USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 911 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 75 HIS : no HE2:sc= -0.0738 K(o=0.77,f=-0.84) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 79 THR OG1 : rot 170:sc= 0.846 USER MOD Set 2.1: A 47 GLN : amide:sc= 0.244 K(o=0.52,f=0) USER MOD Set 2.2: A 73 TYR OH : rot 161:sc= 0.271 USER MOD Set 3.1: A 35 GLN : amide:sc=-0.00353 X(o=1.1,f=1.1) USER MOD Set 3.2: A 39 THR OG1 : rot 83:sc= 1.09 USER MOD Set 4.1: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 78 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.12) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot -57:sc= 0.837 USER MOD Single : A 6 HIS : no HD1:sc=-0.000769 X(o=-0.00077,f=-0.12) USER MOD Single : A 9 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.022) USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.296 USER MOD Single : A 11 MET CE :methyl 138:sc= -0.191 (180deg=-1.79!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 71:sc= 0.209 USER MOD Single : A 27 HIS : no HD1:sc= -0.66 X(o=-0.66,f=-0.19) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.334 F(o=-1.9,f=-0.33) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.0312 (180deg=-0.284) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.55) USER MOD Single : A 55 LYS NZ :NH3+ 134:sc= 0.146 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -149:sc= 0.0815 USER MOD Single : A 63 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.19) USER MOD Single : A 67 ASN : amide:sc= -0.18 K(o=-0.18,f=-1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.059) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= 0.0595 (180deg=0.0345) USER MOD Single : A 90 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.0088) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0492) USER MOD Single : A 99 TYR OH : rot 33:sc= -1.76! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.00039) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.052 8.282 16.020 1.00 14.04 N ATOM 2 CA GLY A 1 3.831 8.693 14.818 1.00 13.85 C ATOM 3 C GLY A 1 2.943 8.993 13.626 1.00 13.29 C ATOM 4 O GLY A 1 2.280 8.100 13.098 1.00 13.45 O ATOM 0 H1 GLY A 1 3.704 8.088 16.807 1.00 14.04 H new ATOM 0 H2 GLY A 1 2.401 9.047 16.290 1.00 14.04 H new ATOM 0 H3 GLY A 1 2.506 7.424 15.803 1.00 14.04 H new ATOM 0 HA2 GLY A 1 4.423 9.576 15.057 1.00 13.85 H new ATOM 0 HA3 GLY A 1 4.532 7.901 14.555 1.00 13.85 H new ATOM 10 N SER A 2 2.929 10.253 13.204 1.00 12.81 N ATOM 11 CA SER A 2 2.114 10.669 12.067 1.00 12.44 C ATOM 12 C SER A 2 2.824 11.743 11.250 1.00 11.66 C ATOM 13 O SER A 2 2.606 11.865 10.044 1.00 11.62 O ATOM 14 CB SER A 2 0.758 11.192 12.548 1.00 13.00 C ATOM 15 OG SER A 2 0.418 10.643 13.809 1.00 13.39 O ATOM 0 H SER A 2 3.472 11.003 13.631 1.00 12.81 H new ATOM 0 HA SER A 2 1.956 9.799 11.430 1.00 12.44 H new ATOM 0 HB2 SER A 2 0.788 12.279 12.617 1.00 13.00 H new ATOM 0 HB3 SER A 2 -0.012 10.940 11.819 1.00 13.00 H new ATOM 0 HG SER A 2 -0.451 10.994 14.095 1.00 13.39 H new ATOM 21 N HIS A 3 3.675 12.519 11.915 1.00 11.24 N ATOM 22 CA HIS A 3 4.416 13.584 11.249 1.00 10.68 C ATOM 23 C HIS A 3 5.866 13.174 11.011 1.00 9.83 C ATOM 24 O HIS A 3 6.524 12.639 11.904 1.00 9.74 O ATOM 25 CB HIS A 3 4.369 14.867 12.081 1.00 11.22 C ATOM 26 CG HIS A 3 3.379 15.870 11.575 1.00 11.78 C ATOM 27 ND1 HIS A 3 2.083 15.948 12.040 1.00 12.09 N ATOM 28 CD2 HIS A 3 3.501 16.841 10.640 1.00 12.30 C ATOM 29 CE1 HIS A 3 1.449 16.922 11.410 1.00 12.74 C ATOM 30 NE2 HIS A 3 2.288 17.480 10.556 1.00 12.87 N ATOM 0 H HIS A 3 3.868 12.430 12.913 1.00 11.24 H new ATOM 0 HA HIS A 3 3.945 13.767 10.283 1.00 10.68 H new ATOM 0 HB2 HIS A 3 4.123 14.613 13.112 1.00 11.22 H new ATOM 0 HB3 HIS A 3 5.360 15.320 12.092 1.00 11.22 H new ATOM 0 HD2 HIS A 3 4.387 17.071 10.067 1.00 12.30 H new ATOM 0 HE1 HIS A 3 0.421 17.212 11.567 1.00 12.74 H new ATOM 0 HE2 HIS A 3 2.070 18.259 9.935 1.00 12.87 H new ATOM 39 N MET A 4 6.355 13.424 9.801 1.00 9.43 N ATOM 40 CA MET A 4 7.728 13.086 9.444 1.00 8.83 C ATOM 41 C MET A 4 8.359 14.195 8.610 1.00 8.04 C ATOM 42 O MET A 4 9.525 14.108 8.228 1.00 8.16 O ATOM 43 CB MET A 4 7.767 11.765 8.673 1.00 9.24 C ATOM 44 CG MET A 4 8.740 10.751 9.255 1.00 9.89 C ATOM 45 SD MET A 4 8.703 9.173 8.386 1.00 10.81 S ATOM 46 CE MET A 4 10.210 9.277 7.425 1.00 11.46 C ATOM 0 H MET A 4 5.820 13.860 9.050 1.00 9.43 H new ATOM 0 HA MET A 4 8.301 12.976 10.365 1.00 8.83 H new ATOM 0 HB2 MET A 4 6.767 11.331 8.660 1.00 9.24 H new ATOM 0 HB3 MET A 4 8.040 11.966 7.637 1.00 9.24 H new ATOM 0 HG2 MET A 4 9.750 11.159 9.216 1.00 9.89 H new ATOM 0 HG3 MET A 4 8.503 10.588 10.306 1.00 9.89 H new ATOM 0 HE1 MET A 4 10.327 8.370 6.832 1.00 11.46 H new ATOM 0 HE2 MET A 4 10.160 10.140 6.761 1.00 11.46 H new ATOM 0 HE3 MET A 4 11.063 9.384 8.096 1.00 11.46 H new ATOM 56 N SER A 5 7.572 15.234 8.330 1.00 7.48 N ATOM 57 CA SER A 5 8.040 16.374 7.543 1.00 6.96 C ATOM 58 C SER A 5 8.374 15.963 6.111 1.00 5.97 C ATOM 59 O SER A 5 8.844 16.779 5.318 1.00 5.85 O ATOM 60 CB SER A 5 9.263 17.015 8.205 1.00 7.28 C ATOM 61 OG SER A 5 10.464 16.583 7.589 1.00 7.75 O ATOM 0 H SER A 5 6.603 15.309 8.639 1.00 7.48 H new ATOM 0 HA SER A 5 7.232 17.104 7.505 1.00 6.96 H new ATOM 0 HB2 SER A 5 9.188 18.100 8.140 1.00 7.28 H new ATOM 0 HB3 SER A 5 9.282 16.760 9.264 1.00 7.28 H new ATOM 0 HG SER A 5 10.521 15.606 7.633 1.00 7.75 H new ATOM 67 N HIS A 6 8.122 14.696 5.788 1.00 5.62 N ATOM 68 CA HIS A 6 8.393 14.172 4.453 1.00 5.03 C ATOM 69 C HIS A 6 9.808 14.528 3.999 1.00 4.34 C ATOM 70 O HIS A 6 9.995 15.233 3.007 1.00 4.70 O ATOM 71 CB HIS A 6 7.367 14.709 3.452 1.00 5.60 C ATOM 72 CG HIS A 6 6.246 13.755 3.178 1.00 6.21 C ATOM 73 ND1 HIS A 6 6.440 12.505 2.629 1.00 6.80 N ATOM 74 CD2 HIS A 6 4.912 13.871 3.383 1.00 6.70 C ATOM 75 CE1 HIS A 6 5.274 11.893 2.509 1.00 7.53 C ATOM 76 NE2 HIS A 6 4.333 12.701 2.960 1.00 7.49 N ATOM 0 H HIS A 6 7.729 14.012 6.435 1.00 5.62 H new ATOM 0 HA HIS A 6 8.312 13.086 4.495 1.00 5.03 H new ATOM 0 HB2 HIS A 6 6.954 15.643 3.833 1.00 5.60 H new ATOM 0 HB3 HIS A 6 7.873 14.942 2.515 1.00 5.60 H new ATOM 0 HD2 HIS A 6 4.400 14.725 3.801 1.00 6.70 H new ATOM 0 HE1 HIS A 6 5.118 10.901 2.110 1.00 7.53 H new ATOM 0 HE2 HIS A 6 3.336 12.490 2.989 1.00 7.49 H new ATOM 85 N LEU A 7 10.800 14.032 4.730 1.00 3.79 N ATOM 86 CA LEU A 7 12.197 14.294 4.403 1.00 3.54 C ATOM 87 C LEU A 7 12.663 13.396 3.261 1.00 3.05 C ATOM 88 O LEU A 7 13.833 13.418 2.878 1.00 3.39 O ATOM 89 CB LEU A 7 13.082 14.080 5.632 1.00 4.07 C ATOM 90 CG LEU A 7 14.299 15.003 5.722 1.00 4.94 C ATOM 91 CD1 LEU A 7 14.102 16.042 6.814 1.00 5.66 C ATOM 92 CD2 LEU A 7 15.563 14.196 5.971 1.00 5.67 C ATOM 0 H LEU A 7 10.663 13.446 5.553 1.00 3.79 H new ATOM 0 HA LEU A 7 12.281 15.333 4.084 1.00 3.54 H new ATOM 0 HB2 LEU A 7 12.474 14.217 6.527 1.00 4.07 H new ATOM 0 HB3 LEU A 7 13.428 13.046 5.636 1.00 4.07 H new ATOM 0 HG LEU A 7 14.407 15.524 4.771 1.00 4.94 H new ATOM 0 HD11 LEU A 7 14.978 16.689 6.863 1.00 5.66 H new ATOM 0 HD12 LEU A 7 13.220 16.642 6.591 1.00 5.66 H new ATOM 0 HD13 LEU A 7 13.967 15.541 7.773 1.00 5.66 H new ATOM 0 HD21 LEU A 7 16.418 14.869 6.032 1.00 5.67 H new ATOM 0 HD22 LEU A 7 15.466 13.647 6.908 1.00 5.67 H new ATOM 0 HD23 LEU A 7 15.713 13.492 5.152 1.00 5.67 H new ATOM 104 N ASP A 8 11.739 12.607 2.722 1.00 2.65 N ATOM 105 CA ASP A 8 12.048 11.702 1.623 1.00 2.38 C ATOM 106 C ASP A 8 11.084 11.914 0.460 1.00 2.22 C ATOM 107 O ASP A 8 10.039 12.547 0.618 1.00 2.74 O ATOM 108 CB ASP A 8 11.985 10.248 2.096 1.00 2.57 C ATOM 109 CG ASP A 8 12.600 10.060 3.468 1.00 3.32 C ATOM 110 OD1 ASP A 8 11.893 10.283 4.473 1.00 3.86 O ATOM 111 OD2 ASP A 8 13.791 9.690 3.539 1.00 3.77 O ATOM 0 H ASP A 8 10.767 12.577 3.030 1.00 2.65 H new ATOM 0 HA ASP A 8 13.059 11.919 1.279 1.00 2.38 H new ATOM 0 HB2 ASP A 8 10.945 9.921 2.119 1.00 2.57 H new ATOM 0 HB3 ASP A 8 12.503 9.612 1.378 1.00 2.57 H new ATOM 116 N ASN A 9 11.439 11.383 -0.706 1.00 1.98 N ATOM 117 CA ASN A 9 10.600 11.519 -1.891 1.00 2.16 C ATOM 118 C ASN A 9 10.676 10.268 -2.761 1.00 1.77 C ATOM 119 O ASN A 9 11.687 10.016 -3.417 1.00 2.00 O ATOM 120 CB ASN A 9 11.021 12.745 -2.704 1.00 2.89 C ATOM 121 CG ASN A 9 9.933 13.799 -2.767 1.00 3.63 C ATOM 122 OD1 ASN A 9 10.183 14.982 -2.539 1.00 4.06 O ATOM 123 ND2 ASN A 9 8.714 13.374 -3.080 1.00 4.31 N ATOM 0 H ASN A 9 12.300 10.856 -0.855 1.00 1.98 H new ATOM 0 HA ASN A 9 9.569 11.647 -1.560 1.00 2.16 H new ATOM 0 HB2 ASN A 9 11.918 13.179 -2.263 1.00 2.89 H new ATOM 0 HB3 ASN A 9 11.281 12.435 -3.716 1.00 2.89 H new ATOM 0 HD21 ASN A 9 7.942 14.038 -3.139 1.00 4.31 H new ATOM 0 HD22 ASN A 9 8.550 12.384 -3.262 1.00 4.31 H new ATOM 130 N THR A 10 9.598 9.489 -2.760 1.00 1.51 N ATOM 131 CA THR A 10 9.536 8.264 -3.548 1.00 1.25 C ATOM 132 C THR A 10 8.545 8.407 -4.698 1.00 1.22 C ATOM 133 O THR A 10 7.715 9.316 -4.704 1.00 1.93 O ATOM 134 CB THR A 10 9.130 7.058 -2.680 1.00 1.11 C ATOM 135 OG1 THR A 10 9.675 7.196 -1.363 1.00 1.23 O ATOM 136 CG2 THR A 10 9.614 5.755 -3.300 1.00 1.18 C ATOM 0 H THR A 10 8.755 9.686 -2.221 1.00 1.51 H new ATOM 0 HA THR A 10 10.535 8.091 -3.949 1.00 1.25 H new ATOM 0 HB THR A 10 8.042 7.032 -2.622 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.694 6.320 -0.924 1.00 1.23 H new ATOM 0 HG21 THR A 10 9.315 4.918 -2.668 1.00 1.18 H new ATOM 0 HG22 THR A 10 9.174 5.638 -4.290 1.00 1.18 H new ATOM 0 HG23 THR A 10 10.700 5.774 -3.386 1.00 1.18 H new ATOM 144 N MET A 11 8.640 7.506 -5.673 1.00 0.77 N ATOM 145 CA MET A 11 7.750 7.533 -6.829 1.00 0.68 C ATOM 146 C MET A 11 6.288 7.484 -6.395 1.00 0.61 C ATOM 147 O MET A 11 5.864 6.556 -5.704 1.00 0.63 O ATOM 148 CB MET A 11 8.057 6.364 -7.769 1.00 0.70 C ATOM 149 CG MET A 11 8.028 5.007 -7.086 1.00 0.72 C ATOM 150 SD MET A 11 8.738 3.702 -8.107 1.00 1.23 S ATOM 151 CE MET A 11 7.283 3.128 -8.980 1.00 0.74 C ATOM 0 H MET A 11 9.324 6.749 -5.685 1.00 0.77 H new ATOM 0 HA MET A 11 7.920 8.469 -7.361 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.334 6.366 -8.585 1.00 0.70 H new ATOM 0 HB3 MET A 11 9.040 6.516 -8.214 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.576 5.066 -6.145 1.00 0.72 H new ATOM 0 HG3 MET A 11 6.998 4.750 -6.839 1.00 0.72 H new ATOM 0 HE1 MET A 11 7.532 2.952 -10.026 1.00 0.74 H new ATOM 0 HE2 MET A 11 6.931 2.200 -8.530 1.00 0.74 H new ATOM 0 HE3 MET A 11 6.499 3.883 -8.916 1.00 0.74 H new ATOM 161 N ALA A 12 5.525 8.494 -6.802 1.00 0.57 N ATOM 162 CA ALA A 12 4.108 8.574 -6.464 1.00 0.56 C ATOM 163 C ALA A 12 3.381 7.286 -6.826 1.00 0.48 C ATOM 164 O ALA A 12 3.696 6.639 -7.825 1.00 0.46 O ATOM 165 CB ALA A 12 3.468 9.762 -7.165 1.00 0.62 C ATOM 0 H ALA A 12 5.866 9.271 -7.368 1.00 0.57 H new ATOM 0 HA ALA A 12 4.024 8.712 -5.386 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.411 9.811 -6.905 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.963 10.681 -6.849 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.571 9.647 -8.244 1.00 0.62 H new ATOM 171 N ILE A 13 2.406 6.921 -6.001 1.00 0.46 N ATOM 172 CA ILE A 13 1.622 5.713 -6.220 1.00 0.44 C ATOM 173 C ILE A 13 0.948 5.741 -7.591 1.00 0.43 C ATOM 174 O ILE A 13 0.722 4.694 -8.201 1.00 0.45 O ATOM 175 CB ILE A 13 0.564 5.541 -5.104 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.128 4.679 -3.973 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.723 4.929 -5.644 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.546 5.005 -2.615 1.00 0.58 C ATOM 0 H ILE A 13 2.139 7.449 -5.170 1.00 0.46 H new ATOM 0 HA ILE A 13 2.301 4.861 -6.190 1.00 0.44 H new ATOM 0 HB ILE A 13 0.323 6.530 -4.715 1.00 0.48 H new ATOM 0 HG12 ILE A 13 0.938 3.630 -4.198 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.210 4.806 -3.935 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.444 4.823 -4.833 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -1.138 5.577 -6.416 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.509 3.949 -6.070 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.992 4.355 -1.862 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.759 6.045 -2.368 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.533 4.850 -2.635 1.00 0.58 H new ATOM 190 N ARG A 14 0.634 6.941 -8.071 1.00 0.47 N ATOM 191 CA ARG A 14 -0.007 7.098 -9.372 1.00 0.53 C ATOM 192 C ARG A 14 0.814 6.411 -10.459 1.00 0.51 C ATOM 193 O ARG A 14 0.274 5.950 -11.464 1.00 0.66 O ATOM 194 CB ARG A 14 -0.183 8.582 -9.707 1.00 0.62 C ATOM 195 CG ARG A 14 1.111 9.377 -9.657 1.00 1.28 C ATOM 196 CD ARG A 14 1.459 9.960 -11.017 1.00 1.42 C ATOM 197 NE ARG A 14 1.097 11.370 -11.117 1.00 1.82 N ATOM 198 CZ ARG A 14 0.556 11.918 -12.202 1.00 2.23 C ATOM 199 NH1 ARG A 14 0.318 11.177 -13.276 1.00 2.63 N ATOM 200 NH2 ARG A 14 0.252 13.210 -12.214 1.00 2.82 N ATOM 0 H ARG A 14 0.813 7.817 -7.580 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.990 6.629 -9.327 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.616 8.672 -10.703 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -0.896 9.021 -9.009 1.00 0.62 H new ATOM 0 HG2 ARG A 14 1.017 10.182 -8.928 1.00 1.28 H new ATOM 0 HG3 ARG A 14 1.922 8.733 -9.318 1.00 1.28 H new ATOM 0 HD2 ARG A 14 2.528 9.847 -11.197 1.00 1.42 H new ATOM 0 HD3 ARG A 14 0.943 9.397 -11.795 1.00 1.42 H new ATOM 0 HE ARG A 14 1.268 11.969 -10.310 1.00 1.82 H new ATOM 0 HH11 ARG A 14 0.550 10.184 -13.272 1.00 2.63 H new ATOM 0 HH12 ARG A 14 -0.097 11.600 -14.106 1.00 2.63 H new ATOM 0 HH21 ARG A 14 0.433 13.784 -11.391 1.00 2.82 H new ATOM 0 HH22 ARG A 14 -0.163 13.629 -13.047 1.00 2.82 H new ATOM 214 N LEU A 15 2.124 6.347 -10.242 1.00 0.43 N ATOM 215 CA LEU A 15 3.032 5.709 -11.187 1.00 0.46 C ATOM 216 C LEU A 15 2.981 4.193 -11.033 1.00 0.42 C ATOM 217 O LEU A 15 3.074 3.455 -12.014 1.00 0.44 O ATOM 218 CB LEU A 15 4.461 6.209 -10.969 1.00 0.54 C ATOM 219 CG LEU A 15 5.382 6.098 -12.186 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.465 7.164 -12.134 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.001 4.711 -12.258 1.00 1.51 C ATOM 0 H LEU A 15 2.582 6.732 -9.415 1.00 0.43 H new ATOM 0 HA LEU A 15 2.717 5.969 -12.198 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.420 7.253 -10.658 1.00 0.54 H new ATOM 0 HB3 LEU A 15 4.904 5.648 -10.146 1.00 0.54 H new ATOM 0 HG LEU A 15 4.787 6.257 -13.085 1.00 0.64 H new ATOM 0 HD11 LEU A 15 7.110 7.070 -13.007 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.004 8.152 -12.129 1.00 1.44 H new ATOM 0 HD13 LEU A 15 7.058 7.036 -11.229 1.00 1.44 H new ATOM 0 HD21 LEU A 15 6.653 4.648 -13.129 1.00 1.51 H new ATOM 0 HD22 LEU A 15 6.583 4.525 -11.355 1.00 1.51 H new ATOM 0 HD23 LEU A 15 5.212 3.964 -12.342 1.00 1.51 H new ATOM 233 N LEU A 16 2.832 3.740 -9.791 1.00 0.38 N ATOM 234 CA LEU A 16 2.761 2.314 -9.491 1.00 0.38 C ATOM 235 C LEU A 16 1.716 1.622 -10.370 1.00 0.36 C ATOM 236 O LEU A 16 0.518 1.867 -10.218 1.00 0.35 O ATOM 237 CB LEU A 16 2.416 2.104 -8.013 1.00 0.39 C ATOM 238 CG LEU A 16 3.111 0.918 -7.334 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.721 -0.390 -8.005 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.622 1.099 -7.350 1.00 0.93 C ATOM 0 H LEU A 16 2.758 4.344 -8.973 1.00 0.38 H new ATOM 0 HA LEU A 16 3.736 1.873 -9.701 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.669 3.012 -7.466 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.338 1.969 -7.925 1.00 0.39 H new ATOM 0 HG LEU A 16 2.782 0.880 -6.295 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.225 -1.219 -7.508 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.642 -0.527 -7.935 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.016 -0.363 -9.054 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.096 0.246 -6.863 1.00 0.93 H new ATOM 0 HD22 LEU A 16 4.969 1.167 -8.381 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.885 2.013 -6.817 1.00 0.93 H new ATOM 252 N PRO A 17 2.150 0.752 -11.304 1.00 0.38 N ATOM 253 CA PRO A 17 1.231 0.035 -12.197 1.00 0.40 C ATOM 254 C PRO A 17 0.160 -0.730 -11.427 1.00 0.35 C ATOM 255 O PRO A 17 0.470 -1.607 -10.621 1.00 0.35 O ATOM 256 CB PRO A 17 2.143 -0.934 -12.952 1.00 0.46 C ATOM 257 CG PRO A 17 3.493 -0.309 -12.891 1.00 0.48 C ATOM 258 CD PRO A 17 3.558 0.399 -11.569 1.00 0.43 C ATOM 0 HA PRO A 17 0.684 0.716 -12.849 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.142 -1.921 -12.489 1.00 0.46 H new ATOM 0 HB3 PRO A 17 1.814 -1.066 -13.983 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.276 -1.063 -12.970 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.638 0.389 -13.716 1.00 0.48 H new ATOM 0 HD2 PRO A 17 3.966 -0.243 -10.788 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.192 1.284 -11.617 1.00 0.43 H new ATOM 266 N LEU A 18 -1.099 -0.389 -11.680 1.00 0.40 N ATOM 267 CA LEU A 18 -2.222 -1.037 -11.012 1.00 0.41 C ATOM 268 C LEU A 18 -2.219 -2.555 -11.235 1.00 0.36 C ATOM 269 O LEU A 18 -2.344 -3.316 -10.276 1.00 0.37 O ATOM 270 CB LEU A 18 -3.548 -0.436 -11.485 1.00 0.51 C ATOM 271 CG LEU A 18 -4.428 0.141 -10.375 1.00 0.76 C ATOM 272 CD1 LEU A 18 -5.081 1.437 -10.830 1.00 1.36 C ATOM 273 CD2 LEU A 18 -5.483 -0.869 -9.951 1.00 1.64 C ATOM 0 H LEU A 18 -1.368 0.335 -12.346 1.00 0.40 H new ATOM 0 HA LEU A 18 -2.111 -0.858 -9.942 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.335 0.353 -12.207 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -4.112 -1.206 -12.012 1.00 0.51 H new ATOM 0 HG LEU A 18 -3.796 0.359 -9.514 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.703 1.832 -10.027 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -4.309 2.164 -11.083 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -5.699 1.245 -11.707 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -6.100 -0.441 -9.161 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -6.111 -1.120 -10.806 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -4.995 -1.771 -9.582 1.00 1.64 H new ATOM 285 N PRO A 19 -2.080 -3.028 -12.496 1.00 0.36 N ATOM 286 CA PRO A 19 -2.068 -4.466 -12.796 1.00 0.41 C ATOM 287 C PRO A 19 -1.028 -5.222 -11.974 1.00 0.39 C ATOM 288 O PRO A 19 -1.144 -6.430 -11.771 1.00 0.44 O ATOM 289 CB PRO A 19 -1.724 -4.537 -14.291 1.00 0.49 C ATOM 290 CG PRO A 19 -1.232 -3.175 -14.652 1.00 0.59 C ATOM 291 CD PRO A 19 -1.927 -2.226 -13.722 1.00 0.40 C ATOM 0 HA PRO A 19 -3.023 -4.931 -12.551 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.963 -5.293 -14.483 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.599 -4.808 -14.883 1.00 0.49 H new ATOM 0 HG2 PRO A 19 -0.150 -3.109 -14.540 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -1.460 -2.940 -15.692 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.337 -1.326 -13.546 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.890 -1.904 -14.118 1.00 0.40 H new ATOM 299 N VAL A 20 -0.013 -4.504 -11.506 1.00 0.38 N ATOM 300 CA VAL A 20 1.044 -5.107 -10.704 1.00 0.44 C ATOM 301 C VAL A 20 0.654 -5.139 -9.229 1.00 0.42 C ATOM 302 O VAL A 20 0.887 -6.131 -8.538 1.00 0.46 O ATOM 303 CB VAL A 20 2.376 -4.346 -10.861 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.435 -4.910 -9.925 1.00 0.65 C ATOM 305 CG2 VAL A 20 2.850 -4.397 -12.304 1.00 0.56 C ATOM 0 H VAL A 20 0.100 -3.503 -11.669 1.00 0.38 H new ATOM 0 HA VAL A 20 1.179 -6.126 -11.066 1.00 0.44 H new ATOM 0 HB VAL A 20 2.209 -3.303 -10.591 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.366 -4.357 -10.054 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.096 -4.815 -8.893 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.603 -5.962 -10.157 1.00 0.65 H new ATOM 0 HG21 VAL A 20 3.791 -3.855 -12.397 1.00 0.56 H new ATOM 0 HG22 VAL A 20 2.998 -5.435 -12.602 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.101 -3.937 -12.949 1.00 0.56 H new ATOM 315 N ARG A 21 0.063 -4.047 -8.755 1.00 0.42 N ATOM 316 CA ARG A 21 -0.361 -3.948 -7.362 1.00 0.46 C ATOM 317 C ARG A 21 -1.382 -5.031 -7.024 1.00 0.39 C ATOM 318 O ARG A 21 -1.508 -5.438 -5.869 1.00 0.38 O ATOM 319 CB ARG A 21 -0.956 -2.566 -7.085 1.00 0.54 C ATOM 320 CG ARG A 21 -1.094 -2.251 -5.604 1.00 1.17 C ATOM 321 CD ARG A 21 -0.283 -1.025 -5.217 1.00 0.77 C ATOM 322 NE ARG A 21 1.136 -1.334 -5.058 1.00 1.75 N ATOM 323 CZ ARG A 21 1.997 -0.545 -4.422 1.00 2.57 C ATOM 324 NH1 ARG A 21 1.586 0.597 -3.888 1.00 2.82 N ATOM 325 NH2 ARG A 21 3.271 -0.898 -4.320 1.00 3.62 N ATOM 0 H ARG A 21 -0.134 -3.217 -9.315 1.00 0.42 H new ATOM 0 HA ARG A 21 0.516 -4.092 -6.731 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.327 -1.808 -7.553 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.937 -2.501 -7.555 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -2.144 -2.085 -5.363 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -0.763 -3.108 -5.016 1.00 1.17 H new ATOM 0 HD2 ARG A 21 -0.403 -0.256 -5.980 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.671 -0.613 -4.285 1.00 0.77 H new ATOM 0 HE ARG A 21 1.486 -2.205 -5.458 1.00 1.75 H new ATOM 0 HH11 ARG A 21 0.607 0.873 -3.964 1.00 2.82 H new ATOM 0 HH12 ARG A 21 2.249 1.200 -3.401 1.00 2.82 H new ATOM 0 HH21 ARG A 21 3.591 -1.775 -4.730 1.00 3.62 H new ATOM 0 HH22 ARG A 21 3.931 -0.292 -3.832 1.00 3.62 H new ATOM 339 N ALA A 22 -2.108 -5.491 -8.039 1.00 0.40 N ATOM 340 CA ALA A 22 -3.119 -6.525 -7.856 1.00 0.40 C ATOM 341 C ALA A 22 -2.519 -7.783 -7.232 1.00 0.35 C ATOM 342 O ALA A 22 -3.223 -8.570 -6.601 1.00 0.37 O ATOM 343 CB ALA A 22 -3.778 -6.859 -9.186 1.00 0.48 C ATOM 0 H ALA A 22 -2.014 -5.162 -9.000 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.875 -6.139 -7.172 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.531 -7.633 -9.035 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.252 -5.965 -9.592 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.024 -7.219 -9.886 1.00 0.48 H new ATOM 349 N GLN A 23 -1.214 -7.964 -7.415 1.00 0.36 N ATOM 350 CA GLN A 23 -0.518 -9.124 -6.869 1.00 0.39 C ATOM 351 C GLN A 23 -0.475 -9.067 -5.346 1.00 0.34 C ATOM 352 O GLN A 23 -0.698 -10.072 -4.672 1.00 0.42 O ATOM 353 CB GLN A 23 0.903 -9.199 -7.429 1.00 0.49 C ATOM 354 CG GLN A 23 1.319 -10.598 -7.852 1.00 0.96 C ATOM 355 CD GLN A 23 2.247 -10.593 -9.050 1.00 1.44 C ATOM 356 OE1 GLN A 23 1.809 -10.742 -10.190 1.00 2.14 O ATOM 357 NE2 GLN A 23 3.540 -10.419 -8.797 1.00 2.10 N ATOM 0 H GLN A 23 -0.618 -7.322 -7.937 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.066 -10.019 -7.164 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.982 -8.531 -8.287 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.601 -8.834 -6.675 1.00 0.49 H new ATOM 0 HG2 GLN A 23 1.813 -11.094 -7.017 1.00 0.96 H new ATOM 0 HG3 GLN A 23 0.429 -11.182 -8.089 1.00 0.96 H new ATOM 0 HE21 GLN A 23 3.860 -10.299 -7.836 1.00 2.10 H new ATOM 0 HE22 GLN A 23 4.212 -10.405 -9.564 1.00 2.10 H new ATOM 366 N LEU A 24 -0.185 -7.885 -4.812 1.00 0.29 N ATOM 367 CA LEU A 24 -0.110 -7.696 -3.368 1.00 0.30 C ATOM 368 C LEU A 24 -1.503 -7.658 -2.751 1.00 0.30 C ATOM 369 O LEU A 24 -1.738 -8.246 -1.697 1.00 0.31 O ATOM 370 CB LEU A 24 0.634 -6.403 -3.037 1.00 0.38 C ATOM 371 CG LEU A 24 0.977 -6.210 -1.560 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.307 -5.489 -1.409 1.00 1.51 C ATOM 373 CD2 LEU A 24 -0.132 -5.441 -0.861 1.00 1.40 C ATOM 0 H LEU A 24 0.002 -7.044 -5.358 1.00 0.29 H new ATOM 0 HA LEU A 24 0.435 -8.541 -2.948 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.558 -6.376 -3.615 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.028 -5.559 -3.366 1.00 0.38 H new ATOM 0 HG LEU A 24 1.068 -7.190 -1.093 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.533 -5.361 -0.350 1.00 1.51 H new ATOM 0 HD12 LEU A 24 3.095 -6.077 -1.880 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.247 -4.512 -1.888 1.00 1.51 H new ATOM 0 HD21 LEU A 24 0.123 -5.310 0.190 1.00 1.40 H new ATOM 0 HD22 LEU A 24 -0.250 -4.464 -1.331 1.00 1.40 H new ATOM 0 HD23 LEU A 24 -1.066 -5.997 -0.941 1.00 1.40 H new ATOM 385 N CYS A 25 -2.424 -6.965 -3.414 1.00 0.34 N ATOM 386 CA CYS A 25 -3.792 -6.855 -2.922 1.00 0.39 C ATOM 387 C CYS A 25 -4.407 -8.237 -2.755 1.00 0.39 C ATOM 388 O CYS A 25 -5.039 -8.532 -1.740 1.00 0.42 O ATOM 389 CB CYS A 25 -4.637 -6.018 -3.885 1.00 0.47 C ATOM 390 SG CYS A 25 -3.996 -4.352 -4.170 1.00 0.55 S ATOM 0 H CYS A 25 -2.248 -6.473 -4.290 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.772 -6.360 -1.951 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.703 -6.539 -4.840 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.651 -5.944 -3.492 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.908 -4.421 -4.879 1.00 0.55 H new ATOM 396 N ALA A 26 -4.214 -9.081 -3.761 1.00 0.40 N ATOM 397 CA ALA A 26 -4.730 -10.441 -3.733 1.00 0.45 C ATOM 398 C ALA A 26 -4.120 -11.228 -2.581 1.00 0.42 C ATOM 399 O ALA A 26 -4.795 -12.022 -1.926 1.00 0.46 O ATOM 400 CB ALA A 26 -4.433 -11.134 -5.050 1.00 0.52 C ATOM 0 H ALA A 26 -3.701 -8.844 -4.610 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.809 -10.397 -3.585 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.822 -12.152 -5.022 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.908 -10.587 -5.864 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.355 -11.162 -5.211 1.00 0.52 H new ATOM 406 N HIS A 27 -2.831 -11.003 -2.348 1.00 0.37 N ATOM 407 CA HIS A 27 -2.111 -11.689 -1.285 1.00 0.37 C ATOM 408 C HIS A 27 -2.689 -11.337 0.083 1.00 0.38 C ATOM 409 O HIS A 27 -3.162 -12.209 0.813 1.00 0.44 O ATOM 410 CB HIS A 27 -0.629 -11.315 -1.345 1.00 0.37 C ATOM 411 CG HIS A 27 0.164 -11.788 -0.166 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.048 -13.057 0.358 1.00 0.62 N ATOM 413 CD2 HIS A 27 1.092 -11.154 0.590 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.869 -13.184 1.387 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.514 -12.044 1.547 1.00 0.68 N ATOM 0 H HIS A 27 -2.263 -10.348 -2.885 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.220 -12.764 -1.429 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.195 -11.733 -2.254 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.541 -10.231 -1.419 1.00 0.37 H new ATOM 0 HD2 HIS A 27 1.436 -10.138 0.464 1.00 0.55 H new ATOM 0 HE1 HIS A 27 0.991 -14.070 1.993 1.00 0.72 H new ATOM 0 HE2 HIS A 27 2.213 -11.854 2.265 1.00 0.68 H new ATOM 424 N LEU A 28 -2.646 -10.053 0.416 1.00 0.37 N ATOM 425 CA LEU A 28 -3.154 -9.566 1.693 1.00 0.45 C ATOM 426 C LEU A 28 -4.635 -9.897 1.860 1.00 0.49 C ATOM 427 O LEU A 28 -5.140 -9.966 2.980 1.00 0.51 O ATOM 428 CB LEU A 28 -2.942 -8.052 1.799 1.00 0.51 C ATOM 429 CG LEU A 28 -1.521 -7.610 2.170 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.145 -8.117 3.555 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.517 -8.094 1.133 1.00 0.99 C ATOM 0 H LEU A 28 -2.261 -9.325 -0.186 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.602 -10.065 2.489 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.208 -7.598 0.845 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.633 -7.657 2.544 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.498 -6.520 2.185 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.133 -7.793 3.799 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -1.842 -7.716 4.291 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -1.190 -9.206 3.568 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.484 -7.769 1.416 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.544 -9.182 1.081 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.771 -7.678 0.158 1.00 0.99 H new ATOM 443 N ASP A 29 -5.323 -10.099 0.741 1.00 0.60 N ATOM 444 CA ASP A 29 -6.745 -10.422 0.765 1.00 0.69 C ATOM 445 C ASP A 29 -6.999 -11.720 1.523 1.00 0.57 C ATOM 446 O ASP A 29 -7.993 -11.849 2.239 1.00 0.55 O ATOM 447 CB ASP A 29 -7.288 -10.536 -0.662 1.00 0.94 C ATOM 448 CG ASP A 29 -8.777 -10.821 -0.693 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.507 -10.258 0.150 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.212 -11.607 -1.560 1.00 1.12 O ATOM 0 H ASP A 29 -4.919 -10.045 -0.194 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.265 -9.615 1.282 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.087 -9.609 -1.199 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -6.758 -11.330 -1.187 1.00 0.94 H new ATOM 455 N ALA A 30 -6.094 -12.680 1.362 1.00 0.56 N ATOM 456 CA ALA A 30 -6.220 -13.969 2.033 1.00 0.58 C ATOM 457 C ALA A 30 -6.024 -13.823 3.537 1.00 0.46 C ATOM 458 O ALA A 30 -6.588 -14.584 4.324 1.00 0.54 O ATOM 459 CB ALA A 30 -5.219 -14.964 1.463 1.00 0.68 C ATOM 0 H ALA A 30 -5.266 -12.590 0.773 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.228 -14.345 1.857 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.326 -15.921 1.974 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.406 -15.099 0.398 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.207 -14.586 1.608 1.00 0.68 H new ATOM 465 N LEU A 31 -5.222 -12.839 3.930 1.00 0.37 N ATOM 466 CA LEU A 31 -4.949 -12.589 5.341 1.00 0.40 C ATOM 467 C LEU A 31 -6.172 -12.005 6.040 1.00 0.40 C ATOM 468 O LEU A 31 -6.252 -12.002 7.269 1.00 0.45 O ATOM 469 CB LEU A 31 -3.759 -11.642 5.491 1.00 0.45 C ATOM 470 CG LEU A 31 -2.516 -12.265 6.124 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.650 -12.925 5.063 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.723 -11.214 6.886 1.00 1.16 C ATOM 0 H LEU A 31 -4.749 -12.201 3.290 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.708 -13.542 5.812 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.493 -11.257 4.506 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.067 -10.788 6.094 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.836 -13.032 6.829 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.769 -13.363 5.533 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -2.221 -13.707 4.562 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.338 -12.179 4.332 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.841 -11.675 7.330 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.414 -10.424 6.201 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.345 -10.788 7.673 1.00 1.16 H new ATOM 484 N ASP A 32 -7.122 -11.513 5.248 1.00 0.40 N ATOM 485 CA ASP A 32 -8.344 -10.922 5.788 1.00 0.46 C ATOM 486 C ASP A 32 -8.020 -9.805 6.776 1.00 0.46 C ATOM 487 O ASP A 32 -8.486 -9.813 7.917 1.00 0.57 O ATOM 488 CB ASP A 32 -9.198 -11.997 6.467 1.00 0.52 C ATOM 489 CG ASP A 32 -10.678 -11.676 6.421 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.341 -12.072 5.440 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.174 -11.026 7.365 1.00 2.03 O ATOM 0 H ASP A 32 -7.069 -11.512 4.229 1.00 0.40 H new ATOM 0 HA ASP A 32 -8.908 -10.492 4.960 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.022 -12.957 5.981 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -8.885 -12.103 7.506 1.00 0.52 H new ATOM 496 N VAL A 33 -7.218 -8.844 6.328 1.00 0.42 N ATOM 497 CA VAL A 33 -6.829 -7.717 7.167 1.00 0.43 C ATOM 498 C VAL A 33 -6.926 -6.403 6.398 1.00 0.42 C ATOM 499 O VAL A 33 -6.153 -5.474 6.635 1.00 0.52 O ATOM 500 CB VAL A 33 -5.392 -7.883 7.699 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.314 -9.048 8.675 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.415 -8.076 6.548 1.00 0.50 C ATOM 0 H VAL A 33 -6.825 -8.824 5.387 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.520 -7.695 8.010 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.115 -6.974 8.232 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.292 -9.149 9.040 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -5.983 -8.864 9.516 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.612 -9.967 8.169 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.406 -8.191 6.943 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.688 -8.968 5.984 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.450 -7.207 5.891 1.00 0.50 H new ATOM 512 N TRP A 34 -7.883 -6.331 5.478 1.00 0.39 N ATOM 513 CA TRP A 34 -8.079 -5.132 4.672 1.00 0.38 C ATOM 514 C TRP A 34 -8.525 -3.959 5.542 1.00 0.33 C ATOM 515 O TRP A 34 -8.113 -2.820 5.324 1.00 0.34 O ATOM 516 CB TRP A 34 -9.109 -5.393 3.569 1.00 0.40 C ATOM 517 CG TRP A 34 -10.475 -5.727 4.090 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.893 -6.931 4.582 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.601 -4.847 4.170 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.212 -6.852 4.962 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.668 -5.582 4.720 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.811 -3.508 3.831 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.925 -5.023 4.936 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.059 -2.953 4.047 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.102 -3.710 4.595 1.00 0.50 C ATOM 0 H TRP A 34 -8.534 -7.089 5.273 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.126 -4.874 4.210 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.178 -4.511 2.932 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.758 -6.213 2.942 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -10.278 -7.815 4.661 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.762 -7.614 5.359 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.013 -2.917 3.408 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.731 -5.605 5.358 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.232 -1.919 3.789 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.066 -3.248 4.752 1.00 0.50 H new ATOM 536 N GLN A 35 -9.369 -4.250 6.526 1.00 0.32 N ATOM 537 CA GLN A 35 -9.871 -3.224 7.433 1.00 0.33 C ATOM 538 C GLN A 35 -8.737 -2.621 8.255 1.00 0.32 C ATOM 539 O GLN A 35 -8.797 -1.457 8.654 1.00 0.35 O ATOM 540 CB GLN A 35 -10.936 -3.813 8.361 1.00 0.38 C ATOM 541 CG GLN A 35 -11.845 -2.767 8.986 1.00 1.12 C ATOM 542 CD GLN A 35 -11.902 -2.874 10.497 1.00 1.61 C ATOM 543 OE1 GLN A 35 -12.806 -3.498 11.053 1.00 2.15 O ATOM 544 NE2 GLN A 35 -10.935 -2.263 11.170 1.00 2.32 N ATOM 0 H GLN A 35 -9.720 -5.189 6.716 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.319 -2.431 6.834 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.544 -4.521 7.799 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.444 -4.375 9.155 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -11.494 -1.773 8.709 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.851 -2.875 8.579 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -10.205 -1.757 10.668 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -10.921 -2.299 12.189 1.00 2.32 H new ATOM 553 N GLN A 36 -7.704 -3.420 8.506 1.00 0.33 N ATOM 554 CA GLN A 36 -6.554 -2.966 9.282 1.00 0.38 C ATOM 555 C GLN A 36 -5.711 -1.983 8.483 1.00 0.37 C ATOM 556 O GLN A 36 -4.775 -1.386 9.012 1.00 0.46 O ATOM 557 CB GLN A 36 -5.698 -4.157 9.719 1.00 0.45 C ATOM 558 CG GLN A 36 -6.068 -4.701 11.088 1.00 1.54 C ATOM 559 CD GLN A 36 -6.584 -6.125 11.032 1.00 2.38 C ATOM 560 OE1 GLN A 36 -7.408 -6.419 10.032 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -6.247 -6.954 11.877 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.640 -4.385 8.183 1.00 0.33 H new ATOM 0 HA GLN A 36 -6.929 -2.456 10.169 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.796 -4.954 8.982 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -4.650 -3.857 9.727 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -5.194 -4.661 11.739 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -6.828 -4.061 11.535 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -5.612 -6.686 12.629 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -6.603 -7.909 11.825 1.00 2.41 H new ATOM 570 N LEU A 37 -6.042 -1.825 7.207 1.00 0.37 N ATOM 571 CA LEU A 37 -5.322 -0.901 6.342 1.00 0.40 C ATOM 572 C LEU A 37 -6.026 0.452 6.319 1.00 0.38 C ATOM 573 O LEU A 37 -5.434 1.477 6.657 1.00 0.42 O ATOM 574 CB LEU A 37 -5.219 -1.465 4.923 1.00 0.43 C ATOM 575 CG LEU A 37 -4.377 -2.736 4.792 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.873 -3.588 3.635 1.00 0.49 C ATOM 577 CD2 LEU A 37 -2.909 -2.383 4.606 1.00 0.65 C ATOM 0 H LEU A 37 -6.804 -2.325 6.749 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.315 -0.769 6.737 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.224 -1.674 4.557 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -4.796 -0.699 4.273 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.479 -3.314 5.710 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.262 -4.487 3.557 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.912 -3.869 3.809 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.801 -3.020 2.708 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.324 -3.298 4.514 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -2.790 -1.784 3.703 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.560 -1.813 5.467 1.00 0.65 H new ATOM 589 N ALA A 38 -7.291 0.441 5.908 1.00 0.36 N ATOM 590 CA ALA A 38 -8.093 1.658 5.849 1.00 0.37 C ATOM 591 C ALA A 38 -8.052 2.408 7.177 1.00 0.36 C ATOM 592 O ALA A 38 -7.693 3.584 7.228 1.00 0.41 O ATOM 593 CB ALA A 38 -9.529 1.323 5.476 1.00 0.39 C ATOM 0 H ALA A 38 -7.784 -0.401 5.610 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.670 2.307 5.082 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.118 2.240 5.435 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.548 0.836 4.501 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.952 0.653 6.224 1.00 0.39 H new ATOM 599 N THR A 39 -8.429 1.719 8.250 1.00 0.33 N ATOM 600 CA THR A 39 -8.438 2.313 9.582 1.00 0.36 C ATOM 601 C THR A 39 -7.040 2.755 10.004 1.00 0.37 C ATOM 602 O THR A 39 -6.883 3.766 10.690 1.00 0.40 O ATOM 603 CB THR A 39 -8.992 1.334 10.632 1.00 0.39 C ATOM 604 OG1 THR A 39 -10.052 0.554 10.065 1.00 0.36 O ATOM 605 CG2 THR A 39 -9.505 2.084 11.852 1.00 0.51 C ATOM 0 H THR A 39 -8.733 0.746 8.222 1.00 0.33 H new ATOM 0 HA THR A 39 -9.089 3.186 9.529 1.00 0.36 H new ATOM 0 HB THR A 39 -8.183 0.674 10.944 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.673 -0.202 9.570 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.892 1.372 12.581 1.00 0.51 H new ATOM 0 HG22 THR A 39 -8.690 2.653 12.298 1.00 0.51 H new ATOM 0 HG23 THR A 39 -10.302 2.765 11.552 1.00 0.51 H new ATOM 613 N ALA A 40 -6.028 1.990 9.601 1.00 0.38 N ATOM 614 CA ALA A 40 -4.644 2.315 9.941 1.00 0.43 C ATOM 615 C ALA A 40 -4.273 3.719 9.476 1.00 0.42 C ATOM 616 O ALA A 40 -3.495 4.413 10.131 1.00 0.47 O ATOM 617 CB ALA A 40 -3.693 1.294 9.334 1.00 0.47 C ATOM 0 H ALA A 40 -6.139 1.145 9.041 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.553 2.283 11.027 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.667 1.551 9.597 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.929 0.302 9.720 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.801 1.296 8.249 1.00 0.47 H new ATOM 623 N VAL A 41 -4.833 4.134 8.343 1.00 0.38 N ATOM 624 CA VAL A 41 -4.559 5.458 7.797 1.00 0.40 C ATOM 625 C VAL A 41 -5.711 6.414 8.085 1.00 0.41 C ATOM 626 O VAL A 41 -5.709 7.559 7.630 1.00 0.47 O ATOM 627 CB VAL A 41 -4.313 5.406 6.276 1.00 0.42 C ATOM 628 CG1 VAL A 41 -3.004 4.695 5.972 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.474 4.726 5.565 1.00 0.45 C ATOM 0 H VAL A 41 -5.478 3.573 7.787 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.655 5.821 8.285 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.242 6.428 5.905 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.847 4.668 4.894 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.181 5.230 6.445 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -3.045 3.677 6.359 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.279 4.700 4.493 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.583 3.708 5.938 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.392 5.282 5.754 1.00 0.45 H new ATOM 639 N LYS A 42 -6.691 5.931 8.846 1.00 0.38 N ATOM 640 CA LYS A 42 -7.858 6.733 9.210 1.00 0.41 C ATOM 641 C LYS A 42 -8.628 7.177 7.971 1.00 0.43 C ATOM 642 O LYS A 42 -8.227 8.115 7.281 1.00 0.53 O ATOM 643 CB LYS A 42 -7.434 7.956 10.027 1.00 0.51 C ATOM 644 CG LYS A 42 -8.092 8.034 11.398 1.00 0.77 C ATOM 645 CD LYS A 42 -9.604 8.166 11.290 1.00 1.05 C ATOM 646 CE LYS A 42 -10.012 9.539 10.781 1.00 1.32 C ATOM 647 NZ LYS A 42 -9.689 10.614 11.758 1.00 2.14 N ATOM 0 H LYS A 42 -6.700 4.984 9.224 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.514 6.110 9.817 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.352 7.940 10.154 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.676 8.859 9.466 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -7.845 7.141 11.972 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -7.691 8.886 11.946 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -9.989 7.399 10.618 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -10.056 7.991 12.266 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -9.504 9.742 9.838 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -11.082 9.546 10.575 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -10.199 11.483 11.500 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -9.976 10.314 12.712 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -8.665 10.797 11.746 1.00 2.14 H new ATOM 661 N LEU A 43 -9.739 6.502 7.697 1.00 0.41 N ATOM 662 CA LEU A 43 -10.564 6.831 6.541 1.00 0.49 C ATOM 663 C LEU A 43 -12.036 6.916 6.927 1.00 0.49 C ATOM 664 O LEU A 43 -12.459 6.342 7.931 1.00 0.52 O ATOM 665 CB LEU A 43 -10.375 5.788 5.438 1.00 0.56 C ATOM 666 CG LEU A 43 -9.501 6.235 4.264 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.230 5.068 3.326 1.00 0.78 C ATOM 668 CD2 LEU A 43 -10.162 7.382 3.512 1.00 1.03 C ATOM 0 H LEU A 43 -10.088 5.725 8.258 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.248 7.806 6.169 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -9.935 4.893 5.878 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.355 5.506 5.054 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.548 6.587 4.659 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -8.607 5.404 2.497 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.714 4.276 3.870 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -10.174 4.686 2.938 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -9.526 7.686 2.681 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -11.129 7.056 3.129 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -10.305 8.226 4.187 1.00 1.03 H new ATOM 680 N TYR A 44 -12.813 7.635 6.122 1.00 0.50 N ATOM 681 CA TYR A 44 -14.238 7.793 6.378 1.00 0.53 C ATOM 682 C TYR A 44 -14.977 6.476 6.145 1.00 0.48 C ATOM 683 O TYR A 44 -14.710 5.774 5.169 1.00 0.48 O ATOM 684 CB TYR A 44 -14.824 8.886 5.484 1.00 0.60 C ATOM 685 CG TYR A 44 -14.037 10.177 5.507 1.00 0.74 C ATOM 686 CD1 TYR A 44 -13.982 10.959 6.655 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.347 10.612 4.382 1.00 0.91 C ATOM 688 CE1 TYR A 44 -13.263 12.139 6.679 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.626 11.790 4.400 1.00 1.10 C ATOM 690 CZ TYR A 44 -12.586 12.550 5.550 1.00 1.16 C ATOM 691 OH TYR A 44 -11.868 13.724 5.571 1.00 1.41 O ATOM 0 H TYR A 44 -12.478 8.117 5.288 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.365 8.085 7.421 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.872 8.518 4.459 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.848 9.089 5.798 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -14.509 10.639 7.542 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -13.375 10.020 3.479 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -13.231 12.737 7.578 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -12.096 12.115 3.517 1.00 1.10 H new ATOM 0 HH TYR A 44 -11.450 13.868 4.696 1.00 1.41 H new ATOM 701 N PRO A 45 -15.920 6.121 7.039 1.00 0.62 N ATOM 702 CA PRO A 45 -16.693 4.878 6.921 1.00 0.65 C ATOM 703 C PRO A 45 -17.496 4.811 5.624 1.00 0.65 C ATOM 704 O PRO A 45 -17.869 3.728 5.172 1.00 0.70 O ATOM 705 CB PRO A 45 -17.632 4.918 8.132 1.00 0.86 C ATOM 706 CG PRO A 45 -16.988 5.864 9.085 1.00 1.32 C ATOM 707 CD PRO A 45 -16.304 6.892 8.234 1.00 0.87 C ATOM 0 HA PRO A 45 -16.046 4.001 6.899 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.628 5.259 7.849 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.748 3.929 8.575 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.728 6.326 9.739 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -16.274 5.348 9.727 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.969 7.719 7.986 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -15.436 7.320 8.736 1.00 0.87 H new ATOM 715 N ASP A 46 -17.759 5.972 5.030 1.00 0.67 N ATOM 716 CA ASP A 46 -18.516 6.037 3.784 1.00 0.74 C ATOM 717 C ASP A 46 -17.715 5.441 2.631 1.00 0.69 C ATOM 718 O ASP A 46 -18.281 4.865 1.701 1.00 0.76 O ATOM 719 CB ASP A 46 -18.894 7.484 3.465 1.00 0.89 C ATOM 720 CG ASP A 46 -19.772 7.595 2.233 1.00 1.26 C ATOM 721 OD1 ASP A 46 -19.227 7.555 1.109 1.00 2.01 O ATOM 722 OD2 ASP A 46 -21.004 7.723 2.391 1.00 1.77 O ATOM 0 H ASP A 46 -17.460 6.878 5.390 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.427 5.453 3.911 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -19.415 7.917 4.319 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -17.987 8.069 3.315 1.00 0.89 H new ATOM 727 N GLN A 47 -16.395 5.584 2.699 1.00 0.63 N ATOM 728 CA GLN A 47 -15.512 5.056 1.664 1.00 0.68 C ATOM 729 C GLN A 47 -15.318 3.553 1.838 1.00 0.61 C ATOM 730 O GLN A 47 -15.159 2.820 0.861 1.00 0.65 O ATOM 731 CB GLN A 47 -14.157 5.768 1.706 1.00 0.75 C ATOM 732 CG GLN A 47 -14.267 7.284 1.702 1.00 0.78 C ATOM 733 CD GLN A 47 -13.600 7.913 0.494 1.00 1.21 C ATOM 734 OE1 GLN A 47 -12.547 8.543 0.609 1.00 1.94 O ATOM 735 NE2 GLN A 47 -14.211 7.748 -0.674 1.00 1.56 N ATOM 0 H GLN A 47 -15.913 6.061 3.461 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.976 5.237 0.694 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.618 5.453 2.600 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.563 5.453 0.848 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -15.319 7.568 1.721 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.813 7.680 2.610 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -15.082 7.219 -0.724 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -13.810 8.150 -1.521 1.00 1.56 H new ATOM 744 N VAL A 48 -15.331 3.102 3.088 1.00 0.57 N ATOM 745 CA VAL A 48 -15.165 1.687 3.395 1.00 0.57 C ATOM 746 C VAL A 48 -16.317 0.867 2.824 1.00 0.55 C ATOM 747 O VAL A 48 -16.137 -0.284 2.429 1.00 0.51 O ATOM 748 CB VAL A 48 -15.085 1.449 4.916 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.756 -0.006 5.216 1.00 0.88 C ATOM 750 CG2 VAL A 48 -14.058 2.376 5.549 1.00 0.75 C ATOM 0 H VAL A 48 -15.455 3.698 3.906 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.230 1.368 2.935 1.00 0.57 H new ATOM 0 HB VAL A 48 -16.060 1.673 5.350 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -14.704 -0.152 6.295 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.532 -0.648 4.800 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -13.795 -0.262 4.769 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -14.016 2.193 6.623 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -13.078 2.187 5.110 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -14.343 3.412 5.368 1.00 0.75 H new ATOM 760 N GLU A 49 -17.500 1.473 2.784 1.00 0.60 N ATOM 761 CA GLU A 49 -18.688 0.807 2.260 1.00 0.63 C ATOM 762 C GLU A 49 -18.495 0.411 0.799 1.00 0.57 C ATOM 763 O GLU A 49 -18.804 -0.713 0.404 1.00 0.57 O ATOM 764 CB GLU A 49 -19.908 1.720 2.394 1.00 0.73 C ATOM 765 CG GLU A 49 -21.057 1.096 3.169 1.00 0.87 C ATOM 766 CD GLU A 49 -22.191 0.646 2.270 1.00 1.55 C ATOM 767 OE1 GLU A 49 -22.116 -0.480 1.736 1.00 2.44 O ATOM 768 OE2 GLU A 49 -23.156 1.421 2.098 1.00 1.73 O ATOM 0 H GLU A 49 -17.662 2.426 3.109 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.851 -0.099 2.843 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.607 2.643 2.889 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.258 1.992 1.398 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -20.686 0.242 3.735 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -21.436 1.818 3.892 1.00 0.87 H new ATOM 775 N GLN A 50 -17.984 1.346 0.003 1.00 0.56 N ATOM 776 CA GLN A 50 -17.751 1.104 -1.417 1.00 0.55 C ATOM 777 C GLN A 50 -16.801 -0.070 -1.632 1.00 0.48 C ATOM 778 O GLN A 50 -16.915 -0.800 -2.616 1.00 0.56 O ATOM 779 CB GLN A 50 -17.182 2.359 -2.081 1.00 0.59 C ATOM 780 CG GLN A 50 -17.763 2.637 -3.457 1.00 0.91 C ATOM 781 CD GLN A 50 -17.582 4.080 -3.885 1.00 1.33 C ATOM 782 OE1 GLN A 50 -18.357 4.955 -3.501 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.554 4.335 -4.686 1.00 1.46 N ATOM 0 H GLN A 50 -17.723 2.280 0.318 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.709 0.855 -1.874 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -17.370 3.218 -1.436 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.100 2.256 -2.167 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -17.287 1.983 -4.187 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -18.825 2.393 -3.455 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.936 3.578 -4.980 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -16.382 5.288 -5.007 1.00 1.46 H new ATOM 792 N ILE A 51 -15.863 -0.246 -0.706 1.00 0.40 N ATOM 793 CA ILE A 51 -14.891 -1.330 -0.800 1.00 0.38 C ATOM 794 C ILE A 51 -15.513 -2.665 -0.403 1.00 0.41 C ATOM 795 O ILE A 51 -15.359 -3.665 -1.106 1.00 0.47 O ATOM 796 CB ILE A 51 -13.663 -1.063 0.091 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.134 0.354 -0.141 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.575 -2.091 -0.181 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.285 0.878 0.998 1.00 0.42 C ATOM 0 H ILE A 51 -15.756 0.347 0.117 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.572 -1.377 -1.841 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.966 -1.151 1.134 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.545 0.367 -1.058 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.977 1.027 -0.294 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.715 -1.888 0.457 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -12.957 -3.090 0.032 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.273 -2.033 -1.227 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.945 1.887 0.764 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.876 0.897 1.913 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.422 0.227 1.137 1.00 0.42 H new ATOM 811 N SER A 52 -16.211 -2.672 0.727 1.00 0.43 N ATOM 812 CA SER A 52 -16.860 -3.881 1.229 1.00 0.50 C ATOM 813 C SER A 52 -17.775 -4.498 0.174 1.00 0.52 C ATOM 814 O SER A 52 -17.666 -5.685 -0.137 1.00 0.59 O ATOM 815 CB SER A 52 -17.663 -3.562 2.490 1.00 0.57 C ATOM 816 OG SER A 52 -17.934 -4.737 3.233 1.00 1.42 O ATOM 0 H SER A 52 -16.343 -1.850 1.317 1.00 0.43 H new ATOM 0 HA SER A 52 -16.081 -4.605 1.469 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.109 -2.856 3.109 1.00 0.57 H new ATOM 0 HB3 SER A 52 -18.600 -3.078 2.215 1.00 0.57 H new ATOM 0 HG SER A 52 -18.447 -4.506 4.035 1.00 1.42 H new ATOM 822 N SER A 53 -18.677 -3.686 -0.369 1.00 0.54 N ATOM 823 CA SER A 53 -19.618 -4.151 -1.384 1.00 0.60 C ATOM 824 C SER A 53 -18.887 -4.723 -2.595 1.00 0.63 C ATOM 825 O SER A 53 -19.292 -5.744 -3.150 1.00 0.70 O ATOM 826 CB SER A 53 -20.533 -3.005 -1.822 1.00 0.68 C ATOM 827 OG SER A 53 -21.470 -3.444 -2.789 1.00 0.93 O ATOM 0 H SER A 53 -18.777 -2.701 -0.123 1.00 0.54 H new ATOM 0 HA SER A 53 -20.221 -4.945 -0.943 1.00 0.60 H new ATOM 0 HB2 SER A 53 -21.060 -2.604 -0.956 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.933 -2.193 -2.234 1.00 0.68 H new ATOM 0 HG SER A 53 -22.044 -2.695 -3.052 1.00 0.93 H new ATOM 833 N GLN A 54 -17.809 -4.058 -2.999 1.00 0.67 N ATOM 834 CA GLN A 54 -17.023 -4.500 -4.146 1.00 0.80 C ATOM 835 C GLN A 54 -16.426 -5.885 -3.906 1.00 0.81 C ATOM 836 O GLN A 54 -16.413 -6.728 -4.802 1.00 0.97 O ATOM 837 CB GLN A 54 -15.909 -3.495 -4.441 1.00 0.94 C ATOM 838 CG GLN A 54 -16.119 -2.714 -5.727 1.00 1.35 C ATOM 839 CD GLN A 54 -15.662 -3.478 -6.953 1.00 1.75 C ATOM 840 OE1 GLN A 54 -16.239 -4.506 -7.309 1.00 2.48 O ATOM 841 NE2 GLN A 54 -14.622 -2.980 -7.610 1.00 2.07 N ATOM 0 H GLN A 54 -17.460 -3.212 -2.549 1.00 0.67 H new ATOM 0 HA GLN A 54 -17.689 -4.561 -5.007 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -15.833 -2.795 -3.609 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -14.959 -4.025 -4.499 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -17.176 -2.468 -5.830 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -15.576 -1.771 -5.668 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -14.173 -2.125 -7.281 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -14.272 -3.452 -8.444 1.00 2.07 H new ATOM 850 N LYS A 55 -15.935 -6.111 -2.691 1.00 0.68 N ATOM 851 CA LYS A 55 -15.332 -7.391 -2.331 1.00 0.73 C ATOM 852 C LYS A 55 -16.331 -8.535 -2.480 1.00 0.86 C ATOM 853 O LYS A 55 -15.951 -9.667 -2.780 1.00 1.12 O ATOM 854 CB LYS A 55 -14.808 -7.342 -0.892 1.00 0.65 C ATOM 855 CG LYS A 55 -14.287 -8.677 -0.384 1.00 0.74 C ATOM 856 CD LYS A 55 -13.982 -8.626 1.105 1.00 0.76 C ATOM 857 CE LYS A 55 -12.492 -8.484 1.362 1.00 1.36 C ATOM 858 NZ LYS A 55 -11.934 -9.669 2.071 1.00 1.77 N ATOM 0 H LYS A 55 -15.943 -5.423 -1.938 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.501 -7.573 -3.012 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.009 -6.603 -0.831 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -15.608 -7.001 -0.235 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -15.025 -9.455 -0.579 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.385 -8.949 -0.932 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -14.512 -7.788 1.558 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -14.350 -9.533 1.584 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -11.971 -8.350 0.414 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -12.310 -7.588 1.955 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -11.050 -9.965 1.610 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -11.741 -9.421 3.062 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -12.621 -10.449 2.037 1.00 1.77 H new ATOM 872 N GLN A 56 -17.609 -8.232 -2.273 1.00 0.79 N ATOM 873 CA GLN A 56 -18.659 -9.238 -2.380 1.00 0.97 C ATOM 874 C GLN A 56 -18.683 -9.863 -3.771 1.00 1.12 C ATOM 875 O GLN A 56 -19.038 -11.030 -3.930 1.00 1.37 O ATOM 876 CB GLN A 56 -20.023 -8.620 -2.062 1.00 0.96 C ATOM 877 CG GLN A 56 -20.612 -9.093 -0.742 1.00 1.58 C ATOM 878 CD GLN A 56 -19.805 -8.630 0.455 1.00 2.14 C ATOM 879 OE1 GLN A 56 -18.756 -9.193 0.767 1.00 2.41 O ATOM 880 NE2 GLN A 56 -20.293 -7.598 1.135 1.00 3.02 N ATOM 0 H GLN A 56 -17.942 -7.299 -2.030 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.445 -10.023 -1.655 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -19.924 -7.535 -2.038 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.718 -8.859 -2.867 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.634 -8.724 -0.651 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.665 -10.182 -0.741 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -21.167 -7.161 0.841 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -19.794 -7.243 1.951 1.00 3.02 H new ATOM 889 N ARG A 57 -18.302 -9.079 -4.775 1.00 1.15 N ATOM 890 CA ARG A 57 -18.284 -9.561 -6.151 1.00 1.46 C ATOM 891 C ARG A 57 -16.903 -10.094 -6.524 1.00 1.58 C ATOM 892 O ARG A 57 -16.196 -9.491 -7.332 1.00 1.74 O ATOM 893 CB ARG A 57 -18.687 -8.440 -7.111 1.00 1.66 C ATOM 894 CG ARG A 57 -19.750 -7.510 -6.551 1.00 1.38 C ATOM 895 CD ARG A 57 -19.996 -6.328 -7.473 1.00 1.67 C ATOM 896 NE ARG A 57 -21.409 -5.966 -7.532 1.00 1.89 N ATOM 897 CZ ARG A 57 -21.889 -4.992 -8.300 1.00 2.38 C ATOM 898 NH1 ARG A 57 -21.073 -4.287 -9.073 1.00 2.83 N ATOM 899 NH2 ARG A 57 -23.187 -4.723 -8.298 1.00 2.99 N ATOM 0 H ARG A 57 -18.003 -8.111 -4.662 1.00 1.15 H new ATOM 0 HA ARG A 57 -19.002 -10.377 -6.233 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -17.803 -7.856 -7.365 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -19.054 -8.881 -8.037 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -20.679 -8.062 -6.409 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -19.440 -7.150 -5.570 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -19.416 -5.472 -7.128 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -19.641 -6.570 -8.475 1.00 1.67 H new ATOM 0 HE ARG A 57 -22.065 -6.489 -6.952 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -20.074 -4.491 -9.080 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -21.445 -3.541 -9.661 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -23.819 -5.263 -7.707 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -23.554 -3.976 -8.887 1.00 2.99 H new ATOM 913 N GLY A 58 -16.547 -11.235 -5.936 1.00 1.74 N ATOM 914 CA GLY A 58 -15.261 -11.868 -6.203 1.00 2.05 C ATOM 915 C GLY A 58 -14.156 -10.880 -6.531 1.00 1.56 C ATOM 916 O GLY A 58 -13.515 -10.985 -7.578 1.00 1.61 O ATOM 0 H GLY A 58 -17.134 -11.739 -5.271 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -14.966 -12.455 -5.333 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -15.373 -12.564 -7.034 1.00 2.05 H new ATOM 920 N ARG A 59 -13.930 -9.921 -5.640 1.00 1.40 N ATOM 921 CA ARG A 59 -12.895 -8.915 -5.849 1.00 1.48 C ATOM 922 C ARG A 59 -11.995 -8.789 -4.622 1.00 1.02 C ATOM 923 O ARG A 59 -12.179 -9.497 -3.631 1.00 1.47 O ATOM 924 CB ARG A 59 -13.530 -7.562 -6.174 1.00 2.32 C ATOM 925 CG ARG A 59 -13.800 -7.357 -7.655 1.00 3.01 C ATOM 926 CD ARG A 59 -12.538 -6.955 -8.401 1.00 3.79 C ATOM 927 NE ARG A 59 -12.750 -6.893 -9.845 1.00 4.29 N ATOM 928 CZ ARG A 59 -12.915 -5.758 -10.518 1.00 4.87 C ATOM 929 NH1 ARG A 59 -12.900 -4.595 -9.881 1.00 5.10 N ATOM 930 NH2 ARG A 59 -13.096 -5.786 -11.832 1.00 5.55 N ATOM 0 H ARG A 59 -14.448 -9.819 -4.768 1.00 1.40 H new ATOM 0 HA ARG A 59 -12.281 -9.233 -6.691 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -14.468 -7.469 -5.626 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -12.874 -6.767 -5.819 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -14.200 -8.276 -8.084 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -14.561 -6.587 -7.784 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -12.200 -5.983 -8.043 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -11.745 -7.669 -8.182 1.00 3.79 H new ATOM 0 HE ARG A 59 -12.773 -7.769 -10.366 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -12.761 -4.569 -8.871 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -13.027 -3.727 -10.401 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -13.109 -6.678 -12.326 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -13.223 -4.915 -12.348 1.00 5.55 H new ATOM 944 N SER A 60 -11.023 -7.885 -4.699 1.00 0.87 N ATOM 945 CA SER A 60 -10.091 -7.666 -3.598 1.00 0.54 C ATOM 946 C SER A 60 -10.302 -6.292 -2.970 1.00 0.42 C ATOM 947 O SER A 60 -10.266 -5.272 -3.660 1.00 0.40 O ATOM 948 CB SER A 60 -8.649 -7.800 -4.089 1.00 0.77 C ATOM 949 OG SER A 60 -8.458 -9.019 -4.787 1.00 1.51 O ATOM 0 H SER A 60 -10.860 -7.292 -5.513 1.00 0.87 H new ATOM 0 HA SER A 60 -10.281 -8.424 -2.838 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.405 -6.962 -4.741 1.00 0.77 H new ATOM 0 HB3 SER A 60 -7.967 -7.753 -3.240 1.00 0.77 H new ATOM 0 HG SER A 60 -7.529 -9.079 -5.092 1.00 1.51 H new ATOM 955 N ALA A 61 -10.523 -6.273 -1.659 1.00 0.38 N ATOM 956 CA ALA A 61 -10.741 -5.026 -0.936 1.00 0.33 C ATOM 957 C ALA A 61 -9.525 -4.111 -1.036 1.00 0.29 C ATOM 958 O ALA A 61 -9.660 -2.891 -1.133 1.00 0.27 O ATOM 959 CB ALA A 61 -11.070 -5.310 0.522 1.00 0.39 C ATOM 0 H ALA A 61 -10.556 -7.109 -1.075 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.587 -4.514 -1.395 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.230 -4.369 1.049 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -11.974 -5.917 0.580 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.242 -5.848 0.984 1.00 0.39 H new ATOM 965 N SER A 62 -8.337 -4.708 -1.010 1.00 0.33 N ATOM 966 CA SER A 62 -7.095 -3.949 -1.099 1.00 0.34 C ATOM 967 C SER A 62 -6.976 -3.263 -2.454 1.00 0.31 C ATOM 968 O SER A 62 -6.421 -2.169 -2.558 1.00 0.31 O ATOM 969 CB SER A 62 -5.894 -4.867 -0.866 1.00 0.42 C ATOM 970 OG SER A 62 -6.260 -6.228 -1.001 1.00 0.66 O ATOM 0 H SER A 62 -8.209 -5.717 -0.928 1.00 0.33 H new ATOM 0 HA SER A 62 -7.108 -3.182 -0.325 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.105 -4.627 -1.579 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.487 -4.693 0.130 1.00 0.42 H new ATOM 0 HG SER A 62 -5.702 -6.777 -0.411 1.00 0.66 H new ATOM 976 N ASN A 63 -7.495 -3.913 -3.492 1.00 0.32 N ATOM 977 CA ASN A 63 -7.453 -3.357 -4.838 1.00 0.32 C ATOM 978 C ASN A 63 -8.201 -2.029 -4.885 1.00 0.31 C ATOM 979 O ASN A 63 -7.672 -1.023 -5.360 1.00 0.33 O ATOM 980 CB ASN A 63 -8.050 -4.347 -5.846 1.00 0.35 C ATOM 981 CG ASN A 63 -9.002 -3.687 -6.826 1.00 0.92 C ATOM 982 OD1 ASN A 63 -8.579 -2.985 -7.745 1.00 1.40 O ATOM 983 ND2 ASN A 63 -10.298 -3.908 -6.633 1.00 1.79 N ATOM 0 H ASN A 63 -7.949 -4.824 -3.425 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.412 -3.178 -5.108 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -7.242 -4.827 -6.399 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.578 -5.133 -5.307 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -10.986 -3.489 -7.259 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -10.605 -4.497 -5.859 1.00 1.79 H new ATOM 990 N GLU A 64 -9.433 -2.035 -4.387 1.00 0.31 N ATOM 991 CA GLU A 64 -10.253 -0.830 -4.357 1.00 0.33 C ATOM 992 C GLU A 64 -9.641 0.206 -3.422 1.00 0.31 C ATOM 993 O GLU A 64 -9.668 1.404 -3.702 1.00 0.34 O ATOM 994 CB GLU A 64 -11.675 -1.164 -3.908 1.00 0.37 C ATOM 995 CG GLU A 64 -12.691 -1.127 -5.037 1.00 0.87 C ATOM 996 CD GLU A 64 -13.494 0.158 -5.057 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.961 0.584 -3.979 1.00 1.72 O ATOM 998 OE2 GLU A 64 -13.656 0.742 -6.150 1.00 1.66 O ATOM 0 H GLU A 64 -9.886 -2.862 -3.998 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.291 -0.415 -5.364 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.681 -2.156 -3.456 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.978 -0.459 -3.134 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -12.174 -1.243 -5.990 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -13.370 -1.974 -4.938 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.092 -0.271 -2.307 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.464 0.605 -1.323 1.00 0.29 C ATOM 1007 C PHE A 65 -7.361 1.435 -1.968 1.00 0.30 C ATOM 1008 O PHE A 65 -7.296 2.649 -1.782 1.00 0.33 O ATOM 1009 CB PHE A 65 -7.891 -0.221 -0.166 1.00 0.30 C ATOM 1010 CG PHE A 65 -6.989 0.560 0.749 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.484 1.614 1.500 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.646 0.238 0.857 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.655 2.332 2.341 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -4.813 0.952 1.697 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.318 2.000 2.439 1.00 0.48 C ATOM 0 H PHE A 65 -9.070 -1.261 -2.063 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.224 1.282 -0.933 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -8.715 -0.633 0.416 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.336 -1.065 -0.575 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.529 1.877 1.427 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.245 -0.581 0.278 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -7.052 3.152 2.921 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -3.768 0.690 1.773 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.669 2.560 3.096 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.497 0.772 -2.727 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.395 1.449 -3.404 1.00 0.35 C ATOM 1027 C LEU A 66 -5.919 2.445 -4.434 1.00 0.37 C ATOM 1028 O LEU A 66 -5.319 3.495 -4.657 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.481 0.428 -4.088 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.167 0.131 -3.358 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.289 1.372 -3.310 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.438 -0.390 -1.954 1.00 0.61 C ATOM 0 H LEU A 66 -6.537 -0.234 -2.890 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.823 1.994 -2.653 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.031 -0.506 -4.205 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.247 0.788 -5.090 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.636 -0.643 -3.912 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.361 1.141 -2.788 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.063 1.697 -4.325 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.814 2.169 -2.782 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.492 -0.595 -1.453 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -3.993 0.359 -1.389 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.023 -1.308 -2.013 1.00 0.61 H new ATOM 1044 N ASN A 67 -7.038 2.102 -5.062 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.646 2.962 -6.074 1.00 0.42 C ATOM 1046 C ASN A 67 -8.109 4.289 -5.475 1.00 0.41 C ATOM 1047 O ASN A 67 -8.194 5.297 -6.176 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.828 2.247 -6.730 1.00 0.47 C ATOM 1049 CG ASN A 67 -8.421 1.480 -7.973 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.855 2.045 -8.909 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.709 0.183 -7.988 1.00 1.48 N ATOM 0 H ASN A 67 -7.544 1.234 -4.889 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.888 3.178 -6.827 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -9.277 1.560 -6.013 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.592 2.979 -6.992 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.460 -0.385 -8.797 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -9.179 -0.244 -7.190 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.409 4.283 -4.178 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.874 5.487 -3.495 1.00 0.35 C ATOM 1060 C ILE A 68 -7.725 6.227 -2.816 1.00 0.35 C ATOM 1061 O ILE A 68 -7.521 7.419 -3.046 1.00 0.41 O ATOM 1062 CB ILE A 68 -9.951 5.152 -2.441 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.113 4.397 -3.090 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.451 6.421 -1.765 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.691 3.304 -2.215 1.00 0.52 C ATOM 0 H ILE A 68 -8.338 3.459 -3.580 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.307 6.132 -4.260 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.503 4.513 -1.680 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.902 5.106 -3.339 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.771 3.958 -4.027 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.210 6.165 -1.025 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.618 6.923 -1.272 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -10.884 7.085 -2.513 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.510 2.812 -2.740 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -10.916 2.573 -1.986 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.064 3.739 -1.288 1.00 0.52 H new ATOM 1077 N TRP A 69 -6.978 5.514 -1.980 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.852 6.107 -1.264 1.00 0.38 C ATOM 1079 C TRP A 69 -4.696 6.406 -2.214 1.00 0.45 C ATOM 1080 O TRP A 69 -3.744 7.096 -1.850 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.382 5.171 -0.148 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.451 5.826 0.826 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.756 6.821 1.709 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.061 5.535 1.012 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.641 7.166 2.434 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.589 6.390 2.024 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.171 4.633 0.422 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.266 6.371 2.459 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -0.858 4.614 0.854 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.416 5.479 1.864 1.00 0.63 C ATOM 0 H TRP A 69 -7.131 4.525 -1.781 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.188 7.047 -0.825 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.252 4.794 0.390 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -4.884 4.310 -0.592 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.731 7.271 1.821 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.603 7.883 3.159 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.503 3.963 -0.357 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.923 7.036 3.238 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.161 3.921 0.406 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.616 5.441 2.179 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.787 5.883 -3.431 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.744 6.104 -4.415 1.00 0.74 C ATOM 1103 C GLY A 70 -4.294 6.569 -5.747 1.00 0.86 C ATOM 1104 O GLY A 70 -4.083 5.922 -6.773 1.00 1.08 O ATOM 0 H GLY A 70 -5.566 5.309 -3.754 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -3.042 6.847 -4.036 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.183 5.181 -4.559 1.00 0.74 H new ATOM 1108 N GLY A 71 -5.002 7.694 -5.731 1.00 0.96 N ATOM 1109 CA GLY A 71 -5.576 8.230 -6.951 1.00 1.16 C ATOM 1110 C GLY A 71 -6.329 9.524 -6.715 1.00 1.26 C ATOM 1111 O GLY A 71 -6.404 10.377 -7.598 1.00 1.54 O ATOM 0 H GLY A 71 -5.189 8.245 -4.893 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -4.782 8.402 -7.678 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -6.252 7.493 -7.386 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.889 9.666 -5.516 1.00 1.15 N ATOM 1116 CA GLN A 72 -7.640 10.865 -5.159 1.00 1.31 C ATOM 1117 C GLN A 72 -6.789 11.805 -4.313 1.00 1.31 C ATOM 1118 O GLN A 72 -6.777 13.016 -4.533 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.913 10.489 -4.398 1.00 1.35 C ATOM 1120 CG GLN A 72 -9.657 9.306 -4.997 1.00 1.21 C ATOM 1121 CD GLN A 72 -11.162 9.470 -4.926 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -11.729 9.655 -3.849 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -11.820 9.402 -6.079 1.00 1.99 N ATOM 0 H GLN A 72 -6.837 8.966 -4.776 1.00 1.15 H new ATOM 0 HA GLN A 72 -7.915 11.379 -6.080 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -8.653 10.258 -3.365 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -9.579 11.351 -4.374 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -9.357 9.182 -6.038 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -9.369 8.396 -4.471 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -11.310 9.247 -6.949 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -12.835 9.505 -6.094 1.00 1.99 H new ATOM 1132 N TYR A 73 -6.078 11.238 -3.343 1.00 1.08 N ATOM 1133 CA TYR A 73 -5.222 12.024 -2.462 1.00 1.16 C ATOM 1134 C TYR A 73 -3.763 11.922 -2.893 1.00 1.24 C ATOM 1135 O TYR A 73 -2.968 12.828 -2.640 1.00 1.49 O ATOM 1136 CB TYR A 73 -5.372 11.555 -1.014 1.00 1.13 C ATOM 1137 CG TYR A 73 -6.810 11.396 -0.572 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -7.630 12.505 -0.398 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -7.348 10.139 -0.327 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -8.943 12.365 0.008 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -8.660 9.991 0.078 1.00 0.97 C ATOM 1142 CZ TYR A 73 -9.453 11.106 0.244 1.00 1.27 C ATOM 1143 OH TYR A 73 -10.762 10.962 0.647 1.00 1.38 O ATOM 0 H TYR A 73 -6.078 10.237 -3.147 1.00 1.08 H new ATOM 0 HA TYR A 73 -5.533 13.067 -2.531 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -4.857 10.602 -0.895 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -4.876 12.269 -0.357 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -7.234 13.493 -0.583 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -6.730 9.263 -0.455 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -9.567 13.237 0.140 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -9.063 9.006 0.264 1.00 0.97 H new ATOM 0 HH TYR A 73 -11.056 10.042 0.480 1.00 1.38 H new ATOM 1153 N ASN A 74 -3.422 10.809 -3.544 1.00 1.23 N ATOM 1154 CA ASN A 74 -2.060 10.572 -4.018 1.00 1.34 C ATOM 1155 C ASN A 74 -1.082 10.436 -2.854 1.00 0.95 C ATOM 1156 O ASN A 74 -1.234 11.087 -1.820 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.610 11.700 -4.951 1.00 1.91 C ATOM 1158 CG ASN A 74 -2.675 12.068 -5.966 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -2.873 11.363 -6.956 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -3.364 13.176 -5.725 1.00 3.10 N ATOM 0 H ASN A 74 -4.075 10.054 -3.755 1.00 1.23 H new ATOM 0 HA ASN A 74 -2.063 9.633 -4.572 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -1.357 12.579 -4.358 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.703 11.396 -5.474 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -4.092 13.475 -6.373 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -3.165 13.729 -4.891 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.079 9.582 -3.031 1.00 0.64 N ATOM 1168 CA HIS A 75 0.924 9.354 -2.000 1.00 0.65 C ATOM 1169 C HIS A 75 2.174 8.712 -2.603 1.00 0.56 C ATOM 1170 O HIS A 75 2.468 8.904 -3.781 1.00 1.01 O ATOM 1171 CB HIS A 75 0.345 8.467 -0.899 1.00 1.06 C ATOM 1172 CG HIS A 75 0.711 8.913 0.483 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -0.226 9.251 1.437 1.00 2.23 N ATOM 1174 CD2 HIS A 75 1.919 9.080 1.071 1.00 2.43 C ATOM 1175 CE1 HIS A 75 0.391 9.608 2.550 1.00 2.72 C ATOM 1176 NE2 HIS A 75 1.692 9.513 2.354 1.00 2.80 N ATOM 0 H HIS A 75 0.060 9.036 -3.881 1.00 0.64 H new ATOM 0 HA HIS A 75 1.208 10.313 -1.566 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.741 8.450 -0.991 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.693 7.445 -1.046 1.00 1.06 H new ATOM 0 HD1 HIS A 75 -1.237 9.229 1.304 1.00 2.23 H new ATOM 0 HD2 HIS A 75 2.882 8.905 0.615 1.00 2.43 H new ATOM 0 HE1 HIS A 75 -0.089 9.924 3.465 1.00 2.72 H new ATOM 1185 N THR A 76 2.908 7.950 -1.792 1.00 0.64 N ATOM 1186 CA THR A 76 4.122 7.287 -2.260 1.00 0.64 C ATOM 1187 C THR A 76 4.294 5.925 -1.595 1.00 0.51 C ATOM 1188 O THR A 76 3.725 5.664 -0.535 1.00 0.43 O ATOM 1189 CB THR A 76 5.377 8.135 -1.977 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.509 8.364 -0.569 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.314 9.470 -2.707 1.00 1.07 C ATOM 0 H THR A 76 2.683 7.778 -0.812 1.00 0.64 H new ATOM 0 HA THR A 76 4.012 7.159 -3.337 1.00 0.64 H new ATOM 0 HB THR A 76 6.244 7.583 -2.340 1.00 0.89 H new ATOM 0 HG1 THR A 76 6.310 8.902 -0.399 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.213 10.047 -2.489 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.247 9.295 -3.781 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.437 10.025 -2.375 1.00 1.07 H new ATOM 1199 N VAL A 77 5.082 5.060 -2.229 1.00 0.53 N ATOM 1200 CA VAL A 77 5.331 3.721 -1.705 1.00 0.49 C ATOM 1201 C VAL A 77 6.065 3.776 -0.369 1.00 0.40 C ATOM 1202 O VAL A 77 6.083 2.800 0.381 1.00 0.39 O ATOM 1203 CB VAL A 77 6.152 2.871 -2.694 1.00 0.61 C ATOM 1204 CG1 VAL A 77 6.053 1.395 -2.342 1.00 1.22 C ATOM 1205 CG2 VAL A 77 5.688 3.114 -4.124 1.00 1.25 C ATOM 0 H VAL A 77 5.559 5.263 -3.107 1.00 0.53 H new ATOM 0 HA VAL A 77 4.356 3.256 -1.560 1.00 0.49 H new ATOM 0 HB VAL A 77 7.197 3.171 -2.618 1.00 0.61 H new ATOM 0 HG11 VAL A 77 6.639 0.812 -3.052 1.00 1.22 H new ATOM 0 HG12 VAL A 77 6.438 1.235 -1.335 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.011 1.079 -2.387 1.00 1.22 H new ATOM 0 HG21 VAL A 77 6.280 2.505 -4.807 1.00 1.25 H new ATOM 0 HG22 VAL A 77 4.636 2.844 -4.216 1.00 1.25 H new ATOM 0 HG23 VAL A 77 5.816 4.167 -4.374 1.00 1.25 H new ATOM 1215 N GLN A 78 6.673 4.923 -0.079 1.00 0.42 N ATOM 1216 CA GLN A 78 7.408 5.107 1.168 1.00 0.42 C ATOM 1217 C GLN A 78 6.525 4.794 2.372 1.00 0.37 C ATOM 1218 O GLN A 78 6.797 3.862 3.130 1.00 0.35 O ATOM 1219 CB GLN A 78 7.935 6.539 1.267 1.00 0.54 C ATOM 1220 CG GLN A 78 9.338 6.635 1.842 1.00 1.05 C ATOM 1221 CD GLN A 78 9.382 7.406 3.148 1.00 1.49 C ATOM 1222 OE1 GLN A 78 9.845 6.895 4.167 1.00 2.24 O ATOM 1223 NE2 GLN A 78 8.899 8.643 3.122 1.00 1.87 N ATOM 0 H GLN A 78 6.671 5.739 -0.691 1.00 0.42 H new ATOM 0 HA GLN A 78 8.251 4.416 1.169 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.927 6.989 0.274 1.00 0.54 H new ATOM 0 HB3 GLN A 78 7.257 7.124 1.888 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.730 5.631 2.004 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.992 7.119 1.116 1.00 1.05 H new ATOM 0 HE21 GLN A 78 8.525 9.026 2.254 1.00 1.87 H new ATOM 0 HE22 GLN A 78 8.902 9.210 3.970 1.00 1.87 H new ATOM 1232 N THR A 79 5.469 5.584 2.542 1.00 0.42 N ATOM 1233 CA THR A 79 4.539 5.398 3.650 1.00 0.45 C ATOM 1234 C THR A 79 3.968 3.984 3.662 1.00 0.39 C ATOM 1235 O THR A 79 3.706 3.419 4.725 1.00 0.40 O ATOM 1236 CB THR A 79 3.379 6.409 3.579 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.889 7.727 3.349 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.567 6.395 4.865 1.00 0.71 C ATOM 0 H THR A 79 5.236 6.361 1.924 1.00 0.42 H new ATOM 0 HA THR A 79 5.103 5.563 4.568 1.00 0.45 H new ATOM 0 HB THR A 79 2.729 6.121 2.753 1.00 0.56 H new ATOM 0 HG1 THR A 79 3.147 8.334 3.146 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.754 7.117 4.790 1.00 0.71 H new ATOM 0 HG22 THR A 79 2.154 5.399 5.024 1.00 0.71 H new ATOM 0 HG23 THR A 79 3.210 6.659 5.704 1.00 0.71 H new ATOM 1246 N LEU A 80 3.777 3.418 2.475 1.00 0.35 N ATOM 1247 CA LEU A 80 3.232 2.070 2.345 1.00 0.34 C ATOM 1248 C LEU A 80 4.137 1.041 3.016 1.00 0.32 C ATOM 1249 O LEU A 80 3.662 0.043 3.557 1.00 0.34 O ATOM 1250 CB LEU A 80 3.040 1.716 0.868 1.00 0.37 C ATOM 1251 CG LEU A 80 2.574 0.283 0.594 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.234 0.017 1.263 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.482 0.032 -0.904 1.00 0.50 C ATOM 0 H LEU A 80 3.992 3.872 1.587 1.00 0.35 H new ATOM 0 HA LEU A 80 2.264 2.050 2.847 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.314 2.405 0.438 1.00 0.37 H new ATOM 0 HB3 LEU A 80 3.983 1.880 0.346 1.00 0.37 H new ATOM 0 HG LEU A 80 3.308 -0.404 1.015 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.921 -1.006 1.056 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.331 0.156 2.340 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.489 0.710 0.873 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.150 -0.991 -1.082 1.00 0.50 H new ATOM 0 HD22 LEU A 80 1.769 0.727 -1.346 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.462 0.179 -1.358 1.00 0.50 H new ATOM 1265 N PHE A 81 5.443 1.283 2.971 1.00 0.33 N ATOM 1266 CA PHE A 81 6.409 0.373 3.576 1.00 0.36 C ATOM 1267 C PHE A 81 6.185 0.252 5.081 1.00 0.37 C ATOM 1268 O PHE A 81 5.925 -0.837 5.595 1.00 0.38 O ATOM 1269 CB PHE A 81 7.837 0.850 3.301 1.00 0.41 C ATOM 1270 CG PHE A 81 8.889 -0.138 3.720 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.180 -1.238 2.930 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.583 0.032 4.907 1.00 0.55 C ATOM 1273 CE1 PHE A 81 10.145 -2.149 3.314 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.549 -0.877 5.297 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.831 -1.968 4.500 1.00 0.73 C ATOM 0 H PHE A 81 5.856 2.101 2.523 1.00 0.33 H new ATOM 0 HA PHE A 81 6.267 -0.610 3.127 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.945 1.054 2.236 1.00 0.41 H new ATOM 0 HB3 PHE A 81 8.005 1.791 3.824 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.646 -1.385 2.003 1.00 0.59 H new ATOM 0 HD2 PHE A 81 9.367 0.884 5.535 1.00 0.55 H new ATOM 0 HE1 PHE A 81 10.363 -3.002 2.688 1.00 0.71 H new ATOM 0 HE2 PHE A 81 11.083 -0.733 6.225 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.586 -2.679 4.802 1.00 0.73 H new ATOM 1285 N ALA A 82 6.287 1.379 5.781 1.00 0.45 N ATOM 1286 CA ALA A 82 6.106 1.406 7.229 1.00 0.52 C ATOM 1287 C ALA A 82 4.707 0.948 7.632 1.00 0.45 C ATOM 1288 O ALA A 82 4.464 0.624 8.795 1.00 0.43 O ATOM 1289 CB ALA A 82 6.379 2.802 7.766 1.00 0.67 C ATOM 0 H ALA A 82 6.495 2.288 5.367 1.00 0.45 H new ATOM 0 HA ALA A 82 6.820 0.708 7.666 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.241 2.809 8.847 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.404 3.089 7.529 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.689 3.510 7.307 1.00 0.67 H new ATOM 1295 N LEU A 83 3.790 0.922 6.671 1.00 0.44 N ATOM 1296 CA LEU A 83 2.418 0.504 6.938 1.00 0.41 C ATOM 1297 C LEU A 83 2.359 -0.974 7.314 1.00 0.36 C ATOM 1298 O LEU A 83 1.814 -1.336 8.357 1.00 0.36 O ATOM 1299 CB LEU A 83 1.532 0.767 5.719 1.00 0.46 C ATOM 1300 CG LEU A 83 0.073 0.335 5.871 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.663 1.265 6.822 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.616 0.302 4.515 1.00 1.23 C ATOM 0 H LEU A 83 3.971 1.185 5.702 1.00 0.44 H new ATOM 0 HA LEU A 83 2.048 1.089 7.780 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.557 1.833 5.494 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.960 0.250 4.860 1.00 0.46 H new ATOM 0 HG LEU A 83 0.053 -0.670 6.292 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.700 0.942 6.918 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.183 1.239 7.800 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.635 2.282 6.431 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.653 -0.007 4.641 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.586 1.295 4.067 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.103 -0.406 3.863 1.00 1.23 H new ATOM 1314 N PHE A 84 2.918 -1.823 6.456 1.00 0.37 N ATOM 1315 CA PHE A 84 2.928 -3.264 6.694 1.00 0.39 C ATOM 1316 C PHE A 84 3.626 -3.602 8.009 1.00 0.39 C ATOM 1317 O PHE A 84 3.341 -4.629 8.625 1.00 0.41 O ATOM 1318 CB PHE A 84 3.617 -3.987 5.536 1.00 0.45 C ATOM 1319 CG PHE A 84 2.867 -3.893 4.237 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.566 -4.362 4.136 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.463 -3.335 3.117 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.875 -4.276 2.943 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.777 -3.246 1.921 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.481 -3.718 1.833 1.00 0.42 C ATOM 0 H PHE A 84 3.371 -1.538 5.588 1.00 0.37 H new ATOM 0 HA PHE A 84 1.893 -3.600 6.762 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.615 -3.570 5.401 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.743 -5.038 5.798 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.088 -4.799 5.000 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.476 -2.965 3.180 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.138 -4.644 2.878 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.253 -2.808 1.056 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.943 -3.651 0.899 1.00 0.42 H new ATOM 1334 N LYS A 85 4.543 -2.735 8.430 1.00 0.43 N ATOM 1335 CA LYS A 85 5.284 -2.938 9.674 1.00 0.47 C ATOM 1336 C LYS A 85 4.337 -3.133 10.854 1.00 0.48 C ATOM 1337 O LYS A 85 4.734 -3.638 11.905 1.00 0.51 O ATOM 1338 CB LYS A 85 6.210 -1.749 9.940 1.00 0.56 C ATOM 1339 CG LYS A 85 7.445 -2.108 10.749 1.00 0.83 C ATOM 1340 CD LYS A 85 8.707 -1.546 10.117 1.00 0.64 C ATOM 1341 CE LYS A 85 9.936 -1.855 10.956 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.580 -3.133 10.548 1.00 1.59 N ATOM 0 H LYS A 85 4.792 -1.883 7.927 1.00 0.43 H new ATOM 0 HA LYS A 85 5.883 -3.842 9.563 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.522 -1.322 8.987 1.00 0.56 H new ATOM 0 HB3 LYS A 85 5.652 -0.976 10.468 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.342 -1.722 11.763 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.528 -3.192 10.827 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.832 -1.965 9.118 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.607 -0.467 10.000 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.654 -1.040 10.862 1.00 1.03 H new ATOM 0 HE3 LYS A 85 9.653 -1.910 12.007 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.414 -3.307 11.144 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.903 -3.915 10.662 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.873 -3.072 9.552 1.00 1.59 H new ATOM 1356 N LYS A 86 3.084 -2.726 10.674 1.00 0.52 N ATOM 1357 CA LYS A 86 2.074 -2.850 11.719 1.00 0.59 C ATOM 1358 C LYS A 86 1.900 -4.303 12.154 1.00 0.61 C ATOM 1359 O LYS A 86 2.059 -4.632 13.329 1.00 0.69 O ATOM 1360 CB LYS A 86 0.737 -2.293 11.228 1.00 0.71 C ATOM 1361 CG LYS A 86 -0.311 -2.169 12.322 1.00 1.05 C ATOM 1362 CD LYS A 86 -1.679 -2.616 11.836 1.00 1.31 C ATOM 1363 CE LYS A 86 -2.773 -1.677 12.314 1.00 1.84 C ATOM 1364 NZ LYS A 86 -2.876 -1.655 13.800 1.00 2.31 N ATOM 0 H LYS A 86 2.743 -2.305 9.810 1.00 0.52 H new ATOM 0 HA LYS A 86 2.413 -2.275 12.581 1.00 0.59 H new ATOM 0 HB2 LYS A 86 0.903 -1.312 10.783 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.352 -2.939 10.439 1.00 0.71 H new ATOM 0 HG2 LYS A 86 -0.015 -2.771 13.181 1.00 1.05 H new ATOM 0 HG3 LYS A 86 -0.364 -1.134 12.661 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -1.684 -2.658 10.747 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -1.882 -3.625 12.194 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -2.572 -0.670 11.949 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -3.728 -1.986 11.888 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -3.687 -1.069 14.083 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -3.009 -2.624 14.153 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -2.004 -1.256 14.203 1.00 2.31 H new ATOM 1378 N LEU A 87 1.571 -5.168 11.198 1.00 0.61 N ATOM 1379 CA LEU A 87 1.367 -6.583 11.486 1.00 0.70 C ATOM 1380 C LEU A 87 2.652 -7.381 11.278 1.00 0.63 C ATOM 1381 O LEU A 87 2.633 -8.612 11.285 1.00 0.74 O ATOM 1382 CB LEU A 87 0.255 -7.148 10.599 1.00 0.80 C ATOM 1383 CG LEU A 87 -1.066 -6.379 10.647 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.814 -6.522 9.331 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.924 -6.867 11.804 1.00 1.46 C ATOM 0 H LEU A 87 1.440 -4.913 10.219 1.00 0.61 H new ATOM 0 HA LEU A 87 1.075 -6.673 12.532 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.609 -7.168 9.568 1.00 0.80 H new ATOM 0 HB3 LEU A 87 0.067 -8.181 10.892 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.845 -5.323 10.804 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.751 -5.968 9.383 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -1.203 -6.125 8.520 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -2.024 -7.575 9.145 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.860 -6.309 11.823 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.137 -7.928 11.677 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.391 -6.714 12.742 1.00 1.46 H new ATOM 1397 N LYS A 88 3.763 -6.672 11.095 1.00 0.52 N ATOM 1398 CA LYS A 88 5.057 -7.314 10.885 1.00 0.53 C ATOM 1399 C LYS A 88 4.992 -8.302 9.722 1.00 0.51 C ATOM 1400 O LYS A 88 5.387 -9.461 9.855 1.00 0.56 O ATOM 1401 CB LYS A 88 5.512 -8.034 12.158 1.00 0.69 C ATOM 1402 CG LYS A 88 5.228 -7.261 13.437 1.00 1.16 C ATOM 1403 CD LYS A 88 6.449 -6.487 13.903 1.00 1.45 C ATOM 1404 CE LYS A 88 6.068 -5.373 14.864 1.00 2.05 C ATOM 1405 NZ LYS A 88 6.679 -4.072 14.476 1.00 2.87 N ATOM 0 H LYS A 88 3.793 -5.652 11.088 1.00 0.52 H new ATOM 0 HA LYS A 88 5.782 -6.538 10.640 1.00 0.53 H new ATOM 0 HB2 LYS A 88 5.016 -9.003 12.213 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.583 -8.227 12.092 1.00 0.69 H new ATOM 0 HG2 LYS A 88 4.401 -6.571 13.270 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.914 -7.952 14.219 1.00 1.16 H new ATOM 0 HD2 LYS A 88 7.148 -7.167 14.391 1.00 1.45 H new ATOM 0 HD3 LYS A 88 6.965 -6.065 13.040 1.00 1.45 H new ATOM 0 HE2 LYS A 88 4.983 -5.271 14.890 1.00 2.05 H new ATOM 0 HE3 LYS A 88 6.387 -5.638 15.872 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 6.568 -3.391 15.254 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 7.691 -4.209 14.278 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 6.206 -3.706 13.625 1.00 2.87 H new ATOM 1419 N LEU A 89 4.487 -7.836 8.584 1.00 0.47 N ATOM 1420 CA LEU A 89 4.366 -8.678 7.399 1.00 0.46 C ATOM 1421 C LEU A 89 5.631 -8.615 6.549 1.00 0.45 C ATOM 1422 O LEU A 89 5.679 -7.913 5.539 1.00 0.43 O ATOM 1423 CB LEU A 89 3.153 -8.252 6.569 1.00 0.48 C ATOM 1424 CG LEU A 89 1.872 -8.014 7.369 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.900 -7.153 6.577 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.227 -9.340 7.748 1.00 1.31 C ATOM 0 H LEU A 89 4.155 -6.880 8.457 1.00 0.47 H new ATOM 0 HA LEU A 89 4.229 -9.708 7.729 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.403 -7.337 6.032 1.00 0.48 H new ATOM 0 HB3 LEU A 89 2.958 -9.019 5.819 1.00 0.48 H new ATOM 0 HG LEU A 89 2.131 -7.483 8.285 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.006 -6.994 7.162 1.00 1.25 H new ATOM 0 HD12 LEU A 89 1.363 -6.191 6.356 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.646 -7.656 5.644 1.00 1.25 H new ATOM 0 HD21 LEU A 89 0.316 -9.152 8.317 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.981 -9.897 6.844 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.921 -9.922 8.355 1.00 1.31 H new ATOM 1438 N HIS A 90 6.658 -9.352 6.970 1.00 0.55 N ATOM 1439 CA HIS A 90 7.926 -9.386 6.249 1.00 0.64 C ATOM 1440 C HIS A 90 7.714 -9.776 4.789 1.00 0.60 C ATOM 1441 O HIS A 90 8.493 -9.393 3.915 1.00 0.69 O ATOM 1442 CB HIS A 90 8.889 -10.372 6.916 1.00 0.81 C ATOM 1443 CG HIS A 90 9.383 -9.914 8.255 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.715 -9.674 8.524 1.00 1.62 N ATOM 1445 CD2 HIS A 90 8.717 -9.655 9.404 1.00 0.98 C ATOM 1446 CE1 HIS A 90 10.846 -9.287 9.780 1.00 1.84 C ATOM 1447 NE2 HIS A 90 9.648 -9.266 10.336 1.00 1.38 N ATOM 0 H HIS A 90 6.635 -9.933 7.808 1.00 0.55 H new ATOM 0 HA HIS A 90 8.359 -8.386 6.280 1.00 0.64 H new ATOM 0 HB2 HIS A 90 8.389 -11.334 7.032 1.00 0.81 H new ATOM 0 HB3 HIS A 90 9.743 -10.534 6.259 1.00 0.81 H new ATOM 0 HD2 HIS A 90 7.652 -9.739 9.559 1.00 0.98 H new ATOM 0 HE1 HIS A 90 11.774 -9.031 10.269 1.00 1.84 H new ATOM 0 HE2 HIS A 90 9.447 -9.004 11.301 1.00 1.38 H new ATOM 1456 N ASN A 91 6.656 -10.539 4.533 1.00 0.54 N ATOM 1457 CA ASN A 91 6.340 -10.983 3.180 1.00 0.55 C ATOM 1458 C ASN A 91 5.909 -9.808 2.308 1.00 0.46 C ATOM 1459 O ASN A 91 6.491 -9.561 1.251 1.00 0.45 O ATOM 1460 CB ASN A 91 5.235 -12.039 3.212 1.00 0.63 C ATOM 1461 CG ASN A 91 5.693 -13.338 3.845 1.00 1.13 C ATOM 1462 OD1 ASN A 91 5.413 -13.605 5.014 1.00 1.98 O ATOM 1463 ND2 ASN A 91 6.401 -14.155 3.074 1.00 1.60 N ATOM 0 H ASN A 91 6.002 -10.863 5.246 1.00 0.54 H new ATOM 0 HA ASN A 91 7.240 -11.421 2.750 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.381 -11.650 3.766 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.894 -12.234 2.195 1.00 0.63 H new ATOM 0 HD21 ASN A 91 6.736 -15.044 3.445 1.00 1.60 H new ATOM 0 HD22 ASN A 91 6.610 -13.894 2.110 1.00 1.60 H new ATOM 1470 N ALA A 92 4.883 -9.089 2.755 1.00 0.42 N ATOM 1471 CA ALA A 92 4.374 -7.938 2.017 1.00 0.39 C ATOM 1472 C ALA A 92 5.487 -6.938 1.717 1.00 0.36 C ATOM 1473 O ALA A 92 5.478 -6.277 0.679 1.00 0.38 O ATOM 1474 CB ALA A 92 3.255 -7.266 2.799 1.00 0.41 C ATOM 0 H ALA A 92 4.388 -9.284 3.625 1.00 0.42 H new ATOM 0 HA ALA A 92 3.978 -8.294 1.066 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.883 -6.408 2.238 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.443 -7.976 2.956 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.636 -6.931 3.764 1.00 0.41 H new ATOM 1480 N MET A 93 6.442 -6.831 2.636 1.00 0.39 N ATOM 1481 CA MET A 93 7.563 -5.911 2.477 1.00 0.43 C ATOM 1482 C MET A 93 8.367 -6.231 1.219 1.00 0.40 C ATOM 1483 O MET A 93 8.401 -5.439 0.276 1.00 0.39 O ATOM 1484 CB MET A 93 8.473 -5.968 3.704 1.00 0.55 C ATOM 1485 CG MET A 93 8.106 -4.963 4.783 1.00 0.71 C ATOM 1486 SD MET A 93 7.939 -5.723 6.410 1.00 1.06 S ATOM 1487 CE MET A 93 8.621 -4.439 7.455 1.00 1.29 C ATOM 0 H MET A 93 6.462 -7.372 3.501 1.00 0.39 H new ATOM 0 HA MET A 93 7.157 -4.904 2.376 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.436 -6.972 4.127 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.502 -5.792 3.391 1.00 0.55 H new ATOM 0 HG2 MET A 93 8.869 -4.186 4.826 1.00 0.71 H new ATOM 0 HG3 MET A 93 7.169 -4.475 4.516 1.00 0.71 H new ATOM 0 HE1 MET A 93 8.587 -4.761 8.496 1.00 1.29 H new ATOM 0 HE2 MET A 93 9.655 -4.247 7.168 1.00 1.29 H new ATOM 0 HE3 MET A 93 8.037 -3.526 7.338 1.00 1.29 H new ATOM 1497 N ARG A 94 9.013 -7.394 1.214 1.00 0.44 N ATOM 1498 CA ARG A 94 9.825 -7.817 0.075 1.00 0.45 C ATOM 1499 C ARG A 94 8.998 -7.879 -1.206 1.00 0.44 C ATOM 1500 O ARG A 94 9.547 -7.907 -2.307 1.00 0.49 O ATOM 1501 CB ARG A 94 10.461 -9.181 0.352 1.00 0.55 C ATOM 1502 CG ARG A 94 9.460 -10.247 0.764 1.00 1.28 C ATOM 1503 CD ARG A 94 9.789 -11.593 0.137 1.00 1.44 C ATOM 1504 NE ARG A 94 10.333 -12.533 1.113 1.00 1.97 N ATOM 1505 CZ ARG A 94 11.632 -12.782 1.251 1.00 2.47 C ATOM 1506 NH1 ARG A 94 12.516 -12.161 0.481 1.00 2.58 N ATOM 1507 NH2 ARG A 94 12.049 -13.654 2.159 1.00 3.39 N ATOM 0 H ARG A 94 8.990 -8.061 1.986 1.00 0.44 H new ATOM 0 HA ARG A 94 10.612 -7.076 -0.065 1.00 0.45 H new ATOM 0 HB2 ARG A 94 10.988 -9.515 -0.542 1.00 0.55 H new ATOM 0 HB3 ARG A 94 11.207 -9.071 1.139 1.00 0.55 H new ATOM 0 HG2 ARG A 94 9.454 -10.342 1.850 1.00 1.28 H new ATOM 0 HG3 ARG A 94 8.457 -9.941 0.466 1.00 1.28 H new ATOM 0 HD2 ARG A 94 8.888 -12.015 -0.310 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.508 -11.451 -0.670 1.00 1.44 H new ATOM 0 HE ARG A 94 9.681 -13.026 1.723 1.00 1.97 H new ATOM 0 HH11 ARG A 94 12.200 -11.490 -0.219 1.00 2.58 H new ATOM 0 HH12 ARG A 94 13.512 -12.354 0.589 1.00 2.58 H new ATOM 0 HH21 ARG A 94 11.373 -14.135 2.753 1.00 3.39 H new ATOM 0 HH22 ARG A 94 13.046 -13.844 2.264 1.00 3.39 H new ATOM 1521 N LEU A 95 7.676 -7.900 -1.058 1.00 0.44 N ATOM 1522 CA LEU A 95 6.781 -7.962 -2.208 1.00 0.47 C ATOM 1523 C LEU A 95 6.872 -6.686 -3.040 1.00 0.46 C ATOM 1524 O LEU A 95 6.854 -6.734 -4.269 1.00 0.52 O ATOM 1525 CB LEU A 95 5.338 -8.188 -1.750 1.00 0.53 C ATOM 1526 CG LEU A 95 4.663 -9.429 -2.335 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.467 -10.486 -1.259 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.332 -9.061 -2.973 1.00 0.67 C ATOM 0 H LEU A 95 7.202 -7.875 -0.155 1.00 0.44 H new ATOM 0 HA LEU A 95 7.090 -8.801 -2.831 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.325 -8.264 -0.663 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.747 -7.312 -2.015 1.00 0.53 H new ATOM 0 HG LEU A 95 5.311 -9.842 -3.108 1.00 0.55 H new ATOM 0 HD11 LEU A 95 3.985 -11.362 -1.693 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.436 -10.771 -0.848 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.839 -10.084 -0.464 1.00 0.79 H new ATOM 0 HD21 LEU A 95 2.866 -9.956 -3.384 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.676 -8.623 -2.220 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.499 -8.339 -3.772 1.00 0.67 H new ATOM 1540 N ILE A 96 6.967 -5.545 -2.362 1.00 0.43 N ATOM 1541 CA ILE A 96 7.061 -4.259 -3.044 1.00 0.50 C ATOM 1542 C ILE A 96 8.309 -3.494 -2.614 1.00 0.61 C ATOM 1543 O ILE A 96 8.238 -2.317 -2.259 1.00 1.29 O ATOM 1544 CB ILE A 96 5.817 -3.387 -2.783 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.477 -3.372 -1.290 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.635 -3.893 -3.595 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.420 -1.980 -0.700 1.00 0.48 C ATOM 0 H ILE A 96 6.981 -5.486 -1.344 1.00 0.43 H new ATOM 0 HA ILE A 96 7.123 -4.474 -4.111 1.00 0.50 H new ATOM 0 HB ILE A 96 6.038 -2.366 -3.095 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.515 -3.862 -1.139 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.221 -3.957 -0.750 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.765 -3.267 -3.400 1.00 0.76 H new ATOM 0 HG22 ILE A 96 4.879 -3.854 -4.657 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.413 -4.922 -3.312 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.174 -2.044 0.360 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.388 -1.494 -0.819 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.656 -1.398 -1.215 1.00 0.48 H new ATOM 1559 N LYS A 97 9.453 -4.170 -2.650 1.00 0.66 N ATOM 1560 CA LYS A 97 10.718 -3.553 -2.267 1.00 0.66 C ATOM 1561 C LYS A 97 11.433 -2.986 -3.490 1.00 0.82 C ATOM 1562 O LYS A 97 12.129 -1.975 -3.404 1.00 1.43 O ATOM 1563 CB LYS A 97 11.615 -4.568 -1.555 1.00 0.74 C ATOM 1564 CG LYS A 97 11.932 -5.797 -2.390 1.00 1.33 C ATOM 1565 CD LYS A 97 13.383 -5.804 -2.841 1.00 1.77 C ATOM 1566 CE LYS A 97 14.243 -6.678 -1.943 1.00 2.29 C ATOM 1567 NZ LYS A 97 13.996 -8.128 -2.176 1.00 2.85 N ATOM 0 H LYS A 97 9.530 -5.145 -2.940 1.00 0.66 H new ATOM 0 HA LYS A 97 10.503 -2.734 -1.581 1.00 0.66 H new ATOM 0 HB2 LYS A 97 12.548 -4.080 -1.274 1.00 0.74 H new ATOM 0 HB3 LYS A 97 11.130 -4.883 -0.631 1.00 0.74 H new ATOM 0 HG2 LYS A 97 11.726 -6.696 -1.809 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.279 -5.824 -3.262 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.444 -6.165 -3.868 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.771 -4.785 -2.838 1.00 1.77 H new ATOM 0 HE2 LYS A 97 15.295 -6.456 -2.121 1.00 2.29 H new ATOM 0 HE3 LYS A 97 14.038 -6.438 -0.900 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 14.752 -8.685 -1.730 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 13.080 -8.395 -1.763 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 13.983 -8.318 -3.198 1.00 2.85 H new ATOM 1581 N ASP A 98 11.264 -3.651 -4.627 1.00 0.74 N ATOM 1582 CA ASP A 98 11.884 -3.211 -5.871 1.00 0.85 C ATOM 1583 C ASP A 98 11.257 -1.912 -6.376 1.00 0.73 C ATOM 1584 O ASP A 98 11.638 -1.401 -7.429 1.00 0.84 O ATOM 1585 CB ASP A 98 11.756 -4.300 -6.939 1.00 1.04 C ATOM 1586 CG ASP A 98 13.015 -4.447 -7.769 1.00 1.30 C ATOM 1587 OD1 ASP A 98 13.297 -3.545 -8.586 1.00 1.64 O ATOM 1588 OD2 ASP A 98 13.719 -5.466 -7.605 1.00 1.63 O ATOM 0 H ASP A 98 10.702 -4.498 -4.713 1.00 0.74 H new ATOM 0 HA ASP A 98 12.939 -3.024 -5.670 1.00 0.85 H new ATOM 0 HB2 ASP A 98 11.528 -5.251 -6.458 1.00 1.04 H new ATOM 0 HB3 ASP A 98 10.917 -4.065 -7.595 1.00 1.04 H new ATOM 1593 N TYR A 99 10.296 -1.381 -5.622 1.00 0.60 N ATOM 1594 CA TYR A 99 9.616 -0.149 -6.011 1.00 0.64 C ATOM 1595 C TYR A 99 9.978 1.014 -5.087 1.00 0.78 C ATOM 1596 O TYR A 99 9.684 2.169 -5.393 1.00 1.08 O ATOM 1597 CB TYR A 99 8.100 -0.363 -6.015 1.00 0.63 C ATOM 1598 CG TYR A 99 7.648 -1.455 -6.960 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.659 -2.788 -6.567 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.214 -1.154 -8.245 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.251 -3.788 -7.428 1.00 0.92 C ATOM 1602 CE2 TYR A 99 6.802 -2.149 -9.112 1.00 0.84 C ATOM 1603 CZ TYR A 99 6.823 -3.464 -8.699 1.00 0.93 C ATOM 1604 OH TYR A 99 6.418 -4.458 -9.559 1.00 1.13 O ATOM 0 H TYR A 99 9.972 -1.783 -4.742 1.00 0.60 H new ATOM 0 HA TYR A 99 9.949 0.109 -7.016 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.773 -0.609 -5.005 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.610 0.571 -6.290 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.992 -3.046 -5.573 1.00 0.75 H new ATOM 0 HD2 TYR A 99 7.198 -0.125 -8.572 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.267 -4.819 -7.108 1.00 0.92 H new ATOM 0 HE2 TYR A 99 6.466 -1.897 -10.107 1.00 0.84 H new ATOM 0 HH TYR A 99 5.997 -5.181 -9.048 1.00 1.13 H new ATOM 1614 N VAL A 100 10.615 0.709 -3.958 1.00 0.68 N ATOM 1615 CA VAL A 100 11.012 1.749 -3.010 1.00 0.84 C ATOM 1616 C VAL A 100 12.472 2.139 -3.207 1.00 1.12 C ATOM 1617 O VAL A 100 13.204 1.484 -3.949 1.00 1.37 O ATOM 1618 CB VAL A 100 10.798 1.314 -1.545 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.354 1.537 -1.125 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.202 -0.139 -1.344 1.00 0.84 C ATOM 0 H VAL A 100 10.865 -0.240 -3.679 1.00 0.68 H new ATOM 0 HA VAL A 100 10.373 2.609 -3.210 1.00 0.84 H new ATOM 0 HB VAL A 100 11.437 1.930 -0.912 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.224 1.224 -0.089 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.107 2.595 -1.218 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.694 0.952 -1.766 1.00 0.99 H new ATOM 0 HG21 VAL A 100 11.042 -0.421 -0.303 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.599 -0.777 -1.990 1.00 0.84 H new ATOM 0 HG23 VAL A 100 12.256 -0.262 -1.595 1.00 0.84 H new ATOM 1630 N SER A 101 12.888 3.212 -2.539 1.00 1.24 N ATOM 1631 CA SER A 101 14.260 3.699 -2.643 1.00 1.56 C ATOM 1632 C SER A 101 15.264 2.596 -2.322 1.00 1.20 C ATOM 1633 O SER A 101 14.923 1.591 -1.699 1.00 1.50 O ATOM 1634 CB SER A 101 14.474 4.887 -1.703 1.00 2.21 C ATOM 1635 OG SER A 101 13.648 5.980 -2.065 1.00 2.53 O ATOM 0 H SER A 101 12.293 3.761 -1.919 1.00 1.24 H new ATOM 0 HA SER A 101 14.423 4.021 -3.672 1.00 1.56 H new ATOM 0 HB2 SER A 101 14.257 4.587 -0.678 1.00 2.21 H new ATOM 0 HB3 SER A 101 15.520 5.193 -1.731 1.00 2.21 H new ATOM 0 HG SER A 101 13.803 6.725 -1.448 1.00 2.53 H new ATOM 1641 N GLU A 102 16.507 2.794 -2.752 1.00 1.32 N ATOM 1642 CA GLU A 102 17.565 1.821 -2.511 1.00 1.81 C ATOM 1643 C GLU A 102 18.048 1.891 -1.068 1.00 1.95 C ATOM 1644 O GLU A 102 18.868 1.079 -0.637 1.00 2.25 O ATOM 1645 CB GLU A 102 18.736 2.061 -3.466 1.00 2.43 C ATOM 1646 CG GLU A 102 18.539 1.440 -4.839 1.00 3.30 C ATOM 1647 CD GLU A 102 18.413 2.478 -5.936 1.00 3.82 C ATOM 1648 OE1 GLU A 102 17.640 3.442 -5.754 1.00 4.26 O ATOM 1649 OE2 GLU A 102 19.087 2.328 -6.976 1.00 4.07 O ATOM 0 H GLU A 102 16.805 3.621 -3.270 1.00 1.32 H new ATOM 0 HA GLU A 102 17.158 0.826 -2.691 1.00 1.81 H new ATOM 0 HB2 GLU A 102 18.886 3.134 -3.580 1.00 2.43 H new ATOM 0 HB3 GLU A 102 19.645 1.657 -3.021 1.00 2.43 H new ATOM 0 HG2 GLU A 102 19.380 0.783 -5.061 1.00 3.30 H new ATOM 0 HG3 GLU A 102 17.644 0.819 -4.827 1.00 3.30 H new ATOM 1656 N ASP A 103 17.537 2.869 -0.326 1.00 1.90 N ATOM 1657 CA ASP A 103 17.914 3.047 1.072 1.00 2.17 C ATOM 1658 C ASP A 103 17.389 1.899 1.929 1.00 1.97 C ATOM 1659 O ASP A 103 17.687 1.814 3.120 1.00 2.18 O ATOM 1660 CB ASP A 103 17.381 4.379 1.601 1.00 2.39 C ATOM 1661 CG ASP A 103 18.489 5.297 2.077 1.00 2.79 C ATOM 1662 OD1 ASP A 103 19.362 4.828 2.837 1.00 3.15 O ATOM 1663 OD2 ASP A 103 18.485 6.483 1.688 1.00 3.12 O ATOM 0 H ASP A 103 16.860 3.551 -0.670 1.00 1.90 H new ATOM 0 HA ASP A 103 19.002 3.051 1.130 1.00 2.17 H new ATOM 0 HB2 ASP A 103 16.812 4.877 0.816 1.00 2.39 H new ATOM 0 HB3 ASP A 103 16.691 4.190 2.423 1.00 2.39 H new ATOM 1668 N LEU A 104 16.606 1.018 1.315 1.00 1.66 N ATOM 1669 CA LEU A 104 16.042 -0.126 2.021 1.00 1.57 C ATOM 1670 C LEU A 104 17.040 -1.277 2.068 1.00 1.70 C ATOM 1671 O LEU A 104 16.846 -2.250 2.795 1.00 1.91 O ATOM 1672 CB LEU A 104 14.745 -0.587 1.346 1.00 1.43 C ATOM 1673 CG LEU A 104 13.489 0.215 1.708 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.264 0.221 3.213 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.590 1.638 1.176 1.00 1.73 C ATOM 0 H LEU A 104 16.348 1.075 0.330 1.00 1.66 H new ATOM 0 HA LEU A 104 15.818 0.184 3.042 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.883 -0.544 0.266 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.574 -1.632 1.604 1.00 1.43 H new ATOM 0 HG LEU A 104 12.632 -0.268 1.239 1.00 1.27 H new ATOM 0 HD11 LEU A 104 12.367 0.796 3.445 1.00 1.68 H new ATOM 0 HD12 LEU A 104 13.140 -0.803 3.566 1.00 1.68 H new ATOM 0 HD13 LEU A 104 14.123 0.674 3.708 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.689 2.191 1.443 1.00 1.73 H new ATOM 0 HD22 LEU A 104 14.460 2.129 1.612 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.693 1.614 0.091 1.00 1.73 H new ATOM 1687 N HIS A 105 18.109 -1.157 1.285 1.00 1.83 N ATOM 1688 CA HIS A 105 19.143 -2.185 1.240 1.00 2.15 C ATOM 1689 C HIS A 105 19.892 -2.257 2.566 1.00 2.44 C ATOM 1690 O HIS A 105 20.950 -1.646 2.727 1.00 2.79 O ATOM 1691 CB HIS A 105 20.122 -1.906 0.097 1.00 2.42 C ATOM 1692 CG HIS A 105 19.756 -2.590 -1.184 1.00 2.36 C ATOM 1693 ND1 HIS A 105 20.663 -3.298 -1.945 1.00 2.91 N ATOM 1694 CD2 HIS A 105 18.572 -2.675 -1.836 1.00 2.29 C ATOM 1695 CE1 HIS A 105 20.052 -3.786 -3.011 1.00 3.15 C ATOM 1696 NE2 HIS A 105 18.784 -3.423 -2.967 1.00 2.81 N ATOM 0 H HIS A 105 18.281 -0.359 0.674 1.00 1.83 H new ATOM 0 HA HIS A 105 18.660 -3.146 1.064 1.00 2.15 H new ATOM 0 HB2 HIS A 105 20.170 -0.831 -0.075 1.00 2.42 H new ATOM 0 HB3 HIS A 105 21.120 -2.225 0.398 1.00 2.42 H new ATOM 0 HD2 HIS A 105 17.636 -2.236 -1.524 1.00 2.29 H new ATOM 0 HE1 HIS A 105 20.512 -4.381 -3.786 1.00 3.15 H new ATOM 0 HE2 HIS A 105 18.076 -3.660 -3.662 1.00 2.81 H new ATOM 1705 N LYS A 106 19.335 -3.005 3.513 1.00 2.38 N ATOM 1706 CA LYS A 106 19.943 -3.155 4.829 1.00 2.72 C ATOM 1707 C LYS A 106 19.273 -4.277 5.616 1.00 2.73 C ATOM 1708 O LYS A 106 19.940 -5.047 6.308 1.00 3.11 O ATOM 1709 CB LYS A 106 19.844 -1.843 5.610 1.00 2.83 C ATOM 1710 CG LYS A 106 18.505 -1.139 5.454 1.00 2.56 C ATOM 1711 CD LYS A 106 17.898 -0.789 6.803 1.00 2.86 C ATOM 1712 CE LYS A 106 17.740 0.713 6.972 1.00 3.00 C ATOM 1713 NZ LYS A 106 16.337 1.092 7.291 1.00 3.43 N ATOM 0 H LYS A 106 18.461 -3.518 3.392 1.00 2.38 H new ATOM 0 HA LYS A 106 20.993 -3.411 4.688 1.00 2.72 H new ATOM 0 HB2 LYS A 106 20.017 -2.046 6.667 1.00 2.83 H new ATOM 0 HB3 LYS A 106 20.638 -1.173 5.280 1.00 2.83 H new ATOM 0 HG2 LYS A 106 18.637 -0.230 4.867 1.00 2.56 H new ATOM 0 HG3 LYS A 106 17.819 -1.780 4.900 1.00 2.56 H new ATOM 0 HD2 LYS A 106 16.925 -1.271 6.901 1.00 2.86 H new ATOM 0 HD3 LYS A 106 18.530 -1.181 7.600 1.00 2.86 H new ATOM 0 HE2 LYS A 106 18.399 1.060 7.768 1.00 3.00 H new ATOM 0 HE3 LYS A 106 18.053 1.216 6.057 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 16.272 2.124 7.398 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 15.710 0.784 6.520 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 16.046 0.633 8.178 1.00 3.43 H new ATOM 1727 N TYR A 107 17.951 -4.363 5.505 1.00 2.40 N ATOM 1728 CA TYR A 107 17.188 -5.388 6.206 1.00 2.46 C ATOM 1729 C TYR A 107 17.046 -6.629 5.337 1.00 2.35 C ATOM 1730 O TYR A 107 16.908 -7.745 5.840 1.00 2.42 O ATOM 1731 CB TYR A 107 15.804 -4.851 6.592 1.00 2.46 C ATOM 1732 CG TYR A 107 14.831 -4.783 5.432 1.00 2.20 C ATOM 1733 CD1 TYR A 107 14.755 -3.652 4.627 1.00 2.03 C ATOM 1734 CD2 TYR A 107 13.990 -5.851 5.143 1.00 2.20 C ATOM 1735 CE1 TYR A 107 13.870 -3.589 3.567 1.00 1.88 C ATOM 1736 CE2 TYR A 107 13.104 -5.796 4.085 1.00 2.07 C ATOM 1737 CZ TYR A 107 13.048 -4.664 3.301 1.00 1.92 C ATOM 1738 OH TYR A 107 12.166 -4.605 2.246 1.00 1.91 O ATOM 0 H TYR A 107 17.386 -3.734 4.935 1.00 2.40 H new ATOM 0 HA TYR A 107 17.724 -5.658 7.116 1.00 2.46 H new ATOM 0 HB2 TYR A 107 15.382 -5.486 7.371 1.00 2.46 H new ATOM 0 HB3 TYR A 107 15.917 -3.854 7.019 1.00 2.46 H new ATOM 0 HD1 TYR A 107 15.398 -2.809 4.833 1.00 2.03 H new ATOM 0 HD2 TYR A 107 14.030 -6.739 5.756 1.00 2.20 H new ATOM 0 HE1 TYR A 107 13.823 -2.703 2.951 1.00 1.88 H new ATOM 0 HE2 TYR A 107 12.459 -6.636 3.873 1.00 2.07 H new ATOM 0 HH TYR A 107 11.661 -5.443 2.194 1.00 1.91 H new ATOM 1748 N ILE A 108 17.078 -6.415 4.026 1.00 2.27 N ATOM 1749 CA ILE A 108 16.951 -7.498 3.063 1.00 2.27 C ATOM 1750 C ILE A 108 17.952 -8.619 3.353 1.00 2.49 C ATOM 1751 O ILE A 108 19.153 -8.370 3.459 1.00 2.67 O ATOM 1752 CB ILE A 108 17.167 -6.984 1.626 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.053 -6.010 1.239 1.00 2.08 C ATOM 1754 CG2 ILE A 108 17.226 -8.144 0.646 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.563 -4.670 0.760 1.00 1.86 C ATOM 0 H ILE A 108 17.192 -5.493 3.605 1.00 2.27 H new ATOM 0 HA ILE A 108 15.940 -7.894 3.156 1.00 2.27 H new ATOM 0 HB ILE A 108 18.120 -6.456 1.586 1.00 2.29 H new ATOM 0 HG12 ILE A 108 15.444 -6.460 0.455 1.00 2.08 H new ATOM 0 HG13 ILE A 108 15.401 -5.856 2.099 1.00 2.08 H new ATOM 0 HG21 ILE A 108 17.379 -7.761 -0.363 1.00 2.59 H new ATOM 0 HG22 ILE A 108 18.052 -8.804 0.912 1.00 2.59 H new ATOM 0 HG23 ILE A 108 16.290 -8.701 0.684 1.00 2.59 H new ATOM 0 HD11 ILE A 108 15.719 -4.030 0.503 1.00 1.86 H new ATOM 0 HD12 ILE A 108 17.147 -4.199 1.551 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.191 -4.813 -0.119 1.00 1.86 H new ATOM 1767 N PRO A 109 17.472 -9.871 3.486 1.00 2.54 N ATOM 1768 CA PRO A 109 18.340 -11.022 3.763 1.00 2.77 C ATOM 1769 C PRO A 109 19.347 -11.266 2.644 1.00 3.02 C ATOM 1770 O PRO A 109 18.994 -11.238 1.464 1.00 3.11 O ATOM 1771 CB PRO A 109 17.367 -12.204 3.872 1.00 2.80 C ATOM 1772 CG PRO A 109 16.025 -11.591 4.086 1.00 2.70 C ATOM 1773 CD PRO A 109 16.056 -10.268 3.380 1.00 2.48 C ATOM 0 HA PRO A 109 18.937 -10.868 4.662 1.00 2.77 H new ATOM 0 HB2 PRO A 109 17.382 -12.811 2.967 1.00 2.80 H new ATOM 0 HB3 PRO A 109 17.636 -12.860 4.700 1.00 2.80 H new ATOM 0 HG2 PRO A 109 15.237 -12.228 3.685 1.00 2.70 H new ATOM 0 HG3 PRO A 109 15.821 -11.461 5.149 1.00 2.70 H new ATOM 0 HD2 PRO A 109 15.738 -10.357 2.341 1.00 2.48 H new ATOM 0 HD3 PRO A 109 15.396 -9.541 3.854 1.00 2.48 H new ATOM 1781 N ARG A 110 20.600 -11.508 3.023 1.00 3.26 N ATOM 1782 CA ARG A 110 21.665 -11.755 2.055 1.00 3.61 C ATOM 1783 C ARG A 110 21.737 -10.632 1.024 1.00 3.87 C ATOM 1784 O ARG A 110 22.270 -9.554 1.362 1.00 4.38 O ATOM 1785 CB ARG A 110 21.449 -13.099 1.354 1.00 4.21 C ATOM 1786 CG ARG A 110 21.523 -14.295 2.291 1.00 4.62 C ATOM 1787 CD ARG A 110 21.853 -15.572 1.537 1.00 5.34 C ATOM 1788 NE ARG A 110 21.833 -16.745 2.408 1.00 5.83 N ATOM 1789 CZ ARG A 110 20.762 -17.514 2.585 1.00 6.55 C ATOM 1790 NH1 ARG A 110 19.629 -17.235 1.955 1.00 6.84 N ATOM 1791 NH2 ARG A 110 20.827 -18.564 3.393 1.00 7.27 N ATOM 1792 OXT ARG A 110 21.262 -10.839 -0.112 1.00 4.05 O ATOM 0 H ARG A 110 20.903 -11.538 3.997 1.00 3.26 H new ATOM 0 HA ARG A 110 22.611 -11.786 2.596 1.00 3.61 H new ATOM 0 HB2 ARG A 110 20.475 -13.091 0.865 1.00 4.21 H new ATOM 0 HB3 ARG A 110 22.198 -13.215 0.571 1.00 4.21 H new ATOM 0 HG2 ARG A 110 22.281 -14.115 3.054 1.00 4.62 H new ATOM 0 HG3 ARG A 110 20.571 -14.412 2.809 1.00 4.62 H new ATOM 0 HD2 ARG A 110 21.136 -15.710 0.727 1.00 5.34 H new ATOM 0 HD3 ARG A 110 22.838 -15.478 1.079 1.00 5.34 H new ATOM 0 HE ARG A 110 22.688 -16.988 2.908 1.00 5.83 H new ATOM 0 HH11 ARG A 110 19.577 -16.429 1.332 1.00 6.84 H new ATOM 0 HH12 ARG A 110 18.810 -17.827 2.093 1.00 6.84 H new ATOM 0 HH21 ARG A 110 21.698 -18.781 3.878 1.00 7.27 H new ATOM 0 HH22 ARG A 110 20.006 -19.154 3.529 1.00 7.27 H new TER 1806 ARG A 110