USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 CYS SG : rot 47:sc= 0.933 USER MOD Set 1.2: A 91 HIS : no HD1:sc= 0.317 K(o=2.2,f=-7!) USER MOD Set 1.3: A 116 THR OG1 : rot 161:sc= 0.91 USER MOD Set 2.1: A 108 GLN : amide:sc= 1.63 K(o=1.7,f=0.95) USER MOD Set 2.2: A 110 HIS : no HD1:sc= 0.102 K(o=1.7,f=-4.4!) USER MOD Set 3.1: A 40 TYR OH : rot 48:sc= 0.895 USER MOD Set 3.2: A 89 MET CE :methyl -110:sc= -0.255 (180deg=-1.36) USER MOD Set 4.1: A 82 HIS : no HE2:sc= 0.615 K(o=1.9,f=-5.3!) USER MOD Set 4.2: A 88 SER OG : rot -165:sc= 1.3 USER MOD Set 5.1: A 55 GLN : amide:sc= 0.904 K(o=2.6,f=-0.1) USER MOD Set 5.2: A 100 GLN : amide:sc= 1.67 K(o=2.6,f=-1.2) USER MOD Set 6.1: A 54 SER OG : rot -146:sc= 0.495 USER MOD Set 6.2: A 105 HIS : no HD1:sc= 0.396 K(o=0.89,f=-12!) USER MOD Set 7.1: A 30 ASN : amide:sc= 0.841 K(o=1.7,f=0.55) USER MOD Set 7.2: A 69 TYR OH : rot -150:sc= 0.898 USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 0.841 (180deg=0.738) USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 0.9 (180deg=0.899) USER MOD Single : A 6 TYR OH : rot 165:sc= -0.224 USER MOD Single : A 9 MET CE :methyl 177:sc= -0.546 (180deg=-0.589) USER MOD Single : A 11 ASN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0441 K(o=-0.044,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot -100:sc= -0.48 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0564 K(o=-0.056,f=-1.5!) USER MOD Single : A 41 ASN : amide:sc= 0.557 K(o=0.56,f=-4.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= 0.211 K(o=0.21,f=-1.9!) USER MOD Single : A 58 CYS SG : rot 61:sc= 1.19 USER MOD Single : A 62 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.3) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 90:sc= 1.09 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.44) USER MOD Single : A 78 ASN : amide:sc= -0.0583 K(o=-0.058,f=-1.4!) USER MOD Single : A 80 HIS : no HD1:sc=-0.00174 K(o=-0.0017,f=-6.9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 87 MET CE :methyl -110:sc= -0.285 (180deg=-0.897) USER MOD Single : A 96 THR OG1 : rot -60:sc= 1.41 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 99 CYS SG : rot 70:sc= 1.4 USER MOD Single : A 115 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-1.5) USER MOD Single : A 120 GLN : amide:sc= 0.854 K(o=0.85,f=-1.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -144:sc= -0.138 (180deg=-0.749) USER MOD Single : A 130 THR OG1 : rot -74:sc= 1.19 USER MOD Single : A 131 MET CE :methyl -164:sc=-0.00094 (180deg=-0.194) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.464 K(o=-0.46,f=-2!) USER MOD Single : A 137 MET CE :methyl -179:sc= -1.4 (180deg=-1.41) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -4.215 -0.094 -14.119 1.00 0.00 N ATOM 19 CA ALA A 2 -4.400 -0.185 -12.676 1.00 0.00 C ATOM 20 C ALA A 2 -3.123 0.182 -11.931 1.00 0.00 C ATOM 21 O ALA A 2 -2.018 -0.090 -12.403 1.00 0.00 O ATOM 22 CB ALA A 2 -4.854 -1.585 -12.288 1.00 0.00 C ATOM 0 HA ALA A 2 -5.173 0.529 -12.391 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.988 -1.638 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.799 -1.811 -12.782 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.101 -2.310 -12.596 1.00 0.00 H new ATOM 28 N LYS A 3 -3.280 0.802 -10.767 1.00 0.00 N ATOM 29 CA LYS A 3 -2.139 1.246 -9.976 1.00 0.00 C ATOM 30 C LYS A 3 -1.682 0.163 -9.008 1.00 0.00 C ATOM 31 O LYS A 3 -2.501 -0.531 -8.407 1.00 0.00 O ATOM 32 CB LYS A 3 -2.484 2.524 -9.210 1.00 0.00 C ATOM 33 CG LYS A 3 -2.758 3.734 -10.093 1.00 0.00 C ATOM 34 CD LYS A 3 -3.024 4.979 -9.260 1.00 0.00 C ATOM 35 CE LYS A 3 -3.092 6.224 -10.131 1.00 0.00 C ATOM 36 NZ LYS A 3 -1.760 6.587 -10.688 1.00 0.00 N ATOM 0 H LYS A 3 -4.188 1.009 -10.350 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.319 1.455 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.361 2.336 -8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.662 2.761 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.905 3.908 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.617 3.532 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.961 4.862 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.236 5.096 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.794 6.057 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.479 7.057 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.822 7.511 -11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.064 6.639 -9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.463 5.865 -11.375 1.00 0.00 H new ATOM 50 N LYS A 4 -0.369 0.021 -8.863 1.00 0.00 N ATOM 51 CA LYS A 4 0.199 -0.883 -7.871 1.00 0.00 C ATOM 52 C LYS A 4 1.540 -0.370 -7.362 1.00 0.00 C ATOM 53 O LYS A 4 2.127 0.543 -7.942 1.00 0.00 O ATOM 54 CB LYS A 4 0.361 -2.287 -8.456 1.00 0.00 C ATOM 55 CG LYS A 4 1.379 -2.385 -9.584 1.00 0.00 C ATOM 56 CD LYS A 4 1.477 -3.805 -10.120 1.00 0.00 C ATOM 57 CE LYS A 4 2.502 -3.907 -11.240 1.00 0.00 C ATOM 58 NZ LYS A 4 2.660 -5.305 -11.725 1.00 0.00 N ATOM 0 H LYS A 4 0.323 0.522 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.491 -0.928 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.655 -2.968 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.606 -2.627 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.097 -1.708 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.356 -2.062 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.751 -4.482 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.502 -4.125 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.198 -3.268 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.464 -3.535 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.355 -5.328 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.991 -5.908 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.745 -5.658 -12.071 1.00 0.00 H new ATOM 72 N GLY A 5 2.019 -0.963 -6.274 1.00 0.00 N ATOM 73 CA GLY A 5 3.264 -0.529 -5.650 1.00 0.00 C ATOM 74 C GLY A 5 4.096 -1.721 -5.193 1.00 0.00 C ATOM 75 O GLY A 5 3.600 -2.845 -5.121 1.00 0.00 O ATOM 0 H GLY A 5 1.564 -1.746 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.839 0.069 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.042 0.112 -4.796 1.00 0.00 H new ATOM 79 N TYR A 6 5.363 -1.468 -4.885 1.00 0.00 N ATOM 80 CA TYR A 6 6.267 -2.520 -4.437 1.00 0.00 C ATOM 81 C TYR A 6 7.170 -2.028 -3.312 1.00 0.00 C ATOM 82 O TYR A 6 7.934 -1.080 -3.486 1.00 0.00 O ATOM 83 CB TYR A 6 7.110 -3.036 -5.605 1.00 0.00 C ATOM 84 CG TYR A 6 8.196 -4.005 -5.193 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.863 -5.289 -4.784 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.525 -3.611 -5.223 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.855 -6.174 -4.407 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.517 -4.496 -4.847 1.00 0.00 C ATOM 89 CZ TYR A 6 10.185 -5.772 -4.440 1.00 0.00 C ATOM 90 OH TYR A 6 11.173 -6.654 -4.066 1.00 0.00 O ATOM 0 H TYR A 6 5.788 -0.542 -4.938 1.00 0.00 H new ATOM 0 HA TYR A 6 5.661 -3.340 -4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.455 -3.525 -6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.567 -2.187 -6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.828 -5.596 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.785 -2.612 -5.540 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.598 -7.173 -4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.552 -4.189 -4.872 1.00 0.00 H new ATOM 0 HH TYR A 6 12.043 -6.317 -4.367 1.00 0.00 H new ATOM 100 N ILE A 7 7.076 -2.679 -2.157 1.00 0.00 N ATOM 101 CA ILE A 7 7.950 -2.373 -1.032 1.00 0.00 C ATOM 102 C ILE A 7 9.193 -3.253 -1.044 1.00 0.00 C ATOM 103 O ILE A 7 9.096 -4.480 -1.084 1.00 0.00 O ATOM 104 CB ILE A 7 7.208 -2.550 0.306 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.083 -1.520 0.432 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.177 -2.432 1.472 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.170 -1.756 1.613 1.00 0.00 C ATOM 0 H ILE A 7 6.402 -3.423 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 7 8.256 -1.332 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 7 6.766 -3.546 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.521 -0.526 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.489 -1.530 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.636 -2.560 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.943 -3.203 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.648 -1.449 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.398 -0.986 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.702 -2.736 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.750 -1.716 2.535 1.00 0.00 H new ATOM 119 N LEU A 8 10.362 -2.621 -1.010 1.00 0.00 N ATOM 120 CA LEU A 8 11.617 -3.339 -0.827 1.00 0.00 C ATOM 121 C LEU A 8 12.235 -3.029 0.531 1.00 0.00 C ATOM 122 O LEU A 8 12.539 -1.877 0.837 1.00 0.00 O ATOM 123 CB LEU A 8 12.605 -2.973 -1.941 1.00 0.00 C ATOM 124 CG LEU A 8 13.987 -3.632 -1.847 1.00 0.00 C ATOM 125 CD1 LEU A 8 13.840 -5.141 -1.988 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.893 -3.067 -2.931 1.00 0.00 C ATOM 0 H LEU A 8 10.466 -1.611 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 8 11.401 -4.407 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.159 -3.241 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.738 -1.891 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 8 14.437 -3.419 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.822 -5.610 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.202 -5.520 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.391 -5.374 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.875 -3.535 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.459 -3.271 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.994 -1.990 -2.796 1.00 0.00 H new ATOM 138 N MET A 9 12.417 -4.066 1.343 1.00 0.00 N ATOM 139 CA MET A 9 12.973 -3.902 2.680 1.00 0.00 C ATOM 140 C MET A 9 14.491 -4.028 2.665 1.00 0.00 C ATOM 141 O MET A 9 15.061 -4.684 1.792 1.00 0.00 O ATOM 142 CB MET A 9 12.363 -4.927 3.634 1.00 0.00 C ATOM 143 CG MET A 9 10.842 -4.906 3.693 1.00 0.00 C ATOM 144 SD MET A 9 10.192 -3.339 4.305 1.00 0.00 S ATOM 145 CE MET A 9 10.677 -3.421 6.026 1.00 0.00 C ATOM 0 H MET A 9 12.187 -5.029 1.097 1.00 0.00 H new ATOM 0 HA MET A 9 12.724 -2.900 3.030 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.689 -5.923 3.334 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.756 -4.751 4.636 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.441 -5.097 2.698 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.496 -5.715 4.337 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.392 -2.497 6.529 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.178 -4.263 6.505 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.757 -3.553 6.094 1.00 0.00 H new ATOM 155 N GLU A 10 15.142 -3.398 3.637 1.00 0.00 N ATOM 156 CA GLU A 10 16.596 -3.434 3.734 1.00 0.00 C ATOM 157 C GLU A 10 17.102 -4.860 3.903 1.00 0.00 C ATOM 158 O GLU A 10 18.225 -5.182 3.514 1.00 0.00 O ATOM 159 CB GLU A 10 17.074 -2.571 4.905 1.00 0.00 C ATOM 160 CG GLU A 10 16.977 -1.072 4.661 1.00 0.00 C ATOM 161 CD GLU A 10 18.003 -0.571 3.682 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.848 -1.339 3.292 1.00 0.00 O ATOM 163 OE2 GLU A 10 17.941 0.583 3.326 1.00 0.00 O ATOM 0 H GLU A 10 14.685 -2.856 4.370 1.00 0.00 H new ATOM 0 HA GLU A 10 17.001 -3.034 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.487 -2.822 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.110 -2.824 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.981 -0.833 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.099 -0.546 5.608 1.00 0.00 H new ATOM 170 N ASN A 11 16.266 -5.714 4.486 1.00 0.00 N ATOM 171 CA ASN A 11 16.646 -7.095 4.756 1.00 0.00 C ATOM 172 C ASN A 11 16.231 -8.013 3.612 1.00 0.00 C ATOM 173 O ASN A 11 16.176 -9.232 3.772 1.00 0.00 O ATOM 174 CB ASN A 11 16.045 -7.568 6.066 1.00 0.00 C ATOM 175 CG ASN A 11 16.669 -6.904 7.261 1.00 0.00 C ATOM 176 OD1 ASN A 11 17.846 -7.129 7.568 1.00 0.00 O ATOM 177 ND2 ASN A 11 15.905 -6.090 7.942 1.00 0.00 N ATOM 0 H ASN A 11 15.320 -5.473 4.781 1.00 0.00 H new ATOM 0 HA ASN A 11 17.732 -7.134 4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.973 -7.369 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.168 -8.648 6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.275 -5.611 8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.940 -5.934 7.652 1.00 0.00 H new ATOM 184 N GLY A 12 15.939 -7.420 2.460 1.00 0.00 N ATOM 185 CA GLY A 12 15.666 -8.188 1.251 1.00 0.00 C ATOM 186 C GLY A 12 14.196 -8.582 1.169 1.00 0.00 C ATOM 187 O GLY A 12 13.812 -9.418 0.352 1.00 0.00 O ATOM 0 H GLY A 12 15.885 -6.409 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.937 -7.600 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.287 -9.084 1.238 1.00 0.00 H new ATOM 191 N GLY A 13 13.378 -7.973 2.021 1.00 0.00 N ATOM 192 CA GLY A 13 11.945 -8.242 2.031 1.00 0.00 C ATOM 193 C GLY A 13 11.289 -7.774 0.738 1.00 0.00 C ATOM 194 O GLY A 13 11.583 -6.689 0.239 1.00 0.00 O ATOM 0 H GLY A 13 13.683 -7.289 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.774 -9.310 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.483 -7.738 2.880 1.00 0.00 H new ATOM 198 N LYS A 14 10.397 -8.602 0.201 1.00 0.00 N ATOM 199 CA LYS A 14 9.761 -8.314 -1.079 1.00 0.00 C ATOM 200 C LYS A 14 8.242 -8.323 -0.953 1.00 0.00 C ATOM 201 O LYS A 14 7.609 -9.375 -1.031 1.00 0.00 O ATOM 202 CB LYS A 14 10.206 -9.325 -2.137 1.00 0.00 C ATOM 203 CG LYS A 14 11.706 -9.340 -2.401 1.00 0.00 C ATOM 204 CD LYS A 14 12.046 -10.195 -3.612 1.00 0.00 C ATOM 205 CE LYS A 14 13.544 -10.216 -3.873 1.00 0.00 C ATOM 206 NZ LYS A 14 13.895 -11.076 -5.037 1.00 0.00 N ATOM 0 H LYS A 14 10.099 -9.477 0.633 1.00 0.00 H new ATOM 0 HA LYS A 14 10.072 -7.316 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.895 -10.321 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.687 -9.108 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.059 -8.321 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.228 -9.724 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.688 -11.212 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.528 -9.808 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.895 -9.200 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.062 -10.579 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.925 -11.063 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.584 -12.051 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.422 -10.716 -5.890 1.00 0.00 H new ATOM 220 N ILE A 15 7.664 -7.143 -0.756 1.00 0.00 N ATOM 221 CA ILE A 15 6.231 -7.024 -0.514 1.00 0.00 C ATOM 222 C ILE A 15 5.545 -6.255 -1.637 1.00 0.00 C ATOM 223 O ILE A 15 5.661 -5.033 -1.727 1.00 0.00 O ATOM 224 CB ILE A 15 5.958 -6.323 0.829 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.592 -7.110 1.980 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.461 -6.162 1.051 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.637 -6.351 3.287 1.00 0.00 C ATOM 0 H ILE A 15 8.166 -6.255 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 15 5.822 -8.034 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 15 6.409 -5.331 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.033 -8.034 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.607 -7.392 1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.286 -5.665 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.036 -5.562 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.987 -7.144 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.099 -6.973 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.221 -5.440 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.623 -6.092 3.593 1.00 0.00 H new ATOM 239 N GLU A 16 4.830 -6.979 -2.491 1.00 0.00 N ATOM 240 CA GLU A 16 4.151 -6.371 -3.629 1.00 0.00 C ATOM 241 C GLU A 16 2.654 -6.246 -3.375 1.00 0.00 C ATOM 242 O GLU A 16 2.014 -7.188 -2.909 1.00 0.00 O ATOM 243 CB GLU A 16 4.397 -7.193 -4.897 1.00 0.00 C ATOM 244 CG GLU A 16 3.860 -6.557 -6.172 1.00 0.00 C ATOM 245 CD GLU A 16 4.158 -7.368 -7.401 1.00 0.00 C ATOM 246 OE1 GLU A 16 5.308 -7.650 -7.639 1.00 0.00 O ATOM 247 OE2 GLU A 16 3.235 -7.707 -8.103 1.00 0.00 O ATOM 0 H GLU A 16 4.706 -7.989 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 16 4.560 -5.370 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.469 -7.354 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.939 -8.174 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.782 -6.428 -6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.292 -5.563 -6.286 1.00 0.00 H new ATOM 254 N PHE A 17 2.102 -5.079 -3.686 1.00 0.00 N ATOM 255 CA PHE A 17 0.720 -4.769 -3.342 1.00 0.00 C ATOM 256 C PHE A 17 0.049 -3.951 -4.438 1.00 0.00 C ATOM 257 O PHE A 17 0.721 -3.312 -5.248 1.00 0.00 O ATOM 258 CB PHE A 17 0.656 -4.006 -2.019 1.00 0.00 C ATOM 259 CG PHE A 17 1.274 -2.638 -2.076 1.00 0.00 C ATOM 260 CD1 PHE A 17 2.643 -2.472 -1.926 1.00 0.00 C ATOM 261 CD2 PHE A 17 0.489 -1.515 -2.284 1.00 0.00 C ATOM 262 CE1 PHE A 17 3.213 -1.215 -1.978 1.00 0.00 C ATOM 263 CE2 PHE A 17 1.056 -0.255 -2.339 1.00 0.00 C ATOM 264 CZ PHE A 17 2.418 -0.105 -2.185 1.00 0.00 C ATOM 0 H PHE A 17 2.592 -4.331 -4.177 1.00 0.00 H new ATOM 0 HA PHE A 17 0.186 -5.713 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.387 -3.911 -1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.160 -4.590 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.271 -3.336 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.579 -1.625 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.280 -1.100 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.432 0.611 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.862 0.879 -2.226 1.00 0.00 H new ATOM 274 N GLU A 18 -1.279 -3.974 -4.459 1.00 0.00 N ATOM 275 CA GLU A 18 -2.044 -3.205 -5.432 1.00 0.00 C ATOM 276 C GLU A 18 -2.670 -1.972 -4.791 1.00 0.00 C ATOM 277 O GLU A 18 -2.857 -1.921 -3.576 1.00 0.00 O ATOM 278 CB GLU A 18 -3.135 -4.074 -6.062 1.00 0.00 C ATOM 279 CG GLU A 18 -2.612 -5.218 -6.917 1.00 0.00 C ATOM 280 CD GLU A 18 -3.710 -6.023 -7.554 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.855 -5.720 -7.319 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.404 -6.941 -8.277 1.00 0.00 O ATOM 0 H GLU A 18 -1.849 -4.518 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.356 -2.875 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.758 -4.485 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.777 -3.442 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.965 -4.816 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.998 -5.875 -6.300 1.00 0.00 H new ATOM 289 N LEU A 19 -2.991 -0.982 -5.616 1.00 0.00 N ATOM 290 CA LEU A 19 -3.635 0.236 -5.136 1.00 0.00 C ATOM 291 C LEU A 19 -5.083 0.312 -5.601 1.00 0.00 C ATOM 292 O LEU A 19 -5.425 -0.163 -6.683 1.00 0.00 O ATOM 293 CB LEU A 19 -2.868 1.470 -5.628 1.00 0.00 C ATOM 294 CG LEU A 19 -1.475 1.674 -5.019 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.749 2.781 -5.770 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.612 2.014 -3.542 1.00 0.00 C ATOM 0 H LEU A 19 -2.816 -0.998 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.624 0.214 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.765 1.403 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.469 2.355 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.891 0.758 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.241 2.926 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.649 2.504 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.318 3.707 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.622 2.159 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.194 2.929 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.118 1.198 -3.026 1.00 0.00 H new ATOM 308 N PHE A 20 -5.934 0.915 -4.775 1.00 0.00 N ATOM 309 CA PHE A 20 -7.359 0.999 -5.070 1.00 0.00 C ATOM 310 C PHE A 20 -7.878 2.418 -4.879 1.00 0.00 C ATOM 311 O PHE A 20 -8.430 2.752 -3.830 1.00 0.00 O ATOM 312 CB PHE A 20 -8.147 0.038 -4.178 1.00 0.00 C ATOM 313 CG PHE A 20 -7.721 -1.397 -4.308 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.111 -2.155 -5.401 1.00 0.00 C ATOM 315 CD2 PHE A 20 -6.928 -1.991 -3.336 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.721 -3.475 -5.522 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.536 -3.311 -3.455 1.00 0.00 C ATOM 318 CZ PHE A 20 -6.933 -4.053 -4.547 1.00 0.00 C ATOM 0 H PHE A 20 -5.660 1.353 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.498 0.717 -6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.036 0.348 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.206 0.116 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.727 -1.708 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.614 -1.416 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.032 -4.054 -6.379 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.918 -3.761 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.628 -5.085 -4.640 1.00 0.00 H new ATOM 328 N PRO A 21 -7.698 3.251 -5.899 1.00 0.00 N ATOM 329 CA PRO A 21 -8.157 4.633 -5.849 1.00 0.00 C ATOM 330 C PRO A 21 -9.678 4.707 -5.806 1.00 0.00 C ATOM 331 O PRO A 21 -10.250 5.752 -5.496 1.00 0.00 O ATOM 332 CB PRO A 21 -7.600 5.228 -7.146 1.00 0.00 C ATOM 333 CG PRO A 21 -7.442 4.054 -8.050 1.00 0.00 C ATOM 334 CD PRO A 21 -6.991 2.940 -7.142 1.00 0.00 C ATOM 0 HA PRO A 21 -7.823 5.167 -4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.280 5.967 -7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.648 5.731 -6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.380 3.806 -8.547 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.709 4.251 -8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.265 1.960 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.910 2.938 -7.006 1.00 0.00 H new ATOM 342 N ASN A 22 -10.329 3.591 -6.119 1.00 0.00 N ATOM 343 CA ASN A 22 -11.777 3.487 -5.989 1.00 0.00 C ATOM 344 C ASN A 22 -12.203 3.531 -4.526 1.00 0.00 C ATOM 345 O ASN A 22 -13.303 3.979 -4.204 1.00 0.00 O ATOM 346 CB ASN A 22 -12.283 2.222 -6.655 1.00 0.00 C ATOM 347 CG ASN A 22 -12.238 2.300 -8.156 1.00 0.00 C ATOM 348 OD1 ASN A 22 -12.206 3.394 -8.732 1.00 0.00 O ATOM 349 ND2 ASN A 22 -12.233 1.161 -8.800 1.00 0.00 N ATOM 0 H ASN A 22 -9.875 2.745 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.222 4.345 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.683 1.375 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.308 2.033 -6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.202 1.152 -9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.260 0.282 -8.283 1.00 0.00 H new ATOM 356 N GLU A 23 -11.326 3.062 -3.645 1.00 0.00 N ATOM 357 CA GLU A 23 -11.583 3.105 -2.211 1.00 0.00 C ATOM 358 C GLU A 23 -11.320 4.495 -1.646 1.00 0.00 C ATOM 359 O GLU A 23 -12.032 4.958 -0.755 1.00 0.00 O ATOM 360 CB GLU A 23 -10.717 2.075 -1.483 1.00 0.00 C ATOM 361 CG GLU A 23 -11.083 0.627 -1.773 1.00 0.00 C ATOM 362 CD GLU A 23 -10.093 -0.352 -1.205 1.00 0.00 C ATOM 363 OE1 GLU A 23 -9.080 0.077 -0.708 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.350 -1.531 -1.271 1.00 0.00 O ATOM 0 H GLU A 23 -10.430 2.647 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.634 2.864 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.675 2.235 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.793 2.248 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.070 0.418 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.150 0.484 -2.851 1.00 0.00 H new ATOM 371 N ALA A 24 -10.293 5.156 -2.169 1.00 0.00 N ATOM 372 CA ALA A 24 -9.956 6.509 -1.743 1.00 0.00 C ATOM 373 C ALA A 24 -9.016 7.182 -2.735 1.00 0.00 C ATOM 374 O ALA A 24 -7.797 7.029 -2.651 1.00 0.00 O ATOM 375 CB ALA A 24 -9.332 6.486 -0.355 1.00 0.00 C ATOM 0 H ALA A 24 -9.679 4.776 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.878 7.090 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.086 7.503 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.039 6.056 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.424 5.883 -0.374 1.00 0.00 H new ATOM 381 N PRO A 25 -9.589 7.926 -3.674 1.00 0.00 N ATOM 382 CA PRO A 25 -8.803 8.634 -4.677 1.00 0.00 C ATOM 383 C PRO A 25 -7.755 9.527 -4.025 1.00 0.00 C ATOM 384 O PRO A 25 -6.589 9.523 -4.422 1.00 0.00 O ATOM 385 CB PRO A 25 -9.857 9.454 -5.426 1.00 0.00 C ATOM 386 CG PRO A 25 -11.109 8.657 -5.288 1.00 0.00 C ATOM 387 CD PRO A 25 -11.046 8.101 -3.890 1.00 0.00 C ATOM 0 HA PRO A 25 -8.239 7.970 -5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.969 10.448 -4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.585 9.590 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.993 9.278 -5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.157 7.861 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.484 8.784 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.584 7.157 -3.805 1.00 0.00 H new ATOM 395 N VAL A 26 -8.176 10.291 -3.023 1.00 0.00 N ATOM 396 CA VAL A 26 -7.291 11.243 -2.361 1.00 0.00 C ATOM 397 C VAL A 26 -6.151 10.529 -1.646 1.00 0.00 C ATOM 398 O VAL A 26 -4.994 10.941 -1.737 1.00 0.00 O ATOM 399 CB VAL A 26 -8.081 12.090 -1.346 1.00 0.00 C ATOM 400 CG1 VAL A 26 -7.137 12.949 -0.520 1.00 0.00 C ATOM 401 CG2 VAL A 26 -9.100 12.953 -2.073 1.00 0.00 C ATOM 0 H VAL A 26 -9.125 10.270 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.869 11.892 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.612 11.423 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.712 13.541 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.440 12.308 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.580 13.615 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.655 13.549 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.585 13.615 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.791 12.314 -2.623 1.00 0.00 H new ATOM 411 N THR A 27 -6.484 9.459 -0.933 1.00 0.00 N ATOM 412 CA THR A 27 -5.503 8.734 -0.134 1.00 0.00 C ATOM 413 C THR A 27 -4.430 8.108 -1.014 1.00 0.00 C ATOM 414 O THR A 27 -3.236 8.245 -0.748 1.00 0.00 O ATOM 415 CB THR A 27 -6.178 7.643 0.716 1.00 0.00 C ATOM 416 OG1 THR A 27 -7.125 8.244 1.608 1.00 0.00 O ATOM 417 CG2 THR A 27 -5.140 6.878 1.524 1.00 0.00 C ATOM 0 H THR A 27 -7.428 9.074 -0.892 1.00 0.00 H new ATOM 0 HA THR A 27 -5.031 9.457 0.532 1.00 0.00 H new ATOM 0 HB THR A 27 -6.689 6.949 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.729 8.324 2.501 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.635 6.111 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.426 6.408 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.614 7.567 2.185 1.00 0.00 H new ATOM 425 N VAL A 28 -4.862 7.420 -2.066 1.00 0.00 N ATOM 426 CA VAL A 28 -3.938 6.777 -2.994 1.00 0.00 C ATOM 427 C VAL A 28 -3.067 7.806 -3.704 1.00 0.00 C ATOM 428 O VAL A 28 -1.872 7.590 -3.903 1.00 0.00 O ATOM 429 CB VAL A 28 -4.715 5.957 -4.040 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.781 5.470 -5.136 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.412 4.784 -3.364 1.00 0.00 C ATOM 0 H VAL A 28 -5.847 7.293 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.295 6.114 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.470 6.594 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.347 4.892 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.321 6.326 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.004 4.842 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.960 4.208 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.669 4.146 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.107 5.158 -2.612 1.00 0.00 H new ATOM 441 N ALA A 29 -3.673 8.925 -4.085 1.00 0.00 N ATOM 442 CA ALA A 29 -2.939 10.019 -4.709 1.00 0.00 C ATOM 443 C ALA A 29 -1.826 10.524 -3.801 1.00 0.00 C ATOM 444 O ALA A 29 -0.683 10.677 -4.230 1.00 0.00 O ATOM 445 CB ALA A 29 -3.886 11.156 -5.068 1.00 0.00 C ATOM 0 H ALA A 29 -4.672 9.098 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.482 9.639 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.323 11.965 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.642 10.793 -5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.371 11.524 -4.164 1.00 0.00 H new ATOM 451 N ASN A 30 -2.168 10.783 -2.542 1.00 0.00 N ATOM 452 CA ASN A 30 -1.195 11.262 -1.568 1.00 0.00 C ATOM 453 C ASN A 30 -0.081 10.246 -1.356 1.00 0.00 C ATOM 454 O ASN A 30 1.094 10.606 -1.279 1.00 0.00 O ATOM 455 CB ASN A 30 -1.876 11.592 -0.252 1.00 0.00 C ATOM 456 CG ASN A 30 -2.456 12.978 -0.232 1.00 0.00 C ATOM 457 OD1 ASN A 30 -1.727 13.971 -0.341 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.755 13.066 -0.098 1.00 0.00 N ATOM 0 H ASN A 30 -3.112 10.669 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.745 12.173 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.669 10.868 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.156 11.492 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.205 13.981 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.317 12.219 -0.011 1.00 0.00 H new ATOM 465 N PHE A 31 -0.456 8.974 -1.260 1.00 0.00 N ATOM 466 CA PHE A 31 0.516 7.898 -1.110 1.00 0.00 C ATOM 467 C PHE A 31 1.535 7.914 -2.242 1.00 0.00 C ATOM 468 O PHE A 31 2.742 7.885 -2.004 1.00 0.00 O ATOM 469 CB PHE A 31 -0.191 6.543 -1.071 1.00 0.00 C ATOM 470 CG PHE A 31 0.745 5.374 -0.937 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.197 4.969 0.309 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.175 4.680 -2.057 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.059 3.895 0.434 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.035 3.606 -1.937 1.00 0.00 C ATOM 475 CZ PHE A 31 2.477 3.213 -0.689 1.00 0.00 C ATOM 0 H PHE A 31 -1.427 8.664 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 31 1.044 8.056 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.892 6.533 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.778 6.424 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.872 5.498 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.833 4.983 -3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.405 3.591 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.362 3.074 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.149 2.373 -0.593 1.00 0.00 H new ATOM 485 N GLU A 32 1.040 7.958 -3.476 1.00 0.00 N ATOM 486 CA GLU A 32 1.907 7.966 -4.648 1.00 0.00 C ATOM 487 C GLU A 32 2.824 9.183 -4.647 1.00 0.00 C ATOM 488 O GLU A 32 4.025 9.067 -4.889 1.00 0.00 O ATOM 489 CB GLU A 32 1.071 7.947 -5.929 1.00 0.00 C ATOM 490 CG GLU A 32 1.886 7.859 -7.211 1.00 0.00 C ATOM 491 CD GLU A 32 1.033 7.868 -8.449 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.172 7.028 -8.560 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.243 8.715 -9.285 1.00 0.00 O ATOM 0 H GLU A 32 0.043 7.989 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 32 2.526 7.070 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.387 7.099 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.460 8.849 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.583 8.696 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.483 6.947 -7.194 1.00 0.00 H new ATOM 500 N LYS A 33 2.250 10.350 -4.372 1.00 0.00 N ATOM 501 CA LYS A 33 3.010 11.593 -4.365 1.00 0.00 C ATOM 502 C LYS A 33 4.114 11.559 -3.316 1.00 0.00 C ATOM 503 O LYS A 33 5.246 11.967 -3.577 1.00 0.00 O ATOM 504 CB LYS A 33 2.084 12.785 -4.116 1.00 0.00 C ATOM 505 CG LYS A 33 1.161 13.120 -5.281 1.00 0.00 C ATOM 506 CD LYS A 33 0.249 14.290 -4.945 1.00 0.00 C ATOM 507 CE LYS A 33 -0.687 14.612 -6.100 1.00 0.00 C ATOM 508 NZ LYS A 33 -1.575 15.767 -5.791 1.00 0.00 N ATOM 0 H LYS A 33 1.260 10.460 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 33 3.475 11.704 -5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.476 12.579 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.692 13.660 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.756 13.361 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.559 12.247 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.335 14.054 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.852 15.167 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.100 14.834 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.296 13.737 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.197 15.954 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.154 15.546 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.995 16.609 -5.598 1.00 0.00 H new ATOM 522 N LEU A 34 3.778 11.070 -2.127 1.00 0.00 N ATOM 523 CA LEU A 34 4.751 10.938 -1.050 1.00 0.00 C ATOM 524 C LEU A 34 5.913 10.043 -1.464 1.00 0.00 C ATOM 525 O LEU A 34 7.077 10.377 -1.240 1.00 0.00 O ATOM 526 CB LEU A 34 4.080 10.365 0.205 1.00 0.00 C ATOM 527 CG LEU A 34 3.155 11.326 0.961 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.365 10.553 2.010 1.00 0.00 C ATOM 529 CD2 LEU A 34 3.983 12.428 1.604 1.00 0.00 C ATOM 0 H LEU A 34 2.837 10.758 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 34 5.142 11.931 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.504 9.486 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.859 10.026 0.888 1.00 0.00 H new ATOM 0 HG LEU A 34 2.450 11.785 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.708 11.237 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.767 9.784 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.054 10.085 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.325 13.111 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.696 11.988 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.522 12.976 0.831 1.00 0.00 H new ATOM 541 N ALA A 35 5.590 8.907 -2.071 1.00 0.00 N ATOM 542 CA ALA A 35 6.608 7.979 -2.551 1.00 0.00 C ATOM 543 C ALA A 35 7.515 8.641 -3.580 1.00 0.00 C ATOM 544 O ALA A 35 8.735 8.478 -3.542 1.00 0.00 O ATOM 545 CB ALA A 35 5.956 6.736 -3.141 1.00 0.00 C ATOM 0 H ALA A 35 4.631 8.606 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 35 7.223 7.684 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.728 6.053 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.357 6.241 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.315 7.022 -3.975 1.00 0.00 H new ATOM 551 N ASN A 36 6.913 9.388 -4.498 1.00 0.00 N ATOM 552 CA ASN A 36 7.669 10.113 -5.512 1.00 0.00 C ATOM 553 C ASN A 36 8.529 11.202 -4.884 1.00 0.00 C ATOM 554 O ASN A 36 9.592 11.544 -5.402 1.00 0.00 O ATOM 555 CB ASN A 36 6.736 10.704 -6.554 1.00 0.00 C ATOM 556 CG ASN A 36 6.171 9.663 -7.479 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.734 8.571 -7.625 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.068 9.978 -8.108 1.00 0.00 N ATOM 0 H ASN A 36 5.902 9.508 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 36 8.334 9.403 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.918 11.222 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.275 11.450 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.638 9.311 -8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.638 10.890 -7.957 1.00 0.00 H new ATOM 565 N GLU A 37 8.064 11.744 -3.764 1.00 0.00 N ATOM 566 CA GLU A 37 8.795 12.787 -3.055 1.00 0.00 C ATOM 567 C GLU A 37 9.852 12.190 -2.134 1.00 0.00 C ATOM 568 O GLU A 37 10.629 12.915 -1.514 1.00 0.00 O ATOM 569 CB GLU A 37 7.833 13.658 -2.245 1.00 0.00 C ATOM 570 CG GLU A 37 6.981 14.601 -3.084 1.00 0.00 C ATOM 571 CD GLU A 37 5.918 15.298 -2.283 1.00 0.00 C ATOM 572 OE1 GLU A 37 6.256 15.959 -1.331 1.00 0.00 O ATOM 573 OE2 GLU A 37 4.765 15.170 -2.623 1.00 0.00 O ATOM 0 H GLU A 37 7.182 11.477 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 37 9.297 13.405 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.174 13.010 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.409 14.246 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.625 15.347 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.511 14.038 -3.890 1.00 0.00 H new ATOM 580 N GLY A 38 9.874 10.864 -2.048 1.00 0.00 N ATOM 581 CA GLY A 38 10.956 10.158 -1.374 1.00 0.00 C ATOM 582 C GLY A 38 10.573 9.797 0.055 1.00 0.00 C ATOM 583 O GLY A 38 11.381 9.249 0.805 1.00 0.00 O ATOM 0 H GLY A 38 9.153 10.256 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.202 9.252 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.851 10.780 -1.367 1.00 0.00 H new ATOM 587 N PHE A 39 9.336 10.107 0.426 1.00 0.00 N ATOM 588 CA PHE A 39 8.860 9.868 1.784 1.00 0.00 C ATOM 589 C PHE A 39 8.768 8.376 2.080 1.00 0.00 C ATOM 590 O PHE A 39 8.930 7.949 3.223 1.00 0.00 O ATOM 591 CB PHE A 39 7.492 10.519 1.993 1.00 0.00 C ATOM 592 CG PHE A 39 7.562 11.990 2.293 1.00 0.00 C ATOM 593 CD1 PHE A 39 7.766 12.440 3.589 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.423 12.926 1.280 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.829 13.792 3.867 1.00 0.00 C ATOM 596 CE2 PHE A 39 7.487 14.279 1.554 1.00 0.00 C ATOM 597 CZ PHE A 39 7.689 14.712 2.847 1.00 0.00 C ATOM 0 H PHE A 39 8.643 10.525 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 39 9.579 10.314 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.887 10.368 1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.981 10.014 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.877 11.725 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.263 12.594 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.988 14.129 4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.379 14.997 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.738 15.769 3.062 1.00 0.00 H new ATOM 607 N TYR A 40 8.507 7.587 1.043 1.00 0.00 N ATOM 608 CA TYR A 40 8.450 6.137 1.180 1.00 0.00 C ATOM 609 C TYR A 40 9.716 5.483 0.641 1.00 0.00 C ATOM 610 O TYR A 40 9.683 4.351 0.156 1.00 0.00 O ATOM 611 CB TYR A 40 7.219 5.580 0.462 1.00 0.00 C ATOM 612 CG TYR A 40 5.922 5.810 1.205 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.557 4.964 2.242 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.097 6.868 0.850 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.373 5.174 2.921 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.913 7.078 1.530 1.00 0.00 C ATOM 617 CZ TYR A 40 3.552 6.226 2.569 1.00 0.00 C ATOM 618 OH TYR A 40 2.374 6.436 3.246 1.00 0.00 O ATOM 0 H TYR A 40 8.332 7.928 0.098 1.00 0.00 H new ATOM 0 HA TYR A 40 8.374 5.904 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.148 6.038 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.353 4.509 0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.199 4.141 2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.380 7.527 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.089 4.515 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.270 7.901 1.256 1.00 0.00 H new ATOM 0 HH TYR A 40 2.541 6.405 4.211 1.00 0.00 H new ATOM 628 N ASN A 41 10.831 6.200 0.731 1.00 0.00 N ATOM 629 CA ASN A 41 12.131 5.643 0.376 1.00 0.00 C ATOM 630 C ASN A 41 13.083 5.668 1.565 1.00 0.00 C ATOM 631 O ASN A 41 14.217 6.134 1.454 1.00 0.00 O ATOM 632 CB ASN A 41 12.728 6.389 -0.802 1.00 0.00 C ATOM 633 CG ASN A 41 12.047 6.057 -2.101 1.00 0.00 C ATOM 634 OD1 ASN A 41 11.482 4.968 -2.259 1.00 0.00 O ATOM 635 ND2 ASN A 41 12.090 6.973 -3.034 1.00 0.00 N ATOM 0 H ASN A 41 10.860 7.169 1.047 1.00 0.00 H new ATOM 0 HA ASN A 41 11.983 4.603 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.656 7.462 -0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.788 6.149 -0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.646 6.803 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.568 7.857 -2.859 1.00 0.00 H new ATOM 642 N GLY A 42 12.615 5.165 2.702 1.00 0.00 N ATOM 643 CA GLY A 42 13.439 5.089 3.903 1.00 0.00 C ATOM 644 C GLY A 42 12.601 5.281 5.160 1.00 0.00 C ATOM 645 O GLY A 42 12.816 6.223 5.923 1.00 0.00 O ATOM 0 H GLY A 42 11.668 4.803 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.941 4.122 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.217 5.851 3.862 1.00 0.00 H new ATOM 649 N LEU A 43 11.643 4.386 5.369 1.00 0.00 N ATOM 650 CA LEU A 43 10.821 4.409 6.573 1.00 0.00 C ATOM 651 C LEU A 43 11.044 3.159 7.417 1.00 0.00 C ATOM 652 O LEU A 43 11.522 2.139 6.920 1.00 0.00 O ATOM 653 CB LEU A 43 9.338 4.523 6.201 1.00 0.00 C ATOM 654 CG LEU A 43 8.956 5.749 5.362 1.00 0.00 C ATOM 655 CD1 LEU A 43 7.491 5.650 4.956 1.00 0.00 C ATOM 656 CD2 LEU A 43 9.216 7.015 6.164 1.00 0.00 C ATOM 0 H LEU A 43 11.416 3.634 4.719 1.00 0.00 H new ATOM 0 HA LEU A 43 11.115 5.278 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.050 3.626 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.752 4.537 7.120 1.00 0.00 H new ATOM 0 HG LEU A 43 9.563 5.785 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.219 6.521 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.337 4.745 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.868 5.613 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.944 7.886 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.617 6.998 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.273 7.070 6.425 1.00 0.00 H new ATOM 668 N THR A 44 10.696 3.246 8.696 1.00 0.00 N ATOM 669 CA THR A 44 10.855 2.121 9.610 1.00 0.00 C ATOM 670 C THR A 44 9.503 1.609 10.092 1.00 0.00 C ATOM 671 O THR A 44 8.550 2.375 10.228 1.00 0.00 O ATOM 672 CB THR A 44 11.722 2.510 10.822 1.00 0.00 C ATOM 673 OG1 THR A 44 12.992 2.995 10.367 1.00 0.00 O ATOM 674 CG2 THR A 44 11.938 1.309 11.731 1.00 0.00 C ATOM 0 H THR A 44 10.302 4.084 9.123 1.00 0.00 H new ATOM 0 HA THR A 44 11.356 1.325 9.059 1.00 0.00 H new ATOM 0 HB THR A 44 11.207 3.289 11.384 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.543 3.244 11.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.553 1.603 12.582 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.975 0.945 12.088 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.442 0.518 11.175 1.00 0.00 H new ATOM 682 N PHE A 45 9.428 0.306 10.350 1.00 0.00 N ATOM 683 CA PHE A 45 8.236 -0.288 10.942 1.00 0.00 C ATOM 684 C PHE A 45 8.390 -0.445 12.450 1.00 0.00 C ATOM 685 O PHE A 45 8.992 -1.409 12.925 1.00 0.00 O ATOM 686 CB PHE A 45 7.949 -1.651 10.309 1.00 0.00 C ATOM 687 CG PHE A 45 7.417 -1.568 8.907 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.265 -1.292 7.844 1.00 0.00 C ATOM 689 CD2 PHE A 45 6.070 -1.764 8.647 1.00 0.00 C ATOM 690 CE1 PHE A 45 7.776 -1.215 6.553 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.579 -1.690 7.358 1.00 0.00 C ATOM 692 CZ PHE A 45 6.434 -1.414 6.310 1.00 0.00 C ATOM 0 H PHE A 45 10.179 -0.357 10.158 1.00 0.00 H new ATOM 0 HA PHE A 45 7.399 0.383 10.748 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.866 -2.240 10.305 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.230 -2.185 10.930 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.318 -1.136 8.027 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.395 -1.977 9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.446 -0.999 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.527 -1.848 7.170 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.052 -1.354 5.302 1.00 0.00 H new ATOM 702 N HIS A 46 7.844 0.506 13.198 1.00 0.00 N ATOM 703 CA HIS A 46 8.088 0.589 14.633 1.00 0.00 C ATOM 704 C HIS A 46 7.333 -0.499 15.384 1.00 0.00 C ATOM 705 O HIS A 46 7.876 -1.132 16.291 1.00 0.00 O ATOM 706 CB HIS A 46 7.684 1.965 15.173 1.00 0.00 C ATOM 707 CG HIS A 46 8.122 2.209 16.584 1.00 0.00 C ATOM 708 ND1 HIS A 46 9.410 2.574 16.910 1.00 0.00 N ATOM 709 CD2 HIS A 46 7.442 2.141 17.752 1.00 0.00 C ATOM 710 CE1 HIS A 46 9.505 2.720 18.221 1.00 0.00 C ATOM 711 NE2 HIS A 46 8.324 2.463 18.753 1.00 0.00 N ATOM 0 H HIS A 46 7.228 1.232 12.834 1.00 0.00 H new ATOM 0 HA HIS A 46 9.156 0.443 14.793 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.109 2.737 14.531 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.600 2.064 15.116 1.00 0.00 H new ATOM 0 HD1 HIS A 46 10.171 2.710 16.245 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.401 1.882 17.874 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.396 3.001 18.763 1.00 0.00 H new ATOM 718 N ARG A 47 6.079 -0.715 15.001 1.00 0.00 N ATOM 719 CA ARG A 47 5.186 -1.585 15.756 1.00 0.00 C ATOM 720 C ARG A 47 4.697 -2.747 14.901 1.00 0.00 C ATOM 721 O ARG A 47 3.582 -2.718 14.378 1.00 0.00 O ATOM 722 CB ARG A 47 3.990 -0.803 16.278 1.00 0.00 C ATOM 723 CG ARG A 47 4.333 0.334 17.227 1.00 0.00 C ATOM 724 CD ARG A 47 3.114 1.004 17.746 1.00 0.00 C ATOM 725 NE ARG A 47 3.438 2.112 18.630 1.00 0.00 N ATOM 726 CZ ARG A 47 3.630 3.382 18.226 1.00 0.00 C ATOM 727 NH1 ARG A 47 3.527 3.689 16.951 1.00 0.00 N ATOM 728 NH2 ARG A 47 3.922 4.321 19.109 1.00 0.00 N ATOM 0 H ARG A 47 5.658 -0.298 14.171 1.00 0.00 H new ATOM 0 HA ARG A 47 5.752 -1.983 16.598 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.442 -0.395 15.428 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.318 -1.493 16.789 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.919 -0.053 18.061 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.957 1.063 16.710 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.517 1.369 16.910 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.502 0.279 18.282 1.00 0.00 H new ATOM 0 HE ARG A 47 3.526 1.913 19.627 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.302 2.965 16.269 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.672 4.651 16.645 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.002 4.084 20.098 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.067 5.283 18.802 1.00 0.00 H new ATOM 742 N VAL A 48 5.535 -3.768 14.762 1.00 0.00 N ATOM 743 CA VAL A 48 5.163 -4.970 14.027 1.00 0.00 C ATOM 744 C VAL A 48 4.572 -6.023 14.956 1.00 0.00 C ATOM 745 O VAL A 48 5.204 -6.428 15.932 1.00 0.00 O ATOM 746 CB VAL A 48 6.390 -5.558 13.305 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.026 -6.861 12.611 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.934 -4.548 12.305 1.00 0.00 C ATOM 0 H VAL A 48 6.478 -3.787 15.150 1.00 0.00 H new ATOM 0 HA VAL A 48 4.408 -4.688 13.293 1.00 0.00 H new ATOM 0 HB VAL A 48 7.165 -5.773 14.041 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.905 -7.262 12.106 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.672 -7.580 13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.240 -6.676 11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.802 -4.970 11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.164 -4.312 11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.227 -3.638 12.829 1.00 0.00 H new ATOM 758 N ILE A 49 3.357 -6.464 14.647 1.00 0.00 N ATOM 759 CA ILE A 49 2.690 -7.491 15.438 1.00 0.00 C ATOM 760 C ILE A 49 2.385 -8.724 14.597 1.00 0.00 C ATOM 761 O ILE A 49 1.384 -8.766 13.882 1.00 0.00 O ATOM 762 CB ILE A 49 1.385 -6.951 16.051 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.663 -5.694 16.879 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.718 -8.018 16.905 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.415 -4.975 17.335 1.00 0.00 C ATOM 0 H ILE A 49 2.814 -6.125 13.853 1.00 0.00 H new ATOM 0 HA ILE A 49 3.371 -7.774 16.241 1.00 0.00 H new ATOM 0 HB ILE A 49 0.706 -6.685 15.241 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.252 -5.970 17.754 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.271 -5.008 16.288 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.203 -7.620 17.331 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.487 -8.886 16.288 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.391 -8.314 17.709 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.693 -4.095 17.915 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.166 -4.667 16.466 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.184 -5.643 17.954 1.00 0.00 H new ATOM 777 N PRO A 50 3.256 -9.724 14.685 1.00 0.00 N ATOM 778 CA PRO A 50 3.117 -10.933 13.882 1.00 0.00 C ATOM 779 C PRO A 50 1.753 -11.577 14.087 1.00 0.00 C ATOM 780 O PRO A 50 1.338 -11.828 15.219 1.00 0.00 O ATOM 781 CB PRO A 50 4.248 -11.825 14.404 1.00 0.00 C ATOM 782 CG PRO A 50 5.293 -10.862 14.856 1.00 0.00 C ATOM 783 CD PRO A 50 4.517 -9.726 15.466 1.00 0.00 C ATOM 0 HA PRO A 50 3.182 -10.749 12.810 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.909 -12.459 15.223 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.626 -12.486 13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.966 -11.318 15.582 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.907 -10.521 14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.333 -9.888 16.528 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.049 -8.779 15.375 1.00 0.00 H new ATOM 791 N GLY A 51 1.058 -11.845 12.987 1.00 0.00 N ATOM 792 CA GLY A 51 -0.196 -12.586 13.034 1.00 0.00 C ATOM 793 C GLY A 51 -1.393 -11.643 13.051 1.00 0.00 C ATOM 794 O GLY A 51 -2.538 -12.076 12.925 1.00 0.00 O ATOM 0 H GLY A 51 1.343 -11.559 12.050 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.263 -13.248 12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.215 -13.218 13.922 1.00 0.00 H new ATOM 798 N PHE A 52 -1.121 -10.352 13.207 1.00 0.00 N ATOM 799 CA PHE A 52 -2.176 -9.350 13.278 1.00 0.00 C ATOM 800 C PHE A 52 -1.973 -8.260 12.233 1.00 0.00 C ATOM 801 O PHE A 52 -2.766 -8.123 11.301 1.00 0.00 O ATOM 802 CB PHE A 52 -2.225 -8.722 14.672 1.00 0.00 C ATOM 803 CG PHE A 52 -2.699 -9.663 15.743 1.00 0.00 C ATOM 804 CD1 PHE A 52 -1.809 -10.511 16.386 1.00 0.00 C ATOM 805 CD2 PHE A 52 -4.035 -9.703 16.111 1.00 0.00 C ATOM 806 CE1 PHE A 52 -2.243 -11.378 17.371 1.00 0.00 C ATOM 807 CE2 PHE A 52 -4.473 -10.567 17.096 1.00 0.00 C ATOM 808 CZ PHE A 52 -3.576 -11.405 17.727 1.00 0.00 C ATOM 0 H PHE A 52 -0.177 -9.975 13.287 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.122 -9.852 13.076 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.230 -8.360 14.933 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.883 -7.854 14.647 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.764 -10.493 16.114 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.743 -9.050 15.621 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.539 -12.034 17.862 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.517 -10.587 17.372 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.917 -12.080 18.498 1.00 0.00 H new ATOM 818 N VAL A 53 -0.905 -7.485 12.393 1.00 0.00 N ATOM 819 CA VAL A 53 -0.686 -6.303 11.570 1.00 0.00 C ATOM 820 C VAL A 53 0.705 -5.724 11.796 1.00 0.00 C ATOM 821 O VAL A 53 1.196 -5.686 12.924 1.00 0.00 O ATOM 822 CB VAL A 53 -1.743 -5.228 11.885 1.00 0.00 C ATOM 823 CG1 VAL A 53 -1.600 -4.746 13.321 1.00 0.00 C ATOM 824 CG2 VAL A 53 -1.611 -4.068 10.911 1.00 0.00 C ATOM 0 H VAL A 53 -0.177 -7.656 13.087 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.773 -6.606 10.527 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.735 -5.665 11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.354 -3.987 13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.736 -5.586 14.002 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.607 -4.319 13.464 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.362 -3.312 11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.617 -3.630 11.000 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.759 -4.429 9.893 1.00 0.00 H new ATOM 834 N SER A 54 1.335 -5.273 10.716 1.00 0.00 N ATOM 835 CA SER A 54 2.580 -4.520 10.815 1.00 0.00 C ATOM 836 C SER A 54 2.328 -3.023 10.699 1.00 0.00 C ATOM 837 O SER A 54 2.050 -2.512 9.614 1.00 0.00 O ATOM 838 CB SER A 54 3.546 -4.965 9.734 1.00 0.00 C ATOM 839 OG SER A 54 3.904 -6.309 9.903 1.00 0.00 O ATOM 0 H SER A 54 1.004 -5.416 9.762 1.00 0.00 H new ATOM 0 HA SER A 54 3.017 -4.718 11.794 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.089 -4.827 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.439 -4.341 9.760 1.00 0.00 H new ATOM 0 HG SER A 54 4.833 -6.438 9.618 1.00 0.00 H new ATOM 845 N GLN A 55 2.428 -2.322 11.823 1.00 0.00 N ATOM 846 CA GLN A 55 2.285 -0.871 11.838 1.00 0.00 C ATOM 847 C GLN A 55 3.635 -0.182 11.687 1.00 0.00 C ATOM 848 O GLN A 55 4.531 -0.365 12.511 1.00 0.00 O ATOM 849 CB GLN A 55 1.606 -0.413 13.131 1.00 0.00 C ATOM 850 CG GLN A 55 1.441 1.093 13.248 1.00 0.00 C ATOM 851 CD GLN A 55 0.778 1.504 14.549 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.394 0.657 15.360 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.640 2.808 14.755 1.00 0.00 N ATOM 0 H GLN A 55 2.608 -2.736 12.738 1.00 0.00 H new ATOM 0 HA GLN A 55 1.661 -0.590 10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.624 -0.881 13.198 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.188 -0.771 13.980 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.419 1.569 13.176 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.846 1.457 12.410 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.973 3.473 14.056 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.201 3.145 15.612 1.00 0.00 H new ATOM 862 N GLY A 56 3.774 0.610 10.629 1.00 0.00 N ATOM 863 CA GLY A 56 5.052 1.228 10.299 1.00 0.00 C ATOM 864 C GLY A 56 4.886 2.295 9.224 1.00 0.00 C ATOM 865 O GLY A 56 3.786 2.516 8.720 1.00 0.00 O ATOM 0 H GLY A 56 3.017 0.839 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.485 1.674 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.750 0.465 9.953 1.00 0.00 H new ATOM 869 N GLY A 57 5.987 2.955 8.878 1.00 0.00 N ATOM 870 CA GLY A 57 5.954 4.044 7.910 1.00 0.00 C ATOM 871 C GLY A 57 6.444 5.347 8.531 1.00 0.00 C ATOM 872 O GLY A 57 6.095 6.435 8.071 1.00 0.00 O ATOM 0 H GLY A 57 6.913 2.754 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.576 3.790 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.937 4.174 7.539 1.00 0.00 H new ATOM 876 N CYS A 58 7.255 5.230 9.577 1.00 0.00 N ATOM 877 CA CYS A 58 7.776 6.397 10.277 1.00 0.00 C ATOM 878 C CYS A 58 9.202 6.710 9.841 1.00 0.00 C ATOM 879 O CYS A 58 10.065 5.833 9.832 1.00 0.00 O ATOM 880 CB CYS A 58 7.748 6.175 11.789 1.00 0.00 C ATOM 881 SG CYS A 58 8.334 7.589 12.755 1.00 0.00 S ATOM 0 H CYS A 58 7.566 4.337 9.959 1.00 0.00 H new ATOM 0 HA CYS A 58 7.137 7.242 10.023 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.728 5.940 12.092 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.360 5.306 12.029 1.00 0.00 H new ATOM 0 HG CYS A 58 7.572 8.617 12.526 1.00 0.00 H new ATOM 887 N PRO A 59 9.443 7.966 9.480 1.00 0.00 N ATOM 888 CA PRO A 59 10.757 8.390 9.012 1.00 0.00 C ATOM 889 C PRO A 59 11.728 8.556 10.174 1.00 0.00 C ATOM 890 O PRO A 59 12.942 8.615 9.977 1.00 0.00 O ATOM 891 CB PRO A 59 10.463 9.728 8.326 1.00 0.00 C ATOM 892 CG PRO A 59 9.294 10.273 9.072 1.00 0.00 C ATOM 893 CD PRO A 59 8.451 9.065 9.383 1.00 0.00 C ATOM 0 HA PRO A 59 11.233 7.668 8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.319 10.400 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.233 9.592 7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.607 10.784 9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.743 10.998 8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.898 9.190 10.314 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.717 8.875 8.600 1.00 0.00 H new ATOM 901 N ARG A 60 11.187 8.631 11.385 1.00 0.00 N ATOM 902 CA ARG A 60 12.004 8.803 12.580 1.00 0.00 C ATOM 903 C ARG A 60 12.241 7.473 13.282 1.00 0.00 C ATOM 904 O ARG A 60 13.217 7.313 14.017 1.00 0.00 O ATOM 905 CB ARG A 60 11.341 9.772 13.547 1.00 0.00 C ATOM 906 CG ARG A 60 10.998 11.131 12.956 1.00 0.00 C ATOM 907 CD ARG A 60 10.265 11.983 13.927 1.00 0.00 C ATOM 908 NE ARG A 60 9.595 13.097 13.275 1.00 0.00 N ATOM 909 CZ ARG A 60 8.949 14.087 13.921 1.00 0.00 C ATOM 910 NH1 ARG A 60 8.893 14.086 15.236 1.00 0.00 N ATOM 911 NH2 ARG A 60 8.370 15.057 13.236 1.00 0.00 N ATOM 0 H ARG A 60 10.185 8.575 11.565 1.00 0.00 H new ATOM 0 HA ARG A 60 12.965 9.208 12.263 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.427 9.316 13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.002 9.920 14.401 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.914 11.636 12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.392 10.996 12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.530 11.378 14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.962 12.365 14.673 1.00 0.00 H new ATOM 0 HE ARG A 60 9.616 13.131 12.256 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.338 13.336 15.765 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.404 14.835 15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.412 15.057 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.881 15.806 13.726 1.00 0.00 H new ATOM 925 N GLY A 61 11.344 6.520 13.053 1.00 0.00 N ATOM 926 CA GLY A 61 11.438 5.210 13.687 1.00 0.00 C ATOM 927 C GLY A 61 11.016 5.275 15.149 1.00 0.00 C ATOM 928 O GLY A 61 11.283 4.355 15.923 1.00 0.00 O ATOM 0 H GLY A 61 10.542 6.631 12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.806 4.499 13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.461 4.842 13.617 1.00 0.00 H new ATOM 932 N ASN A 62 10.355 6.366 15.521 1.00 0.00 N ATOM 933 CA ASN A 62 9.985 6.601 16.912 1.00 0.00 C ATOM 934 C ASN A 62 8.529 6.233 17.165 1.00 0.00 C ATOM 935 O ASN A 62 8.032 6.355 18.284 1.00 0.00 O ATOM 936 CB ASN A 62 10.246 8.045 17.299 1.00 0.00 C ATOM 937 CG ASN A 62 11.713 8.368 17.368 1.00 0.00 C ATOM 938 OD1 ASN A 62 12.543 7.491 17.635 1.00 0.00 O ATOM 939 ND2 ASN A 62 12.048 9.610 17.132 1.00 0.00 N ATOM 0 H ASN A 62 10.064 7.102 14.878 1.00 0.00 H new ATOM 0 HA ASN A 62 10.606 5.958 17.536 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.766 8.704 16.575 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.787 8.247 18.267 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.029 9.889 17.164 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.329 10.300 16.916 1.00 0.00 H new ATOM 946 N GLY A 63 7.848 5.782 16.116 1.00 0.00 N ATOM 947 CA GLY A 63 6.465 5.336 16.235 1.00 0.00 C ATOM 948 C GLY A 63 5.493 6.437 15.828 1.00 0.00 C ATOM 949 O GLY A 63 4.283 6.221 15.775 1.00 0.00 O ATOM 0 H GLY A 63 8.232 5.716 15.173 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.308 4.459 15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.265 5.033 17.263 1.00 0.00 H new ATOM 953 N THR A 64 6.031 7.617 15.542 1.00 0.00 N ATOM 954 CA THR A 64 5.214 8.749 15.122 1.00 0.00 C ATOM 955 C THR A 64 5.556 9.179 13.701 1.00 0.00 C ATOM 956 O THR A 64 6.581 9.819 13.464 1.00 0.00 O ATOM 957 CB THR A 64 5.389 9.943 16.079 1.00 0.00 C ATOM 958 OG1 THR A 64 5.006 9.557 17.405 1.00 0.00 O ATOM 959 CG2 THR A 64 4.533 11.117 15.629 1.00 0.00 C ATOM 0 H THR A 64 7.030 7.815 15.593 1.00 0.00 H new ATOM 0 HA THR A 64 4.174 8.424 15.149 1.00 0.00 H new ATOM 0 HB THR A 64 6.436 10.246 16.070 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.120 10.317 18.013 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.669 11.951 16.317 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.831 11.421 14.626 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.484 10.821 15.621 1.00 0.00 H new ATOM 967 N GLY A 65 4.691 8.823 12.757 1.00 0.00 N ATOM 968 CA GLY A 65 4.928 9.120 11.349 1.00 0.00 C ATOM 969 C GLY A 65 4.811 10.614 11.075 1.00 0.00 C ATOM 970 O GLY A 65 4.131 11.337 11.803 1.00 0.00 O ATOM 0 H GLY A 65 3.819 8.328 12.942 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.920 8.772 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.210 8.577 10.734 1.00 0.00 H new ATOM 974 N ASP A 66 5.477 11.071 10.020 1.00 0.00 N ATOM 975 CA ASP A 66 5.466 12.483 9.659 1.00 0.00 C ATOM 976 C ASP A 66 5.507 12.666 8.147 1.00 0.00 C ATOM 977 O ASP A 66 6.570 12.584 7.531 1.00 0.00 O ATOM 978 CB ASP A 66 6.651 13.210 10.299 1.00 0.00 C ATOM 979 CG ASP A 66 6.629 14.712 10.051 1.00 0.00 C ATOM 980 OD1 ASP A 66 5.743 15.168 9.369 1.00 0.00 O ATOM 981 OD2 ASP A 66 7.499 15.388 10.547 1.00 0.00 O ATOM 0 H ASP A 66 6.032 10.482 9.399 1.00 0.00 H new ATOM 0 HA ASP A 66 4.537 12.912 10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.648 13.024 11.373 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.580 12.796 9.907 1.00 0.00 H new ATOM 986 N ALA A 67 4.343 12.912 7.554 1.00 0.00 N ATOM 987 CA ALA A 67 4.251 13.149 6.119 1.00 0.00 C ATOM 988 C ALA A 67 4.633 14.582 5.770 1.00 0.00 C ATOM 989 O ALA A 67 4.868 14.906 4.606 1.00 0.00 O ATOM 990 CB ALA A 67 2.847 12.840 5.621 1.00 0.00 C ATOM 0 H ALA A 67 3.450 12.952 8.046 1.00 0.00 H new ATOM 0 HA ALA A 67 4.957 12.483 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.793 13.022 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.610 11.796 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.130 13.481 6.134 1.00 0.00 H new ATOM 996 N GLY A 68 4.694 15.436 6.786 1.00 0.00 N ATOM 997 CA GLY A 68 4.889 16.865 6.574 1.00 0.00 C ATOM 998 C GLY A 68 3.555 17.599 6.514 1.00 0.00 C ATOM 999 O GLY A 68 3.513 18.830 6.495 1.00 0.00 O ATOM 0 H GLY A 68 4.611 15.163 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.497 17.275 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.438 17.026 5.646 1.00 0.00 H new ATOM 1003 N TYR A 69 2.466 16.838 6.484 1.00 0.00 N ATOM 1004 CA TYR A 69 1.129 17.415 6.421 1.00 0.00 C ATOM 1005 C TYR A 69 0.070 16.393 6.815 1.00 0.00 C ATOM 1006 O TYR A 69 0.351 15.198 6.909 1.00 0.00 O ATOM 1007 CB TYR A 69 0.845 17.959 5.019 1.00 0.00 C ATOM 1008 CG TYR A 69 0.832 16.896 3.943 1.00 0.00 C ATOM 1009 CD1 TYR A 69 2.013 16.526 3.318 1.00 0.00 C ATOM 1010 CD2 TYR A 69 -0.364 16.291 3.582 1.00 0.00 C ATOM 1011 CE1 TYR A 69 1.999 15.555 2.335 1.00 0.00 C ATOM 1012 CE2 TYR A 69 -0.377 15.321 2.599 1.00 0.00 C ATOM 1013 CZ TYR A 69 0.810 14.953 1.976 1.00 0.00 C ATOM 1014 OH TYR A 69 0.796 13.986 0.996 1.00 0.00 O ATOM 0 H TYR A 69 2.484 15.818 6.502 1.00 0.00 H new ATOM 0 HA TYR A 69 1.087 18.239 7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.119 18.468 5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.599 18.706 4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.944 16.997 3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.284 16.579 4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.919 15.267 1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.306 14.850 2.315 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.066 14.004 0.531 1.00 0.00 H new ATOM 1024 N THR A 70 -1.149 16.870 7.044 1.00 0.00 N ATOM 1025 CA THR A 70 -2.256 15.998 7.415 1.00 0.00 C ATOM 1026 C THR A 70 -2.995 15.491 6.184 1.00 0.00 C ATOM 1027 O THR A 70 -3.327 16.264 5.285 1.00 0.00 O ATOM 1028 CB THR A 70 -3.243 16.722 8.349 1.00 0.00 C ATOM 1029 OG1 THR A 70 -3.734 17.904 7.706 1.00 0.00 O ATOM 1030 CG2 THR A 70 -2.561 17.103 9.654 1.00 0.00 C ATOM 0 H THR A 70 -1.395 17.858 6.979 1.00 0.00 H new ATOM 0 HA THR A 70 -1.831 15.145 7.944 1.00 0.00 H new ATOM 0 HB THR A 70 -4.072 16.049 8.568 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.542 17.687 7.195 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.274 17.614 10.301 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.199 16.203 10.151 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.721 17.765 9.446 1.00 0.00 H new ATOM 1038 N ILE A 71 -3.250 14.188 6.146 1.00 0.00 N ATOM 1039 CA ILE A 71 -3.897 13.566 4.997 1.00 0.00 C ATOM 1040 C ILE A 71 -5.392 13.396 5.232 1.00 0.00 C ATOM 1041 O ILE A 71 -5.811 12.802 6.225 1.00 0.00 O ATOM 1042 CB ILE A 71 -3.266 12.196 4.688 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -1.779 12.353 4.361 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.998 11.521 3.537 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -1.030 11.043 4.280 1.00 0.00 C ATOM 0 H ILE A 71 -3.018 13.541 6.899 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.750 14.228 4.143 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.359 11.565 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.679 12.877 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.314 12.980 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.539 10.554 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.044 11.377 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.935 12.149 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.017 11.236 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.097 10.526 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.468 10.421 3.500 1.00 0.00 H new ATOM 1057 N PRO A 72 -6.193 13.922 4.311 1.00 0.00 N ATOM 1058 CA PRO A 72 -7.642 13.782 4.386 1.00 0.00 C ATOM 1059 C PRO A 72 -8.052 12.316 4.440 1.00 0.00 C ATOM 1060 O PRO A 72 -7.422 11.461 3.817 1.00 0.00 O ATOM 1061 CB PRO A 72 -8.122 14.455 3.096 1.00 0.00 C ATOM 1062 CG PRO A 72 -7.043 15.433 2.772 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.770 14.724 3.150 1.00 0.00 C ATOM 0 HA PRO A 72 -8.072 14.228 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.256 13.729 2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.081 14.953 3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.051 15.698 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.164 16.359 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.395 14.100 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.975 15.424 3.407 1.00 0.00 H new ATOM 1071 N CYS A 73 -9.112 12.029 5.189 1.00 0.00 N ATOM 1072 CA CYS A 73 -9.677 10.686 5.236 1.00 0.00 C ATOM 1073 C CYS A 73 -10.841 10.543 4.265 1.00 0.00 C ATOM 1074 O CYS A 73 -11.969 10.929 4.572 1.00 0.00 O ATOM 1075 CB CYS A 73 -10.155 10.353 6.650 1.00 0.00 C ATOM 1076 SG CYS A 73 -10.940 8.731 6.802 1.00 0.00 S ATOM 0 H CYS A 73 -9.597 12.710 5.773 1.00 0.00 H new ATOM 0 HA CYS A 73 -8.890 9.990 4.945 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.304 10.398 7.330 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.861 11.118 6.973 1.00 0.00 H new ATOM 0 HG CYS A 73 -10.205 7.836 6.210 1.00 0.00 H new ATOM 1082 N GLU A 74 -10.561 9.986 3.092 1.00 0.00 N ATOM 1083 CA GLU A 74 -11.584 9.794 2.071 1.00 0.00 C ATOM 1084 C GLU A 74 -12.275 8.446 2.229 1.00 0.00 C ATOM 1085 O GLU A 74 -11.634 7.397 2.164 1.00 0.00 O ATOM 1086 CB GLU A 74 -10.970 9.901 0.673 1.00 0.00 C ATOM 1087 CG GLU A 74 -11.987 9.939 -0.459 1.00 0.00 C ATOM 1088 CD GLU A 74 -12.823 11.188 -0.452 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.478 12.109 0.249 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -13.810 11.222 -1.149 1.00 0.00 O ATOM 0 H GLU A 74 -9.633 9.659 2.824 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.330 10.579 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.358 10.802 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.302 9.054 0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.465 9.863 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.640 9.070 -0.383 1.00 0.00 H new ATOM 1097 N THR A 75 -13.587 8.479 2.439 1.00 0.00 N ATOM 1098 CA THR A 75 -14.351 7.268 2.707 1.00 0.00 C ATOM 1099 C THR A 75 -15.054 6.771 1.449 1.00 0.00 C ATOM 1100 O THR A 75 -15.675 5.708 1.454 1.00 0.00 O ATOM 1101 CB THR A 75 -15.388 7.501 3.821 1.00 0.00 C ATOM 1102 OG1 THR A 75 -16.318 8.511 3.408 1.00 0.00 O ATOM 1103 CG2 THR A 75 -14.702 7.943 5.105 1.00 0.00 C ATOM 0 H THR A 75 -14.143 9.334 2.428 1.00 0.00 H new ATOM 0 HA THR A 75 -13.644 6.507 3.038 1.00 0.00 H new ATOM 0 HB THR A 75 -15.916 6.565 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.978 8.657 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.451 8.103 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.003 7.171 5.428 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.160 8.872 4.927 1.00 0.00 H new ATOM 1111 N ASP A 76 -14.952 7.546 0.375 1.00 0.00 N ATOM 1112 CA ASP A 76 -15.595 7.197 -0.885 1.00 0.00 C ATOM 1113 C ASP A 76 -14.569 6.759 -1.924 1.00 0.00 C ATOM 1114 O ASP A 76 -13.439 7.247 -1.936 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.401 8.381 -1.423 1.00 0.00 C ATOM 1116 CG ASP A 76 -17.591 8.737 -0.541 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -18.335 7.850 -0.194 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -17.743 9.891 -0.222 1.00 0.00 O ATOM 0 H ASP A 76 -14.429 8.421 0.352 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.270 6.363 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.748 9.249 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.756 8.146 -2.426 1.00 0.00 H new ATOM 1123 N ASN A 77 -14.970 5.839 -2.793 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.355 5.384 -2.844 1.00 0.00 C ATOM 1125 C ASN A 77 -16.529 4.066 -2.102 1.00 0.00 C ATOM 1126 O ASN A 77 -17.537 3.850 -1.429 1.00 0.00 O ATOM 1127 CB ASN A 77 -16.821 5.254 -4.282 1.00 0.00 C ATOM 1128 CG ASN A 77 -16.945 6.583 -4.973 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -17.773 7.419 -4.594 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -16.138 6.795 -5.981 1.00 0.00 N ATOM 0 H ASN A 77 -14.355 5.392 -3.473 1.00 0.00 H new ATOM 0 HA ASN A 77 -16.973 6.132 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.119 4.627 -4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.786 4.747 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.177 7.679 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.470 6.076 -6.259 1.00 0.00 H new ATOM 1137 N ASN A 78 -15.542 3.186 -2.228 1.00 0.00 N ATOM 1138 CA ASN A 78 -15.608 1.866 -1.613 1.00 0.00 C ATOM 1139 C ASN A 78 -15.253 1.931 -0.132 1.00 0.00 C ATOM 1140 O ASN A 78 -14.520 2.819 0.302 1.00 0.00 O ATOM 1141 CB ASN A 78 -14.697 0.892 -2.338 1.00 0.00 C ATOM 1142 CG ASN A 78 -15.218 0.519 -3.698 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.419 0.631 -3.970 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -14.337 0.078 -4.560 1.00 0.00 N ATOM 0 H ASN A 78 -14.685 3.364 -2.752 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.634 1.508 -1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.706 1.334 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.583 -0.010 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.632 -0.189 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.356 0.002 -4.293 1.00 0.00 H new ATOM 1151 N PRO A 79 -15.776 0.983 0.638 1.00 0.00 N ATOM 1152 CA PRO A 79 -15.558 0.961 2.080 1.00 0.00 C ATOM 1153 C PRO A 79 -14.143 0.509 2.415 1.00 0.00 C ATOM 1154 O PRO A 79 -13.404 0.051 1.544 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.604 -0.045 2.570 1.00 0.00 C ATOM 1156 CG PRO A 79 -16.797 -0.966 1.415 1.00 0.00 C ATOM 1157 CD PRO A 79 -16.719 -0.071 0.206 1.00 0.00 C ATOM 0 HA PRO A 79 -15.659 1.940 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.257 -0.581 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.535 0.451 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.027 -1.737 1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.758 -1.477 1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.353 -0.606 -0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.694 0.341 -0.056 1.00 0.00 H new ATOM 1165 N HIS A 80 -13.771 0.639 3.684 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.401 0.378 4.112 1.00 0.00 C ATOM 1167 C HIS A 80 -12.351 -0.746 5.139 1.00 0.00 C ATOM 1168 O HIS A 80 -12.023 -0.521 6.304 1.00 0.00 O ATOM 1169 CB HIS A 80 -11.768 1.643 4.700 1.00 0.00 C ATOM 1170 CG HIS A 80 -11.665 2.774 3.723 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -10.844 2.728 2.616 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -12.278 3.979 3.688 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -10.958 3.859 1.941 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -11.822 4.634 2.571 1.00 0.00 N ATOM 0 H HIS A 80 -14.400 0.924 4.435 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.834 0.071 3.233 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.356 1.968 5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.771 1.402 5.070 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -12.993 4.356 4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.434 4.107 1.030 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.105 5.568 2.275 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.676 -1.957 4.700 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.526 -3.141 5.537 1.00 0.00 C ATOM 1183 C ARG A 81 -11.091 -3.653 5.514 1.00 0.00 C ATOM 1184 O ARG A 81 -10.413 -3.584 4.489 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.462 -4.247 5.072 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.934 -4.001 5.362 1.00 0.00 C ATOM 1187 CD ARG A 81 -15.765 -5.188 5.030 1.00 0.00 C ATOM 1188 NE ARG A 81 -17.176 -4.953 5.291 1.00 0.00 N ATOM 1189 CZ ARG A 81 -17.755 -5.043 6.504 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -17.034 -5.364 7.555 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -19.049 -4.809 6.637 1.00 0.00 N ATOM 0 H ARG A 81 -13.046 -2.144 3.768 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.781 -2.855 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.336 -4.383 3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.163 -5.181 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.061 -3.751 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.280 -3.142 4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.628 -5.445 3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.425 -6.044 5.614 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.769 -4.702 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.035 -5.545 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.473 -5.432 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.609 -4.560 5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.488 -4.877 7.555 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.633 -4.167 6.651 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.266 -4.654 6.775 1.00 0.00 C ATOM 1207 C HIS A 82 -9.212 -6.174 6.679 1.00 0.00 C ATOM 1208 O HIS A 82 -9.398 -6.875 7.674 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.646 -4.199 8.100 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.333 -2.735 8.146 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.312 -1.764 8.097 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.154 -2.077 8.235 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -8.746 -0.571 8.155 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -7.438 -0.734 8.238 1.00 0.00 N ATOM 0 H HIS A 82 -11.191 -4.257 7.500 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.692 -4.233 5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.330 -4.441 8.913 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.730 -4.763 8.275 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.314 -1.939 8.027 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.173 -2.525 8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.265 0.376 8.137 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.957 -6.677 5.477 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.876 -8.115 5.250 1.00 0.00 C ATOM 1223 C VAL A 83 -7.429 -8.568 5.104 1.00 0.00 C ATOM 1224 O VAL A 83 -6.500 -7.794 5.334 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.661 -8.502 3.982 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.131 -8.138 4.135 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.059 -7.812 2.769 1.00 0.00 C ATOM 0 H VAL A 83 -8.803 -6.110 4.644 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.313 -8.612 6.116 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.592 -9.580 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.671 -8.418 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.551 -8.671 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.225 -7.064 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.619 -8.091 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.106 -6.731 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.019 -8.118 2.655 1.00 0.00 H new ATOM 1237 N THR A 84 -7.244 -9.828 4.722 1.00 0.00 N ATOM 1238 CA THR A 84 -5.910 -10.402 4.596 1.00 0.00 C ATOM 1239 C THR A 84 -5.041 -9.575 3.656 1.00 0.00 C ATOM 1240 O THR A 84 -5.261 -9.559 2.445 1.00 0.00 O ATOM 1241 CB THR A 84 -5.977 -11.856 4.093 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.799 -12.632 4.975 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.585 -12.466 4.035 1.00 0.00 C ATOM 0 H THR A 84 -8.002 -10.471 4.494 1.00 0.00 H new ATOM 0 HA THR A 84 -5.460 -10.393 5.589 1.00 0.00 H new ATOM 0 HB THR A 84 -6.405 -11.858 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.842 -13.557 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.653 -13.493 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.961 -11.885 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.142 -12.457 5.031 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.053 -8.890 4.222 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.034 -8.217 3.425 1.00 0.00 C ATOM 1253 C GLY A 85 -3.396 -6.757 3.187 1.00 0.00 C ATOM 1254 O GLY A 85 -2.626 -6.007 2.587 1.00 0.00 O ATOM 0 H GLY A 85 -3.936 -8.786 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.072 -8.278 3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.921 -8.727 2.468 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.571 -6.358 3.662 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.078 -5.012 3.424 1.00 0.00 C ATOM 1260 C ALA A 86 -4.101 -3.958 3.930 1.00 0.00 C ATOM 1261 O ALA A 86 -3.495 -4.118 4.990 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.437 -4.834 4.083 1.00 0.00 C ATOM 0 H ALA A 86 -5.191 -6.949 4.215 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.189 -4.879 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.802 -3.824 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.140 -5.557 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.344 -4.994 5.157 1.00 0.00 H new ATOM 1268 N MET A 87 -3.952 -2.881 3.166 1.00 0.00 N ATOM 1269 CA MET A 87 -3.064 -1.790 3.546 1.00 0.00 C ATOM 1270 C MET A 87 -3.831 -0.482 3.697 1.00 0.00 C ATOM 1271 O MET A 87 -4.567 -0.076 2.797 1.00 0.00 O ATOM 1272 CB MET A 87 -1.946 -1.637 2.517 1.00 0.00 C ATOM 1273 CG MET A 87 -0.971 -2.805 2.468 1.00 0.00 C ATOM 1274 SD MET A 87 0.331 -2.572 1.242 1.00 0.00 S ATOM 1275 CE MET A 87 1.221 -1.189 1.950 1.00 0.00 C ATOM 0 H MET A 87 -4.436 -2.741 2.279 1.00 0.00 H new ATOM 0 HA MET A 87 -2.623 -2.033 4.513 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.392 -1.510 1.530 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.390 -0.725 2.735 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.519 -2.938 3.451 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.518 -3.720 2.242 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.060 -0.301 1.339 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.860 -1.003 2.962 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.286 -1.419 1.982 1.00 0.00 H new ATOM 1285 N SER A 88 -3.654 0.173 4.839 1.00 0.00 N ATOM 1286 CA SER A 88 -4.438 1.357 5.173 1.00 0.00 C ATOM 1287 C SER A 88 -3.565 2.440 5.791 1.00 0.00 C ATOM 1288 O SER A 88 -2.530 2.150 6.392 1.00 0.00 O ATOM 1289 CB SER A 88 -5.557 0.989 6.127 1.00 0.00 C ATOM 1290 OG SER A 88 -5.044 0.546 7.354 1.00 0.00 O ATOM 0 H SER A 88 -2.974 -0.096 5.550 1.00 0.00 H new ATOM 0 HA SER A 88 -4.865 1.750 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.201 1.853 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.176 0.209 5.684 1.00 0.00 H new ATOM 0 HG SER A 88 -5.753 0.100 7.863 1.00 0.00 H new ATOM 1296 N MET A 89 -3.987 3.691 5.642 1.00 0.00 N ATOM 1297 CA MET A 89 -3.259 4.819 6.209 1.00 0.00 C ATOM 1298 C MET A 89 -3.711 5.105 7.635 1.00 0.00 C ATOM 1299 O MET A 89 -4.902 5.054 7.941 1.00 0.00 O ATOM 1300 CB MET A 89 -3.438 6.058 5.333 1.00 0.00 C ATOM 1301 CG MET A 89 -2.922 5.903 3.910 1.00 0.00 C ATOM 1302 SD MET A 89 -1.141 5.627 3.843 1.00 0.00 S ATOM 1303 CE MET A 89 -0.530 7.257 4.264 1.00 0.00 C ATOM 0 H MET A 89 -4.832 3.949 5.132 1.00 0.00 H new ATOM 0 HA MET A 89 -2.201 4.559 6.239 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.497 6.312 5.296 1.00 0.00 H new ATOM 0 HB3 MET A 89 -2.925 6.897 5.803 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.433 5.068 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.169 6.798 3.339 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.073 7.713 3.385 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.357 7.878 4.606 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.213 7.173 5.057 1.00 0.00 H new ATOM 1313 N ALA A 90 -2.752 5.408 8.505 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.055 5.743 9.891 1.00 0.00 C ATOM 1315 C ALA A 90 -3.605 7.158 10.009 1.00 0.00 C ATOM 1316 O ALA A 90 -3.027 8.106 9.476 1.00 0.00 O ATOM 1317 CB ALA A 90 -1.813 5.584 10.757 1.00 0.00 C ATOM 0 H ALA A 90 -1.759 5.428 8.274 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.822 5.054 10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.054 5.838 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.465 4.552 10.709 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.029 6.248 10.394 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.725 7.296 10.710 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.331 8.603 10.936 1.00 0.00 C ATOM 1325 C HIS A 91 -6.225 8.588 12.169 1.00 0.00 C ATOM 1326 O HIS A 91 -6.406 7.549 12.806 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.144 9.041 9.714 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.386 8.234 9.496 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.553 8.461 10.194 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -7.642 7.200 8.659 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.475 7.602 9.795 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -8.948 6.826 8.865 1.00 0.00 N ATOM 0 H HIS A 91 -5.232 6.518 11.132 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.523 9.316 11.101 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.418 10.090 9.828 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.515 8.971 8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.950 6.753 7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.487 7.544 10.166 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.432 6.071 8.379 1.00 0.00 H new ATOM 1339 N ARG A 92 -6.784 9.747 12.502 1.00 0.00 N ATOM 1340 CA ARG A 92 -7.719 9.855 13.617 1.00 0.00 C ATOM 1341 C ARG A 92 -8.944 10.673 13.231 1.00 0.00 C ATOM 1342 O ARG A 92 -9.514 11.383 14.060 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.043 10.494 14.821 1.00 0.00 C ATOM 1344 CG ARG A 92 -5.866 9.715 15.383 1.00 0.00 C ATOM 1345 CD ARG A 92 -6.303 8.453 16.035 1.00 0.00 C ATOM 1346 NE ARG A 92 -5.198 7.766 16.683 1.00 0.00 N ATOM 1347 CZ ARG A 92 -4.361 6.909 16.066 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -4.517 6.646 14.788 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -3.384 6.334 16.745 1.00 0.00 N ATOM 0 H ARG A 92 -6.606 10.626 12.015 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.040 8.846 13.876 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.700 11.490 14.540 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.784 10.623 15.610 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.165 9.486 14.581 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.333 10.332 16.106 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.075 8.674 16.772 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.752 7.796 15.290 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.045 7.945 17.675 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.271 7.090 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.884 5.997 14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.263 6.539 17.737 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.751 5.685 16.277 1.00 0.00 H new ATOM 1363 N GLY A 93 -9.344 10.571 11.968 1.00 0.00 N ATOM 1364 CA GLY A 93 -10.474 11.339 11.458 1.00 0.00 C ATOM 1365 C GLY A 93 -10.125 12.027 10.145 1.00 0.00 C ATOM 1366 O GLY A 93 -9.083 11.754 9.548 1.00 0.00 O ATOM 0 H GLY A 93 -8.902 9.963 11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.328 10.679 11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.772 12.085 12.195 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.001 12.921 9.699 1.00 0.00 N ATOM 1371 CA ARG A 94 -10.801 13.628 8.441 1.00 0.00 C ATOM 1372 C ARG A 94 -9.651 14.623 8.545 1.00 0.00 C ATOM 1373 O ARG A 94 -9.670 15.523 9.386 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.069 14.365 8.033 1.00 0.00 C ATOM 1375 CG ARG A 94 -11.965 15.146 6.733 1.00 0.00 C ATOM 1376 CD ARG A 94 -12.146 14.268 5.549 1.00 0.00 C ATOM 1377 NE ARG A 94 -12.100 15.020 4.304 1.00 0.00 N ATOM 1378 CZ ARG A 94 -12.212 14.476 3.077 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -12.376 13.178 2.946 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -12.156 15.246 2.005 1.00 0.00 N ATOM 0 H ARG A 94 -11.858 13.173 10.192 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.555 12.884 7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.879 13.641 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.345 15.053 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.718 15.934 6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.992 15.634 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.368 13.504 5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.101 13.749 5.625 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.974 16.030 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.418 12.583 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.461 12.766 2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.028 16.253 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.241 14.834 1.076 1.00 0.00 H new ATOM 1394 N ASP A 95 -8.652 14.456 7.685 1.00 0.00 N ATOM 1395 CA ASP A 95 -7.545 15.401 7.605 1.00 0.00 C ATOM 1396 C ASP A 95 -6.661 15.321 8.842 1.00 0.00 C ATOM 1397 O ASP A 95 -6.308 16.342 9.433 1.00 0.00 O ATOM 1398 CB ASP A 95 -8.070 16.830 7.438 1.00 0.00 C ATOM 1399 CG ASP A 95 -7.041 17.771 6.825 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -6.072 17.292 6.287 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -7.236 18.961 6.902 1.00 0.00 O ATOM 0 H ASP A 95 -8.587 13.674 7.033 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.946 15.134 6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.960 16.814 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.374 17.216 8.411 1.00 0.00 H new ATOM 1406 N THR A 96 -6.304 14.101 9.230 1.00 0.00 N ATOM 1407 CA THR A 96 -5.426 13.887 10.374 1.00 0.00 C ATOM 1408 C THR A 96 -4.408 12.790 10.089 1.00 0.00 C ATOM 1409 O THR A 96 -3.580 12.462 10.939 1.00 0.00 O ATOM 1410 CB THR A 96 -6.234 13.527 11.634 1.00 0.00 C ATOM 1411 OG1 THR A 96 -6.994 12.335 11.393 1.00 0.00 O ATOM 1412 CG2 THR A 96 -7.179 14.660 12.003 1.00 0.00 C ATOM 0 H THR A 96 -6.610 13.245 8.768 1.00 0.00 H new ATOM 0 HA THR A 96 -4.894 14.822 10.552 1.00 0.00 H new ATOM 0 HB THR A 96 -5.540 13.363 12.458 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.607 12.484 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.742 14.388 12.896 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.603 15.565 12.198 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.870 14.840 11.179 1.00 0.00 H new ATOM 1420 N GLY A 97 -4.474 12.225 8.888 1.00 0.00 N ATOM 1421 CA GLY A 97 -3.675 11.055 8.547 1.00 0.00 C ATOM 1422 C GLY A 97 -2.204 11.418 8.391 1.00 0.00 C ATOM 1423 O GLY A 97 -1.868 12.550 8.043 1.00 0.00 O ATOM 0 H GLY A 97 -5.074 12.560 8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.785 10.298 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.044 10.617 7.620 1.00 0.00 H new ATOM 1427 N SER A 98 -1.331 10.451 8.651 1.00 0.00 N ATOM 1428 CA SER A 98 0.099 10.631 8.430 1.00 0.00 C ATOM 1429 C SER A 98 0.630 9.624 7.417 1.00 0.00 C ATOM 1430 O SER A 98 -0.125 8.819 6.873 1.00 0.00 O ATOM 1431 CB SER A 98 0.852 10.490 9.739 1.00 0.00 C ATOM 1432 OG SER A 98 0.932 9.147 10.130 1.00 0.00 O ATOM 0 H SER A 98 -1.589 9.534 9.015 1.00 0.00 H new ATOM 0 HA SER A 98 0.254 11.633 8.030 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.856 10.902 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.351 11.069 10.515 1.00 0.00 H new ATOM 0 HG SER A 98 1.423 9.081 10.975 1.00 0.00 H new ATOM 1438 N CYS A 99 1.934 9.675 7.169 1.00 0.00 N ATOM 1439 CA CYS A 99 2.575 8.748 6.243 1.00 0.00 C ATOM 1440 C CYS A 99 2.604 7.335 6.812 1.00 0.00 C ATOM 1441 O CYS A 99 2.776 6.363 6.075 1.00 0.00 O ATOM 1442 CB CYS A 99 4.002 9.197 5.933 1.00 0.00 C ATOM 1443 SG CYS A 99 5.112 9.169 7.362 1.00 0.00 S ATOM 0 H CYS A 99 2.569 10.349 7.597 1.00 0.00 H new ATOM 0 HA CYS A 99 1.989 8.746 5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.413 8.554 5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.973 10.209 5.528 1.00 0.00 H new ATOM 0 HG CYS A 99 5.351 7.937 7.702 1.00 0.00 H new ATOM 1449 N GLN A 100 2.436 7.227 8.125 1.00 0.00 N ATOM 1450 CA GLN A 100 2.367 5.929 8.785 1.00 0.00 C ATOM 1451 C GLN A 100 1.159 5.132 8.309 1.00 0.00 C ATOM 1452 O GLN A 100 0.089 5.693 8.072 1.00 0.00 O ATOM 1453 CB GLN A 100 2.314 6.102 10.304 1.00 0.00 C ATOM 1454 CG GLN A 100 2.550 4.820 11.086 1.00 0.00 C ATOM 1455 CD GLN A 100 2.529 5.045 12.586 1.00 0.00 C ATOM 1456 OE1 GLN A 100 1.465 5.066 13.210 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.708 5.213 13.174 1.00 0.00 N ATOM 0 H GLN A 100 2.345 8.024 8.754 1.00 0.00 H new ATOM 0 HA GLN A 100 3.268 5.374 8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.061 6.838 10.601 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.340 6.508 10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.786 4.090 10.820 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.511 4.394 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.563 5.188 12.619 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.758 5.367 14.181 1.00 0.00 H new ATOM 1466 N PHE A 101 1.336 3.823 8.172 1.00 0.00 N ATOM 1467 CA PHE A 101 0.308 2.968 7.590 1.00 0.00 C ATOM 1468 C PHE A 101 0.332 1.577 8.211 1.00 0.00 C ATOM 1469 O PHE A 101 1.238 1.244 8.975 1.00 0.00 O ATOM 1470 CB PHE A 101 0.499 2.859 6.076 1.00 0.00 C ATOM 1471 CG PHE A 101 1.799 2.224 5.673 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.974 2.962 5.663 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.851 0.889 5.303 1.00 0.00 C ATOM 1474 CE1 PHE A 101 4.171 2.381 5.292 1.00 0.00 C ATOM 1475 CE2 PHE A 101 3.048 0.304 4.931 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.208 1.050 4.926 1.00 0.00 C ATOM 0 H PHE A 101 2.183 3.330 8.456 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.660 3.424 7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.323 2.279 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.442 3.856 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.952 4.003 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.946 0.299 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.078 2.968 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.074 -0.737 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.143 0.594 4.636 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.669 0.769 7.879 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.750 -0.597 8.382 1.00 0.00 C ATOM 1488 C PHE A 102 -0.676 -1.609 7.246 1.00 0.00 C ATOM 1489 O PHE A 102 -1.277 -1.415 6.189 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.047 -0.801 9.168 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.170 0.087 10.374 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.640 1.385 10.254 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -1.814 -0.376 11.632 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -2.753 2.202 11.363 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -1.927 0.438 12.743 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.397 1.729 12.608 1.00 0.00 C ATOM 0 H PHE A 102 -1.436 1.037 7.263 1.00 0.00 H new ATOM 0 HA PHE A 102 0.102 -0.757 9.043 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.894 -0.620 8.507 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.108 -1.842 9.487 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.921 1.763 9.282 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.444 -1.384 11.745 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.120 3.212 11.254 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.648 0.064 13.717 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.486 2.367 13.475 1.00 0.00 H new ATOM 1506 N ILE A 103 0.066 -2.688 7.469 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.036 -3.875 6.628 1.00 0.00 C ATOM 1508 C ILE A 103 -0.682 -5.030 7.381 1.00 0.00 C ATOM 1509 O ILE A 103 -0.061 -5.644 8.249 1.00 0.00 O ATOM 1510 CB ILE A 103 1.351 -4.306 6.117 1.00 0.00 C ATOM 1511 CG1 ILE A 103 2.011 -3.166 5.337 1.00 0.00 C ATOM 1512 CG2 ILE A 103 1.236 -5.551 5.251 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.425 -3.467 4.893 1.00 0.00 C ATOM 0 H ILE A 103 0.745 -2.765 8.226 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.665 -3.616 5.776 1.00 0.00 H new ATOM 0 HB ILE A 103 1.978 -4.543 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.405 -2.941 4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.018 -2.270 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.226 -5.842 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.807 -6.363 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.593 -5.341 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.825 -2.612 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.047 -3.663 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.424 -4.343 4.245 1.00 0.00 H new ATOM 1525 N VAL A 104 -1.934 -5.324 7.043 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.714 -6.311 7.778 1.00 0.00 C ATOM 1527 C VAL A 104 -2.249 -7.727 7.462 1.00 0.00 C ATOM 1528 O VAL A 104 -1.965 -8.055 6.310 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.209 -6.175 7.433 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.010 -7.292 8.087 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.721 -4.814 7.876 1.00 0.00 C ATOM 0 H VAL A 104 -2.430 -4.891 6.263 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.566 -6.125 8.842 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.332 -6.259 6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.064 -7.181 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.650 -8.256 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.890 -7.240 9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.779 -4.725 7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.590 -4.709 8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.162 -4.031 7.364 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.174 -8.563 8.492 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.820 -9.967 8.315 1.00 0.00 C ATOM 1543 C HIS A 105 -3.060 -10.825 8.100 1.00 0.00 C ATOM 1544 O HIS A 105 -3.554 -10.947 6.979 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.038 -10.484 9.528 1.00 0.00 C ATOM 1546 CG HIS A 105 0.258 -9.770 9.756 1.00 0.00 C ATOM 1547 ND1 HIS A 105 1.171 -10.175 10.707 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.792 -8.679 9.160 1.00 0.00 C ATOM 1549 CE1 HIS A 105 2.214 -9.363 10.684 1.00 0.00 C ATOM 1550 NE2 HIS A 105 2.008 -8.447 9.756 1.00 0.00 N ATOM 0 H HIS A 105 -2.354 -8.293 9.459 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.191 -10.038 7.428 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.659 -10.385 10.419 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -0.839 -11.547 9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.346 -8.099 8.365 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.086 -9.437 11.317 1.00 0.00 H new ATOM 0 HE2 HIS A 105 2.648 -7.689 9.520 1.00 0.00 H new ATOM 1557 N GLU A 106 -3.557 -11.418 9.179 1.00 0.00 N ATOM 1558 CA GLU A 106 -4.899 -11.990 9.190 1.00 0.00 C ATOM 1559 C GLU A 106 -5.963 -10.900 9.218 1.00 0.00 C ATOM 1560 O GLU A 106 -5.706 -9.781 9.664 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.074 -12.918 10.393 1.00 0.00 C ATOM 1562 CG GLU A 106 -4.174 -14.145 10.375 1.00 0.00 C ATOM 1563 CD GLU A 106 -4.438 -15.081 11.522 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -4.307 -14.662 12.647 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -4.769 -16.216 11.273 1.00 0.00 O ATOM 0 H GLU A 106 -3.050 -11.516 10.059 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.022 -12.566 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.879 -12.353 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.113 -13.245 10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.316 -14.680 9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.132 -13.826 10.405 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.157 -11.232 8.741 1.00 0.00 N ATOM 1573 CA PRO A 107 -8.257 -10.276 8.694 1.00 0.00 C ATOM 1574 C PRO A 107 -8.514 -9.665 10.066 1.00 0.00 C ATOM 1575 O PRO A 107 -8.434 -10.349 11.085 1.00 0.00 O ATOM 1576 CB PRO A 107 -9.439 -11.132 8.227 1.00 0.00 C ATOM 1577 CG PRO A 107 -8.810 -12.205 7.405 1.00 0.00 C ATOM 1578 CD PRO A 107 -7.528 -12.528 8.126 1.00 0.00 C ATOM 0 HA PRO A 107 -8.063 -9.427 8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.988 -11.548 9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.149 -10.546 7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.456 -13.080 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.618 -11.865 6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.672 -13.305 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.759 -12.885 7.441 1.00 0.00 H new ATOM 1586 N GLN A 108 -8.823 -8.372 10.083 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.092 -7.667 11.329 1.00 0.00 C ATOM 1588 C GLN A 108 -10.432 -6.943 11.275 1.00 0.00 C ATOM 1589 O GLN A 108 -10.501 -5.772 10.904 1.00 0.00 O ATOM 1590 CB GLN A 108 -7.972 -6.668 11.633 1.00 0.00 C ATOM 1591 CG GLN A 108 -6.584 -7.284 11.676 1.00 0.00 C ATOM 1592 CD GLN A 108 -6.426 -8.274 12.814 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -6.772 -7.982 13.962 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -5.901 -9.453 12.503 1.00 0.00 N ATOM 0 H GLN A 108 -8.893 -7.792 9.247 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.134 -8.409 12.127 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -7.986 -5.883 10.877 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.176 -6.191 12.592 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.383 -7.787 10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -5.841 -6.493 11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.629 -9.652 11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -5.770 -10.160 13.227 1.00 0.00 H new ATOM 1603 N PRO A 109 -11.494 -7.649 11.647 1.00 0.00 N ATOM 1604 CA PRO A 109 -12.845 -7.106 11.558 1.00 0.00 C ATOM 1605 C PRO A 109 -12.975 -5.818 12.362 1.00 0.00 C ATOM 1606 O PRO A 109 -13.748 -4.930 12.008 1.00 0.00 O ATOM 1607 CB PRO A 109 -13.707 -8.228 12.144 1.00 0.00 C ATOM 1608 CG PRO A 109 -12.941 -9.471 11.849 1.00 0.00 C ATOM 1609 CD PRO A 109 -11.500 -9.076 12.037 1.00 0.00 C ATOM 0 HA PRO A 109 -13.135 -6.835 10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -13.856 -8.097 13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -14.696 -8.251 11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.222 -10.280 12.523 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.128 -9.822 10.834 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.175 -9.214 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.834 -9.669 11.410 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.211 -5.723 13.446 1.00 0.00 N ATOM 1618 CA HIS A 110 -12.350 -4.618 14.386 1.00 0.00 C ATOM 1619 C HIS A 110 -11.719 -3.345 13.836 1.00 0.00 C ATOM 1620 O HIS A 110 -11.891 -2.263 14.396 1.00 0.00 O ATOM 1621 CB HIS A 110 -11.710 -4.970 15.733 1.00 0.00 C ATOM 1622 CG HIS A 110 -10.241 -5.246 15.648 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -9.288 -4.307 15.985 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -9.562 -6.352 15.264 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -8.084 -4.827 15.812 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -8.224 -6.065 15.376 1.00 0.00 N ATOM 0 H HIS A 110 -11.489 -6.399 13.695 1.00 0.00 H new ATOM 0 HA HIS A 110 -13.416 -4.443 14.532 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.877 -4.149 16.430 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.212 -5.845 16.146 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.992 -7.285 14.932 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -7.146 -4.324 15.996 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -7.461 -6.705 15.157 1.00 0.00 H new ATOM 1633 N LEU A 111 -10.988 -3.482 12.734 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.359 -2.337 12.086 1.00 0.00 C ATOM 1635 C LEU A 111 -11.178 -1.861 10.893 1.00 0.00 C ATOM 1636 O LEU A 111 -10.856 -0.850 10.270 1.00 0.00 O ATOM 1637 CB LEU A 111 -8.941 -2.701 11.628 1.00 0.00 C ATOM 1638 CG LEU A 111 -7.944 -3.029 12.747 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.592 -3.373 12.138 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.833 -1.843 13.693 1.00 0.00 C ATOM 0 H LEU A 111 -10.817 -4.375 12.271 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.308 -1.527 12.813 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.004 -3.560 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.543 -1.871 11.044 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.293 -3.890 13.317 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.884 -3.606 12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.698 -4.237 11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.225 -2.523 11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.125 -2.077 14.488 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.485 -0.969 13.142 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.810 -1.632 14.128 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.239 -2.597 10.578 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.081 -2.277 9.433 1.00 0.00 C ATOM 1654 C ASP A 112 -13.708 -0.897 9.579 1.00 0.00 C ATOM 1655 O ASP A 112 -14.629 -0.704 10.373 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.181 -3.329 9.264 1.00 0.00 C ATOM 1657 CG ASP A 112 -13.640 -4.689 8.845 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -12.443 -4.830 8.760 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.429 -5.573 8.614 1.00 0.00 O ATOM 0 H ASP A 112 -12.536 -3.421 11.101 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.447 -2.277 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.724 -3.433 10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.897 -2.983 8.518 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.205 0.061 8.808 1.00 0.00 N ATOM 1665 CA GLY A 113 -13.760 1.410 8.801 1.00 0.00 C ATOM 1666 C GLY A 113 -12.994 2.326 9.745 1.00 0.00 C ATOM 1667 O GLY A 113 -13.256 3.528 9.809 1.00 0.00 O ATOM 0 H GLY A 113 -12.413 -0.072 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.725 1.815 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -14.809 1.376 9.095 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.046 1.753 10.479 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.260 2.512 11.444 1.00 0.00 C ATOM 1673 C VAL A 114 -10.187 3.341 10.751 1.00 0.00 C ATOM 1674 O VAL A 114 -10.022 4.526 11.037 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.596 1.561 12.459 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.649 2.330 13.368 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.663 0.845 13.272 1.00 0.00 C ATOM 0 H VAL A 114 -11.803 0.764 10.424 1.00 0.00 H new ATOM 0 HA VAL A 114 -11.938 3.187 11.966 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.013 0.816 11.918 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.189 1.643 14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.873 2.804 12.767 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.206 3.094 13.911 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.187 0.175 13.987 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.265 1.579 13.808 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.303 0.268 12.604 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.457 2.708 9.837 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.450 3.405 9.046 1.00 0.00 C ATOM 1689 C HIS A 115 -8.790 3.365 7.562 1.00 0.00 C ATOM 1690 O HIS A 115 -9.688 2.636 7.140 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.064 2.792 9.274 1.00 0.00 C ATOM 1692 CG HIS A 115 -6.539 2.994 10.662 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.108 4.221 11.122 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.372 2.126 11.688 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -5.701 4.098 12.374 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -5.850 2.839 12.739 1.00 0.00 N ATOM 0 H HIS A 115 -9.545 1.714 9.627 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.439 4.445 9.372 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.110 1.723 9.064 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.362 3.227 8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.605 1.072 11.681 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.312 4.893 12.993 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.615 2.457 13.655 1.00 0.00 H new ATOM 1703 N THR A 116 -8.069 4.154 6.774 1.00 0.00 N ATOM 1704 CA THR A 116 -8.406 4.349 5.368 1.00 0.00 C ATOM 1705 C THR A 116 -7.606 3.411 4.474 1.00 0.00 C ATOM 1706 O THR A 116 -6.433 3.656 4.193 1.00 0.00 O ATOM 1707 CB THR A 116 -8.163 5.807 4.936 1.00 0.00 C ATOM 1708 OG1 THR A 116 -8.951 6.686 5.750 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.539 6.000 3.475 1.00 0.00 C ATOM 0 H THR A 116 -7.246 4.670 7.085 1.00 0.00 H new ATOM 0 HA THR A 116 -9.466 4.120 5.257 1.00 0.00 H new ATOM 0 HB THR A 116 -7.105 6.036 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 116 -8.587 7.594 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.361 7.036 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.933 5.341 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.593 5.761 3.336 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.246 2.334 4.030 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.594 1.356 3.169 1.00 0.00 C ATOM 1719 C VAL A 117 -7.346 1.926 1.777 1.00 0.00 C ATOM 1720 O VAL A 117 -8.250 2.482 1.155 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.457 0.085 3.054 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.818 -0.908 2.095 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.645 -0.539 4.429 1.00 0.00 C ATOM 0 H VAL A 117 -9.217 2.117 4.253 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.634 1.106 3.620 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.435 0.357 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.441 -1.800 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.725 -0.453 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.829 -1.184 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.256 -1.437 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.672 -0.801 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.141 0.174 5.087 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.117 1.783 1.295 1.00 0.00 N ATOM 1734 CA PHE A 118 -5.712 2.393 0.035 1.00 0.00 C ATOM 1735 C PHE A 118 -5.121 1.359 -0.914 1.00 0.00 C ATOM 1736 O PHE A 118 -5.023 1.592 -2.119 1.00 0.00 O ATOM 1737 CB PHE A 118 -4.693 3.507 0.283 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.360 3.011 0.764 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.117 2.832 2.118 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.345 2.721 -0.136 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -1.890 2.377 2.562 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.117 2.265 0.306 1.00 0.00 C ATOM 1743 CZ PHE A 118 -0.890 2.093 1.655 1.00 0.00 C ATOM 0 H PHE A 118 -5.382 1.249 1.759 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.603 2.817 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.550 4.068 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.099 4.201 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -3.896 3.051 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.516 2.853 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.714 2.244 3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.335 2.043 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 118 0.069 1.737 2.001 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.729 0.215 -0.364 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.110 -0.842 -1.154 1.00 0.00 C ATOM 1755 C GLY A 119 -4.237 -2.194 -0.461 1.00 0.00 C ATOM 1756 O GLY A 119 -4.901 -2.314 0.567 1.00 0.00 O ATOM 0 H GLY A 119 -4.829 -0.004 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.580 -0.888 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.057 -0.610 -1.315 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.598 -3.208 -1.033 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.599 -4.543 -0.447 1.00 0.00 C ATOM 1762 C GLN A 120 -2.443 -5.381 -0.979 1.00 0.00 C ATOM 1763 O GLN A 120 -2.234 -5.469 -2.189 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.929 -5.250 -0.727 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.047 -6.626 -0.096 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.324 -7.339 -0.498 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.063 -6.874 -1.369 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.590 -8.476 0.136 1.00 0.00 N ATOM 0 H GLN A 120 -3.072 -3.131 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.474 -4.433 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.744 -4.624 -0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.057 -5.345 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.189 -7.231 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.014 -6.529 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.950 -8.823 0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.434 -9.001 -0.092 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.694 -5.992 -0.067 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.594 -6.871 -0.446 1.00 0.00 C ATOM 1779 C VAL A 121 -1.105 -8.116 -1.160 1.00 0.00 C ATOM 1780 O VAL A 121 -2.021 -8.785 -0.683 1.00 0.00 O ATOM 1781 CB VAL A 121 0.207 -7.291 0.802 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.293 -8.287 0.427 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.807 -6.063 1.469 1.00 0.00 C ATOM 0 H VAL A 121 -1.829 -5.895 0.939 1.00 0.00 H new ATOM 0 HA VAL A 121 0.053 -6.319 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.466 -7.777 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.849 -8.573 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.837 -9.173 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.973 -7.831 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.372 -6.367 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.472 -5.557 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.008 -5.384 1.767 1.00 0.00 H new ATOM 1793 N THR A 122 -0.506 -8.422 -2.306 1.00 0.00 N ATOM 1794 CA THR A 122 -0.928 -9.562 -3.111 1.00 0.00 C ATOM 1795 C THR A 122 0.167 -10.618 -3.187 1.00 0.00 C ATOM 1796 O THR A 122 -0.101 -11.783 -3.481 1.00 0.00 O ATOM 1797 CB THR A 122 -1.320 -9.120 -4.534 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.186 -8.535 -5.185 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.452 -8.105 -4.484 1.00 0.00 C ATOM 0 H THR A 122 0.274 -7.895 -2.698 1.00 0.00 H new ATOM 0 HA THR A 122 -1.801 -9.997 -2.623 1.00 0.00 H new ATOM 0 HB THR A 122 -1.655 -9.995 -5.091 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.436 -8.256 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.716 -7.804 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.321 -8.552 -4.001 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.132 -7.230 -3.918 1.00 0.00 H new ATOM 1807 N SER A 123 1.401 -10.204 -2.920 1.00 0.00 N ATOM 1808 CA SER A 123 2.532 -11.123 -2.915 1.00 0.00 C ATOM 1809 C SER A 123 3.574 -10.710 -1.882 1.00 0.00 C ATOM 1810 O SER A 123 3.855 -9.524 -1.710 1.00 0.00 O ATOM 1811 CB SER A 123 3.167 -11.177 -4.291 1.00 0.00 C ATOM 1812 OG SER A 123 4.264 -12.048 -4.304 1.00 0.00 O ATOM 0 H SER A 123 1.643 -9.237 -2.704 1.00 0.00 H new ATOM 0 HA SER A 123 2.159 -12.112 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.429 -11.505 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.488 -10.178 -4.587 1.00 0.00 H new ATOM 0 HG SER A 123 4.656 -12.067 -5.202 1.00 0.00 H new ATOM 1818 N GLY A 124 4.142 -11.695 -1.195 1.00 0.00 N ATOM 1819 CA GLY A 124 5.118 -11.433 -0.145 1.00 0.00 C ATOM 1820 C GLY A 124 4.453 -11.363 1.223 1.00 0.00 C ATOM 1821 O GLY A 124 4.991 -10.768 2.156 1.00 0.00 O ATOM 0 H GLY A 124 3.943 -12.684 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.874 -12.218 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.633 -10.494 -0.350 1.00 0.00 H new ATOM 1825 N MET A 125 3.278 -11.973 1.335 1.00 0.00 N ATOM 1826 CA MET A 125 2.570 -12.043 2.608 1.00 0.00 C ATOM 1827 C MET A 125 3.403 -12.757 3.664 1.00 0.00 C ATOM 1828 O MET A 125 3.314 -12.450 4.852 1.00 0.00 O ATOM 1829 CB MET A 125 1.225 -12.744 2.425 1.00 0.00 C ATOM 1830 CG MET A 125 0.168 -11.906 1.720 1.00 0.00 C ATOM 1831 SD MET A 125 -0.245 -10.403 2.627 1.00 0.00 S ATOM 1832 CE MET A 125 -0.865 -11.091 4.159 1.00 0.00 C ATOM 0 H MET A 125 2.796 -12.426 0.559 1.00 0.00 H new ATOM 0 HA MET A 125 2.394 -11.025 2.954 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.382 -13.661 1.857 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.846 -13.036 3.404 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.525 -11.639 0.725 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.733 -12.504 1.585 1.00 0.00 H new ATOM 0 HE1 MET A 125 -1.687 -10.477 4.527 1.00 0.00 H new ATOM 0 HE2 MET A 125 -1.220 -12.106 3.984 1.00 0.00 H new ATOM 0 HE3 MET A 125 -0.066 -11.109 4.900 1.00 0.00 H new ATOM 1842 N ASP A 126 4.214 -13.714 3.223 1.00 0.00 N ATOM 1843 CA ASP A 126 5.158 -14.386 4.108 1.00 0.00 C ATOM 1844 C ASP A 126 6.139 -13.396 4.721 1.00 0.00 C ATOM 1845 O ASP A 126 6.366 -13.400 5.931 1.00 0.00 O ATOM 1846 CB ASP A 126 5.925 -15.472 3.349 1.00 0.00 C ATOM 1847 CG ASP A 126 5.067 -16.688 3.027 1.00 0.00 C ATOM 1848 OD1 ASP A 126 3.995 -16.797 3.574 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.492 -17.497 2.238 1.00 0.00 O ATOM 0 H ASP A 126 4.236 -14.041 2.257 1.00 0.00 H new ATOM 0 HA ASP A 126 4.586 -14.848 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.315 -15.053 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.783 -15.786 3.943 1.00 0.00 H new ATOM 1854 N VAL A 127 6.721 -12.548 3.878 1.00 0.00 N ATOM 1855 CA VAL A 127 7.632 -11.511 4.343 1.00 0.00 C ATOM 1856 C VAL A 127 6.936 -10.556 5.305 1.00 0.00 C ATOM 1857 O VAL A 127 7.510 -10.150 6.315 1.00 0.00 O ATOM 1858 CB VAL A 127 8.190 -10.715 3.148 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.986 -9.512 3.634 1.00 0.00 C ATOM 1860 CG2 VAL A 127 9.054 -11.619 2.282 1.00 0.00 C ATOM 0 H VAL A 127 6.577 -12.560 2.868 1.00 0.00 H new ATOM 0 HA VAL A 127 8.450 -12.001 4.870 1.00 0.00 H new ATOM 0 HB VAL A 127 7.357 -10.349 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.373 -8.961 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.339 -8.861 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.817 -9.851 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.445 -11.050 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.883 -12.006 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.454 -12.450 1.911 1.00 0.00 H new ATOM 1870 N VAL A 128 5.697 -10.200 4.985 1.00 0.00 N ATOM 1871 CA VAL A 128 4.890 -9.359 5.860 1.00 0.00 C ATOM 1872 C VAL A 128 4.750 -9.979 7.244 1.00 0.00 C ATOM 1873 O VAL A 128 5.020 -9.333 8.256 1.00 0.00 O ATOM 1874 CB VAL A 128 3.491 -9.143 5.253 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.566 -8.487 6.268 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.598 -8.295 3.995 1.00 0.00 C ATOM 0 H VAL A 128 5.229 -10.482 4.124 1.00 0.00 H new ATOM 0 HA VAL A 128 5.398 -8.399 5.957 1.00 0.00 H new ATOM 0 HB VAL A 128 3.068 -10.111 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.582 -8.342 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.476 -9.127 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.977 -7.522 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.605 -8.146 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.035 -7.328 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.231 -8.802 3.267 1.00 0.00 H new ATOM 1886 N ARG A 129 4.326 -11.238 7.282 1.00 0.00 N ATOM 1887 CA ARG A 129 4.028 -11.909 8.543 1.00 0.00 C ATOM 1888 C ARG A 129 5.300 -12.174 9.338 1.00 0.00 C ATOM 1889 O ARG A 129 5.278 -12.208 10.568 1.00 0.00 O ATOM 1890 CB ARG A 129 3.307 -13.225 8.292 1.00 0.00 C ATOM 1891 CG ARG A 129 1.871 -13.085 7.812 1.00 0.00 C ATOM 1892 CD ARG A 129 1.264 -14.406 7.506 1.00 0.00 C ATOM 1893 NE ARG A 129 -0.111 -14.277 7.047 1.00 0.00 N ATOM 1894 CZ ARG A 129 -0.866 -15.299 6.601 1.00 0.00 C ATOM 1895 NH1 ARG A 129 -0.369 -16.516 6.559 1.00 0.00 N ATOM 1896 NH2 ARG A 129 -2.108 -15.079 6.206 1.00 0.00 N ATOM 0 H ARG A 129 4.181 -11.815 6.453 1.00 0.00 H new ATOM 0 HA ARG A 129 3.383 -11.248 9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.869 -13.795 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.312 -13.807 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.279 -12.581 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.844 -12.457 6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.856 -14.910 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.292 -15.034 8.397 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.532 -13.348 7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.589 -16.686 6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.942 -17.289 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.494 -14.135 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.680 -15.853 5.868 1.00 0.00 H new ATOM 1910 N THR A 130 6.408 -12.362 8.629 1.00 0.00 N ATOM 1911 CA THR A 130 7.691 -12.626 9.268 1.00 0.00 C ATOM 1912 C THR A 130 8.505 -11.347 9.420 1.00 0.00 C ATOM 1913 O THR A 130 9.701 -11.392 9.709 1.00 0.00 O ATOM 1914 CB THR A 130 8.503 -13.665 8.472 1.00 0.00 C ATOM 1915 OG1 THR A 130 8.734 -13.179 7.144 1.00 0.00 O ATOM 1916 CG2 THR A 130 7.754 -14.987 8.402 1.00 0.00 C ATOM 0 H THR A 130 6.443 -12.336 7.610 1.00 0.00 H new ATOM 0 HA THR A 130 7.481 -13.027 10.260 1.00 0.00 H new ATOM 0 HB THR A 130 9.455 -13.825 8.978 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.906 -13.244 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.342 -15.709 7.836 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.588 -15.365 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 130 6.794 -14.835 7.909 1.00 0.00 H new ATOM 1924 N MET A 131 7.850 -10.208 9.223 1.00 0.00 N ATOM 1925 CA MET A 131 8.485 -8.912 9.430 1.00 0.00 C ATOM 1926 C MET A 131 8.934 -8.744 10.876 1.00 0.00 C ATOM 1927 O MET A 131 8.270 -9.215 11.801 1.00 0.00 O ATOM 1928 CB MET A 131 7.533 -7.787 9.031 1.00 0.00 C ATOM 1929 CG MET A 131 8.165 -6.403 9.019 1.00 0.00 C ATOM 1930 SD MET A 131 6.999 -5.111 8.543 1.00 0.00 S ATOM 1931 CE MET A 131 6.823 -5.443 6.793 1.00 0.00 C ATOM 0 H MET A 131 6.878 -10.156 8.920 1.00 0.00 H new ATOM 0 HA MET A 131 9.371 -8.864 8.797 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.134 -8.000 8.039 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.688 -7.781 9.720 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.563 -6.181 10.009 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.008 -6.399 8.328 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.372 -4.580 6.303 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.804 -5.636 6.359 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.186 -6.316 6.651 1.00 0.00 H new ATOM 1941 N LYS A 132 10.062 -8.069 11.066 1.00 0.00 N ATOM 1942 CA LYS A 132 10.619 -7.867 12.398 1.00 0.00 C ATOM 1943 C LYS A 132 10.234 -6.504 12.957 1.00 0.00 C ATOM 1944 O LYS A 132 10.044 -5.546 12.207 1.00 0.00 O ATOM 1945 CB LYS A 132 12.141 -8.012 12.369 1.00 0.00 C ATOM 1946 CG LYS A 132 12.634 -9.407 12.008 1.00 0.00 C ATOM 1947 CD LYS A 132 14.154 -9.460 11.952 1.00 0.00 C ATOM 1948 CE LYS A 132 14.649 -10.857 11.609 1.00 0.00 C ATOM 1949 NZ LYS A 132 16.134 -10.929 11.577 1.00 0.00 N ATOM 0 H LYS A 132 10.609 -7.652 10.313 1.00 0.00 H new ATOM 0 HA LYS A 132 10.202 -8.633 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.548 -7.299 11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 132 12.538 -7.742 13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.270 -10.125 12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.222 -9.702 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.517 -8.751 11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.566 -9.152 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.267 -11.567 12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.250 -11.155 10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 16.430 -11.897 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 16.498 -10.270 10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 16.514 -10.670 12.510 1.00 0.00 H new ATOM 1963 N ASN A 133 10.119 -6.423 14.278 1.00 0.00 N ATOM 1964 CA ASN A 133 9.816 -5.162 14.944 1.00 0.00 C ATOM 1965 C ASN A 133 10.992 -4.199 14.863 1.00 0.00 C ATOM 1966 O ASN A 133 12.027 -4.412 15.497 1.00 0.00 O ATOM 1967 CB ASN A 133 9.422 -5.404 16.390 1.00 0.00 C ATOM 1968 CG ASN A 133 9.031 -4.138 17.103 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.855 -3.233 17.283 1.00 0.00 O ATOM 1970 ND2 ASN A 133 7.790 -4.056 17.510 1.00 0.00 N ATOM 0 H ASN A 133 10.231 -7.216 14.909 1.00 0.00 H new ATOM 0 HA ASN A 133 8.973 -4.704 14.427 1.00 0.00 H new ATOM 0 HB2 ASN A 133 8.590 -6.107 16.423 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.255 -5.871 16.916 1.00 0.00 H new ATOM 0 HD21 ASN A 133 7.467 -3.220 17.998 1.00 0.00 H new ATOM 0 HD22 ASN A 133 7.145 -4.828 17.339 1.00 0.00 H new ATOM 1977 N GLY A 134 10.830 -3.138 14.080 1.00 0.00 N ATOM 1978 CA GLY A 134 11.910 -2.187 13.843 1.00 0.00 C ATOM 1979 C GLY A 134 12.586 -2.445 12.503 1.00 0.00 C ATOM 1980 O GLY A 134 13.607 -1.835 12.185 1.00 0.00 O ATOM 0 H GLY A 134 9.959 -2.915 13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.515 -1.171 13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.645 -2.260 14.644 1.00 0.00 H new ATOM 1984 N ASP A 135 12.011 -3.350 11.720 1.00 0.00 N ATOM 1985 CA ASP A 135 12.522 -3.648 10.387 1.00 0.00 C ATOM 1986 C ASP A 135 12.520 -2.404 9.507 1.00 0.00 C ATOM 1987 O ASP A 135 11.514 -1.701 9.413 1.00 0.00 O ATOM 1988 CB ASP A 135 11.691 -4.749 9.726 1.00 0.00 C ATOM 1989 CG ASP A 135 12.336 -5.302 8.463 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.391 -4.833 8.105 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.769 -6.187 7.868 1.00 0.00 O ATOM 0 H ASP A 135 11.189 -3.892 11.986 1.00 0.00 H new ATOM 0 HA ASP A 135 13.550 -3.994 10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.542 -5.561 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.705 -4.355 9.481 1.00 0.00 H new ATOM 1996 N VAL A 136 13.651 -2.138 8.863 1.00 0.00 N ATOM 1997 CA VAL A 136 13.827 -0.911 8.097 1.00 0.00 C ATOM 1998 C VAL A 136 13.502 -1.130 6.624 1.00 0.00 C ATOM 1999 O VAL A 136 13.957 -2.099 6.016 1.00 0.00 O ATOM 2000 CB VAL A 136 15.274 -0.400 8.230 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.475 0.855 7.394 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.595 -0.131 9.692 1.00 0.00 C ATOM 0 H VAL A 136 14.461 -2.758 8.857 1.00 0.00 H new ATOM 0 HA VAL A 136 13.139 -0.168 8.500 1.00 0.00 H new ATOM 0 HB VAL A 136 15.955 -1.165 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.503 1.202 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.274 0.630 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.792 1.633 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.620 0.230 9.779 1.00 0.00 H new ATOM 0 HG22 VAL A 136 14.910 0.622 10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.485 -1.052 10.264 1.00 0.00 H new ATOM 2012 N MET A 137 12.714 -0.224 6.057 1.00 0.00 N ATOM 2013 CA MET A 137 12.353 -0.297 4.646 1.00 0.00 C ATOM 2014 C MET A 137 13.374 0.427 3.778 1.00 0.00 C ATOM 2015 O MET A 137 13.811 1.529 4.107 1.00 0.00 O ATOM 2016 CB MET A 137 10.958 0.283 4.427 1.00 0.00 C ATOM 2017 CG MET A 137 10.443 0.162 3.000 1.00 0.00 C ATOM 2018 SD MET A 137 8.818 0.916 2.781 1.00 0.00 S ATOM 2019 CE MET A 137 9.227 2.652 2.928 1.00 0.00 C ATOM 0 H MET A 137 12.312 0.571 6.554 1.00 0.00 H new ATOM 0 HA MET A 137 12.348 -1.346 4.351 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.260 -0.220 5.096 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.967 1.336 4.709 1.00 0.00 H new ATOM 0 HG2 MET A 137 11.153 0.634 2.321 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.391 -0.891 2.725 1.00 0.00 H new ATOM 0 HE1 MET A 137 8.320 3.249 2.832 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.683 2.837 3.901 1.00 0.00 H new ATOM 0 HE3 MET A 137 9.928 2.929 2.140 1.00 0.00 H new ATOM 2029 N LYS A 138 13.750 -0.199 2.668 1.00 0.00 N ATOM 2030 CA LYS A 138 14.799 0.333 1.805 1.00 0.00 C ATOM 2031 C LYS A 138 14.242 1.368 0.837 1.00 0.00 C ATOM 2032 O LYS A 138 14.758 2.481 0.739 1.00 0.00 O ATOM 2033 CB LYS A 138 15.482 -0.797 1.034 1.00 0.00 C ATOM 2034 CG LYS A 138 16.643 -0.347 0.157 1.00 0.00 C ATOM 2035 CD LYS A 138 17.412 -1.538 -0.396 1.00 0.00 C ATOM 2036 CE LYS A 138 18.622 -1.091 -1.202 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.417 -2.246 -1.699 1.00 0.00 N ATOM 0 H LYS A 138 13.343 -1.077 2.344 1.00 0.00 H new ATOM 0 HA LYS A 138 15.537 0.823 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 138 15.846 -1.538 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 138 14.741 -1.293 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.266 0.259 -0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.315 0.286 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.736 -2.177 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.754 -2.137 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.292 -0.487 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.255 -0.454 -0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.232 -1.898 -2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.754 -2.808 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.821 -2.840 -2.310 1.00 0.00 H new ATOM 2051 N GLU A 139 13.186 0.994 0.121 1.00 0.00 N ATOM 2052 CA GLU A 139 12.582 1.876 -0.869 1.00 0.00 C ATOM 2053 C GLU A 139 11.221 1.355 -1.313 1.00 0.00 C ATOM 2054 O GLU A 139 10.896 0.186 -1.106 1.00 0.00 O ATOM 2055 CB GLU A 139 13.501 2.027 -2.083 1.00 0.00 C ATOM 2056 CG GLU A 139 13.738 0.738 -2.856 1.00 0.00 C ATOM 2057 CD GLU A 139 14.729 0.900 -3.975 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.263 1.973 -4.119 1.00 0.00 O ATOM 2059 OE2 GLU A 139 14.951 -0.051 -4.687 1.00 0.00 O ATOM 0 H GLU A 139 12.731 0.085 0.209 1.00 0.00 H new ATOM 0 HA GLU A 139 12.442 2.851 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.072 2.768 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.462 2.418 -1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.095 -0.031 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.791 0.386 -3.265 1.00 0.00 H new ATOM 2066 N VAL A 140 10.428 2.228 -1.926 1.00 0.00 N ATOM 2067 CA VAL A 140 9.151 1.829 -2.504 1.00 0.00 C ATOM 2068 C VAL A 140 9.017 2.323 -3.938 1.00 0.00 C ATOM 2069 O VAL A 140 9.285 3.488 -4.231 1.00 0.00 O ATOM 2070 CB VAL A 140 7.987 2.386 -1.661 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.655 2.096 -2.336 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.026 1.787 -0.264 1.00 0.00 C ATOM 0 H VAL A 140 10.648 3.218 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 140 9.113 0.740 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 140 8.095 3.467 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.844 2.496 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.636 2.565 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.529 1.019 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.200 2.185 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 140 7.935 0.703 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 140 8.971 2.043 0.215 1.00 0.00 H new ATOM 2082 N LYS A 141 8.600 1.429 -4.829 1.00 0.00 N ATOM 2083 CA LYS A 141 8.397 1.781 -6.229 1.00 0.00 C ATOM 2084 C LYS A 141 6.919 1.742 -6.598 1.00 0.00 C ATOM 2085 O LYS A 141 6.133 1.030 -5.974 1.00 0.00 O ATOM 2086 CB LYS A 141 9.192 0.842 -7.139 1.00 0.00 C ATOM 2087 CG LYS A 141 10.702 0.929 -6.966 1.00 0.00 C ATOM 2088 CD LYS A 141 11.420 -0.051 -7.881 1.00 0.00 C ATOM 2089 CE LYS A 141 12.930 0.037 -7.713 1.00 0.00 C ATOM 2090 NZ LYS A 141 13.646 -0.900 -8.620 1.00 0.00 N ATOM 0 H LYS A 141 8.396 0.455 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 141 8.757 2.800 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.875 -0.183 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.944 1.065 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.037 1.944 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.964 0.720 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.087 -1.066 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.155 0.156 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 141 13.258 1.057 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.194 -0.186 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.672 -0.809 -8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.352 -1.876 -8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.415 -0.671 -9.608 1.00 0.00 H new ATOM 2104 N VAL A 142 6.549 2.511 -7.617 1.00 0.00 N ATOM 2105 CA VAL A 142 5.165 2.560 -8.076 1.00 0.00 C ATOM 2106 C VAL A 142 5.058 2.170 -9.544 1.00 0.00 C ATOM 2107 O VAL A 142 5.802 2.674 -10.386 1.00 0.00 O ATOM 2108 CB VAL A 142 4.587 3.973 -7.880 1.00 0.00 C ATOM 2109 CG1 VAL A 142 3.157 4.040 -8.394 1.00 0.00 C ATOM 2110 CG2 VAL A 142 4.650 4.359 -6.409 1.00 0.00 C ATOM 0 H VAL A 142 7.188 3.109 -8.141 1.00 0.00 H new ATOM 0 HA VAL A 142 4.594 1.846 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 142 5.185 4.682 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 142 2.764 5.046 -8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 142 3.140 3.795 -9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.540 3.327 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.239 5.360 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.069 3.648 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.687 4.345 -6.073 1.00 0.00 H new ATOM 2120 N PHE A 143 4.130 1.268 -9.846 1.00 0.00 N ATOM 2121 CA PHE A 143 3.989 0.735 -11.196 1.00 0.00 C ATOM 2122 C PHE A 143 2.544 0.812 -11.670 1.00 0.00 C ATOM 2123 O PHE A 143 1.620 0.930 -10.865 1.00 0.00 O ATOM 2124 CB PHE A 143 4.472 -0.716 -11.250 1.00 0.00 C ATOM 2125 CG PHE A 143 5.905 -0.893 -10.836 1.00 0.00 C ATOM 2126 CD1 PHE A 143 6.935 -0.672 -11.737 1.00 0.00 C ATOM 2127 CD2 PHE A 143 6.226 -1.282 -9.543 1.00 0.00 C ATOM 2128 CE1 PHE A 143 8.253 -0.836 -11.358 1.00 0.00 C ATOM 2129 CE2 PHE A 143 7.543 -1.445 -9.161 1.00 0.00 C ATOM 2130 CZ PHE A 143 8.557 -1.223 -10.068 1.00 0.00 C ATOM 0 H PHE A 143 3.463 0.890 -9.173 1.00 0.00 H new ATOM 0 HA PHE A 143 4.603 1.344 -11.859 1.00 0.00 H new ATOM 0 HB2 PHE A 143 3.839 -1.324 -10.604 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.347 -1.093 -12.265 1.00 0.00 H new ATOM 0 HD1 PHE A 143 6.704 -0.368 -12.747 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.437 -1.459 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 143 9.046 -0.662 -12.071 1.00 0.00 H new ATOM 0 HE2 PHE A 143 7.779 -1.747 -8.151 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.587 -1.352 -9.770 1.00 0.00 H new ATOM 2140 N ASP A 144 2.353 0.744 -12.983 1.00 0.00 N ATOM 2141 CA ASP A 144 1.019 0.627 -13.559 1.00 0.00 C ATOM 2142 C ASP A 144 0.899 -0.625 -14.419 1.00 0.00 C ATOM 2143 O ASP A 144 1.804 -0.953 -15.185 1.00 0.00 O ATOM 2144 CB ASP A 144 0.687 1.863 -14.399 1.00 0.00 C ATOM 2145 CG ASP A 144 0.601 3.137 -13.568 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -0.141 3.153 -12.615 1.00 0.00 O ATOM 2147 OD2 ASP A 144 1.277 4.082 -13.896 1.00 0.00 O ATOM 0 H ASP A 144 3.107 0.768 -13.669 1.00 0.00 H new ATOM 0 HA ASP A 144 0.309 0.551 -12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.448 1.988 -15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.262 1.704 -14.911 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.226 -1.321 -14.287 1.00 0.00 N ATOM 2153 CA GLU A 145 -0.446 -2.565 -15.014 1.00 0.00 C ATOM 2154 C GLU A 145 -1.807 -2.568 -15.700 1.00 0.00 C ATOM 2155 O GLU A 145 -2.828 -2.282 -15.075 1.00 0.00 O ATOM 2156 CB GLU A 145 -0.339 -3.762 -14.067 1.00 0.00 C ATOM 2157 CG GLU A 145 -0.532 -5.115 -14.739 1.00 0.00 C ATOM 2158 CD GLU A 145 -0.299 -6.269 -13.806 1.00 0.00 C ATOM 2159 OE1 GLU A 145 0.002 -6.033 -12.660 1.00 0.00 O ATOM 2160 OE2 GLU A 145 -0.423 -7.392 -14.239 1.00 0.00 O ATOM 0 H GLU A 145 -1.000 -1.044 -13.683 1.00 0.00 H new ATOM 0 HA GLU A 145 0.325 -2.644 -15.780 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.640 -3.744 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -1.082 -3.653 -13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -1.544 -5.176 -15.138 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.150 -5.195 -15.586 1.00 0.00 H new ATOM 2167 N PRO A 146 -1.813 -2.895 -16.988 1.00 0.00 N ATOM 2168 CA PRO A 146 -3.056 -3.019 -17.740 1.00 0.00 C ATOM 2169 C PRO A 146 -4.053 -3.912 -17.013 1.00 0.00 C ATOM 2170 O PRO A 146 -4.943 -3.546 -16.737 1.00 0.00 O ATOM 2171 CB PRO A 146 -2.598 -3.645 -19.062 1.00 0.00 C ATOM 2172 CG PRO A 146 -1.198 -3.161 -19.229 1.00 0.00 C ATOM 2173 CD PRO A 146 -0.628 -3.177 -17.836 1.00 0.00 C ATOM 2174 OXT PRO A 146 -3.772 -5.053 -16.771 1.00 0.00 O ATOM 0 HA PRO A 146 -3.574 -2.070 -17.876 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -2.641 -4.733 -19.024 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -3.230 -3.330 -19.892 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -0.631 -3.808 -19.898 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -1.172 -2.159 -19.657 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -0.179 -4.140 -17.595 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.148 -2.423 -17.709 1.00 0.00 H new