USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1084 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 49 GLN :FLIP amide:sc= -0.0101 F(o=-0.98!,f=0.83) USER MOD Set 1.2: B 18 THR OG1 : rot 73:sc= 0.441 USER MOD Set 1.3: B 19 ASN :FLIP amide:sc= 0.403 F(o=0.2,f=0.83) USER MOD Set 2.1: B 9 CYS SG : rot 180:sc= -4.87! USER MOD Set 2.2: B 62 GLN : amide:sc= -3.5 K(o=-8.4,f=-10!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0223 (180deg=-0.196) USER MOD Single : A 1 MET N :NH3+ -142:sc=-0.00484 (180deg=-0.249) USER MOD Single : A 2 GLN : amide:sc= -0.926 K(o=-0.93,f=-2.6!) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= -0.0165 (180deg=-0.0297) USER MOD Single : A 7 THR OG1 : rot 91:sc= 0.615 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= -1.19 (180deg=-1.19) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.0808 (180deg=-0.778) USER MOD Single : A 31 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0611 (180deg=-0.382) USER MOD Single : A 40 GLN : amide:sc= -0.826 X(o=-0.83,f=-0.96) USER MOD Single : A 41 GLN : amide:sc= 0.147 K(o=0.15,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -89:sc= 0.841 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -46:sc= 0.536 USER MOD Single : A 60 ASN : amide:sc= -0.358 K(o=-0.36,f=-1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 0.228 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 143:sc= 1.73 USER MOD Single : B 15 TYR OH : rot -101:sc= 0.462 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.742 USER MOD Single : B 32 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=-0.11) USER MOD Single : B 35 SER OG : rot -14:sc= 0.824 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot -103:sc= 0.539 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.38) USER MOD Single : B 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.062) USER MOD Single : B 58 ASN :FLIP amide:sc= -0.191 F(o=-2.8!,f=-0.19) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.417 -20.600 -3.913 1.00 15.13 N ATOM 2 CA MET A 1 -13.912 -20.198 -5.256 1.00 14.88 C ATOM 3 C MET A 1 -13.656 -18.717 -5.507 1.00 13.56 C ATOM 4 O MET A 1 -13.105 -18.341 -6.543 1.00 12.96 O ATOM 5 CB MET A 1 -15.410 -20.494 -5.375 1.00 15.67 C ATOM 6 CG MET A 1 -15.974 -20.243 -6.765 1.00 15.34 C ATOM 7 SD MET A 1 -15.356 -21.411 -7.993 1.00 16.50 S ATOM 8 CE MET A 1 -16.231 -22.903 -7.523 1.00 15.91 C ATOM 0 H1 MET A 1 -13.000 -21.551 -3.967 1.00 15.13 H new ATOM 0 H2 MET A 1 -12.695 -19.923 -3.592 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.209 -20.607 -3.239 1.00 15.13 H new ATOM 0 HA MET A 1 -13.371 -20.775 -6.006 1.00 14.88 H new ATOM 0 HB2 MET A 1 -15.589 -21.534 -5.102 1.00 15.67 H new ATOM 0 HB3 MET A 1 -15.951 -19.879 -4.656 1.00 15.67 H new ATOM 0 HG2 MET A 1 -17.062 -20.305 -6.727 1.00 15.34 H new ATOM 0 HG3 MET A 1 -15.723 -19.229 -7.076 1.00 15.34 H new ATOM 0 HE1 MET A 1 -16.136 -23.645 -8.316 1.00 15.91 H new ATOM 0 HE2 MET A 1 -15.805 -23.300 -6.601 1.00 15.91 H new ATOM 0 HE3 MET A 1 -17.285 -22.673 -7.366 1.00 15.91 H new ATOM 20 N GLN A 2 -14.053 -17.882 -4.552 1.00 13.22 N ATOM 21 CA GLN A 2 -13.872 -16.440 -4.667 1.00 12.04 C ATOM 22 C GLN A 2 -12.479 -16.031 -4.204 1.00 11.88 C ATOM 23 O GLN A 2 -11.944 -16.588 -3.246 1.00 12.64 O ATOM 24 CB GLN A 2 -14.933 -15.703 -3.844 1.00 11.89 C ATOM 25 CG GLN A 2 -14.789 -14.188 -3.874 1.00 10.95 C ATOM 26 CD GLN A 2 -15.871 -13.476 -3.081 1.00 11.15 C ATOM 27 OE1 GLN A 2 -16.266 -12.360 -3.415 1.00 10.74 O ATOM 28 NE2 GLN A 2 -16.352 -14.115 -2.019 1.00 11.94 N ATOM 0 H GLN A 2 -14.504 -18.181 -3.687 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.983 -16.167 -5.716 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -15.921 -15.972 -4.217 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.879 -16.044 -2.810 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -13.813 -13.913 -3.475 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -14.819 -13.846 -4.908 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -15.997 -15.040 -1.776 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -17.076 -13.680 -1.447 1.00 11.94 H new ATOM 37 N ILE A 3 -11.898 -15.055 -4.896 1.00 10.95 N ATOM 38 CA ILE A 3 -10.568 -14.559 -4.561 1.00 10.68 C ATOM 39 C ILE A 3 -10.468 -13.063 -4.828 1.00 9.47 C ATOM 40 O ILE A 3 -11.156 -12.529 -5.699 1.00 8.82 O ATOM 41 CB ILE A 3 -9.461 -15.291 -5.351 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.729 -15.215 -6.859 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.355 -16.741 -4.897 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.552 -15.651 -7.704 1.00 10.30 C ATOM 0 H ILE A 3 -12.330 -14.591 -5.695 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.418 -14.754 -3.499 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.511 -14.796 -5.150 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.590 -15.840 -7.099 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.995 -14.191 -7.122 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.571 -17.243 -5.463 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -9.113 -16.773 -3.835 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.306 -17.246 -5.068 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.813 -15.572 -8.759 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.695 -15.011 -7.493 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -8.299 -16.685 -7.470 1.00 10.30 H new ATOM 56 N PHE A 4 -9.608 -12.394 -4.070 1.00 9.25 N ATOM 57 CA PHE A 4 -9.410 -10.957 -4.210 1.00 8.23 C ATOM 58 C PHE A 4 -8.040 -10.655 -4.807 1.00 7.51 C ATOM 59 O PHE A 4 -7.070 -11.368 -4.545 1.00 7.97 O ATOM 60 CB PHE A 4 -9.551 -10.271 -2.849 1.00 8.76 C ATOM 61 CG PHE A 4 -10.725 -10.767 -2.050 1.00 9.63 C ATOM 62 CD1 PHE A 4 -12.020 -10.587 -2.510 1.00 9.35 C ATOM 63 CD2 PHE A 4 -10.531 -11.416 -0.839 1.00 10.81 C ATOM 64 CE1 PHE A 4 -13.100 -11.044 -1.778 1.00 10.22 C ATOM 65 CE2 PHE A 4 -11.608 -11.875 -0.104 1.00 11.64 C ATOM 66 CZ PHE A 4 -12.894 -11.689 -0.573 1.00 11.33 C ATOM 0 H PHE A 4 -9.033 -12.827 -3.347 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.173 -10.570 -4.886 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.638 -10.428 -2.275 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.652 -9.196 -3.001 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -12.187 -10.084 -3.451 1.00 9.35 H new ATOM 0 HD2 PHE A 4 -9.528 -11.564 -0.467 1.00 10.81 H new ATOM 0 HE1 PHE A 4 -14.104 -10.897 -2.147 1.00 10.22 H new ATOM 0 HE2 PHE A 4 -11.444 -12.379 0.837 1.00 11.64 H new ATOM 0 HZ PHE A 4 -13.736 -12.047 0.000 1.00 11.33 H new ATOM 76 N VAL A 5 -7.969 -9.599 -5.614 1.00 6.47 N ATOM 77 CA VAL A 5 -6.715 -9.198 -6.243 1.00 5.80 C ATOM 78 C VAL A 5 -6.531 -7.684 -6.162 1.00 4.97 C ATOM 79 O VAL A 5 -7.200 -6.922 -6.861 1.00 4.55 O ATOM 80 CB VAL A 5 -6.629 -9.665 -7.718 1.00 5.60 C ATOM 81 CG1 VAL A 5 -6.585 -11.185 -7.799 1.00 5.38 C ATOM 82 CG2 VAL A 5 -7.792 -9.124 -8.539 1.00 6.66 C ATOM 0 H VAL A 5 -8.766 -9.006 -5.847 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.911 -9.686 -5.693 1.00 5.80 H new ATOM 0 HB VAL A 5 -5.706 -9.266 -8.138 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -6.525 -11.492 -8.843 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.711 -11.553 -7.262 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -7.488 -11.600 -7.350 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.702 -9.470 -9.569 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -8.732 -9.480 -8.117 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -7.775 -8.034 -8.519 1.00 6.66 H new ATOM 92 N LYS A 6 -5.625 -7.257 -5.290 1.00 4.99 N ATOM 93 CA LYS A 6 -5.350 -5.837 -5.103 1.00 4.54 C ATOM 94 C LYS A 6 -4.512 -5.284 -6.253 1.00 3.66 C ATOM 95 O LYS A 6 -3.907 -6.037 -7.015 1.00 3.73 O ATOM 96 CB LYS A 6 -4.623 -5.615 -3.770 1.00 5.41 C ATOM 97 CG LYS A 6 -4.077 -4.203 -3.592 1.00 5.62 C ATOM 98 CD LYS A 6 -3.348 -4.044 -2.269 1.00 6.25 C ATOM 99 CE LYS A 6 -2.696 -2.674 -2.157 1.00 6.57 C ATOM 100 NZ LYS A 6 -1.908 -2.534 -0.902 1.00 6.86 N ATOM 0 H LYS A 6 -5.067 -7.875 -4.700 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.301 -5.305 -5.088 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.309 -5.834 -2.952 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -3.799 -6.325 -3.694 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -3.398 -3.970 -4.412 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -4.897 -3.487 -3.644 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.049 -4.184 -1.446 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -2.588 -4.819 -2.175 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -2.044 -2.511 -3.015 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -3.465 -1.902 -2.191 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -1.399 -1.627 -0.911 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -2.550 -2.562 -0.084 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -1.224 -3.315 -0.832 1.00 6.86 H new ATOM 114 N THR A 7 -4.497 -3.961 -6.370 1.00 3.27 N ATOM 115 CA THR A 7 -3.730 -3.282 -7.403 1.00 2.97 C ATOM 116 C THR A 7 -3.029 -2.062 -6.812 1.00 3.21 C ATOM 117 O THR A 7 -3.587 -1.371 -5.958 1.00 3.79 O ATOM 118 CB THR A 7 -4.627 -2.837 -8.577 1.00 3.37 C ATOM 119 OG1 THR A 7 -5.455 -3.927 -8.997 1.00 3.78 O ATOM 120 CG2 THR A 7 -3.790 -2.355 -9.755 1.00 3.68 C ATOM 0 H THR A 7 -5.014 -3.333 -5.754 1.00 3.27 H new ATOM 0 HA THR A 7 -2.992 -3.988 -7.785 1.00 2.97 H new ATOM 0 HB THR A 7 -5.249 -2.011 -8.233 1.00 3.37 H new ATOM 0 HG1 THR A 7 -6.304 -3.900 -8.509 1.00 3.78 H new ATOM 0 HG21 THR A 7 -4.448 -2.048 -10.568 1.00 3.68 H new ATOM 0 HG22 THR A 7 -3.178 -1.508 -9.444 1.00 3.68 H new ATOM 0 HG23 THR A 7 -3.144 -3.163 -10.097 1.00 3.68 H new ATOM 128 N LEU A 8 -1.806 -1.806 -7.263 1.00 3.26 N ATOM 129 CA LEU A 8 -1.023 -0.673 -6.772 1.00 3.74 C ATOM 130 C LEU A 8 -1.780 0.647 -6.930 1.00 4.78 C ATOM 131 O LEU A 8 -1.487 1.624 -6.240 1.00 5.48 O ATOM 132 CB LEU A 8 0.322 -0.607 -7.506 1.00 3.85 C ATOM 133 CG LEU A 8 0.243 -0.696 -9.037 1.00 3.89 C ATOM 134 CD1 LEU A 8 -0.033 0.671 -9.650 1.00 4.36 C ATOM 135 CD2 LEU A 8 1.528 -1.288 -9.601 1.00 4.09 C ATOM 0 H LEU A 8 -1.332 -2.368 -7.970 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.845 -0.825 -5.707 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.817 0.327 -7.239 1.00 3.85 H new ATOM 0 HB3 LEU A 8 0.954 -1.418 -7.144 1.00 3.85 H new ATOM 0 HG LEU A 8 -0.586 -1.354 -9.297 1.00 3.89 H new ATOM 0 HD11 LEU A 8 -0.084 0.580 -10.735 1.00 4.36 H new ATOM 0 HD12 LEU A 8 -0.981 1.054 -9.273 1.00 4.36 H new ATOM 0 HD13 LEU A 8 0.769 1.359 -9.381 1.00 4.36 H new ATOM 0 HD21 LEU A 8 1.456 -1.345 -10.687 1.00 4.09 H new ATOM 0 HD22 LEU A 8 2.372 -0.655 -9.325 1.00 4.09 H new ATOM 0 HD23 LEU A 8 1.677 -2.288 -9.195 1.00 4.09 H new ATOM 147 N THR A 9 -2.751 0.667 -7.840 1.00 5.08 N ATOM 148 CA THR A 9 -3.551 1.865 -8.081 1.00 6.24 C ATOM 149 C THR A 9 -4.492 2.126 -6.909 1.00 6.58 C ATOM 150 O THR A 9 -4.698 3.272 -6.510 1.00 7.61 O ATOM 151 CB THR A 9 -4.376 1.736 -9.379 1.00 6.63 C ATOM 152 OG1 THR A 9 -3.516 1.387 -10.470 1.00 5.90 O ATOM 153 CG2 THR A 9 -5.103 3.036 -9.697 1.00 7.65 C ATOM 0 H THR A 9 -3.003 -0.132 -8.422 1.00 5.08 H new ATOM 0 HA THR A 9 -2.861 2.702 -8.186 1.00 6.24 H new ATOM 0 HB THR A 9 -5.119 0.952 -9.233 1.00 6.63 H new ATOM 0 HG1 THR A 9 -4.045 1.305 -11.291 1.00 5.90 H new ATOM 0 HG21 THR A 9 -5.676 2.917 -10.616 1.00 7.65 H new ATOM 0 HG22 THR A 9 -5.778 3.285 -8.878 1.00 7.65 H new ATOM 0 HG23 THR A 9 -4.376 3.838 -9.824 1.00 7.65 H new ATOM 161 N GLY A 10 -5.060 1.049 -6.364 1.00 5.95 N ATOM 162 CA GLY A 10 -5.971 1.170 -5.237 1.00 6.60 C ATOM 163 C GLY A 10 -7.275 0.424 -5.450 1.00 6.46 C ATOM 164 O GLY A 10 -8.134 0.403 -4.567 1.00 7.08 O ATOM 0 H GLY A 10 -4.904 0.093 -6.685 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.483 0.790 -4.339 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.186 2.224 -5.061 1.00 6.60 H new ATOM 168 N LYS A 11 -7.423 -0.189 -6.622 1.00 5.81 N ATOM 169 CA LYS A 11 -8.641 -0.927 -6.953 1.00 5.70 C ATOM 170 C LYS A 11 -8.476 -2.430 -6.743 1.00 5.01 C ATOM 171 O LYS A 11 -7.518 -3.037 -7.225 1.00 4.26 O ATOM 172 CB LYS A 11 -9.055 -0.646 -8.401 1.00 5.63 C ATOM 173 CG LYS A 11 -10.335 -1.357 -8.824 1.00 5.81 C ATOM 174 CD LYS A 11 -11.508 -0.988 -7.926 1.00 6.13 C ATOM 175 CE LYS A 11 -12.799 -1.641 -8.394 1.00 6.58 C ATOM 176 NZ LYS A 11 -13.945 -1.308 -7.502 1.00 6.35 N ATOM 0 H LYS A 11 -6.716 -0.190 -7.358 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.422 -0.582 -6.276 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -9.188 0.428 -8.529 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -8.246 -0.949 -9.066 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -10.571 -1.098 -9.856 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -10.179 -2.435 -8.794 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -11.294 -1.296 -6.902 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -11.631 0.095 -7.914 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -13.023 -1.315 -9.410 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -12.667 -2.723 -8.428 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -14.806 -1.772 -7.855 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -13.743 -1.641 -6.538 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -14.087 -0.278 -7.490 1.00 6.35 H new ATOM 190 N THR A 12 -9.426 -3.017 -6.016 1.00 5.57 N ATOM 191 CA THR A 12 -9.428 -4.452 -5.751 1.00 5.50 C ATOM 192 C THR A 12 -10.484 -5.127 -6.619 1.00 5.42 C ATOM 193 O THR A 12 -11.601 -4.625 -6.745 1.00 6.02 O ATOM 194 CB THR A 12 -9.712 -4.758 -4.267 1.00 6.58 C ATOM 195 OG1 THR A 12 -8.819 -4.008 -3.433 1.00 6.95 O ATOM 196 CG2 THR A 12 -9.550 -6.244 -3.976 1.00 6.85 C ATOM 0 H THR A 12 -10.209 -2.515 -5.598 1.00 5.57 H new ATOM 0 HA THR A 12 -8.438 -4.839 -5.990 1.00 5.50 H new ATOM 0 HB THR A 12 -10.742 -4.471 -4.053 1.00 6.58 H new ATOM 0 HG1 THR A 12 -9.006 -4.206 -2.492 1.00 6.95 H new ATOM 0 HG21 THR A 12 -9.756 -6.433 -2.922 1.00 6.85 H new ATOM 0 HG22 THR A 12 -10.248 -6.813 -4.590 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.530 -6.551 -4.207 1.00 6.85 H new ATOM 204 N ILE A 13 -10.130 -6.262 -7.216 1.00 4.88 N ATOM 205 CA ILE A 13 -11.053 -6.983 -8.087 1.00 5.00 C ATOM 206 C ILE A 13 -11.363 -8.373 -7.543 1.00 5.65 C ATOM 207 O ILE A 13 -10.562 -8.965 -6.821 1.00 5.97 O ATOM 208 CB ILE A 13 -10.496 -7.106 -9.524 1.00 4.65 C ATOM 209 CG1 ILE A 13 -10.203 -5.719 -10.112 1.00 4.64 C ATOM 210 CG2 ILE A 13 -11.471 -7.865 -10.416 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.840 -5.172 -9.742 1.00 5.04 C ATOM 0 H ILE A 13 -9.215 -6.701 -7.113 1.00 4.88 H new ATOM 0 HA ILE A 13 -11.975 -6.402 -8.115 1.00 5.00 H new ATOM 0 HB ILE A 13 -9.562 -7.666 -9.479 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -10.280 -5.772 -11.198 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -10.968 -5.022 -9.772 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -11.060 -7.940 -11.423 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.630 -8.865 -10.013 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -12.422 -7.333 -10.451 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -8.707 -4.189 -10.195 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -8.765 -5.085 -8.658 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -8.066 -5.847 -10.107 1.00 5.04 H new ATOM 223 N THR A 14 -12.545 -8.876 -7.890 1.00 6.06 N ATOM 224 CA THR A 14 -12.979 -10.198 -7.458 1.00 6.90 C ATOM 225 C THR A 14 -12.980 -11.170 -8.636 1.00 7.04 C ATOM 226 O THR A 14 -13.449 -10.833 -9.724 1.00 6.70 O ATOM 227 CB THR A 14 -14.388 -10.153 -6.835 1.00 7.48 C ATOM 228 OG1 THR A 14 -14.447 -9.135 -5.828 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.753 -11.498 -6.221 1.00 8.28 C ATOM 0 H THR A 14 -13.222 -8.383 -8.473 1.00 6.06 H new ATOM 0 HA THR A 14 -12.274 -10.541 -6.700 1.00 6.90 H new ATOM 0 HB THR A 14 -15.102 -9.925 -7.626 1.00 7.48 H new ATOM 0 HG1 THR A 14 -15.346 -9.112 -5.438 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.752 -11.441 -5.788 1.00 8.28 H new ATOM 0 HG22 THR A 14 -14.736 -12.267 -6.993 1.00 8.28 H new ATOM 0 HG23 THR A 14 -14.033 -11.750 -5.442 1.00 8.28 H new ATOM 237 N LEU A 15 -12.450 -12.372 -8.415 1.00 7.82 N ATOM 238 CA LEU A 15 -12.388 -13.387 -9.463 1.00 8.34 C ATOM 239 C LEU A 15 -12.812 -14.750 -8.921 1.00 9.47 C ATOM 240 O LEU A 15 -12.690 -15.016 -7.725 1.00 10.02 O ATOM 241 CB LEU A 15 -10.973 -13.465 -10.047 1.00 8.35 C ATOM 242 CG LEU A 15 -10.800 -14.442 -11.215 1.00 8.95 C ATOM 243 CD1 LEU A 15 -11.674 -14.035 -12.393 1.00 8.50 C ATOM 244 CD2 LEU A 15 -9.338 -14.514 -11.636 1.00 9.28 C ATOM 0 H LEU A 15 -12.058 -12.666 -7.520 1.00 7.82 H new ATOM 0 HA LEU A 15 -13.079 -13.102 -10.256 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.680 -12.470 -10.381 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -10.284 -13.750 -9.251 1.00 8.35 H new ATOM 0 HG LEU A 15 -11.115 -15.431 -10.883 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -11.535 -14.742 -13.211 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -12.720 -14.035 -12.087 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -11.393 -13.036 -12.726 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -9.232 -15.212 -12.466 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -9.000 -13.526 -11.948 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -8.734 -14.856 -10.796 1.00 9.28 H new ATOM 256 N GLU A 16 -13.309 -15.611 -9.810 1.00 9.94 N ATOM 257 CA GLU A 16 -13.760 -16.946 -9.421 1.00 11.04 C ATOM 258 C GLU A 16 -12.983 -18.035 -10.168 1.00 11.87 C ATOM 259 O GLU A 16 -13.281 -18.336 -11.326 1.00 12.00 O ATOM 260 CB GLU A 16 -15.259 -17.098 -9.696 1.00 11.14 C ATOM 261 CG GLU A 16 -16.115 -15.992 -9.093 1.00 10.90 C ATOM 262 CD GLU A 16 -15.906 -15.832 -7.598 1.00 11.52 C ATOM 263 OE1 GLU A 16 -16.217 -16.782 -6.848 1.00 11.47 O ATOM 264 OE2 GLU A 16 -15.432 -14.756 -7.176 1.00 12.19 O ATOM 0 H GLU A 16 -13.409 -15.407 -10.804 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.573 -17.064 -8.354 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.420 -17.121 -10.774 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -15.594 -18.058 -9.303 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -15.885 -15.050 -9.590 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -17.166 -16.206 -9.287 1.00 10.90 H new ATOM 271 N VAL A 17 -11.985 -18.621 -9.500 1.00 12.56 N ATOM 272 CA VAL A 17 -11.169 -19.681 -10.100 1.00 13.49 C ATOM 273 C VAL A 17 -10.652 -20.662 -9.040 1.00 14.65 C ATOM 274 O VAL A 17 -9.828 -20.299 -8.200 1.00 14.73 O ATOM 275 CB VAL A 17 -9.964 -19.103 -10.881 1.00 13.20 C ATOM 276 CG1 VAL A 17 -10.421 -18.472 -12.190 1.00 12.43 C ATOM 277 CG2 VAL A 17 -9.205 -18.089 -10.035 1.00 12.71 C ATOM 0 H VAL A 17 -11.723 -18.380 -8.544 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.820 -20.213 -10.794 1.00 13.49 H new ATOM 0 HB VAL A 17 -9.288 -19.926 -11.115 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -9.558 -18.072 -12.722 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -10.910 -19.226 -12.806 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -11.123 -17.665 -11.979 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.363 -17.697 -10.605 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.871 -17.271 -9.763 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -8.837 -18.573 -9.130 1.00 12.71 H new ATOM 287 N GLU A 18 -11.150 -21.905 -9.073 1.00 15.63 N ATOM 288 CA GLU A 18 -10.752 -22.947 -8.117 1.00 16.83 C ATOM 289 C GLU A 18 -9.236 -23.146 -8.000 1.00 17.34 C ATOM 290 O GLU A 18 -8.463 -22.669 -8.830 1.00 16.99 O ATOM 291 CB GLU A 18 -11.418 -24.270 -8.506 1.00 17.72 C ATOM 292 CG GLU A 18 -12.884 -24.356 -8.111 1.00 17.49 C ATOM 293 CD GLU A 18 -13.087 -24.347 -6.606 1.00 17.64 C ATOM 294 OE1 GLU A 18 -12.989 -25.428 -5.988 1.00 18.57 O ATOM 295 OE2 GLU A 18 -13.341 -23.261 -6.046 1.00 16.92 O ATOM 0 H GLU A 18 -11.837 -22.216 -9.760 1.00 15.63 H new ATOM 0 HA GLU A 18 -11.087 -22.610 -7.136 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -11.333 -24.406 -9.584 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -10.876 -25.091 -8.037 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -13.424 -23.518 -8.551 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -13.315 -25.267 -8.526 1.00 17.49 H new ATOM 302 N PRO A 19 -8.809 -23.875 -6.940 1.00 18.22 N ATOM 303 CA PRO A 19 -7.390 -24.164 -6.664 1.00 18.80 C ATOM 304 C PRO A 19 -6.688 -24.938 -7.780 1.00 19.40 C ATOM 305 O PRO A 19 -5.485 -24.780 -7.985 1.00 19.49 O ATOM 306 CB PRO A 19 -7.430 -25.011 -5.386 1.00 19.89 C ATOM 307 CG PRO A 19 -8.747 -24.706 -4.764 1.00 19.55 C ATOM 308 CD PRO A 19 -9.687 -24.457 -5.907 1.00 18.79 C ATOM 0 HA PRO A 19 -6.822 -23.238 -6.574 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.337 -26.073 -5.613 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -6.609 -24.755 -4.717 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -9.091 -25.537 -4.148 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -8.681 -23.833 -4.114 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -10.158 -25.378 -6.250 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.489 -23.774 -5.628 1.00 18.79 H new ATOM 316 N SER A 20 -7.438 -25.774 -8.494 1.00 19.87 N ATOM 317 CA SER A 20 -6.873 -26.580 -9.577 1.00 20.59 C ATOM 318 C SER A 20 -6.734 -25.769 -10.868 1.00 19.81 C ATOM 319 O SER A 20 -6.859 -26.313 -11.966 1.00 20.40 O ATOM 320 CB SER A 20 -7.747 -27.813 -9.819 1.00 21.46 C ATOM 321 OG SER A 20 -7.854 -28.601 -8.647 1.00 21.29 O ATOM 0 H SER A 20 -8.437 -25.912 -8.344 1.00 19.87 H new ATOM 0 HA SER A 20 -5.875 -26.897 -9.276 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.740 -27.501 -10.143 1.00 21.46 H new ATOM 0 HB3 SER A 20 -7.322 -28.411 -10.625 1.00 21.46 H new ATOM 0 HG SER A 20 -8.419 -29.381 -8.828 1.00 21.29 H new ATOM 327 N ASP A 21 -6.463 -24.473 -10.729 1.00 18.56 N ATOM 328 CA ASP A 21 -6.298 -23.591 -11.884 1.00 17.80 C ATOM 329 C ASP A 21 -4.897 -22.989 -11.913 1.00 17.76 C ATOM 330 O ASP A 21 -4.445 -22.399 -10.931 1.00 17.65 O ATOM 331 CB ASP A 21 -7.343 -22.471 -11.859 1.00 16.48 C ATOM 332 CG ASP A 21 -8.740 -22.975 -12.165 1.00 16.21 C ATOM 333 OD1 ASP A 21 -9.436 -23.412 -11.224 1.00 16.77 O ATOM 334 OD2 ASP A 21 -9.140 -22.932 -13.347 1.00 15.53 O ATOM 0 H ASP A 21 -6.353 -24.009 -9.827 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.439 -24.189 -12.784 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -7.338 -21.996 -10.878 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.069 -21.706 -12.585 1.00 16.48 H new ATOM 339 N THR A 22 -4.216 -23.142 -13.046 1.00 17.95 N ATOM 340 CA THR A 22 -2.862 -22.615 -13.209 1.00 18.00 C ATOM 341 C THR A 22 -2.853 -21.092 -13.144 1.00 16.68 C ATOM 342 O THR A 22 -3.819 -20.441 -13.537 1.00 15.89 O ATOM 343 CB THR A 22 -2.242 -23.062 -14.547 1.00 18.92 C ATOM 344 OG1 THR A 22 -3.038 -22.588 -15.639 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.129 -24.579 -14.617 1.00 20.15 C ATOM 0 H THR A 22 -4.580 -23.627 -13.866 1.00 17.95 H new ATOM 0 HA THR A 22 -2.267 -23.016 -12.388 1.00 18.00 H new ATOM 0 HB THR A 22 -1.241 -22.637 -14.615 1.00 18.92 H new ATOM 0 HG1 THR A 22 -2.636 -22.875 -16.485 1.00 19.12 H new ATOM 0 HG21 THR A 22 -1.688 -24.867 -15.571 1.00 20.15 H new ATOM 0 HG22 THR A 22 -1.497 -24.935 -13.803 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.121 -25.022 -14.526 1.00 20.15 H new ATOM 353 N ILE A 23 -1.753 -20.530 -12.647 1.00 16.47 N ATOM 354 CA ILE A 23 -1.618 -19.082 -12.530 1.00 15.26 C ATOM 355 C ILE A 23 -1.767 -18.411 -13.890 1.00 15.04 C ATOM 356 O ILE A 23 -2.353 -17.334 -13.998 1.00 14.00 O ATOM 357 CB ILE A 23 -0.258 -18.689 -11.915 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.028 -19.438 -10.596 1.00 15.58 C ATOM 359 CG2 ILE A 23 -0.184 -17.184 -11.695 1.00 14.03 C ATOM 360 CD1 ILE A 23 -1.124 -19.228 -9.573 1.00 14.76 C ATOM 0 H ILE A 23 -0.943 -21.056 -12.319 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.414 -18.739 -11.869 1.00 15.26 H new ATOM 0 HB ILE A 23 0.529 -18.972 -12.614 1.00 15.26 H new ATOM 0 HG12 ILE A 23 0.061 -20.504 -10.805 1.00 15.58 H new ATOM 0 HG13 ILE A 23 0.922 -19.117 -10.168 1.00 15.58 H new ATOM 0 HG21 ILE A 23 0.782 -16.927 -11.261 1.00 14.03 H new ATOM 0 HG22 ILE A 23 -0.301 -16.671 -12.649 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.980 -16.876 -11.017 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -0.890 -19.789 -8.668 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -1.199 -18.167 -9.333 1.00 14.76 H new ATOM 0 HD13 ILE A 23 -2.073 -19.576 -9.980 1.00 14.76 H new ATOM 372 N GLU A 24 -1.234 -19.055 -14.926 1.00 16.12 N ATOM 373 CA GLU A 24 -1.320 -18.526 -16.284 1.00 16.23 C ATOM 374 C GLU A 24 -2.778 -18.420 -16.713 1.00 15.75 C ATOM 375 O GLU A 24 -3.180 -17.446 -17.350 1.00 15.19 O ATOM 376 CB GLU A 24 -0.544 -19.419 -17.258 1.00 17.64 C ATOM 377 CG GLU A 24 -0.983 -20.874 -17.242 1.00 17.99 C ATOM 378 CD GLU A 24 -0.078 -21.760 -18.077 1.00 19.37 C ATOM 379 OE1 GLU A 24 1.036 -22.079 -17.610 1.00 19.87 O ATOM 380 OE2 GLU A 24 -0.483 -22.135 -19.199 1.00 19.99 O ATOM 0 H GLU A 24 -0.738 -19.943 -14.850 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.875 -17.531 -16.299 1.00 16.23 H new ATOM 0 HB2 GLU A 24 -0.660 -19.026 -18.268 1.00 17.64 H new ATOM 0 HB3 GLU A 24 0.518 -19.367 -17.016 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -0.994 -21.236 -16.214 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -2.004 -20.947 -17.616 1.00 17.99 H new ATOM 387 N ASN A 25 -3.566 -19.433 -16.352 1.00 16.04 N ATOM 388 CA ASN A 25 -4.986 -19.448 -16.676 1.00 15.65 C ATOM 389 C ASN A 25 -5.690 -18.301 -15.962 1.00 14.26 C ATOM 390 O ASN A 25 -6.519 -17.605 -16.548 1.00 13.66 O ATOM 391 CB ASN A 25 -5.616 -20.787 -16.274 1.00 16.38 C ATOM 392 CG ASN A 25 -7.132 -20.765 -16.352 1.00 16.31 C ATOM 393 OD1 ASN A 25 -7.810 -20.463 -15.370 1.00 16.31 O ATOM 394 ND2 ASN A 25 -7.669 -21.082 -17.524 1.00 16.35 N ATOM 0 H ASN A 25 -3.242 -20.251 -15.836 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.101 -19.324 -17.753 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.234 -21.574 -16.924 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -5.312 -21.037 -15.258 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -8.683 -21.082 -17.637 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -7.068 -21.326 -18.311 1.00 16.35 H new ATOM 401 N VAL A 26 -5.350 -18.113 -14.689 1.00 13.80 N ATOM 402 CA VAL A 26 -5.932 -17.042 -13.890 1.00 12.52 C ATOM 403 C VAL A 26 -5.599 -15.684 -14.497 1.00 11.74 C ATOM 404 O VAL A 26 -6.446 -14.793 -14.548 1.00 10.85 O ATOM 405 CB VAL A 26 -5.432 -17.089 -12.429 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.986 -15.917 -11.630 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.813 -18.411 -11.777 1.00 13.28 C ATOM 0 H VAL A 26 -4.673 -18.690 -14.190 1.00 13.80 H new ATOM 0 HA VAL A 26 -7.012 -17.186 -13.889 1.00 12.52 H new ATOM 0 HB VAL A 26 -4.345 -17.010 -12.437 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -5.621 -15.971 -10.604 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.659 -14.981 -12.083 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -7.075 -15.959 -11.630 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -5.453 -18.427 -10.748 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.897 -18.521 -11.783 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -5.362 -19.234 -12.332 1.00 13.28 H new ATOM 417 N LYS A 27 -4.358 -15.534 -14.960 1.00 12.21 N ATOM 418 CA LYS A 27 -3.916 -14.287 -15.575 1.00 11.77 C ATOM 419 C LYS A 27 -4.717 -14.005 -16.839 1.00 11.96 C ATOM 420 O LYS A 27 -4.914 -12.850 -17.214 1.00 11.29 O ATOM 421 CB LYS A 27 -2.420 -14.340 -15.894 1.00 12.57 C ATOM 422 CG LYS A 27 -1.530 -14.222 -14.666 1.00 12.29 C ATOM 423 CD LYS A 27 -0.057 -14.183 -15.044 1.00 13.09 C ATOM 424 CE LYS A 27 0.835 -14.035 -13.820 1.00 12.80 C ATOM 425 NZ LYS A 27 0.522 -12.802 -13.047 1.00 13.67 N ATOM 0 H LYS A 27 -3.643 -16.261 -14.920 1.00 12.21 H new ATOM 0 HA LYS A 27 -4.087 -13.477 -14.866 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -2.199 -15.278 -16.404 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -2.176 -13.535 -16.588 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.789 -13.318 -14.114 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.713 -15.066 -14.001 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.206 -15.096 -15.578 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.122 -13.352 -15.727 1.00 13.09 H new ATOM 0 HE2 LYS A 27 0.715 -14.906 -13.176 1.00 12.80 H new ATOM 0 HE3 LYS A 27 1.879 -14.011 -14.133 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 1.152 -12.740 -12.222 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 0.661 -11.968 -13.652 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 -0.467 -12.835 -12.726 1.00 13.67 H new ATOM 439 N ALA A 28 -5.174 -15.072 -17.494 1.00 12.96 N ATOM 440 CA ALA A 28 -5.977 -14.939 -18.703 1.00 13.31 C ATOM 441 C ALA A 28 -7.351 -14.392 -18.348 1.00 12.36 C ATOM 442 O ALA A 28 -7.910 -13.568 -19.070 1.00 12.18 O ATOM 443 CB ALA A 28 -6.101 -16.277 -19.417 1.00 14.55 C ATOM 0 H ALA A 28 -5.001 -16.035 -17.206 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.482 -14.242 -19.380 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.704 -16.155 -20.317 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -5.109 -16.636 -19.691 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.579 -17.000 -18.755 1.00 14.55 H new ATOM 449 N LYS A 29 -7.880 -14.855 -17.215 1.00 11.88 N ATOM 450 CA LYS A 29 -9.184 -14.409 -16.735 1.00 11.02 C ATOM 451 C LYS A 29 -9.125 -12.924 -16.405 1.00 9.90 C ATOM 452 O LYS A 29 -9.999 -12.152 -16.801 1.00 9.41 O ATOM 453 CB LYS A 29 -9.603 -15.208 -15.496 1.00 10.98 C ATOM 454 CG LYS A 29 -9.732 -16.705 -15.743 1.00 12.12 C ATOM 455 CD LYS A 29 -10.914 -17.036 -16.645 1.00 12.25 C ATOM 456 CE LYS A 29 -12.246 -16.776 -15.953 1.00 13.42 C ATOM 457 NZ LYS A 29 -12.390 -17.572 -14.703 1.00 13.70 N ATOM 0 H LYS A 29 -7.423 -15.540 -16.613 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.924 -14.576 -17.517 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -8.873 -15.042 -14.704 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -10.558 -14.826 -15.135 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -8.814 -17.078 -16.197 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -9.848 -17.221 -14.790 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -10.855 -16.439 -17.555 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -10.859 -18.082 -16.946 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -12.332 -15.715 -15.719 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -13.062 -17.019 -16.634 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -13.399 -17.725 -14.503 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -11.917 -18.491 -14.820 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -11.955 -17.057 -13.911 1.00 13.70 H new ATOM 471 N ILE A 30 -8.085 -12.533 -15.668 1.00 9.57 N ATOM 472 CA ILE A 30 -7.890 -11.137 -15.299 1.00 8.57 C ATOM 473 C ILE A 30 -7.717 -10.282 -16.551 1.00 8.97 C ATOM 474 O ILE A 30 -8.235 -9.173 -16.630 1.00 8.49 O ATOM 475 CB ILE A 30 -6.662 -10.959 -14.378 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.850 -11.757 -13.082 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.435 -9.482 -14.069 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.640 -11.736 -12.172 1.00 8.06 C ATOM 0 H ILE A 30 -7.366 -13.166 -15.316 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.776 -10.814 -14.752 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.781 -11.340 -14.895 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.707 -11.357 -12.541 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -7.086 -12.791 -13.334 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.566 -9.376 -13.419 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.262 -8.938 -14.998 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.314 -9.076 -13.569 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.848 -12.321 -11.276 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.784 -12.164 -12.694 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.415 -10.708 -11.889 1.00 8.06 H new ATOM 490 N GLN A 31 -6.974 -10.804 -17.524 1.00 10.07 N ATOM 491 CA GLN A 31 -6.749 -10.099 -18.782 1.00 10.78 C ATOM 492 C GLN A 31 -8.063 -9.902 -19.540 1.00 10.96 C ATOM 493 O GLN A 31 -8.229 -8.929 -20.273 1.00 11.22 O ATOM 494 CB GLN A 31 -5.755 -10.873 -19.653 1.00 12.02 C ATOM 495 CG GLN A 31 -5.526 -10.254 -21.025 1.00 12.96 C ATOM 496 CD GLN A 31 -4.623 -11.098 -21.906 1.00 14.24 C ATOM 497 OE1 GLN A 31 -4.587 -12.323 -21.788 1.00 14.59 O ATOM 498 NE2 GLN A 31 -3.888 -10.444 -22.800 1.00 15.04 N ATOM 0 H GLN A 31 -6.517 -11.714 -17.465 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.333 -9.118 -18.551 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -4.801 -10.936 -19.130 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -6.117 -11.893 -19.781 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -6.486 -10.117 -21.522 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -5.086 -9.264 -20.903 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -3.948 -9.428 -22.864 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -3.264 -10.958 -23.422 1.00 15.04 H new ATOM 507 N ASP A 32 -8.991 -10.836 -19.356 1.00 10.94 N ATOM 508 CA ASP A 32 -10.290 -10.763 -20.021 1.00 11.14 C ATOM 509 C ASP A 32 -11.146 -9.647 -19.431 1.00 10.25 C ATOM 510 O ASP A 32 -11.894 -8.981 -20.148 1.00 10.60 O ATOM 511 CB ASP A 32 -11.034 -12.099 -19.911 1.00 11.35 C ATOM 512 CG ASP A 32 -10.353 -13.218 -20.680 1.00 11.58 C ATOM 513 OD1 ASP A 32 -9.942 -12.982 -21.836 1.00 10.94 O ATOM 514 OD2 ASP A 32 -10.233 -14.331 -20.126 1.00 12.47 O ATOM 0 H ASP A 32 -8.870 -11.650 -18.754 1.00 10.94 H new ATOM 0 HA ASP A 32 -10.109 -10.545 -21.073 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -11.111 -12.381 -18.861 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -12.051 -11.975 -20.284 1.00 11.35 H new ATOM 519 N LYS A 33 -11.027 -9.448 -18.121 1.00 9.23 N ATOM 520 CA LYS A 33 -11.799 -8.422 -17.427 1.00 8.49 C ATOM 521 C LYS A 33 -11.076 -7.068 -17.415 1.00 8.32 C ATOM 522 O LYS A 33 -11.605 -6.074 -17.912 1.00 8.52 O ATOM 523 CB LYS A 33 -12.090 -8.873 -15.993 1.00 7.63 C ATOM 524 CG LYS A 33 -12.960 -7.903 -15.207 1.00 7.20 C ATOM 525 CD LYS A 33 -13.147 -8.355 -13.765 1.00 6.55 C ATOM 526 CE LYS A 33 -13.950 -9.646 -13.676 1.00 6.99 C ATOM 527 NZ LYS A 33 -15.300 -9.506 -14.286 1.00 6.67 N ATOM 0 H LYS A 33 -10.403 -9.984 -17.519 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.735 -8.289 -17.969 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -12.581 -9.846 -16.021 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -11.145 -9.008 -15.466 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -12.505 -6.912 -15.222 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -13.933 -7.814 -15.690 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -12.172 -8.501 -13.301 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -13.654 -7.572 -13.202 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -13.407 -10.446 -14.178 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -14.053 -9.938 -12.631 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -15.900 -10.301 -13.988 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -15.731 -8.612 -13.975 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -15.214 -9.507 -15.322 1.00 6.67 H new ATOM 541 N GLU A 34 -9.871 -7.038 -16.845 1.00 8.14 N ATOM 542 CA GLU A 34 -9.089 -5.802 -16.736 1.00 8.06 C ATOM 543 C GLU A 34 -8.307 -5.461 -18.012 1.00 9.21 C ATOM 544 O GLU A 34 -7.781 -4.353 -18.135 1.00 9.60 O ATOM 545 CB GLU A 34 -8.114 -5.908 -15.558 1.00 7.25 C ATOM 546 CG GLU A 34 -8.783 -6.244 -14.233 1.00 6.20 C ATOM 547 CD GLU A 34 -9.772 -5.182 -13.788 1.00 6.09 C ATOM 548 OE1 GLU A 34 -9.349 -4.227 -13.103 1.00 6.14 O ATOM 549 OE2 GLU A 34 -10.968 -5.306 -14.125 1.00 6.20 O ATOM 0 H GLU A 34 -9.412 -7.859 -16.449 1.00 8.14 H new ATOM 0 HA GLU A 34 -9.805 -4.996 -16.576 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -7.370 -6.672 -15.782 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.580 -4.964 -15.455 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -9.299 -7.200 -14.324 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -8.018 -6.366 -13.466 1.00 6.20 H new ATOM 556 N GLY A 35 -8.227 -6.397 -18.955 1.00 9.92 N ATOM 557 CA GLY A 35 -7.498 -6.140 -20.195 1.00 11.11 C ATOM 558 C GLY A 35 -5.984 -6.251 -20.060 1.00 11.26 C ATOM 559 O GLY A 35 -5.301 -6.604 -21.023 1.00 12.20 O ATOM 0 H GLY A 35 -8.649 -7.323 -18.888 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -7.837 -6.843 -20.956 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -7.748 -5.141 -20.551 1.00 11.11 H new ATOM 563 N ILE A 36 -5.459 -5.950 -18.873 1.00 10.40 N ATOM 564 CA ILE A 36 -4.014 -5.999 -18.627 1.00 10.49 C ATOM 565 C ILE A 36 -3.399 -7.325 -19.091 1.00 11.27 C ATOM 566 O ILE A 36 -3.841 -8.397 -18.676 1.00 11.07 O ATOM 567 CB ILE A 36 -3.694 -5.793 -17.130 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.304 -4.479 -16.624 1.00 8.55 C ATOM 569 CG2 ILE A 36 -2.187 -5.809 -16.897 1.00 9.38 C ATOM 570 CD1 ILE A 36 -3.778 -3.245 -17.329 1.00 7.28 C ATOM 0 H ILE A 36 -6.012 -5.669 -18.063 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.575 -5.187 -19.207 1.00 10.49 H new ATOM 0 HB ILE A 36 -4.137 -6.615 -16.568 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -5.386 -4.522 -16.747 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -4.108 -4.386 -15.556 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -1.981 -5.662 -15.837 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -1.780 -6.768 -17.216 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -1.722 -5.008 -17.471 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -4.257 -2.358 -16.915 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -2.700 -3.176 -17.185 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -3.998 -3.313 -18.394 1.00 7.28 H new ATOM 582 N PRO A 37 -2.370 -7.263 -19.963 1.00 12.32 N ATOM 583 CA PRO A 37 -1.684 -8.462 -20.473 1.00 13.26 C ATOM 584 C PRO A 37 -1.077 -9.305 -19.352 1.00 12.81 C ATOM 585 O PRO A 37 -0.714 -8.778 -18.300 1.00 12.09 O ATOM 586 CB PRO A 37 -0.577 -7.893 -21.368 1.00 14.23 C ATOM 587 CG PRO A 37 -1.044 -6.528 -21.730 1.00 14.14 C ATOM 588 CD PRO A 37 -1.804 -6.028 -20.536 1.00 12.79 C ATOM 0 HA PRO A 37 -2.371 -9.128 -20.995 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.377 -7.858 -20.843 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -0.430 -8.509 -22.255 1.00 14.23 H new ATOM 0 HG2 PRO A 37 -0.202 -5.875 -21.960 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -1.679 -6.554 -22.616 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.152 -5.516 -19.828 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.583 -5.321 -20.821 1.00 12.79 H new ATOM 596 N PRO A 38 -0.950 -10.627 -19.569 1.00 13.33 N ATOM 597 CA PRO A 38 -0.384 -11.543 -18.572 1.00 13.21 C ATOM 598 C PRO A 38 1.115 -11.333 -18.385 1.00 13.55 C ATOM 599 O PRO A 38 1.645 -11.510 -17.287 1.00 13.14 O ATOM 600 CB PRO A 38 -0.664 -12.927 -19.163 1.00 14.22 C ATOM 601 CG PRO A 38 -0.751 -12.701 -20.633 1.00 14.34 C ATOM 602 CD PRO A 38 -1.341 -11.328 -20.805 1.00 14.21 C ATOM 0 HA PRO A 38 -0.818 -11.394 -17.583 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.131 -13.631 -18.917 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -1.591 -13.345 -18.771 1.00 14.22 H new ATOM 0 HG2 PRO A 38 0.233 -12.764 -21.097 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -1.376 -13.457 -21.108 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -0.946 -10.830 -21.691 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.424 -11.368 -20.918 1.00 14.21 H new ATOM 610 N ASP A 39 1.792 -10.953 -19.467 1.00 14.37 N ATOM 611 CA ASP A 39 3.232 -10.717 -19.431 1.00 14.81 C ATOM 612 C ASP A 39 3.572 -9.536 -18.527 1.00 13.75 C ATOM 613 O ASP A 39 4.692 -9.428 -18.025 1.00 13.74 O ATOM 614 CB ASP A 39 3.767 -10.471 -20.844 1.00 15.96 C ATOM 615 CG ASP A 39 3.091 -9.295 -21.523 1.00 16.45 C ATOM 616 OD1 ASP A 39 1.978 -9.480 -22.058 1.00 16.42 O ATOM 617 OD2 ASP A 39 3.674 -8.191 -21.518 1.00 16.96 O ATOM 0 H ASP A 39 1.364 -10.802 -20.381 1.00 14.37 H new ATOM 0 HA ASP A 39 3.709 -11.608 -19.022 1.00 14.81 H new ATOM 0 HB2 ASP A 39 4.841 -10.291 -20.796 1.00 15.96 H new ATOM 0 HB3 ASP A 39 3.620 -11.368 -21.446 1.00 15.96 H new ATOM 622 N GLN A 40 2.596 -8.655 -18.321 1.00 12.90 N ATOM 623 CA GLN A 40 2.781 -7.480 -17.474 1.00 11.90 C ATOM 624 C GLN A 40 2.249 -7.735 -16.068 1.00 10.64 C ATOM 625 O GLN A 40 2.597 -7.022 -15.126 1.00 9.67 O ATOM 626 CB GLN A 40 2.068 -6.268 -18.082 1.00 11.91 C ATOM 627 CG GLN A 40 2.546 -5.915 -19.482 1.00 13.23 C ATOM 628 CD GLN A 40 1.889 -4.661 -20.028 1.00 13.45 C ATOM 629 OE1 GLN A 40 1.510 -3.763 -19.276 1.00 14.45 O ATOM 630 NE2 GLN A 40 1.755 -4.592 -21.348 1.00 12.63 N ATOM 0 H GLN A 40 1.665 -8.734 -18.731 1.00 12.90 H new ATOM 0 HA GLN A 40 3.850 -7.275 -17.412 1.00 11.90 H new ATOM 0 HB2 GLN A 40 0.997 -6.466 -18.113 1.00 11.91 H new ATOM 0 HB3 GLN A 40 2.214 -5.407 -17.430 1.00 11.91 H new ATOM 0 HG2 GLN A 40 3.627 -5.777 -19.468 1.00 13.23 H new ATOM 0 HG3 GLN A 40 2.340 -6.749 -20.153 1.00 13.23 H new ATOM 0 HE21 GLN A 40 2.083 -5.359 -21.935 1.00 12.63 H new ATOM 0 HE22 GLN A 40 1.324 -3.772 -21.775 1.00 12.63 H new ATOM 639 N GLN A 41 1.406 -8.757 -15.932 1.00 10.76 N ATOM 640 CA GLN A 41 0.814 -9.096 -14.644 1.00 9.79 C ATOM 641 C GLN A 41 1.785 -9.864 -13.752 1.00 9.92 C ATOM 642 O GLN A 41 2.316 -10.905 -14.140 1.00 10.91 O ATOM 643 CB GLN A 41 -0.461 -9.921 -14.845 1.00 9.99 C ATOM 644 CG GLN A 41 -1.681 -9.085 -15.201 1.00 9.70 C ATOM 645 CD GLN A 41 -2.953 -9.910 -15.294 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.094 -10.935 -14.627 1.00 9.65 O ATOM 647 NE2 GLN A 41 -3.891 -9.461 -16.121 1.00 10.21 N ATOM 0 H GLN A 41 1.119 -9.364 -16.700 1.00 10.76 H new ATOM 0 HA GLN A 41 0.570 -8.158 -14.145 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.289 -10.652 -15.635 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.669 -10.481 -13.933 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.813 -8.305 -14.451 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.507 -8.585 -16.154 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -3.733 -8.607 -16.655 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -4.769 -9.971 -16.221 1.00 10.21 H new ATOM 656 N ARG A 42 2.012 -9.328 -12.556 1.00 9.04 N ATOM 657 CA ARG A 42 2.882 -9.957 -11.569 1.00 9.21 C ATOM 658 C ARG A 42 2.070 -10.218 -10.307 1.00 8.55 C ATOM 659 O ARG A 42 1.564 -9.287 -9.689 1.00 7.55 O ATOM 660 CB ARG A 42 4.089 -9.067 -11.252 1.00 8.92 C ATOM 661 CG ARG A 42 5.241 -9.818 -10.600 1.00 9.32 C ATOM 662 CD ARG A 42 6.369 -8.881 -10.192 1.00 8.97 C ATOM 663 NE ARG A 42 6.085 -8.196 -8.933 1.00 9.07 N ATOM 664 CZ ARG A 42 6.920 -7.341 -8.348 1.00 8.61 C ATOM 665 NH1 ARG A 42 8.078 -7.039 -8.920 1.00 8.06 N ATOM 666 NH2 ARG A 42 6.595 -6.784 -7.190 1.00 8.89 N ATOM 0 H ARG A 42 1.599 -8.449 -12.245 1.00 9.04 H new ATOM 0 HA ARG A 42 3.264 -10.896 -11.969 1.00 9.21 H new ATOM 0 HB2 ARG A 42 4.442 -8.605 -12.174 1.00 8.92 H new ATOM 0 HB3 ARG A 42 3.772 -8.260 -10.592 1.00 8.92 H new ATOM 0 HG2 ARG A 42 4.876 -10.351 -9.722 1.00 9.32 H new ATOM 0 HG3 ARG A 42 5.624 -10.568 -11.292 1.00 9.32 H new ATOM 0 HD2 ARG A 42 7.294 -9.449 -10.095 1.00 8.97 H new ATOM 0 HD3 ARG A 42 6.529 -8.143 -10.978 1.00 8.97 H new ATOM 0 HE ARG A 42 5.193 -8.385 -8.475 1.00 9.07 H new ATOM 0 HH11 ARG A 42 8.332 -7.463 -9.812 1.00 8.06 H new ATOM 0 HH12 ARG A 42 8.715 -6.383 -8.467 1.00 8.06 H new ATOM 0 HH21 ARG A 42 5.705 -7.011 -6.747 1.00 8.89 H new ATOM 0 HH22 ARG A 42 7.235 -6.129 -6.742 1.00 8.89 H new ATOM 680 N LEU A 43 1.947 -11.480 -9.922 1.00 9.27 N ATOM 681 CA LEU A 43 1.151 -11.834 -8.753 1.00 9.04 C ATOM 682 C LEU A 43 2.020 -12.157 -7.547 1.00 9.51 C ATOM 683 O LEU A 43 2.943 -12.969 -7.626 1.00 10.56 O ATOM 684 CB LEU A 43 0.241 -13.021 -9.079 1.00 9.79 C ATOM 685 CG LEU A 43 -0.949 -12.695 -9.987 1.00 9.27 C ATOM 686 CD1 LEU A 43 -1.599 -13.973 -10.499 1.00 10.24 C ATOM 687 CD2 LEU A 43 -1.967 -11.837 -9.246 1.00 8.15 C ATOM 0 H LEU A 43 2.383 -12.271 -10.396 1.00 9.27 H new ATOM 0 HA LEU A 43 0.543 -10.967 -8.495 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.839 -13.798 -9.555 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.137 -13.437 -8.145 1.00 9.79 H new ATOM 0 HG LEU A 43 -0.582 -12.131 -10.844 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -2.442 -13.720 -11.142 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -0.869 -14.550 -11.067 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -1.952 -14.565 -9.655 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.805 -11.615 -9.906 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -2.328 -12.376 -8.370 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -1.497 -10.905 -8.931 1.00 8.15 H new ATOM 699 N ILE A 44 1.715 -11.497 -6.435 1.00 8.83 N ATOM 700 CA ILE A 44 2.431 -11.702 -5.184 1.00 9.35 C ATOM 701 C ILE A 44 1.501 -12.291 -4.127 1.00 9.75 C ATOM 702 O ILE A 44 0.483 -11.690 -3.778 1.00 9.11 O ATOM 703 CB ILE A 44 3.033 -10.380 -4.659 1.00 8.53 C ATOM 704 CG1 ILE A 44 3.982 -9.767 -5.698 1.00 8.20 C ATOM 705 CG2 ILE A 44 3.754 -10.609 -3.337 1.00 9.24 C ATOM 706 CD1 ILE A 44 5.060 -10.716 -6.185 1.00 9.33 C ATOM 0 H ILE A 44 0.966 -10.807 -6.377 1.00 8.83 H new ATOM 0 HA ILE A 44 3.244 -12.400 -5.382 1.00 9.35 H new ATOM 0 HB ILE A 44 2.219 -9.676 -4.486 1.00 8.53 H new ATOM 0 HG12 ILE A 44 3.398 -9.428 -6.553 1.00 8.20 H new ATOM 0 HG13 ILE A 44 4.456 -8.886 -5.266 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.172 -9.667 -2.982 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.049 -10.994 -2.600 1.00 9.24 H new ATOM 0 HG23 ILE A 44 4.558 -11.331 -3.481 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.689 -10.208 -6.916 1.00 9.33 H new ATOM 0 HD12 ILE A 44 5.671 -11.036 -5.341 1.00 9.33 H new ATOM 0 HD13 ILE A 44 4.596 -11.587 -6.648 1.00 9.33 H new ATOM 718 N PHE A 45 1.857 -13.471 -3.629 1.00 10.94 N ATOM 719 CA PHE A 45 1.063 -14.152 -2.612 1.00 11.61 C ATOM 720 C PHE A 45 1.935 -14.598 -1.446 1.00 12.55 C ATOM 721 O PHE A 45 2.864 -15.389 -1.620 1.00 13.34 O ATOM 722 CB PHE A 45 0.334 -15.362 -3.200 1.00 12.32 C ATOM 723 CG PHE A 45 -0.368 -16.190 -2.161 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.455 -15.682 -1.468 1.00 12.72 C ATOM 725 CD2 PHE A 45 0.065 -17.474 -1.872 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.098 -16.439 -0.507 1.00 13.62 C ATOM 727 CE2 PHE A 45 -0.574 -18.236 -0.912 1.00 15.27 C ATOM 728 CZ PHE A 45 -1.656 -17.717 -0.228 1.00 14.88 C ATOM 0 H PHE A 45 2.695 -13.978 -3.915 1.00 10.94 H new ATOM 0 HA PHE A 45 0.323 -13.439 -2.247 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.394 -15.018 -3.935 1.00 12.32 H new ATOM 0 HB3 PHE A 45 1.051 -15.988 -3.731 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -1.804 -14.682 -1.681 1.00 12.72 H new ATOM 0 HD2 PHE A 45 0.911 -17.884 -2.403 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -2.945 -16.032 0.025 1.00 13.62 H new ATOM 0 HE2 PHE A 45 -0.228 -19.236 -0.697 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.156 -18.310 0.524 1.00 14.88 H new ATOM 738 N ALA A 46 1.623 -14.085 -0.260 1.00 12.55 N ATOM 739 CA ALA A 46 2.359 -14.425 0.953 1.00 13.48 C ATOM 740 C ALA A 46 3.825 -14.008 0.871 1.00 13.42 C ATOM 741 O ALA A 46 4.659 -14.495 1.635 1.00 14.38 O ATOM 742 CB ALA A 46 2.245 -15.916 1.240 1.00 14.76 C ATOM 0 H ALA A 46 0.858 -13.426 -0.113 1.00 12.55 H new ATOM 0 HA ALA A 46 1.910 -13.867 1.775 1.00 13.48 H new ATOM 0 HB1 ALA A 46 2.799 -16.155 2.148 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.196 -16.182 1.374 1.00 14.76 H new ATOM 0 HB3 ALA A 46 2.658 -16.480 0.404 1.00 14.76 H new ATOM 748 N GLY A 47 4.133 -13.104 -0.052 1.00 12.34 N ATOM 749 CA GLY A 47 5.499 -12.637 -0.202 1.00 12.25 C ATOM 750 C GLY A 47 6.271 -13.396 -1.263 1.00 12.73 C ATOM 751 O GLY A 47 7.457 -13.139 -1.475 1.00 12.99 O ATOM 0 H GLY A 47 3.463 -12.687 -0.698 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.489 -11.577 -0.456 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.016 -12.731 0.753 1.00 12.25 H new ATOM 755 N LYS A 48 5.603 -14.337 -1.925 1.00 12.95 N ATOM 756 CA LYS A 48 6.231 -15.135 -2.973 1.00 13.60 C ATOM 757 C LYS A 48 5.552 -14.899 -4.316 1.00 12.95 C ATOM 758 O LYS A 48 4.336 -14.732 -4.384 1.00 12.25 O ATOM 759 CB LYS A 48 6.177 -16.622 -2.610 1.00 14.88 C ATOM 760 CG LYS A 48 6.958 -16.974 -1.353 1.00 15.77 C ATOM 761 CD LYS A 48 8.450 -16.726 -1.529 1.00 16.95 C ATOM 762 CE LYS A 48 9.220 -17.021 -0.252 1.00 16.96 C ATOM 763 NZ LYS A 48 10.685 -16.821 -0.427 1.00 17.08 N ATOM 0 H LYS A 48 4.624 -14.566 -1.753 1.00 12.95 H new ATOM 0 HA LYS A 48 7.273 -14.827 -3.057 1.00 13.60 H new ATOM 0 HB2 LYS A 48 5.136 -16.916 -2.475 1.00 14.88 H new ATOM 0 HB3 LYS A 48 6.567 -17.205 -3.444 1.00 14.88 H new ATOM 0 HG2 LYS A 48 6.587 -16.382 -0.516 1.00 15.77 H new ATOM 0 HG3 LYS A 48 6.790 -18.021 -1.102 1.00 15.77 H new ATOM 0 HD2 LYS A 48 8.831 -17.351 -2.337 1.00 16.95 H new ATOM 0 HD3 LYS A 48 8.615 -15.689 -1.823 1.00 16.95 H new ATOM 0 HE2 LYS A 48 8.858 -16.374 0.547 1.00 16.96 H new ATOM 0 HE3 LYS A 48 9.029 -18.048 0.058 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 11.173 -17.033 0.466 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 11.036 -17.456 -1.172 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 10.871 -15.834 -0.698 1.00 17.08 H new ATOM 777 N GLN A 49 6.344 -14.894 -5.385 1.00 13.28 N ATOM 778 CA GLN A 49 5.816 -14.675 -6.728 1.00 12.91 C ATOM 779 C GLN A 49 5.239 -15.968 -7.299 1.00 13.82 C ATOM 780 O GLN A 49 5.878 -17.019 -7.242 1.00 14.97 O ATOM 781 CB GLN A 49 6.905 -14.116 -7.651 1.00 13.03 C ATOM 782 CG GLN A 49 8.201 -14.916 -7.632 1.00 12.43 C ATOM 783 CD GLN A 49 9.290 -14.297 -8.493 1.00 12.64 C ATOM 784 OE1 GLN A 49 9.268 -12.974 -8.627 1.00 12.65 O flip ATOM 785 NE2 GLN A 49 10.144 -15.001 -9.031 1.00 12.96 N flip ATOM 0 H GLN A 49 7.353 -15.039 -5.347 1.00 13.28 H new ATOM 0 HA GLN A 49 5.012 -13.942 -6.663 1.00 12.91 H new ATOM 0 HB2 GLN A 49 6.523 -14.087 -8.671 1.00 13.03 H new ATOM 0 HB3 GLN A 49 7.120 -13.087 -7.361 1.00 13.03 H new ATOM 0 HG2 GLN A 49 8.558 -14.996 -6.605 1.00 12.43 H new ATOM 0 HG3 GLN A 49 8.002 -15.930 -7.980 1.00 12.43 H new ATOM 0 HE21 GLN A 49 10.126 -16.013 -8.903 1.00 12.96 H new ATOM 0 HE22 GLN A 49 10.870 -14.573 -9.605 1.00 12.96 H new ATOM 794 N LEU A 50 4.026 -15.884 -7.846 1.00 13.33 N ATOM 795 CA LEU A 50 3.355 -17.051 -8.413 1.00 14.13 C ATOM 796 C LEU A 50 3.869 -17.362 -9.816 1.00 14.81 C ATOM 797 O LEU A 50 4.022 -16.466 -10.647 1.00 14.27 O ATOM 798 CB LEU A 50 1.839 -16.831 -8.444 1.00 13.38 C ATOM 799 CG LEU A 50 1.170 -16.681 -7.073 1.00 12.72 C ATOM 800 CD1 LEU A 50 1.507 -15.333 -6.451 1.00 12.09 C ATOM 801 CD2 LEU A 50 -0.338 -16.852 -7.191 1.00 13.76 C ATOM 0 H LEU A 50 3.489 -15.019 -7.908 1.00 13.33 H new ATOM 0 HA LEU A 50 3.579 -17.906 -7.775 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.630 -15.937 -9.031 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.377 -17.670 -8.965 1.00 13.38 H new ATOM 0 HG LEU A 50 1.556 -17.464 -6.420 1.00 12.72 H new ATOM 0 HD11 LEU A 50 1.021 -15.249 -5.479 1.00 12.09 H new ATOM 0 HD12 LEU A 50 2.587 -15.250 -6.326 1.00 12.09 H new ATOM 0 HD13 LEU A 50 1.155 -14.533 -7.103 1.00 12.09 H new ATOM 0 HD21 LEU A 50 -0.795 -16.742 -6.207 1.00 13.76 H new ATOM 0 HD22 LEU A 50 -0.739 -16.094 -7.864 1.00 13.76 H new ATOM 0 HD23 LEU A 50 -0.562 -17.843 -7.586 1.00 13.76 H new ATOM 813 N GLU A 51 4.137 -18.645 -10.066 1.00 16.07 N ATOM 814 CA GLU A 51 4.638 -19.094 -11.363 1.00 16.92 C ATOM 815 C GLU A 51 3.489 -19.409 -12.320 1.00 17.12 C ATOM 816 O GLU A 51 2.557 -20.132 -11.965 1.00 17.35 O ATOM 817 CB GLU A 51 5.524 -20.333 -11.185 1.00 18.22 C ATOM 818 CG GLU A 51 6.809 -20.293 -11.999 1.00 19.07 C ATOM 819 CD GLU A 51 6.566 -19.981 -13.463 1.00 20.22 C ATOM 820 OE1 GLU A 51 6.074 -20.873 -14.188 1.00 21.00 O ATOM 821 OE2 GLU A 51 6.869 -18.845 -13.886 1.00 20.40 O ATOM 0 H GLU A 51 4.014 -19.393 -9.383 1.00 16.07 H new ATOM 0 HA GLU A 51 5.229 -18.286 -11.795 1.00 16.92 H new ATOM 0 HB2 GLU A 51 5.777 -20.439 -10.130 1.00 18.22 H new ATOM 0 HB3 GLU A 51 4.954 -21.219 -11.466 1.00 18.22 H new ATOM 0 HG2 GLU A 51 7.477 -19.542 -11.578 1.00 19.07 H new ATOM 0 HG3 GLU A 51 7.317 -21.254 -11.916 1.00 19.07 H new ATOM 828 N ASP A 52 3.569 -18.858 -13.533 1.00 17.11 N ATOM 829 CA ASP A 52 2.542 -19.072 -14.555 1.00 17.32 C ATOM 830 C ASP A 52 2.127 -20.542 -14.623 1.00 18.50 C ATOM 831 O ASP A 52 0.937 -20.858 -14.609 1.00 18.49 O ATOM 832 CB ASP A 52 3.043 -18.595 -15.924 1.00 17.56 C ATOM 833 CG ASP A 52 4.229 -19.394 -16.435 1.00 16.47 C ATOM 834 OD1 ASP A 52 4.008 -20.450 -17.066 1.00 16.20 O ATOM 835 OD2 ASP A 52 5.378 -18.960 -16.212 1.00 15.96 O ATOM 0 H ASP A 52 4.338 -18.258 -13.832 1.00 17.11 H new ATOM 0 HA ASP A 52 1.665 -18.487 -14.278 1.00 17.32 H new ATOM 0 HB2 ASP A 52 2.229 -18.662 -16.646 1.00 17.56 H new ATOM 0 HB3 ASP A 52 3.323 -17.544 -15.856 1.00 17.56 H new ATOM 840 N GLY A 53 3.113 -21.434 -14.697 1.00 19.52 N ATOM 841 CA GLY A 53 2.822 -22.855 -14.749 1.00 20.72 C ATOM 842 C GLY A 53 2.038 -23.308 -13.534 1.00 20.81 C ATOM 843 O GLY A 53 0.841 -23.574 -13.630 1.00 21.79 O ATOM 0 H GLY A 53 4.105 -21.198 -14.722 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.255 -23.078 -15.653 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.754 -23.416 -14.811 1.00 20.72 H new ATOM 847 N ARG A 54 2.741 -23.437 -12.403 1.00 19.86 N ATOM 848 CA ARG A 54 2.139 -23.830 -11.123 1.00 20.02 C ATOM 849 C ARG A 54 0.673 -23.424 -10.987 1.00 19.36 C ATOM 850 O ARG A 54 0.208 -22.477 -11.618 1.00 18.53 O ATOM 851 CB ARG A 54 2.937 -23.232 -9.961 1.00 19.57 C ATOM 852 CG ARG A 54 4.328 -23.827 -9.800 1.00 20.34 C ATOM 853 CD ARG A 54 5.069 -23.208 -8.623 1.00 21.73 C ATOM 854 NE ARG A 54 4.322 -23.343 -7.372 1.00 22.50 N ATOM 855 CZ ARG A 54 4.838 -23.089 -6.172 1.00 23.45 C ATOM 856 NH1 ARG A 54 6.099 -22.694 -6.054 1.00 23.75 N ATOM 857 NH2 ARG A 54 4.090 -23.230 -5.086 1.00 24.16 N ATOM 0 H ARG A 54 3.746 -23.271 -12.349 1.00 19.86 H new ATOM 0 HA ARG A 54 2.173 -24.919 -11.095 1.00 20.02 H new ATOM 0 HB2 ARG A 54 3.027 -22.156 -10.110 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.380 -23.380 -9.036 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.249 -24.904 -9.655 1.00 20.34 H new ATOM 0 HG3 ARG A 54 4.900 -23.669 -10.714 1.00 20.34 H new ATOM 0 HD2 ARG A 54 6.043 -23.685 -8.517 1.00 21.73 H new ATOM 0 HD3 ARG A 54 5.251 -22.152 -8.824 1.00 21.73 H new ATOM 0 HE ARG A 54 3.350 -23.649 -7.423 1.00 22.50 H new ATOM 0 HH11 ARG A 54 6.679 -22.583 -6.886 1.00 23.75 H new ATOM 0 HH12 ARG A 54 6.489 -22.501 -5.131 1.00 23.75 H new ATOM 0 HH21 ARG A 54 3.120 -23.533 -5.171 1.00 24.16 H new ATOM 0 HH22 ARG A 54 4.485 -23.035 -4.166 1.00 24.16 H new ATOM 871 N THR A 55 -0.034 -24.147 -10.123 1.00 19.79 N ATOM 872 CA THR A 55 -1.447 -23.898 -9.869 1.00 19.31 C ATOM 873 C THR A 55 -1.647 -23.341 -8.464 1.00 18.56 C ATOM 874 O THR A 55 -0.752 -23.420 -7.622 1.00 18.57 O ATOM 875 CB THR A 55 -2.284 -25.184 -10.041 1.00 20.43 C ATOM 876 OG1 THR A 55 -3.678 -24.898 -9.870 1.00 21.36 O ATOM 877 CG2 THR A 55 -1.857 -26.252 -9.044 1.00 21.11 C ATOM 0 H THR A 55 0.356 -24.919 -9.582 1.00 19.79 H new ATOM 0 HA THR A 55 -1.788 -23.164 -10.600 1.00 19.31 H new ATOM 0 HB THR A 55 -2.113 -25.561 -11.049 1.00 20.43 H new ATOM 0 HG1 THR A 55 -3.917 -24.989 -8.924 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.463 -27.147 -9.187 1.00 21.11 H new ATOM 0 HG22 THR A 55 -0.806 -26.496 -9.200 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.996 -25.879 -8.029 1.00 21.11 H new ATOM 885 N LEU A 56 -2.821 -22.771 -8.221 1.00 17.96 N ATOM 886 CA LEU A 56 -3.143 -22.192 -6.922 1.00 17.35 C ATOM 887 C LEU A 56 -2.925 -23.196 -5.787 1.00 18.41 C ATOM 888 O LEU A 56 -2.481 -22.823 -4.701 1.00 18.24 O ATOM 889 CB LEU A 56 -4.588 -21.689 -6.921 1.00 16.66 C ATOM 890 CG LEU A 56 -4.882 -20.552 -7.909 1.00 15.55 C ATOM 891 CD1 LEU A 56 -6.373 -20.265 -7.965 1.00 14.99 C ATOM 892 CD2 LEU A 56 -4.110 -19.295 -7.528 1.00 14.57 C ATOM 0 H LEU A 56 -3.569 -22.697 -8.910 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.469 -21.353 -6.750 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.248 -22.526 -7.148 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -4.838 -21.350 -5.916 1.00 16.66 H new ATOM 0 HG LEU A 56 -4.555 -20.868 -8.900 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -6.562 -19.456 -8.671 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -6.904 -21.160 -8.289 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -6.725 -19.973 -6.976 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -4.333 -18.501 -8.241 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -4.404 -18.977 -6.528 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -3.041 -19.506 -7.542 1.00 14.57 H new ATOM 904 N SER A 57 -3.229 -24.469 -6.045 1.00 19.54 N ATOM 905 CA SER A 57 -3.068 -25.520 -5.040 1.00 20.67 C ATOM 906 C SER A 57 -1.606 -25.681 -4.617 1.00 21.10 C ATOM 907 O SER A 57 -1.323 -26.067 -3.482 1.00 21.74 O ATOM 908 CB SER A 57 -3.601 -26.851 -5.577 1.00 21.76 C ATOM 909 OG SER A 57 -3.481 -27.879 -4.610 1.00 21.61 O ATOM 0 H SER A 57 -3.588 -24.797 -6.942 1.00 19.54 H new ATOM 0 HA SER A 57 -3.642 -25.224 -4.162 1.00 20.67 H new ATOM 0 HB2 SER A 57 -4.647 -26.738 -5.863 1.00 21.76 H new ATOM 0 HB3 SER A 57 -3.052 -27.129 -6.477 1.00 21.76 H new ATOM 0 HG SER A 57 -3.830 -28.717 -4.979 1.00 21.61 H new ATOM 915 N ASP A 58 -0.683 -25.385 -5.530 1.00 20.79 N ATOM 916 CA ASP A 58 0.745 -25.505 -5.243 1.00 21.19 C ATOM 917 C ASP A 58 1.171 -24.509 -4.168 1.00 20.53 C ATOM 918 O ASP A 58 2.042 -24.803 -3.349 1.00 21.09 O ATOM 919 CB ASP A 58 1.576 -25.282 -6.512 1.00 20.98 C ATOM 920 CG ASP A 58 1.293 -26.310 -7.594 1.00 22.06 C ATOM 921 OD1 ASP A 58 0.562 -27.287 -7.317 1.00 21.87 O ATOM 922 OD2 ASP A 58 1.807 -26.141 -8.718 1.00 23.14 O ATOM 0 H ASP A 58 -0.898 -25.061 -6.473 1.00 20.79 H new ATOM 0 HA ASP A 58 0.924 -26.516 -4.876 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.372 -24.285 -6.903 1.00 20.98 H new ATOM 0 HB3 ASP A 58 2.635 -25.313 -6.256 1.00 20.98 H new ATOM 927 N TYR A 59 0.550 -23.333 -4.179 1.00 19.37 N ATOM 928 CA TYR A 59 0.862 -22.289 -3.208 1.00 18.69 C ATOM 929 C TYR A 59 -0.077 -22.353 -2.004 1.00 18.82 C ATOM 930 O TYR A 59 -0.023 -21.497 -1.120 1.00 18.30 O ATOM 931 CB TYR A 59 0.776 -20.911 -3.869 1.00 17.29 C ATOM 932 CG TYR A 59 1.900 -20.635 -4.843 1.00 17.19 C ATOM 933 CD1 TYR A 59 3.102 -20.089 -4.407 1.00 17.22 C ATOM 934 CD2 TYR A 59 1.763 -20.921 -6.195 1.00 17.17 C ATOM 935 CE1 TYR A 59 4.133 -19.836 -5.290 1.00 17.25 C ATOM 936 CE2 TYR A 59 2.790 -20.670 -7.086 1.00 17.26 C ATOM 937 CZ TYR A 59 3.973 -20.129 -6.627 1.00 17.30 C ATOM 938 OH TYR A 59 4.999 -19.878 -7.511 1.00 17.49 O ATOM 0 H TYR A 59 -0.174 -23.079 -4.851 1.00 19.37 H new ATOM 0 HA TYR A 59 1.879 -22.453 -2.852 1.00 18.69 H new ATOM 0 HB2 TYR A 59 -0.176 -20.827 -4.393 1.00 17.29 H new ATOM 0 HB3 TYR A 59 0.782 -20.145 -3.094 1.00 17.29 H new ATOM 0 HD1 TYR A 59 3.232 -19.859 -3.360 1.00 17.22 H new ATOM 0 HD2 TYR A 59 0.839 -21.347 -6.557 1.00 17.17 H new ATOM 0 HE1 TYR A 59 5.060 -19.411 -4.935 1.00 17.25 H new ATOM 0 HE2 TYR A 59 2.667 -20.896 -8.135 1.00 17.26 H new ATOM 0 HH TYR A 59 5.360 -18.982 -7.347 1.00 17.49 H new ATOM 948 N ASN A 60 -0.938 -23.371 -1.974 1.00 19.61 N ATOM 949 CA ASN A 60 -1.889 -23.551 -0.876 1.00 19.94 C ATOM 950 C ASN A 60 -2.884 -22.392 -0.821 1.00 18.78 C ATOM 951 O ASN A 60 -3.347 -22.004 0.252 1.00 18.73 O ATOM 952 CB ASN A 60 -1.144 -23.678 0.459 1.00 20.73 C ATOM 953 CG ASN A 60 -1.971 -24.368 1.530 1.00 21.53 C ATOM 954 OD1 ASN A 60 -3.200 -24.299 1.527 1.00 21.59 O ATOM 955 ND2 ASN A 60 -1.296 -25.039 2.456 1.00 22.24 N ATOM 0 H ASN A 60 -0.996 -24.085 -2.700 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.447 -24.470 -1.056 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -0.221 -24.236 0.303 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -0.861 -22.685 0.808 1.00 20.73 H new ATOM 0 HD21 ASN A 60 -1.796 -25.523 3.202 1.00 22.24 H new ATOM 0 HD22 ASN A 60 -0.277 -25.071 2.421 1.00 22.24 H new ATOM 962 N ILE A 61 -3.216 -21.851 -1.991 1.00 17.93 N ATOM 963 CA ILE A 61 -4.151 -20.735 -2.086 1.00 16.80 C ATOM 964 C ILE A 61 -5.600 -21.209 -2.015 1.00 17.14 C ATOM 965 O ILE A 61 -6.067 -21.954 -2.879 1.00 17.46 O ATOM 966 CB ILE A 61 -3.935 -19.931 -3.385 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.549 -19.278 -3.375 1.00 15.44 C ATOM 968 CG2 ILE A 61 -5.024 -18.879 -3.552 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.189 -18.577 -4.668 1.00 14.60 C ATOM 0 H ILE A 61 -2.850 -22.169 -2.888 1.00 17.93 H new ATOM 0 HA ILE A 61 -3.954 -20.087 -1.232 1.00 16.80 H new ATOM 0 HB ILE A 61 -3.992 -20.614 -4.232 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.504 -18.557 -2.558 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -1.800 -20.042 -3.167 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.854 -18.323 -4.474 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -5.998 -19.367 -3.597 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -5.001 -18.193 -2.705 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -1.194 -18.141 -4.581 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.199 -19.296 -5.487 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.914 -17.788 -4.868 1.00 14.60 H new ATOM 981 N GLN A 62 -6.302 -20.769 -0.971 1.00 17.17 N ATOM 982 CA GLN A 62 -7.704 -21.124 -0.769 1.00 17.56 C ATOM 983 C GLN A 62 -8.606 -19.923 -1.055 1.00 16.44 C ATOM 984 O GLN A 62 -8.146 -18.900 -1.564 1.00 15.35 O ATOM 985 CB GLN A 62 -7.923 -21.620 0.665 1.00 18.57 C ATOM 986 CG GLN A 62 -7.528 -20.607 1.731 1.00 19.77 C ATOM 987 CD GLN A 62 -7.801 -21.105 3.137 1.00 20.75 C ATOM 988 OE1 GLN A 62 -6.949 -21.737 3.761 1.00 21.49 O ATOM 989 NE2 GLN A 62 -8.998 -20.824 3.643 1.00 20.83 N ATOM 0 H GLN A 62 -5.918 -20.161 -0.248 1.00 17.17 H new ATOM 0 HA GLN A 62 -7.962 -21.925 -1.462 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -8.974 -21.878 0.794 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -7.349 -22.534 0.815 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -6.468 -20.375 1.631 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -8.075 -19.679 1.566 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -9.674 -20.297 3.090 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -9.240 -21.135 4.584 1.00 20.83 H new ATOM 998 N LYS A 63 -9.890 -20.054 -0.728 1.00 16.74 N ATOM 999 CA LYS A 63 -10.856 -18.980 -0.950 1.00 15.83 C ATOM 1000 C LYS A 63 -10.534 -17.763 -0.078 1.00 15.40 C ATOM 1001 O LYS A 63 -9.811 -17.873 0.913 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.273 -19.481 -0.652 1.00 16.42 C ATOM 1003 CG LYS A 63 -13.374 -18.543 -1.123 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.752 -19.093 -0.788 1.00 18.15 C ATOM 1005 CE LYS A 63 -15.856 -18.137 -1.214 1.00 19.19 C ATOM 1006 NZ LYS A 63 -17.204 -18.640 -0.829 1.00 18.86 N ATOM 0 H LYS A 63 -10.286 -20.895 -0.308 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.795 -18.675 -1.995 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -12.411 -20.453 -1.126 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.375 -19.633 0.423 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -13.247 -17.566 -0.656 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -13.292 -18.394 -2.200 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -14.891 -20.054 -1.283 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.821 -19.274 0.285 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -15.688 -17.162 -0.757 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -15.816 -17.994 -2.294 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -17.929 -17.961 -1.137 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -17.375 -19.559 -1.285 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -17.251 -18.752 0.204 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.073 -16.605 -0.462 1.00 14.33 N ATOM 1021 CA GLU A 64 -10.859 -15.360 0.277 1.00 13.93 C ATOM 1022 C GLU A 64 -9.375 -14.995 0.355 1.00 13.56 C ATOM 1023 O GLU A 64 -8.947 -14.305 1.283 1.00 13.53 O ATOM 1024 CB GLU A 64 -11.450 -15.469 1.687 1.00 14.98 C ATOM 1025 CG GLU A 64 -12.954 -15.686 1.705 1.00 15.11 C ATOM 1026 CD GLU A 64 -13.510 -15.793 3.113 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -13.824 -14.742 3.711 1.00 15.76 O ATOM 1028 OE2 GLU A 64 -13.629 -16.929 3.619 1.00 16.92 O ATOM 0 H GLU A 64 -11.665 -16.504 -1.286 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.369 -14.564 -0.266 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -10.967 -16.294 2.211 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.217 -14.559 2.240 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -13.443 -14.861 1.187 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.193 -16.595 1.154 1.00 15.11 H new ATOM 1035 N SER A 65 -8.599 -15.447 -0.628 1.00 13.38 N ATOM 1036 CA SER A 65 -7.164 -15.164 -0.665 1.00 13.05 C ATOM 1037 C SER A 65 -6.883 -13.838 -1.371 1.00 11.65 C ATOM 1038 O SER A 65 -7.496 -13.526 -2.392 1.00 10.94 O ATOM 1039 CB SER A 65 -6.418 -16.298 -1.372 1.00 13.61 C ATOM 1040 OG SER A 65 -5.029 -16.025 -1.451 1.00 14.92 O ATOM 0 H SER A 65 -8.938 -16.010 -1.408 1.00 13.38 H new ATOM 0 HA SER A 65 -6.810 -15.088 0.363 1.00 13.05 H new ATOM 0 HB2 SER A 65 -6.578 -17.233 -0.835 1.00 13.61 H new ATOM 0 HB3 SER A 65 -6.823 -16.434 -2.375 1.00 13.61 H new ATOM 0 HG SER A 65 -4.548 -16.589 -0.810 1.00 14.92 H new ATOM 1046 N THR A 66 -5.946 -13.070 -0.821 1.00 11.29 N ATOM 1047 CA THR A 66 -5.573 -11.777 -1.392 1.00 9.99 C ATOM 1048 C THR A 66 -4.289 -11.891 -2.211 1.00 9.57 C ATOM 1049 O THR A 66 -3.284 -12.418 -1.733 1.00 10.12 O ATOM 1050 CB THR A 66 -5.376 -10.711 -0.295 1.00 9.92 C ATOM 1051 OG1 THR A 66 -4.394 -11.153 0.650 1.00 10.85 O ATOM 1052 CG2 THR A 66 -6.686 -10.423 0.424 1.00 8.71 C ATOM 0 H THR A 66 -5.429 -13.321 0.022 1.00 11.29 H new ATOM 0 HA THR A 66 -6.392 -11.469 -2.042 1.00 9.99 H new ATOM 0 HB THR A 66 -5.033 -9.793 -0.772 1.00 9.92 H new ATOM 0 HG1 THR A 66 -4.274 -10.469 1.342 1.00 10.85 H new ATOM 0 HG21 THR A 66 -6.521 -9.668 1.193 1.00 8.71 H new ATOM 0 HG22 THR A 66 -7.421 -10.056 -0.292 1.00 8.71 H new ATOM 0 HG23 THR A 66 -7.056 -11.338 0.887 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.333 -11.388 -3.444 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.179 -11.435 -4.340 1.00 8.45 C ATOM 1062 C LEU A 67 -2.862 -10.045 -4.889 1.00 7.19 C ATOM 1063 O LEU A 67 -3.655 -9.466 -5.631 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.447 -12.402 -5.498 1.00 8.71 C ATOM 1065 CG LEU A 67 -4.032 -13.762 -5.095 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -4.480 -14.537 -6.325 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.017 -14.568 -4.299 1.00 10.94 C ATOM 0 H LEU A 67 -5.158 -10.942 -3.846 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.320 -11.788 -3.770 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.132 -11.923 -6.198 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.512 -12.571 -6.032 1.00 8.71 H new ATOM 0 HG LEU A 67 -4.902 -13.585 -4.463 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -4.892 -15.499 -6.019 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -5.243 -13.968 -6.856 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -3.626 -14.701 -6.983 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -3.451 -15.529 -4.023 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -2.127 -14.733 -4.906 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.744 -14.020 -3.397 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.697 -9.516 -4.524 1.00 7.09 N ATOM 1080 CA HIS A 68 -1.282 -8.193 -4.982 1.00 5.99 C ATOM 1081 C HIS A 68 -0.770 -8.249 -6.419 1.00 5.70 C ATOM 1082 O HIS A 68 0.172 -8.980 -6.726 1.00 6.53 O ATOM 1083 CB HIS A 68 -0.203 -7.619 -4.059 1.00 6.18 C ATOM 1084 CG HIS A 68 0.176 -6.205 -4.386 1.00 6.68 C ATOM 1085 ND1 HIS A 68 1.473 -5.740 -4.329 1.00 6.45 N ATOM 1086 CD2 HIS A 68 -0.583 -5.151 -4.769 1.00 7.71 C ATOM 1087 CE1 HIS A 68 1.496 -4.461 -4.662 1.00 7.36 C ATOM 1088 NE2 HIS A 68 0.261 -4.081 -4.934 1.00 8.09 N ATOM 0 H HIS A 68 -1.025 -9.982 -3.914 1.00 7.09 H new ATOM 0 HA HIS A 68 -2.153 -7.538 -4.953 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.557 -7.663 -3.029 1.00 6.18 H new ATOM 0 HB3 HIS A 68 0.686 -8.247 -4.118 1.00 6.18 H new ATOM 0 HD2 HIS A 68 -1.653 -5.152 -4.917 1.00 7.71 H new ATOM 0 HE1 HIS A 68 2.374 -3.834 -4.704 1.00 7.36 H new ATOM 0 HE2 HIS A 68 -0.021 -3.143 -5.221 1.00 8.09 H new ATOM 1097 N LEU A 69 -1.399 -7.464 -7.292 1.00 4.81 N ATOM 1098 CA LEU A 69 -1.019 -7.414 -8.701 1.00 4.96 C ATOM 1099 C LEU A 69 -0.081 -6.237 -8.956 1.00 4.58 C ATOM 1100 O LEU A 69 -0.466 -5.079 -8.789 1.00 3.90 O ATOM 1101 CB LEU A 69 -2.267 -7.295 -9.580 1.00 4.80 C ATOM 1102 CG LEU A 69 -2.042 -7.550 -11.074 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -1.688 -9.010 -11.321 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -3.275 -7.155 -11.873 1.00 5.42 C ATOM 0 H LEU A 69 -2.177 -6.852 -7.046 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.497 -8.337 -8.955 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -3.016 -7.999 -9.217 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.684 -6.295 -9.458 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.206 -6.935 -11.406 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -1.532 -9.171 -12.388 1.00 6.70 H new ATOM 0 HD12 LEU A 69 -0.776 -9.260 -10.779 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -2.502 -9.646 -10.973 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -3.098 -7.343 -12.932 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -4.129 -7.743 -11.538 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.482 -6.096 -11.722 1.00 5.42 H new ATOM 1116 N VAL A 70 1.149 -6.543 -9.360 1.00 5.29 N ATOM 1117 CA VAL A 70 2.149 -5.519 -9.627 1.00 5.30 C ATOM 1118 C VAL A 70 2.411 -5.362 -11.119 1.00 6.23 C ATOM 1119 O VAL A 70 2.482 -6.345 -11.858 1.00 7.13 O ATOM 1120 CB VAL A 70 3.479 -5.832 -8.907 1.00 5.71 C ATOM 1121 CG1 VAL A 70 4.475 -4.690 -9.081 1.00 5.73 C ATOM 1122 CG2 VAL A 70 3.228 -6.113 -7.431 1.00 5.32 C ATOM 0 H VAL A 70 1.476 -7.497 -9.510 1.00 5.29 H new ATOM 0 HA VAL A 70 1.745 -4.583 -9.242 1.00 5.30 H new ATOM 0 HB VAL A 70 3.913 -6.724 -9.359 1.00 5.71 H new ATOM 0 HG11 VAL A 70 5.403 -4.935 -8.565 1.00 5.73 H new ATOM 0 HG12 VAL A 70 4.678 -4.543 -10.142 1.00 5.73 H new ATOM 0 HG13 VAL A 70 4.057 -3.775 -8.661 1.00 5.73 H new ATOM 0 HG21 VAL A 70 4.174 -6.332 -6.936 1.00 5.32 H new ATOM 0 HG22 VAL A 70 2.770 -5.240 -6.967 1.00 5.32 H new ATOM 0 HG23 VAL A 70 2.560 -6.969 -7.332 1.00 5.32 H new ATOM 1132 N LEU A 71 2.554 -4.111 -11.546 1.00 6.27 N ATOM 1133 CA LEU A 71 2.818 -3.793 -12.942 1.00 7.40 C ATOM 1134 C LEU A 71 4.115 -3.001 -13.061 1.00 8.31 C ATOM 1135 O LEU A 71 4.195 -1.849 -12.629 1.00 8.22 O ATOM 1136 CB LEU A 71 1.657 -2.990 -13.543 1.00 7.48 C ATOM 1137 CG LEU A 71 0.325 -3.741 -13.663 1.00 7.46 C ATOM 1138 CD1 LEU A 71 -0.305 -3.959 -12.293 1.00 6.63 C ATOM 1139 CD2 LEU A 71 -0.631 -2.983 -14.575 1.00 8.16 C ATOM 0 H LEU A 71 2.490 -3.295 -10.937 1.00 6.27 H new ATOM 0 HA LEU A 71 2.917 -4.727 -13.496 1.00 7.40 H new ATOM 0 HB2 LEU A 71 1.499 -2.101 -12.932 1.00 7.48 H new ATOM 0 HB3 LEU A 71 1.951 -2.647 -14.535 1.00 7.48 H new ATOM 0 HG LEU A 71 0.525 -4.719 -14.102 1.00 7.46 H new ATOM 0 HD11 LEU A 71 -1.248 -4.493 -12.407 1.00 6.63 H new ATOM 0 HD12 LEU A 71 0.371 -4.545 -11.671 1.00 6.63 H new ATOM 0 HD13 LEU A 71 -0.490 -2.995 -11.820 1.00 6.63 H new ATOM 0 HD21 LEU A 71 -1.572 -3.529 -14.650 1.00 8.16 H new ATOM 0 HD22 LEU A 71 -0.818 -1.992 -14.162 1.00 8.16 H new ATOM 0 HD23 LEU A 71 -0.188 -2.886 -15.566 1.00 8.16 H new ATOM 1151 N ARG A 72 5.133 -3.633 -13.636 1.00 9.27 N ATOM 1152 CA ARG A 72 6.433 -2.995 -13.808 1.00 10.25 C ATOM 1153 C ARG A 72 6.565 -2.402 -15.207 1.00 11.32 C ATOM 1154 O ARG A 72 6.610 -3.130 -16.199 1.00 12.10 O ATOM 1155 CB ARG A 72 7.561 -3.999 -13.554 1.00 10.86 C ATOM 1156 CG ARG A 72 7.565 -4.580 -12.146 1.00 11.89 C ATOM 1157 CD ARG A 72 7.677 -3.492 -11.088 1.00 12.56 C ATOM 1158 NE ARG A 72 7.937 -4.043 -9.760 1.00 13.15 N ATOM 1159 CZ ARG A 72 8.044 -3.305 -8.659 1.00 13.62 C ATOM 1160 NH1 ARG A 72 7.891 -1.988 -8.720 1.00 13.61 N ATOM 1161 NH2 ARG A 72 8.299 -3.883 -7.493 1.00 14.22 N ATOM 0 H ARG A 72 5.082 -4.588 -13.991 1.00 9.27 H new ATOM 0 HA ARG A 72 6.511 -2.187 -13.081 1.00 10.25 H new ATOM 0 HB2 ARG A 72 7.477 -4.814 -14.273 1.00 10.86 H new ATOM 0 HB3 ARG A 72 8.518 -3.510 -13.737 1.00 10.86 H new ATOM 0 HG2 ARG A 72 6.650 -5.151 -11.985 1.00 11.89 H new ATOM 0 HG3 ARG A 72 8.398 -5.276 -12.042 1.00 11.89 H new ATOM 0 HD2 ARG A 72 8.479 -2.805 -11.358 1.00 12.56 H new ATOM 0 HD3 ARG A 72 6.754 -2.912 -11.065 1.00 12.56 H new ATOM 0 HE ARG A 72 8.043 -5.054 -9.672 1.00 13.15 H new ATOM 0 HH11 ARG A 72 7.691 -1.539 -9.614 1.00 13.61 H new ATOM 0 HH12 ARG A 72 7.974 -1.425 -7.873 1.00 13.61 H new ATOM 0 HH21 ARG A 72 8.413 -4.895 -7.440 1.00 14.22 H new ATOM 0 HH22 ARG A 72 8.381 -3.315 -6.649 1.00 14.22 H new ATOM 1175 N LEU A 73 6.622 -1.074 -15.275 1.00 11.45 N ATOM 1176 CA LEU A 73 6.752 -0.373 -16.548 1.00 12.57 C ATOM 1177 C LEU A 73 8.189 0.093 -16.755 1.00 13.68 C ATOM 1178 O LEU A 73 8.749 -0.049 -17.841 1.00 13.63 O ATOM 1179 CB LEU A 73 5.802 0.830 -16.602 1.00 12.50 C ATOM 1180 CG LEU A 73 4.307 0.497 -16.500 1.00 12.30 C ATOM 1181 CD1 LEU A 73 3.916 0.195 -15.060 1.00 11.49 C ATOM 1182 CD2 LEU A 73 3.468 1.642 -17.054 1.00 12.81 C ATOM 0 H LEU A 73 6.580 -0.461 -14.461 1.00 11.45 H new ATOM 0 HA LEU A 73 6.486 -1.066 -17.346 1.00 12.57 H new ATOM 0 HB2 LEU A 73 6.061 1.512 -15.792 1.00 12.50 H new ATOM 0 HB3 LEU A 73 5.974 1.365 -17.536 1.00 12.50 H new ATOM 0 HG LEU A 73 4.114 -0.394 -17.097 1.00 12.30 H new ATOM 0 HD11 LEU A 73 2.852 -0.038 -15.013 1.00 11.49 H new ATOM 0 HD12 LEU A 73 4.491 -0.658 -14.698 1.00 11.49 H new ATOM 0 HD13 LEU A 73 4.125 1.064 -14.436 1.00 11.49 H new ATOM 0 HD21 LEU A 73 2.411 1.390 -16.974 1.00 12.81 H new ATOM 0 HD22 LEU A 73 3.669 2.549 -16.484 1.00 12.81 H new ATOM 0 HD23 LEU A 73 3.724 1.807 -18.101 1.00 12.81 H new ATOM 1194 N ARG A 74 8.775 0.649 -15.696 1.00 14.71 N ATOM 1195 CA ARG A 74 10.148 1.144 -15.741 1.00 15.86 C ATOM 1196 C ARG A 74 10.584 1.646 -14.367 1.00 16.72 C ATOM 1197 O ARG A 74 9.772 2.155 -13.596 1.00 17.60 O ATOM 1198 CB ARG A 74 10.278 2.272 -16.770 1.00 16.64 C ATOM 1199 CG ARG A 74 9.288 3.409 -16.561 1.00 16.74 C ATOM 1200 CD ARG A 74 9.474 4.514 -17.589 1.00 17.43 C ATOM 1201 NE ARG A 74 9.342 4.020 -18.958 1.00 18.56 N ATOM 1202 CZ ARG A 74 9.490 4.784 -20.037 1.00 18.96 C ATOM 1203 NH1 ARG A 74 9.758 6.076 -19.907 1.00 18.35 N ATOM 1204 NH2 ARG A 74 9.364 4.257 -21.246 1.00 20.03 N ATOM 0 H ARG A 74 8.317 0.768 -14.792 1.00 14.71 H new ATOM 0 HA ARG A 74 10.796 0.319 -16.036 1.00 15.86 H new ATOM 0 HB2 ARG A 74 11.291 2.672 -16.731 1.00 16.64 H new ATOM 0 HB3 ARG A 74 10.137 1.859 -17.769 1.00 16.64 H new ATOM 0 HG2 ARG A 74 8.271 3.022 -16.623 1.00 16.74 H new ATOM 0 HG3 ARG A 74 9.412 3.820 -15.559 1.00 16.74 H new ATOM 0 HD2 ARG A 74 8.737 5.298 -17.415 1.00 17.43 H new ATOM 0 HD3 ARG A 74 10.457 4.966 -17.461 1.00 17.43 H new ATOM 0 HE ARG A 74 9.124 3.033 -19.094 1.00 18.56 H new ATOM 0 HH11 ARG A 74 9.851 6.487 -18.978 1.00 18.35 H new ATOM 0 HH12 ARG A 74 9.871 6.659 -20.736 1.00 18.35 H new ATOM 0 HH21 ARG A 74 9.153 3.264 -21.350 1.00 20.03 H new ATOM 0 HH22 ARG A 74 9.478 4.844 -22.073 1.00 20.03 H new ATOM 1218 N GLY A 75 11.872 1.499 -14.070 1.00 16.49 N ATOM 1219 CA GLY A 75 12.399 1.946 -12.793 1.00 17.34 C ATOM 1220 C GLY A 75 12.323 0.880 -11.717 1.00 16.75 C ATOM 1221 O GLY A 75 13.166 0.841 -10.821 1.00 16.31 O ATOM 0 H GLY A 75 12.561 1.077 -14.693 1.00 16.49 H new ATOM 0 HA2 GLY A 75 13.437 2.252 -12.921 1.00 17.34 H new ATOM 0 HA3 GLY A 75 11.845 2.826 -12.465 1.00 17.34 H new ATOM 1225 N GLY A 76 11.316 0.011 -11.806 1.00 16.82 N ATOM 1226 CA GLY A 76 11.152 -1.048 -10.824 1.00 16.39 C ATOM 1227 C GLY A 76 11.029 -0.518 -9.408 1.00 16.87 C ATOM 1228 O GLY A 76 12.037 -0.554 -8.671 1.00 16.60 O ATOM 1229 OXT GLY A 76 9.928 -0.057 -9.041 1.00 17.60 O ATOM 0 H GLY A 76 10.610 0.023 -12.542 1.00 16.82 H new ATOM 0 HA2 GLY A 76 10.264 -1.630 -11.068 1.00 16.39 H new ATOM 0 HA3 GLY A 76 12.003 -1.726 -10.881 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 21.975 16.809 5.405 1.00 8.45 N ATOM 1235 CA ALA B 5 20.662 16.303 4.929 1.00 8.55 C ATOM 1236 C ALA B 5 20.443 14.858 5.366 1.00 8.21 C ATOM 1237 O ALA B 5 21.364 14.040 5.323 1.00 8.17 O ATOM 1238 CB ALA B 5 20.572 16.417 3.414 1.00 9.15 C ATOM 0 HA ALA B 5 19.878 16.915 5.376 1.00 8.55 H new ATOM 0 HB1 ALA B 5 19.605 16.043 3.078 1.00 9.15 H new ATOM 0 HB2 ALA B 5 20.679 17.461 3.121 1.00 9.15 H new ATOM 0 HB3 ALA B 5 21.368 15.829 2.957 1.00 9.15 H new ATOM 1244 N LYS B 6 19.210 14.550 5.775 1.00 8.14 N ATOM 1245 CA LYS B 6 18.841 13.211 6.229 1.00 7.96 C ATOM 1246 C LYS B 6 17.335 13.015 6.077 1.00 7.52 C ATOM 1247 O LYS B 6 16.539 13.724 6.692 1.00 7.55 O ATOM 1248 CB LYS B 6 19.250 13.005 7.693 1.00 8.42 C ATOM 1249 CG LYS B 6 20.752 13.083 7.931 1.00 9.06 C ATOM 1250 CD LYS B 6 21.113 12.707 9.361 1.00 9.58 C ATOM 1251 CE LYS B 6 22.611 12.806 9.605 1.00 10.19 C ATOM 1252 NZ LYS B 6 22.971 12.434 11.002 1.00 10.58 N ATOM 0 H LYS B 6 18.442 15.221 5.800 1.00 8.14 H new ATOM 0 HA LYS B 6 19.366 12.477 5.618 1.00 7.96 H new ATOM 0 HB2 LYS B 6 18.755 13.757 8.307 1.00 8.42 H new ATOM 0 HB3 LYS B 6 18.889 12.032 8.027 1.00 8.42 H new ATOM 0 HG2 LYS B 6 21.266 12.417 7.238 1.00 9.06 H new ATOM 0 HG3 LYS B 6 21.102 14.093 7.720 1.00 9.06 H new ATOM 0 HD2 LYS B 6 20.587 13.363 10.054 1.00 9.58 H new ATOM 0 HD3 LYS B 6 20.777 11.691 9.567 1.00 9.58 H new ATOM 0 HE2 LYS B 6 23.136 12.153 8.908 1.00 10.19 H new ATOM 0 HE3 LYS B 6 22.946 13.823 9.402 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 24.000 12.514 11.128 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 22.490 13.073 11.666 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 22.675 11.455 11.188 1.00 10.58 H new ATOM 1266 N GLU B 7 16.960 12.044 5.245 1.00 7.18 N ATOM 1267 CA GLU B 7 15.559 11.707 5.012 1.00 6.79 C ATOM 1268 C GLU B 7 15.340 10.219 5.260 1.00 6.27 C ATOM 1269 O GLU B 7 15.754 9.381 4.457 1.00 6.06 O ATOM 1270 CB GLU B 7 15.148 12.069 3.581 1.00 6.70 C ATOM 1271 CG GLU B 7 15.189 13.562 3.297 1.00 7.25 C ATOM 1272 CD GLU B 7 14.256 14.353 4.197 1.00 7.37 C ATOM 1273 OE1 GLU B 7 13.024 14.226 4.033 1.00 7.56 O ATOM 1274 OE2 GLU B 7 14.757 15.095 5.068 1.00 7.53 O ATOM 0 H GLU B 7 17.618 11.471 4.716 1.00 7.18 H new ATOM 0 HA GLU B 7 14.941 12.281 5.702 1.00 6.79 H new ATOM 0 HB2 GLU B 7 15.808 11.556 2.881 1.00 6.70 H new ATOM 0 HB3 GLU B 7 14.139 11.700 3.397 1.00 6.70 H new ATOM 0 HG2 GLU B 7 16.208 13.925 3.428 1.00 7.25 H new ATOM 0 HG3 GLU B 7 14.919 13.738 2.256 1.00 7.25 H new ATOM 1281 N TYR B 8 14.694 9.897 6.378 1.00 6.11 N ATOM 1282 CA TYR B 8 14.437 8.507 6.741 1.00 5.67 C ATOM 1283 C TYR B 8 12.974 8.285 7.107 1.00 5.23 C ATOM 1284 O TYR B 8 12.203 9.238 7.232 1.00 5.37 O ATOM 1285 CB TYR B 8 15.337 8.086 7.906 1.00 5.93 C ATOM 1286 CG TYR B 8 16.812 8.099 7.569 1.00 6.40 C ATOM 1287 CD1 TYR B 8 17.506 9.297 7.440 1.00 6.75 C ATOM 1288 CD2 TYR B 8 17.510 6.912 7.380 1.00 6.73 C ATOM 1289 CE1 TYR B 8 18.853 9.310 7.129 1.00 7.21 C ATOM 1290 CE2 TYR B 8 18.857 6.919 7.072 1.00 7.19 C ATOM 1291 CZ TYR B 8 19.523 8.119 6.947 1.00 7.34 C ATOM 1292 OH TYR B 8 20.863 8.128 6.637 1.00 7.84 O ATOM 0 H TYR B 8 14.339 10.580 7.048 1.00 6.11 H new ATOM 0 HA TYR B 8 14.664 7.892 5.870 1.00 5.67 H new ATOM 0 HB2 TYR B 8 15.160 8.753 8.750 1.00 5.93 H new ATOM 0 HB3 TYR B 8 15.055 7.083 8.227 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.985 10.232 7.585 1.00 6.75 H new ATOM 0 HD2 TYR B 8 16.991 5.969 7.475 1.00 6.73 H new ATOM 0 HE1 TYR B 8 19.378 10.249 7.029 1.00 7.21 H new ATOM 0 HE2 TYR B 8 19.386 5.988 6.930 1.00 7.19 H new ATOM 0 HH TYR B 8 21.183 7.207 6.543 1.00 7.84 H new ATOM 1302 N CYS B 9 12.607 7.023 7.284 1.00 4.73 N ATOM 1303 CA CYS B 9 11.235 6.668 7.633 1.00 4.31 C ATOM 1304 C CYS B 9 11.190 5.419 8.508 1.00 3.91 C ATOM 1305 O CYS B 9 12.069 4.559 8.420 1.00 3.80 O ATOM 1306 CB CYS B 9 10.415 6.435 6.359 1.00 4.13 C ATOM 1307 SG CYS B 9 10.512 7.782 5.157 1.00 4.61 S ATOM 0 H CYS B 9 13.239 6.227 7.192 1.00 4.73 H new ATOM 0 HA CYS B 9 10.807 7.496 8.198 1.00 4.31 H new ATOM 0 HB2 CYS B 9 10.756 5.515 5.885 1.00 4.13 H new ATOM 0 HB3 CYS B 9 9.371 6.284 6.635 1.00 4.13 H new ATOM 0 HG CYS B 9 9.788 7.489 4.118 1.00 4.61 H new ATOM 1313 N ARG B 10 10.163 5.324 9.354 1.00 3.77 N ATOM 1314 CA ARG B 10 10.007 4.175 10.243 1.00 3.48 C ATOM 1315 C ARG B 10 8.991 3.198 9.659 1.00 3.02 C ATOM 1316 O ARG B 10 7.960 3.611 9.130 1.00 3.04 O ATOM 1317 CB ARG B 10 9.570 4.632 11.637 1.00 3.74 C ATOM 1318 CG ARG B 10 9.331 3.487 12.612 1.00 3.64 C ATOM 1319 CD ARG B 10 8.946 4.001 13.989 1.00 3.85 C ATOM 1320 NE ARG B 10 8.626 2.910 14.907 1.00 3.92 N ATOM 1321 CZ ARG B 10 7.386 2.546 15.226 1.00 4.05 C ATOM 1322 NH1 ARG B 10 6.345 3.179 14.698 1.00 4.22 N ATOM 1323 NH2 ARG B 10 7.185 1.546 16.072 1.00 4.43 N ATOM 0 H ARG B 10 9.430 6.027 9.441 1.00 3.77 H new ATOM 0 HA ARG B 10 10.968 3.669 10.335 1.00 3.48 H new ATOM 0 HB2 ARG B 10 10.333 5.294 12.048 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.655 5.217 11.547 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.541 2.841 12.230 1.00 3.64 H new ATOM 0 HG3 ARG B 10 10.232 2.878 12.688 1.00 3.64 H new ATOM 0 HD2 ARG B 10 9.766 4.592 14.398 1.00 3.85 H new ATOM 0 HD3 ARG B 10 8.087 4.666 13.901 1.00 3.85 H new ATOM 0 HE ARG B 10 9.400 2.396 15.329 1.00 3.92 H new ATOM 0 HH11 ARG B 10 6.494 3.948 14.045 1.00 4.22 H new ATOM 0 HH12 ARG B 10 5.397 2.896 14.946 1.00 4.22 H new ATOM 0 HH21 ARG B 10 7.981 1.055 16.479 1.00 4.43 H new ATOM 0 HH22 ARG B 10 6.235 1.268 16.316 1.00 4.43 H new ATOM 1337 N THR B 11 9.283 1.901 9.770 1.00 2.72 N ATOM 1338 CA THR B 11 8.395 0.870 9.244 1.00 2.35 C ATOM 1339 C THR B 11 7.270 0.543 10.224 1.00 2.40 C ATOM 1340 O THR B 11 7.526 0.147 11.362 1.00 2.57 O ATOM 1341 CB THR B 11 9.173 -0.421 8.938 1.00 2.15 C ATOM 1342 OG1 THR B 11 9.849 -0.867 10.117 1.00 2.48 O ATOM 1343 CG2 THR B 11 10.183 -0.196 7.824 1.00 2.15 C ATOM 0 H THR B 11 10.126 1.543 10.219 1.00 2.72 H new ATOM 0 HA THR B 11 7.963 1.267 8.325 1.00 2.35 H new ATOM 0 HB THR B 11 8.463 -1.181 8.611 1.00 2.15 H new ATOM 0 HG1 THR B 11 9.827 -1.846 10.156 1.00 2.48 H new ATOM 0 HG21 THR B 11 10.720 -1.124 7.627 1.00 2.15 H new ATOM 0 HG22 THR B 11 9.663 0.122 6.920 1.00 2.15 H new ATOM 0 HG23 THR B 11 10.891 0.576 8.125 1.00 2.15 H new ATOM 1351 N LEU B 12 6.026 0.706 9.778 1.00 2.42 N ATOM 1352 CA LEU B 12 4.868 0.434 10.625 1.00 2.61 C ATOM 1353 C LEU B 12 4.428 -1.024 10.512 1.00 2.57 C ATOM 1354 O LEU B 12 3.740 -1.533 11.397 1.00 2.79 O ATOM 1355 CB LEU B 12 3.709 1.360 10.243 1.00 2.93 C ATOM 1356 CG LEU B 12 4.040 2.857 10.251 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.879 3.665 9.686 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.381 3.320 11.661 1.00 3.78 C ATOM 0 H LEU B 12 5.795 1.024 8.837 1.00 2.42 H new ATOM 0 HA LEU B 12 5.156 0.622 11.659 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.360 1.087 9.247 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.882 1.183 10.931 1.00 2.93 H new ATOM 0 HG LEU B 12 4.911 3.021 9.616 1.00 3.34 H new ATOM 0 HD11 LEU B 12 3.133 4.725 9.700 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.683 3.352 8.660 1.00 3.72 H new ATOM 0 HD13 LEU B 12 1.989 3.497 10.293 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.613 4.385 11.648 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.530 3.142 12.318 1.00 3.78 H new ATOM 0 HD23 LEU B 12 5.244 2.765 12.027 1.00 3.78 H new ATOM 1370 N PHE B 13 4.813 -1.693 9.429 1.00 2.42 N ATOM 1371 CA PHE B 13 4.450 -3.095 9.227 1.00 2.54 C ATOM 1372 C PHE B 13 5.542 -3.842 8.465 1.00 2.25 C ATOM 1373 O PHE B 13 6.344 -3.230 7.758 1.00 1.97 O ATOM 1374 CB PHE B 13 3.123 -3.188 8.466 1.00 2.93 C ATOM 1375 CG PHE B 13 1.943 -2.695 9.255 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.282 -3.536 10.135 1.00 3.89 C ATOM 1377 CD2 PHE B 13 1.493 -1.390 9.115 1.00 3.98 C ATOM 1378 CE1 PHE B 13 0.197 -3.087 10.862 1.00 4.60 C ATOM 1379 CE2 PHE B 13 0.407 -0.937 9.840 1.00 4.67 C ATOM 1380 CZ PHE B 13 -0.241 -1.786 10.715 1.00 4.88 C ATOM 0 H PHE B 13 5.375 -1.290 8.679 1.00 2.42 H new ATOM 0 HA PHE B 13 4.339 -3.562 10.206 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.201 -2.611 7.545 1.00 2.93 H new ATOM 0 HB3 PHE B 13 2.950 -4.225 8.179 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.619 -4.555 10.254 1.00 3.89 H new ATOM 0 HD2 PHE B 13 1.996 -0.721 8.433 1.00 3.98 H new ATOM 0 HE1 PHE B 13 -0.309 -3.753 11.545 1.00 4.60 H new ATOM 0 HE2 PHE B 13 0.065 0.081 9.722 1.00 4.67 H new ATOM 0 HZ PHE B 13 -1.089 -1.433 11.283 1.00 4.88 H new ATOM 1390 N PRO B 14 5.588 -5.182 8.602 1.00 2.42 N ATOM 1391 CA PRO B 14 6.589 -6.013 7.925 1.00 2.31 C ATOM 1392 C PRO B 14 6.304 -6.182 6.432 1.00 2.34 C ATOM 1393 O PRO B 14 5.155 -6.331 6.017 1.00 2.77 O ATOM 1394 CB PRO B 14 6.482 -7.354 8.651 1.00 2.76 C ATOM 1395 CG PRO B 14 5.074 -7.409 9.134 1.00 3.11 C ATOM 1396 CD PRO B 14 4.677 -5.988 9.439 1.00 2.88 C ATOM 0 HA PRO B 14 7.583 -5.567 7.967 1.00 2.31 H new ATOM 0 HB2 PRO B 14 6.704 -8.186 7.982 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.188 -7.414 9.479 1.00 2.76 H new ATOM 0 HG2 PRO B 14 4.420 -7.842 8.377 1.00 3.11 H new ATOM 0 HG3 PRO B 14 4.992 -8.035 10.022 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.633 -5.801 9.188 1.00 2.88 H new ATOM 0 HD3 PRO B 14 4.797 -5.757 10.498 1.00 2.88 H new ATOM 1404 N TYR B 15 7.369 -6.154 5.644 1.00 2.05 N ATOM 1405 CA TYR B 15 7.280 -6.309 4.195 1.00 2.18 C ATOM 1406 C TYR B 15 8.379 -7.239 3.692 1.00 2.20 C ATOM 1407 O TYR B 15 9.551 -7.060 4.024 1.00 2.06 O ATOM 1408 CB TYR B 15 7.401 -4.958 3.491 1.00 2.12 C ATOM 1409 CG TYR B 15 7.389 -5.076 1.981 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.251 -5.506 1.310 1.00 3.05 C ATOM 1411 CD2 TYR B 15 8.517 -4.773 1.230 1.00 2.50 C ATOM 1412 CE1 TYR B 15 6.237 -5.630 -0.066 1.00 3.52 C ATOM 1413 CE2 TYR B 15 8.511 -4.891 -0.148 1.00 2.98 C ATOM 1414 CZ TYR B 15 7.370 -5.321 -0.790 1.00 3.45 C ATOM 1415 OH TYR B 15 7.360 -5.443 -2.160 1.00 4.00 O ATOM 0 H TYR B 15 8.320 -6.023 5.989 1.00 2.05 H new ATOM 0 HA TYR B 15 6.305 -6.740 3.966 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.579 -4.315 3.806 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.325 -4.472 3.805 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.362 -5.747 1.874 1.00 3.05 H new ATOM 0 HD2 TYR B 15 9.414 -4.440 1.730 1.00 2.50 H new ATOM 0 HE1 TYR B 15 5.344 -5.967 -0.572 1.00 3.52 H new ATOM 0 HE2 TYR B 15 9.396 -4.647 -0.718 1.00 2.98 H new ATOM 0 HH TYR B 15 7.807 -6.276 -2.417 1.00 4.00 H new ATOM 1425 N THR B 16 7.995 -8.230 2.892 1.00 2.62 N ATOM 1426 CA THR B 16 8.950 -9.187 2.342 1.00 2.82 C ATOM 1427 C THR B 16 9.078 -9.043 0.827 1.00 2.71 C ATOM 1428 O THR B 16 8.093 -9.163 0.095 1.00 3.05 O ATOM 1429 CB THR B 16 8.542 -10.636 2.681 1.00 3.44 C ATOM 1430 OG1 THR B 16 9.477 -11.558 2.109 1.00 3.72 O ATOM 1431 CG2 THR B 16 7.141 -10.946 2.171 1.00 3.82 C ATOM 0 H THR B 16 7.028 -8.391 2.610 1.00 2.62 H new ATOM 0 HA THR B 16 9.915 -8.968 2.799 1.00 2.82 H new ATOM 0 HB THR B 16 8.545 -10.740 3.766 1.00 3.44 H new ATOM 0 HG1 THR B 16 9.210 -12.474 2.331 1.00 3.72 H new ATOM 0 HG21 THR B 16 6.881 -11.974 2.424 1.00 3.82 H new ATOM 0 HG22 THR B 16 6.426 -10.266 2.634 1.00 3.82 H new ATOM 0 HG23 THR B 16 7.112 -10.821 1.089 1.00 3.82 H new ATOM 1439 N GLY B 17 10.298 -8.771 0.365 1.00 2.63 N ATOM 1440 CA GLY B 17 10.541 -8.636 -1.061 1.00 2.64 C ATOM 1441 C GLY B 17 10.294 -9.935 -1.801 1.00 2.86 C ATOM 1442 O GLY B 17 10.547 -11.016 -1.265 1.00 3.22 O ATOM 0 H GLY B 17 11.121 -8.642 0.953 1.00 2.63 H new ATOM 0 HA2 GLY B 17 9.895 -7.858 -1.467 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.569 -8.314 -1.225 1.00 2.64 H new ATOM 1446 N THR B 18 9.795 -9.836 -3.033 1.00 2.97 N ATOM 1447 CA THR B 18 9.519 -11.017 -3.845 1.00 3.40 C ATOM 1448 C THR B 18 10.527 -11.154 -4.983 1.00 3.24 C ATOM 1449 O THR B 18 10.726 -12.241 -5.528 1.00 3.53 O ATOM 1450 CB THR B 18 8.097 -10.968 -4.437 1.00 4.01 C ATOM 1451 OG1 THR B 18 7.966 -9.840 -5.313 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.055 -10.881 -3.331 1.00 4.64 C ATOM 0 H THR B 18 9.574 -8.950 -3.489 1.00 2.97 H new ATOM 0 HA THR B 18 9.603 -11.881 -3.186 1.00 3.40 H new ATOM 0 HB THR B 18 7.931 -11.885 -5.002 1.00 4.01 H new ATOM 0 HG1 THR B 18 8.462 -10.009 -6.141 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.059 -10.847 -3.772 1.00 4.64 H new ATOM 0 HG22 THR B 18 7.137 -11.755 -2.685 1.00 4.64 H new ATOM 0 HG23 THR B 18 7.222 -9.978 -2.744 1.00 4.64 H new ATOM 1460 N ASN B 19 11.157 -10.029 -5.333 1.00 2.97 N ATOM 1461 CA ASN B 19 12.157 -9.989 -6.396 1.00 2.95 C ATOM 1462 C ASN B 19 13.512 -9.546 -5.841 1.00 2.53 C ATOM 1463 O ASN B 19 13.594 -8.977 -4.752 1.00 2.37 O ATOM 1464 CB ASN B 19 11.703 -9.053 -7.518 1.00 3.31 C ATOM 1465 CG ASN B 19 10.569 -9.643 -8.337 1.00 3.62 C ATOM 1466 OD1 ASN B 19 9.339 -9.444 -7.878 1.00 3.98 O flip ATOM 1467 ND2 ASN B 19 10.797 -10.276 -9.367 1.00 4.05 N flip ATOM 0 H ASN B 19 10.987 -9.127 -4.888 1.00 2.97 H new ATOM 0 HA ASN B 19 12.267 -10.993 -6.807 1.00 2.95 H new ATOM 0 HB2 ASN B 19 11.383 -8.104 -7.089 1.00 3.31 H new ATOM 0 HB3 ASN B 19 12.547 -8.838 -8.173 1.00 3.31 H new ATOM 0 HD21 ASN B 19 11.758 -10.405 -9.684 1.00 4.05 H new ATOM 0 HD22 ASN B 19 10.025 -10.672 -9.904 1.00 4.05 H new ATOM 1474 N GLU B 20 14.568 -9.814 -6.604 1.00 2.59 N ATOM 1475 CA GLU B 20 15.934 -9.492 -6.186 1.00 2.51 C ATOM 1476 C GLU B 20 16.128 -8.001 -5.917 1.00 2.43 C ATOM 1477 O GLU B 20 16.977 -7.623 -5.107 1.00 2.58 O ATOM 1478 CB GLU B 20 16.939 -9.967 -7.239 1.00 2.89 C ATOM 1479 CG GLU B 20 16.999 -11.480 -7.394 1.00 3.34 C ATOM 1480 CD GLU B 20 15.662 -12.088 -7.778 1.00 3.79 C ATOM 1481 OE1 GLU B 20 15.318 -12.055 -8.978 1.00 4.26 O ATOM 1482 OE2 GLU B 20 14.959 -12.596 -6.878 1.00 4.19 O ATOM 0 H GLU B 20 14.505 -10.256 -7.521 1.00 2.59 H new ATOM 0 HA GLU B 20 16.110 -10.017 -5.247 1.00 2.51 H new ATOM 0 HB2 GLU B 20 16.681 -9.523 -8.200 1.00 2.89 H new ATOM 0 HB3 GLU B 20 17.930 -9.599 -6.974 1.00 2.89 H new ATOM 0 HG2 GLU B 20 17.739 -11.733 -8.153 1.00 3.34 H new ATOM 0 HG3 GLU B 20 17.338 -11.923 -6.458 1.00 3.34 H new ATOM 1489 N ASP B 21 15.349 -7.155 -6.586 1.00 2.53 N ATOM 1490 CA ASP B 21 15.481 -5.713 -6.393 1.00 2.79 C ATOM 1491 C ASP B 21 14.728 -5.268 -5.144 1.00 2.58 C ATOM 1492 O ASP B 21 15.290 -4.600 -4.279 1.00 2.78 O ATOM 1493 CB ASP B 21 14.982 -4.946 -7.621 1.00 3.35 C ATOM 1494 CG ASP B 21 14.950 -3.444 -7.398 1.00 3.78 C ATOM 1495 OD1 ASP B 21 16.004 -2.796 -7.568 1.00 4.22 O ATOM 1496 OD2 ASP B 21 13.871 -2.916 -7.052 1.00 4.18 O ATOM 0 H ASP B 21 14.632 -7.435 -7.255 1.00 2.53 H new ATOM 0 HA ASP B 21 16.539 -5.487 -6.259 1.00 2.79 H new ATOM 0 HB2 ASP B 21 15.626 -5.170 -8.471 1.00 3.35 H new ATOM 0 HB3 ASP B 21 13.981 -5.293 -7.880 1.00 3.35 H new ATOM 1501 N GLU B 22 13.443 -5.636 -5.079 1.00 2.35 N ATOM 1502 CA GLU B 22 12.585 -5.296 -3.941 1.00 2.22 C ATOM 1503 C GLU B 22 13.366 -5.240 -2.625 1.00 1.84 C ATOM 1504 O GLU B 22 14.311 -6.003 -2.415 1.00 1.91 O ATOM 1505 CB GLU B 22 11.443 -6.312 -3.826 1.00 2.44 C ATOM 1506 CG GLU B 22 10.092 -5.762 -4.256 1.00 2.91 C ATOM 1507 CD GLU B 22 9.135 -6.848 -4.711 1.00 3.33 C ATOM 1508 OE1 GLU B 22 9.165 -7.200 -5.908 1.00 3.77 O ATOM 1509 OE2 GLU B 22 8.357 -7.349 -3.871 1.00 3.68 O ATOM 0 H GLU B 22 12.973 -6.173 -5.808 1.00 2.35 H new ATOM 0 HA GLU B 22 12.179 -4.301 -4.124 1.00 2.22 H new ATOM 0 HB2 GLU B 22 11.681 -7.184 -4.435 1.00 2.44 H new ATOM 0 HB3 GLU B 22 11.375 -6.654 -2.793 1.00 2.44 H new ATOM 0 HG2 GLU B 22 9.646 -5.215 -3.425 1.00 2.91 H new ATOM 0 HG3 GLU B 22 10.236 -5.048 -5.067 1.00 2.91 H new ATOM 1516 N LEU B 23 12.944 -4.347 -1.739 1.00 1.69 N ATOM 1517 CA LEU B 23 13.574 -4.197 -0.428 1.00 1.59 C ATOM 1518 C LEU B 23 12.742 -4.964 0.593 1.00 1.33 C ATOM 1519 O LEU B 23 11.512 -4.968 0.531 1.00 1.30 O ATOM 1520 CB LEU B 23 13.669 -2.715 -0.045 1.00 1.92 C ATOM 1521 CG LEU B 23 14.776 -2.356 0.953 1.00 2.39 C ATOM 1522 CD1 LEU B 23 14.853 -0.849 1.143 1.00 3.13 C ATOM 1523 CD2 LEU B 23 14.552 -3.046 2.292 1.00 2.61 C ATOM 0 H LEU B 23 12.164 -3.711 -1.903 1.00 1.69 H new ATOM 0 HA LEU B 23 14.588 -4.597 -0.454 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.822 -2.133 -0.954 1.00 1.92 H new ATOM 0 HB3 LEU B 23 12.712 -2.405 0.375 1.00 1.92 H new ATOM 0 HG LEU B 23 15.723 -2.707 0.544 1.00 2.39 H new ATOM 0 HD11 LEU B 23 15.644 -0.612 1.855 1.00 3.13 H new ATOM 0 HD12 LEU B 23 15.070 -0.372 0.187 1.00 3.13 H new ATOM 0 HD13 LEU B 23 13.900 -0.481 1.524 1.00 3.13 H new ATOM 0 HD21 LEU B 23 15.352 -2.773 2.980 1.00 2.61 H new ATOM 0 HD22 LEU B 23 13.594 -2.733 2.707 1.00 2.61 H new ATOM 0 HD23 LEU B 23 14.549 -4.127 2.149 1.00 2.61 H new ATOM 1535 N THR B 24 13.429 -5.612 1.533 1.00 1.49 N ATOM 1536 CA THR B 24 12.767 -6.376 2.583 1.00 1.61 C ATOM 1537 C THR B 24 13.013 -5.732 3.944 1.00 1.73 C ATOM 1538 O THR B 24 14.162 -5.548 4.352 1.00 2.12 O ATOM 1539 CB THR B 24 13.250 -7.842 2.611 1.00 2.09 C ATOM 1540 OG1 THR B 24 12.964 -8.479 1.361 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.593 -8.618 3.746 1.00 2.46 C ATOM 0 H THR B 24 14.448 -5.621 1.586 1.00 1.49 H new ATOM 0 HA THR B 24 11.699 -6.372 2.365 1.00 1.61 H new ATOM 0 HB THR B 24 14.327 -7.837 2.778 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.276 -9.408 1.388 1.00 2.21 H new ATOM 0 HG21 THR B 24 12.953 -9.647 3.740 1.00 2.46 H new ATOM 0 HG22 THR B 24 12.844 -8.152 4.699 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.511 -8.611 3.613 1.00 2.46 H new ATOM 1549 N PHE B 25 11.941 -5.391 4.637 1.00 1.59 N ATOM 1550 CA PHE B 25 12.056 -4.738 5.939 1.00 1.85 C ATOM 1551 C PHE B 25 11.057 -5.276 6.954 1.00 2.01 C ATOM 1552 O PHE B 25 10.013 -5.801 6.576 1.00 2.00 O ATOM 1553 CB PHE B 25 11.894 -3.223 5.796 1.00 1.77 C ATOM 1554 CG PHE B 25 10.619 -2.801 5.121 1.00 1.55 C ATOM 1555 CD1 PHE B 25 9.436 -2.705 5.838 1.00 1.98 C ATOM 1556 CD2 PHE B 25 10.607 -2.490 3.772 1.00 1.69 C ATOM 1557 CE1 PHE B 25 8.267 -2.305 5.219 1.00 2.46 C ATOM 1558 CE2 PHE B 25 9.443 -2.092 3.149 1.00 2.12 C ATOM 1559 CZ PHE B 25 8.270 -1.998 3.872 1.00 2.49 C ATOM 0 H PHE B 25 10.983 -5.552 4.326 1.00 1.59 H new ATOM 0 HA PHE B 25 13.054 -4.963 6.316 1.00 1.85 H new ATOM 0 HB2 PHE B 25 11.935 -2.769 6.786 1.00 1.77 H new ATOM 0 HB3 PHE B 25 12.739 -2.830 5.230 1.00 1.77 H new ATOM 0 HD1 PHE B 25 9.428 -2.945 6.891 1.00 1.98 H new ATOM 0 HD2 PHE B 25 11.521 -2.560 3.200 1.00 1.69 H new ATOM 0 HE1 PHE B 25 7.352 -2.232 5.788 1.00 2.46 H new ATOM 0 HE2 PHE B 25 9.449 -1.854 2.096 1.00 2.12 H new ATOM 0 HZ PHE B 25 7.358 -1.685 3.386 1.00 2.49 H new ATOM 1569 N ARG B 26 11.374 -5.153 8.239 1.00 2.36 N ATOM 1570 CA ARG B 26 10.466 -5.604 9.290 1.00 2.64 C ATOM 1571 C ARG B 26 9.912 -4.408 10.057 1.00 2.55 C ATOM 1572 O ARG B 26 10.240 -3.265 9.744 1.00 2.38 O ATOM 1573 CB ARG B 26 11.180 -6.566 10.243 1.00 3.25 C ATOM 1574 CG ARG B 26 11.673 -7.836 9.565 1.00 3.51 C ATOM 1575 CD ARG B 26 12.239 -8.824 10.571 1.00 4.14 C ATOM 1576 NE ARG B 26 12.671 -10.066 9.931 1.00 4.69 N ATOM 1577 CZ ARG B 26 12.798 -11.225 10.572 1.00 5.47 C ATOM 1578 NH1 ARG B 26 12.523 -11.307 11.866 1.00 5.83 N ATOM 1579 NH2 ARG B 26 13.198 -12.304 9.914 1.00 6.21 N ATOM 0 H ARG B 26 12.247 -4.748 8.577 1.00 2.36 H new ATOM 0 HA ARG B 26 9.636 -6.136 8.825 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.028 -6.053 10.697 1.00 3.25 H new ATOM 0 HB3 ARG B 26 10.500 -6.835 11.052 1.00 3.25 H new ATOM 0 HG2 ARG B 26 10.851 -8.301 9.021 1.00 3.51 H new ATOM 0 HG3 ARG B 26 12.439 -7.584 8.832 1.00 3.51 H new ATOM 0 HD2 ARG B 26 13.083 -8.370 11.090 1.00 4.14 H new ATOM 0 HD3 ARG B 26 11.484 -9.047 11.325 1.00 4.14 H new ATOM 0 HE ARG B 26 12.888 -10.042 8.935 1.00 4.69 H new ATOM 0 HH11 ARG B 26 12.212 -10.479 12.375 1.00 5.83 H new ATOM 0 HH12 ARG B 26 12.622 -12.198 12.353 1.00 5.83 H new ATOM 0 HH21 ARG B 26 13.408 -12.245 8.918 1.00 6.21 H new ATOM 0 HH22 ARG B 26 13.296 -13.193 10.404 1.00 6.21 H new ATOM 1593 N GLU B 27 9.068 -4.670 11.052 1.00 2.79 N ATOM 1594 CA GLU B 27 8.482 -3.601 11.861 1.00 2.80 C ATOM 1595 C GLU B 27 9.460 -3.169 12.951 1.00 3.17 C ATOM 1596 O GLU B 27 10.161 -3.995 13.539 1.00 3.57 O ATOM 1597 CB GLU B 27 7.162 -4.067 12.486 1.00 3.01 C ATOM 1598 CG GLU B 27 6.463 -3.000 13.313 1.00 2.98 C ATOM 1599 CD GLU B 27 5.188 -3.509 13.962 1.00 3.49 C ATOM 1600 OE1 GLU B 27 4.124 -3.443 13.311 1.00 3.83 O ATOM 1601 OE2 GLU B 27 5.255 -3.975 15.118 1.00 3.87 O ATOM 0 H GLU B 27 8.774 -5.610 11.318 1.00 2.79 H new ATOM 0 HA GLU B 27 8.278 -2.747 11.215 1.00 2.80 H new ATOM 0 HB2 GLU B 27 6.491 -4.395 11.692 1.00 3.01 H new ATOM 0 HB3 GLU B 27 7.356 -4.934 13.118 1.00 3.01 H new ATOM 0 HG2 GLU B 27 7.142 -2.642 14.086 1.00 2.98 H new ATOM 0 HG3 GLU B 27 6.227 -2.148 12.676 1.00 2.98 H new ATOM 1608 N GLY B 28 9.498 -1.860 13.207 1.00 3.14 N ATOM 1609 CA GLY B 28 10.420 -1.310 14.190 1.00 3.60 C ATOM 1610 C GLY B 28 11.788 -1.080 13.574 1.00 3.75 C ATOM 1611 O GLY B 28 12.799 -0.986 14.271 1.00 4.23 O ATOM 0 H GLY B 28 8.904 -1.169 12.749 1.00 3.14 H new ATOM 0 HA2 GLY B 28 10.028 -0.370 14.578 1.00 3.60 H new ATOM 0 HA3 GLY B 28 10.507 -1.992 15.036 1.00 3.60 H new ATOM 1615 N GLU B 29 11.789 -0.989 12.246 1.00 3.41 N ATOM 1616 CA GLU B 29 13.001 -0.814 11.451 1.00 3.61 C ATOM 1617 C GLU B 29 13.241 0.640 11.026 1.00 3.65 C ATOM 1618 O GLU B 29 12.456 1.540 11.326 1.00 3.39 O ATOM 1619 CB GLU B 29 12.957 -1.724 10.218 1.00 3.33 C ATOM 1620 CG GLU B 29 14.296 -2.360 9.868 1.00 3.45 C ATOM 1621 CD GLU B 29 14.288 -3.009 8.498 1.00 3.74 C ATOM 1622 OE1 GLU B 29 14.307 -2.270 7.491 1.00 3.93 O ATOM 1623 OE2 GLU B 29 14.266 -4.257 8.431 1.00 4.19 O ATOM 0 H GLU B 29 10.938 -1.035 11.686 1.00 3.41 H new ATOM 0 HA GLU B 29 13.838 -1.094 12.091 1.00 3.61 H new ATOM 0 HB2 GLU B 29 12.225 -2.514 10.388 1.00 3.33 H new ATOM 0 HB3 GLU B 29 12.608 -1.144 9.364 1.00 3.33 H new ATOM 0 HG2 GLU B 29 15.076 -1.600 9.902 1.00 3.45 H new ATOM 0 HG3 GLU B 29 14.547 -3.108 10.620 1.00 3.45 H new ATOM 1630 N ILE B 30 14.334 0.814 10.324 1.00 4.10 N ATOM 1631 CA ILE B 30 14.746 2.132 9.842 1.00 4.32 C ATOM 1632 C ILE B 30 15.211 2.062 8.393 1.00 4.27 C ATOM 1633 O ILE B 30 16.214 1.417 8.081 1.00 4.58 O ATOM 1634 CB ILE B 30 15.871 2.740 10.709 1.00 4.94 C ATOM 1635 CG1 ILE B 30 15.413 2.881 12.167 1.00 5.06 C ATOM 1636 CG2 ILE B 30 16.302 4.092 10.149 1.00 5.23 C ATOM 1637 CD1 ILE B 30 14.333 3.925 12.374 1.00 4.81 C ATOM 0 H ILE B 30 14.968 0.058 10.066 1.00 4.10 H new ATOM 0 HA ILE B 30 13.870 2.777 9.912 1.00 4.32 H new ATOM 0 HB ILE B 30 16.728 2.067 10.684 1.00 4.94 H new ATOM 0 HG12 ILE B 30 15.044 1.917 12.516 1.00 5.06 H new ATOM 0 HG13 ILE B 30 16.274 3.136 12.785 1.00 5.06 H new ATOM 0 HG21 ILE B 30 17.095 4.507 10.771 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.669 3.964 9.131 1.00 5.23 H new ATOM 0 HG23 ILE B 30 15.450 4.772 10.145 1.00 5.23 H new ATOM 0 HD11 ILE B 30 14.063 3.965 13.429 1.00 4.81 H new ATOM 0 HD12 ILE B 30 14.704 4.900 12.057 1.00 4.81 H new ATOM 0 HD13 ILE B 30 13.455 3.662 11.785 1.00 4.81 H new ATOM 1649 N ILE B 31 14.476 2.730 7.512 1.00 3.95 N ATOM 1650 CA ILE B 31 14.801 2.747 6.089 1.00 3.95 C ATOM 1651 C ILE B 31 15.193 4.146 5.631 1.00 4.46 C ATOM 1652 O ILE B 31 14.666 5.143 6.127 1.00 4.64 O ATOM 1653 CB ILE B 31 13.615 2.249 5.237 1.00 3.46 C ATOM 1654 CG1 ILE B 31 13.134 0.884 5.740 1.00 2.97 C ATOM 1655 CG2 ILE B 31 14.011 2.173 3.766 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.936 0.346 4.989 1.00 2.59 C ATOM 0 H ILE B 31 13.647 3.270 7.759 1.00 3.95 H new ATOM 0 HA ILE B 31 15.647 2.074 5.948 1.00 3.95 H new ATOM 0 HB ILE B 31 12.794 2.959 5.333 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.953 0.169 5.661 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.882 0.965 6.798 1.00 2.97 H new ATOM 0 HG21 ILE B 31 13.163 1.820 3.179 1.00 3.48 H new ATOM 0 HG22 ILE B 31 14.307 3.162 3.417 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.846 1.482 3.649 1.00 3.48 H new ATOM 0 HD11 ILE B 31 11.653 -0.623 5.401 1.00 2.59 H new ATOM 0 HD12 ILE B 31 11.102 1.040 5.089 1.00 2.59 H new ATOM 0 HD13 ILE B 31 12.189 0.232 3.935 1.00 2.59 H new ATOM 1668 N HIS B 32 16.122 4.211 4.681 1.00 4.75 N ATOM 1669 CA HIS B 32 16.565 5.484 4.126 1.00 5.28 C ATOM 1670 C HIS B 32 15.823 5.757 2.822 1.00 5.20 C ATOM 1671 O HIS B 32 15.779 4.906 1.936 1.00 5.08 O ATOM 1672 CB HIS B 32 18.075 5.468 3.882 1.00 5.69 C ATOM 1673 CG HIS B 32 18.591 6.729 3.262 1.00 6.15 C ATOM 1674 ND1 HIS B 32 19.256 6.754 2.055 1.00 6.55 N ATOM 1675 CD2 HIS B 32 18.536 8.013 3.687 1.00 6.53 C ATOM 1676 CE1 HIS B 32 19.588 7.999 1.763 1.00 7.12 C ATOM 1677 NE2 HIS B 32 19.162 8.781 2.737 1.00 7.14 N ATOM 0 H HIS B 32 16.583 3.394 4.280 1.00 4.75 H new ATOM 0 HA HIS B 32 16.344 6.278 4.840 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.587 5.302 4.830 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.322 4.626 3.235 1.00 5.69 H new ATOM 0 HD2 HIS B 32 18.084 8.367 4.602 1.00 6.53 H new ATOM 0 HE1 HIS B 32 20.117 8.322 0.879 1.00 7.12 H new ATOM 0 HE2 HIS B 32 19.279 9.793 2.777 1.00 7.14 H new ATOM 1686 N LEU B 33 15.243 6.947 2.707 1.00 5.34 N ATOM 1687 CA LEU B 33 14.490 7.310 1.510 1.00 5.40 C ATOM 1688 C LEU B 33 15.424 7.694 0.367 1.00 5.86 C ATOM 1689 O LEU B 33 16.091 8.730 0.409 1.00 6.33 O ATOM 1690 CB LEU B 33 13.514 8.451 1.817 1.00 5.56 C ATOM 1691 CG LEU B 33 12.528 8.800 0.693 1.00 5.46 C ATOM 1692 CD1 LEU B 33 13.177 9.731 -0.325 1.00 5.60 C ATOM 1693 CD2 LEU B 33 12.016 7.537 0.008 1.00 5.63 C ATOM 0 H LEU B 33 15.279 7.673 3.423 1.00 5.34 H new ATOM 0 HA LEU B 33 13.917 6.438 1.194 1.00 5.40 H new ATOM 0 HB2 LEU B 33 12.944 8.188 2.708 1.00 5.56 H new ATOM 0 HB3 LEU B 33 14.091 9.343 2.060 1.00 5.56 H new ATOM 0 HG LEU B 33 11.678 9.316 1.140 1.00 5.46 H new ATOM 0 HD11 LEU B 33 12.461 9.965 -1.112 1.00 5.60 H new ATOM 0 HD12 LEU B 33 13.487 10.652 0.170 1.00 5.60 H new ATOM 0 HD13 LEU B 33 14.048 9.243 -0.761 1.00 5.60 H new ATOM 0 HD21 LEU B 33 11.319 7.810 -0.784 1.00 5.63 H new ATOM 0 HD22 LEU B 33 12.856 6.989 -0.420 1.00 5.63 H new ATOM 0 HD23 LEU B 33 11.507 6.908 0.738 1.00 5.63 H new ATOM 1705 N ILE B 34 15.463 6.840 -0.647 1.00 5.75 N ATOM 1706 CA ILE B 34 16.300 7.065 -1.819 1.00 6.18 C ATOM 1707 C ILE B 34 15.602 7.971 -2.833 1.00 6.46 C ATOM 1708 O ILE B 34 16.113 9.037 -3.179 1.00 6.97 O ATOM 1709 CB ILE B 34 16.678 5.731 -2.501 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.481 4.843 -1.542 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.467 5.983 -3.781 1.00 6.44 C ATOM 1712 CD1 ILE B 34 18.811 5.439 -1.123 1.00 6.06 C ATOM 0 H ILE B 34 14.920 5.977 -0.681 1.00 5.75 H new ATOM 0 HA ILE B 34 17.209 7.556 -1.471 1.00 6.18 H new ATOM 0 HB ILE B 34 15.757 5.211 -2.764 1.00 5.96 H new ATOM 0 HG12 ILE B 34 16.882 4.652 -0.651 1.00 5.72 H new ATOM 0 HG13 ILE B 34 17.660 3.879 -2.018 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.723 5.030 -4.244 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.863 6.572 -4.471 1.00 6.44 H new ATOM 0 HG23 ILE B 34 18.381 6.528 -3.544 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.320 4.753 -0.446 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.430 5.604 -2.005 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.641 6.389 -0.617 1.00 6.06 H new ATOM 1724 N SER B 35 14.431 7.541 -3.300 1.00 6.18 N ATOM 1725 CA SER B 35 13.671 8.312 -4.285 1.00 6.50 C ATOM 1726 C SER B 35 12.190 7.937 -4.298 1.00 6.25 C ATOM 1727 O SER B 35 11.832 6.782 -4.527 1.00 5.79 O ATOM 1728 CB SER B 35 14.259 8.110 -5.685 1.00 6.64 C ATOM 1729 OG SER B 35 15.590 8.587 -5.758 1.00 7.03 O ATOM 0 H SER B 35 13.989 6.667 -3.015 1.00 6.18 H new ATOM 0 HA SER B 35 13.748 9.360 -3.996 1.00 6.50 H new ATOM 0 HB2 SER B 35 14.235 7.051 -5.942 1.00 6.64 H new ATOM 0 HB3 SER B 35 13.643 8.630 -6.419 1.00 6.64 H new ATOM 0 HG SER B 35 15.783 9.140 -4.972 1.00 7.03 H new ATOM 1735 N LYS B 36 11.336 8.929 -4.050 1.00 6.58 N ATOM 1736 CA LYS B 36 9.887 8.729 -4.055 1.00 6.47 C ATOM 1737 C LYS B 36 9.355 8.528 -5.476 1.00 6.70 C ATOM 1738 O LYS B 36 8.143 8.457 -5.684 1.00 6.67 O ATOM 1739 CB LYS B 36 9.189 9.929 -3.406 1.00 6.78 C ATOM 1740 CG LYS B 36 9.544 10.119 -1.940 1.00 6.60 C ATOM 1741 CD LYS B 36 8.855 11.340 -1.346 1.00 6.92 C ATOM 1742 CE LYS B 36 9.219 11.526 0.119 1.00 7.04 C ATOM 1743 NZ LYS B 36 8.490 12.672 0.728 1.00 7.52 N ATOM 0 H LYS B 36 11.625 9.885 -3.842 1.00 6.58 H new ATOM 0 HA LYS B 36 9.673 7.827 -3.481 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.453 10.833 -3.955 1.00 6.78 H new ATOM 0 HB3 LYS B 36 8.110 9.804 -3.497 1.00 6.78 H new ATOM 0 HG2 LYS B 36 9.257 9.230 -1.378 1.00 6.60 H new ATOM 0 HG3 LYS B 36 10.624 10.225 -1.838 1.00 6.60 H new ATOM 0 HD2 LYS B 36 9.139 12.229 -1.909 1.00 6.92 H new ATOM 0 HD3 LYS B 36 7.775 11.233 -1.443 1.00 6.92 H new ATOM 0 HE2 LYS B 36 8.988 10.614 0.670 1.00 7.04 H new ATOM 0 HE3 LYS B 36 10.293 11.689 0.209 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 8.764 12.767 1.727 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 8.730 13.546 0.218 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 7.465 12.505 0.665 1.00 7.52 H new ATOM 1757 N GLU B 37 10.265 8.431 -6.452 1.00 7.01 N ATOM 1758 CA GLU B 37 9.881 8.220 -7.847 1.00 7.29 C ATOM 1759 C GLU B 37 10.520 6.945 -8.392 1.00 7.12 C ATOM 1760 O GLU B 37 11.723 6.914 -8.655 1.00 7.28 O ATOM 1761 CB GLU B 37 10.313 9.417 -8.700 1.00 7.94 C ATOM 1762 CG GLU B 37 9.489 10.675 -8.458 1.00 8.15 C ATOM 1763 CD GLU B 37 9.559 11.161 -7.023 1.00 8.62 C ATOM 1764 OE1 GLU B 37 10.680 11.437 -6.541 1.00 8.93 O ATOM 1765 OE2 GLU B 37 8.495 11.260 -6.376 1.00 8.92 O ATOM 0 H GLU B 37 11.271 8.496 -6.299 1.00 7.01 H new ATOM 0 HA GLU B 37 8.797 8.118 -7.892 1.00 7.29 H new ATOM 0 HB2 GLU B 37 11.361 9.636 -8.497 1.00 7.94 H new ATOM 0 HB3 GLU B 37 10.242 9.145 -9.753 1.00 7.94 H new ATOM 0 HG2 GLU B 37 9.840 11.466 -9.121 1.00 8.15 H new ATOM 0 HG3 GLU B 37 8.449 10.478 -8.719 1.00 8.15 H new ATOM 1772 N THR B 38 9.717 5.890 -8.552 1.00 6.83 N ATOM 1773 CA THR B 38 10.219 4.613 -9.057 1.00 6.67 C ATOM 1774 C THR B 38 9.610 4.260 -10.411 1.00 7.05 C ATOM 1775 O THR B 38 9.962 3.245 -11.013 1.00 7.02 O ATOM 1776 CB THR B 38 9.904 3.476 -8.067 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.498 3.195 -8.071 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.339 3.855 -6.661 1.00 5.76 C ATOM 0 H THR B 38 8.719 5.896 -8.339 1.00 6.83 H new ATOM 0 HA THR B 38 11.297 4.723 -9.172 1.00 6.67 H new ATOM 0 HB THR B 38 10.453 2.588 -8.380 1.00 6.06 H new ATOM 0 HG1 THR B 38 8.085 3.581 -7.271 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.108 3.039 -5.976 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.412 4.044 -6.651 1.00 5.76 H new ATOM 0 HG23 THR B 38 9.809 4.754 -6.346 1.00 5.76 H new ATOM 1786 N GLY B 39 8.692 5.102 -10.882 1.00 7.47 N ATOM 1787 CA GLY B 39 8.042 4.855 -12.158 1.00 7.90 C ATOM 1788 C GLY B 39 6.758 4.065 -12.004 1.00 7.94 C ATOM 1789 O GLY B 39 5.996 3.912 -12.961 1.00 8.42 O ATOM 0 H GLY B 39 8.387 5.950 -10.403 1.00 7.47 H new ATOM 0 HA2 GLY B 39 7.825 5.807 -12.643 1.00 7.90 H new ATOM 0 HA3 GLY B 39 8.724 4.312 -12.812 1.00 7.90 H new ATOM 1793 N GLU B 40 6.517 3.561 -10.787 1.00 7.48 N ATOM 1794 CA GLU B 40 5.317 2.783 -10.494 1.00 7.53 C ATOM 1795 C GLU B 40 4.506 3.448 -9.386 1.00 7.35 C ATOM 1796 O GLU B 40 4.989 3.611 -8.264 1.00 6.94 O ATOM 1797 CB GLU B 40 5.686 1.353 -10.077 1.00 7.20 C ATOM 1798 CG GLU B 40 6.057 0.441 -11.239 1.00 7.44 C ATOM 1799 CD GLU B 40 7.290 0.909 -11.989 1.00 7.63 C ATOM 1800 OE1 GLU B 40 8.394 0.864 -11.407 1.00 7.96 O ATOM 1801 OE2 GLU B 40 7.150 1.322 -13.159 1.00 7.73 O ATOM 0 H GLU B 40 7.142 3.681 -9.990 1.00 7.48 H new ATOM 0 HA GLU B 40 4.713 2.741 -11.401 1.00 7.53 H new ATOM 0 HB2 GLU B 40 6.523 1.394 -9.380 1.00 7.20 H new ATOM 0 HB3 GLU B 40 4.845 0.915 -9.540 1.00 7.20 H new ATOM 0 HG2 GLU B 40 6.229 -0.567 -10.862 1.00 7.44 H new ATOM 0 HG3 GLU B 40 5.217 0.384 -11.931 1.00 7.44 H new ATOM 1808 N ALA B 41 3.274 3.833 -9.709 1.00 7.70 N ATOM 1809 CA ALA B 41 2.386 4.476 -8.745 1.00 7.61 C ATOM 1810 C ALA B 41 2.178 3.598 -7.514 1.00 7.15 C ATOM 1811 O ALA B 41 1.871 2.412 -7.628 1.00 7.30 O ATOM 1812 CB ALA B 41 1.049 4.789 -9.400 1.00 8.20 C ATOM 0 H ALA B 41 2.867 3.710 -10.636 1.00 7.70 H new ATOM 0 HA ALA B 41 2.853 5.405 -8.419 1.00 7.61 H new ATOM 0 HB1 ALA B 41 0.392 5.269 -8.675 1.00 8.20 H new ATOM 0 HB2 ALA B 41 1.206 5.459 -10.246 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.590 3.864 -9.750 1.00 8.20 H new ATOM 1818 N GLY B 42 2.350 4.198 -6.335 1.00 6.68 N ATOM 1819 CA GLY B 42 2.193 3.469 -5.088 1.00 6.22 C ATOM 1820 C GLY B 42 3.484 2.807 -4.636 1.00 5.64 C ATOM 1821 O GLY B 42 3.503 2.115 -3.617 1.00 5.21 O ATOM 0 H GLY B 42 2.597 5.181 -6.224 1.00 6.68 H new ATOM 0 HA2 GLY B 42 1.848 4.152 -4.312 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.422 2.709 -5.210 1.00 6.22 H new ATOM 1825 N TRP B 43 4.564 3.018 -5.390 1.00 5.67 N ATOM 1826 CA TRP B 43 5.856 2.417 -5.061 1.00 5.17 C ATOM 1827 C TRP B 43 6.936 3.472 -4.829 1.00 5.12 C ATOM 1828 O TRP B 43 7.168 4.340 -5.672 1.00 5.51 O ATOM 1829 CB TRP B 43 6.313 1.488 -6.190 1.00 5.28 C ATOM 1830 CG TRP B 43 5.519 0.223 -6.305 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.290 0.072 -6.881 1.00 5.83 C ATOM 1832 CD2 TRP B 43 5.908 -1.075 -5.842 1.00 4.91 C ATOM 1833 NE1 TRP B 43 3.891 -1.241 -6.802 1.00 5.80 N ATOM 1834 CE2 TRP B 43 4.868 -1.964 -6.169 1.00 5.25 C ATOM 1835 CE3 TRP B 43 7.036 -1.570 -5.182 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 4.924 -3.321 -5.859 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 7.091 -2.915 -4.875 1.00 4.21 C ATOM 1838 CH2 TRP B 43 6.041 -3.778 -5.215 1.00 4.58 C ATOM 0 H TRP B 43 4.569 3.598 -6.229 1.00 5.67 H new ATOM 0 HA TRP B 43 5.717 1.853 -4.139 1.00 5.17 H new ATOM 0 HB2 TRP B 43 6.254 2.028 -7.135 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.361 1.233 -6.033 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.716 0.868 -7.332 1.00 5.83 H new ATOM 0 HE1 TRP B 43 3.011 -1.616 -7.157 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.850 -0.912 -4.917 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 4.115 -3.988 -6.118 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 7.958 -3.308 -4.364 1.00 4.21 H new ATOM 0 HH2 TRP B 43 6.115 -4.826 -4.963 1.00 4.58 H new ATOM 1849 N TRP B 44 7.592 3.378 -3.668 1.00 4.72 N ATOM 1850 CA TRP B 44 8.684 4.277 -3.299 1.00 4.75 C ATOM 1851 C TRP B 44 9.986 3.485 -3.298 1.00 4.41 C ATOM 1852 O TRP B 44 9.958 2.255 -3.307 1.00 3.96 O ATOM 1853 CB TRP B 44 8.448 4.870 -1.904 1.00 4.63 C ATOM 1854 CG TRP B 44 7.687 6.163 -1.897 1.00 5.05 C ATOM 1855 CD1 TRP B 44 7.050 6.755 -2.950 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.489 7.025 -0.771 1.00 5.06 C ATOM 1857 NE1 TRP B 44 6.469 7.934 -2.545 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.723 8.119 -1.211 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.886 6.976 0.571 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 6.344 9.155 -0.359 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 7.510 8.003 1.415 1.00 4.91 C ATOM 1862 CH2 TRP B 44 6.745 9.080 0.947 1.00 5.40 C ATOM 0 H TRP B 44 7.379 2.676 -2.959 1.00 4.72 H new ATOM 0 HA TRP B 44 8.735 5.095 -4.018 1.00 4.75 H new ATOM 0 HB2 TRP B 44 7.907 4.141 -1.300 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.413 5.029 -1.423 1.00 4.63 H new ATOM 0 HD1 TRP B 44 7.009 6.356 -3.953 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.936 8.568 -3.141 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.476 6.150 0.940 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 5.755 9.987 -0.717 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 7.810 7.976 2.452 1.00 4.91 H new ATOM 0 HH2 TRP B 44 6.466 9.867 1.632 1.00 5.40 H new ATOM 1873 N LYS B 45 11.125 4.176 -3.287 1.00 4.69 N ATOM 1874 CA LYS B 45 12.415 3.496 -3.280 1.00 4.50 C ATOM 1875 C LYS B 45 13.216 3.865 -2.039 1.00 4.49 C ATOM 1876 O LYS B 45 13.374 5.042 -1.714 1.00 4.93 O ATOM 1877 CB LYS B 45 13.216 3.829 -4.542 1.00 4.91 C ATOM 1878 CG LYS B 45 14.498 3.018 -4.679 1.00 4.77 C ATOM 1879 CD LYS B 45 15.057 3.080 -6.094 1.00 5.23 C ATOM 1880 CE LYS B 45 15.374 4.508 -6.514 1.00 5.18 C ATOM 1881 NZ LYS B 45 15.987 4.565 -7.870 1.00 5.33 N ATOM 0 H LYS B 45 11.179 5.195 -3.283 1.00 4.69 H new ATOM 0 HA LYS B 45 12.224 2.423 -3.264 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.590 3.655 -5.417 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.466 4.890 -4.535 1.00 4.91 H new ATOM 0 HG2 LYS B 45 15.243 3.394 -3.977 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.302 1.980 -4.411 1.00 4.77 H new ATOM 0 HD2 LYS B 45 15.961 2.474 -6.155 1.00 5.23 H new ATOM 0 HD3 LYS B 45 14.337 2.648 -6.789 1.00 5.23 H new ATOM 0 HE2 LYS B 45 14.459 5.101 -6.504 1.00 5.18 H new ATOM 0 HE3 LYS B 45 16.053 4.957 -5.789 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 16.188 5.555 -8.119 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 16.873 4.020 -7.874 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 15.329 4.160 -8.566 1.00 5.33 H new ATOM 1895 N GLY B 46 13.716 2.844 -1.356 1.00 4.06 N ATOM 1896 CA GLY B 46 14.500 3.061 -0.155 1.00 4.14 C ATOM 1897 C GLY B 46 15.732 2.185 -0.113 1.00 4.03 C ATOM 1898 O GLY B 46 15.938 1.349 -0.995 1.00 3.73 O ATOM 0 H GLY B 46 13.592 1.865 -1.613 1.00 4.06 H new ATOM 0 HA2 GLY B 46 14.798 4.108 -0.102 1.00 4.14 H new ATOM 0 HA3 GLY B 46 13.883 2.860 0.721 1.00 4.14 H new ATOM 1902 N GLU B 47 16.562 2.382 0.906 1.00 4.35 N ATOM 1903 CA GLU B 47 17.779 1.603 1.072 1.00 4.42 C ATOM 1904 C GLU B 47 17.922 1.147 2.513 1.00 4.29 C ATOM 1905 O GLU B 47 17.732 1.927 3.447 1.00 4.48 O ATOM 1906 CB GLU B 47 19.000 2.432 0.667 1.00 5.05 C ATOM 1907 CG GLU B 47 20.330 1.778 1.016 1.00 5.29 C ATOM 1908 CD GLU B 47 21.521 2.570 0.508 1.00 5.65 C ATOM 1909 OE1 GLU B 47 21.833 3.620 1.109 1.00 5.74 O ATOM 1910 OE2 GLU B 47 22.138 2.143 -0.489 1.00 6.02 O ATOM 0 H GLU B 47 16.410 3.081 1.633 1.00 4.35 H new ATOM 0 HA GLU B 47 17.717 0.726 0.428 1.00 4.42 H new ATOM 0 HB2 GLU B 47 18.965 2.612 -0.407 1.00 5.05 H new ATOM 0 HB3 GLU B 47 18.945 3.405 1.155 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.405 1.670 2.098 1.00 5.29 H new ATOM 0 HG3 GLU B 47 20.359 0.774 0.593 1.00 5.29 H new ATOM 1917 N LEU B 48 18.260 -0.124 2.676 1.00 4.02 N ATOM 1918 CA LEU B 48 18.480 -0.698 3.991 1.00 3.99 C ATOM 1919 C LEU B 48 19.872 -1.305 4.040 1.00 4.21 C ATOM 1920 O LEU B 48 20.279 -2.026 3.131 1.00 4.01 O ATOM 1921 CB LEU B 48 17.415 -1.743 4.332 1.00 3.43 C ATOM 1922 CG LEU B 48 17.554 -2.391 5.713 1.00 3.46 C ATOM 1923 CD1 LEU B 48 17.308 -1.369 6.813 1.00 3.78 C ATOM 1924 CD2 LEU B 48 16.600 -3.570 5.848 1.00 2.98 C ATOM 0 H LEU B 48 18.388 -0.780 1.906 1.00 4.02 H new ATOM 0 HA LEU B 48 18.401 0.091 4.739 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.434 -1.273 4.266 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.444 -2.528 3.576 1.00 3.43 H new ATOM 0 HG LEU B 48 18.573 -2.763 5.817 1.00 3.46 H new ATOM 0 HD11 LEU B 48 17.411 -1.850 7.786 1.00 3.78 H new ATOM 0 HD12 LEU B 48 18.035 -0.561 6.728 1.00 3.78 H new ATOM 0 HD13 LEU B 48 16.301 -0.963 6.714 1.00 3.78 H new ATOM 0 HD21 LEU B 48 16.713 -4.018 6.835 1.00 2.98 H new ATOM 0 HD22 LEU B 48 15.574 -3.224 5.721 1.00 2.98 H new ATOM 0 HD23 LEU B 48 16.829 -4.313 5.084 1.00 2.98 H new ATOM 1936 N ASN B 49 20.582 -0.995 5.119 1.00 4.70 N ATOM 1937 CA ASN B 49 21.970 -1.408 5.330 1.00 5.05 C ATOM 1938 C ASN B 49 22.390 -2.633 4.513 1.00 5.24 C ATOM 1939 O ASN B 49 22.400 -3.758 5.013 1.00 5.39 O ATOM 1940 CB ASN B 49 22.251 -1.623 6.817 1.00 4.80 C ATOM 1941 CG ASN B 49 21.220 -2.516 7.483 1.00 4.86 C ATOM 1942 OD1 ASN B 49 21.379 -3.736 7.533 1.00 5.32 O ATOM 1943 ND2 ASN B 49 20.156 -1.911 7.998 1.00 4.62 N ATOM 0 H ASN B 49 20.205 -0.440 5.887 1.00 4.70 H new ATOM 0 HA ASN B 49 22.583 -0.585 4.961 1.00 5.05 H new ATOM 0 HB2 ASN B 49 23.240 -2.065 6.936 1.00 4.80 H new ATOM 0 HB3 ASN B 49 22.271 -0.658 7.323 1.00 4.80 H new ATOM 0 HD21 ASN B 49 19.430 -2.460 8.458 1.00 4.62 H new ATOM 0 HD22 ASN B 49 20.065 -0.897 7.934 1.00 4.62 H new ATOM 1950 N GLY B 50 22.723 -2.391 3.236 1.00 5.30 N ATOM 1951 CA GLY B 50 23.180 -3.465 2.370 1.00 5.53 C ATOM 1952 C GLY B 50 22.397 -3.616 1.076 1.00 5.10 C ATOM 1953 O GLY B 50 22.998 -3.667 0.002 1.00 5.29 O ATOM 0 H GLY B 50 22.682 -1.473 2.794 1.00 5.30 H new ATOM 0 HA2 GLY B 50 24.229 -3.295 2.126 1.00 5.53 H new ATOM 0 HA3 GLY B 50 23.129 -4.404 2.921 1.00 5.53 H new ATOM 1957 N LYS B 51 21.071 -3.685 1.153 1.00 4.57 N ATOM 1958 CA LYS B 51 20.254 -3.840 -0.055 1.00 4.17 C ATOM 1959 C LYS B 51 19.419 -2.596 -0.348 1.00 3.96 C ATOM 1960 O LYS B 51 19.087 -1.827 0.551 1.00 3.78 O ATOM 1961 CB LYS B 51 19.330 -5.054 0.075 1.00 3.78 C ATOM 1962 CG LYS B 51 20.056 -6.391 0.055 1.00 4.06 C ATOM 1963 CD LYS B 51 20.780 -6.662 1.366 1.00 4.39 C ATOM 1964 CE LYS B 51 21.379 -8.060 1.393 1.00 4.78 C ATOM 1965 NZ LYS B 51 22.423 -8.238 0.348 1.00 5.33 N ATOM 0 H LYS B 51 20.542 -3.637 2.024 1.00 4.57 H new ATOM 0 HA LYS B 51 20.943 -3.988 -0.887 1.00 4.17 H new ATOM 0 HB2 LYS B 51 18.768 -4.972 1.005 1.00 3.78 H new ATOM 0 HB3 LYS B 51 18.605 -5.034 -0.738 1.00 3.78 H new ATOM 0 HG2 LYS B 51 19.340 -7.190 -0.137 1.00 4.06 H new ATOM 0 HG3 LYS B 51 20.774 -6.402 -0.765 1.00 4.06 H new ATOM 0 HD2 LYS B 51 21.570 -5.924 1.506 1.00 4.39 H new ATOM 0 HD3 LYS B 51 20.085 -6.547 2.197 1.00 4.39 H new ATOM 0 HE2 LYS B 51 21.812 -8.250 2.375 1.00 4.78 H new ATOM 0 HE3 LYS B 51 20.589 -8.796 1.245 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 22.876 -9.167 0.465 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 21.985 -8.183 -0.594 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 23.139 -7.489 0.441 1.00 5.33 H new ATOM 1979 N GLU B 52 19.095 -2.419 -1.627 1.00 4.08 N ATOM 1980 CA GLU B 52 18.266 -1.310 -2.095 1.00 4.05 C ATOM 1981 C GLU B 52 17.091 -1.880 -2.883 1.00 3.71 C ATOM 1982 O GLU B 52 17.250 -2.858 -3.616 1.00 3.93 O ATOM 1983 CB GLU B 52 19.074 -0.352 -2.974 1.00 4.59 C ATOM 1984 CG GLU B 52 20.229 0.316 -2.247 1.00 4.83 C ATOM 1985 CD GLU B 52 20.905 1.387 -3.083 1.00 5.32 C ATOM 1986 OE1 GLU B 52 21.826 1.045 -3.854 1.00 5.79 O ATOM 1987 OE2 GLU B 52 20.511 2.567 -2.967 1.00 5.49 O ATOM 0 H GLU B 52 19.402 -3.044 -2.372 1.00 4.08 H new ATOM 0 HA GLU B 52 17.904 -0.745 -1.236 1.00 4.05 H new ATOM 0 HB2 GLU B 52 19.464 -0.901 -3.831 1.00 4.59 H new ATOM 0 HB3 GLU B 52 18.408 0.418 -3.365 1.00 4.59 H new ATOM 0 HG2 GLU B 52 19.862 0.760 -1.322 1.00 4.83 H new ATOM 0 HG3 GLU B 52 20.964 -0.440 -1.969 1.00 4.83 H new ATOM 1994 N GLY B 53 15.913 -1.272 -2.736 1.00 3.32 N ATOM 1995 CA GLY B 53 14.753 -1.747 -3.467 1.00 3.12 C ATOM 1996 C GLY B 53 13.538 -0.859 -3.302 1.00 3.18 C ATOM 1997 O GLY B 53 13.609 0.192 -2.663 1.00 3.35 O ATOM 0 H GLY B 53 15.745 -0.469 -2.131 1.00 3.32 H new ATOM 0 HA2 GLY B 53 15.003 -1.817 -4.526 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.507 -2.754 -3.130 1.00 3.12 H new ATOM 2001 N VAL B 54 12.417 -1.286 -3.884 1.00 3.17 N ATOM 2002 CA VAL B 54 11.174 -0.521 -3.813 1.00 3.38 C ATOM 2003 C VAL B 54 10.126 -1.256 -2.989 1.00 3.02 C ATOM 2004 O VAL B 54 10.148 -2.485 -2.899 1.00 2.70 O ATOM 2005 CB VAL B 54 10.606 -0.232 -5.217 1.00 3.83 C ATOM 2006 CG1 VAL B 54 11.539 0.693 -5.986 1.00 4.30 C ATOM 2007 CG2 VAL B 54 10.377 -1.529 -5.983 1.00 3.70 C ATOM 0 H VAL B 54 12.345 -2.157 -4.409 1.00 3.17 H new ATOM 0 HA VAL B 54 11.413 0.426 -3.330 1.00 3.38 H new ATOM 0 HB VAL B 54 9.644 0.267 -5.104 1.00 3.83 H new ATOM 0 HG11 VAL B 54 11.124 0.888 -6.975 1.00 4.30 H new ATOM 0 HG12 VAL B 54 11.646 1.634 -5.446 1.00 4.30 H new ATOM 0 HG13 VAL B 54 12.516 0.221 -6.089 1.00 4.30 H new ATOM 0 HG21 VAL B 54 9.976 -1.302 -6.971 1.00 3.70 H new ATOM 0 HG22 VAL B 54 11.322 -2.061 -6.089 1.00 3.70 H new ATOM 0 HG23 VAL B 54 9.668 -2.153 -5.438 1.00 3.70 H new ATOM 2017 N PHE B 55 9.208 -0.498 -2.384 1.00 3.13 N ATOM 2018 CA PHE B 55 8.168 -1.100 -1.563 1.00 2.90 C ATOM 2019 C PHE B 55 6.784 -0.499 -1.831 1.00 3.35 C ATOM 2020 O PHE B 55 6.640 0.709 -2.027 1.00 3.72 O ATOM 2021 CB PHE B 55 8.523 -0.939 -0.084 1.00 2.46 C ATOM 2022 CG PHE B 55 8.686 0.495 0.346 1.00 2.71 C ATOM 2023 CD1 PHE B 55 9.911 1.133 0.225 1.00 3.05 C ATOM 2024 CD2 PHE B 55 7.615 1.202 0.872 1.00 2.88 C ATOM 2025 CE1 PHE B 55 10.066 2.449 0.619 1.00 3.42 C ATOM 2026 CE2 PHE B 55 7.765 2.518 1.268 1.00 3.20 C ATOM 2027 CZ PHE B 55 8.992 3.142 1.142 1.00 3.42 C ATOM 0 H PHE B 55 9.167 0.519 -2.449 1.00 3.13 H new ATOM 0 HA PHE B 55 8.117 -2.156 -1.827 1.00 2.90 H new ATOM 0 HB2 PHE B 55 7.744 -1.404 0.520 1.00 2.46 H new ATOM 0 HB3 PHE B 55 9.449 -1.478 0.119 1.00 2.46 H new ATOM 0 HD1 PHE B 55 10.755 0.595 -0.182 1.00 3.05 H new ATOM 0 HD2 PHE B 55 6.654 0.720 0.973 1.00 2.88 H new ATOM 0 HE1 PHE B 55 11.025 2.934 0.518 1.00 3.42 H new ATOM 0 HE2 PHE B 55 6.924 3.059 1.676 1.00 3.20 H new ATOM 0 HZ PHE B 55 9.111 4.170 1.452 1.00 3.42 H new ATOM 2037 N PRO B 56 5.750 -1.364 -1.845 1.00 3.43 N ATOM 2038 CA PRO B 56 4.355 -0.986 -2.041 1.00 3.90 C ATOM 2039 C PRO B 56 3.639 -0.831 -0.705 1.00 3.87 C ATOM 2040 O PRO B 56 4.219 -1.078 0.353 1.00 3.45 O ATOM 2041 CB PRO B 56 3.801 -2.184 -2.796 1.00 3.97 C ATOM 2042 CG PRO B 56 4.550 -3.354 -2.242 1.00 3.68 C ATOM 2043 CD PRO B 56 5.865 -2.828 -1.704 1.00 3.17 C ATOM 0 HA PRO B 56 4.232 -0.035 -2.559 1.00 3.90 H new ATOM 0 HB2 PRO B 56 2.727 -2.290 -2.640 1.00 3.97 H new ATOM 0 HB3 PRO B 56 3.959 -2.084 -3.870 1.00 3.97 H new ATOM 0 HG2 PRO B 56 3.977 -3.839 -1.452 1.00 3.68 H new ATOM 0 HG3 PRO B 56 4.722 -4.102 -3.016 1.00 3.68 H new ATOM 0 HD2 PRO B 56 6.015 -3.118 -0.664 1.00 3.17 H new ATOM 0 HD3 PRO B 56 6.712 -3.218 -2.269 1.00 3.17 H new ATOM 2051 N ASP B 57 2.381 -0.385 -0.777 1.00 4.36 N ATOM 2052 CA ASP B 57 1.516 -0.266 0.399 1.00 4.47 C ATOM 2053 C ASP B 57 1.791 0.938 1.285 1.00 4.41 C ATOM 2054 O ASP B 57 0.975 1.246 2.155 1.00 4.40 O ATOM 2055 CB ASP B 57 1.627 -1.528 1.260 1.00 5.09 C ATOM 2056 CG ASP B 57 1.166 -2.779 0.536 1.00 5.56 C ATOM 2057 OD1 ASP B 57 1.878 -3.233 -0.383 1.00 5.85 O ATOM 2058 OD2 ASP B 57 0.091 -3.306 0.891 1.00 5.83 O ATOM 0 H ASP B 57 1.936 -0.098 -1.649 1.00 4.36 H new ATOM 0 HA ASP B 57 0.514 -0.132 -0.007 1.00 4.47 H new ATOM 0 HB2 ASP B 57 2.663 -1.657 1.575 1.00 5.09 H new ATOM 0 HB3 ASP B 57 1.033 -1.398 2.165 1.00 5.09 H new ATOM 2063 N ASN B 58 2.904 1.628 1.096 1.00 4.46 N ATOM 2064 CA ASN B 58 3.241 2.759 1.951 1.00 4.51 C ATOM 2065 C ASN B 58 3.308 2.269 3.395 1.00 3.97 C ATOM 2066 O ASN B 58 2.403 2.509 4.195 1.00 4.05 O ATOM 2067 CB ASN B 58 2.213 3.888 1.806 1.00 4.96 C ATOM 2068 CG ASN B 58 2.735 5.225 2.304 1.00 5.23 C ATOM 2069 OD1 ASN B 58 3.635 5.191 3.281 1.00 5.40 O flip ATOM 2070 ND2 ASN B 58 2.332 6.280 1.814 1.00 5.67 N flip ATOM 0 H ASN B 58 3.586 1.429 0.364 1.00 4.46 H new ATOM 0 HA ASN B 58 4.207 3.166 1.653 1.00 4.51 H new ATOM 0 HB2 ASN B 58 1.928 3.982 0.758 1.00 4.96 H new ATOM 0 HB3 ASN B 58 1.311 3.626 2.359 1.00 4.96 H new ATOM 0 HD21 ASN B 58 1.640 6.263 1.065 1.00 5.67 H new ATOM 0 HD22 ASN B 58 2.690 7.171 2.157 1.00 5.67 H new ATOM 2077 N PHE B 59 4.398 1.574 3.709 1.00 3.50 N ATOM 2078 CA PHE B 59 4.596 1.000 5.036 1.00 3.01 C ATOM 2079 C PHE B 59 5.573 1.813 5.875 1.00 2.75 C ATOM 2080 O PHE B 59 5.942 1.396 6.972 1.00 2.44 O ATOM 2081 CB PHE B 59 5.125 -0.433 4.910 1.00 2.72 C ATOM 2082 CG PHE B 59 4.083 -1.450 4.526 1.00 3.03 C ATOM 2083 CD1 PHE B 59 2.878 -1.522 5.205 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.320 -2.344 3.492 1.00 3.42 C ATOM 2085 CE1 PHE B 59 1.927 -2.463 4.860 1.00 3.86 C ATOM 2086 CE2 PHE B 59 3.374 -3.290 3.145 1.00 3.79 C ATOM 2087 CZ PHE B 59 2.175 -3.348 3.829 1.00 3.89 C ATOM 0 H PHE B 59 5.162 1.394 3.058 1.00 3.50 H new ATOM 0 HA PHE B 59 3.628 1.009 5.537 1.00 3.01 H new ATOM 0 HB2 PHE B 59 5.922 -0.449 4.166 1.00 2.72 H new ATOM 0 HB3 PHE B 59 5.570 -0.728 5.860 1.00 2.72 H new ATOM 0 HD1 PHE B 59 2.679 -0.834 6.014 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.254 -2.300 2.952 1.00 3.42 H new ATOM 0 HE1 PHE B 59 0.990 -2.507 5.396 1.00 3.86 H new ATOM 0 HE2 PHE B 59 3.572 -3.983 2.340 1.00 3.79 H new ATOM 0 HZ PHE B 59 1.433 -4.084 3.558 1.00 3.89 H new ATOM 2097 N ALA B 60 5.996 2.970 5.367 1.00 3.02 N ATOM 2098 CA ALA B 60 6.954 3.798 6.091 1.00 3.01 C ATOM 2099 C ALA B 60 6.571 5.275 6.084 1.00 3.51 C ATOM 2100 O ALA B 60 6.123 5.805 5.065 1.00 3.89 O ATOM 2101 CB ALA B 60 8.344 3.613 5.502 1.00 2.92 C ATOM 0 H ALA B 60 5.694 3.350 4.470 1.00 3.02 H new ATOM 0 HA ALA B 60 6.947 3.472 7.131 1.00 3.01 H new ATOM 0 HB1 ALA B 60 9.055 4.234 6.047 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.638 2.567 5.585 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.336 3.906 4.452 1.00 2.92 H new ATOM 2107 N VAL B 61 6.750 5.927 7.227 1.00 3.59 N ATOM 2108 CA VAL B 61 6.425 7.343 7.368 1.00 4.08 C ATOM 2109 C VAL B 61 7.675 8.183 7.627 1.00 4.32 C ATOM 2110 O VAL B 61 8.473 7.856 8.505 1.00 4.19 O ATOM 2111 CB VAL B 61 5.409 7.574 8.510 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.956 7.061 9.836 1.00 3.91 C ATOM 2113 CG2 VAL B 61 5.036 9.047 8.613 1.00 4.64 C ATOM 0 H VAL B 61 7.120 5.496 8.074 1.00 3.59 H new ATOM 0 HA VAL B 61 5.979 7.658 6.424 1.00 4.08 H new ATOM 0 HB VAL B 61 4.506 7.011 8.277 1.00 4.13 H new ATOM 0 HG11 VAL B 61 5.223 7.235 10.624 1.00 3.91 H new ATOM 0 HG12 VAL B 61 6.158 5.993 9.757 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.879 7.588 10.077 1.00 3.91 H new ATOM 0 HG21 VAL B 61 4.320 9.185 9.423 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.931 9.636 8.815 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.590 9.376 7.674 1.00 4.64 H new ATOM 2123 N GLN B 62 7.847 9.265 6.856 1.00 4.79 N ATOM 2124 CA GLN B 62 9.003 10.142 7.027 1.00 5.14 C ATOM 2125 C GLN B 62 9.106 10.616 8.475 1.00 5.36 C ATOM 2126 O GLN B 62 8.258 11.371 8.952 1.00 5.56 O ATOM 2127 CB GLN B 62 8.909 11.347 6.084 1.00 5.63 C ATOM 2128 CG GLN B 62 10.144 12.239 6.106 1.00 6.02 C ATOM 2129 CD GLN B 62 11.399 11.531 5.623 1.00 6.30 C ATOM 2130 OE1 GLN B 62 12.502 11.817 6.084 1.00 6.28 O ATOM 2131 NE2 GLN B 62 11.238 10.607 4.682 1.00 6.72 N ATOM 0 H GLN B 62 7.205 9.549 6.116 1.00 4.79 H new ATOM 0 HA GLN B 62 9.900 9.575 6.780 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.748 10.990 5.067 1.00 5.63 H new ATOM 0 HB3 GLN B 62 8.037 11.942 6.355 1.00 5.63 H new ATOM 0 HG2 GLN B 62 9.964 13.114 5.481 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.306 12.600 7.122 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.305 10.399 4.326 1.00 6.72 H new ATOM 0 HE22 GLN B 62 12.047 10.106 4.316 1.00 6.72 H new ATOM 2140 N ILE B 63 10.149 10.167 9.167 1.00 5.39 N ATOM 2141 CA ILE B 63 10.368 10.546 10.559 1.00 5.68 C ATOM 2142 C ILE B 63 11.229 11.803 10.653 1.00 6.23 C ATOM 2143 O ILE B 63 11.078 12.603 11.576 1.00 6.54 O ATOM 2144 CB ILE B 63 11.040 9.410 11.361 1.00 5.55 C ATOM 2145 CG1 ILE B 63 12.391 9.037 10.741 1.00 5.23 C ATOM 2146 CG2 ILE B 63 10.122 8.196 11.426 1.00 5.71 C ATOM 2147 CD1 ILE B 63 13.138 7.969 11.512 1.00 5.25 C ATOM 0 H ILE B 63 10.857 9.539 8.786 1.00 5.39 H new ATOM 0 HA ILE B 63 9.387 10.745 10.990 1.00 5.68 H new ATOM 0 HB ILE B 63 11.220 9.761 12.377 1.00 5.55 H new ATOM 0 HG12 ILE B 63 12.230 8.690 9.720 1.00 5.23 H new ATOM 0 HG13 ILE B 63 13.012 9.931 10.680 1.00 5.23 H new ATOM 0 HG21 ILE B 63 10.608 7.403 11.994 1.00 5.71 H new ATOM 0 HG22 ILE B 63 9.188 8.472 11.914 1.00 5.71 H new ATOM 0 HG23 ILE B 63 9.913 7.843 10.416 1.00 5.71 H new ATOM 0 HD11 ILE B 63 14.084 7.756 11.015 1.00 5.25 H new ATOM 0 HD12 ILE B 63 13.331 8.320 12.526 1.00 5.25 H new ATOM 0 HD13 ILE B 63 12.537 7.061 11.551 1.00 5.25 H new ATOM 2159 N SER B 64 12.131 11.967 9.686 1.00 6.41 N ATOM 2160 CA SER B 64 13.024 13.121 9.652 1.00 6.97 C ATOM 2161 C SER B 64 13.825 13.142 8.352 1.00 7.20 C ATOM 2162 O SER B 64 13.523 13.986 7.483 1.00 7.43 O ATOM 2163 CB SER B 64 13.974 13.104 10.854 1.00 7.23 C ATOM 2164 OG SER B 64 14.861 14.209 10.821 1.00 7.19 O ATOM 2165 OXT SER B 64 14.746 12.309 8.213 1.00 7.37 O ATOM 0 H SER B 64 12.262 11.313 8.915 1.00 6.41 H new ATOM 0 HA SER B 64 12.414 14.023 9.702 1.00 6.97 H new ATOM 0 HB2 SER B 64 13.396 13.125 11.778 1.00 7.23 H new ATOM 0 HB3 SER B 64 14.545 12.176 10.857 1.00 7.23 H new ATOM 0 HG SER B 64 15.455 14.175 11.600 1.00 7.19 H new TER 2171 SER B 64