USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot 140:sc= 0.54 USER MOD Set 1.2: A 79 CYS SG : rot -170:sc= 2.46 USER MOD Set 1.3: A 80 SER OG : rot 180:sc= 0.581 USER MOD Set 1.4: A 93 CYS SG : rot -132:sc= 1.94 USER MOD Set 1.5: A 95 LYS NZ :NH3+ 158:sc= 1.98 (180deg=-0.0527) USER MOD Set 1.6: A 96 CYS SG : rot -102:sc= 1.13 USER MOD Set 1.7: A 100 ASN : amide:sc= 0.155 K(o=8.8,f=5.7!) USER MOD Set 2.1: A 84 LYS NZ :NH3+ 173:sc= 0.959 (180deg=0) USER MOD Set 2.2: A 86 ASN : amide:sc= 0.841 K(o=1.8,f=-4.7!) USER MOD Set 3.1: A 16 CYS SG : rot 180:sc= -0.676 USER MOD Set 3.2: A 60 CYS SG : rot -140:sc= -0.14 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 2.91 (180deg=2.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.715 K(o=0.72,f=-0.46) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 0.666 (180deg=0.524) USER MOD Single : A 39 SER OG : rot -107:sc= 1.16 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= 0.599 (180deg=0.445) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 76:sc= 1.09 USER MOD Single : A 57 SER OG : rot -58:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0.862 (180deg=0.706) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -0.182 X(o=-0.18,f=-0.45) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.05) USER MOD Single : A 104 THR OG1 : rot -23:sc= 0.187 USER MOD Single : A 105 GLN : amide:sc= 1.59 K(o=1.6,f=-0.082) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 143:sc= -0.248 (180deg=-0.296) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 165:sc= 0 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.829 9.726 -2.894 1.00 0.00 N ATOM 39 CA HIS A 4 -15.053 8.568 -2.422 1.00 0.00 C ATOM 40 C HIS A 4 -13.798 8.275 -3.268 1.00 0.00 C ATOM 41 O HIS A 4 -12.705 8.125 -2.723 1.00 0.00 O ATOM 42 CB HIS A 4 -15.979 7.346 -2.341 1.00 0.00 C ATOM 43 CG HIS A 4 -15.313 6.134 -1.738 1.00 0.00 C ATOM 44 ND1 HIS A 4 -14.909 5.005 -2.419 1.00 0.00 N ATOM 45 CD2 HIS A 4 -14.994 5.960 -0.418 1.00 0.00 C ATOM 46 CE1 HIS A 4 -14.356 4.163 -1.527 1.00 0.00 C ATOM 47 NE2 HIS A 4 -14.386 4.703 -0.294 1.00 0.00 N ATOM 0 HA HIS A 4 -14.669 8.810 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.857 7.602 -1.748 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.331 7.098 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.177 6.663 0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.947 3.193 -1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.034 4.279 0.565 1.00 0.00 H new ATOM 55 N GLU A 5 -13.919 8.255 -4.600 1.00 0.00 N ATOM 56 CA GLU A 5 -12.790 8.018 -5.520 1.00 0.00 C ATOM 57 C GLU A 5 -11.702 9.114 -5.499 1.00 0.00 C ATOM 58 O GLU A 5 -10.569 8.861 -5.911 1.00 0.00 O ATOM 59 CB GLU A 5 -13.309 7.768 -6.947 1.00 0.00 C ATOM 60 CG GLU A 5 -14.006 8.972 -7.595 1.00 0.00 C ATOM 61 CD GLU A 5 -14.552 8.588 -8.986 1.00 0.00 C ATOM 62 OE1 GLU A 5 -15.686 8.055 -9.072 1.00 0.00 O ATOM 63 OE2 GLU A 5 -13.845 8.791 -10.002 1.00 0.00 O ATOM 0 H GLU A 5 -14.808 8.403 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.287 7.123 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.471 7.468 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.006 6.931 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.822 9.315 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.304 9.801 -7.688 1.00 0.00 H new ATOM 70 N TYR A 6 -12.009 10.303 -4.964 1.00 0.00 N ATOM 71 CA TYR A 6 -11.060 11.404 -4.748 1.00 0.00 C ATOM 72 C TYR A 6 -10.622 11.559 -3.281 1.00 0.00 C ATOM 73 O TYR A 6 -9.738 12.368 -2.993 1.00 0.00 O ATOM 74 CB TYR A 6 -11.639 12.712 -5.313 1.00 0.00 C ATOM 75 CG TYR A 6 -11.931 12.699 -6.806 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.971 12.206 -7.716 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.145 13.220 -7.295 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.227 12.213 -9.099 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.409 13.227 -8.678 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.452 12.722 -9.586 1.00 0.00 C ATOM 81 OH TYR A 6 -12.708 12.753 -10.923 1.00 0.00 O ATOM 0 H TYR A 6 -12.955 10.533 -4.660 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.148 11.154 -5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.562 12.942 -4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.939 13.521 -5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.032 11.820 -7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.876 13.616 -6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.488 11.830 -9.788 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.346 13.619 -9.046 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.598 13.134 -11.077 1.00 0.00 H new ATOM 91 N SER A 7 -11.166 10.757 -2.357 1.00 0.00 N ATOM 92 CA SER A 7 -10.736 10.704 -0.952 1.00 0.00 C ATOM 93 C SER A 7 -9.250 10.339 -0.848 1.00 0.00 C ATOM 94 O SER A 7 -8.480 11.075 -0.231 1.00 0.00 O ATOM 95 CB SER A 7 -11.604 9.712 -0.168 1.00 0.00 C ATOM 96 OG SER A 7 -11.309 9.764 1.218 1.00 0.00 O ATOM 0 H SER A 7 -11.930 10.115 -2.567 1.00 0.00 H new ATOM 0 HA SER A 7 -10.865 11.693 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.658 9.940 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.436 8.702 -0.542 1.00 0.00 H new ATOM 0 HG SER A 7 -11.876 9.124 1.697 1.00 0.00 H new ATOM 102 N VAL A 8 -8.821 9.265 -1.529 1.00 0.00 N ATOM 103 CA VAL A 8 -7.405 8.847 -1.623 1.00 0.00 C ATOM 104 C VAL A 8 -6.539 9.980 -2.163 1.00 0.00 C ATOM 105 O VAL A 8 -5.539 10.353 -1.554 1.00 0.00 O ATOM 106 CB VAL A 8 -7.181 7.620 -2.536 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.905 6.884 -2.122 1.00 0.00 C ATOM 108 CG2 VAL A 8 -8.339 6.627 -2.550 1.00 0.00 C ATOM 0 H VAL A 8 -9.455 8.650 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.123 8.579 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.098 8.021 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.756 6.021 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.052 7.557 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.997 6.549 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.099 5.798 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.505 6.247 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.242 7.126 -2.903 1.00 0.00 H new ATOM 118 N VAL A 9 -6.946 10.530 -3.311 1.00 0.00 N ATOM 119 CA VAL A 9 -6.228 11.554 -4.070 1.00 0.00 C ATOM 120 C VAL A 9 -5.950 12.786 -3.204 1.00 0.00 C ATOM 121 O VAL A 9 -4.795 13.148 -2.973 1.00 0.00 O ATOM 122 CB VAL A 9 -7.050 11.944 -5.310 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.390 13.036 -6.149 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.278 10.748 -6.239 1.00 0.00 C ATOM 0 H VAL A 9 -7.824 10.260 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.268 11.146 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.993 12.312 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.020 13.265 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.262 13.933 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.416 12.690 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.862 11.065 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.316 10.359 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.818 9.968 -5.702 1.00 0.00 H new ATOM 134 N SER A 10 -7.020 13.405 -2.694 1.00 0.00 N ATOM 135 CA SER A 10 -6.979 14.580 -1.822 1.00 0.00 C ATOM 136 C SER A 10 -6.186 14.308 -0.542 1.00 0.00 C ATOM 137 O SER A 10 -5.386 15.146 -0.128 1.00 0.00 O ATOM 138 CB SER A 10 -8.415 15.012 -1.492 1.00 0.00 C ATOM 139 OG SER A 10 -8.444 16.264 -0.823 1.00 0.00 O ATOM 0 H SER A 10 -7.971 13.089 -2.885 1.00 0.00 H new ATOM 0 HA SER A 10 -6.466 15.386 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.996 15.077 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.889 14.254 -0.868 1.00 0.00 H new ATOM 0 HG SER A 10 -9.373 16.510 -0.629 1.00 0.00 H new ATOM 145 N SER A 11 -6.361 13.128 0.065 1.00 0.00 N ATOM 146 CA SER A 11 -5.641 12.721 1.284 1.00 0.00 C ATOM 147 C SER A 11 -4.125 12.670 1.058 1.00 0.00 C ATOM 148 O SER A 11 -3.372 13.310 1.794 1.00 0.00 O ATOM 149 CB SER A 11 -6.166 11.376 1.802 1.00 0.00 C ATOM 150 OG SER A 11 -5.557 11.021 3.034 1.00 0.00 O ATOM 0 H SER A 11 -7.011 12.421 -0.277 1.00 0.00 H new ATOM 0 HA SER A 11 -5.829 13.478 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.247 11.431 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.973 10.599 1.062 1.00 0.00 H new ATOM 0 HG SER A 11 -5.913 10.160 3.339 1.00 0.00 H new ATOM 156 N LEU A 12 -3.673 11.953 0.020 1.00 0.00 N ATOM 157 CA LEU A 12 -2.260 11.809 -0.351 1.00 0.00 C ATOM 158 C LEU A 12 -1.613 13.189 -0.555 1.00 0.00 C ATOM 159 O LEU A 12 -0.636 13.537 0.111 1.00 0.00 O ATOM 160 CB LEU A 12 -2.180 10.919 -1.614 1.00 0.00 C ATOM 161 CG LEU A 12 -0.838 10.221 -1.904 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.370 11.151 -1.951 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.550 9.137 -0.870 1.00 0.00 C ATOM 0 H LEU A 12 -4.299 11.443 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.697 11.327 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.949 10.151 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.433 11.535 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.969 9.800 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.268 10.570 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.227 11.894 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.479 11.654 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.403 8.660 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.503 9.584 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.344 8.391 -0.895 1.00 0.00 H new ATOM 175 N ILE A 13 -2.197 13.987 -1.450 1.00 0.00 N ATOM 176 CA ILE A 13 -1.763 15.347 -1.805 1.00 0.00 C ATOM 177 C ILE A 13 -1.706 16.265 -0.574 1.00 0.00 C ATOM 178 O ILE A 13 -0.692 16.925 -0.359 1.00 0.00 O ATOM 179 CB ILE A 13 -2.674 15.900 -2.923 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.421 15.099 -4.221 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.455 17.399 -3.181 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.474 15.357 -5.296 1.00 0.00 C ATOM 0 H ILE A 13 -3.022 13.694 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.743 15.310 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.707 15.785 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.438 15.356 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.402 14.035 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.122 17.733 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.667 17.960 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.421 17.570 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.241 14.767 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.456 15.073 -4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.477 16.416 -5.556 1.00 0.00 H new ATOM 194 N ALA A 14 -2.749 16.300 0.259 1.00 0.00 N ATOM 195 CA ALA A 14 -2.764 17.128 1.468 1.00 0.00 C ATOM 196 C ALA A 14 -1.676 16.741 2.488 1.00 0.00 C ATOM 197 O ALA A 14 -0.986 17.621 2.999 1.00 0.00 O ATOM 198 CB ALA A 14 -4.149 17.078 2.109 1.00 0.00 C ATOM 0 H ALA A 14 -3.602 15.759 0.116 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.535 18.148 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.156 17.695 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.890 17.455 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.391 16.049 2.373 1.00 0.00 H new ATOM 204 N LEU A 15 -1.491 15.446 2.776 1.00 0.00 N ATOM 205 CA LEU A 15 -0.411 14.954 3.646 1.00 0.00 C ATOM 206 C LEU A 15 0.972 15.325 3.089 1.00 0.00 C ATOM 207 O LEU A 15 1.814 15.859 3.812 1.00 0.00 O ATOM 208 CB LEU A 15 -0.541 13.427 3.828 1.00 0.00 C ATOM 209 CG LEU A 15 -1.266 12.959 5.104 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.453 13.266 6.364 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.665 13.556 5.273 1.00 0.00 C ATOM 0 H LEU A 15 -2.089 14.705 2.411 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.506 15.436 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.069 13.022 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.459 12.994 3.823 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.372 11.882 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.999 12.921 7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.509 12.755 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.289 14.341 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.112 13.180 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.593 14.643 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.287 13.271 4.425 1.00 0.00 H new ATOM 223 N CYS A 16 1.185 15.095 1.792 1.00 0.00 N ATOM 224 CA CYS A 16 2.366 15.517 1.040 1.00 0.00 C ATOM 225 C CYS A 16 2.649 17.029 1.197 1.00 0.00 C ATOM 226 O CYS A 16 3.757 17.423 1.566 1.00 0.00 O ATOM 227 CB CYS A 16 2.143 15.079 -0.414 1.00 0.00 C ATOM 228 SG CYS A 16 3.623 15.365 -1.406 1.00 0.00 S ATOM 0 H CYS A 16 0.513 14.590 1.215 1.00 0.00 H new ATOM 0 HA CYS A 16 3.268 15.044 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.879 14.022 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.303 15.629 -0.839 1.00 0.00 H new ATOM 0 HG CYS A 16 3.406 14.984 -2.630 1.00 0.00 H new ATOM 234 N GLU A 17 1.634 17.877 1.007 1.00 0.00 N ATOM 235 CA GLU A 17 1.694 19.326 1.238 1.00 0.00 C ATOM 236 C GLU A 17 2.021 19.695 2.700 1.00 0.00 C ATOM 237 O GLU A 17 2.727 20.672 2.953 1.00 0.00 O ATOM 238 CB GLU A 17 0.363 19.972 0.809 1.00 0.00 C ATOM 239 CG GLU A 17 0.494 21.484 0.585 1.00 0.00 C ATOM 240 CD GLU A 17 -0.842 22.212 0.799 1.00 0.00 C ATOM 241 OE1 GLU A 17 -1.630 22.347 -0.166 1.00 0.00 O ATOM 242 OE2 GLU A 17 -1.081 22.671 1.941 1.00 0.00 O ATOM 0 H GLU A 17 0.720 17.566 0.678 1.00 0.00 H new ATOM 0 HA GLU A 17 2.513 19.714 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.012 19.500 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.392 19.784 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.242 21.889 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.852 21.672 -0.427 1.00 0.00 H new ATOM 249 N GLU A 18 1.513 18.942 3.678 1.00 0.00 N ATOM 250 CA GLU A 18 1.792 19.129 5.108 1.00 0.00 C ATOM 251 C GLU A 18 3.258 18.836 5.459 1.00 0.00 C ATOM 252 O GLU A 18 3.909 19.642 6.125 1.00 0.00 O ATOM 253 CB GLU A 18 0.835 18.271 5.963 1.00 0.00 C ATOM 254 CG GLU A 18 0.304 19.026 7.189 1.00 0.00 C ATOM 255 CD GLU A 18 -0.812 20.023 6.809 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.516 21.042 6.139 1.00 0.00 O ATOM 257 OE2 GLU A 18 -1.988 19.797 7.186 1.00 0.00 O ATOM 0 H GLU A 18 0.879 18.164 3.495 1.00 0.00 H new ATOM 0 HA GLU A 18 1.618 20.180 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.005 17.947 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.355 17.371 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.079 18.312 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.123 19.562 7.668 1.00 0.00 H new ATOM 264 N HIS A 19 3.807 17.724 4.965 1.00 0.00 N ATOM 265 CA HIS A 19 5.230 17.407 5.100 1.00 0.00 C ATOM 266 C HIS A 19 6.119 18.457 4.417 1.00 0.00 C ATOM 267 O HIS A 19 7.136 18.861 4.983 1.00 0.00 O ATOM 268 CB HIS A 19 5.509 16.018 4.515 1.00 0.00 C ATOM 269 CG HIS A 19 4.759 14.886 5.181 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.676 14.647 6.538 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.065 13.891 4.547 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.937 13.538 6.718 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.546 13.040 5.531 1.00 0.00 N ATOM 0 H HIS A 19 3.275 17.016 4.459 1.00 0.00 H new ATOM 0 HA HIS A 19 5.474 17.414 6.162 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.256 16.028 3.455 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.578 15.818 4.586 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.940 13.782 3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.692 13.109 7.678 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.981 12.205 5.377 1.00 0.00 H new ATOM 281 N ALA A 20 5.742 18.932 3.223 1.00 0.00 N ATOM 282 CA ALA A 20 6.525 19.898 2.455 1.00 0.00 C ATOM 283 C ALA A 20 6.714 21.220 3.204 1.00 0.00 C ATOM 284 O ALA A 20 7.851 21.654 3.392 1.00 0.00 O ATOM 285 CB ALA A 20 5.871 20.138 1.096 1.00 0.00 C ATOM 0 H ALA A 20 4.876 18.652 2.762 1.00 0.00 H new ATOM 0 HA ALA A 20 7.518 19.473 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.461 20.859 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.821 19.199 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.863 20.528 1.241 1.00 0.00 H new ATOM 291 N LYS A 21 5.628 21.857 3.662 1.00 0.00 N ATOM 292 CA LYS A 21 5.709 23.105 4.443 1.00 0.00 C ATOM 293 C LYS A 21 6.456 22.935 5.771 1.00 0.00 C ATOM 294 O LYS A 21 7.150 23.858 6.199 1.00 0.00 O ATOM 295 CB LYS A 21 4.309 23.712 4.649 1.00 0.00 C ATOM 296 CG LYS A 21 3.401 22.861 5.554 1.00 0.00 C ATOM 297 CD LYS A 21 2.071 23.553 5.882 1.00 0.00 C ATOM 298 CE LYS A 21 1.165 23.791 4.666 1.00 0.00 C ATOM 299 NZ LYS A 21 0.652 22.519 4.105 1.00 0.00 N ATOM 0 H LYS A 21 4.675 21.528 3.505 1.00 0.00 H new ATOM 0 HA LYS A 21 6.303 23.806 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.413 24.707 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.829 23.836 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.199 21.908 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.927 22.637 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.530 22.948 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.281 24.511 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.327 24.425 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.721 24.329 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.022 22.724 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.445 21.961 3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.173 21.978 4.853 1.00 0.00 H new ATOM 313 N LYS A 22 6.370 21.754 6.402 1.00 0.00 N ATOM 314 CA LYS A 22 7.032 21.455 7.688 1.00 0.00 C ATOM 315 C LYS A 22 8.545 21.288 7.510 1.00 0.00 C ATOM 316 O LYS A 22 9.330 21.771 8.325 1.00 0.00 O ATOM 317 CB LYS A 22 6.379 20.209 8.317 1.00 0.00 C ATOM 318 CG LYS A 22 6.786 19.934 9.774 1.00 0.00 C ATOM 319 CD LYS A 22 6.305 21.023 10.747 1.00 0.00 C ATOM 320 CE LYS A 22 6.597 20.612 12.196 1.00 0.00 C ATOM 321 NZ LYS A 22 6.113 21.635 13.161 1.00 0.00 N ATOM 0 H LYS A 22 5.834 20.969 6.032 1.00 0.00 H new ATOM 0 HA LYS A 22 6.896 22.296 8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.296 20.322 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.634 19.338 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.379 18.972 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.871 19.855 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.803 21.966 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.235 21.189 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.119 19.656 12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.670 20.467 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.326 21.326 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.588 22.541 12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.085 21.755 13.054 1.00 0.00 H new ATOM 335 N ASN A 23 8.942 20.673 6.397 1.00 0.00 N ATOM 336 CA ASN A 23 10.329 20.555 5.931 1.00 0.00 C ATOM 337 C ASN A 23 10.836 21.809 5.180 1.00 0.00 C ATOM 338 O ASN A 23 11.990 21.854 4.755 1.00 0.00 O ATOM 339 CB ASN A 23 10.425 19.289 5.057 1.00 0.00 C ATOM 340 CG ASN A 23 11.856 18.814 4.834 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.709 18.875 5.709 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.164 18.298 3.666 1.00 0.00 N ATOM 0 H ASN A 23 8.279 20.223 5.766 1.00 0.00 H new ATOM 0 HA ASN A 23 10.984 20.473 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.853 18.488 5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.961 19.488 4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.108 17.952 3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.459 18.243 2.931 1.00 0.00 H new ATOM 349 N GLN A 24 9.981 22.827 5.012 1.00 0.00 N ATOM 350 CA GLN A 24 10.227 24.074 4.272 1.00 0.00 C ATOM 351 C GLN A 24 10.687 23.823 2.817 1.00 0.00 C ATOM 352 O GLN A 24 11.497 24.570 2.262 1.00 0.00 O ATOM 353 CB GLN A 24 11.172 24.984 5.087 1.00 0.00 C ATOM 354 CG GLN A 24 10.608 25.354 6.471 1.00 0.00 C ATOM 355 CD GLN A 24 11.696 25.908 7.385 1.00 0.00 C ATOM 356 OE1 GLN A 24 11.960 27.103 7.445 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.377 25.058 8.128 1.00 0.00 N ATOM 0 H GLN A 24 9.043 22.801 5.413 1.00 0.00 H new ATOM 0 HA GLN A 24 9.284 24.609 4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.131 24.481 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.363 25.897 4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.815 26.093 6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.159 24.473 6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.166 24.061 8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.115 25.397 8.745 1.00 0.00 H new ATOM 366 N ALA A 25 10.200 22.740 2.200 1.00 0.00 N ATOM 367 CA ALA A 25 10.654 22.253 0.895 1.00 0.00 C ATOM 368 C ALA A 25 10.129 23.072 -0.301 1.00 0.00 C ATOM 369 O ALA A 25 10.831 23.203 -1.306 1.00 0.00 O ATOM 370 CB ALA A 25 10.236 20.783 0.775 1.00 0.00 C ATOM 0 H ALA A 25 9.461 22.165 2.605 1.00 0.00 H new ATOM 0 HA ALA A 25 11.737 22.365 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.560 20.390 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.698 20.207 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.151 20.706 0.852 1.00 0.00 H new ATOM 376 N HIS A 26 8.898 23.598 -0.211 1.00 0.00 N ATOM 377 CA HIS A 26 8.140 24.302 -1.270 1.00 0.00 C ATOM 378 C HIS A 26 7.919 23.525 -2.595 1.00 0.00 C ATOM 379 O HIS A 26 7.333 24.068 -3.536 1.00 0.00 O ATOM 380 CB HIS A 26 8.726 25.710 -1.494 1.00 0.00 C ATOM 381 CG HIS A 26 8.464 26.660 -0.351 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.406 27.540 -0.262 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.232 26.821 0.770 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.526 28.217 0.894 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.623 27.808 1.557 1.00 0.00 N ATOM 0 H HIS A 26 8.366 23.542 0.658 1.00 0.00 H new ATOM 0 HA HIS A 26 7.124 24.387 -0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.802 25.627 -1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.305 26.129 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.140 26.286 1.005 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.842 28.978 1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.949 28.151 2.460 1.00 0.00 H new ATOM 393 N LYS A 27 8.340 22.257 -2.680 1.00 0.00 N ATOM 394 CA LYS A 27 8.221 21.341 -3.835 1.00 0.00 C ATOM 395 C LYS A 27 8.450 19.883 -3.419 1.00 0.00 C ATOM 396 O LYS A 27 8.903 19.617 -2.306 1.00 0.00 O ATOM 397 CB LYS A 27 9.207 21.770 -4.938 1.00 0.00 C ATOM 398 CG LYS A 27 10.670 21.635 -4.489 1.00 0.00 C ATOM 399 CD LYS A 27 11.576 22.635 -5.214 1.00 0.00 C ATOM 400 CE LYS A 27 12.969 22.677 -4.567 1.00 0.00 C ATOM 401 NZ LYS A 27 12.964 23.422 -3.278 1.00 0.00 N ATOM 0 H LYS A 27 8.806 21.807 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 27 7.206 21.403 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.043 21.161 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.008 22.804 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.737 21.796 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.019 20.621 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.666 22.356 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.126 23.628 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.320 21.659 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.674 23.146 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.769 23.115 -2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.042 24.442 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.077 23.231 -2.770 1.00 0.00 H new ATOM 415 N ILE A 28 8.176 18.955 -4.332 1.00 0.00 N ATOM 416 CA ILE A 28 8.275 17.497 -4.164 1.00 0.00 C ATOM 417 C ILE A 28 9.044 16.896 -5.352 1.00 0.00 C ATOM 418 O ILE A 28 8.979 17.426 -6.461 1.00 0.00 O ATOM 419 CB ILE A 28 6.844 16.913 -4.078 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.014 17.495 -2.913 1.00 0.00 C ATOM 421 CG2 ILE A 28 6.822 15.374 -4.011 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.516 17.144 -1.506 1.00 0.00 C ATOM 0 H ILE A 28 7.859 19.210 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 28 8.816 17.252 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 28 6.375 17.221 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.992 18.580 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.986 17.145 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.790 15.027 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.292 14.964 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.368 15.040 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.864 17.601 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.510 16.062 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.531 17.519 -1.378 1.00 0.00 H new ATOM 434 N GLU A 29 9.739 15.774 -5.141 1.00 0.00 N ATOM 435 CA GLU A 29 10.270 14.936 -6.224 1.00 0.00 C ATOM 436 C GLU A 29 9.267 13.822 -6.570 1.00 0.00 C ATOM 437 O GLU A 29 8.770 13.767 -7.697 1.00 0.00 O ATOM 438 CB GLU A 29 11.655 14.378 -5.847 1.00 0.00 C ATOM 439 CG GLU A 29 12.315 13.674 -7.040 1.00 0.00 C ATOM 440 CD GLU A 29 13.722 13.152 -6.687 1.00 0.00 C ATOM 441 OE1 GLU A 29 14.676 13.965 -6.632 1.00 0.00 O ATOM 442 OE2 GLU A 29 13.883 11.923 -6.495 1.00 0.00 O ATOM 0 H GLU A 29 9.951 15.418 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 29 10.405 15.545 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.295 15.190 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.554 13.677 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.689 12.842 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.384 14.367 -7.879 1.00 0.00 H new ATOM 449 N ARG A 30 8.938 12.951 -5.603 1.00 0.00 N ATOM 450 CA ARG A 30 7.961 11.860 -5.774 1.00 0.00 C ATOM 451 C ARG A 30 7.286 11.407 -4.476 1.00 0.00 C ATOM 452 O ARG A 30 7.758 11.694 -3.379 1.00 0.00 O ATOM 453 CB ARG A 30 8.610 10.675 -6.524 1.00 0.00 C ATOM 454 CG ARG A 30 9.903 10.130 -5.902 1.00 0.00 C ATOM 455 CD ARG A 30 10.454 8.985 -6.760 1.00 0.00 C ATOM 456 NE ARG A 30 11.811 8.594 -6.330 1.00 0.00 N ATOM 457 CZ ARG A 30 12.611 7.724 -6.920 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.248 7.048 -7.973 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.812 7.517 -6.460 1.00 0.00 N ATOM 0 H ARG A 30 9.347 12.984 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 30 7.150 12.268 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.885 9.863 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.822 10.987 -7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.643 10.926 -5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.709 9.776 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.788 8.125 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.476 9.290 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 30 12.169 9.044 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.318 7.182 -8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.894 6.385 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.139 8.028 -5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.425 6.844 -6.920 1.00 0.00 H new ATOM 473 N VAL A 31 6.200 10.654 -4.619 1.00 0.00 N ATOM 474 CA VAL A 31 5.417 10.015 -3.551 1.00 0.00 C ATOM 475 C VAL A 31 5.271 8.519 -3.840 1.00 0.00 C ATOM 476 O VAL A 31 4.761 8.114 -4.884 1.00 0.00 O ATOM 477 CB VAL A 31 4.060 10.714 -3.327 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.265 12.184 -2.950 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.109 10.676 -4.529 1.00 0.00 C ATOM 0 H VAL A 31 5.813 10.457 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 31 5.957 10.125 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 31 3.596 10.145 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.296 12.659 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.849 12.246 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.796 12.695 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.183 11.192 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.579 11.169 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.889 9.640 -4.786 1.00 0.00 H new ATOM 489 N VAL A 32 5.801 7.686 -2.948 1.00 0.00 N ATOM 490 CA VAL A 32 5.891 6.227 -3.098 1.00 0.00 C ATOM 491 C VAL A 32 4.655 5.567 -2.495 1.00 0.00 C ATOM 492 O VAL A 32 4.303 5.833 -1.344 1.00 0.00 O ATOM 493 CB VAL A 32 7.179 5.677 -2.455 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.406 4.218 -2.869 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.426 6.475 -2.869 1.00 0.00 C ATOM 0 H VAL A 32 6.195 8.016 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 32 5.933 5.991 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 32 7.040 5.762 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.320 3.846 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.561 3.612 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.499 4.158 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.307 6.048 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.544 6.430 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.312 7.514 -2.560 1.00 0.00 H new ATOM 505 N VAL A 33 3.983 4.710 -3.268 1.00 0.00 N ATOM 506 CA VAL A 33 2.692 4.089 -2.905 1.00 0.00 C ATOM 507 C VAL A 33 2.744 2.569 -3.088 1.00 0.00 C ATOM 508 O VAL A 33 3.012 2.077 -4.181 1.00 0.00 O ATOM 509 CB VAL A 33 1.535 4.723 -3.705 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.181 4.113 -3.329 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.432 6.234 -3.440 1.00 0.00 C ATOM 0 H VAL A 33 4.322 4.418 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 33 2.504 4.282 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 33 1.760 4.529 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.607 4.587 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.194 3.043 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.009 4.274 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.607 6.650 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.253 6.406 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.363 6.719 -3.734 1.00 0.00 H new ATOM 521 N GLY A 34 2.493 1.822 -2.012 1.00 0.00 N ATOM 522 CA GLY A 34 2.502 0.359 -1.969 1.00 0.00 C ATOM 523 C GLY A 34 1.129 -0.235 -2.306 1.00 0.00 C ATOM 524 O GLY A 34 0.135 0.051 -1.630 1.00 0.00 O ATOM 0 H GLY A 34 2.268 2.238 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.243 -0.020 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.806 0.028 -0.976 1.00 0.00 H new ATOM 528 N ILE A 35 1.066 -1.041 -3.370 1.00 0.00 N ATOM 529 CA ILE A 35 -0.157 -1.649 -3.918 1.00 0.00 C ATOM 530 C ILE A 35 0.042 -3.162 -4.090 1.00 0.00 C ATOM 531 O ILE A 35 1.034 -3.595 -4.675 1.00 0.00 O ATOM 532 CB ILE A 35 -0.573 -0.967 -5.249 1.00 0.00 C ATOM 533 CG1 ILE A 35 -0.607 0.577 -5.118 1.00 0.00 C ATOM 534 CG2 ILE A 35 -1.935 -1.525 -5.706 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.326 1.335 -6.243 1.00 0.00 C ATOM 0 H ILE A 35 1.899 -1.301 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.974 -1.492 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 35 0.176 -1.196 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.087 0.831 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.420 0.939 -5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.229 -1.047 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.855 -2.601 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.686 -1.322 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.286 2.406 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.837 1.124 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.367 1.014 -6.291 1.00 0.00 H new ATOM 547 N GLY A 36 -0.894 -3.971 -3.580 1.00 0.00 N ATOM 548 CA GLY A 36 -0.855 -5.437 -3.698 1.00 0.00 C ATOM 549 C GLY A 36 -0.852 -5.918 -5.158 1.00 0.00 C ATOM 550 O GLY A 36 -1.519 -5.335 -6.012 1.00 0.00 O ATOM 0 H GLY A 36 -1.707 -3.626 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.035 -5.814 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.716 -5.861 -3.182 1.00 0.00 H new ATOM 554 N GLU A 37 -0.134 -6.992 -5.473 1.00 0.00 N ATOM 555 CA GLU A 37 0.066 -7.468 -6.845 1.00 0.00 C ATOM 556 C GLU A 37 -1.145 -8.234 -7.417 1.00 0.00 C ATOM 557 O GLU A 37 -1.411 -8.175 -8.619 1.00 0.00 O ATOM 558 CB GLU A 37 1.398 -8.230 -6.926 1.00 0.00 C ATOM 559 CG GLU A 37 1.417 -9.738 -6.659 1.00 0.00 C ATOM 560 CD GLU A 37 0.950 -10.246 -5.285 1.00 0.00 C ATOM 561 OE1 GLU A 37 0.021 -9.670 -4.685 1.00 0.00 O ATOM 562 OE2 GLU A 37 1.493 -11.270 -4.810 1.00 0.00 O ATOM 0 H GLU A 37 0.334 -7.568 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 37 0.136 -6.605 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.807 -8.069 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.085 -7.764 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.797 -10.217 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.437 -10.089 -6.813 1.00 0.00 H new ATOM 569 N ARG A 38 -1.928 -8.885 -6.545 1.00 0.00 N ATOM 570 CA ARG A 38 -3.235 -9.517 -6.823 1.00 0.00 C ATOM 571 C ARG A 38 -4.442 -8.603 -6.543 1.00 0.00 C ATOM 572 O ARG A 38 -5.583 -9.033 -6.717 1.00 0.00 O ATOM 573 CB ARG A 38 -3.353 -10.836 -6.028 1.00 0.00 C ATOM 574 CG ARG A 38 -2.301 -11.909 -6.373 1.00 0.00 C ATOM 575 CD ARG A 38 -2.201 -12.246 -7.867 1.00 0.00 C ATOM 576 NE ARG A 38 -3.476 -12.764 -8.407 1.00 0.00 N ATOM 577 CZ ARG A 38 -3.785 -12.965 -9.676 1.00 0.00 C ATOM 578 NH1 ARG A 38 -2.943 -12.721 -10.641 1.00 0.00 N ATOM 579 NH2 ARG A 38 -4.959 -13.422 -10.004 1.00 0.00 N ATOM 0 H ARG A 38 -1.654 -8.993 -5.568 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.264 -9.719 -7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.280 -10.608 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.345 -11.255 -6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.326 -11.569 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.536 -12.820 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.909 -11.354 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.416 -12.987 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.198 -12.992 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.012 -12.363 -10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.215 -12.888 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.647 -13.627 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.191 -13.575 -10.985 1.00 0.00 H new ATOM 593 N SER A 39 -4.221 -7.354 -6.119 1.00 0.00 N ATOM 594 CA SER A 39 -5.284 -6.399 -5.746 1.00 0.00 C ATOM 595 C SER A 39 -6.179 -5.943 -6.911 1.00 0.00 C ATOM 596 O SER A 39 -7.297 -5.479 -6.681 1.00 0.00 O ATOM 597 CB SER A 39 -4.670 -5.156 -5.096 1.00 0.00 C ATOM 598 OG SER A 39 -3.999 -4.377 -6.072 1.00 0.00 O ATOM 0 H SER A 39 -3.283 -6.966 -6.022 1.00 0.00 H new ATOM 0 HA SER A 39 -5.923 -6.946 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.450 -4.563 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.972 -5.453 -4.313 1.00 0.00 H new ATOM 0 HG SER A 39 -3.030 -4.468 -5.954 1.00 0.00 H new ATOM 604 N ALA A 40 -5.692 -6.064 -8.154 1.00 0.00 N ATOM 605 CA ALA A 40 -6.323 -5.599 -9.396 1.00 0.00 C ATOM 606 C ALA A 40 -6.716 -4.098 -9.414 1.00 0.00 C ATOM 607 O ALA A 40 -7.589 -3.691 -10.186 1.00 0.00 O ATOM 608 CB ALA A 40 -7.470 -6.557 -9.755 1.00 0.00 C ATOM 0 H ALA A 40 -4.794 -6.516 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.573 -5.635 -10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.948 -6.223 -10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.074 -7.563 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.203 -6.565 -8.948 1.00 0.00 H new ATOM 614 N MET A 41 -6.079 -3.266 -8.576 1.00 0.00 N ATOM 615 CA MET A 41 -6.313 -1.816 -8.492 1.00 0.00 C ATOM 616 C MET A 41 -6.068 -1.109 -9.833 1.00 0.00 C ATOM 617 O MET A 41 -5.054 -1.349 -10.503 1.00 0.00 O ATOM 618 CB MET A 41 -5.402 -1.190 -7.423 1.00 0.00 C ATOM 619 CG MET A 41 -5.746 -1.646 -6.003 1.00 0.00 C ATOM 620 SD MET A 41 -7.279 -0.997 -5.295 1.00 0.00 S ATOM 621 CE MET A 41 -7.217 -1.921 -3.735 1.00 0.00 C ATOM 0 H MET A 41 -5.368 -3.592 -7.921 1.00 0.00 H new ATOM 0 HA MET A 41 -7.360 -1.680 -8.222 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.366 -1.448 -7.640 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.479 -0.104 -7.479 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.802 -2.735 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.922 -1.367 -5.346 1.00 0.00 H new ATOM 0 HE1 MET A 41 -8.087 -1.669 -3.128 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.219 -2.991 -3.945 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.308 -1.659 -3.193 1.00 0.00 H new ATOM 631 N ASP A 42 -6.970 -0.195 -10.199 1.00 0.00 N ATOM 632 CA ASP A 42 -6.940 0.622 -11.421 1.00 0.00 C ATOM 633 C ASP A 42 -5.906 1.767 -11.325 1.00 0.00 C ATOM 634 O ASP A 42 -6.217 2.959 -11.387 1.00 0.00 O ATOM 635 CB ASP A 42 -8.353 1.134 -11.735 1.00 0.00 C ATOM 636 CG ASP A 42 -9.357 -0.008 -11.963 1.00 0.00 C ATOM 637 OD1 ASP A 42 -9.332 -0.625 -13.056 1.00 0.00 O ATOM 638 OD2 ASP A 42 -10.182 -0.281 -11.058 1.00 0.00 O ATOM 0 H ASP A 42 -7.786 0.008 -9.622 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.612 -0.003 -12.252 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.700 1.760 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.318 1.765 -12.623 1.00 0.00 H new ATOM 643 N LYS A 43 -4.639 1.380 -11.166 1.00 0.00 N ATOM 644 CA LYS A 43 -3.455 2.221 -10.927 1.00 0.00 C ATOM 645 C LYS A 43 -3.246 3.341 -11.954 1.00 0.00 C ATOM 646 O LYS A 43 -2.807 4.431 -11.590 1.00 0.00 O ATOM 647 CB LYS A 43 -2.229 1.304 -10.802 1.00 0.00 C ATOM 648 CG LYS A 43 -1.949 0.438 -12.042 1.00 0.00 C ATOM 649 CD LYS A 43 -0.832 -0.593 -11.809 1.00 0.00 C ATOM 650 CE LYS A 43 -1.108 -1.605 -10.682 1.00 0.00 C ATOM 651 NZ LYS A 43 -2.309 -2.450 -10.937 1.00 0.00 N ATOM 0 H LYS A 43 -4.390 0.392 -11.203 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.616 2.765 -9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.352 1.918 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.367 0.649 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.863 -0.082 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.673 1.084 -12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.664 -1.141 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.092 -0.061 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.237 -2.249 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.242 -1.067 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.285 -3.284 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.169 -1.898 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.312 -2.759 -11.930 1.00 0.00 H new ATOM 665 N SER A 44 -3.615 3.092 -13.212 1.00 0.00 N ATOM 666 CA SER A 44 -3.616 4.076 -14.305 1.00 0.00 C ATOM 667 C SER A 44 -4.571 5.247 -14.028 1.00 0.00 C ATOM 668 O SER A 44 -4.189 6.409 -14.185 1.00 0.00 O ATOM 669 CB SER A 44 -3.983 3.377 -15.620 1.00 0.00 C ATOM 670 OG SER A 44 -3.854 4.268 -16.714 1.00 0.00 O ATOM 0 H SER A 44 -3.933 2.170 -13.512 1.00 0.00 H new ATOM 0 HA SER A 44 -2.614 4.498 -14.382 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.337 2.512 -15.771 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.006 3.005 -15.566 1.00 0.00 H new ATOM 0 HG SER A 44 -4.091 3.804 -17.544 1.00 0.00 H new ATOM 676 N LEU A 45 -5.787 4.967 -13.540 1.00 0.00 N ATOM 677 CA LEU A 45 -6.727 6.008 -13.095 1.00 0.00 C ATOM 678 C LEU A 45 -6.181 6.713 -11.864 1.00 0.00 C ATOM 679 O LEU A 45 -6.266 7.934 -11.769 1.00 0.00 O ATOM 680 CB LEU A 45 -8.125 5.466 -12.740 1.00 0.00 C ATOM 681 CG LEU A 45 -8.669 4.425 -13.708 1.00 0.00 C ATOM 682 CD1 LEU A 45 -10.063 3.968 -13.273 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.748 4.909 -15.158 1.00 0.00 C ATOM 0 H LEU A 45 -6.147 4.018 -13.442 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.831 6.689 -13.939 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.088 5.030 -11.742 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.823 6.302 -12.697 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.957 3.600 -13.676 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.438 3.224 -13.976 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.008 3.531 -12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.738 4.824 -13.257 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.145 4.112 -15.787 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.404 5.778 -15.216 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.752 5.183 -15.505 1.00 0.00 H new ATOM 695 N PHE A 46 -5.630 5.938 -10.924 1.00 0.00 N ATOM 696 CA PHE A 46 -5.189 6.468 -9.645 1.00 0.00 C ATOM 697 C PHE A 46 -4.130 7.569 -9.821 1.00 0.00 C ATOM 698 O PHE A 46 -4.320 8.698 -9.359 1.00 0.00 O ATOM 699 CB PHE A 46 -4.680 5.349 -8.729 1.00 0.00 C ATOM 700 CG PHE A 46 -3.995 5.851 -7.470 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.713 6.621 -6.532 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.626 5.591 -7.257 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.074 7.107 -5.377 1.00 0.00 C ATOM 704 CE2 PHE A 46 -2.002 6.050 -6.084 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.721 6.810 -5.146 1.00 0.00 C ATOM 0 H PHE A 46 -5.481 4.935 -11.034 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.055 6.925 -9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.519 4.714 -8.446 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.982 4.725 -9.287 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.757 6.838 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.058 5.041 -7.993 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.624 7.708 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.963 5.817 -5.903 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.234 7.165 -4.250 1.00 0.00 H new ATOM 715 N VAL A 47 -3.037 7.271 -10.537 1.00 0.00 N ATOM 716 CA VAL A 47 -2.031 8.288 -10.889 1.00 0.00 C ATOM 717 C VAL A 47 -2.595 9.431 -11.709 1.00 0.00 C ATOM 718 O VAL A 47 -2.297 10.588 -11.431 1.00 0.00 O ATOM 719 CB VAL A 47 -0.826 7.674 -11.603 1.00 0.00 C ATOM 720 CG1 VAL A 47 -1.035 7.102 -13.005 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.324 8.677 -11.680 1.00 0.00 C ATOM 0 H VAL A 47 -2.825 6.336 -10.884 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.701 8.706 -9.938 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.609 6.812 -10.972 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.092 6.703 -13.380 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.776 6.304 -12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.386 7.890 -13.671 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.171 8.220 -12.191 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.000 9.560 -12.231 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.622 8.967 -10.672 1.00 0.00 H new ATOM 731 N SER A 48 -3.439 9.132 -12.694 1.00 0.00 N ATOM 732 CA SER A 48 -4.037 10.168 -13.533 1.00 0.00 C ATOM 733 C SER A 48 -4.897 11.146 -12.712 1.00 0.00 C ATOM 734 O SER A 48 -4.920 12.349 -12.983 1.00 0.00 O ATOM 735 CB SER A 48 -4.838 9.506 -14.654 1.00 0.00 C ATOM 736 OG SER A 48 -5.305 10.467 -15.586 1.00 0.00 O ATOM 0 H SER A 48 -3.724 8.182 -12.931 1.00 0.00 H new ATOM 0 HA SER A 48 -3.241 10.767 -13.975 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.215 8.772 -15.165 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.684 8.966 -14.230 1.00 0.00 H new ATOM 0 HG SER A 48 -5.813 10.017 -16.293 1.00 0.00 H new ATOM 742 N ALA A 49 -5.531 10.662 -11.637 1.00 0.00 N ATOM 743 CA ALA A 49 -6.270 11.483 -10.679 1.00 0.00 C ATOM 744 C ALA A 49 -5.324 12.327 -9.806 1.00 0.00 C ATOM 745 O ALA A 49 -5.531 13.534 -9.679 1.00 0.00 O ATOM 746 CB ALA A 49 -7.194 10.593 -9.837 1.00 0.00 C ATOM 0 H ALA A 49 -5.543 9.668 -11.407 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.889 12.192 -11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.743 11.209 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.899 10.079 -10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.598 9.858 -9.297 1.00 0.00 H new ATOM 752 N PHE A 50 -4.255 11.734 -9.261 1.00 0.00 N ATOM 753 CA PHE A 50 -3.186 12.465 -8.565 1.00 0.00 C ATOM 754 C PHE A 50 -2.611 13.615 -9.414 1.00 0.00 C ATOM 755 O PHE A 50 -2.517 14.748 -8.942 1.00 0.00 O ATOM 756 CB PHE A 50 -2.102 11.478 -8.113 1.00 0.00 C ATOM 757 CG PHE A 50 -0.884 12.133 -7.491 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.879 12.464 -6.123 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.247 12.416 -8.284 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.248 13.082 -5.552 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.374 13.032 -7.711 1.00 0.00 C ATOM 762 CZ PHE A 50 1.374 13.363 -6.345 1.00 0.00 C ATOM 0 H PHE A 50 -4.105 10.725 -9.290 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.613 12.942 -7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.536 10.785 -7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.784 10.887 -8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.741 12.243 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.248 12.159 -9.333 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.248 13.341 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.239 13.251 -8.320 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.240 13.834 -5.904 1.00 0.00 H new ATOM 772 N GLU A 51 -2.283 13.355 -10.683 1.00 0.00 N ATOM 773 CA GLU A 51 -1.832 14.368 -11.646 1.00 0.00 C ATOM 774 C GLU A 51 -2.897 15.441 -11.914 1.00 0.00 C ATOM 775 O GLU A 51 -2.585 16.628 -11.930 1.00 0.00 O ATOM 776 CB GLU A 51 -1.434 13.701 -12.974 1.00 0.00 C ATOM 777 CG GLU A 51 -0.187 12.811 -12.865 1.00 0.00 C ATOM 778 CD GLU A 51 1.124 13.573 -12.577 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.195 14.805 -12.809 1.00 0.00 O ATOM 780 OE2 GLU A 51 2.104 12.922 -12.144 1.00 0.00 O ATOM 0 H GLU A 51 -2.324 12.416 -11.079 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.968 14.862 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.269 13.100 -13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.254 14.475 -13.720 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.347 12.079 -12.074 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.072 12.255 -13.795 1.00 0.00 H new ATOM 787 N THR A 52 -4.166 15.060 -12.087 1.00 0.00 N ATOM 788 CA THR A 52 -5.283 16.009 -12.275 1.00 0.00 C ATOM 789 C THR A 52 -5.415 16.981 -11.091 1.00 0.00 C ATOM 790 O THR A 52 -5.582 18.187 -11.286 1.00 0.00 O ATOM 791 CB THR A 52 -6.608 15.262 -12.513 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.533 14.510 -13.706 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.805 16.199 -12.677 1.00 0.00 C ATOM 0 H THR A 52 -4.455 14.082 -12.102 1.00 0.00 H new ATOM 0 HA THR A 52 -5.055 16.600 -13.162 1.00 0.00 H new ATOM 0 HB THR A 52 -6.753 14.637 -11.632 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.991 13.708 -13.554 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.708 15.611 -12.842 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.923 16.800 -11.775 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.639 16.855 -13.531 1.00 0.00 H new ATOM 801 N PHE A 53 -5.303 16.478 -9.860 1.00 0.00 N ATOM 802 CA PHE A 53 -5.401 17.251 -8.617 1.00 0.00 C ATOM 803 C PHE A 53 -4.097 17.977 -8.214 1.00 0.00 C ATOM 804 O PHE A 53 -4.107 18.718 -7.228 1.00 0.00 O ATOM 805 CB PHE A 53 -5.902 16.320 -7.496 1.00 0.00 C ATOM 806 CG PHE A 53 -7.407 16.092 -7.465 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.061 15.376 -8.488 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.166 16.589 -6.387 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.456 15.204 -8.458 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.559 16.400 -6.344 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.207 15.716 -7.387 1.00 0.00 C ATOM 0 H PHE A 53 -5.136 15.486 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.114 18.057 -8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.407 15.355 -7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.594 16.735 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.486 14.957 -9.301 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.673 17.120 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.951 14.677 -9.260 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.130 16.780 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.279 15.585 -7.365 1.00 0.00 H new ATOM 821 N ARG A 54 -2.979 17.835 -8.952 1.00 0.00 N ATOM 822 CA ARG A 54 -1.670 18.411 -8.566 1.00 0.00 C ATOM 823 C ARG A 54 -1.677 19.939 -8.456 1.00 0.00 C ATOM 824 O ARG A 54 -0.889 20.514 -7.714 1.00 0.00 O ATOM 825 CB ARG A 54 -0.568 17.913 -9.522 1.00 0.00 C ATOM 826 CG ARG A 54 -0.522 18.664 -10.864 1.00 0.00 C ATOM 827 CD ARG A 54 0.351 17.937 -11.891 1.00 0.00 C ATOM 828 NE ARG A 54 0.306 18.631 -13.189 1.00 0.00 N ATOM 829 CZ ARG A 54 0.726 18.177 -14.357 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.214 16.980 -14.514 1.00 0.00 N ATOM 831 NH2 ARG A 54 0.658 18.934 -15.416 1.00 0.00 N ATOM 0 H ARG A 54 -2.955 17.319 -9.832 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.454 18.055 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.399 18.011 -9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.721 16.851 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.533 18.770 -11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.135 19.670 -10.705 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.380 17.888 -11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.006 16.910 -12.009 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.095 19.569 -13.186 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.284 16.349 -13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.526 16.673 -15.435 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.280 19.879 -15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.983 18.582 -16.316 1.00 0.00 H new ATOM 845 N GLU A 55 -2.583 20.587 -9.187 1.00 0.00 N ATOM 846 CA GLU A 55 -2.787 22.039 -9.215 1.00 0.00 C ATOM 847 C GLU A 55 -3.311 22.608 -7.884 1.00 0.00 C ATOM 848 O GLU A 55 -3.138 23.795 -7.609 1.00 0.00 O ATOM 849 CB GLU A 55 -3.767 22.404 -10.344 1.00 0.00 C ATOM 850 CG GLU A 55 -3.381 21.793 -11.698 1.00 0.00 C ATOM 851 CD GLU A 55 -4.090 22.519 -12.859 1.00 0.00 C ATOM 852 OE1 GLU A 55 -5.292 22.257 -13.107 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.447 23.360 -13.535 1.00 0.00 O ATOM 0 H GLU A 55 -3.226 20.093 -9.806 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.809 22.486 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.767 22.067 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.812 23.489 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.301 21.854 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.645 20.736 -11.711 1.00 0.00 H new ATOM 860 N GLU A 56 -3.948 21.778 -7.049 1.00 0.00 N ATOM 861 CA GLU A 56 -4.561 22.200 -5.781 1.00 0.00 C ATOM 862 C GLU A 56 -3.547 22.446 -4.644 1.00 0.00 C ATOM 863 O GLU A 56 -3.881 23.127 -3.670 1.00 0.00 O ATOM 864 CB GLU A 56 -5.622 21.178 -5.335 1.00 0.00 C ATOM 865 CG GLU A 56 -6.771 21.031 -6.347 1.00 0.00 C ATOM 866 CD GLU A 56 -8.060 20.464 -5.710 1.00 0.00 C ATOM 867 OE1 GLU A 56 -7.989 19.652 -4.756 1.00 0.00 O ATOM 868 OE2 GLU A 56 -9.169 20.844 -6.164 1.00 0.00 O ATOM 0 H GLU A 56 -4.054 20.781 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.029 23.164 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.147 20.208 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.030 21.482 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.987 22.004 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.453 20.376 -7.158 1.00 0.00 H new ATOM 875 N SER A 57 -2.308 21.953 -4.776 1.00 0.00 N ATOM 876 CA SER A 57 -1.217 22.105 -3.800 1.00 0.00 C ATOM 877 C SER A 57 0.073 22.505 -4.515 1.00 0.00 C ATOM 878 O SER A 57 0.596 21.756 -5.337 1.00 0.00 O ATOM 879 CB SER A 57 -1.022 20.802 -3.015 1.00 0.00 C ATOM 880 OG SER A 57 -2.099 20.599 -2.119 1.00 0.00 O ATOM 0 H SER A 57 -2.026 21.417 -5.596 1.00 0.00 H new ATOM 0 HA SER A 57 -1.479 22.893 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.952 19.961 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.083 20.840 -2.462 1.00 0.00 H new ATOM 0 HG SER A 57 -2.168 21.365 -1.512 1.00 0.00 H new ATOM 886 N LEU A 58 0.599 23.702 -4.236 1.00 0.00 N ATOM 887 CA LEU A 58 1.631 24.356 -5.050 1.00 0.00 C ATOM 888 C LEU A 58 2.945 23.563 -5.137 1.00 0.00 C ATOM 889 O LEU A 58 3.616 23.586 -6.169 1.00 0.00 O ATOM 890 CB LEU A 58 1.890 25.782 -4.532 1.00 0.00 C ATOM 891 CG LEU A 58 0.674 26.733 -4.548 1.00 0.00 C ATOM 892 CD1 LEU A 58 1.142 28.144 -4.198 1.00 0.00 C ATOM 893 CD2 LEU A 58 -0.035 26.812 -5.903 1.00 0.00 C ATOM 0 H LEU A 58 0.316 24.253 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 58 1.241 24.398 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.262 25.715 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.684 26.228 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.034 26.330 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.289 28.823 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.594 28.142 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.877 28.476 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.878 27.500 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.664 27.170 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.396 25.822 -6.183 1.00 0.00 H new ATOM 905 N VAL A 59 3.267 22.825 -4.076 1.00 0.00 N ATOM 906 CA VAL A 59 4.430 21.929 -3.961 1.00 0.00 C ATOM 907 C VAL A 59 4.271 20.647 -4.796 1.00 0.00 C ATOM 908 O VAL A 59 5.262 20.038 -5.199 1.00 0.00 O ATOM 909 CB VAL A 59 4.689 21.565 -2.480 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.662 22.802 -1.569 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.681 20.564 -1.902 1.00 0.00 C ATOM 0 H VAL A 59 2.700 22.832 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 59 5.287 22.473 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 59 5.679 21.109 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.848 22.499 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.433 23.504 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.685 23.281 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.929 20.359 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.677 20.984 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.720 19.637 -2.474 1.00 0.00 H new ATOM 921 N CYS A 60 3.026 20.230 -5.054 1.00 0.00 N ATOM 922 CA CYS A 60 2.665 18.958 -5.679 1.00 0.00 C ATOM 923 C CYS A 60 2.670 19.021 -7.210 1.00 0.00 C ATOM 924 O CYS A 60 2.741 17.968 -7.843 1.00 0.00 O ATOM 925 CB CYS A 60 1.289 18.513 -5.156 1.00 0.00 C ATOM 926 SG CYS A 60 1.394 18.146 -3.377 1.00 0.00 S ATOM 0 H CYS A 60 2.210 20.796 -4.822 1.00 0.00 H new ATOM 0 HA CYS A 60 3.425 18.226 -5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.552 19.297 -5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.951 17.630 -5.699 1.00 0.00 H new ATOM 0 HG CYS A 60 0.684 17.090 -3.109 1.00 0.00 H new ATOM 932 N LYS A 61 2.671 20.217 -7.825 1.00 0.00 N ATOM 933 CA LYS A 61 2.814 20.342 -9.295 1.00 0.00 C ATOM 934 C LYS A 61 4.072 19.651 -9.849 1.00 0.00 C ATOM 935 O LYS A 61 4.045 19.130 -10.963 1.00 0.00 O ATOM 936 CB LYS A 61 2.795 21.809 -9.761 1.00 0.00 C ATOM 937 CG LYS A 61 1.395 22.454 -9.787 1.00 0.00 C ATOM 938 CD LYS A 61 1.067 23.336 -8.575 1.00 0.00 C ATOM 939 CE LYS A 61 1.563 24.792 -8.704 1.00 0.00 C ATOM 940 NZ LYS A 61 3.046 24.929 -8.641 1.00 0.00 N ATOM 0 H LYS A 61 2.575 21.107 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 61 1.943 19.826 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.438 22.394 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.225 21.865 -10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.305 23.056 -10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.648 21.663 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.013 23.343 -8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.509 22.890 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.209 25.204 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.118 25.390 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.299 25.936 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.405 24.430 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.469 24.516 -9.497 1.00 0.00 H new ATOM 954 N ASP A 62 5.159 19.633 -9.076 1.00 0.00 N ATOM 955 CA ASP A 62 6.439 19.005 -9.436 1.00 0.00 C ATOM 956 C ASP A 62 6.533 17.505 -9.075 1.00 0.00 C ATOM 957 O ASP A 62 7.485 16.836 -9.484 1.00 0.00 O ATOM 958 CB ASP A 62 7.576 19.789 -8.762 1.00 0.00 C ATOM 959 CG ASP A 62 7.711 21.205 -9.345 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.295 21.352 -10.446 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.234 22.173 -8.706 1.00 0.00 O ATOM 0 H ASP A 62 5.177 20.067 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 62 6.522 19.044 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.389 19.853 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.515 19.251 -8.890 1.00 0.00 H new ATOM 966 N ALA A 63 5.567 16.961 -8.323 1.00 0.00 N ATOM 967 CA ALA A 63 5.576 15.574 -7.851 1.00 0.00 C ATOM 968 C ALA A 63 5.351 14.533 -8.970 1.00 0.00 C ATOM 969 O ALA A 63 4.806 14.831 -10.037 1.00 0.00 O ATOM 970 CB ALA A 63 4.498 15.417 -6.769 1.00 0.00 C ATOM 0 H ALA A 63 4.744 17.483 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 63 6.571 15.375 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.492 14.389 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.713 16.092 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.522 15.659 -7.190 1.00 0.00 H new ATOM 976 N ILE A 64 5.705 13.279 -8.670 1.00 0.00 N ATOM 977 CA ILE A 64 5.474 12.068 -9.475 1.00 0.00 C ATOM 978 C ILE A 64 4.968 10.954 -8.541 1.00 0.00 C ATOM 979 O ILE A 64 5.454 10.819 -7.418 1.00 0.00 O ATOM 980 CB ILE A 64 6.783 11.650 -10.194 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.297 12.774 -11.129 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.604 10.334 -10.976 1.00 0.00 C ATOM 983 CD1 ILE A 64 8.643 12.483 -11.799 1.00 0.00 C ATOM 0 H ILE A 64 6.194 13.065 -7.800 1.00 0.00 H new ATOM 0 HA ILE A 64 4.725 12.258 -10.244 1.00 0.00 H new ATOM 0 HB ILE A 64 7.533 11.482 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.552 12.952 -11.904 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.385 13.695 -10.553 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.541 10.072 -11.467 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.320 9.538 -10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.824 10.460 -11.727 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.923 13.324 -12.434 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.406 12.336 -11.034 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.560 11.582 -12.406 1.00 0.00 H new ATOM 995 N LEU A 65 4.011 10.143 -8.993 1.00 0.00 N ATOM 996 CA LEU A 65 3.542 8.955 -8.268 1.00 0.00 C ATOM 997 C LEU A 65 4.475 7.762 -8.570 1.00 0.00 C ATOM 998 O LEU A 65 4.739 7.454 -9.735 1.00 0.00 O ATOM 999 CB LEU A 65 2.096 8.665 -8.707 1.00 0.00 C ATOM 1000 CG LEU A 65 1.174 7.898 -7.739 1.00 0.00 C ATOM 1001 CD1 LEU A 65 1.855 6.801 -6.937 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.467 8.841 -6.772 1.00 0.00 C ATOM 0 H LEU A 65 3.533 10.291 -9.882 1.00 0.00 H new ATOM 0 HA LEU A 65 3.560 9.123 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.620 9.619 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.139 8.103 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 65 0.455 7.411 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.125 6.320 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.277 6.062 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.652 7.234 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.174 8.265 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.208 9.382 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.139 9.551 -7.334 1.00 0.00 H new ATOM 1014 N ASP A 66 4.951 7.070 -7.537 1.00 0.00 N ATOM 1015 CA ASP A 66 5.870 5.926 -7.627 1.00 0.00 C ATOM 1016 C ASP A 66 5.242 4.647 -7.044 1.00 0.00 C ATOM 1017 O ASP A 66 5.389 4.330 -5.861 1.00 0.00 O ATOM 1018 CB ASP A 66 7.214 6.290 -6.980 1.00 0.00 C ATOM 1019 CG ASP A 66 8.303 5.225 -7.208 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.252 4.496 -8.228 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.252 5.155 -6.393 1.00 0.00 O ATOM 0 H ASP A 66 4.700 7.296 -6.574 1.00 0.00 H new ATOM 0 HA ASP A 66 6.062 5.701 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.557 7.244 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.069 6.429 -5.909 1.00 0.00 H new ATOM 1026 N ILE A 67 4.474 3.936 -7.874 1.00 0.00 N ATOM 1027 CA ILE A 67 3.736 2.723 -7.502 1.00 0.00 C ATOM 1028 C ILE A 67 4.683 1.521 -7.332 1.00 0.00 C ATOM 1029 O ILE A 67 5.485 1.215 -8.217 1.00 0.00 O ATOM 1030 CB ILE A 67 2.624 2.446 -8.541 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.734 3.706 -8.674 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.798 1.220 -8.120 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.517 3.575 -9.580 1.00 0.00 C ATOM 0 H ILE A 67 4.344 4.195 -8.852 1.00 0.00 H new ATOM 0 HA ILE A 67 3.262 2.882 -6.534 1.00 0.00 H new ATOM 0 HB ILE A 67 3.068 2.226 -9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.392 3.991 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.351 4.524 -9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.019 1.035 -8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.449 0.348 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.340 1.406 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.029 4.518 -9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.841 3.327 -10.591 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.133 2.785 -9.204 1.00 0.00 H new ATOM 1045 N VAL A 68 4.560 0.818 -6.200 1.00 0.00 N ATOM 1046 CA VAL A 68 5.347 -0.361 -5.800 1.00 0.00 C ATOM 1047 C VAL A 68 4.432 -1.577 -5.653 1.00 0.00 C ATOM 1048 O VAL A 68 3.514 -1.586 -4.833 1.00 0.00 O ATOM 1049 CB VAL A 68 6.118 -0.095 -4.492 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.892 -1.328 -4.006 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.133 1.037 -4.689 1.00 0.00 C ATOM 0 H VAL A 68 3.868 1.070 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 68 6.080 -0.567 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 68 5.368 0.173 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.417 -1.087 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.196 -2.147 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.614 -1.627 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.669 1.212 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.843 0.758 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.610 1.947 -4.983 1.00 0.00 H new ATOM 1061 N ASP A 69 4.681 -2.600 -6.467 1.00 0.00 N ATOM 1062 CA ASP A 69 3.979 -3.888 -6.494 1.00 0.00 C ATOM 1063 C ASP A 69 4.385 -4.808 -5.321 1.00 0.00 C ATOM 1064 O ASP A 69 5.398 -5.509 -5.363 1.00 0.00 O ATOM 1065 CB ASP A 69 4.157 -4.561 -7.868 1.00 0.00 C ATOM 1066 CG ASP A 69 5.619 -4.847 -8.271 1.00 0.00 C ATOM 1067 OD1 ASP A 69 6.434 -3.894 -8.342 1.00 0.00 O ATOM 1068 OD2 ASP A 69 5.943 -6.018 -8.593 1.00 0.00 O ATOM 0 H ASP A 69 5.421 -2.553 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 69 2.915 -3.696 -6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.605 -5.501 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.704 -3.925 -8.629 1.00 0.00 H new ATOM 1073 N GLU A 70 3.597 -4.796 -4.246 1.00 0.00 N ATOM 1074 CA GLU A 70 3.762 -5.653 -3.066 1.00 0.00 C ATOM 1075 C GLU A 70 3.183 -7.065 -3.273 1.00 0.00 C ATOM 1076 O GLU A 70 2.020 -7.223 -3.641 1.00 0.00 O ATOM 1077 CB GLU A 70 3.051 -5.027 -1.858 1.00 0.00 C ATOM 1078 CG GLU A 70 3.748 -3.775 -1.321 1.00 0.00 C ATOM 1079 CD GLU A 70 3.151 -3.388 0.044 1.00 0.00 C ATOM 1080 OE1 GLU A 70 3.375 -4.134 1.030 1.00 0.00 O ATOM 1081 OE2 GLU A 70 2.452 -2.353 0.134 1.00 0.00 O ATOM 0 H GLU A 70 2.797 -4.168 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 70 4.835 -5.737 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.029 -4.772 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.986 -5.767 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.818 -3.958 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.630 -2.952 -2.026 1.00 0.00 H new ATOM 1088 N LYS A 71 3.956 -8.109 -2.953 1.00 0.00 N ATOM 1089 CA LYS A 71 3.471 -9.489 -2.826 1.00 0.00 C ATOM 1090 C LYS A 71 2.405 -9.592 -1.729 1.00 0.00 C ATOM 1091 O LYS A 71 2.625 -9.096 -0.620 1.00 0.00 O ATOM 1092 CB LYS A 71 4.640 -10.446 -2.530 1.00 0.00 C ATOM 1093 CG LYS A 71 5.737 -10.487 -3.614 1.00 0.00 C ATOM 1094 CD LYS A 71 5.256 -10.882 -5.022 1.00 0.00 C ATOM 1095 CE LYS A 71 4.563 -12.252 -5.096 1.00 0.00 C ATOM 1096 NZ LYS A 71 5.498 -13.378 -4.829 1.00 0.00 N ATOM 0 H LYS A 71 4.955 -8.017 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 71 3.016 -9.779 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.096 -10.157 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.242 -11.452 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.206 -9.505 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.508 -11.191 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.566 -10.120 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.112 -10.884 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.747 -12.282 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.120 -12.378 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.983 -14.279 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.263 -13.368 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.902 -13.275 -3.876 1.00 0.00 H new ATOM 1110 N VAL A 72 1.274 -10.236 -2.017 1.00 0.00 N ATOM 1111 CA VAL A 72 0.245 -10.616 -1.032 1.00 0.00 C ATOM 1112 C VAL A 72 0.678 -11.862 -0.247 1.00 0.00 C ATOM 1113 O VAL A 72 1.423 -12.702 -0.755 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.110 -10.847 -1.749 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.171 -11.619 -0.951 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.765 -9.507 -2.107 1.00 0.00 C ATOM 0 H VAL A 72 1.036 -10.519 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 72 0.122 -9.803 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.828 -11.448 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.075 -11.720 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.789 -12.609 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.403 -11.077 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.715 -9.689 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.940 -8.933 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.106 -8.945 -2.769 1.00 0.00 H new ATOM 1126 N GLU A 73 0.186 -12.017 0.987 1.00 0.00 N ATOM 1127 CA GLU A 73 0.443 -13.196 1.827 1.00 0.00 C ATOM 1128 C GLU A 73 -0.755 -13.577 2.720 1.00 0.00 C ATOM 1129 O GLU A 73 -1.489 -12.711 3.206 1.00 0.00 O ATOM 1130 CB GLU A 73 1.709 -12.943 2.666 1.00 0.00 C ATOM 1131 CG GLU A 73 2.515 -14.223 2.889 1.00 0.00 C ATOM 1132 CD GLU A 73 3.874 -13.941 3.566 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.922 -13.223 4.595 1.00 0.00 O ATOM 1134 OE2 GLU A 73 4.913 -14.442 3.070 1.00 0.00 O ATOM 0 H GLU A 73 -0.408 -11.321 1.437 1.00 0.00 H new ATOM 0 HA GLU A 73 0.597 -14.052 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.334 -12.204 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.426 -12.520 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.938 -14.911 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.682 -14.717 1.932 1.00 0.00 H new ATOM 1141 N LEU A 74 -0.940 -14.881 2.947 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.060 -15.520 3.651 1.00 0.00 C ATOM 1143 C LEU A 74 -1.558 -16.244 4.915 1.00 0.00 C ATOM 1144 O LEU A 74 -0.773 -17.190 4.818 1.00 0.00 O ATOM 1145 CB LEU A 74 -2.750 -16.532 2.703 1.00 0.00 C ATOM 1146 CG LEU A 74 -3.837 -16.014 1.742 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -5.098 -15.579 2.484 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -3.385 -14.847 0.866 1.00 0.00 C ATOM 0 H LEU A 74 -0.262 -15.569 2.620 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.775 -14.754 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.974 -17.006 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.196 -17.312 3.319 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.047 -16.869 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.837 -15.221 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.507 -16.426 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.852 -14.778 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.206 -14.540 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.089 -14.010 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.537 -15.157 0.256 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.015 -15.830 6.100 1.00 0.00 N ATOM 1161 CA GLU A 75 -1.795 -16.555 7.363 1.00 0.00 C ATOM 1162 C GLU A 75 -3.017 -17.406 7.759 1.00 0.00 C ATOM 1163 O GLU A 75 -4.150 -17.098 7.382 1.00 0.00 O ATOM 1164 CB GLU A 75 -1.408 -15.587 8.498 1.00 0.00 C ATOM 1165 CG GLU A 75 -2.566 -14.721 9.024 1.00 0.00 C ATOM 1166 CD GLU A 75 -2.157 -13.758 10.162 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -1.155 -14.008 10.877 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -2.874 -12.751 10.380 1.00 0.00 O ATOM 0 H GLU A 75 -2.555 -14.972 6.215 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.962 -17.239 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.998 -16.165 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.613 -14.931 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.977 -14.140 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.362 -15.374 9.381 1.00 0.00 H new ATOM 1175 N CYS A 76 -2.804 -18.447 8.566 1.00 0.00 N ATOM 1176 CA CYS A 76 -3.881 -19.194 9.217 1.00 0.00 C ATOM 1177 C CYS A 76 -4.403 -18.475 10.485 1.00 0.00 C ATOM 1178 O CYS A 76 -3.720 -17.639 11.088 1.00 0.00 O ATOM 1179 CB CYS A 76 -3.337 -20.585 9.548 1.00 0.00 C ATOM 1180 SG CYS A 76 -4.683 -21.794 9.756 1.00 0.00 S ATOM 0 H CYS A 76 -1.872 -18.798 8.788 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.737 -19.268 8.547 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.670 -20.915 8.752 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.744 -20.537 10.462 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.338 -22.925 9.215 1.00 0.00 H new ATOM 1185 N LYS A 77 -5.615 -18.847 10.906 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.321 -18.368 12.112 1.00 0.00 C ATOM 1187 C LYS A 77 -5.648 -18.777 13.431 1.00 0.00 C ATOM 1188 O LYS A 77 -5.130 -17.925 14.153 1.00 0.00 O ATOM 1189 CB LYS A 77 -7.787 -18.849 12.081 1.00 0.00 C ATOM 1190 CG LYS A 77 -8.677 -18.035 11.129 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.043 -16.634 11.651 1.00 0.00 C ATOM 1192 CE LYS A 77 -9.908 -16.613 12.922 1.00 0.00 C ATOM 1193 NZ LYS A 77 -11.278 -17.144 12.693 1.00 0.00 N ATOM 0 H LYS A 77 -6.168 -19.530 10.388 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.280 -17.279 12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.811 -19.897 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.201 -18.795 13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.166 -17.932 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.595 -18.592 10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.122 -16.086 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.571 -16.097 10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.420 -17.202 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.976 -15.590 13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.818 -17.107 13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.758 -16.568 11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.218 -18.129 12.365 1.00 0.00 H new ATOM 1207 N ASP A 78 -5.691 -20.066 13.768 1.00 0.00 N ATOM 1208 CA ASP A 78 -5.307 -20.639 15.068 1.00 0.00 C ATOM 1209 C ASP A 78 -4.216 -21.713 14.888 1.00 0.00 C ATOM 1210 O ASP A 78 -4.391 -22.893 15.209 1.00 0.00 O ATOM 1211 CB ASP A 78 -6.564 -21.162 15.785 1.00 0.00 C ATOM 1212 CG ASP A 78 -7.472 -20.024 16.276 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -7.125 -19.367 17.288 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -8.547 -19.793 15.671 1.00 0.00 O ATOM 0 H ASP A 78 -6.010 -20.779 13.112 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.867 -19.870 15.703 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.125 -21.805 15.107 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.266 -21.778 16.634 1.00 0.00 H new ATOM 1219 N CYS A 79 -3.092 -21.281 14.310 1.00 0.00 N ATOM 1220 CA CYS A 79 -2.027 -22.101 13.741 1.00 0.00 C ATOM 1221 C CYS A 79 -0.644 -21.468 14.021 1.00 0.00 C ATOM 1222 O CYS A 79 -0.459 -20.712 14.979 1.00 0.00 O ATOM 1223 CB CYS A 79 -2.341 -22.202 12.239 1.00 0.00 C ATOM 1224 SG CYS A 79 -2.286 -23.877 11.542 1.00 0.00 S ATOM 0 H CYS A 79 -2.892 -20.285 14.223 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.984 -23.095 14.186 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.333 -21.787 12.064 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.633 -21.577 11.694 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.357 -23.810 10.246 1.00 0.00 H new ATOM 1229 N SER A 80 0.332 -21.791 13.170 1.00 0.00 N ATOM 1230 CA SER A 80 1.719 -21.303 13.229 1.00 0.00 C ATOM 1231 C SER A 80 2.375 -21.160 11.841 1.00 0.00 C ATOM 1232 O SER A 80 3.603 -21.112 11.727 1.00 0.00 O ATOM 1233 CB SER A 80 2.535 -22.212 14.160 1.00 0.00 C ATOM 1234 OG SER A 80 2.433 -23.574 13.764 1.00 0.00 O ATOM 0 H SER A 80 0.175 -22.426 12.387 1.00 0.00 H new ATOM 0 HA SER A 80 1.702 -20.292 13.636 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.581 -21.904 14.149 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.181 -22.100 15.185 1.00 0.00 H new ATOM 0 HG SER A 80 2.963 -24.132 14.371 1.00 0.00 H new ATOM 1240 N HIS A 81 1.569 -21.109 10.771 1.00 0.00 N ATOM 1241 CA HIS A 81 2.012 -21.171 9.373 1.00 0.00 C ATOM 1242 C HIS A 81 1.400 -20.063 8.486 1.00 0.00 C ATOM 1243 O HIS A 81 0.304 -19.555 8.749 1.00 0.00 O ATOM 1244 CB HIS A 81 1.700 -22.580 8.844 1.00 0.00 C ATOM 1245 CG HIS A 81 2.115 -22.776 7.412 1.00 0.00 C ATOM 1246 ND1 HIS A 81 3.408 -22.895 6.950 1.00 0.00 N ATOM 1247 CD2 HIS A 81 1.280 -22.733 6.330 1.00 0.00 C ATOM 1248 CE1 HIS A 81 3.357 -22.918 5.607 1.00 0.00 C ATOM 1249 NE2 HIS A 81 2.083 -22.818 5.189 1.00 0.00 N ATOM 0 H HIS A 81 0.557 -21.020 10.859 1.00 0.00 H new ATOM 0 HA HIS A 81 3.085 -20.983 9.332 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.207 -23.316 9.467 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.630 -22.768 8.935 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.250 -22.955 7.523 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.203 -22.649 6.353 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.215 -23.004 4.957 1.00 0.00 H new ATOM 1257 N VAL A 82 2.134 -19.695 7.428 1.00 0.00 N ATOM 1258 CA VAL A 82 1.867 -18.605 6.476 1.00 0.00 C ATOM 1259 C VAL A 82 2.361 -19.011 5.073 1.00 0.00 C ATOM 1260 O VAL A 82 3.458 -19.561 4.948 1.00 0.00 O ATOM 1261 CB VAL A 82 2.600 -17.321 6.936 1.00 0.00 C ATOM 1262 CG1 VAL A 82 2.265 -16.130 6.041 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.273 -16.907 8.378 1.00 0.00 C ATOM 0 H VAL A 82 2.996 -20.188 7.196 1.00 0.00 H new ATOM 0 HA VAL A 82 0.795 -18.413 6.439 1.00 0.00 H new ATOM 0 HB VAL A 82 3.657 -17.578 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.798 -15.248 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.566 -16.349 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.192 -15.942 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.823 -16.000 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.203 -16.720 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.561 -17.707 9.060 1.00 0.00 H new ATOM 1273 N PHE A 83 1.590 -18.722 4.018 1.00 0.00 N ATOM 1274 CA PHE A 83 1.923 -19.019 2.611 1.00 0.00 C ATOM 1275 C PHE A 83 1.460 -17.916 1.629 1.00 0.00 C ATOM 1276 O PHE A 83 0.832 -16.934 2.027 1.00 0.00 O ATOM 1277 CB PHE A 83 1.369 -20.412 2.238 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.141 -20.567 2.310 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -0.956 -20.072 1.275 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -0.741 -21.224 3.401 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.352 -20.205 1.331 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.139 -21.327 3.474 1.00 0.00 C ATOM 1283 CZ PHE A 83 -2.948 -20.833 2.436 1.00 0.00 C ATOM 0 H PHE A 83 0.686 -18.260 4.119 1.00 0.00 H new ATOM 0 HA PHE A 83 3.009 -19.034 2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.691 -20.650 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.823 -21.151 2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.501 -19.583 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.126 -21.648 4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.965 -19.826 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.597 -21.790 4.335 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.022 -20.936 2.488 1.00 0.00 H new ATOM 1293 N LYS A 84 1.757 -18.075 0.329 1.00 0.00 N ATOM 1294 CA LYS A 84 1.356 -17.164 -0.768 1.00 0.00 C ATOM 1295 C LYS A 84 0.208 -17.750 -1.622 1.00 0.00 C ATOM 1296 O LYS A 84 0.182 -18.965 -1.829 1.00 0.00 O ATOM 1297 CB LYS A 84 2.584 -16.749 -1.609 1.00 0.00 C ATOM 1298 CG LYS A 84 3.100 -17.752 -2.654 1.00 0.00 C ATOM 1299 CD LYS A 84 3.699 -19.032 -2.051 1.00 0.00 C ATOM 1300 CE LYS A 84 4.388 -19.874 -3.130 1.00 0.00 C ATOM 1301 NZ LYS A 84 3.414 -20.619 -3.972 1.00 0.00 N ATOM 0 H LYS A 84 2.303 -18.869 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 84 0.951 -16.255 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.340 -15.821 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.402 -16.527 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.279 -18.025 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.857 -17.264 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.417 -18.771 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.912 -19.617 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.991 -19.225 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.070 -20.580 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.915 -21.079 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.938 -21.342 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.706 -19.958 -4.351 1.00 0.00 H new ATOM 1315 N PRO A 85 -0.747 -16.931 -2.107 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.002 -17.419 -2.687 1.00 0.00 C ATOM 1317 C PRO A 85 -1.819 -18.074 -4.069 1.00 0.00 C ATOM 1318 O PRO A 85 -1.496 -17.403 -5.052 1.00 0.00 O ATOM 1319 CB PRO A 85 -2.925 -16.195 -2.744 1.00 0.00 C ATOM 1320 CG PRO A 85 -1.959 -15.017 -2.854 1.00 0.00 C ATOM 1321 CD PRO A 85 -0.746 -15.475 -2.043 1.00 0.00 C ATOM 0 HA PRO A 85 -2.424 -18.218 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.599 -16.241 -3.599 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.547 -16.121 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.694 -14.810 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.392 -14.103 -2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.176 -15.067 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.813 -15.130 -1.011 1.00 0.00 H new ATOM 1329 N ASN A 86 -2.065 -19.385 -4.154 1.00 0.00 N ATOM 1330 CA ASN A 86 -2.159 -20.178 -5.378 1.00 0.00 C ATOM 1331 C ASN A 86 -3.222 -21.287 -5.208 1.00 0.00 C ATOM 1332 O ASN A 86 -3.495 -21.739 -4.092 1.00 0.00 O ATOM 1333 CB ASN A 86 -0.786 -20.806 -5.703 1.00 0.00 C ATOM 1334 CG ASN A 86 0.280 -19.799 -6.102 1.00 0.00 C ATOM 1335 OD1 ASN A 86 1.211 -19.517 -5.359 1.00 0.00 O ATOM 1336 ND2 ASN A 86 0.215 -19.257 -7.297 1.00 0.00 N ATOM 0 H ASN A 86 -2.212 -19.952 -3.319 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.456 -19.528 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.438 -21.361 -4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.911 -21.526 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.938 -18.605 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.558 -19.488 -7.920 1.00 0.00 H new ATOM 1405 N GLY A 91 -5.979 -25.441 -1.906 1.00 0.00 N ATOM 1406 CA GLY A 91 -5.624 -24.108 -1.378 1.00 0.00 C ATOM 1407 C GLY A 91 -5.762 -23.942 0.149 1.00 0.00 C ATOM 1408 O GLY A 91 -5.817 -22.815 0.644 1.00 0.00 O ATOM 0 HA2 GLY A 91 -4.594 -23.888 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.254 -23.364 -1.866 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.894 -25.046 0.888 1.00 0.00 N ATOM 1413 CA VAL A 92 -5.995 -25.116 2.359 1.00 0.00 C ATOM 1414 C VAL A 92 -4.685 -24.744 3.081 1.00 0.00 C ATOM 1415 O VAL A 92 -3.623 -24.674 2.456 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.448 -26.523 2.797 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -7.878 -26.822 2.330 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.535 -27.645 2.286 1.00 0.00 C ATOM 0 H VAL A 92 -5.936 -25.970 0.458 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.738 -24.373 2.649 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.397 -26.507 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.166 -27.822 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.562 -26.090 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.924 -26.767 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.913 -28.607 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.518 -27.632 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.525 -27.494 2.667 1.00 0.00 H new ATOM 1428 N CYS A 93 -4.742 -24.553 4.405 1.00 0.00 N ATOM 1429 CA CYS A 93 -3.553 -24.454 5.258 1.00 0.00 C ATOM 1430 C CYS A 93 -2.736 -25.766 5.218 1.00 0.00 C ATOM 1431 O CYS A 93 -3.279 -26.876 5.228 1.00 0.00 O ATOM 1432 CB CYS A 93 -3.965 -23.944 6.656 1.00 0.00 C ATOM 1433 SG CYS A 93 -2.725 -24.278 7.949 1.00 0.00 S ATOM 0 H CYS A 93 -5.620 -24.462 4.917 1.00 0.00 H new ATOM 0 HA CYS A 93 -2.854 -23.708 4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.143 -22.870 6.604 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -4.909 -24.410 6.940 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.311 -24.791 8.990 1.00 0.00 H new ATOM 1438 N GLU A 94 -1.411 -25.624 5.094 1.00 0.00 N ATOM 1439 CA GLU A 94 -0.469 -26.743 4.950 1.00 0.00 C ATOM 1440 C GLU A 94 -0.504 -27.683 6.161 1.00 0.00 C ATOM 1441 O GLU A 94 -0.429 -28.907 6.018 1.00 0.00 O ATOM 1442 CB GLU A 94 0.966 -26.222 4.791 1.00 0.00 C ATOM 1443 CG GLU A 94 1.230 -25.549 3.443 1.00 0.00 C ATOM 1444 CD GLU A 94 1.347 -26.577 2.300 1.00 0.00 C ATOM 1445 OE1 GLU A 94 2.460 -27.111 2.071 1.00 0.00 O ATOM 1446 OE2 GLU A 94 0.331 -26.865 1.622 1.00 0.00 O ATOM 0 H GLU A 94 -0.954 -24.712 5.091 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.776 -27.295 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.175 -25.510 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.661 -27.053 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.423 -24.851 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.149 -24.966 3.502 1.00 0.00 H new ATOM 1453 N LYS A 95 -0.615 -27.094 7.357 1.00 0.00 N ATOM 1454 CA LYS A 95 -0.799 -27.800 8.632 1.00 0.00 C ATOM 1455 C LYS A 95 -2.206 -28.386 8.773 1.00 0.00 C ATOM 1456 O LYS A 95 -2.348 -29.592 8.987 1.00 0.00 O ATOM 1457 CB LYS A 95 -0.540 -26.853 9.805 1.00 0.00 C ATOM 1458 CG LYS A 95 0.943 -26.511 9.973 1.00 0.00 C ATOM 1459 CD LYS A 95 1.132 -25.503 11.112 1.00 0.00 C ATOM 1460 CE LYS A 95 0.715 -26.072 12.479 1.00 0.00 C ATOM 1461 NZ LYS A 95 -0.009 -25.063 13.286 1.00 0.00 N ATOM 0 H LYS A 95 -0.578 -26.081 7.469 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.083 -28.622 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.106 -25.933 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.910 -27.309 10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.511 -27.418 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.335 -26.098 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.178 -25.198 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.547 -24.608 10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.081 -26.946 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.600 -26.407 13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.588 -25.543 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.676 -24.437 13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.625 -24.499 12.666 1.00 0.00 H new ATOM 1475 N CYS A 96 -3.220 -27.520 8.717 1.00 0.00 N ATOM 1476 CA CYS A 96 -4.614 -27.827 9.043 1.00 0.00 C ATOM 1477 C CYS A 96 -5.542 -27.641 7.818 1.00 0.00 C ATOM 1478 O CYS A 96 -5.691 -26.549 7.278 1.00 0.00 O ATOM 1479 CB CYS A 96 -5.010 -27.105 10.352 1.00 0.00 C ATOM 1480 SG CYS A 96 -5.355 -25.340 10.236 1.00 0.00 S ATOM 0 H CYS A 96 -3.088 -26.549 8.433 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.742 -28.886 9.266 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.894 -27.598 10.757 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.206 -27.247 11.074 1.00 0.00 H new ATOM 0 HG CYS A 96 -4.333 -24.668 10.676 1.00 0.00 H new ATOM 1485 N HIS A 97 -6.100 -28.742 7.299 1.00 0.00 N ATOM 1486 CA HIS A 97 -6.712 -28.795 5.963 1.00 0.00 C ATOM 1487 C HIS A 97 -8.098 -28.107 5.863 1.00 0.00 C ATOM 1488 O HIS A 97 -9.125 -28.755 5.638 1.00 0.00 O ATOM 1489 CB HIS A 97 -6.751 -30.247 5.466 1.00 0.00 C ATOM 1490 CG HIS A 97 -5.435 -30.983 5.556 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -5.233 -32.196 6.179 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -4.234 -30.577 5.035 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -3.936 -32.523 6.036 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -3.291 -31.568 5.342 1.00 0.00 N ATOM 0 H HIS A 97 -6.140 -29.630 7.799 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.075 -28.205 5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.497 -30.794 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.084 -30.252 4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.049 -29.664 4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.479 -33.422 6.422 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.303 -31.565 5.087 1.00 0.00 H new ATOM 1502 N SER A 98 -8.116 -26.779 5.986 1.00 0.00 N ATOM 1503 CA SER A 98 -9.281 -25.893 5.868 1.00 0.00 C ATOM 1504 C SER A 98 -8.918 -24.583 5.148 1.00 0.00 C ATOM 1505 O SER A 98 -7.748 -24.201 5.061 1.00 0.00 O ATOM 1506 CB SER A 98 -9.840 -25.586 7.268 1.00 0.00 C ATOM 1507 OG SER A 98 -10.384 -26.745 7.885 1.00 0.00 O ATOM 0 H SER A 98 -7.262 -26.257 6.184 1.00 0.00 H new ATOM 0 HA SER A 98 -10.039 -26.403 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.047 -25.179 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.611 -24.819 7.191 1.00 0.00 H new ATOM 0 HG SER A 98 -10.728 -26.512 8.773 1.00 0.00 H new ATOM 1513 N LYS A 99 -9.936 -23.881 4.633 1.00 0.00 N ATOM 1514 CA LYS A 99 -9.848 -22.607 3.882 1.00 0.00 C ATOM 1515 C LYS A 99 -9.956 -21.349 4.769 1.00 0.00 C ATOM 1516 O LYS A 99 -10.161 -20.246 4.266 1.00 0.00 O ATOM 1517 CB LYS A 99 -10.931 -22.608 2.779 1.00 0.00 C ATOM 1518 CG LYS A 99 -10.752 -23.690 1.700 1.00 0.00 C ATOM 1519 CD LYS A 99 -9.509 -23.455 0.828 1.00 0.00 C ATOM 1520 CE LYS A 99 -9.390 -24.488 -0.299 1.00 0.00 C ATOM 1521 NZ LYS A 99 -10.462 -24.349 -1.319 1.00 0.00 N ATOM 0 H LYS A 99 -10.900 -24.199 4.731 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.853 -22.553 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.906 -22.740 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.939 -21.631 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.676 -24.666 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.637 -23.714 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.552 -22.454 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.616 -23.496 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.419 -24.383 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.427 -25.491 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.269 -24.989 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.379 -24.592 -0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.489 -23.368 -1.663 1.00 0.00 H new ATOM 1535 N ASN A 100 -9.832 -21.501 6.089 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.030 -20.457 7.108 1.00 0.00 C ATOM 1537 C ASN A 100 -9.017 -19.285 7.080 1.00 0.00 C ATOM 1538 O ASN A 100 -9.170 -18.337 7.850 1.00 0.00 O ATOM 1539 CB ASN A 100 -10.020 -21.142 8.489 1.00 0.00 C ATOM 1540 CG ASN A 100 -8.652 -21.702 8.852 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -8.370 -22.868 8.638 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -7.765 -20.883 9.367 1.00 0.00 N ATOM 0 H ASN A 100 -9.578 -22.399 6.501 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.984 -19.980 6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.329 -20.424 9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.753 -21.949 8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -6.829 -21.221 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.011 -19.909 9.542 1.00 0.00 H new ATOM 1549 N VAL A 101 -7.959 -19.369 6.269 1.00 0.00 N ATOM 1550 CA VAL A 101 -6.866 -18.386 6.167 1.00 0.00 C ATOM 1551 C VAL A 101 -7.345 -16.955 5.874 1.00 0.00 C ATOM 1552 O VAL A 101 -8.366 -16.743 5.214 1.00 0.00 O ATOM 1553 CB VAL A 101 -5.836 -18.821 5.102 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.126 -20.112 5.522 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.442 -19.049 3.708 1.00 0.00 C ATOM 0 H VAL A 101 -7.831 -20.158 5.635 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.397 -18.364 7.151 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.135 -17.989 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.406 -20.397 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.606 -19.951 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.861 -20.908 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.657 -19.352 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.199 -19.832 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.901 -18.125 3.355 1.00 0.00 H new ATOM 1565 N ILE A 102 -6.571 -15.966 6.331 1.00 0.00 N ATOM 1566 CA ILE A 102 -6.798 -14.526 6.113 1.00 0.00 C ATOM 1567 C ILE A 102 -5.556 -13.820 5.550 1.00 0.00 C ATOM 1568 O ILE A 102 -4.421 -14.255 5.750 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.308 -13.815 7.388 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.320 -13.828 8.581 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -8.712 -14.312 7.775 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.306 -15.084 9.465 1.00 0.00 C ATOM 0 H ILE A 102 -5.735 -16.149 6.886 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.584 -14.455 5.361 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.382 -12.760 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.314 -13.679 8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.544 -12.970 9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.046 -13.795 8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.407 -14.108 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -8.679 -15.385 7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.571 -14.961 10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.293 -15.232 9.903 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.044 -15.952 8.860 1.00 0.00 H new ATOM 1584 N ILE A 103 -5.768 -12.711 4.836 1.00 0.00 N ATOM 1585 CA ILE A 103 -4.719 -11.944 4.160 1.00 0.00 C ATOM 1586 C ILE A 103 -3.997 -11.084 5.206 1.00 0.00 C ATOM 1587 O ILE A 103 -4.565 -10.124 5.731 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.282 -11.094 2.994 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -5.983 -11.894 1.867 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.109 -10.346 2.334 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.361 -12.481 2.203 1.00 0.00 C ATOM 0 H ILE A 103 -6.698 -12.312 4.709 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.006 -12.630 3.703 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.034 -10.446 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.092 -11.241 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -5.327 -12.712 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.482 -9.740 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.629 -9.701 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.384 -11.067 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.749 -13.017 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.268 -13.168 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.045 -11.675 2.467 1.00 0.00 H new ATOM 1603 N THR A 104 -2.750 -11.437 5.526 1.00 0.00 N ATOM 1604 CA THR A 104 -1.918 -10.719 6.512 1.00 0.00 C ATOM 1605 C THR A 104 -1.118 -9.563 5.888 1.00 0.00 C ATOM 1606 O THR A 104 -0.492 -8.777 6.601 1.00 0.00 O ATOM 1607 CB THR A 104 -0.999 -11.709 7.255 1.00 0.00 C ATOM 1608 OG1 THR A 104 -0.327 -11.095 8.335 1.00 0.00 O ATOM 1609 CG2 THR A 104 0.046 -12.394 6.373 1.00 0.00 C ATOM 0 H THR A 104 -2.278 -12.238 5.106 1.00 0.00 H new ATOM 0 HA THR A 104 -2.593 -10.259 7.234 1.00 0.00 H new ATOM 0 HB THR A 104 -1.685 -12.476 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.276 -10.128 8.181 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.646 -13.072 6.980 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.455 -12.958 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.693 -11.641 5.923 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.108 -9.463 4.554 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.209 -8.615 3.771 1.00 0.00 C ATOM 1619 C GLN A 105 -0.797 -8.437 2.366 1.00 0.00 C ATOM 1620 O GLN A 105 -1.122 -9.420 1.703 1.00 0.00 O ATOM 1621 CB GLN A 105 1.173 -9.302 3.758 1.00 0.00 C ATOM 1622 CG GLN A 105 2.137 -8.893 2.639 1.00 0.00 C ATOM 1623 CD GLN A 105 2.430 -7.396 2.553 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.337 -6.644 3.515 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.774 -6.910 1.382 1.00 0.00 N ATOM 0 H GLN A 105 -1.753 -9.993 3.969 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.097 -7.618 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.659 -9.106 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.017 -10.379 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.078 -9.425 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.724 -9.222 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.854 -7.530 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.962 -5.913 1.279 1.00 0.00 H new ATOM 1634 N GLY A 106 -0.946 -7.189 1.916 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.464 -6.841 0.586 1.00 0.00 C ATOM 1636 C GLY A 106 -2.998 -6.847 0.453 1.00 0.00 C ATOM 1637 O GLY A 106 -3.513 -6.789 -0.663 1.00 0.00 O ATOM 0 H GLY A 106 -0.705 -6.372 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.097 -5.850 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.050 -7.540 -0.141 1.00 0.00 H new ATOM 1641 N ASN A 107 -3.735 -6.910 1.572 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.205 -6.877 1.630 1.00 0.00 C ATOM 1643 C ASN A 107 -5.802 -5.609 0.985 1.00 0.00 C ATOM 1644 O ASN A 107 -6.846 -5.657 0.333 1.00 0.00 O ATOM 1645 CB ASN A 107 -5.613 -6.986 3.113 1.00 0.00 C ATOM 1646 CG ASN A 107 -7.103 -6.785 3.341 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.542 -5.797 3.911 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -7.934 -7.700 2.901 1.00 0.00 N ATOM 0 H ASN A 107 -3.309 -6.988 2.495 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.603 -7.712 1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.323 -7.966 3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.060 -6.245 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.938 -7.584 3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.576 -8.527 2.424 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.127 -4.478 1.175 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.469 -3.149 0.669 1.00 0.00 C ATOM 1657 C GLU A 108 -4.194 -2.348 0.335 1.00 0.00 C ATOM 1658 O GLU A 108 -3.080 -2.784 0.645 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.366 -2.436 1.695 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.790 -2.366 3.118 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.638 -1.444 4.019 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -7.794 -1.801 4.356 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -6.152 -0.355 4.409 1.00 0.00 O ATOM 0 H GLU A 108 -4.268 -4.464 1.724 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.028 -3.236 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.558 -1.421 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.328 -2.947 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.755 -3.367 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.764 -1.999 3.080 1.00 0.00 H new ATOM 1670 N MET A 109 -4.345 -1.180 -0.299 1.00 0.00 N ATOM 1671 CA MET A 109 -3.230 -0.336 -0.754 1.00 0.00 C ATOM 1672 C MET A 109 -3.100 0.948 0.088 1.00 0.00 C ATOM 1673 O MET A 109 -4.092 1.427 0.649 1.00 0.00 O ATOM 1674 CB MET A 109 -3.367 -0.099 -2.269 1.00 0.00 C ATOM 1675 CG MET A 109 -4.052 1.198 -2.701 1.00 0.00 C ATOM 1676 SD MET A 109 -2.915 2.612 -2.707 1.00 0.00 S ATOM 1677 CE MET A 109 -4.064 3.932 -3.121 1.00 0.00 C ATOM 0 H MET A 109 -5.261 -0.786 -0.515 1.00 0.00 H new ATOM 0 HA MET A 109 -2.282 -0.850 -0.595 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.370 -0.120 -2.708 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.921 -0.935 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.472 1.069 -3.698 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.884 1.407 -2.029 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.794 4.835 -2.573 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.020 4.130 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.076 3.632 -2.849 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.883 1.501 0.188 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.561 2.696 0.998 1.00 0.00 C ATOM 1689 C ARG A 110 -0.256 3.382 0.574 1.00 0.00 C ATOM 1690 O ARG A 110 0.573 2.794 -0.121 1.00 0.00 O ATOM 1691 CB ARG A 110 -1.518 2.309 2.495 1.00 0.00 C ATOM 1692 CG ARG A 110 -0.433 1.273 2.852 1.00 0.00 C ATOM 1693 CD ARG A 110 -0.521 0.807 4.314 1.00 0.00 C ATOM 1694 NE ARG A 110 -0.443 1.918 5.288 1.00 0.00 N ATOM 1695 CZ ARG A 110 0.636 2.532 5.744 1.00 0.00 C ATOM 1696 NH1 ARG A 110 1.832 2.254 5.314 1.00 0.00 N ATOM 1697 NH2 ARG A 110 0.528 3.451 6.661 1.00 0.00 N ATOM 0 H ARG A 110 -1.072 1.124 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.351 3.427 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.352 3.210 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.491 1.912 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.528 0.410 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.551 1.705 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.458 0.269 4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.286 0.102 4.512 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.334 2.253 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.963 1.539 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.638 2.751 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.390 3.699 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.362 3.923 7.011 1.00 0.00 H new ATOM 1711 N LEU A 111 -0.038 4.614 1.041 1.00 0.00 N ATOM 1712 CA LEU A 111 1.258 5.304 0.931 1.00 0.00 C ATOM 1713 C LEU A 111 2.390 4.519 1.621 1.00 0.00 C ATOM 1714 O LEU A 111 2.146 3.739 2.544 1.00 0.00 O ATOM 1715 CB LEU A 111 1.124 6.759 1.427 1.00 0.00 C ATOM 1716 CG LEU A 111 0.886 6.982 2.939 1.00 0.00 C ATOM 1717 CD1 LEU A 111 2.178 6.992 3.764 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.223 8.346 3.148 1.00 0.00 C ATOM 0 H LEU A 111 -0.756 5.167 1.509 1.00 0.00 H new ATOM 0 HA LEU A 111 1.547 5.348 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.032 7.294 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.300 7.224 0.885 1.00 0.00 H new ATOM 0 HG LEU A 111 0.264 6.151 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.937 7.153 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.689 6.036 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.827 7.794 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.053 8.509 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.874 9.130 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.730 8.372 2.620 1.00 0.00 H new ATOM 1730 N LEU A 112 3.632 4.743 1.189 1.00 0.00 N ATOM 1731 CA LEU A 112 4.813 3.984 1.615 1.00 0.00 C ATOM 1732 C LEU A 112 5.953 4.907 2.089 1.00 0.00 C ATOM 1733 O LEU A 112 6.490 4.706 3.180 1.00 0.00 O ATOM 1734 CB LEU A 112 5.223 3.057 0.452 1.00 0.00 C ATOM 1735 CG LEU A 112 6.152 1.891 0.836 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.458 0.867 1.739 1.00 0.00 C ATOM 1737 CD2 LEU A 112 6.608 1.160 -0.428 1.00 0.00 C ATOM 0 H LEU A 112 3.852 5.476 0.515 1.00 0.00 H new ATOM 0 HA LEU A 112 4.576 3.374 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.320 2.647 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.717 3.657 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 112 6.994 2.323 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.155 0.065 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.131 1.354 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.593 0.452 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.266 0.335 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.738 0.770 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.146 1.853 -1.075 1.00 0.00 H new ATOM 1749 N SER A 113 6.292 5.932 1.301 1.00 0.00 N ATOM 1750 CA SER A 113 7.250 7.006 1.628 1.00 0.00 C ATOM 1751 C SER A 113 7.099 8.204 0.673 1.00 0.00 C ATOM 1752 O SER A 113 6.255 8.185 -0.225 1.00 0.00 O ATOM 1753 CB SER A 113 8.694 6.473 1.616 1.00 0.00 C ATOM 1754 OG SER A 113 9.065 5.952 0.353 1.00 0.00 O ATOM 0 H SER A 113 5.889 6.046 0.371 1.00 0.00 H new ATOM 0 HA SER A 113 7.024 7.357 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.378 7.277 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.798 5.695 2.372 1.00 0.00 H new ATOM 0 HG SER A 113 9.989 5.627 0.392 1.00 0.00 H new ATOM 1760 N LEU A 114 7.892 9.269 0.850 1.00 0.00 N ATOM 1761 CA LEU A 114 7.971 10.414 -0.071 1.00 0.00 C ATOM 1762 C LEU A 114 9.437 10.840 -0.285 1.00 0.00 C ATOM 1763 O LEU A 114 10.314 10.498 0.512 1.00 0.00 O ATOM 1764 CB LEU A 114 7.141 11.623 0.423 1.00 0.00 C ATOM 1765 CG LEU A 114 5.686 11.398 0.897 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.562 10.897 2.343 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.943 12.736 0.879 1.00 0.00 C ATOM 0 H LEU A 114 8.511 9.362 1.655 1.00 0.00 H new ATOM 0 HA LEU A 114 7.546 10.085 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.687 12.081 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.113 12.354 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 114 5.280 10.646 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.509 10.766 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.080 9.943 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.008 11.626 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.916 12.586 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.442 13.438 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.941 13.137 -0.134 1.00 0.00 H new ATOM 1779 N GLU A 115 9.700 11.629 -1.328 1.00 0.00 N ATOM 1780 CA GLU A 115 11.012 12.211 -1.633 1.00 0.00 C ATOM 1781 C GLU A 115 10.890 13.656 -2.148 1.00 0.00 C ATOM 1782 O GLU A 115 9.937 14.011 -2.848 1.00 0.00 O ATOM 1783 CB GLU A 115 11.727 11.301 -2.649 1.00 0.00 C ATOM 1784 CG GLU A 115 13.184 11.680 -2.951 1.00 0.00 C ATOM 1785 CD GLU A 115 14.071 11.637 -1.692 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.053 12.616 -0.908 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.782 10.624 -1.477 1.00 0.00 O ATOM 0 H GLU A 115 8.984 11.890 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 115 11.604 12.267 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.704 10.277 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.164 11.312 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.587 10.998 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.215 12.681 -3.381 1.00 0.00 H new ATOM 1794 N MET A 116 11.877 14.495 -1.824 1.00 0.00 N ATOM 1795 CA MET A 116 11.923 15.933 -2.119 1.00 0.00 C ATOM 1796 C MET A 116 13.274 16.335 -2.738 1.00 0.00 C ATOM 1797 O MET A 116 14.311 15.731 -2.454 1.00 0.00 O ATOM 1798 CB MET A 116 11.662 16.735 -0.829 1.00 0.00 C ATOM 1799 CG MET A 116 10.284 16.451 -0.212 1.00 0.00 C ATOM 1800 SD MET A 116 9.983 17.335 1.342 1.00 0.00 S ATOM 1801 CE MET A 116 8.360 16.663 1.783 1.00 0.00 C ATOM 0 H MET A 116 12.707 14.176 -1.324 1.00 0.00 H new ATOM 0 HA MET A 116 11.146 16.160 -2.849 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.436 16.499 -0.099 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.743 17.800 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.511 16.724 -0.930 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.189 15.380 -0.034 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.144 16.889 2.827 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.596 17.112 1.149 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.362 15.583 1.639 1.00 0.00 H new ATOM 1811 N LEU A 117 13.278 17.380 -3.571 1.00 0.00 N ATOM 1812 CA LEU A 117 14.454 17.929 -4.226 1.00 0.00 C ATOM 1813 C LEU A 117 15.224 18.830 -3.238 1.00 0.00 C ATOM 1814 O LEU A 117 14.765 19.924 -2.899 1.00 0.00 O ATOM 1815 CB LEU A 117 13.940 18.636 -5.497 1.00 0.00 C ATOM 1816 CG LEU A 117 14.933 19.603 -6.142 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.265 18.951 -6.524 1.00 0.00 C ATOM 1818 CD2 LEU A 117 14.322 20.226 -7.397 1.00 0.00 C ATOM 0 H LEU A 117 12.424 17.882 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 117 15.182 17.176 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.665 17.878 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.031 19.184 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 117 15.142 20.361 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.919 19.697 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 117 16.740 18.545 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.085 18.147 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 117 15.038 20.913 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.075 19.440 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.416 20.770 -7.129 1.00 0.00 H new