.047 -18.496 5.977 1.00 42.14 C ATOM 0 H PHE A 55 52.237 -19.323 2.717 1.00 3.44 H new ATOM 0 HA PHE A 55 53.950 -19.475 4.930 1.00 31.34 H new ATOM 0 HB2 PHE A 55 52.006 -21.569 3.896 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.695 -21.514 5.507 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.412 -18.582 6.124 1.00 43.53 H new ATOM 0 HD2 PHE A 55 49.723 -21.315 4.266 1.00 13.12 H new ATOM 0 HE1 PHE A 55 50.509 -17.212 6.859 1.00 44.21 H new ATOM 0 HE2 PHE A 55 47.822 -19.945 4.998 1.00 72.04 H new ATOM 0 HZ PHE A 55 48.211 -17.896 6.303 1.00 42.14 H new ATOM 834 N TYR A 56 54.415 -21.835 2.648 1.00 63.30 N ATOM 835 CA TYR A 56 55.336 -22.866 2.190 1.00 1.22 C ATOM 836 C TYR A 56 56.587 -22.300 1.516 1.00 62.54 C ATOM 837 O TYR A 56 57.692 -22.767 1.783 1.00 21.03 O ATOM 838 CB TYR A 56 54.657 -23.856 1.250 1.00 51.34 C ATOM 839 CG TYR A 56 53.537 -24.668 1.867 1.00 64.03 C ATOM 840 CD1 TYR A 56 53.809 -25.705 2.744 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.212 -24.409 1.553 1.00 33.42 C ATOM 842 CE1 TYR A 56 52.789 -26.460 3.297 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.186 -25.152 2.100 1.00 32.12 C ATOM 844 CZ TYR A 56 51.478 -26.175 2.971 1.00 61.21 C ATOM 845 OH TYR A 56 50.454 -26.925 3.517 1.00 44.45 O ATOM 0 H TYR A 56 53.571 -21.746 2.083 1.00 63.30 H new ATOM 0 HA TYR A 56 55.652 -23.387 3.093 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.259 -23.307 0.397 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.411 -24.542 0.864 1.00 51.34 H new ATOM 0 HD1 TYR A 56 54.834 -25.928 3.001 1.00 1.33 H new ATOM 0 HD2 TYR A 56 51.978 -23.609 0.866 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.017 -27.266 3.979 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.160 -24.931 1.846 1.00 32.12 H new ATOM 0 HH TYR A 56 49.593 -26.594 3.186 1.00 44.45 H new ATOM 855 N LEU A 57 56.425 -21.294 0.658 1.00 33.41 N ATOM 856 CA LEU A 57 57.562 -20.730 -0.064 1.00 40.31 C ATOM 857 C LEU A 57 58.505 -20.090 0.950 1.00 40.54 C ATOM 858 O LEU A 57 59.731 -20.192 0.841 1.00 5.14 O ATOM 859 CB LEU A 57 57.086 -19.710 -1.145 1.00 53.03 C ATOM 860 CG LEU A 57 58.042 -19.376 -2.321 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.317 -18.575 -3.387 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.260 -18.601 -1.876 1.00 3.30 C ATOM 0 H LEU A 57 55.527 -20.857 0.448 1.00 33.41 H new ATOM 0 HA LEU A 57 58.095 -21.517 -0.598 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.157 -20.088 -1.571 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.847 -18.776 -0.637 1.00 53.03 H new ATOM 0 HG LEU A 57 58.375 -20.332 -2.726 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.004 -18.350 -4.203 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.477 -19.155 -3.769 1.00 53.32 H new ATOM 0 HD13 LEU A 57 56.949 -17.644 -2.955 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.894 -18.394 -2.738 1.00 3.30 H new ATOM 0 HD22 LEU A 57 58.947 -17.661 -1.422 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.819 -19.188 -1.147 1.00 3.30 H new ATOM 874 N GLY A 58 57.904 -19.501 1.975 1.00 34.05 N ATOM 875 CA GLY A 58 58.651 -18.875 3.040 1.00 74.30 C ATOM 876 C GLY A 58 59.507 -19.865 3.780 1.00 10.41 C ATOM 877 O GLY A 58 60.653 -19.551 4.129 1.00 32.52 O ATOM 0 H GLY A 58 56.891 -19.447 2.085 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.281 -18.087 2.627 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.961 -18.399 3.737 1.00 74.30 H new ATOM 881 N GLN A 59 58.975 -21.084 3.974 1.00 63.23 N ATOM 882 CA GLN A 59 59.707 -22.147 4.661 1.00 64.13 C ATOM 883 C GLN A 59 61.003 -22.414 3.925 1.00 12.12 C ATOM 884 O GLN A 59 62.060 -22.466 4.525 1.00 60.00 O ATOM 885 CB GLN A 59 58.916 -23.462 4.696 1.00 61.45 C ATOM 886 CG GLN A 59 57.512 -23.379 5.250 1.00 71.21 C ATOM 887 CD GLN A 59 57.436 -22.854 6.664 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.353 -23.032 7.479 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.354 -22.214 6.962 1.00 73.55 N ATOM 0 H GLN A 59 58.041 -21.352 3.663 1.00 63.23 H new ATOM 0 HA GLN A 59 59.882 -21.812 5.683 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.862 -23.857 3.681 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.477 -24.184 5.289 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.915 -22.736 4.603 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.061 -24.371 5.218 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.625 -22.091 6.260 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.229 -21.832 7.899 1.00 73.55 H new ATOM 898 N TYR A 60 60.896 -22.525 2.605 1.00 52.35 N ATOM 899 CA TYR A 60 62.025 -22.818 1.729 1.00 12.25 C ATOM 900 C TYR A 60 63.126 -21.769 1.846 1.00 54.12 C ATOM 901 O TYR A 60 64.310 -22.103 1.938 1.00 53.15 O ATOM 902 CB TYR A 60 61.545 -22.939 0.274 1.00 33.44 C ATOM 903 CG TYR A 60 62.647 -23.153 -0.749 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.328 -24.360 -0.831 1.00 3.25 C ATOM 905 CD2 TYR A 60 62.993 -22.144 -1.646 1.00 22.44 C ATOM 906 CE1 TYR A 60 64.321 -24.555 -1.770 1.00 41.23 C ATOM 907 CE2 TYR A 60 63.986 -22.333 -2.587 1.00 63.13 C ATOM 908 CZ TYR A 60 64.647 -23.538 -2.644 1.00 64.01 C ATOM 909 OH TYR A 60 65.638 -23.738 -3.589 1.00 62.05 O ATOM 0 H TYR A 60 60.013 -22.413 2.108 1.00 52.35 H new ATOM 0 HA TYR A 60 62.453 -23.769 2.045 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.841 -23.769 0.207 1.00 33.44 H new ATOM 0 HB3 TYR A 60 60.997 -22.034 0.012 1.00 33.44 H new ATOM 0 HD1 TYR A 60 63.077 -25.159 -0.149 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.475 -21.197 -1.604 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.841 -25.500 -1.820 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.242 -21.540 -3.274 1.00 63.13 H new ATOM 0 HH TYR A 60 66.182 -22.927 -3.669 1.00 62.05 H new ATOM 919 N ILE A 61 62.735 -20.517 1.894 1.00 22.33 N ATOM 920 CA ILE A 61 63.702 -19.435 1.940 1.00 54.32 C ATOM 921 C ILE A 61 64.358 -19.430 3.304 1.00 22.41 C ATOM 922 O ILE A 61 65.568 -19.202 3.424 1.00 45.34 O ATOM 923 CB ILE A 61 63.055 -18.049 1.712 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.143 -18.066 0.489 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.153 -16.982 1.506 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.428 -16.752 0.233 1.00 12.42 C ATOM 0 H ILE A 61 61.760 -20.219 1.902 1.00 22.33 H new ATOM 0 HA ILE A 61 64.423 -19.606 1.140 1.00 54.32 H new ATOM 0 HB ILE A 61 62.461 -17.807 2.593 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.735 -18.323 -0.389 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.400 -18.854 0.614 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.689 -16.009 1.346 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.790 -16.940 2.390 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.756 -17.244 0.637 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.800 -16.846 -0.653 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.807 -16.502 1.093 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.163 -15.963 0.075 1.00 12.42 H new ATOM 938 N MET A 62 63.563 -19.714 4.325 1.00 72.44 N ATOM 939 CA MET A 62 64.049 -19.736 5.688 1.00 41.23 C ATOM 940 C MET A 62 64.974 -20.894 5.932 1.00 61.21 C ATOM 941 O MET A 62 66.068 -20.712 6.406 1.00 12.42 O ATOM 942 CB MET A 62 62.922 -19.803 6.721 1.00 32.32 C ATOM 943 CG MET A 62 62.051 -18.577 6.822 1.00 13.52 C ATOM 944 SD MET A 62 60.797 -18.732 8.112 1.00 44.31 S ATOM 945 CE MET A 62 61.822 -18.904 9.580 1.00 63.31 C ATOM 0 H MET A 62 62.572 -19.933 4.229 1.00 72.44 H new ATOM 0 HA MET A 62 64.586 -18.795 5.811 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.288 -20.657 6.484 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.362 -19.994 7.700 1.00 32.32 H new ATOM 0 HG2 MET A 62 62.675 -17.707 7.027 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.563 -18.401 5.863 1.00 13.52 H new ATOM 0 HE1 MET A 62 61.235 -18.656 10.465 1.00 63.31 H new ATOM 0 HE2 MET A 62 62.178 -19.931 9.657 1.00 63.31 H new ATOM 0 HE3 MET A 62 62.675 -18.229 9.509 1.00 63.31 H new ATOM 955 N THR A 63 64.539 -22.063 5.543 1.00 24.30 N ATOM 956 CA THR A 63 65.232 -23.301 5.867 1.00 13.21 C ATOM 957 C THR A 63 66.580 -23.427 5.136 1.00 64.20 C ATOM 958 O THR A 63 67.509 -24.072 5.622 1.00 74.44 O ATOM 959 CB THR A 63 64.318 -24.548 5.620 1.00 32.20 C ATOM 960 OG1 THR A 63 64.878 -25.713 6.234 1.00 73.21 O ATOM 961 CG2 THR A 63 64.112 -24.817 4.129 1.00 71.34 C ATOM 0 H THR A 63 63.692 -22.194 4.990 1.00 24.30 H new ATOM 0 HA THR A 63 65.461 -23.267 6.932 1.00 13.21 H new ATOM 0 HB THR A 63 63.349 -24.325 6.068 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.293 -26.482 6.071 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.472 -25.690 4.002 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.640 -23.951 3.665 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.076 -25.002 3.656 1.00 71.34 H new ATOM 969 N LYS A 64 66.685 -22.802 3.991 1.00 74.50 N ATOM 970 CA LYS A 64 67.924 -22.826 3.236 1.00 35.22 C ATOM 971 C LYS A 64 68.734 -21.600 3.572 1.00 24.12 C ATOM 972 O LYS A 64 69.928 -21.524 3.290 1.00 50.03 O ATOM 973 CB LYS A 64 67.615 -22.852 1.753 1.00 41.22 C ATOM 974 CG LYS A 64 66.767 -24.024 1.329 1.00 22.42 C ATOM 975 CD LYS A 64 67.482 -25.347 1.533 1.00 13.51 C ATOM 976 CE LYS A 64 66.593 -26.525 1.185 1.00 12.10 C ATOM 977 NZ LYS A 64 67.276 -27.815 1.402 1.00 42.24 N ATOM 0 H LYS A 64 65.932 -22.269 3.557 1.00 74.50 H new ATOM 0 HA LYS A 64 68.495 -23.718 3.495 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.104 -21.928 1.482 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.552 -22.873 1.196 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.837 -24.023 1.898 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.498 -23.916 0.278 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.380 -25.374 0.916 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.806 -25.429 2.571 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.688 -26.488 1.791 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.283 -26.450 0.143 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.634 -28.594 1.152 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.126 -27.862 0.805 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.550 -27.899 2.402 1.00 42.24 H new ATOM 991 N ARG A 65 68.052 -20.656 4.195 1.00 62.41 N ATOM 992 CA ARG A 65 68.606 -19.365 4.590 1.00 10.24 C ATOM 993 C ARG A 65 69.040 -18.596 3.369 1.00 55.32 C ATOM 994 O ARG A 65 70.185 -18.208 3.221 1.00 33.21 O ATOM 995 CB ARG A 65 69.745 -19.448 5.639 1.00 10.13 C ATOM 996 CG ARG A 65 69.323 -19.884 7.045 1.00 12.01 C ATOM 997 CD ARG A 65 68.979 -21.357 7.115 1.00 0.21 C ATOM 998 NE ARG A 65 68.531 -21.765 8.447 1.00 35.32 N ATOM 999 CZ ARG A 65 68.664 -23.000 8.940 1.00 62.31 C ATOM 1000 NH1 ARG A 65 69.197 -23.958 8.195 1.00 53.35 N ATOM 1001 NH2 ARG A 65 68.257 -23.280 10.167 1.00 23.34 N ATOM 0 H ARG A 65 67.070 -20.765 4.449 1.00 62.41 H new ATOM 0 HA ARG A 65 67.802 -18.830 5.096 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.500 -20.144 5.274 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.221 -18.470 5.709 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.129 -19.668 7.746 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.460 -19.297 7.361 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.197 -21.579 6.388 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.853 -21.945 6.833 1.00 0.21 H new ATOM 0 HE ARG A 65 68.088 -21.061 9.038 1.00 35.32 H new ATOM 0 HH11 ARG A 65 69.506 -23.753 7.245 1.00 53.35 H new ATOM 0 HH12 ARG A 65 69.298 -24.900 8.572 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.838 -22.551 10.744 1.00 23.34 H new ATOM 0 HH22 ARG A 65 68.362 -24.225 10.536 1.00 23.34 H new ATOM 1015 N LEU A 66 68.107 -18.411 2.480 1.00 53.51 N ATOM 1016 CA LEU A 66 68.361 -17.716 1.242 1.00 71.15 C ATOM 1017 C LEU A 66 68.063 -16.232 1.399 1.00 32.04 C ATOM 1018 O LEU A 66 68.212 -15.434 0.454 1.00 73.22 O ATOM 1019 CB LEU A 66 67.541 -18.331 0.118 1.00 33.23 C ATOM 1020 CG LEU A 66 67.869 -19.776 -0.255 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.894 -20.289 -1.299 1.00 34.12 C ATOM 1022 CD2 LEU A 66 69.300 -19.895 -0.771 1.00 42.44 C ATOM 0 H LEU A 66 67.146 -18.736 2.589 1.00 53.51 H new ATOM 0 HA LEU A 66 69.415 -17.819 0.984 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.489 -18.282 0.397 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.664 -17.713 -0.771 1.00 33.23 H new ATOM 0 HG LEU A 66 67.776 -20.385 0.644 1.00 74.22 H new ATOM 0 HD11 LEU A 66 67.142 -21.320 -1.553 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.880 -20.247 -0.901 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.959 -19.669 -2.193 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.508 -20.933 -1.030 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.421 -19.269 -1.655 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.994 -19.567 0.003 1.00 42.44 H new ATOM 1034 N TYR A 67 67.624 -15.869 2.584 1.00 50.33 N ATOM 1035 CA TYR A 67 67.396 -14.490 2.916 1.00 63.44 C ATOM 1036 C TYR A 67 68.661 -13.967 3.558 1.00 41.21 C ATOM 1037 O TYR A 67 69.555 -14.768 3.895 1.00 0.14 O ATOM 1038 CB TYR A 67 66.174 -14.307 3.838 1.00 32.51 C ATOM 1039 CG TYR A 67 66.300 -14.921 5.214 1.00 55.05 C ATOM 1040 CD1 TYR A 67 65.974 -16.253 5.442 1.00 64.31 C ATOM 1041 CD2 TYR A 67 66.733 -14.156 6.291 1.00 24.21 C ATOM 1042 CE1 TYR A 67 66.083 -16.803 6.704 1.00 44.51 C ATOM 1043 CE2 TYR A 67 66.838 -14.703 7.555 1.00 3.00 C ATOM 1044 CZ TYR A 67 66.512 -16.029 7.752 1.00 62.24 C ATOM 1045 OH TYR A 67 66.606 -16.582 9.010 1.00 52.04 O ATOM 0 H TYR A 67 67.417 -16.523 3.339 1.00 50.33 H new ATOM 0 HA TYR A 67 67.165 -13.925 2.013 1.00 63.44 H new ATOM 0 HB2 TYR A 67 65.983 -13.240 3.951 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.302 -14.737 3.346 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.631 -16.866 4.621 1.00 64.31 H new ATOM 0 HD2 TYR A 67 66.991 -13.119 6.137 1.00 24.21 H new ATOM 0 HE1 TYR A 67 65.831 -17.841 6.866 1.00 44.51 H new ATOM 0 HE2 TYR A 67 67.173 -14.097 8.384 1.00 3.00 H new ATOM 0 HH TYR A 67 66.926 -15.905 9.642 1.00 52.04 H new ATOM 1055 N ASP A 68 68.761 -12.687 3.745 1.00 63.44 N ATOM 1056 CA ASP A 68 69.974 -12.126 4.276 1.00 21.32 C ATOM 1057 C ASP A 68 70.113 -12.399 5.746 1.00 52.35 C ATOM 1058 O ASP A 68 69.147 -12.351 6.497 1.00 13.34 O ATOM 1059 CB ASP A 68 70.065 -10.645 4.033 1.00 1.00 C ATOM 1060 CG ASP A 68 71.393 -10.116 4.470 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.431 -10.693 4.081 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.432 -9.147 5.223 1.00 24.12 O ATOM 0 H ASP A 68 68.025 -12.011 3.541 1.00 63.44 H new ATOM 0 HA ASP A 68 70.791 -12.615 3.746 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.916 -10.436 2.974 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.269 -10.134 4.574 1.00 1.00 H new ATOM 1067 N GLU A 69 71.313 -12.670 6.155 1.00 63.22 N ATOM 1068 CA GLU A 69 71.583 -12.969 7.518 1.00 62.14 C ATOM 1069 C GLU A 69 71.598 -11.717 8.388 1.00 64.00 C ATOM 1070 O GLU A 69 71.476 -11.821 9.610 1.00 30.11 O ATOM 1071 CB GLU A 69 72.883 -13.749 7.664 1.00 42.41 C ATOM 1072 CG GLU A 69 74.075 -13.106 6.987 1.00 61.33 C ATOM 1073 CD GLU A 69 75.366 -13.787 7.327 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.669 -14.870 6.775 1.00 24.54 O ATOM 1075 OE2 GLU A 69 76.124 -13.247 8.133 1.00 52.31 O ATOM 0 H GLU A 69 72.132 -12.689 5.548 1.00 63.22 H new ATOM 0 HA GLU A 69 70.767 -13.599 7.873 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.104 -13.869 8.725 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.742 -14.748 7.252 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.930 -13.128 5.907 1.00 61.33 H new ATOM 0 HG3 GLU A 69 74.133 -12.058 7.280 1.00 61.33 H new ATOM 1082 N LYS A 70 71.738 -10.541 7.780 1.00 21.31 N ATOM 1083 CA LYS A 70 71.795 -9.316 8.571 1.00 43.13 C ATOM 1084 C LYS A 70 70.452 -8.597 8.513 1.00 3.23 C ATOM 1085 O LYS A 70 70.050 -7.924 9.471 1.00 14.52 O ATOM 1086 CB LYS A 70 72.805 -8.356 7.967 1.00 51.11 C ATOM 1087 CG LYS A 70 74.052 -8.979 7.374 1.00 5.05 C ATOM 1088 CD LYS A 70 74.968 -9.617 8.399 1.00 31.00 C ATOM 1089 CE LYS A 70 76.268 -10.055 7.741 1.00 65.43 C ATOM 1090 NZ LYS A 70 77.131 -10.835 8.648 1.00 33.03 N ATOM 0 H LYS A 70 71.812 -10.411 6.771 1.00 21.31 H new ATOM 0 HA LYS A 70 72.061 -9.592 9.591 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.306 -7.781 7.187 1.00 51.11 H new ATOM 0 HB3 LYS A 70 73.110 -7.649 8.739 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.757 -9.734 6.645 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.607 -8.213 6.833 1.00 5.05 H new ATOM 0 HD2 LYS A 70 75.178 -8.909 9.201 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.475 -10.476 8.854 1.00 31.00 H new ATOM 0 HE2 LYS A 70 76.040 -10.653 6.859 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.811 -9.175 7.397 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 78.099 -10.862 8.269 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 77.140 -10.389 9.588 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.764 -11.805 8.728 1.00 33.03 H new ATOM 1104 N GLN A 71 69.767 -8.731 7.394 1.00 50.03 N ATOM 1105 CA GLN A 71 68.462 -8.095 7.201 1.00 5.34 C ATOM 1106 C GLN A 71 67.417 -9.113 6.802 1.00 62.15 C ATOM 1107 O GLN A 71 67.630 -9.890 5.901 1.00 64.52 O ATOM 1108 CB GLN A 71 68.550 -7.001 6.137 1.00 3.32 C ATOM 1109 CG GLN A 71 69.425 -5.819 6.517 1.00 21.51 C ATOM 1110 CD GLN A 71 68.852 -4.991 7.658 1.00 43.20 C ATOM 1111 OE1 GLN A 71 68.105 -4.036 7.436 1.00 23.33 O ATOM 1112 NE2 GLN A 71 69.174 -5.344 8.865 1.00 3.50 N ATOM 0 H GLN A 71 70.089 -9.277 6.595 1.00 50.03 H new ATOM 0 HA GLN A 71 68.167 -7.646 8.150 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.933 -7.439 5.215 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.545 -6.638 5.923 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.412 -6.183 6.801 1.00 21.51 H new ATOM 0 HG3 GLN A 71 69.560 -5.180 5.645 1.00 21.51 H new ATOM 0 HE21 GLN A 71 69.795 -6.139 9.015 1.00 3.50 H new ATOM 0 HE22 GLN A 71 68.806 -4.826 9.663 1.00 3.50 H new ATOM 1121 N GLN A 72 66.279 -9.065 7.444 1.00 33.03 N ATOM 1122 CA GLN A 72 65.235 -10.049 7.214 1.00 64.41 C ATOM 1123 C GLN A 72 64.358 -9.691 6.008 1.00 73.12 C ATOM 1124 O GLN A 72 63.879 -10.566 5.307 1.00 1.14 O ATOM 1125 CB GLN A 72 64.394 -10.224 8.473 1.00 2.34 C ATOM 1126 CG GLN A 72 65.213 -10.596 9.698 1.00 64.34 C ATOM 1127 CD GLN A 72 64.367 -10.815 10.915 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.084 -9.897 11.662 1.00 21.44 O ATOM 1129 NE2 GLN A 72 63.986 -12.032 11.145 1.00 52.04 N ATOM 0 H GLN A 72 66.044 -8.353 8.136 1.00 33.03 H new ATOM 0 HA GLN A 72 65.718 -10.997 6.978 1.00 64.41 H new ATOM 0 HB2 GLN A 72 63.855 -9.298 8.673 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.646 -10.997 8.297 1.00 2.34 H new ATOM 0 HG2 GLN A 72 65.782 -11.502 9.488 1.00 64.34 H new ATOM 0 HG3 GLN A 72 65.936 -9.806 9.900 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.241 -12.777 10.497 1.00 52.04 H new ATOM 0 HE22 GLN A 72 63.431 -12.245 11.974 1.00 52.04 H new ATOM 1138 N HIS A 73 64.148 -8.397 5.773 1.00 20.12 N ATOM 1139 CA HIS A 73 63.349 -7.946 4.624 1.00 23.35 C ATOM 1140 C HIS A 73 64.148 -8.008 3.329 1.00 72.14 C ATOM 1141 O HIS A 73 63.615 -7.770 2.241 1.00 10.11 O ATOM 1142 CB HIS A 73 62.736 -6.527 4.854 1.00 41.31 C ATOM 1143 CG HIS A 73 63.712 -5.384 5.004 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.002 -4.793 6.211 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.428 -4.701 4.081 1.00 65.33 C ATOM 1146 CE1 HIS A 73 64.847 -3.803 6.029 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.125 -3.725 4.744 1.00 73.14 N ATOM 0 H HIS A 73 64.515 -7.644 6.355 1.00 20.12 H new ATOM 0 HA HIS A 73 62.513 -8.639 4.527 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.074 -6.302 4.017 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.116 -6.565 5.750 1.00 41.31 H new ATOM 0 HD2 HIS A 73 64.447 -4.890 3.018 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.246 -3.162 6.802 1.00 3.33 H new ATOM 0 HE2 HIS A 73 65.756 -3.049 4.313 1.00 73.14 H new ATOM 1155 N ILE A 74 65.411 -8.334 3.452 1.00 50.14 N ATOM 1156 CA ILE A 74 66.277 -8.458 2.320 1.00 22.31 C ATOM 1157 C ILE A 74 66.581 -9.910 2.091 1.00 55.40 C ATOM 1158 O ILE A 74 66.979 -10.637 2.998 1.00 73.00 O ATOM 1159 CB ILE A 74 67.596 -7.631 2.470 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.286 -6.129 2.503 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.599 -7.944 1.355 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.549 -5.626 1.268 1.00 73.44 C ATOM 0 H ILE A 74 65.863 -8.520 4.347 1.00 50.14 H new ATOM 0 HA ILE A 74 65.758 -8.044 1.455 1.00 22.31 H new ATOM 0 HB ILE A 74 68.056 -7.921 3.415 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.686 -5.911 3.387 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.220 -5.577 2.607 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.500 -7.348 1.498 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.856 -9.003 1.384 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.155 -7.704 0.389 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.365 -4.556 1.365 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.156 -5.811 0.382 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.598 -6.150 1.173 1.00 73.44 H new ATOM 1174 N VAL A 75 66.343 -10.333 0.907 1.00 45.43 N ATOM 1175 CA VAL A 75 66.578 -11.668 0.508 1.00 24.42 C ATOM 1176 C VAL A 75 67.467 -11.593 -0.723 1.00 52.54 C ATOM 1177 O VAL A 75 67.388 -10.631 -1.471 1.00 42.31 O ATOM 1178 CB VAL A 75 65.223 -12.372 0.175 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.409 -13.808 -0.241 1.00 1.24 C ATOM 1180 CG2 VAL A 75 64.257 -12.294 1.349 1.00 11.12 C ATOM 0 H VAL A 75 65.968 -9.741 0.166 1.00 45.43 H new ATOM 0 HA VAL A 75 67.056 -12.248 1.297 1.00 24.42 H new ATOM 0 HB VAL A 75 64.798 -11.832 -0.671 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.438 -14.252 -0.461 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.038 -13.851 -1.130 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.886 -14.362 0.567 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.324 -12.792 1.086 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.698 -12.784 2.217 1.00 11.12 H new ATOM 0 HG23 VAL A 75 64.056 -11.249 1.586 1.00 11.12 H new ATOM 1190 N TYR A 76 68.366 -12.507 -0.888 1.00 5.33 N ATOM 1191 CA TYR A 76 69.173 -12.488 -2.071 1.00 2.23 C ATOM 1192 C TYR A 76 68.773 -13.596 -2.993 1.00 20.23 C ATOM 1193 O TYR A 76 68.203 -13.340 -4.047 1.00 22.13 O ATOM 1194 CB TYR A 76 70.666 -12.524 -1.753 1.00 71.42 C ATOM 1195 CG TYR A 76 71.169 -11.291 -1.044 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.359 -10.097 -1.734 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.452 -11.314 0.310 1.00 34.51 C ATOM 1198 CE1 TYR A 76 71.816 -8.964 -1.087 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.908 -10.190 0.959 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.091 -9.019 0.260 1.00 44.23 C ATOM 1201 OH TYR A 76 72.550 -7.895 0.917 1.00 11.02 O ATOM 0 H TYR A 76 68.561 -13.265 -0.234 1.00 5.33 H new ATOM 0 HA TYR A 76 68.994 -11.541 -2.580 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.875 -13.397 -1.135 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.223 -12.650 -2.682 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.146 -10.055 -2.792 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.313 -12.229 0.866 1.00 34.51 H new ATOM 0 HE1 TYR A 76 71.956 -8.043 -1.634 1.00 3.12 H new ATOM 0 HE2 TYR A 76 72.122 -10.227 2.017 1.00 53.13 H new ATOM 0 HH TYR A 76 72.694 -8.105 1.863 1.00 11.02 H new ATOM 1211 N CYS A 77 69.041 -14.845 -2.569 1.00 54.53 N ATOM 1212 CA CYS A 77 68.761 -16.027 -3.388 1.00 52.14 C ATOM 1213 C CYS A 77 69.516 -15.922 -4.720 1.00 4.33 C ATOM 1214 O CYS A 77 69.087 -16.458 -5.736 1.00 62.20 O ATOM 1215 CB CYS A 77 67.240 -16.184 -3.625 1.00 61.41 C ATOM 1216 SG CYS A 77 66.269 -16.384 -2.134 1.00 54.33 S ATOM 0 H CYS A 77 69.453 -15.056 -1.660 1.00 54.53 H new ATOM 0 HA CYS A 77 69.105 -16.915 -2.858 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.878 -15.309 -4.164 1.00 61.41 H new ATOM 0 HB3 CYS A 77 67.073 -17.047 -4.270 1.00 61.41 H new ATOM 0 HG CYS A 77 66.948 -15.952 -1.113 1.00 54.33 H new ATOM 1222 N SER A 78 70.692 -15.288 -4.667 1.00 74.53 N ATOM 1223 CA SER A 78 71.509 -15.015 -5.834 1.00 1.24 C ATOM 1224 C SER A 78 72.077 -16.309 -6.426 1.00 20.30 C ATOM 1225 O SER A 78 72.398 -16.380 -7.615 1.00 21.43 O ATOM 1226 CB SER A 78 72.658 -14.099 -5.417 1.00 41.00 C ATOM 1227 OG SER A 78 72.179 -12.997 -4.647 1.00 62.31 O ATOM 0 H SER A 78 71.101 -14.949 -3.796 1.00 74.53 H new ATOM 0 HA SER A 78 70.892 -14.538 -6.596 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.386 -14.665 -4.836 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.175 -13.731 -6.303 1.00 41.00 H new ATOM 0 HG SER A 78 71.315 -12.701 -5.002 1.00 62.31 H new ATOM 1233 N ASN A 79 72.200 -17.327 -5.596 1.00 41.54 N ATOM 1234 CA ASN A 79 72.745 -18.603 -6.035 1.00 73.42 C ATOM 1235 C ASN A 79 71.634 -19.614 -6.199 1.00 0.00 C ATOM 1236 O ASN A 79 71.880 -20.821 -6.297 1.00 53.23 O ATOM 1237 CB ASN A 79 73.808 -19.133 -5.056 1.00 72.51 C ATOM 1238 CG ASN A 79 75.016 -18.209 -4.878 1.00 60.42 C ATOM 1239 OD1 ASN A 79 75.650 -18.213 -3.830 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.345 -17.420 -5.880 1.00 12.14 N ATOM 0 H ASN A 79 71.930 -17.298 -4.613 1.00 41.54 H new ATOM 0 HA ASN A 79 73.232 -18.444 -6.997 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.342 -19.294 -4.084 1.00 72.51 H new ATOM 0 HB3 ASN A 79 74.157 -20.104 -5.407 1.00 72.51 H new ATOM 0 HD21 ASN A 79 76.145 -16.793 -5.794 1.00 12.14 H new ATOM 0 HD22 ASN A 79 74.800 -17.436 -6.742 1.00 12.14 H new ATOM 1247 N ASP A 80 70.426 -19.116 -6.257 1.00 63.10 N ATOM 1248 CA ASP A 80 69.237 -19.919 -6.449 1.00 44.31 C ATOM 1249 C ASP A 80 68.487 -19.255 -7.596 1.00 54.24 C ATOM 1250 O ASP A 80 68.913 -18.196 -8.063 1.00 62.42 O ATOM 1251 CB ASP A 80 68.374 -19.916 -5.160 1.00 54.35 C ATOM 1252 CG ASP A 80 67.249 -20.947 -5.169 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.243 -20.751 -5.873 1.00 31.11 O ATOM 1254 OD2 ASP A 80 67.367 -21.977 -4.467 1.00 51.55 O ATOM 0 H ASP A 80 70.233 -18.118 -6.170 1.00 63.10 H new ATOM 0 HA ASP A 80 69.475 -20.959 -6.670 1.00 44.31 H new ATOM 0 HB2 ASP A 80 69.019 -20.104 -4.302 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.944 -18.924 -5.024 1.00 54.35 H new ATOM 1259 N LEU A 81 67.427 -19.831 -8.071 1.00 71.31 N ATOM 1260 CA LEU A 81 66.708 -19.209 -9.141 1.00 11.32 C ATOM 1261 C LEU A 81 65.585 -18.332 -8.617 1.00 12.11 C ATOM 1262 O LEU A 81 65.010 -17.543 -9.359 1.00 75.03 O ATOM 1263 CB LEU A 81 66.157 -20.188 -10.108 1.00 25.11 C ATOM 1264 CG LEU A 81 65.794 -19.523 -11.408 1.00 40.03 C ATOM 1265 CD1 LEU A 81 66.996 -19.174 -12.245 1.00 43.44 C ATOM 1266 CD2 LEU A 81 64.807 -20.273 -12.140 1.00 21.25 C ATOM 0 H LEU A 81 67.044 -20.717 -7.742 1.00 71.31 H new ATOM 0 HA LEU A 81 67.436 -18.591 -9.667 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.889 -20.974 -10.291 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.275 -20.667 -9.682 1.00 25.11 H new ATOM 0 HG LEU A 81 65.333 -18.570 -11.147 1.00 40.03 H new ATOM 0 HD11 LEU A 81 66.670 -18.697 -13.169 1.00 43.44 H new ATOM 0 HD12 LEU A 81 67.639 -18.490 -11.691 1.00 43.44 H new ATOM 0 HD13 LEU A 81 67.551 -20.082 -12.481 1.00 43.44 H new ATOM 0 HD21 LEU A 81 64.575 -19.757 -13.071 1.00 21.25 H new ATOM 0 HD22 LEU A 81 65.197 -21.266 -12.363 1.00 21.25 H new ATOM 0 HD23 LEU A 81 63.901 -20.365 -11.540 1.00 21.25 H new ATOM 1278 N LEU A 82 65.272 -18.481 -7.345 1.00 22.23 N ATOM 1279 CA LEU A 82 64.210 -17.718 -6.690 1.00 31.14 C ATOM 1280 C LEU A 82 64.460 -16.197 -6.885 1.00 51.53 C ATOM 1281 O LEU A 82 63.542 -15.425 -7.239 1.00 75.13 O ATOM 1282 CB LEU A 82 64.193 -18.128 -5.199 1.00 51.31 C ATOM 1283 CG LEU A 82 62.939 -17.821 -4.372 1.00 44.45 C ATOM 1284 CD1 LEU A 82 63.015 -18.549 -3.049 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.785 -16.344 -4.108 1.00 64.25 C ATOM 0 H LEU A 82 65.747 -19.138 -6.726 1.00 22.23 H new ATOM 0 HA LEU A 82 63.234 -17.932 -7.125 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.369 -19.202 -5.148 1.00 51.31 H new ATOM 0 HB3 LEU A 82 65.039 -17.643 -4.712 1.00 51.31 H new ATOM 0 HG LEU A 82 62.076 -18.156 -4.947 1.00 44.45 H new ATOM 0 HD11 LEU A 82 62.123 -18.330 -2.462 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.078 -19.622 -3.227 1.00 51.52 H new ATOM 0 HD13 LEU A 82 63.899 -18.220 -2.503 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.884 -16.172 -3.519 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.653 -15.980 -3.558 1.00 64.25 H new ATOM 0 HD23 LEU A 82 62.707 -15.811 -5.056 1.00 64.25 H new ATOM 1297 N GLY A 83 65.715 -15.801 -6.734 1.00 33.33 N ATOM 1298 CA GLY A 83 66.087 -14.420 -6.931 1.00 13.41 C ATOM 1299 C GLY A 83 65.916 -14.020 -8.379 1.00 23.02 C ATOM 1300 O GLY A 83 65.351 -12.948 -8.684 1.00 63.21 O ATOM 0 H GLY A 83 66.485 -16.418 -6.477 1.00 33.33 H new ATOM 0 HA2 GLY A 83 65.474 -13.779 -6.297 1.00 13.41 H new ATOM 0 HA3 GLY A 83 67.123 -14.271 -6.628 1.00 13.41 H new ATOM 1304 N ASP A 84 66.332 -14.918 -9.286 1.00 74.23 N ATOM 1305 CA ASP A 84 66.245 -14.659 -10.719 1.00 72.30 C ATOM 1306 C ASP A 84 64.832 -14.366 -11.077 1.00 60.45 C ATOM 1307 O ASP A 84 64.582 -13.382 -11.729 1.00 21.25 O ATOM 1308 CB ASP A 84 66.755 -15.825 -11.542 1.00 32.43 C ATOM 1309 CG ASP A 84 66.601 -15.590 -13.040 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.405 -14.830 -13.618 1.00 34.12 O ATOM 1311 OD2 ASP A 84 65.670 -16.150 -13.664 1.00 12.11 O ATOM 0 H ASP A 84 66.730 -15.826 -9.046 1.00 74.23 H new ATOM 0 HA ASP A 84 66.879 -13.802 -10.946 1.00 72.30 H new ATOM 0 HB2 ASP A 84 67.806 -15.998 -11.310 1.00 32.43 H new ATOM 0 HB3 ASP A 84 66.214 -16.729 -11.261 1.00 32.43 H new ATOM 1316 N LEU A 85 63.918 -15.223 -10.567 1.00 51.32 N ATOM 1317 CA LEU A 85 62.439 -15.070 -10.676 1.00 55.15 C ATOM 1318 C LEU A 85 61.924 -13.674 -10.291 1.00 45.10 C ATOM 1319 O LEU A 85 60.935 -13.204 -10.867 1.00 62.02 O ATOM 1320 CB LEU A 85 61.713 -16.135 -9.838 1.00 35.13 C ATOM 1321 CG LEU A 85 61.265 -17.416 -10.552 1.00 61.13 C ATOM 1322 CD1 LEU A 85 62.388 -18.034 -11.339 1.00 14.13 C ATOM 1323 CD2 LEU A 85 60.738 -18.412 -9.535 1.00 34.22 C ATOM 0 H LEU A 85 64.190 -16.062 -10.055 1.00 51.32 H new ATOM 0 HA LEU A 85 62.214 -15.207 -11.734 1.00 55.15 H new ATOM 0 HB2 LEU A 85 62.369 -16.421 -9.016 1.00 35.13 H new ATOM 0 HB3 LEU A 85 60.831 -15.671 -9.396 1.00 35.13 H new ATOM 0 HG LEU A 85 60.473 -17.151 -11.253 1.00 61.13 H new ATOM 0 HD11 LEU A 85 62.032 -18.939 -11.831 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.738 -17.326 -12.091 1.00 14.13 H new ATOM 0 HD13 LEU A 85 63.209 -18.285 -10.667 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.421 -19.321 -10.046 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.525 -18.654 -8.821 1.00 34.22 H new ATOM 0 HD23 LEU A 85 59.889 -17.978 -9.007 1.00 34.22 H new ATOM 1335 N PHE A 86 62.564 -13.026 -9.313 1.00 13.22 N ATOM 1336 CA PHE A 86 62.216 -11.625 -8.946 1.00 14.21 C ATOM 1337 C PHE A 86 62.551 -10.725 -10.143 1.00 25.43 C ATOM 1338 O PHE A 86 61.937 -9.679 -10.382 1.00 74.23 O ATOM 1339 CB PHE A 86 63.059 -11.186 -7.749 1.00 60.11 C ATOM 1340 CG PHE A 86 62.541 -9.945 -7.003 1.00 12.33 C ATOM 1341 CD1 PHE A 86 62.582 -8.683 -7.578 1.00 60.04 C ATOM 1342 CD2 PHE A 86 62.029 -10.055 -5.731 1.00 61.20 C ATOM 1343 CE1 PHE A 86 62.122 -7.575 -6.903 1.00 63.23 C ATOM 1344 CE2 PHE A 86 61.563 -8.952 -5.050 1.00 21.42 C ATOM 1345 CZ PHE A 86 61.608 -7.711 -5.635 1.00 2.54 C ATOM 0 H PHE A 86 63.319 -13.432 -8.760 1.00 13.22 H new ATOM 0 HA PHE A 86 61.159 -11.555 -8.690 1.00 14.21 H new ATOM 0 HB2 PHE A 86 63.119 -12.015 -7.044 1.00 60.11 H new ATOM 0 HB3 PHE A 86 64.074 -10.986 -8.093 1.00 60.11 H new ATOM 0 HD1 PHE A 86 62.983 -8.568 -8.574 1.00 60.04 H new ATOM 0 HD2 PHE A 86 61.992 -11.025 -5.257 1.00 61.20 H new ATOM 0 HE1 PHE A 86 62.165 -6.601 -7.368 1.00 63.23 H new ATOM 0 HE2 PHE A 86 61.161 -9.064 -4.054 1.00 21.42 H new ATOM 0 HZ PHE A 86 61.242 -6.846 -5.102 1.00 2.54 H new ATOM 1355 N GLY A 87 63.486 -11.192 -10.891 1.00 24.41 N ATOM 1356 CA GLY A 87 63.948 -10.545 -12.097 1.00 31.24 C ATOM 1357 C GLY A 87 65.214 -9.821 -11.851 1.00 3.13 C ATOM 1358 O GLY A 87 65.499 -8.814 -12.505 1.00 20.13 O ATOM 0 H GLY A 87 63.976 -12.063 -10.686 1.00 24.41 H new ATOM 0 HA2 GLY A 87 64.095 -11.288 -12.881 1.00 31.24 H new ATOM 0 HA3 GLY A 87 63.189 -9.849 -12.456 1.00 31.24 H new ATOM 1362 N VAL A 88 66.001 -10.364 -10.919 1.00 0.24 N ATOM 1363 CA VAL A 88 67.267 -9.745 -10.416 1.00 65.43 C ATOM 1364 C VAL A 88 68.075 -10.756 -9.586 1.00 62.04 C ATOM 1365 O VAL A 88 67.691 -11.893 -9.502 1.00 2.43 O ATOM 1366 CB VAL A 88 67.023 -8.437 -9.572 1.00 34.42 C ATOM 1367 CG1 VAL A 88 67.041 -7.183 -10.439 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.725 -8.500 -8.810 1.00 52.45 C ATOM 0 H VAL A 88 65.789 -11.258 -10.476 1.00 0.24 H new ATOM 0 HA VAL A 88 67.836 -9.457 -11.300 1.00 65.43 H new ATOM 0 HB VAL A 88 67.848 -8.378 -8.862 1.00 34.42 H new ATOM 0 HG11 VAL A 88 66.869 -6.306 -9.815 1.00 53.13 H new ATOM 0 HG12 VAL A 88 68.010 -7.094 -10.930 1.00 53.13 H new ATOM 0 HG13 VAL A 88 66.257 -7.251 -11.193 1.00 53.13 H new ATOM 0 HG21 VAL A 88 65.592 -7.580 -8.240 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.897 -8.616 -9.510 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.745 -9.350 -8.128 1.00 52.45 H new ATOM 1378 N PRO A 89 69.264 -10.393 -9.036 1.00 11.32 N ATOM 1379 CA PRO A 89 69.978 -11.266 -8.103 1.00 74.43 C ATOM 1380 C PRO A 89 69.610 -10.974 -6.635 1.00 61.01 C ATOM 1381 O PRO A 89 70.138 -11.603 -5.716 1.00 1.24 O ATOM 1382 CB PRO A 89 71.461 -10.930 -8.357 1.00 25.13 C ATOM 1383 CG PRO A 89 71.472 -9.789 -9.340 1.00 40.51 C ATOM 1384 CD PRO A 89 70.083 -9.220 -9.366 1.00 22.11 C ATOM 0 HA PRO A 89 69.732 -12.316 -8.260 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.961 -10.650 -7.430 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.993 -11.793 -8.757 1.00 25.13 H new ATOM 0 HG2 PRO A 89 72.195 -9.029 -9.041 1.00 40.51 H new ATOM 0 HG3 PRO A 89 71.765 -10.136 -10.331 1.00 40.51 H new ATOM 0 HD2 PRO A 89 69.958 -8.418 -8.639 1.00 22.11 H new ATOM 0 HD3 PRO A 89 69.830 -8.808 -10.343 1.00 22.11 H new ATOM 1392 N SER A 90 68.724 -10.026 -6.435 1.00 72.45 N ATOM 1393 CA SER A 90 68.311 -9.610 -5.107 1.00 0.12 C ATOM 1394 C SER A 90 66.780 -9.583 -4.973 1.00 72.25 C ATOM 1395 O SER A 90 66.068 -9.376 -5.949 1.00 42.34 O ATOM 1396 CB SER A 90 68.944 -8.250 -4.786 1.00 14.22 C ATOM 1397 OG SER A 90 68.812 -7.345 -5.891 1.00 32.43 O ATOM 0 H SER A 90 68.265 -9.517 -7.190 1.00 72.45 H new ATOM 0 HA SER A 90 68.664 -10.339 -4.377 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.468 -7.823 -3.903 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.999 -8.384 -4.546 1.00 14.22 H new ATOM 0 HG SER A 90 69.222 -6.485 -5.660 1.00 32.43 H new ATOM 1403 N PHE A 91 66.288 -9.761 -3.774 1.00 22.52 N ATOM 1404 CA PHE A 91 64.872 -9.880 -3.522 1.00 23.10 C ATOM 1405 C PHE A 91 64.464 -8.998 -2.318 1.00 42.12 C ATOM 1406 O PHE A 91 65.102 -9.012 -1.266 1.00 74.32 O ATOM 1407 CB PHE A 91 64.614 -11.383 -3.275 1.00 64.21 C ATOM 1408 CG PHE A 91 63.241 -11.860 -2.907 1.00 51.33 C ATOM 1409 CD1 PHE A 91 62.571 -11.395 -1.795 1.00 4.31 C ATOM 1410 CD2 PHE A 91 62.654 -12.843 -3.657 1.00 11.25 C ATOM 1411 CE1 PHE A 91 61.350 -11.895 -1.460 1.00 61.22 C ATOM 1412 CE2 PHE A 91 61.429 -13.338 -3.323 1.00 2.33 C ATOM 1413 CZ PHE A 91 60.781 -12.869 -2.231 1.00 72.40 C ATOM 0 H PHE A 91 66.864 -9.828 -2.935 1.00 22.52 H new ATOM 0 HA PHE A 91 64.268 -9.529 -4.359 1.00 23.10 H new ATOM 0 HB2 PHE A 91 64.910 -11.915 -4.179 1.00 64.21 H new ATOM 0 HB3 PHE A 91 65.291 -11.701 -2.482 1.00 64.21 H new ATOM 0 HD1 PHE A 91 63.020 -10.626 -1.184 1.00 4.31 H new ATOM 0 HD2 PHE A 91 63.168 -13.231 -4.524 1.00 11.25 H new ATOM 0 HE1 PHE A 91 60.833 -11.523 -0.588 1.00 61.22 H new ATOM 0 HE2 PHE A 91 60.974 -14.106 -3.931 1.00 2.33 H new ATOM 0 HZ PHE A 91 59.811 -13.266 -1.968 1.00 72.40 H new ATOM 1423 N SER A 92 63.423 -8.230 -2.503 1.00 13.21 N ATOM 1424 CA SER A 92 62.871 -7.393 -1.457 1.00 63.42 C ATOM 1425 C SER A 92 61.428 -7.824 -1.164 1.00 12.35 C ATOM 1426 O SER A 92 60.571 -7.784 -2.052 1.00 65.40 O ATOM 1427 CB SER A 92 62.923 -5.933 -1.909 1.00 64.34 C ATOM 1428 OG SER A 92 64.243 -5.597 -2.335 1.00 72.34 O ATOM 0 H SER A 92 62.926 -8.163 -3.391 1.00 13.21 H new ATOM 0 HA SER A 92 63.453 -7.499 -0.542 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.218 -5.771 -2.724 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.620 -5.280 -1.091 1.00 64.34 H new ATOM 0 HG SER A 92 64.265 -4.661 -2.624 1.00 72.34 H new ATOM 1434 N VAL A 93 61.169 -8.241 0.073 1.00 15.21 N ATOM 1435 CA VAL A 93 59.846 -8.755 0.468 1.00 44.32 C ATOM 1436 C VAL A 93 58.735 -7.709 0.387 1.00 70.53 C ATOM 1437 O VAL A 93 57.581 -8.042 0.127 1.00 62.34 O ATOM 1438 CB VAL A 93 59.858 -9.371 1.886 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.765 -10.574 1.934 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.279 -8.349 2.922 1.00 71.25 C ATOM 0 H VAL A 93 61.856 -8.236 0.827 1.00 15.21 H new ATOM 0 HA VAL A 93 59.627 -9.534 -0.263 1.00 44.32 H new ATOM 0 HB VAL A 93 58.843 -9.691 2.121 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.760 -10.993 2.940 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.412 -11.324 1.226 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.780 -10.275 1.670 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.278 -8.810 3.910 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.281 -7.988 2.691 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.581 -7.512 2.912 1.00 71.25 H new ATOM 1450 N LYS A 94 59.071 -6.449 0.602 1.00 25.30 N ATOM 1451 CA LYS A 94 58.054 -5.410 0.571 1.00 34.12 C ATOM 1452 C LYS A 94 57.644 -4.980 -0.835 1.00 43.13 C ATOM 1453 O LYS A 94 56.727 -4.158 -1.004 1.00 62.22 O ATOM 1454 CB LYS A 94 58.372 -4.237 1.493 1.00 44.32 C ATOM 1455 CG LYS A 94 57.334 -4.076 2.601 1.00 11.41 C ATOM 1456 CD LYS A 94 57.245 -5.313 3.511 1.00 61.24 C ATOM 1457 CE LYS A 94 58.402 -5.397 4.499 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.330 -4.327 5.510 1.00 40.32 N ATOM 0 H LYS A 94 60.018 -6.124 0.796 1.00 25.30 H new ATOM 0 HA LYS A 94 57.161 -5.880 0.984 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.356 -4.383 1.938 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.421 -3.319 0.907 1.00 44.32 H new ATOM 0 HG2 LYS A 94 57.584 -3.203 3.204 1.00 11.41 H new ATOM 0 HG3 LYS A 94 56.358 -3.887 2.155 1.00 11.41 H new ATOM 0 HD2 LYS A 94 56.304 -5.289 4.060 1.00 61.24 H new ATOM 0 HD3 LYS A 94 57.232 -6.212 2.895 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.389 -6.368 4.994 1.00 64.21 H new ATOM 0 HE3 LYS A 94 59.347 -5.327 3.960 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 58.953 -4.562 6.309 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.635 -3.428 5.086 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.351 -4.235 5.849 1.00 40.32 H new ATOM 1472 N GLU A 95 58.261 -5.572 -1.843 1.00 41.22 N ATOM 1473 CA GLU A 95 57.832 -5.380 -3.206 1.00 25.25 C ATOM 1474 C GLU A 95 56.776 -6.397 -3.497 1.00 44.21 C ATOM 1475 O GLU A 95 56.989 -7.386 -4.205 1.00 11.24 O ATOM 1476 CB GLU A 95 58.936 -5.544 -4.179 1.00 62.12 C ATOM 1477 CG GLU A 95 59.856 -4.351 -4.339 1.00 1.24 C ATOM 1478 CD GLU A 95 59.155 -3.201 -5.049 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.435 -2.413 -4.415 1.00 35.23 O ATOM 1480 OE2 GLU A 95 59.279 -3.091 -6.284 1.00 30.24 O ATOM 0 H GLU A 95 59.064 -6.192 -1.736 1.00 41.22 H new ATOM 0 HA GLU A 95 57.461 -4.360 -3.309 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.535 -6.403 -3.879 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.505 -5.780 -5.152 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.199 -4.020 -3.359 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.740 -4.645 -4.904 1.00 1.24 H new ATOM 1487 N HIS A 96 55.674 -6.144 -2.927 1.00 61.03 N ATOM 1488 CA HIS A 96 54.511 -7.022 -2.925 1.00 22.11 C ATOM 1489 C HIS A 96 54.072 -7.349 -4.326 1.00 24.20 C ATOM 1490 O HIS A 96 53.760 -8.499 -4.616 1.00 4.12 O ATOM 1491 CB HIS A 96 53.344 -6.432 -2.113 1.00 0.11 C ATOM 1492 CG HIS A 96 53.669 -6.180 -0.666 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.292 -5.040 0.011 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.320 -6.945 0.236 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.691 -5.113 1.258 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.320 -6.265 1.427 1.00 71.43 N ATOM 0 H HIS A 96 55.516 -5.278 -2.411 1.00 61.03 H new ATOM 0 HA HIS A 96 54.815 -7.948 -2.437 1.00 22.11 H new ATOM 0 HB2 HIS A 96 53.033 -5.494 -2.573 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.495 -7.113 -2.170 1.00 0.11 H new ATOM 0 HD2 HIS A 96 54.760 -7.914 0.053 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.533 -4.361 2.017 1.00 53.21 H new ATOM 0 HE2 HIS A 96 54.736 -6.593 2.299 1.00 71.43 H new ATOM 1504 N ARG A 97 54.106 -6.346 -5.209 1.00 61.45 N ATOM 1505 CA ARG A 97 53.760 -6.527 -6.615 1.00 2.00 C ATOM 1506 C ARG A 97 54.621 -7.615 -7.226 1.00 60.51 C ATOM 1507 O ARG A 97 54.124 -8.489 -7.920 1.00 63.44 O ATOM 1508 CB ARG A 97 53.966 -5.243 -7.425 1.00 25.22 C ATOM 1509 CG ARG A 97 53.063 -4.082 -7.065 1.00 31.52 C ATOM 1510 CD ARG A 97 53.364 -2.898 -7.966 1.00 61.22 C ATOM 1511 NE ARG A 97 52.561 -1.717 -7.653 1.00 52.14 N ATOM 1512 CZ ARG A 97 52.770 -0.495 -8.179 1.00 35.43 C ATOM 1513 NH1 ARG A 97 53.780 -0.292 -9.032 1.00 32.04 N ATOM 1514 NH2 ARG A 97 51.978 0.515 -7.842 1.00 50.15 N ATOM 0 H ARG A 97 54.373 -5.392 -4.967 1.00 61.45 H new ATOM 0 HA ARG A 97 52.706 -6.801 -6.651 1.00 2.00 H new ATOM 0 HB2 ARG A 97 55.001 -4.923 -7.306 1.00 25.22 H new ATOM 0 HB3 ARG A 97 53.824 -5.475 -8.480 1.00 25.22 H new ATOM 0 HG2 ARG A 97 52.019 -4.375 -7.171 1.00 31.52 H new ATOM 0 HG3 ARG A 97 53.212 -3.804 -6.022 1.00 31.52 H new ATOM 0 HD2 ARG A 97 54.421 -2.644 -7.880 1.00 61.22 H new ATOM 0 HD3 ARG A 97 53.188 -3.185 -9.003 1.00 61.22 H new ATOM 0 HE ARG A 97 51.791 -1.826 -6.992 1.00 52.14 H new ATOM 0 HH11 ARG A 97 54.396 -1.064 -9.287 1.00 32.04 H new ATOM 0 HH12 ARG A 97 53.935 0.635 -9.428 1.00 32.04 H new ATOM 0 HH21 ARG A 97 51.212 0.365 -7.185 1.00 50.15 H new ATOM 0 HH22 ARG A 97 52.135 1.441 -8.240 1.00 50.15 H new ATOM 1528 N LYS A 98 55.907 -7.588 -6.906 1.00 3.30 N ATOM 1529 CA LYS A 98 56.860 -8.540 -7.451 1.00 1.24 C ATOM 1530 C LYS A 98 56.707 -9.869 -6.827 1.00 33.20 C ATOM 1531 O LYS A 98 56.929 -10.852 -7.479 1.00 63.32 O ATOM 1532 CB LYS A 98 58.317 -8.074 -7.355 1.00 62.12 C ATOM 1533 CG LYS A 98 58.711 -6.975 -8.334 1.00 4.31 C ATOM 1534 CD LYS A 98 57.953 -5.696 -8.087 1.00 4.22 C ATOM 1535 CE LYS A 98 58.422 -4.605 -9.025 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.935 -3.278 -8.615 1.00 63.10 N ATOM 0 H LYS A 98 56.316 -6.909 -6.264 1.00 3.30 H new ATOM 0 HA LYS A 98 56.624 -8.613 -8.513 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.502 -7.719 -6.341 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.968 -8.933 -7.516 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.781 -6.783 -8.252 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.526 -7.315 -9.353 1.00 4.31 H new ATOM 0 HD2 LYS A 98 56.886 -5.868 -8.226 1.00 4.22 H new ATOM 0 HD3 LYS A 98 58.093 -5.379 -7.054 1.00 4.22 H new ATOM 0 HE2 LYS A 98 59.512 -4.598 -9.056 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.076 -4.822 -10.035 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 58.307 -2.556 -9.265 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 56.895 -3.266 -8.642 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 58.258 -3.073 -7.648 1.00 63.10 H new ATOM 1550 N ILE A 99 56.311 -9.898 -5.569 1.00 54.20 N ATOM 1551 CA ILE A 99 56.083 -11.155 -4.885 1.00 3.41 C ATOM 1552 C ILE A 99 54.940 -11.875 -5.578 1.00 32.52 C ATOM 1553 O ILE A 99 55.072 -13.022 -5.995 1.00 34.24 O ATOM 1554 CB ILE A 99 55.717 -10.965 -3.386 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.741 -10.072 -2.654 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.591 -12.316 -2.693 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.182 -10.517 -2.768 1.00 13.25 C ATOM 0 H ILE A 99 56.141 -9.068 -5.002 1.00 54.20 H new ATOM 0 HA ILE A 99 57.009 -11.729 -4.925 1.00 3.41 H new ATOM 0 HB ILE A 99 54.753 -10.457 -3.345 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.659 -9.058 -3.044 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.473 -10.030 -1.598 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.334 -12.165 -1.644 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.809 -12.902 -3.177 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.539 -12.850 -2.761 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.821 -9.824 -2.220 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.288 -11.518 -2.349 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.477 -10.530 -3.817 1.00 13.25 H new ATOM 1569 N TYR A 100 53.836 -11.157 -5.750 1.00 43.11 N ATOM 1570 CA TYR A 100 52.655 -11.695 -6.412 1.00 15.13 C ATOM 1571 C TYR A 100 52.990 -12.132 -7.821 1.00 34.44 C ATOM 1572 O TYR A 100 52.703 -13.256 -8.208 1.00 3.54 O ATOM 1573 CB TYR A 100 51.521 -10.664 -6.482 1.00 21.14 C ATOM 1574 CG TYR A 100 51.112 -10.064 -5.151 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.127 -10.815 -3.985 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.709 -8.741 -5.068 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.756 -10.271 -2.780 1.00 62.13 C ATOM 1578 CE2 TYR A 100 50.335 -8.181 -3.868 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.357 -8.941 -2.723 1.00 51.34 C ATOM 1580 OH TYR A 100 49.978 -8.368 -1.520 1.00 40.22 O ATOM 0 H TYR A 100 53.735 -10.192 -5.436 1.00 43.11 H new ATOM 0 HA TYR A 100 52.323 -12.548 -5.820 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.826 -9.857 -7.148 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.649 -11.137 -6.933 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.437 -11.849 -4.026 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.688 -8.137 -5.963 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.774 -10.872 -1.883 1.00 62.13 H new ATOM 0 HE2 TYR A 100 50.025 -7.147 -3.826 1.00 71.11 H new ATOM 0 HH TYR A 100 50.689 -8.497 -0.858 1.00 40.22 H new ATOM 1590 N THR A 101 53.652 -11.262 -8.563 1.00 71.31 N ATOM 1591 CA THR A 101 53.954 -11.543 -9.955 1.00 4.12 C ATOM 1592 C THR A 101 55.011 -12.633 -10.137 1.00 22.22 C ATOM 1593 O THR A 101 55.032 -13.309 -11.140 1.00 14.53 O ATOM 1594 CB THR A 101 54.321 -10.279 -10.751 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.281 -9.507 -10.026 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.088 -9.439 -11.040 1.00 55.24 C ATOM 0 H THR A 101 53.989 -10.360 -8.227 1.00 71.31 H new ATOM 0 HA THR A 101 53.024 -11.933 -10.370 1.00 4.12 H new ATOM 0 HB THR A 101 54.753 -10.588 -11.703 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.816 -8.875 -9.438 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.376 -8.552 -11.604 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.377 -10.025 -11.623 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.625 -9.137 -10.101 1.00 55.24 H new ATOM 1604 N MET A 102 55.853 -12.804 -9.146 1.00 34.35 N ATOM 1605 CA MET A 102 56.905 -13.824 -9.153 1.00 63.42 C ATOM 1606 C MET A 102 56.265 -15.185 -9.076 1.00 13.22 C ATOM 1607 O MET A 102 56.656 -16.128 -9.763 1.00 73.13 O ATOM 1608 CB MET A 102 57.757 -13.632 -7.924 1.00 43.15 C ATOM 1609 CG MET A 102 59.008 -14.459 -7.842 1.00 11.42 C ATOM 1610 SD MET A 102 59.794 -14.260 -6.238 1.00 45.04 S ATOM 1611 CE MET A 102 59.834 -12.465 -6.096 1.00 54.24 C ATOM 0 H MET A 102 55.837 -12.239 -8.297 1.00 34.35 H new ATOM 0 HA MET A 102 57.506 -13.740 -10.059 1.00 63.42 H new ATOM 0 HB2 MET A 102 58.038 -12.581 -7.864 1.00 43.15 H new ATOM 0 HB3 MET A 102 57.146 -13.849 -7.048 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.768 -15.509 -8.007 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.699 -14.162 -8.631 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.327 -12.185 -5.165 1.00 54.24 H new ATOM 0 HE2 MET A 102 60.383 -12.046 -6.939 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.815 -12.077 -6.098 1.00 54.24 H new ATOM 1621 N ILE A 103 55.256 -15.260 -8.255 1.00 3.21 N ATOM 1622 CA ILE A 103 54.527 -16.475 -8.041 1.00 52.20 C ATOM 1623 C ILE A 103 53.612 -16.695 -9.233 1.00 5.52 C ATOM 1624 O ILE A 103 53.536 -17.787 -9.781 1.00 70.30 O ATOM 1625 CB ILE A 103 53.722 -16.387 -6.721 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.702 -16.145 -5.547 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.914 -17.665 -6.501 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.048 -15.818 -4.215 1.00 2.12 C ATOM 0 H ILE A 103 54.914 -14.469 -7.710 1.00 3.21 H new ATOM 0 HA ILE A 103 55.209 -17.320 -7.950 1.00 52.20 H new ATOM 0 HB ILE A 103 53.019 -15.556 -6.777 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.320 -17.034 -5.422 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.371 -15.327 -5.816 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.354 -17.586 -5.569 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.220 -17.804 -7.330 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.590 -18.518 -6.447 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.818 -15.666 -3.459 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.454 -14.910 -4.315 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.402 -16.643 -3.914 1.00 2.12 H new ATOM 1640 N TYR A 104 52.984 -15.611 -9.668 1.00 40.11 N ATOM 1641 CA TYR A 104 52.112 -15.603 -10.827 1.00 44.15 C ATOM 1642 C TYR A 104 52.853 -16.032 -12.103 1.00 13.14 C ATOM 1643 O TYR A 104 52.291 -16.702 -12.960 1.00 40.12 O ATOM 1644 CB TYR A 104 51.413 -14.236 -10.933 1.00 10.23 C ATOM 1645 CG TYR A 104 51.280 -13.664 -12.308 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.284 -12.872 -12.815 1.00 23.41 C ATOM 1647 CD2 TYR A 104 50.166 -13.902 -13.087 1.00 54.33 C ATOM 1648 CE1 TYR A 104 52.196 -12.321 -14.072 1.00 54.14 C ATOM 1649 CE2 TYR A 104 50.059 -13.360 -14.347 1.00 5.31 C ATOM 1650 CZ TYR A 104 51.076 -12.567 -14.837 1.00 60.51 C ATOM 1651 OH TYR A 104 50.975 -12.023 -16.097 1.00 1.15 O ATOM 0 H TYR A 104 53.070 -14.700 -9.216 1.00 40.11 H new ATOM 0 HA TYR A 104 51.331 -16.353 -10.703 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.416 -14.328 -10.503 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.961 -13.523 -10.318 1.00 10.23 H new ATOM 0 HD1 TYR A 104 53.160 -12.679 -12.213 1.00 23.41 H new ATOM 0 HD2 TYR A 104 49.369 -14.521 -12.703 1.00 54.33 H new ATOM 0 HE1 TYR A 104 52.995 -11.703 -14.455 1.00 54.14 H new ATOM 0 HE2 TYR A 104 49.184 -13.554 -14.949 1.00 5.31 H new ATOM 0 HH TYR A 104 50.125 -12.294 -16.503 1.00 1.15 H new ATOM 1661 N ARG A 105 54.124 -15.678 -12.176 1.00 53.53 N ATOM 1662 CA ARG A 105 55.043 -16.063 -13.261 1.00 5.51 C ATOM 1663 C ARG A 105 55.141 -17.585 -13.381 1.00 13.24 C ATOM 1664 O ARG A 105 55.454 -18.125 -14.440 1.00 2.23 O ATOM 1665 CB ARG A 105 56.435 -15.470 -12.943 1.00 24.32 C ATOM 1666 CG ARG A 105 57.604 -15.997 -13.765 1.00 13.52 C ATOM 1667 CD ARG A 105 58.903 -15.367 -13.296 1.00 62.13 C ATOM 1668 NE ARG A 105 60.092 -15.985 -13.890 1.00 23.52 N ATOM 1669 CZ ARG A 105 61.284 -15.367 -14.019 1.00 63.44 C ATOM 1670 NH1 ARG A 105 61.431 -14.099 -13.629 1.00 4.40 N ATOM 1671 NH2 ARG A 105 62.327 -16.024 -14.515 1.00 43.11 N ATOM 0 H ARG A 105 54.570 -15.097 -11.466 1.00 53.53 H new ATOM 0 HA ARG A 105 54.669 -15.679 -14.210 1.00 5.51 H new ATOM 0 HB2 ARG A 105 56.384 -14.389 -13.077 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.650 -15.651 -11.890 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.663 -17.081 -13.672 1.00 13.52 H new ATOM 0 HG3 ARG A 105 57.445 -15.776 -14.820 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.893 -14.305 -13.540 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.965 -15.444 -12.211 1.00 62.13 H new ATOM 0 HE ARG A 105 60.013 -16.944 -14.228 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.640 -13.593 -13.231 1.00 4.40 H new ATOM 0 HH12 ARG A 105 62.335 -13.636 -13.729 1.00 4.40 H new ATOM 0 HH21 ARG A 105 62.228 -16.998 -14.799 1.00 43.11 H new ATOM 0 HH22 ARG A 105 63.227 -15.554 -14.611 1.00 43.11 H new ATOM 1685 N ASN A 106 54.836 -18.257 -12.311 1.00 14.40 N ATOM 1686 CA ASN A 106 54.987 -19.687 -12.238 1.00 75.13 C ATOM 1687 C ASN A 106 53.666 -20.424 -12.260 1.00 64.35 C ATOM 1688 O ASN A 106 53.632 -21.641 -12.072 1.00 43.10 O ATOM 1689 CB ASN A 106 55.830 -20.090 -11.032 1.00 32.11 C ATOM 1690 CG ASN A 106 57.295 -19.709 -11.190 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.101 -20.482 -11.709 1.00 63.30 O ATOM 1692 ND2 ASN A 106 57.664 -18.532 -10.755 1.00 61.11 N ATOM 0 H ASN A 106 54.474 -17.830 -11.458 1.00 14.40 H new ATOM 0 HA ASN A 106 55.517 -19.988 -13.142 1.00 75.13 H new ATOM 0 HB2 ASN A 106 55.429 -19.614 -10.137 1.00 32.11 H new ATOM 0 HB3 ASN A 106 55.752 -21.167 -10.882 1.00 32.11 H new ATOM 0 HD21 ASN A 106 58.637 -18.238 -10.842 1.00 61.11 H new ATOM 0 HD22 ASN A 106 56.979 -17.908 -10.328 1.00 61.11 H new ATOM 1699 N LEU A 107 52.593 -19.709 -12.511 1.00 34.24 N ATOM 1700 CA LEU A 107 51.286 -20.321 -12.549 1.00 22.31 C ATOM 1701 C LEU A 107 50.557 -19.939 -13.827 1.00 22.33 C ATOM 1702 O LEU A 107 50.954 -19.000 -14.537 1.00 3.21 O ATOM 1703 CB LEU A 107 50.469 -19.939 -11.288 1.00 10.31 C ATOM 1704 CG LEU A 107 50.123 -18.464 -11.108 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.788 -18.108 -11.730 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.202 -18.039 -9.654 1.00 33.10 C ATOM 0 H LEU A 107 52.600 -18.705 -12.691 1.00 34.24 H new ATOM 0 HA LEU A 107 51.405 -21.404 -12.548 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.538 -20.506 -11.303 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.027 -20.266 -10.411 1.00 10.31 H new ATOM 0 HG LEU A 107 50.880 -17.896 -11.649 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.586 -17.048 -11.576 1.00 53.04 H new ATOM 0 HD12 LEU A 107 48.816 -18.320 -12.799 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.000 -18.699 -11.263 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.948 -16.982 -9.570 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.501 -18.629 -9.064 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.214 -18.200 -9.282 1.00 33.10 H new ATOM 1718 N VAL A 108 49.512 -20.656 -14.127 1.00 63.11 N ATOM 1719 CA VAL A 108 48.716 -20.364 -15.292 1.00 1.01 C ATOM 1720 C VAL A 108 47.366 -19.811 -14.889 1.00 71.42 C ATOM 1721 O VAL A 108 46.722 -20.329 -13.974 1.00 31.43 O ATOM 1722 CB VAL A 108 48.550 -21.577 -16.265 1.00 35.03 C ATOM 1723 CG1 VAL A 108 49.886 -21.960 -16.876 1.00 45.42 C ATOM 1724 CG2 VAL A 108 47.923 -22.781 -15.570 1.00 72.10 C ATOM 0 H VAL A 108 49.187 -21.453 -13.579 1.00 63.11 H new ATOM 0 HA VAL A 108 49.266 -19.607 -15.851 1.00 1.01 H new ATOM 0 HB VAL A 108 47.873 -21.264 -17.060 1.00 35.03 H new ATOM 0 HG11 VAL A 108 49.749 -22.806 -17.550 1.00 45.42 H new ATOM 0 HG12 VAL A 108 50.287 -21.114 -17.433 1.00 45.42 H new ATOM 0 HG13 VAL A 108 50.582 -22.236 -16.084 1.00 45.42 H new ATOM 0 HG21 VAL A 108 47.825 -23.601 -16.281 1.00 72.10 H new ATOM 0 HG22 VAL A 108 48.557 -23.093 -14.740 1.00 72.10 H new ATOM 0 HG23 VAL A 108 46.938 -22.510 -15.191 1.00 72.10 H new ATOM 1734 N VAL A 109 46.989 -18.729 -15.509 1.00 53.02 N ATOM 1735 CA VAL A 109 45.701 -18.102 -15.319 1.00 54.14 C ATOM 1736 C VAL A 109 45.129 -17.714 -16.653 1.00 41.24 C ATOM 1737 O VAL A 109 45.524 -16.671 -17.203 1.00 0.00 O ATOM 1738 CB VAL A 109 45.713 -16.885 -14.345 1.00 42.33 C ATOM 1739 CG1 VAL A 109 45.553 -17.351 -12.906 1.00 54.03 C ATOM 1740 CG2 VAL A 109 47.004 -16.120 -14.485 1.00 33.31 C ATOM 1741 OXT VAL A 109 44.329 -18.485 -17.198 1.00 0.00 O ATOM 0 H VAL A 109 47.582 -18.241 -16.180 1.00 53.02 H new ATOM 0 HA VAL A 109 45.066 -18.844 -14.835 1.00 54.14 H new ATOM 0 HB VAL A 109 44.877 -16.234 -14.602 1.00 42.33 H new ATOM 0 HG11 VAL A 109 45.564 -16.488 -12.241 1.00 54.03 H new ATOM 0 HG12 VAL A 109 44.606 -17.881 -12.798 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.374 -18.019 -12.647 1.00 54.03 H new ATOM 0 HG21 VAL A 109 47.001 -15.272 -13.800 1.00 33.31 H new ATOM 0 HG22 VAL A 109 47.843 -16.775 -14.248 1.00 33.31 H new ATOM 0 HG23 VAL A 109 47.104 -15.759 -15.509 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 51.343 -8.471 10.963 1.00 70.03 N ATOM 1753 CA ASP B 301 51.766 -7.204 11.581 1.00 40.31 C ATOM 1754 C ASP B 301 53.215 -7.269 12.050 1.00 43.41 C ATOM 1755 O ASP B 301 53.811 -6.277 12.486 1.00 3.22 O ATOM 1756 CB ASP B 301 50.796 -6.781 12.699 1.00 55.03 C ATOM 1757 CG ASP B 301 51.222 -5.531 13.430 1.00 52.13 C ATOM 1758 OD1 ASP B 301 51.219 -4.436 12.823 1.00 23.31 O ATOM 1759 OD2 ASP B 301 51.592 -5.625 14.628 1.00 11.23 O ATOM 0 HA ASP B 301 51.725 -6.425 10.820 1.00 40.31 H new ATOM 0 HB2 ASP B 301 49.807 -6.621 12.269 1.00 55.03 H new ATOM 0 HB3 ASP B 301 50.703 -7.597 13.416 1.00 55.03 H new ATOM 1766 N GLY B 302 53.814 -8.406 11.880 1.00 32.14 N ATOM 1767 CA GLY B 302 55.183 -8.580 12.260 1.00 10.15 C ATOM 1768 C GLY B 302 56.122 -8.141 11.161 1.00 44.11 C ATOM 1769 O GLY B 302 56.990 -8.912 10.728 1.00 74.13 O ATOM 0 H GLY B 302 53.374 -9.234 11.478 1.00 32.14 H new ATOM 0 HA2 GLY B 302 55.386 -8.007 13.165 1.00 10.15 H new ATOM 0 HA3 GLY B 302 55.365 -9.628 12.499 1.00 10.15 H new ATOM 1773 N GLY B 303 55.978 -6.885 10.747 1.00 50.33 N ATOM 1774 CA GLY B 303 56.731 -6.309 9.641 1.00 63.40 C ATOM 1775 C GLY B 303 58.172 -5.990 9.978 1.00 53.01 C ATOM 1776 O GLY B 303 58.666 -4.901 9.683 1.00 2.33 O ATOM 0 H GLY B 303 55.325 -6.231 11.178 1.00 50.33 H new ATOM 0 HA2 GLY B 303 56.710 -7.003 8.800 1.00 63.40 H new ATOM 0 HA3 GLY B 303 56.234 -5.396 9.313 1.00 63.40 H new ATOM 1780 N THR B 304 58.842 -6.927 10.573 1.00 72.21 N ATOM 1781 CA THR B 304 60.221 -6.780 10.938 1.00 53.02 C ATOM 1782 C THR B 304 60.949 -8.116 10.774 1.00 61.42 C ATOM 1783 O THR B 304 62.031 -8.170 10.190 1.00 41.25 O ATOM 1784 CB THR B 304 60.394 -6.199 12.388 1.00 73.35 C ATOM 1785 OG1 THR B 304 61.785 -6.084 12.743 1.00 53.13 O ATOM 1786 CG2 THR B 304 59.673 -7.044 13.436 1.00 11.42 C ATOM 0 H THR B 304 58.442 -7.831 10.824 1.00 72.21 H new ATOM 0 HA THR B 304 60.673 -6.052 10.264 1.00 53.02 H new ATOM 0 HB THR B 304 59.943 -5.207 12.376 1.00 73.35 H new ATOM 0 HG1 THR B 304 61.862 -5.719 13.649 1.00 53.13 H new ATOM 0 HG21 THR B 304 59.821 -6.604 14.422 1.00 11.42 H new ATOM 0 HG22 THR B 304 58.608 -7.075 13.208 1.00 11.42 H new ATOM 0 HG23 THR B 304 60.076 -8.057 13.427 1.00 11.42 H new ATOM 1794 N THR B 305 60.315 -9.194 11.206 1.00 33.52 N ATOM 1795 CA THR B 305 60.915 -10.485 11.136 1.00 3.31 C ATOM 1796 C THR B 305 60.340 -11.256 9.931 1.00 54.44 C ATOM 1797 O THR B 305 59.109 -11.292 9.731 1.00 34.54 O ATOM 1798 CB THR B 305 60.762 -11.243 12.497 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.400 -12.516 12.456 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.304 -11.407 12.899 1.00 31.13 C ATOM 0 H THR B 305 59.378 -9.183 11.609 1.00 33.52 H new ATOM 0 HA THR B 305 61.988 -10.390 10.971 1.00 3.31 H new ATOM 0 HB THR B 305 61.253 -10.628 13.251 1.00 43.20 H new ATOM 0 HG1 THR B 305 61.289 -12.965 13.320 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.246 -11.938 13.849 1.00 31.13 H new ATOM 0 HG22 THR B 305 58.843 -10.425 13.004 1.00 31.13 H new ATOM 0 HG23 THR B 305 58.777 -11.976 12.133 1.00 31.13 H new ATOM 1808 N PHE B 306 61.243 -11.871 9.155 1.00 23.43 N ATOM 1809 CA PHE B 306 60.947 -12.491 7.843 1.00 31.21 C ATOM 1810 C PHE B 306 59.739 -13.423 7.859 1.00 61.12 C ATOM 1811 O PHE B 306 58.779 -13.198 7.133 1.00 3.43 O ATOM 1812 CB PHE B 306 62.185 -13.223 7.291 1.00 53.41 C ATOM 1813 CG PHE B 306 61.979 -13.815 5.923 1.00 65.10 C ATOM 1814 CD1 PHE B 306 61.928 -13.000 4.809 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.837 -15.180 5.750 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.737 -13.528 3.555 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.645 -15.715 4.494 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.595 -14.884 3.396 1.00 41.22 C ATOM 0 H PHE B 306 62.224 -11.957 9.422 1.00 23.43 H new ATOM 0 HA PHE B 306 60.686 -11.667 7.179 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.021 -12.525 7.253 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.464 -14.018 7.983 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.040 -11.932 4.925 1.00 73.14 H new ATOM 0 HD2 PHE B 306 61.877 -15.834 6.609 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.699 -12.876 2.695 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.534 -16.782 4.371 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.444 -15.299 2.411 1.00 41.22 H new ATOM 1828 N GLU B 307 59.792 -14.419 8.717 1.00 22.24 N ATOM 1829 CA GLU B 307 58.763 -15.459 8.854 1.00 73.43 C ATOM 1830 C GLU B 307 57.355 -14.858 8.985 1.00 33.30 C ATOM 1831 O GLU B 307 56.390 -15.363 8.403 1.00 31.35 O ATOM 1832 CB GLU B 307 59.125 -16.292 10.081 1.00 34.14 C ATOM 1833 CG GLU B 307 58.179 -17.415 10.467 1.00 23.45 C ATOM 1834 CD GLU B 307 58.700 -18.151 11.681 1.00 64.23 C ATOM 1835 OE1 GLU B 307 59.077 -17.480 12.672 1.00 53.15 O ATOM 1836 OE2 GLU B 307 58.806 -19.410 11.660 1.00 13.13 O ATOM 0 H GLU B 307 60.571 -14.542 9.364 1.00 22.24 H new ATOM 0 HA GLU B 307 58.739 -16.081 7.959 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.112 -16.725 9.915 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.212 -15.617 10.933 1.00 34.14 H new ATOM 0 HG2 GLU B 307 57.189 -17.009 10.677 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.069 -18.108 9.633 1.00 23.45 H new ATOM 1843 N HIS B 308 57.268 -13.730 9.658 1.00 4.31 N ATOM 1844 CA HIS B 308 55.992 -13.101 9.896 1.00 63.23 C ATOM 1845 C HIS B 308 55.609 -12.190 8.785 1.00 43.42 C ATOM 1846 O HIS B 308 54.522 -12.312 8.228 1.00 4.03 O ATOM 1847 CB HIS B 308 55.955 -12.353 11.218 1.00 63.24 C ATOM 1848 CG HIS B 308 55.680 -13.234 12.410 1.00 24.31 C ATOM 1849 ND1 HIS B 308 56.653 -13.720 13.256 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.509 -13.699 12.896 1.00 2.42 C ATOM 1851 CE1 HIS B 308 56.097 -14.436 14.207 1.00 61.43 C ATOM 1852 NE2 HIS B 308 54.793 -14.441 14.015 1.00 65.13 N ATOM 0 H HIS B 308 58.068 -13.232 10.049 1.00 4.31 H new ATOM 0 HA HIS B 308 55.263 -13.910 9.947 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.909 -11.847 11.365 1.00 63.24 H new ATOM 0 HB3 HIS B 308 55.189 -11.580 11.165 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.529 -13.520 12.480 1.00 2.42 H new ATOM 0 HE1 HIS B 308 56.619 -14.935 15.009 1.00 61.43 H new ATOM 0 HE2 HIS B 308 54.108 -14.918 14.601 1.00 65.13 H new ATOM 1860 N LEU B 309 56.516 -11.316 8.416 1.00 64.14 N ATOM 1861 CA LEU B 309 56.233 -10.308 7.421 1.00 52.01 C ATOM 1862 C LEU B 309 55.943 -10.892 6.033 1.00 42.30 C ATOM 1863 O LEU B 309 55.196 -10.303 5.245 1.00 13.44 O ATOM 1864 CB LEU B 309 57.318 -9.205 7.413 1.00 30.00 C ATOM 1865 CG LEU B 309 58.806 -9.590 7.168 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.054 -10.156 5.791 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.707 -8.401 7.408 1.00 12.40 C ATOM 0 H LEU B 309 57.463 -11.283 8.793 1.00 64.14 H new ATOM 0 HA LEU B 309 55.300 -9.826 7.713 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.039 -8.479 6.649 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.268 -8.692 8.373 1.00 30.00 H new ATOM 0 HG LEU B 309 59.040 -10.380 7.882 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.110 -10.404 5.684 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.454 -11.056 5.654 1.00 10.42 H new ATOM 0 HD13 LEU B 309 58.777 -9.417 5.039 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.744 -8.689 7.232 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.434 -7.594 6.728 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.595 -8.061 8.438 1.00 12.40 H new ATOM 1879 N TRP B 310 56.495 -12.059 5.779 1.00 43.14 N ATOM 1880 CA TRP B 310 56.338 -12.742 4.525 1.00 14.01 C ATOM 1881 C TRP B 310 54.975 -13.411 4.465 1.00 31.23 C ATOM 1882 O TRP B 310 54.291 -13.368 3.456 1.00 14.12 O ATOM 1883 CB TRP B 310 57.479 -13.762 4.360 1.00 43.11 C ATOM 1884 CG TRP B 310 57.342 -14.646 3.177 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.896 -15.911 3.179 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.632 -14.330 1.822 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.885 -16.410 1.910 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.329 -15.468 1.058 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.114 -13.207 1.185 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.487 -15.511 -0.313 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.272 -13.243 -0.170 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.960 -14.392 -0.913 1.00 52.42 C ATOM 0 H TRP B 310 57.073 -12.563 6.452 1.00 43.14 H new ATOM 0 HA TRP B 310 56.391 -12.030 3.701 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.424 -13.224 4.289 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.531 -14.380 5.256 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.590 -16.456 4.059 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.587 -17.350 1.648 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.361 -12.318 1.746 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.244 -16.397 -0.882 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.645 -12.368 -0.682 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.100 -14.384 -1.984 1.00 52.42 H new ATOM 1903 N SER B 311 54.559 -13.955 5.577 1.00 14.42 N ATOM 1904 CA SER B 311 53.297 -14.658 5.659 1.00 14.14 C ATOM 1905 C SER B 311 52.134 -13.669 5.824 1.00 41.41 C ATOM 1906 O SER B 311 50.978 -14.062 5.952 1.00 31.14 O ATOM 1907 CB SER B 311 53.344 -15.609 6.845 1.00 42.43 C ATOM 1908 OG SER B 311 54.485 -16.459 6.768 1.00 14.24 O ATOM 0 H SER B 311 55.081 -13.926 6.453 1.00 14.42 H new ATOM 0 HA SER B 311 53.135 -15.218 4.738 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.372 -15.038 7.773 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.437 -16.212 6.869 1.00 42.43 H new ATOM 0 HG SER B 311 55.233 -16.047 7.248 1.00 14.24 H new ATOM 1914 N SER B 312 52.475 -12.408 5.906 1.00 1.11 N ATOM 1915 CA SER B 312 51.536 -11.344 6.105 1.00 11.44 C ATOM 1916 C SER B 312 51.550 -10.351 4.941 1.00 60.40 C ATOM 1917 O SER B 312 51.101 -9.198 5.099 1.00 41.34 O ATOM 1918 CB SER B 312 51.882 -10.635 7.387 1.00 21.31 C ATOM 1919 OG SER B 312 51.953 -11.555 8.464 1.00 22.34 O ATOM 0 H SER B 312 53.441 -12.089 5.834 1.00 1.11 H new ATOM 0 HA SER B 312 50.533 -11.767 6.159 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.837 -10.121 7.278 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.132 -9.873 7.601 1.00 21.31 H new ATOM 0 HG SER B 312 52.887 -11.811 8.614 1.00 22.34 H new ATOM 1925 N LEU B 313 52.050 -10.747 3.776 1.00 4.23 N ATOM 1926 CA LEU B 313 52.245 -9.745 2.748 1.00 14.51 C ATOM 1927 C LEU B 313 51.107 -9.692 1.773 1.00 52.23 C ATOM 1928 O LEU B 313 51.108 -8.887 0.835 1.00 52.02 O ATOM 1929 CB LEU B 313 53.623 -9.847 2.071 1.00 61.41 C ATOM 1930 CG LEU B 313 53.975 -11.095 1.252 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.239 -11.142 -0.085 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.456 -11.130 1.027 1.00 23.23 C ATOM 0 H LEU B 313 52.314 -11.701 3.531 1.00 4.23 H new ATOM 0 HA LEU B 313 52.242 -8.781 3.256 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.727 -8.985 1.412 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.378 -9.745 2.851 1.00 61.41 H new ATOM 0 HG LEU B 313 53.656 -11.970 1.818 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.524 -12.045 -0.625 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.163 -11.149 0.092 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.504 -10.266 -0.677 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.715 -12.015 0.445 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.763 -10.236 0.484 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.969 -11.165 1.988 1.00 23.23 H new ATOM 1944 N GLU B 314 50.134 -10.524 2.001 1.00 50.02 N ATOM 1945 CA GLU B 314 48.974 -10.561 1.198 1.00 22.11 C ATOM 1946 C GLU B 314 48.055 -9.412 1.642 1.00 24.03 C ATOM 1947 O GLU B 314 48.210 -8.898 2.756 1.00 52.11 O ATOM 1948 CB GLU B 314 48.284 -11.927 1.340 1.00 41.12 C ATOM 1949 CG GLU B 314 47.540 -12.154 2.639 1.00 31.33 C ATOM 1950 CD GLU B 314 48.370 -12.157 3.890 1.00 73.45 C ATOM 1951 OE1 GLU B 314 49.506 -12.593 3.845 1.00 13.23 O ATOM 1952 OE2 GLU B 314 47.864 -11.715 4.948 1.00 40.53 O ATOM 0 H GLU B 314 50.136 -11.201 2.764 1.00 50.02 H new ATOM 0 HA GLU B 314 49.223 -10.434 0.145 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.582 -12.047 0.515 1.00 41.12 H new ATOM 0 HB3 GLU B 314 49.038 -12.707 1.233 1.00 41.12 H new ATOM 0 HG2 GLU B 314 46.778 -11.381 2.736 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.019 -13.109 2.572 1.00 31.33 H new ATOM 1959 N PRO B 315 47.144 -8.964 0.792 1.00 10.45 N ATOM 1960 CA PRO B 315 46.232 -7.870 1.128 1.00 54.32 C ATOM 1961 C PRO B 315 45.356 -8.166 2.345 1.00 3.22 C ATOM 1962 O PRO B 315 45.523 -7.550 3.413 1.00 2.51 O ATOM 1963 CB PRO B 315 45.372 -7.696 -0.126 1.00 25.23 C ATOM 1964 CG PRO B 315 45.629 -8.892 -0.982 1.00 44.42 C ATOM 1965 CD PRO B 315 46.958 -9.447 -0.581 1.00 62.12 C ATOM 0 HA PRO B 315 46.787 -6.973 1.402 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.316 -7.624 0.134 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.634 -6.778 -0.652 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.845 -9.637 -0.847 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.630 -8.617 -2.037 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.966 -10.536 -0.626 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.753 -9.095 -1.239 1.00 62.12 H new ATOM 1973 N ASP B 316 44.488 -9.126 2.199 1.00 41.21 N ATOM 1974 CA ASP B 316 43.539 -9.481 3.217 1.00 41.22 C ATOM 1975 C ASP B 316 43.173 -10.922 3.072 1.00 10.30 C ATOM 1976 O ASP B 316 43.492 -11.718 3.976 1.00 0.00 O ATOM 1977 CB ASP B 316 42.297 -8.594 3.134 1.00 11.05 C ATOM 1978 CG ASP B 316 41.150 -9.099 3.982 1.00 61.13 C ATOM 1979 OD1 ASP B 316 41.247 -9.035 5.218 1.00 1.52 O ATOM 1980 OD2 ASP B 316 40.121 -9.555 3.429 1.00 52.21 O ATOM 1981 OXT ASP B 316 42.644 -11.298 1.993 1.00 0.00 O ATOM 0 H ASP B 316 44.418 -9.694 1.355 1.00 41.21 H new ATOM 0 HA ASP B 316 43.991 -9.325 4.197 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.557 -7.584 3.450 1.00 11.05 H new ATOM 0 HB3 ASP B 316 41.972 -8.530 2.095 1.00 11.05 H new TER 1986 ASP B 316