USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 967 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 NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 129 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 129 ZNZN :(H bumps) USER MOD NoAdj-H: A 113 HIS HE2 : A 113 HIS NE2 : A 130 ZNZN :(H bumps) USER MOD NoAdj-H: A 119 HIS HD1 : A 119 HIS ND1 : A 130 ZNZN :(H bumps) USER MOD Set 1.1: A 74 SER OG : rot 140:sc= 0.958 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 171:sc= 1.86 (180deg=0.672) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.83) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.12) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 77:sc= 0.706 USER MOD Single : A 27 ASN : amide:sc= 0.887 K(o=0.89,f=-0.00014) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.359 K(o=0.36,f=-2.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.148 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0.913 (180deg=0.893) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 2.48 (180deg=1.16) USER MOD Single : A 53 TYR OH : rot -160:sc= 0.498 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.909 K(o=0.91,f=-3.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.679 K(o=0.68,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -80:sc= 0.194 USER MOD Single : A 95 LYS NZ :NH3+ -145:sc= 1.26 (180deg=0.695) USER MOD Single : A 96 CYS SG : rot 26:sc= 0.175 USER MOD Single : A 101 ASN : amide:sc= 0.447 X(o=0.45,f=0) USER MOD Single : A 102 MET CE :methyl -171:sc= -0.0171 (180deg=-0.0289) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00482 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00832 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -2:sc= 0.505 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 1.41 K(o=1.4,f=-6.9!) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -4.402 15.551 -15.948 1.00 1.00 N ATOM 2 CA ALA A 2 -5.481 16.535 -15.841 1.00 1.00 C ATOM 3 C ALA A 2 -5.757 16.973 -14.382 1.00 1.00 C ATOM 4 O ALA A 2 -5.425 16.264 -13.425 1.00 1.00 O ATOM 5 CB ALA A 2 -6.737 15.936 -16.489 1.00 1.00 C ATOM 0 HA ALA A 2 -5.178 17.443 -16.362 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -7.557 16.651 -16.422 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -6.535 15.713 -17.537 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -7.012 15.018 -15.969 1.00 1.00 H new ATOM 11 N ASP A 3 -6.396 18.134 -14.213 1.00 1.00 N ATOM 12 CA ASP A 3 -6.762 18.717 -12.914 1.00 1.00 C ATOM 13 C ASP A 3 -8.030 19.594 -12.991 1.00 1.00 C ATOM 14 O ASP A 3 -8.458 20.009 -14.074 1.00 1.00 O ATOM 15 CB ASP A 3 -5.578 19.525 -12.350 1.00 1.00 C ATOM 16 CG ASP A 3 -5.321 20.843 -13.106 1.00 1.00 C ATOM 17 OD1 ASP A 3 -4.632 20.826 -14.156 1.00 1.00 O ATOM 18 OD2 ASP A 3 -5.782 21.912 -12.636 1.00 1.00 O ATOM 0 H ASP A 3 -6.683 18.715 -15.001 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.995 17.892 -12.241 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -5.767 19.748 -11.300 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -4.678 18.911 -12.388 1.00 1.00 H new ATOM 23 N GLU A 4 -8.625 19.887 -11.834 1.00 1.00 N ATOM 24 CA GLU A 4 -9.829 20.715 -11.671 1.00 1.00 C ATOM 25 C GLU A 4 -9.865 21.417 -10.296 1.00 1.00 C ATOM 26 O GLU A 4 -9.097 21.082 -9.387 1.00 1.00 O ATOM 27 CB GLU A 4 -11.102 19.868 -11.897 1.00 1.00 C ATOM 28 CG GLU A 4 -11.363 18.740 -10.882 1.00 1.00 C ATOM 29 CD GLU A 4 -10.417 17.533 -11.053 1.00 1.00 C ATOM 30 OE1 GLU A 4 -10.582 16.760 -12.028 1.00 1.00 O ATOM 31 OE2 GLU A 4 -9.520 17.327 -10.197 1.00 1.00 O ATOM 0 H GLU A 4 -8.268 19.540 -10.944 1.00 1.00 H new ATOM 0 HA GLU A 4 -9.796 21.499 -12.427 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -11.963 20.537 -11.893 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -11.046 19.426 -12.892 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -11.255 19.137 -9.873 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -12.394 18.402 -10.983 1.00 1.00 H new ATOM 38 N PHE A 5 -10.771 22.386 -10.127 1.00 1.00 N ATOM 39 CA PHE A 5 -10.946 23.129 -8.872 1.00 1.00 C ATOM 40 C PHE A 5 -11.660 22.286 -7.794 1.00 1.00 C ATOM 41 O PHE A 5 -12.497 21.430 -8.103 1.00 1.00 O ATOM 42 CB PHE A 5 -11.733 24.417 -9.170 1.00 1.00 C ATOM 43 CG PHE A 5 -11.933 25.315 -7.962 1.00 1.00 C ATOM 44 CD1 PHE A 5 -10.869 26.107 -7.489 1.00 1.00 C ATOM 45 CD2 PHE A 5 -13.170 25.337 -7.288 1.00 1.00 C ATOM 46 CE1 PHE A 5 -11.040 26.915 -6.351 1.00 1.00 C ATOM 47 CE2 PHE A 5 -13.341 26.143 -6.149 1.00 1.00 C ATOM 48 CZ PHE A 5 -12.276 26.932 -5.680 1.00 1.00 C ATOM 0 H PHE A 5 -11.411 22.680 -10.865 1.00 1.00 H new ATOM 0 HA PHE A 5 -9.963 23.376 -8.470 1.00 1.00 H new ATOM 0 HB2 PHE A 5 -11.210 24.979 -9.944 1.00 1.00 H new ATOM 0 HB3 PHE A 5 -12.709 24.148 -9.575 1.00 1.00 H new ATOM 0 HD1 PHE A 5 -9.919 26.094 -8.002 1.00 1.00 H new ATOM 0 HD2 PHE A 5 -13.990 24.733 -7.648 1.00 1.00 H new ATOM 0 HE1 PHE A 5 -10.222 27.523 -5.992 1.00 1.00 H new ATOM 0 HE2 PHE A 5 -14.290 26.156 -5.634 1.00 1.00 H new ATOM 0 HZ PHE A 5 -12.407 27.551 -4.805 1.00 1.00 H new ATOM 58 N GLY A 6 -11.352 22.546 -6.520 1.00 1.00 N ATOM 59 CA GLY A 6 -11.944 21.866 -5.362 1.00 1.00 C ATOM 60 C GLY A 6 -11.372 22.338 -4.019 1.00 1.00 C ATOM 61 O GLY A 6 -10.436 23.142 -3.971 1.00 1.00 O ATOM 0 H GLY A 6 -10.666 23.254 -6.258 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -13.022 22.029 -5.367 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -11.783 20.792 -5.459 1.00 1.00 H new ATOM 65 N ASN A 7 -11.941 21.831 -2.922 1.00 1.00 N ATOM 66 CA ASN A 7 -11.560 22.144 -1.537 1.00 1.00 C ATOM 67 C ASN A 7 -11.866 20.973 -0.573 1.00 1.00 C ATOM 68 O ASN A 7 -12.547 20.010 -0.937 1.00 1.00 O ATOM 69 CB ASN A 7 -12.278 23.440 -1.097 1.00 1.00 C ATOM 70 CG ASN A 7 -13.780 23.273 -0.889 1.00 1.00 C ATOM 71 OD1 ASN A 7 -14.537 22.960 -1.798 1.00 1.00 O ATOM 72 ND2 ASN A 7 -14.269 23.477 0.315 1.00 1.00 N ATOM 0 H ASN A 7 -12.711 21.164 -2.974 1.00 1.00 H new ATOM 0 HA ASN A 7 -10.482 22.298 -1.497 1.00 1.00 H new ATOM 0 HB2 ASN A 7 -11.830 23.795 -0.169 1.00 1.00 H new ATOM 0 HB3 ASN A 7 -12.108 24.211 -1.849 1.00 1.00 H new ATOM 0 HD21 ASN A 7 -15.270 23.374 0.483 1.00 1.00 H new ATOM 0 HD22 ASN A 7 -13.647 23.738 1.080 1.00 1.00 H new ATOM 79 N GLY A 8 -11.381 21.068 0.671 1.00 1.00 N ATOM 80 CA GLY A 8 -11.598 20.069 1.726 1.00 1.00 C ATOM 81 C GLY A 8 -11.148 20.544 3.114 1.00 1.00 C ATOM 82 O GLY A 8 -10.419 21.531 3.244 1.00 1.00 O ATOM 0 H GLY A 8 -10.815 21.858 0.979 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -12.657 19.814 1.763 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -11.059 19.157 1.469 1.00 1.00 H new ATOM 86 N ASP A 9 -11.596 19.840 4.157 1.00 1.00 N ATOM 87 CA ASP A 9 -11.315 20.122 5.575 1.00 1.00 C ATOM 88 C ASP A 9 -11.530 18.855 6.443 1.00 1.00 C ATOM 89 O ASP A 9 -12.000 17.825 5.945 1.00 1.00 O ATOM 90 CB ASP A 9 -12.247 21.271 6.030 1.00 1.00 C ATOM 91 CG ASP A 9 -11.908 21.875 7.407 1.00 1.00 C ATOM 92 OD1 ASP A 9 -10.751 21.745 7.874 1.00 1.00 O ATOM 93 OD2 ASP A 9 -12.805 22.498 8.024 1.00 1.00 O ATOM 0 H ASP A 9 -12.191 19.021 4.035 1.00 1.00 H new ATOM 0 HA ASP A 9 -10.274 20.420 5.697 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -12.213 22.064 5.283 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -13.272 20.900 6.054 1.00 1.00 H new ATOM 98 N ALA A 10 -11.211 18.924 7.740 1.00 1.00 N ATOM 99 CA ALA A 10 -11.425 17.848 8.712 1.00 1.00 C ATOM 100 C ALA A 10 -12.920 17.461 8.833 1.00 1.00 C ATOM 101 O ALA A 10 -13.813 18.245 8.493 1.00 1.00 O ATOM 102 CB ALA A 10 -10.842 18.289 10.061 1.00 1.00 C ATOM 0 H ALA A 10 -10.785 19.753 8.153 1.00 1.00 H new ATOM 0 HA ALA A 10 -10.913 16.949 8.369 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -10.992 17.500 10.798 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -9.775 18.484 9.950 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -11.344 19.197 10.395 1.00 1.00 H new ATOM 108 N LEU A 11 -13.198 16.253 9.339 1.00 1.00 N ATOM 109 CA LEU A 11 -14.540 15.685 9.479 1.00 1.00 C ATOM 110 C LEU A 11 -14.638 14.794 10.736 1.00 1.00 C ATOM 111 O LEU A 11 -13.678 14.570 11.475 1.00 1.00 O ATOM 112 CB LEU A 11 -14.848 14.879 8.184 1.00 1.00 C ATOM 113 CG LEU A 11 -16.177 15.135 7.435 1.00 1.00 C ATOM 114 CD1 LEU A 11 -17.435 14.896 8.267 1.00 1.00 C ATOM 115 CD2 LEU A 11 -16.241 16.550 6.862 1.00 1.00 C ATOM 0 H LEU A 11 -12.468 15.624 9.673 1.00 1.00 H new ATOM 0 HA LEU A 11 -15.276 16.479 9.607 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -14.035 15.063 7.482 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -14.814 13.820 8.441 1.00 1.00 H new ATOM 0 HG LEU A 11 -16.169 14.395 6.634 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -18.317 15.100 7.660 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -17.458 13.859 8.603 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -17.430 15.558 9.133 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -17.190 16.690 6.344 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -16.160 17.275 7.672 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -15.419 16.696 6.161 1.00 1.00 H new ATOM 127 N ASP A 12 -15.837 14.261 10.914 1.00 1.00 N ATOM 128 CA ASP A 12 -16.306 13.320 11.939 1.00 1.00 C ATOM 129 C ASP A 12 -17.203 12.280 11.229 1.00 1.00 C ATOM 130 O ASP A 12 -18.357 12.054 11.594 1.00 1.00 O ATOM 131 CB ASP A 12 -17.014 14.108 13.055 1.00 1.00 C ATOM 132 CG ASP A 12 -17.466 13.225 14.233 1.00 1.00 C ATOM 133 OD1 ASP A 12 -16.684 12.352 14.677 1.00 1.00 O ATOM 134 OD2 ASP A 12 -18.585 13.447 14.759 1.00 1.00 O ATOM 0 H ASP A 12 -16.596 14.500 10.275 1.00 1.00 H new ATOM 0 HA ASP A 12 -15.494 12.779 12.425 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -16.342 14.881 13.427 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -17.883 14.616 12.636 1.00 1.00 H new ATOM 139 N LEU A 13 -16.674 11.743 10.119 1.00 1.00 N ATOM 140 CA LEU A 13 -17.331 10.847 9.159 1.00 1.00 C ATOM 141 C LEU A 13 -17.849 9.559 9.851 1.00 1.00 C ATOM 142 O LEU A 13 -19.058 9.501 10.102 1.00 1.00 O ATOM 143 CB LEU A 13 -16.380 10.742 7.947 1.00 1.00 C ATOM 144 CG LEU A 13 -16.914 10.029 6.699 1.00 1.00 C ATOM 145 CD1 LEU A 13 -18.112 10.769 6.102 1.00 1.00 C ATOM 146 CD2 LEU A 13 -15.794 10.012 5.657 1.00 1.00 C ATOM 0 H LEU A 13 -15.709 11.938 9.851 1.00 1.00 H new ATOM 0 HA LEU A 13 -18.272 11.219 8.753 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -16.086 11.751 7.660 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -15.476 10.226 8.270 1.00 1.00 H new ATOM 0 HG LEU A 13 -17.232 9.024 6.975 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -18.465 10.237 5.219 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -18.913 10.820 6.840 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -17.813 11.779 5.821 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -16.144 9.510 4.755 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -15.507 11.035 5.415 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -14.932 9.479 6.058 1.00 1.00 H new ATOM 158 N PRO A 14 -17.025 8.560 10.245 1.00 1.00 N ATOM 159 CA PRO A 14 -17.496 7.486 11.122 1.00 1.00 C ATOM 160 C PRO A 14 -17.747 8.135 12.502 1.00 1.00 C ATOM 161 O PRO A 14 -16.941 8.948 12.963 1.00 1.00 O ATOM 162 CB PRO A 14 -16.365 6.460 11.179 1.00 1.00 C ATOM 163 CG PRO A 14 -15.113 7.307 10.956 1.00 1.00 C ATOM 164 CD PRO A 14 -15.599 8.406 10.008 1.00 1.00 C ATOM 0 HA PRO A 14 -18.410 6.996 10.785 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -16.337 5.945 12.139 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -16.476 5.695 10.410 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -14.734 7.720 11.891 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -14.305 6.723 10.515 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -15.072 9.341 10.197 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -15.406 8.135 8.970 1.00 1.00 H new ATOM 172 N VAL A 15 -18.860 7.814 13.166 1.00 1.00 N ATOM 173 CA VAL A 15 -19.252 8.478 14.429 1.00 1.00 C ATOM 174 C VAL A 15 -18.960 7.622 15.665 1.00 1.00 C ATOM 175 O VAL A 15 -19.425 6.486 15.782 1.00 1.00 O ATOM 176 CB VAL A 15 -20.741 8.891 14.395 1.00 1.00 C ATOM 177 CG1 VAL A 15 -21.153 9.660 15.658 1.00 1.00 C ATOM 178 CG2 VAL A 15 -21.052 9.795 13.193 1.00 1.00 C ATOM 0 H VAL A 15 -19.514 7.096 12.855 1.00 1.00 H new ATOM 0 HA VAL A 15 -18.637 9.374 14.512 1.00 1.00 H new ATOM 0 HB VAL A 15 -21.300 7.958 14.324 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -22.207 9.931 15.592 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -20.994 9.032 16.535 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -20.551 10.564 15.746 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -22.108 10.064 13.204 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -20.447 10.699 13.252 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -20.822 9.264 12.269 1.00 1.00 H new ATOM 188 N GLY A 16 -18.211 8.197 16.609 1.00 1.00 N ATOM 189 CA GLY A 16 -17.838 7.567 17.880 1.00 1.00 C ATOM 190 C GLY A 16 -16.794 6.451 17.754 1.00 1.00 C ATOM 191 O GLY A 16 -16.370 6.073 16.656 1.00 1.00 O ATOM 0 H GLY A 16 -17.836 9.140 16.508 1.00 1.00 H new ATOM 0 HA2 GLY A 16 -17.452 8.334 18.552 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.735 7.158 18.345 1.00 1.00 H new ATOM 195 N LYS A 17 -16.368 5.913 18.905 1.00 1.00 N ATOM 196 CA LYS A 17 -15.364 4.835 18.977 1.00 1.00 C ATOM 197 C LYS A 17 -15.821 3.557 18.274 1.00 1.00 C ATOM 198 O LYS A 17 -15.020 2.894 17.625 1.00 1.00 O ATOM 199 CB LYS A 17 -14.997 4.508 20.434 1.00 1.00 C ATOM 200 CG LYS A 17 -14.526 5.733 21.229 1.00 1.00 C ATOM 201 CD LYS A 17 -13.720 5.294 22.458 1.00 1.00 C ATOM 202 CE LYS A 17 -13.273 6.499 23.294 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.389 6.073 24.408 1.00 1.00 N ATOM 0 H LYS A 17 -16.710 6.213 19.818 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.484 5.212 18.456 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -15.864 4.072 20.931 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -14.211 3.753 20.443 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -13.914 6.373 20.594 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -15.386 6.324 21.542 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -14.325 4.627 23.073 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.846 4.727 22.138 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -12.747 7.212 22.659 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.147 7.013 23.694 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -11.913 6.905 24.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -12.958 5.609 25.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -11.676 5.406 24.050 1.00 1.00 H new ATOM 217 N ASP A 18 -17.105 3.217 18.397 1.00 1.00 N ATOM 218 CA ASP A 18 -17.713 2.014 17.809 1.00 1.00 C ATOM 219 C ASP A 18 -17.564 1.944 16.280 1.00 1.00 C ATOM 220 O ASP A 18 -17.165 0.904 15.747 1.00 1.00 O ATOM 221 CB ASP A 18 -19.197 1.943 18.199 1.00 1.00 C ATOM 222 CG ASP A 18 -19.388 1.755 19.712 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.351 0.594 20.188 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.577 2.768 20.428 1.00 1.00 O ATOM 0 H ASP A 18 -17.772 3.783 18.922 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.175 1.156 18.211 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.699 2.857 17.881 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.672 1.118 17.669 1.00 1.00 H new ATOM 229 N ALA A 19 -17.838 3.044 15.566 1.00 1.00 N ATOM 230 CA ALA A 19 -17.693 3.094 14.110 1.00 1.00 C ATOM 231 C ALA A 19 -16.222 2.977 13.685 1.00 1.00 C ATOM 232 O ALA A 19 -15.911 2.227 12.760 1.00 1.00 O ATOM 233 CB ALA A 19 -18.318 4.387 13.579 1.00 1.00 C ATOM 0 H ALA A 19 -18.164 3.917 15.980 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.217 2.241 13.679 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.210 4.425 12.495 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.376 4.413 13.840 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.813 5.245 14.024 1.00 1.00 H new ATOM 239 N VAL A 20 -15.307 3.670 14.378 1.00 1.00 N ATOM 240 CA VAL A 20 -13.861 3.593 14.103 1.00 1.00 C ATOM 241 C VAL A 20 -13.331 2.178 14.378 1.00 1.00 C ATOM 242 O VAL A 20 -12.600 1.630 13.558 1.00 1.00 O ATOM 243 CB VAL A 20 -13.084 4.660 14.898 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.569 4.484 14.744 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.447 6.067 14.401 1.00 1.00 C ATOM 0 H VAL A 20 -15.546 4.299 15.144 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.703 3.805 13.046 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.360 4.539 15.945 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -11.053 5.254 15.318 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.278 3.500 15.112 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.297 4.573 13.692 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.890 6.810 14.972 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.193 6.157 13.345 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.516 6.235 14.533 1.00 1.00 H new ATOM 255 N ASN A 21 -13.735 1.547 15.484 1.00 1.00 N ATOM 256 CA ASN A 21 -13.363 0.173 15.818 1.00 1.00 C ATOM 257 C ASN A 21 -13.839 -0.810 14.731 1.00 1.00 C ATOM 258 O ASN A 21 -13.070 -1.667 14.297 1.00 1.00 O ATOM 259 CB ASN A 21 -13.949 -0.148 17.202 1.00 1.00 C ATOM 260 CG ASN A 21 -13.763 -1.605 17.584 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.684 -2.051 17.945 1.00 1.00 O ATOM 262 ND2 ASN A 21 -14.814 -2.389 17.502 1.00 1.00 N ATOM 0 H ASN A 21 -14.338 1.984 16.181 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.279 0.066 15.856 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.473 0.485 17.951 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.012 0.094 17.209 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -14.733 -3.377 17.740 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.711 -2.009 17.200 1.00 1.00 H new ATOM 269 N SER A 22 -15.079 -0.657 14.253 1.00 1.00 N ATOM 270 CA SER A 22 -15.636 -1.483 13.168 1.00 1.00 C ATOM 271 C SER A 22 -14.873 -1.263 11.854 1.00 1.00 C ATOM 272 O SER A 22 -14.507 -2.225 11.184 1.00 1.00 O ATOM 273 CB SER A 22 -17.125 -1.177 12.959 1.00 1.00 C ATOM 274 OG SER A 22 -17.865 -1.413 14.147 1.00 1.00 O ATOM 0 H SER A 22 -15.729 0.045 14.607 1.00 1.00 H new ATOM 0 HA SER A 22 -15.526 -2.527 13.463 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.247 -0.139 12.651 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.518 -1.797 12.153 1.00 1.00 H new ATOM 0 HG SER A 22 -17.719 -0.675 14.775 1.00 1.00 H new ATOM 280 N LEU A 23 -14.571 -0.006 11.511 1.00 1.00 N ATOM 281 CA LEU A 23 -13.790 0.388 10.332 1.00 1.00 C ATOM 282 C LEU A 23 -12.385 -0.233 10.355 1.00 1.00 C ATOM 283 O LEU A 23 -11.937 -0.749 9.329 1.00 1.00 O ATOM 284 CB LEU A 23 -13.824 1.930 10.273 1.00 1.00 C ATOM 285 CG LEU A 23 -13.030 2.623 9.150 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.652 3.994 8.862 1.00 1.00 C ATOM 287 CD2 LEU A 23 -11.573 2.876 9.544 1.00 1.00 C ATOM 0 H LEU A 23 -14.874 0.794 12.066 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.218 0.001 9.407 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.866 2.239 10.187 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.457 2.310 11.226 1.00 1.00 H new ATOM 0 HG LEU A 23 -13.063 1.962 8.284 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.093 4.488 8.067 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -14.688 3.865 8.550 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -13.618 4.606 9.764 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.053 3.366 8.721 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -11.540 3.516 10.426 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.086 1.926 9.766 1.00 1.00 H new ATOM 299 N ILE A 24 -11.715 -0.242 11.513 1.00 1.00 N ATOM 300 CA ILE A 24 -10.408 -0.891 11.697 1.00 1.00 C ATOM 301 C ILE A 24 -10.557 -2.414 11.535 1.00 1.00 C ATOM 302 O ILE A 24 -9.806 -3.024 10.776 1.00 1.00 O ATOM 303 CB ILE A 24 -9.804 -0.524 13.077 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.409 0.970 13.139 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.567 -1.388 13.392 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.198 1.470 14.577 1.00 1.00 C ATOM 0 H ILE A 24 -12.067 0.206 12.359 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.719 -0.530 10.934 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.575 -0.719 13.822 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.493 1.123 12.568 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.186 1.567 12.662 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.166 -1.107 14.366 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.852 -2.440 13.406 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.807 -1.228 12.627 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.923 2.524 14.559 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.120 1.346 15.144 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.401 0.895 15.049 1.00 1.00 H new ATOM 318 N ARG A 25 -11.531 -3.033 12.221 1.00 1.00 N ATOM 319 CA ARG A 25 -11.806 -4.483 12.193 1.00 1.00 C ATOM 320 C ARG A 25 -12.096 -5.020 10.786 1.00 1.00 C ATOM 321 O ARG A 25 -11.534 -6.039 10.389 1.00 1.00 O ATOM 322 CB ARG A 25 -12.956 -4.776 13.176 1.00 1.00 C ATOM 323 CG ARG A 25 -13.297 -6.260 13.297 1.00 1.00 C ATOM 324 CD ARG A 25 -14.362 -6.496 14.374 1.00 1.00 C ATOM 325 NE ARG A 25 -14.694 -7.929 14.495 1.00 1.00 N ATOM 326 CZ ARG A 25 -15.582 -8.470 15.311 1.00 1.00 C ATOM 327 NH1 ARG A 25 -16.298 -7.752 16.132 1.00 1.00 N ATOM 328 NH2 ARG A 25 -15.771 -9.758 15.319 1.00 1.00 N ATOM 0 H ARG A 25 -12.171 -2.524 12.831 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.907 -5.014 12.506 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.687 -4.393 14.160 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.845 -4.233 12.854 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.656 -6.633 12.338 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -12.397 -6.824 13.541 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -14.002 -6.122 15.332 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -15.262 -5.932 14.129 1.00 1.00 H new ATOM 0 HE ARG A 25 -14.185 -8.569 13.885 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -16.182 -6.739 16.158 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -16.974 -8.204 16.748 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -15.232 -10.356 14.693 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -16.458 -10.169 15.951 1.00 1.00 H new ATOM 342 N GLU A 26 -12.950 -4.338 10.024 1.00 1.00 N ATOM 343 CA GLU A 26 -13.323 -4.713 8.650 1.00 1.00 C ATOM 344 C GLU A 26 -12.181 -4.531 7.626 1.00 1.00 C ATOM 345 O GLU A 26 -12.255 -5.073 6.521 1.00 1.00 O ATOM 346 CB GLU A 26 -14.559 -3.909 8.208 1.00 1.00 C ATOM 347 CG GLU A 26 -15.837 -4.376 8.919 1.00 1.00 C ATOM 348 CD GLU A 26 -17.066 -3.583 8.431 1.00 1.00 C ATOM 349 OE1 GLU A 26 -17.653 -3.955 7.385 1.00 1.00 O ATOM 350 OE2 GLU A 26 -17.466 -2.594 9.092 1.00 1.00 O ATOM 0 H GLU A 26 -13.415 -3.490 10.347 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.549 -5.779 8.670 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.396 -2.851 8.415 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.688 -4.007 7.130 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.991 -5.439 8.736 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.724 -4.251 9.996 1.00 1.00 H new ATOM 357 N ASN A 27 -11.127 -3.787 7.981 1.00 1.00 N ATOM 358 CA ASN A 27 -9.969 -3.489 7.127 1.00 1.00 C ATOM 359 C ASN A 27 -8.625 -3.748 7.846 1.00 1.00 C ATOM 360 O ASN A 27 -7.651 -3.010 7.665 1.00 1.00 O ATOM 361 CB ASN A 27 -10.097 -2.038 6.639 1.00 1.00 C ATOM 362 CG ASN A 27 -11.369 -1.753 5.864 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.492 -2.063 4.687 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.349 -1.149 6.497 1.00 1.00 N ATOM 0 H ASN A 27 -11.053 -3.360 8.904 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.967 -4.164 6.271 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -10.053 -1.372 7.500 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.240 -1.802 6.008 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.218 -0.936 6.007 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.241 -0.893 7.478 1.00 1.00 H new ATOM 371 N SER A 28 -8.567 -4.787 8.687 1.00 1.00 N ATOM 372 CA SER A 28 -7.395 -5.166 9.501 1.00 1.00 C ATOM 373 C SER A 28 -6.081 -5.366 8.724 1.00 1.00 C ATOM 374 O SER A 28 -4.995 -5.308 9.306 1.00 1.00 O ATOM 375 CB SER A 28 -7.718 -6.418 10.323 1.00 1.00 C ATOM 376 OG SER A 28 -8.026 -7.513 9.471 1.00 1.00 O ATOM 0 H SER A 28 -9.360 -5.412 8.828 1.00 1.00 H new ATOM 0 HA SER A 28 -7.207 -4.308 10.147 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.868 -6.672 10.957 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.561 -6.217 10.985 1.00 1.00 H new ATOM 0 HG SER A 28 -8.228 -8.303 10.014 1.00 1.00 H new ATOM 382 N HIS A 29 -6.154 -5.573 7.405 1.00 1.00 N ATOM 383 CA HIS A 29 -5.011 -5.715 6.497 1.00 1.00 C ATOM 384 C HIS A 29 -4.307 -4.383 6.177 1.00 1.00 C ATOM 385 O HIS A 29 -3.148 -4.403 5.752 1.00 1.00 O ATOM 386 CB HIS A 29 -5.490 -6.403 5.206 1.00 1.00 C ATOM 387 CG HIS A 29 -6.542 -5.643 4.425 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.806 -5.269 4.897 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.429 -5.250 3.123 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.418 -4.651 3.870 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.611 -4.624 2.795 1.00 1.00 N ATOM 0 H HIS A 29 -7.048 -5.649 6.921 1.00 1.00 H new ATOM 0 HA HIS A 29 -4.262 -6.324 7.003 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.628 -6.568 4.559 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.889 -7.385 5.462 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.578 -5.401 2.476 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.415 -4.236 3.904 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.836 -4.210 1.890 1.00 1.00 H new ATOM 399 N ILE A 30 -4.972 -3.238 6.390 1.00 1.00 N ATOM 400 CA ILE A 30 -4.454 -1.882 6.102 1.00 1.00 C ATOM 401 C ILE A 30 -4.602 -0.872 7.252 1.00 1.00 C ATOM 402 O ILE A 30 -3.871 0.122 7.271 1.00 1.00 O ATOM 403 CB ILE A 30 -5.075 -1.311 4.804 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.621 -1.365 4.819 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.477 -2.022 3.578 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.296 -0.693 3.616 1.00 1.00 C ATOM 0 H ILE A 30 -5.915 -3.224 6.779 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.381 -2.021 5.970 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.819 -0.253 4.742 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.935 -2.408 4.859 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.979 -0.890 5.732 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.919 -1.614 2.669 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.398 -1.867 3.558 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.689 -3.090 3.637 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.378 -0.779 3.711 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.017 0.360 3.584 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.972 -1.182 2.697 1.00 1.00 H new ATOM 418 N PHE A 31 -5.484 -1.115 8.223 1.00 1.00 N ATOM 419 CA PHE A 31 -5.700 -0.262 9.399 1.00 1.00 C ATOM 420 C PHE A 31 -5.513 -1.083 10.684 1.00 1.00 C ATOM 421 O PHE A 31 -5.796 -2.283 10.713 1.00 1.00 O ATOM 422 CB PHE A 31 -7.132 0.310 9.404 1.00 1.00 C ATOM 423 CG PHE A 31 -7.670 0.981 8.149 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.841 1.618 7.205 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.058 0.942 7.926 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.387 2.091 5.997 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.608 1.429 6.730 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.766 1.970 5.750 1.00 1.00 C ATOM 0 H PHE A 31 -6.088 -1.937 8.215 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.977 0.553 9.356 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.810 -0.506 9.656 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.192 1.036 10.215 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.788 1.743 7.408 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.709 0.532 8.684 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.745 2.548 5.258 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.675 1.387 6.566 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.176 2.294 4.805 1.00 1.00 H new ATOM 438 N SER A 32 -5.073 -0.439 11.764 1.00 1.00 N ATOM 439 CA SER A 32 -4.899 -1.065 13.079 1.00 1.00 C ATOM 440 C SER A 32 -5.131 -0.072 14.221 1.00 1.00 C ATOM 441 O SER A 32 -5.288 1.136 14.013 1.00 1.00 O ATOM 442 CB SER A 32 -3.513 -1.723 13.196 1.00 1.00 C ATOM 443 OG SER A 32 -2.516 -0.800 13.604 1.00 1.00 O ATOM 0 H SER A 32 -4.822 0.550 11.752 1.00 1.00 H new ATOM 0 HA SER A 32 -5.657 -1.843 13.169 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.561 -2.544 13.912 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.235 -2.155 12.235 1.00 1.00 H new ATOM 0 HG SER A 32 -1.652 -1.258 13.667 1.00 1.00 H new ATOM 449 N ASP A 33 -5.125 -0.590 15.450 1.00 1.00 N ATOM 450 CA ASP A 33 -5.271 0.181 16.687 1.00 1.00 C ATOM 451 C ASP A 33 -4.141 1.214 16.907 1.00 1.00 C ATOM 452 O ASP A 33 -4.300 2.131 17.716 1.00 1.00 O ATOM 453 CB ASP A 33 -5.315 -0.827 17.847 1.00 1.00 C ATOM 454 CG ASP A 33 -5.667 -0.178 19.193 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.783 0.379 19.305 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.860 -0.272 20.149 1.00 1.00 O ATOM 0 H ASP A 33 -5.015 -1.590 15.618 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.187 0.769 16.627 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -6.048 -1.601 17.621 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.346 -1.320 17.930 1.00 1.00 H new ATOM 461 N THR A 34 -3.006 1.077 16.203 1.00 1.00 N ATOM 462 CA THR A 34 -1.815 1.938 16.354 1.00 1.00 C ATOM 463 C THR A 34 -1.154 2.401 15.046 1.00 1.00 C ATOM 464 O THR A 34 -0.160 3.126 15.113 1.00 1.00 O ATOM 465 CB THR A 34 -0.749 1.256 17.235 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.387 0.000 16.692 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.222 1.027 18.671 1.00 1.00 C ATOM 0 H THR A 34 -2.885 0.350 15.497 1.00 1.00 H new ATOM 0 HA THR A 34 -2.207 2.838 16.829 1.00 1.00 H new ATOM 0 HB THR A 34 0.103 1.936 17.253 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.291 -0.419 17.261 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.429 0.544 19.243 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.469 1.984 19.130 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.106 0.389 18.666 1.00 1.00 H new ATOM 475 N GLN A 35 -1.652 2.037 13.857 1.00 1.00 N ATOM 476 CA GLN A 35 -1.058 2.460 12.576 1.00 1.00 C ATOM 477 C GLN A 35 -2.033 2.370 11.386 1.00 1.00 C ATOM 478 O GLN A 35 -2.849 1.452 11.299 1.00 1.00 O ATOM 479 CB GLN A 35 0.172 1.562 12.305 1.00 1.00 C ATOM 480 CG GLN A 35 1.058 2.026 11.136 1.00 1.00 C ATOM 481 CD GLN A 35 2.291 1.140 10.941 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.249 -0.081 11.031 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.443 1.714 10.658 1.00 1.00 N ATOM 0 H GLN A 35 -2.475 1.443 13.753 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.785 3.511 12.665 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.779 1.518 13.209 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.172 0.548 12.103 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.469 2.029 10.219 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.378 3.053 11.313 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.501 2.729 10.578 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.277 1.143 10.519 1.00 1.00 H new ATOM 492 N CYS A 36 -1.896 3.292 10.427 1.00 1.00 N ATOM 493 CA CYS A 36 -2.634 3.303 9.159 1.00 1.00 C ATOM 494 C CYS A 36 -1.650 3.168 7.981 1.00 1.00 C ATOM 495 O CYS A 36 -0.830 4.062 7.762 1.00 1.00 O ATOM 496 CB CYS A 36 -3.454 4.593 9.036 1.00 1.00 C ATOM 497 SG CYS A 36 -4.340 4.713 7.463 1.00 1.00 S ATOM 0 H CYS A 36 -1.249 4.075 10.514 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.322 2.458 9.137 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.170 4.642 9.856 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.790 5.451 9.140 1.00 1.00 H new ATOM 502 N LYS A 37 -1.720 2.072 7.209 1.00 1.00 N ATOM 503 CA LYS A 37 -0.833 1.832 6.049 1.00 1.00 C ATOM 504 C LYS A 37 -1.171 2.705 4.838 1.00 1.00 C ATOM 505 O LYS A 37 -0.260 3.186 4.168 1.00 1.00 O ATOM 506 CB LYS A 37 -0.887 0.357 5.622 1.00 1.00 C ATOM 507 CG LYS A 37 -0.484 -0.620 6.736 1.00 1.00 C ATOM 508 CD LYS A 37 -0.364 -2.026 6.142 1.00 1.00 C ATOM 509 CE LYS A 37 -0.260 -3.091 7.238 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.404 -4.457 6.671 1.00 1.00 N ATOM 0 H LYS A 37 -2.393 1.323 7.368 1.00 1.00 H new ATOM 0 HA LYS A 37 0.170 2.099 6.383 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.898 0.120 5.290 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.228 0.211 4.766 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.464 -0.316 7.180 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.227 -0.610 7.534 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -1.231 -2.232 5.514 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.515 -2.077 5.499 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.701 -3.003 7.745 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -1.032 -2.922 7.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -0.229 -5.162 7.415 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.367 -4.579 6.299 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.283 -4.588 5.902 1.00 1.00 H new ATOM 524 N VAL A 38 -2.461 2.947 4.575 1.00 1.00 N ATOM 525 CA VAL A 38 -2.945 3.796 3.460 1.00 1.00 C ATOM 526 C VAL A 38 -2.363 5.211 3.531 1.00 1.00 C ATOM 527 O VAL A 38 -1.962 5.781 2.516 1.00 1.00 O ATOM 528 CB VAL A 38 -4.486 3.842 3.454 1.00 1.00 C ATOM 529 CG1 VAL A 38 -5.067 4.949 2.571 1.00 1.00 C ATOM 530 CG2 VAL A 38 -5.037 2.503 2.958 1.00 1.00 C ATOM 0 H VAL A 38 -3.217 2.555 5.136 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.601 3.349 2.527 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.784 4.050 4.482 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.156 4.918 2.618 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.716 5.918 2.925 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.744 4.800 1.541 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.126 2.537 2.954 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.676 2.313 1.947 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.701 1.704 3.619 1.00 1.00 H new ATOM 540 N CYS A 39 -2.289 5.764 4.741 1.00 1.00 N ATOM 541 CA CYS A 39 -1.736 7.083 5.024 1.00 1.00 C ATOM 542 C CYS A 39 -0.292 7.001 5.573 1.00 1.00 C ATOM 543 O CYS A 39 0.260 8.020 5.991 1.00 1.00 O ATOM 544 CB CYS A 39 -2.702 7.763 5.996 1.00 1.00 C ATOM 545 SG CYS A 39 -4.404 7.882 5.368 1.00 1.00 S ATOM 0 H CYS A 39 -2.625 5.288 5.578 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.647 7.672 4.111 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.708 7.210 6.935 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.335 8.765 6.218 1.00 1.00 H new ATOM 550 N SER A 40 0.291 5.790 5.569 1.00 1.00 N ATOM 551 CA SER A 40 1.628 5.395 6.049 1.00 1.00 C ATOM 552 C SER A 40 2.112 6.178 7.281 1.00 1.00 C ATOM 553 O SER A 40 3.203 6.758 7.306 1.00 1.00 O ATOM 554 CB SER A 40 2.638 5.353 4.888 1.00 1.00 C ATOM 555 OG SER A 40 2.704 6.580 4.171 1.00 1.00 O ATOM 0 H SER A 40 -0.210 4.985 5.193 1.00 1.00 H new ATOM 0 HA SER A 40 1.541 4.377 6.428 1.00 1.00 H new ATOM 0 HB2 SER A 40 3.626 5.113 5.280 1.00 1.00 H new ATOM 0 HB3 SER A 40 2.364 4.551 4.203 1.00 1.00 H new ATOM 0 HG SER A 40 3.360 6.501 3.447 1.00 1.00 H new ATOM 561 N ALA A 41 1.265 6.197 8.313 1.00 1.00 N ATOM 562 CA ALA A 41 1.484 6.932 9.562 1.00 1.00 C ATOM 563 C ALA A 41 1.106 6.131 10.820 1.00 1.00 C ATOM 564 O ALA A 41 0.188 5.306 10.813 1.00 1.00 O ATOM 565 CB ALA A 41 0.685 8.242 9.489 1.00 1.00 C ATOM 0 H ALA A 41 0.382 5.687 8.303 1.00 1.00 H new ATOM 0 HA ALA A 41 2.552 7.130 9.658 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.831 8.809 10.408 1.00 1.00 H new ATOM 0 HB2 ALA A 41 1.030 8.832 8.640 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.374 8.016 9.367 1.00 1.00 H new ATOM 571 N VAL A 42 1.813 6.414 11.917 1.00 1.00 N ATOM 572 CA VAL A 42 1.604 5.807 13.242 1.00 1.00 C ATOM 573 C VAL A 42 0.555 6.613 14.020 1.00 1.00 C ATOM 574 O VAL A 42 0.433 7.830 13.870 1.00 1.00 O ATOM 575 CB VAL A 42 2.943 5.724 14.011 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.813 5.092 15.404 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.963 4.874 13.236 1.00 1.00 C ATOM 0 H VAL A 42 2.573 7.094 11.911 1.00 1.00 H new ATOM 0 HA VAL A 42 1.231 4.790 13.122 1.00 1.00 H new ATOM 0 HB VAL A 42 3.269 6.759 14.118 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.791 5.067 15.885 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.126 5.684 16.009 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.429 4.076 15.308 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.898 4.829 13.795 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.570 3.866 13.103 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.145 5.324 12.260 1.00 1.00 H new ATOM 587 N LEU A 43 -0.206 5.916 14.862 1.00 1.00 N ATOM 588 CA LEU A 43 -1.312 6.409 15.684 1.00 1.00 C ATOM 589 C LEU A 43 -0.988 6.087 17.155 1.00 1.00 C ATOM 590 O LEU A 43 -1.492 5.127 17.736 1.00 1.00 O ATOM 591 CB LEU A 43 -2.627 5.780 15.165 1.00 1.00 C ATOM 592 CG LEU A 43 -2.910 6.018 13.666 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.100 5.181 13.205 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.196 7.489 13.365 1.00 1.00 C ATOM 0 H LEU A 43 -0.055 4.917 14.998 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.444 7.489 15.618 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.597 4.706 15.349 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.459 6.180 15.745 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.012 5.720 13.125 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.284 5.362 12.146 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.883 4.124 13.360 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.984 5.458 13.779 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.390 7.611 12.299 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.069 7.813 13.932 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.334 8.093 13.649 1.00 1.00 H new ATOM 606 N ILE A 44 -0.059 6.868 17.719 1.00 1.00 N ATOM 607 CA ILE A 44 0.538 6.709 19.065 1.00 1.00 C ATOM 608 C ILE A 44 -0.434 6.564 20.255 1.00 1.00 C ATOM 609 O ILE A 44 -0.030 6.058 21.304 1.00 1.00 O ATOM 610 CB ILE A 44 1.564 7.836 19.338 1.00 1.00 C ATOM 611 CG1 ILE A 44 0.901 9.233 19.367 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.716 7.764 18.317 1.00 1.00 C ATOM 613 CD1 ILE A 44 1.851 10.367 19.767 1.00 1.00 C ATOM 0 H ILE A 44 0.323 7.676 17.227 1.00 1.00 H new ATOM 0 HA ILE A 44 1.025 5.735 19.014 1.00 1.00 H new ATOM 0 HB ILE A 44 1.981 7.680 20.333 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.489 9.449 18.381 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.064 9.212 20.064 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.431 8.561 18.519 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.216 6.799 18.400 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.317 7.881 17.309 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.310 11.313 19.763 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.244 10.177 20.766 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.676 10.418 19.057 1.00 1.00 H new ATOM 625 N SER A 45 -1.698 6.969 20.112 1.00 1.00 N ATOM 626 CA SER A 45 -2.743 6.840 21.140 1.00 1.00 C ATOM 627 C SER A 45 -4.135 6.786 20.505 1.00 1.00 C ATOM 628 O SER A 45 -4.319 7.158 19.342 1.00 1.00 O ATOM 629 CB SER A 45 -2.672 8.011 22.129 1.00 1.00 C ATOM 630 OG SER A 45 -3.382 7.688 23.316 1.00 1.00 O ATOM 0 H SER A 45 -2.036 7.408 19.256 1.00 1.00 H new ATOM 0 HA SER A 45 -2.568 5.907 21.676 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.632 8.234 22.367 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.095 8.907 21.675 1.00 1.00 H new ATOM 0 HG SER A 45 -3.331 8.440 23.943 1.00 1.00 H new ATOM 636 N GLU A 46 -5.136 6.349 21.271 1.00 1.00 N ATOM 637 CA GLU A 46 -6.527 6.254 20.819 1.00 1.00 C ATOM 638 C GLU A 46 -7.086 7.598 20.330 1.00 1.00 C ATOM 639 O GLU A 46 -7.783 7.620 19.322 1.00 1.00 O ATOM 640 CB GLU A 46 -7.390 5.635 21.927 1.00 1.00 C ATOM 641 CG GLU A 46 -8.846 5.458 21.479 1.00 1.00 C ATOM 642 CD GLU A 46 -9.557 4.381 22.307 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.475 3.193 21.915 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.207 4.723 23.325 1.00 1.00 O ATOM 0 H GLU A 46 -5.003 6.047 22.236 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.555 5.598 19.949 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.977 4.668 22.213 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.356 6.270 22.812 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.377 6.405 21.578 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.873 5.186 20.424 1.00 1.00 H new ATOM 651 N SER A 47 -6.753 8.726 20.964 1.00 1.00 N ATOM 652 CA SER A 47 -7.205 10.047 20.494 1.00 1.00 C ATOM 653 C SER A 47 -6.689 10.373 19.085 1.00 1.00 C ATOM 654 O SER A 47 -7.452 10.876 18.257 1.00 1.00 O ATOM 655 CB SER A 47 -6.824 11.142 21.492 1.00 1.00 C ATOM 656 OG SER A 47 -5.440 11.098 21.801 1.00 1.00 O ATOM 0 H SER A 47 -6.173 8.755 21.803 1.00 1.00 H new ATOM 0 HA SER A 47 -8.292 10.009 20.428 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.076 12.118 21.078 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.407 11.024 22.405 1.00 1.00 H new ATOM 0 HG SER A 47 -5.225 11.810 22.439 1.00 1.00 H new ATOM 662 N GLN A 48 -5.434 10.021 18.769 1.00 1.00 N ATOM 663 CA GLN A 48 -4.880 10.172 17.418 1.00 1.00 C ATOM 664 C GLN A 48 -5.572 9.205 16.447 1.00 1.00 C ATOM 665 O GLN A 48 -5.943 9.617 15.348 1.00 1.00 O ATOM 666 CB GLN A 48 -3.355 9.944 17.391 1.00 1.00 C ATOM 667 CG GLN A 48 -2.543 11.171 17.833 1.00 1.00 C ATOM 668 CD GLN A 48 -2.673 11.477 19.323 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.256 10.706 20.175 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.237 12.605 19.698 1.00 1.00 N ATOM 0 H GLN A 48 -4.777 9.625 19.441 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.067 11.199 17.103 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.110 9.103 18.040 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.055 9.665 16.381 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.492 11.008 17.593 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -2.870 12.039 17.261 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.589 13.257 18.997 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.322 12.828 20.690 1.00 1.00 H new ATOM 679 N LYS A 49 -5.785 7.939 16.843 1.00 1.00 N ATOM 680 CA LYS A 49 -6.471 6.936 16.005 1.00 1.00 C ATOM 681 C LYS A 49 -7.891 7.387 15.646 1.00 1.00 C ATOM 682 O LYS A 49 -8.268 7.375 14.477 1.00 1.00 O ATOM 683 CB LYS A 49 -6.391 5.532 16.671 1.00 1.00 C ATOM 684 CG LYS A 49 -7.724 4.897 17.116 1.00 1.00 C ATOM 685 CD LYS A 49 -7.563 3.582 17.891 1.00 1.00 C ATOM 686 CE LYS A 49 -8.961 3.110 18.319 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.924 2.093 19.399 1.00 1.00 N ATOM 0 H LYS A 49 -5.488 7.581 17.751 1.00 1.00 H new ATOM 0 HA LYS A 49 -5.956 6.846 15.049 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.907 4.851 15.971 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.742 5.606 17.544 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.264 5.610 17.739 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.339 4.714 16.235 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.081 2.829 17.268 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.927 3.729 18.764 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.541 3.969 18.656 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.479 2.695 17.454 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.708 1.422 19.271 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.020 1.581 19.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.019 2.563 20.322 1.00 1.00 H new ATOM 701 N LEU A 50 -8.652 7.846 16.641 1.00 1.00 N ATOM 702 CA LEU A 50 -10.020 8.335 16.476 1.00 1.00 C ATOM 703 C LEU A 50 -10.050 9.530 15.522 1.00 1.00 C ATOM 704 O LEU A 50 -10.754 9.471 14.517 1.00 1.00 O ATOM 705 CB LEU A 50 -10.630 8.673 17.853 1.00 1.00 C ATOM 706 CG LEU A 50 -10.966 7.445 18.723 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.460 7.896 20.095 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.054 6.551 18.131 1.00 1.00 C ATOM 0 H LEU A 50 -8.326 7.889 17.606 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.632 7.552 16.028 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.933 9.309 18.399 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.539 9.254 17.701 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.041 6.872 18.783 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.695 7.022 20.703 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.683 8.482 20.587 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.355 8.507 19.977 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.236 5.709 18.798 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -12.973 7.126 18.013 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.731 6.180 17.158 1.00 1.00 H new ATOM 720 N ALA A 51 -9.258 10.572 15.782 1.00 1.00 N ATOM 721 CA ALA A 51 -9.195 11.755 14.923 1.00 1.00 C ATOM 722 C ALA A 51 -8.753 11.441 13.480 1.00 1.00 C ATOM 723 O ALA A 51 -9.305 12.006 12.533 1.00 1.00 O ATOM 724 CB ALA A 51 -8.266 12.783 15.580 1.00 1.00 C ATOM 0 H ALA A 51 -8.642 10.619 16.594 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.202 12.160 14.829 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.207 13.673 14.953 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.659 13.055 16.560 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.271 12.353 15.695 1.00 1.00 H new ATOM 730 N HIS A 52 -7.787 10.534 13.294 1.00 1.00 N ATOM 731 CA HIS A 52 -7.297 10.157 11.968 1.00 1.00 C ATOM 732 C HIS A 52 -8.367 9.433 11.139 1.00 1.00 C ATOM 733 O HIS A 52 -8.654 9.847 10.014 1.00 1.00 O ATOM 734 CB HIS A 52 -6.041 9.287 12.130 1.00 1.00 C ATOM 735 CG HIS A 52 -5.404 8.927 10.815 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.410 9.635 10.177 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.760 7.892 9.990 1.00 1.00 C ATOM 738 CE1 HIS A 52 -4.192 9.062 8.983 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.998 7.998 8.823 1.00 1.00 N ATOM 0 H HIS A 52 -7.325 10.043 14.059 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.047 11.065 11.419 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.315 9.817 12.746 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.304 8.373 12.663 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.924 10.452 10.547 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.497 7.132 10.203 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -3.472 9.406 8.255 1.00 1.00 H new ATOM 747 N TYR A 53 -8.995 8.391 11.693 1.00 1.00 N ATOM 748 CA TYR A 53 -10.043 7.643 10.990 1.00 1.00 C ATOM 749 C TYR A 53 -11.343 8.456 10.827 1.00 1.00 C ATOM 750 O TYR A 53 -12.088 8.232 9.873 1.00 1.00 O ATOM 751 CB TYR A 53 -10.274 6.292 11.686 1.00 1.00 C ATOM 752 CG TYR A 53 -9.078 5.343 11.652 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.503 4.966 10.422 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.540 4.825 12.847 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.390 4.099 10.387 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.424 3.964 12.820 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.847 3.597 11.588 1.00 1.00 C ATOM 758 OH TYR A 53 -5.780 2.753 11.561 1.00 1.00 O ATOM 0 H TYR A 53 -8.794 8.045 12.631 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.700 7.448 9.974 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.545 6.476 12.726 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.125 5.798 11.217 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.917 5.344 9.499 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.987 5.090 13.794 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.954 3.820 9.439 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -7.011 3.586 13.744 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.726 2.266 12.410 1.00 1.00 H new ATOM 768 N GLN A 54 -11.615 9.421 11.718 1.00 1.00 N ATOM 769 CA GLN A 54 -12.785 10.308 11.644 1.00 1.00 C ATOM 770 C GLN A 54 -12.735 11.312 10.474 1.00 1.00 C ATOM 771 O GLN A 54 -13.790 11.729 9.991 1.00 1.00 O ATOM 772 CB GLN A 54 -12.978 11.048 12.979 1.00 1.00 C ATOM 773 CG GLN A 54 -13.747 10.180 13.996 1.00 1.00 C ATOM 774 CD GLN A 54 -13.636 10.662 15.444 1.00 1.00 C ATOM 775 OE1 GLN A 54 -13.097 11.713 15.770 1.00 1.00 O ATOM 776 NE2 GLN A 54 -14.132 9.885 16.387 1.00 1.00 N ATOM 0 H GLN A 54 -11.018 9.610 12.523 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.642 9.663 11.449 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.006 11.319 13.391 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.521 11.977 12.807 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.799 10.155 13.713 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.377 9.157 13.936 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -14.585 9.006 16.138 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -14.063 10.163 17.366 1.00 1.00 H new ATOM 785 N SER A 55 -11.548 11.718 10.008 1.00 1.00 N ATOM 786 CA SER A 55 -11.419 12.709 8.926 1.00 1.00 C ATOM 787 C SER A 55 -11.726 12.184 7.515 1.00 1.00 C ATOM 788 O SER A 55 -11.414 11.046 7.156 1.00 1.00 O ATOM 789 CB SER A 55 -10.013 13.315 8.951 1.00 1.00 C ATOM 790 OG SER A 55 -9.936 14.372 8.008 1.00 1.00 O ATOM 0 H SER A 55 -10.656 11.375 10.364 1.00 1.00 H new ATOM 0 HA SER A 55 -12.184 13.459 9.129 1.00 1.00 H new ATOM 0 HB2 SER A 55 -9.784 13.687 9.950 1.00 1.00 H new ATOM 0 HB3 SER A 55 -9.272 12.551 8.718 1.00 1.00 H new ATOM 0 HG SER A 55 -9.037 14.761 8.025 1.00 1.00 H new ATOM 796 N ARG A 56 -12.273 13.074 6.670 1.00 1.00 N ATOM 797 CA ARG A 56 -12.558 12.845 5.239 1.00 1.00 C ATOM 798 C ARG A 56 -11.275 12.625 4.431 1.00 1.00 C ATOM 799 O ARG A 56 -11.310 11.918 3.420 1.00 1.00 O ATOM 800 CB ARG A 56 -13.416 14.015 4.709 1.00 1.00 C ATOM 801 CG ARG A 56 -14.079 13.766 3.346 1.00 1.00 C ATOM 802 CD ARG A 56 -13.216 14.188 2.148 1.00 1.00 C ATOM 803 NE ARG A 56 -13.793 13.710 0.877 1.00 1.00 N ATOM 804 CZ ARG A 56 -13.769 12.474 0.411 1.00 1.00 C ATOM 805 NH1 ARG A 56 -13.141 11.511 1.028 1.00 1.00 N ATOM 806 NH2 ARG A 56 -14.390 12.175 -0.693 1.00 1.00 N ATOM 0 H ARG A 56 -12.540 14.010 6.975 1.00 1.00 H new ATOM 0 HA ARG A 56 -13.127 11.923 5.121 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -14.194 14.236 5.440 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.787 14.902 4.634 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -14.315 12.706 3.256 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -15.025 14.307 3.309 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -13.129 15.274 2.125 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -12.208 13.790 2.265 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.260 14.407 0.297 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -12.647 11.701 1.900 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -13.144 10.568 0.638 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -14.899 12.897 -1.203 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -14.368 11.219 -1.048 1.00 1.00 H new ATOM 820 N LYS A 57 -10.147 13.190 4.885 1.00 1.00 N ATOM 821 CA LYS A 57 -8.818 13.051 4.260 1.00 1.00 C ATOM 822 C LYS A 57 -8.383 11.584 4.203 1.00 1.00 C ATOM 823 O LYS A 57 -7.924 11.128 3.157 1.00 1.00 O ATOM 824 CB LYS A 57 -7.810 13.916 5.045 1.00 1.00 C ATOM 825 CG LYS A 57 -6.381 13.928 4.468 1.00 1.00 C ATOM 826 CD LYS A 57 -6.239 14.537 3.062 1.00 1.00 C ATOM 827 CE LYS A 57 -6.639 16.020 3.038 1.00 1.00 C ATOM 828 NZ LYS A 57 -6.358 16.646 1.718 1.00 1.00 N ATOM 0 H LYS A 57 -10.131 13.774 5.721 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.860 13.400 3.228 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -8.181 14.940 5.080 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -7.768 13.557 6.073 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -5.737 14.481 5.151 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -6.011 12.903 4.440 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -5.208 14.433 2.724 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -6.862 13.981 2.361 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -7.701 16.114 3.266 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -6.097 16.556 3.817 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -6.641 17.646 1.741 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -5.341 16.579 1.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -6.895 16.151 0.978 1.00 1.00 H new ATOM 842 N HIS A 58 -8.596 10.830 5.288 1.00 1.00 N ATOM 843 CA HIS A 58 -8.315 9.388 5.333 1.00 1.00 C ATOM 844 C HIS A 58 -9.147 8.652 4.280 1.00 1.00 C ATOM 845 O HIS A 58 -8.593 7.916 3.467 1.00 1.00 O ATOM 846 CB HIS A 58 -8.599 8.846 6.743 1.00 1.00 C ATOM 847 CG HIS A 58 -8.528 7.342 6.825 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.358 6.595 6.962 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.590 6.488 6.718 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.742 5.310 6.941 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.074 5.213 6.797 1.00 1.00 N ATOM 0 H HIS A 58 -8.969 11.202 6.162 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.262 9.219 5.105 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.882 9.276 7.442 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.589 9.175 7.059 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.628 6.759 6.596 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.071 4.468 7.028 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.610 4.346 6.754 1.00 1.00 H new ATOM 859 N ALA A 59 -10.459 8.908 4.226 1.00 1.00 N ATOM 860 CA ALA A 59 -11.349 8.310 3.228 1.00 1.00 C ATOM 861 C ALA A 59 -10.920 8.633 1.781 1.00 1.00 C ATOM 862 O ALA A 59 -11.017 7.773 0.905 1.00 1.00 O ATOM 863 CB ALA A 59 -12.791 8.744 3.527 1.00 1.00 C ATOM 0 H ALA A 59 -10.933 9.537 4.875 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.284 7.224 3.302 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.463 8.305 2.790 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -13.074 8.405 4.524 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.861 9.831 3.480 1.00 1.00 H new ATOM 869 N ASN A 60 -10.397 9.838 1.516 1.00 1.00 N ATOM 870 CA ASN A 60 -9.887 10.204 0.189 1.00 1.00 C ATOM 871 C ASN A 60 -8.621 9.398 -0.162 1.00 1.00 C ATOM 872 O ASN A 60 -8.509 8.886 -1.277 1.00 1.00 O ATOM 873 CB ASN A 60 -9.628 11.717 0.119 1.00 1.00 C ATOM 874 CG ASN A 60 -9.282 12.143 -1.299 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.012 11.874 -2.244 1.00 1.00 O ATOM 876 ND2 ASN A 60 -8.165 12.800 -1.505 1.00 1.00 N ATOM 0 H ASN A 60 -10.316 10.581 2.210 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.644 9.954 -0.554 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.511 12.257 0.460 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.812 11.982 0.792 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -7.908 13.085 -2.450 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -7.554 13.026 -0.720 1.00 1.00 H new ATOM 883 N LYS A 61 -7.689 9.221 0.788 1.00 1.00 N ATOM 884 CA LYS A 61 -6.498 8.379 0.568 1.00 1.00 C ATOM 885 C LYS A 61 -6.892 6.911 0.382 1.00 1.00 C ATOM 886 O LYS A 61 -6.314 6.249 -0.475 1.00 1.00 O ATOM 887 CB LYS A 61 -5.438 8.572 1.666 1.00 1.00 C ATOM 888 CG LYS A 61 -4.844 9.991 1.607 1.00 1.00 C ATOM 889 CD LYS A 61 -3.512 10.153 2.353 1.00 1.00 C ATOM 890 CE LYS A 61 -2.366 9.406 1.650 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.032 9.869 2.119 1.00 1.00 N ATOM 0 H LYS A 61 -7.735 9.647 1.713 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.028 8.707 -0.359 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.886 8.401 2.645 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.644 7.835 1.545 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.697 10.267 0.563 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -5.567 10.692 2.024 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.264 11.212 2.427 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.618 9.779 3.371 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -2.464 8.336 1.833 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.443 9.553 0.573 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.287 9.341 1.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -0.928 10.885 1.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -0.948 9.705 3.143 1.00 1.00 H new ATOM 905 N VAL A 62 -7.908 6.411 1.097 1.00 1.00 N ATOM 906 CA VAL A 62 -8.445 5.048 0.896 1.00 1.00 C ATOM 907 C VAL A 62 -9.010 4.912 -0.519 1.00 1.00 C ATOM 908 O VAL A 62 -8.689 3.944 -1.204 1.00 1.00 O ATOM 909 CB VAL A 62 -9.508 4.689 1.954 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.190 3.341 1.679 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.874 4.583 3.343 1.00 1.00 C ATOM 0 H VAL A 62 -8.384 6.935 1.831 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.625 4.340 1.018 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.247 5.489 1.907 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.928 3.141 2.456 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.685 3.375 0.708 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.442 2.548 1.677 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.641 4.329 4.075 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.109 3.807 3.335 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.420 5.537 3.610 1.00 1.00 H new ATOM 921 N ARG A 63 -9.786 5.892 -1.004 1.00 1.00 N ATOM 922 CA ARG A 63 -10.325 5.912 -2.377 1.00 1.00 C ATOM 923 C ARG A 63 -9.205 5.853 -3.426 1.00 1.00 C ATOM 924 O ARG A 63 -9.297 5.073 -4.375 1.00 1.00 O ATOM 925 CB ARG A 63 -11.214 7.156 -2.529 1.00 1.00 C ATOM 926 CG ARG A 63 -11.867 7.259 -3.914 1.00 1.00 C ATOM 927 CD ARG A 63 -12.911 8.379 -3.948 1.00 1.00 C ATOM 928 NE ARG A 63 -12.314 9.728 -3.815 1.00 1.00 N ATOM 929 CZ ARG A 63 -12.857 10.872 -4.194 1.00 1.00 C ATOM 930 NH1 ARG A 63 -14.022 10.934 -4.775 1.00 1.00 N ATOM 931 NH2 ARG A 63 -12.234 11.992 -3.979 1.00 1.00 N ATOM 0 H ARG A 63 -10.062 6.703 -0.450 1.00 1.00 H new ATOM 0 HA ARG A 63 -10.931 5.023 -2.552 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -11.993 7.135 -1.767 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -10.615 8.049 -2.348 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -11.102 7.447 -4.667 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -12.339 6.310 -4.169 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -13.466 8.323 -4.885 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -13.629 8.224 -3.143 1.00 1.00 H new ATOM 0 HE ARG A 63 -11.389 9.779 -3.387 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -14.550 10.079 -4.952 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -14.406 11.837 -5.052 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -11.325 11.989 -3.517 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -12.654 12.874 -4.272 1.00 1.00 H new ATOM 945 N ARG A 64 -8.123 6.619 -3.228 1.00 1.00 N ATOM 946 CA ARG A 64 -6.935 6.618 -4.104 1.00 1.00 C ATOM 947 C ARG A 64 -6.196 5.275 -4.056 1.00 1.00 C ATOM 948 O ARG A 64 -5.853 4.735 -5.102 1.00 1.00 O ATOM 949 CB ARG A 64 -6.020 7.799 -3.721 1.00 1.00 C ATOM 950 CG ARG A 64 -4.731 7.918 -4.554 1.00 1.00 C ATOM 951 CD ARG A 64 -4.988 8.079 -6.060 1.00 1.00 C ATOM 952 NE ARG A 64 -3.723 8.222 -6.812 1.00 1.00 N ATOM 953 CZ ARG A 64 -3.064 9.337 -7.077 1.00 1.00 C ATOM 954 NH1 ARG A 64 -3.473 10.506 -6.670 1.00 1.00 N ATOM 955 NH2 ARG A 64 -1.959 9.297 -7.765 1.00 1.00 N ATOM 0 H ARG A 64 -8.044 7.267 -2.444 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.255 6.747 -5.138 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.586 8.725 -3.820 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -5.748 7.703 -2.670 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -4.155 8.773 -4.198 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -4.119 7.031 -4.391 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -5.538 7.214 -6.431 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -5.616 8.953 -6.232 1.00 1.00 H new ATOM 0 HE ARG A 64 -3.311 7.360 -7.168 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -4.332 10.585 -6.125 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -2.934 11.342 -6.896 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -1.600 8.404 -8.101 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -1.453 10.159 -7.968 1.00 1.00 H new ATOM 969 N TYR A 65 -5.981 4.720 -2.863 1.00 1.00 N ATOM 970 CA TYR A 65 -5.322 3.426 -2.649 1.00 1.00 C ATOM 971 C TYR A 65 -6.119 2.266 -3.269 1.00 1.00 C ATOM 972 O TYR A 65 -5.545 1.401 -3.929 1.00 1.00 O ATOM 973 CB TYR A 65 -5.112 3.229 -1.142 1.00 1.00 C ATOM 974 CG TYR A 65 -4.299 2.005 -0.765 1.00 1.00 C ATOM 975 CD1 TYR A 65 -4.940 0.768 -0.555 1.00 1.00 C ATOM 976 CD2 TYR A 65 -2.905 2.113 -0.588 1.00 1.00 C ATOM 977 CE1 TYR A 65 -4.191 -0.362 -0.171 1.00 1.00 C ATOM 978 CE2 TYR A 65 -2.153 0.988 -0.201 1.00 1.00 C ATOM 979 CZ TYR A 65 -2.793 -0.254 0.008 1.00 1.00 C ATOM 980 OH TYR A 65 -2.058 -1.337 0.382 1.00 1.00 O ATOM 0 H TYR A 65 -6.267 5.169 -1.993 1.00 1.00 H new ATOM 0 HA TYR A 65 -4.356 3.427 -3.153 1.00 1.00 H new ATOM 0 HB2 TYR A 65 -4.618 4.113 -0.740 1.00 1.00 H new ATOM 0 HB3 TYR A 65 -6.087 3.162 -0.660 1.00 1.00 H new ATOM 0 HD1 TYR A 65 -6.009 0.686 -0.689 1.00 1.00 H new ATOM 0 HD2 TYR A 65 -2.413 3.061 -0.750 1.00 1.00 H new ATOM 0 HE1 TYR A 65 -4.685 -1.310 -0.014 1.00 1.00 H new ATOM 0 HE2 TYR A 65 -1.085 1.074 -0.064 1.00 1.00 H new ATOM 0 HH TYR A 65 -1.115 -1.082 0.457 1.00 1.00 H new ATOM 990 N MET A 66 -7.447 2.257 -3.121 1.00 1.00 N ATOM 991 CA MET A 66 -8.323 1.240 -3.719 1.00 1.00 C ATOM 992 C MET A 66 -8.246 1.244 -5.253 1.00 1.00 C ATOM 993 O MET A 66 -8.281 0.175 -5.863 1.00 1.00 O ATOM 994 CB MET A 66 -9.772 1.437 -3.241 1.00 1.00 C ATOM 995 CG MET A 66 -9.945 0.984 -1.787 1.00 1.00 C ATOM 996 SD MET A 66 -9.766 -0.805 -1.537 1.00 1.00 S ATOM 997 CE MET A 66 -8.928 -0.787 0.068 1.00 1.00 C ATOM 0 H MET A 66 -7.950 2.960 -2.579 1.00 1.00 H new ATOM 0 HA MET A 66 -7.972 0.263 -3.385 1.00 1.00 H new ATOM 0 HB2 MET A 66 -10.048 2.488 -3.332 1.00 1.00 H new ATOM 0 HB3 MET A 66 -10.449 0.873 -3.883 1.00 1.00 H new ATOM 0 HG2 MET A 66 -9.212 1.501 -1.168 1.00 1.00 H new ATOM 0 HG3 MET A 66 -10.931 1.291 -1.438 1.00 1.00 H new ATOM 0 HE1 MET A 66 -8.733 -1.811 0.388 1.00 1.00 H new ATOM 0 HE2 MET A 66 -7.984 -0.248 -0.020 1.00 1.00 H new ATOM 0 HE3 MET A 66 -9.561 -0.291 0.804 1.00 1.00 H new ATOM 1007 N ALA A 67 -8.079 2.417 -5.875 1.00 1.00 N ATOM 1008 CA ALA A 67 -7.921 2.563 -7.326 1.00 1.00 C ATOM 1009 C ALA A 67 -6.600 1.968 -7.878 1.00 1.00 C ATOM 1010 O ALA A 67 -6.472 1.798 -9.093 1.00 1.00 O ATOM 1011 CB ALA A 67 -8.071 4.046 -7.688 1.00 1.00 C ATOM 0 H ALA A 67 -8.049 3.306 -5.376 1.00 1.00 H new ATOM 0 HA ALA A 67 -8.704 1.977 -7.807 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -7.956 4.171 -8.765 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -9.058 4.396 -7.385 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -7.306 4.626 -7.172 1.00 1.00 H new ATOM 1017 N ILE A 68 -5.626 1.631 -7.016 1.00 1.00 N ATOM 1018 CA ILE A 68 -4.352 0.996 -7.412 1.00 1.00 C ATOM 1019 C ILE A 68 -4.594 -0.459 -7.872 1.00 1.00 C ATOM 1020 O ILE A 68 -3.864 -0.965 -8.731 1.00 1.00 O ATOM 1021 CB ILE A 68 -3.309 1.077 -6.263 1.00 1.00 C ATOM 1022 CG1 ILE A 68 -3.051 2.552 -5.863 1.00 1.00 C ATOM 1023 CG2 ILE A 68 -1.974 0.411 -6.640 1.00 1.00 C ATOM 1024 CD1 ILE A 68 -2.121 2.748 -4.658 1.00 1.00 C ATOM 0 H ILE A 68 -5.700 1.793 -6.012 1.00 1.00 H new ATOM 0 HA ILE A 68 -3.938 1.544 -8.258 1.00 1.00 H new ATOM 0 HB ILE A 68 -3.731 0.534 -5.418 1.00 1.00 H new ATOM 0 HG12 ILE A 68 -2.625 3.075 -6.719 1.00 1.00 H new ATOM 0 HG13 ILE A 68 -4.008 3.025 -5.644 1.00 1.00 H new ATOM 0 HG21 ILE A 68 -1.278 0.493 -5.805 1.00 1.00 H new ATOM 0 HG22 ILE A 68 -2.144 -0.641 -6.868 1.00 1.00 H new ATOM 0 HG23 ILE A 68 -1.553 0.908 -7.514 1.00 1.00 H new ATOM 0 HD11 ILE A 68 -2.004 3.813 -4.458 1.00 1.00 H new ATOM 0 HD12 ILE A 68 -2.551 2.260 -3.783 1.00 1.00 H new ATOM 0 HD13 ILE A 68 -1.147 2.310 -4.875 1.00 1.00 H new ATOM 1036 N ASN A 69 -5.629 -1.131 -7.346 1.00 1.00 N ATOM 1037 CA ASN A 69 -5.996 -2.500 -7.740 1.00 1.00 C ATOM 1038 C ASN A 69 -6.380 -2.599 -9.235 1.00 1.00 C ATOM 1039 O ASN A 69 -6.890 -1.642 -9.827 1.00 1.00 O ATOM 1040 CB ASN A 69 -7.156 -2.996 -6.858 1.00 1.00 C ATOM 1041 CG ASN A 69 -6.773 -3.111 -5.393 1.00 1.00 C ATOM 1042 OD1 ASN A 69 -6.046 -4.004 -4.982 1.00 1.00 O ATOM 1043 ND2 ASN A 69 -7.243 -2.208 -4.565 1.00 1.00 N ATOM 0 H ASN A 69 -6.239 -0.737 -6.630 1.00 1.00 H new ATOM 0 HA ASN A 69 -5.121 -3.133 -7.594 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -7.999 -2.312 -6.956 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -7.491 -3.969 -7.219 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -7.002 -2.250 -3.575 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -7.849 -1.465 -4.912 1.00 1.00 H new ATOM 1050 N GLN A 70 -6.162 -3.773 -9.842 1.00 1.00 N ATOM 1051 CA GLN A 70 -6.492 -4.038 -11.251 1.00 1.00 C ATOM 1052 C GLN A 70 -7.997 -3.885 -11.563 1.00 1.00 C ATOM 1053 O GLN A 70 -8.858 -4.143 -10.714 1.00 1.00 O ATOM 1054 CB GLN A 70 -5.950 -5.416 -11.677 1.00 1.00 C ATOM 1055 CG GLN A 70 -6.617 -6.610 -10.967 1.00 1.00 C ATOM 1056 CD GLN A 70 -6.030 -7.968 -11.367 1.00 1.00 C ATOM 1057 OE1 GLN A 70 -5.250 -8.115 -12.300 1.00 1.00 O ATOM 1058 NE2 GLN A 70 -6.384 -9.028 -10.668 1.00 1.00 N ATOM 0 H GLN A 70 -5.748 -4.574 -9.365 1.00 1.00 H new ATOM 0 HA GLN A 70 -5.996 -3.272 -11.848 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -6.083 -5.528 -12.753 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -4.878 -5.447 -11.483 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -6.516 -6.483 -9.889 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -7.684 -6.605 -11.190 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -7.032 -8.930 -9.887 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -6.010 -9.946 -10.909 1.00 1.00 H new ATOM 1067 N GLY A 71 -8.316 -3.480 -12.795 1.00 1.00 N ATOM 1068 CA GLY A 71 -9.686 -3.274 -13.281 1.00 1.00 C ATOM 1069 C GLY A 71 -9.744 -2.580 -14.648 1.00 1.00 C ATOM 1070 O GLY A 71 -8.714 -2.296 -15.265 1.00 1.00 O ATOM 0 H GLY A 71 -7.610 -3.280 -13.503 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -10.190 -4.238 -13.349 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -10.237 -2.677 -12.554 1.00 1.00 H new ATOM 1074 N GLU A 72 -10.958 -2.296 -15.121 1.00 1.00 N ATOM 1075 CA GLU A 72 -11.241 -1.631 -16.401 1.00 1.00 C ATOM 1076 C GLU A 72 -12.555 -0.821 -16.360 1.00 1.00 C ATOM 1077 O GLU A 72 -13.373 -0.970 -15.447 1.00 1.00 O ATOM 1078 CB GLU A 72 -11.256 -2.660 -17.553 1.00 1.00 C ATOM 1079 CG GLU A 72 -12.364 -3.725 -17.496 1.00 1.00 C ATOM 1080 CD GLU A 72 -12.117 -4.808 -16.425 1.00 1.00 C ATOM 1081 OE1 GLU A 72 -11.214 -5.660 -16.614 1.00 1.00 O ATOM 1082 OE2 GLU A 72 -12.839 -4.836 -15.398 1.00 1.00 O ATOM 0 H GLU A 72 -11.806 -2.530 -14.606 1.00 1.00 H new ATOM 0 HA GLU A 72 -10.438 -0.917 -16.583 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -11.349 -2.119 -18.495 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -10.292 -3.169 -17.571 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -13.318 -3.237 -17.295 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -12.450 -4.202 -18.472 1.00 1.00 H new ATOM 1089 N ASP A 73 -12.767 0.040 -17.359 1.00 1.00 N ATOM 1090 CA ASP A 73 -13.978 0.863 -17.498 1.00 1.00 C ATOM 1091 C ASP A 73 -15.239 0.001 -17.734 1.00 1.00 C ATOM 1092 O ASP A 73 -15.197 -0.994 -18.467 1.00 1.00 O ATOM 1093 CB ASP A 73 -13.769 1.858 -18.649 1.00 1.00 C ATOM 1094 CG ASP A 73 -14.962 2.816 -18.808 1.00 1.00 C ATOM 1095 OD1 ASP A 73 -15.227 3.604 -17.869 1.00 1.00 O ATOM 1096 OD2 ASP A 73 -15.630 2.787 -19.869 1.00 1.00 O ATOM 0 H ASP A 73 -12.092 0.189 -18.109 1.00 1.00 H new ATOM 0 HA ASP A 73 -14.144 1.404 -16.567 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -12.862 2.435 -18.469 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -13.618 1.310 -19.579 1.00 1.00 H new ATOM 1101 N SER A 74 -16.370 0.385 -17.130 1.00 1.00 N ATOM 1102 CA SER A 74 -17.658 -0.319 -17.249 1.00 1.00 C ATOM 1103 C SER A 74 -18.868 0.616 -17.051 1.00 1.00 C ATOM 1104 O SER A 74 -18.714 1.821 -16.830 1.00 1.00 O ATOM 1105 CB SER A 74 -17.700 -1.491 -16.257 1.00 1.00 C ATOM 1106 OG SER A 74 -18.634 -2.465 -16.701 1.00 1.00 O ATOM 0 H SER A 74 -16.419 1.210 -16.532 1.00 1.00 H new ATOM 0 HA SER A 74 -17.732 -0.702 -18.267 1.00 1.00 H new ATOM 0 HB2 SER A 74 -16.710 -1.938 -16.166 1.00 1.00 H new ATOM 0 HB3 SER A 74 -17.979 -1.131 -15.267 1.00 1.00 H new ATOM 0 HG SER A 74 -18.271 -3.362 -16.544 1.00 1.00 H new ATOM 1112 N VAL A 75 -20.082 0.062 -17.140 1.00 1.00 N ATOM 1113 CA VAL A 75 -21.371 0.776 -17.043 1.00 1.00 C ATOM 1114 C VAL A 75 -22.408 -0.051 -16.250 1.00 1.00 C ATOM 1115 O VAL A 75 -22.440 -1.278 -16.397 1.00 1.00 O ATOM 1116 CB VAL A 75 -21.839 1.106 -18.485 1.00 1.00 C ATOM 1117 CG1 VAL A 75 -22.178 -0.133 -19.327 1.00 1.00 C ATOM 1118 CG2 VAL A 75 -23.023 2.076 -18.551 1.00 1.00 C ATOM 0 H VAL A 75 -20.204 -0.940 -17.288 1.00 1.00 H new ATOM 0 HA VAL A 75 -21.256 1.706 -16.487 1.00 1.00 H new ATOM 0 HB VAL A 75 -20.964 1.595 -18.913 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -22.497 0.179 -20.321 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -21.296 -0.768 -19.411 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -22.982 -0.691 -18.847 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -23.289 2.255 -19.593 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -23.876 1.645 -18.028 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -22.747 3.019 -18.080 1.00 1.00 H new ATOM 1128 N PRO A 76 -23.276 0.559 -15.411 1.00 1.00 N ATOM 1129 CA PRO A 76 -24.295 -0.170 -14.637 1.00 1.00 C ATOM 1130 C PRO A 76 -25.440 -0.760 -15.488 1.00 1.00 C ATOM 1131 O PRO A 76 -26.240 -1.549 -14.981 1.00 1.00 O ATOM 1132 CB PRO A 76 -24.817 0.838 -13.605 1.00 1.00 C ATOM 1133 CG PRO A 76 -24.634 2.182 -14.304 1.00 1.00 C ATOM 1134 CD PRO A 76 -23.341 1.982 -15.091 1.00 1.00 C ATOM 0 HA PRO A 76 -23.849 -1.051 -14.175 1.00 1.00 H new ATOM 0 HB2 PRO A 76 -25.862 0.653 -13.355 1.00 1.00 H new ATOM 0 HB3 PRO A 76 -24.253 0.789 -12.674 1.00 1.00 H new ATOM 0 HG2 PRO A 76 -25.474 2.415 -14.959 1.00 1.00 H new ATOM 0 HG3 PRO A 76 -24.550 3.001 -13.590 1.00 1.00 H new ATOM 0 HD2 PRO A 76 -23.340 2.586 -15.999 1.00 1.00 H new ATOM 0 HD3 PRO A 76 -22.476 2.289 -14.503 1.00 1.00 H new ATOM 1142 N ALA A 77 -25.518 -0.419 -16.783 1.00 1.00 N ATOM 1143 CA ALA A 77 -26.529 -0.908 -17.730 1.00 1.00 C ATOM 1144 C ALA A 77 -26.616 -2.450 -17.832 1.00 1.00 C ATOM 1145 O ALA A 77 -27.653 -2.985 -18.229 1.00 1.00 O ATOM 1146 CB ALA A 77 -26.265 -0.263 -19.097 1.00 1.00 C ATOM 0 H ALA A 77 -24.856 0.227 -17.214 1.00 1.00 H new ATOM 0 HA ALA A 77 -27.507 -0.612 -17.350 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -27.007 -0.614 -19.814 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -26.333 0.821 -19.007 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -25.268 -0.537 -19.442 1.00 1.00 H new ATOM 1152 N LYS A 78 -25.560 -3.173 -17.417 1.00 1.00 N ATOM 1153 CA LYS A 78 -25.498 -4.649 -17.352 1.00 1.00 C ATOM 1154 C LYS A 78 -26.589 -5.274 -16.459 1.00 1.00 C ATOM 1155 O LYS A 78 -26.892 -6.460 -16.605 1.00 1.00 O ATOM 1156 CB LYS A 78 -24.113 -5.089 -16.838 1.00 1.00 C ATOM 1157 CG LYS A 78 -22.939 -4.615 -17.713 1.00 1.00 C ATOM 1158 CD LYS A 78 -21.591 -5.207 -17.265 1.00 1.00 C ATOM 1159 CE LYS A 78 -21.245 -4.981 -15.782 1.00 1.00 C ATOM 1160 NZ LYS A 78 -20.974 -3.554 -15.469 1.00 1.00 N ATOM 0 H LYS A 78 -24.694 -2.732 -17.106 1.00 1.00 H new ATOM 0 HA LYS A 78 -25.672 -5.008 -18.366 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -23.975 -4.708 -15.826 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -24.089 -6.177 -16.775 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -23.128 -4.894 -18.750 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -22.883 -3.527 -17.681 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -21.598 -6.279 -17.462 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -20.800 -4.775 -17.878 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -22.069 -5.335 -15.163 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -20.371 -5.578 -15.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -20.897 -3.433 -14.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -20.083 -3.263 -15.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -21.752 -2.966 -15.829 1.00 1.00 H new ATOM 1174 N LYS A 79 -27.179 -4.483 -15.549 1.00 1.00 N ATOM 1175 CA LYS A 79 -28.244 -4.865 -14.597 1.00 1.00 C ATOM 1176 C LYS A 79 -29.531 -4.040 -14.821 1.00 1.00 C ATOM 1177 O LYS A 79 -30.290 -3.769 -13.890 1.00 1.00 O ATOM 1178 CB LYS A 79 -27.670 -4.766 -13.166 1.00 1.00 C ATOM 1179 CG LYS A 79 -28.404 -5.676 -12.162 1.00 1.00 C ATOM 1180 CD LYS A 79 -27.928 -5.486 -10.713 1.00 1.00 C ATOM 1181 CE LYS A 79 -26.462 -5.898 -10.515 1.00 1.00 C ATOM 1182 NZ LYS A 79 -26.047 -5.769 -9.094 1.00 1.00 N ATOM 0 H LYS A 79 -26.913 -3.503 -15.449 1.00 1.00 H new ATOM 0 HA LYS A 79 -28.556 -5.896 -14.762 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -26.613 -5.032 -13.185 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -27.733 -3.733 -12.825 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -29.474 -5.476 -12.215 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -28.259 -6.717 -12.452 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -28.050 -4.441 -10.428 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -28.560 -6.073 -10.047 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -26.325 -6.928 -10.843 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -25.821 -5.277 -11.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -25.052 -6.055 -8.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -26.155 -4.781 -8.789 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -26.643 -6.381 -8.501 1.00 1.00 H new ATOM 1196 N PHE A 80 -29.767 -3.622 -16.067 1.00 1.00 N ATOM 1197 CA PHE A 80 -30.913 -2.814 -16.506 1.00 1.00 C ATOM 1198 C PHE A 80 -31.457 -3.295 -17.870 1.00 1.00 C ATOM 1199 O PHE A 80 -30.921 -4.229 -18.475 1.00 1.00 O ATOM 1200 CB PHE A 80 -30.469 -1.336 -16.530 1.00 1.00 C ATOM 1201 CG PHE A 80 -31.581 -0.334 -16.780 1.00 1.00 C ATOM 1202 CD1 PHE A 80 -32.607 -0.169 -15.831 1.00 1.00 C ATOM 1203 CD2 PHE A 80 -31.626 0.391 -17.989 1.00 1.00 C ATOM 1204 CE1 PHE A 80 -33.676 0.708 -16.090 1.00 1.00 C ATOM 1205 CE2 PHE A 80 -32.696 1.266 -18.247 1.00 1.00 C ATOM 1206 CZ PHE A 80 -33.722 1.424 -17.299 1.00 1.00 C ATOM 0 H PHE A 80 -29.135 -3.847 -16.836 1.00 1.00 H new ATOM 0 HA PHE A 80 -31.744 -2.926 -15.810 1.00 1.00 H new ATOM 0 HB2 PHE A 80 -29.995 -1.100 -15.577 1.00 1.00 H new ATOM 0 HB3 PHE A 80 -29.710 -1.213 -17.303 1.00 1.00 H new ATOM 0 HD1 PHE A 80 -32.574 -0.717 -14.901 1.00 1.00 H new ATOM 0 HD2 PHE A 80 -30.837 0.274 -18.718 1.00 1.00 H new ATOM 0 HE1 PHE A 80 -34.462 0.831 -15.360 1.00 1.00 H new ATOM 0 HE2 PHE A 80 -32.730 1.818 -19.175 1.00 1.00 H new ATOM 0 HZ PHE A 80 -34.545 2.095 -17.499 1.00 1.00 H new ATOM 1216 N LYS A 81 -32.531 -2.662 -18.363 1.00 1.00 N ATOM 1217 CA LYS A 81 -33.224 -2.922 -19.642 1.00 1.00 C ATOM 1218 C LYS A 81 -32.408 -2.458 -20.870 1.00 1.00 C ATOM 1219 O LYS A 81 -32.858 -1.616 -21.652 1.00 1.00 O ATOM 1220 CB LYS A 81 -34.629 -2.282 -19.596 1.00 1.00 C ATOM 1221 CG LYS A 81 -35.521 -2.878 -18.493 1.00 1.00 C ATOM 1222 CD LYS A 81 -36.924 -2.259 -18.529 1.00 1.00 C ATOM 1223 CE LYS A 81 -37.802 -2.877 -17.434 1.00 1.00 C ATOM 1224 NZ LYS A 81 -39.175 -2.305 -17.446 1.00 1.00 N ATOM 0 H LYS A 81 -32.972 -1.901 -17.846 1.00 1.00 H new ATOM 0 HA LYS A 81 -33.330 -4.000 -19.764 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -34.529 -1.209 -19.435 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -35.116 -2.416 -20.562 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -35.592 -3.958 -18.622 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -35.067 -2.702 -17.518 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -36.858 -1.180 -18.387 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -37.378 -2.424 -19.506 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -37.856 -3.956 -17.576 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -37.344 -2.706 -16.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -39.741 -2.745 -16.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -39.125 -1.279 -17.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -39.620 -2.491 -18.367 1.00 1.00 H new ATOM 1238 N ALA A 82 -31.196 -2.990 -21.025 1.00 1.00 N ATOM 1239 CA ALA A 82 -30.249 -2.676 -22.099 1.00 1.00 C ATOM 1240 C ALA A 82 -29.510 -3.931 -22.614 1.00 1.00 C ATOM 1241 O ALA A 82 -29.494 -4.980 -21.962 1.00 1.00 O ATOM 1242 CB ALA A 82 -29.264 -1.627 -21.563 1.00 1.00 C ATOM 0 H ALA A 82 -30.829 -3.685 -20.375 1.00 1.00 H new ATOM 0 HA ALA A 82 -30.793 -2.282 -22.958 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -28.545 -1.372 -22.341 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -29.811 -0.732 -21.267 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -28.736 -2.031 -20.699 1.00 1.00 H new ATOM 1248 N ALA A 83 -28.893 -3.821 -23.795 1.00 1.00 N ATOM 1249 CA ALA A 83 -28.143 -4.904 -24.441 1.00 1.00 C ATOM 1250 C ALA A 83 -26.859 -5.305 -23.664 1.00 1.00 C ATOM 1251 O ALA A 83 -26.241 -4.449 -23.018 1.00 1.00 O ATOM 1252 CB ALA A 83 -27.801 -4.449 -25.868 1.00 1.00 C ATOM 0 H ALA A 83 -28.901 -2.959 -24.340 1.00 1.00 H new ATOM 0 HA ALA A 83 -28.764 -5.800 -24.454 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -27.242 -5.235 -26.376 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -28.721 -4.247 -26.416 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -27.197 -3.543 -25.826 1.00 1.00 H new ATOM 1258 N PRO A 84 -26.426 -6.582 -23.732 1.00 1.00 N ATOM 1259 CA PRO A 84 -25.208 -7.064 -23.072 1.00 1.00 C ATOM 1260 C PRO A 84 -23.925 -6.573 -23.774 1.00 1.00 C ATOM 1261 O PRO A 84 -23.957 -6.100 -24.915 1.00 1.00 O ATOM 1262 CB PRO A 84 -25.318 -8.593 -23.112 1.00 1.00 C ATOM 1263 CG PRO A 84 -26.095 -8.852 -24.402 1.00 1.00 C ATOM 1264 CD PRO A 84 -27.067 -7.673 -24.459 1.00 1.00 C ATOM 0 HA PRO A 84 -25.131 -6.681 -22.054 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -24.337 -9.067 -23.131 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -25.844 -8.982 -22.240 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -25.438 -8.876 -25.271 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -26.620 -9.807 -24.373 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -27.271 -7.386 -25.491 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -28.023 -7.934 -24.005 1.00 1.00 H new ATOM 1272 N ALA A 85 -22.781 -6.709 -23.096 1.00 1.00 N ATOM 1273 CA ALA A 85 -21.467 -6.332 -23.627 1.00 1.00 C ATOM 1274 C ALA A 85 -21.067 -7.177 -24.860 1.00 1.00 C ATOM 1275 O ALA A 85 -21.293 -8.391 -24.902 1.00 1.00 O ATOM 1276 CB ALA A 85 -20.432 -6.464 -22.502 1.00 1.00 C ATOM 0 H ALA A 85 -22.741 -7.089 -22.150 1.00 1.00 H new ATOM 0 HA ALA A 85 -21.510 -5.299 -23.974 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -19.447 -6.187 -22.879 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -20.704 -5.804 -21.678 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -20.409 -7.495 -22.148 1.00 1.00 H new ATOM 1282 N GLU A 86 -20.452 -6.537 -25.859 1.00 1.00 N ATOM 1283 CA GLU A 86 -19.991 -7.152 -27.116 1.00 1.00 C ATOM 1284 C GLU A 86 -18.862 -6.310 -27.752 1.00 1.00 C ATOM 1285 O GLU A 86 -18.761 -5.105 -27.497 1.00 1.00 O ATOM 1286 CB GLU A 86 -21.200 -7.270 -28.069 1.00 1.00 C ATOM 1287 CG GLU A 86 -20.930 -8.105 -29.328 1.00 1.00 C ATOM 1288 CD GLU A 86 -22.234 -8.363 -30.111 1.00 1.00 C ATOM 1289 OE1 GLU A 86 -22.676 -7.474 -30.880 1.00 1.00 O ATOM 1290 OE2 GLU A 86 -22.824 -9.463 -29.971 1.00 1.00 O ATOM 0 H GLU A 86 -20.252 -5.538 -25.817 1.00 1.00 H new ATOM 0 HA GLU A 86 -19.582 -8.143 -26.919 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -22.035 -7.712 -27.525 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -21.510 -6.269 -28.370 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -20.215 -7.586 -29.966 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -20.476 -9.055 -29.048 1.00 1.00 H new ATOM 1297 N ILE A 87 -18.018 -6.926 -28.592 1.00 1.00 N ATOM 1298 CA ILE A 87 -16.927 -6.248 -29.319 1.00 1.00 C ATOM 1299 C ILE A 87 -17.485 -5.130 -30.225 1.00 1.00 C ATOM 1300 O ILE A 87 -18.540 -5.274 -30.852 1.00 1.00 O ATOM 1301 CB ILE A 87 -16.089 -7.288 -30.112 1.00 1.00 C ATOM 1302 CG1 ILE A 87 -15.214 -8.105 -29.130 1.00 1.00 C ATOM 1303 CG2 ILE A 87 -15.183 -6.653 -31.187 1.00 1.00 C ATOM 1304 CD1 ILE A 87 -14.680 -9.419 -29.716 1.00 1.00 C ATOM 0 H ILE A 87 -18.072 -7.925 -28.791 1.00 1.00 H new ATOM 0 HA ILE A 87 -16.261 -5.768 -28.601 1.00 1.00 H new ATOM 0 HB ILE A 87 -16.800 -7.930 -30.632 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -14.371 -7.491 -28.813 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -15.799 -8.328 -28.238 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -14.626 -7.436 -31.702 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -15.797 -6.111 -31.906 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -14.485 -5.963 -30.713 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -14.077 -9.933 -28.967 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -15.517 -10.054 -30.006 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -14.067 -9.204 -30.591 1.00 1.00 H new ATOM 1316 N SER A 88 -16.746 -4.024 -30.310 1.00 1.00 N ATOM 1317 CA SER A 88 -17.046 -2.832 -31.116 1.00 1.00 C ATOM 1318 C SER A 88 -15.773 -2.292 -31.791 1.00 1.00 C ATOM 1319 O SER A 88 -14.677 -2.822 -31.584 1.00 1.00 O ATOM 1320 CB SER A 88 -17.712 -1.765 -30.231 1.00 1.00 C ATOM 1321 OG SER A 88 -16.852 -1.355 -29.177 1.00 1.00 O ATOM 0 H SER A 88 -15.873 -3.926 -29.791 1.00 1.00 H new ATOM 0 HA SER A 88 -17.740 -3.103 -31.911 1.00 1.00 H new ATOM 0 HB2 SER A 88 -17.981 -0.902 -30.840 1.00 1.00 H new ATOM 0 HB3 SER A 88 -18.637 -2.162 -29.814 1.00 1.00 H new ATOM 0 HG SER A 88 -17.302 -0.675 -28.633 1.00 1.00 H new ATOM 1327 N ASP A 89 -15.899 -1.255 -32.627 1.00 1.00 N ATOM 1328 CA ASP A 89 -14.765 -0.656 -33.344 1.00 1.00 C ATOM 1329 C ASP A 89 -13.656 -0.160 -32.390 1.00 1.00 C ATOM 1330 O ASP A 89 -13.900 0.662 -31.501 1.00 1.00 O ATOM 1331 CB ASP A 89 -15.262 0.477 -34.251 1.00 1.00 C ATOM 1332 CG ASP A 89 -14.142 0.945 -35.188 1.00 1.00 C ATOM 1333 OD1 ASP A 89 -13.740 0.133 -36.057 1.00 1.00 O ATOM 1334 OD2 ASP A 89 -13.675 2.102 -35.065 1.00 1.00 O ATOM 0 H ASP A 89 -16.793 -0.806 -32.827 1.00 1.00 H new ATOM 0 HA ASP A 89 -14.314 -1.435 -33.959 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -16.115 0.134 -34.837 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -15.608 1.313 -33.643 1.00 1.00 H new ATOM 1339 N GLY A 90 -12.435 -0.668 -32.573 1.00 1.00 N ATOM 1340 CA GLY A 90 -11.268 -0.344 -31.750 1.00 1.00 C ATOM 1341 C GLY A 90 -10.013 -1.121 -32.158 1.00 1.00 C ATOM 1342 O GLY A 90 -10.014 -1.849 -33.155 1.00 1.00 O ATOM 0 H GLY A 90 -12.225 -1.333 -33.317 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -11.066 0.725 -31.821 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -11.497 -0.557 -30.706 1.00 1.00 H new ATOM 1346 N GLU A 91 -8.942 -0.964 -31.373 1.00 1.00 N ATOM 1347 CA GLU A 91 -7.616 -1.571 -31.594 1.00 1.00 C ATOM 1348 C GLU A 91 -7.618 -3.084 -31.890 1.00 1.00 C ATOM 1349 O GLU A 91 -6.731 -3.567 -32.597 1.00 1.00 O ATOM 1350 CB GLU A 91 -6.697 -1.266 -30.398 1.00 1.00 C ATOM 1351 CG GLU A 91 -6.320 0.221 -30.321 1.00 1.00 C ATOM 1352 CD GLU A 91 -5.216 0.465 -29.276 1.00 1.00 C ATOM 1353 OE1 GLU A 91 -5.532 0.595 -28.067 1.00 1.00 O ATOM 1354 OE2 GLU A 91 -4.022 0.532 -29.660 1.00 1.00 O ATOM 0 H GLU A 91 -8.972 -0.388 -30.531 1.00 1.00 H new ATOM 0 HA GLU A 91 -7.240 -1.109 -32.507 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -7.195 -1.561 -29.475 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -5.790 -1.866 -30.477 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -5.980 0.563 -31.299 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -7.202 0.809 -30.066 1.00 1.00 H new ATOM 1361 N ASP A 92 -8.621 -3.832 -31.413 1.00 1.00 N ATOM 1362 CA ASP A 92 -8.788 -5.273 -31.670 1.00 1.00 C ATOM 1363 C ASP A 92 -8.884 -5.628 -33.175 1.00 1.00 C ATOM 1364 O ASP A 92 -8.643 -6.778 -33.555 1.00 1.00 O ATOM 1365 CB ASP A 92 -10.025 -5.779 -30.904 1.00 1.00 C ATOM 1366 CG ASP A 92 -10.130 -7.315 -30.917 1.00 1.00 C ATOM 1367 OD1 ASP A 92 -9.278 -7.984 -30.283 1.00 1.00 O ATOM 1368 OD2 ASP A 92 -11.082 -7.856 -31.527 1.00 1.00 O ATOM 0 H ASP A 92 -9.358 -3.445 -30.823 1.00 1.00 H new ATOM 0 HA ASP A 92 -7.890 -5.776 -31.312 1.00 1.00 H new ATOM 0 HB2 ASP A 92 -9.980 -5.428 -29.873 1.00 1.00 H new ATOM 0 HB3 ASP A 92 -10.924 -5.351 -31.347 1.00 1.00 H new ATOM 1373 N ARG A 93 -9.202 -4.646 -34.037 1.00 1.00 N ATOM 1374 CA ARG A 93 -9.328 -4.795 -35.501 1.00 1.00 C ATOM 1375 C ARG A 93 -8.628 -3.695 -36.322 1.00 1.00 C ATOM 1376 O ARG A 93 -8.965 -3.508 -37.492 1.00 1.00 O ATOM 1377 CB ARG A 93 -10.811 -4.970 -35.868 1.00 1.00 C ATOM 1378 CG ARG A 93 -11.672 -3.703 -35.725 1.00 1.00 C ATOM 1379 CD ARG A 93 -13.063 -4.011 -36.279 1.00 1.00 C ATOM 1380 NE ARG A 93 -13.857 -2.788 -36.502 1.00 1.00 N ATOM 1381 CZ ARG A 93 -15.050 -2.718 -37.063 1.00 1.00 C ATOM 1382 NH1 ARG A 93 -15.731 -3.772 -37.412 1.00 1.00 N ATOM 1383 NH2 ARG A 93 -15.568 -1.549 -37.285 1.00 1.00 N ATOM 0 H ARG A 93 -9.385 -3.693 -33.724 1.00 1.00 H new ATOM 0 HA ARG A 93 -8.782 -5.695 -35.783 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -10.876 -5.320 -36.898 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -11.235 -5.752 -35.238 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -11.736 -3.402 -34.679 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -11.221 -2.873 -36.268 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -12.966 -4.555 -37.218 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -13.592 -4.664 -35.585 1.00 1.00 H new ATOM 0 HE ARG A 93 -13.443 -1.909 -36.192 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -15.346 -4.703 -37.255 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -16.650 -3.666 -37.843 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -15.054 -0.706 -37.027 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -16.489 -1.473 -37.718 1.00 1.00 H new ATOM 1397 N SER A 94 -7.696 -2.942 -35.727 1.00 1.00 N ATOM 1398 CA SER A 94 -7.029 -1.797 -36.386 1.00 1.00 C ATOM 1399 C SER A 94 -5.551 -1.566 -36.009 1.00 1.00 C ATOM 1400 O SER A 94 -5.043 -0.450 -36.138 1.00 1.00 O ATOM 1401 CB SER A 94 -7.872 -0.536 -36.148 1.00 1.00 C ATOM 1402 OG SER A 94 -7.922 -0.221 -34.767 1.00 1.00 O ATOM 0 H SER A 94 -7.377 -3.104 -34.772 1.00 1.00 H new ATOM 0 HA SER A 94 -6.977 -2.045 -37.446 1.00 1.00 H new ATOM 0 HB2 SER A 94 -7.448 0.301 -36.702 1.00 1.00 H new ATOM 0 HB3 SER A 94 -8.882 -0.690 -36.528 1.00 1.00 H new ATOM 0 HG SER A 94 -8.593 -0.784 -34.327 1.00 1.00 H new ATOM 1408 N LYS A 95 -4.834 -2.602 -35.548 1.00 1.00 N ATOM 1409 CA LYS A 95 -3.408 -2.512 -35.141 1.00 1.00 C ATOM 1410 C LYS A 95 -2.476 -3.561 -35.760 1.00 1.00 C ATOM 1411 O LYS A 95 -1.259 -3.377 -35.734 1.00 1.00 O ATOM 1412 CB LYS A 95 -3.315 -2.578 -33.607 1.00 1.00 C ATOM 1413 CG LYS A 95 -3.950 -1.384 -32.875 1.00 1.00 C ATOM 1414 CD LYS A 95 -3.272 -0.019 -33.096 1.00 1.00 C ATOM 1415 CE LYS A 95 -1.835 0.079 -32.562 1.00 1.00 C ATOM 1416 NZ LYS A 95 -1.758 -0.181 -31.100 1.00 1.00 N ATOM 0 H LYS A 95 -5.224 -3.539 -35.443 1.00 1.00 H new ATOM 0 HA LYS A 95 -3.054 -1.557 -35.529 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -3.797 -3.494 -33.266 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -2.265 -2.645 -33.322 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -4.992 -1.305 -33.186 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -3.952 -1.598 -31.806 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -3.264 0.198 -34.164 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -3.876 0.753 -32.618 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -1.204 -0.636 -33.090 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -1.438 1.072 -32.774 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -1.020 0.419 -30.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -2.675 0.037 -30.660 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -1.525 -1.181 -30.937 1.00 1.00 H new ATOM 1430 N CYS A 96 -3.020 -4.632 -36.333 1.00 1.00 N ATOM 1431 CA CYS A 96 -2.268 -5.717 -36.970 1.00 1.00 C ATOM 1432 C CYS A 96 -3.012 -6.287 -38.191 1.00 1.00 C ATOM 1433 O CYS A 96 -4.234 -6.166 -38.305 1.00 1.00 O ATOM 1434 CB CYS A 96 -1.985 -6.781 -35.893 1.00 1.00 C ATOM 1435 SG CYS A 96 -0.931 -8.133 -36.503 1.00 1.00 S ATOM 0 H CYS A 96 -4.029 -4.776 -36.369 1.00 1.00 H new ATOM 0 HA CYS A 96 -1.323 -5.344 -37.366 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -1.503 -6.307 -35.038 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -2.930 -7.194 -35.538 1.00 1.00 H new ATOM 0 HG CYS A 96 -0.197 -7.702 -37.486 1.00 1.00 H new ATOM 1441 N CYS A 97 -2.271 -6.912 -39.106 1.00 1.00 N ATOM 1442 CA CYS A 97 -2.781 -7.525 -40.327 1.00 1.00 C ATOM 1443 C CYS A 97 -2.057 -8.855 -40.619 1.00 1.00 C ATOM 1444 O CYS A 97 -1.065 -8.864 -41.356 1.00 1.00 O ATOM 1445 CB CYS A 97 -2.594 -6.517 -41.470 1.00 1.00 C ATOM 1446 SG CYS A 97 -3.153 -7.107 -43.082 1.00 1.00 S ATOM 0 H CYS A 97 -1.260 -7.007 -39.011 1.00 1.00 H new ATOM 0 HA CYS A 97 -3.838 -7.766 -40.219 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -3.134 -5.603 -41.224 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -1.538 -6.255 -41.538 1.00 1.00 H new ATOM 1451 N PRO A 98 -2.529 -10.000 -40.085 1.00 1.00 N ATOM 1452 CA PRO A 98 -1.937 -11.322 -40.341 1.00 1.00 C ATOM 1453 C PRO A 98 -1.908 -11.717 -41.829 1.00 1.00 C ATOM 1454 O PRO A 98 -1.022 -12.459 -42.254 1.00 1.00 O ATOM 1455 CB PRO A 98 -2.780 -12.318 -39.532 1.00 1.00 C ATOM 1456 CG PRO A 98 -3.450 -11.458 -38.462 1.00 1.00 C ATOM 1457 CD PRO A 98 -3.658 -10.123 -39.173 1.00 1.00 C ATOM 0 HA PRO A 98 -0.889 -11.315 -40.043 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -3.517 -12.818 -40.160 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -2.160 -13.096 -39.087 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -4.394 -11.890 -38.130 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -2.821 -11.351 -37.578 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -4.605 -10.107 -39.713 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -3.683 -9.297 -38.462 1.00 1.00 H new ATOM 1465 N VAL A 99 -2.842 -11.188 -42.635 1.00 1.00 N ATOM 1466 CA VAL A 99 -2.943 -11.393 -44.099 1.00 1.00 C ATOM 1467 C VAL A 99 -1.670 -10.942 -44.835 1.00 1.00 C ATOM 1468 O VAL A 99 -1.326 -11.491 -45.882 1.00 1.00 O ATOM 1469 CB VAL A 99 -4.179 -10.646 -44.652 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -4.337 -10.752 -46.172 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -5.475 -11.181 -44.024 1.00 1.00 C ATOM 0 H VAL A 99 -3.579 -10.581 -42.276 1.00 1.00 H new ATOM 0 HA VAL A 99 -3.056 -12.462 -44.277 1.00 1.00 H new ATOM 0 HB VAL A 99 -4.008 -9.602 -44.390 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -5.225 -10.203 -46.485 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -3.459 -10.329 -46.659 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -4.439 -11.800 -46.455 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -6.328 -10.638 -44.431 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -5.579 -12.242 -44.251 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -5.439 -11.043 -42.943 1.00 1.00 H new ATOM 1481 N CYS A 100 -0.954 -9.968 -44.268 1.00 1.00 N ATOM 1482 CA CYS A 100 0.294 -9.400 -44.790 1.00 1.00 C ATOM 1483 C CYS A 100 1.486 -9.532 -43.815 1.00 1.00 C ATOM 1484 O CYS A 100 2.626 -9.230 -44.165 1.00 1.00 O ATOM 1485 CB CYS A 100 0.022 -7.926 -45.083 1.00 1.00 C ATOM 1486 SG CYS A 100 -1.284 -7.620 -46.305 1.00 1.00 S ATOM 0 H CYS A 100 -1.241 -9.533 -43.391 1.00 1.00 H new ATOM 0 HA CYS A 100 0.583 -9.954 -45.683 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -0.248 -7.429 -44.151 1.00 1.00 H new ATOM 0 HB3 CYS A 100 0.944 -7.464 -45.435 1.00 1.00 H new ATOM 1491 N ASN A 101 1.197 -9.966 -42.587 1.00 1.00 N ATOM 1492 CA ASN A 101 2.087 -10.127 -41.435 1.00 1.00 C ATOM 1493 C ASN A 101 2.774 -8.795 -41.056 1.00 1.00 C ATOM 1494 O ASN A 101 4.003 -8.677 -41.046 1.00 1.00 O ATOM 1495 CB ASN A 101 3.013 -11.342 -41.657 1.00 1.00 C ATOM 1496 CG ASN A 101 3.631 -11.867 -40.368 1.00 1.00 C ATOM 1497 OD1 ASN A 101 3.254 -12.909 -39.850 1.00 1.00 O ATOM 1498 ND2 ASN A 101 4.582 -11.165 -39.796 1.00 1.00 N ATOM 0 H ASN A 101 0.243 -10.240 -42.351 1.00 1.00 H new ATOM 0 HA ASN A 101 1.516 -10.368 -40.539 1.00 1.00 H new ATOM 0 HB2 ASN A 101 2.445 -12.142 -42.132 1.00 1.00 H new ATOM 0 HB3 ASN A 101 3.809 -11.063 -42.347 1.00 1.00 H new ATOM 0 HD21 ASN A 101 5.002 -11.490 -38.925 1.00 1.00 H new ATOM 0 HD22 ASN A 101 4.901 -10.295 -40.223 1.00 1.00 H new ATOM 1505 N MET A 102 1.952 -7.781 -40.764 1.00 1.00 N ATOM 1506 CA MET A 102 2.377 -6.417 -40.403 1.00 1.00 C ATOM 1507 C MET A 102 1.577 -5.831 -39.226 1.00 1.00 C ATOM 1508 O MET A 102 0.539 -6.365 -38.830 1.00 1.00 O ATOM 1509 CB MET A 102 2.240 -5.482 -41.623 1.00 1.00 C ATOM 1510 CG MET A 102 3.084 -5.911 -42.829 1.00 1.00 C ATOM 1511 SD MET A 102 3.302 -4.640 -44.108 1.00 1.00 S ATOM 1512 CE MET A 102 1.580 -4.290 -44.561 1.00 1.00 C ATOM 0 H MET A 102 0.938 -7.887 -40.772 1.00 1.00 H new ATOM 0 HA MET A 102 3.418 -6.488 -40.089 1.00 1.00 H new ATOM 0 HB2 MET A 102 1.192 -5.440 -41.921 1.00 1.00 H new ATOM 0 HB3 MET A 102 2.529 -4.473 -41.330 1.00 1.00 H new ATOM 0 HG2 MET A 102 4.067 -6.219 -42.474 1.00 1.00 H new ATOM 0 HG3 MET A 102 2.621 -6.787 -43.284 1.00 1.00 H new ATOM 0 HE1 MET A 102 1.559 -3.649 -45.443 1.00 1.00 H new ATOM 0 HE2 MET A 102 1.064 -5.225 -44.779 1.00 1.00 H new ATOM 0 HE3 MET A 102 1.082 -3.785 -43.734 1.00 1.00 H new ATOM 1522 N THR A 103 2.045 -4.698 -38.694 1.00 1.00 N ATOM 1523 CA THR A 103 1.417 -3.910 -37.614 1.00 1.00 C ATOM 1524 C THR A 103 1.365 -2.422 -37.984 1.00 1.00 C ATOM 1525 O THR A 103 2.095 -1.975 -38.875 1.00 1.00 O ATOM 1526 CB THR A 103 2.126 -4.096 -36.260 1.00 1.00 C ATOM 1527 OG1 THR A 103 3.513 -3.838 -36.359 1.00 1.00 O ATOM 1528 CG2 THR A 103 1.945 -5.505 -35.696 1.00 1.00 C ATOM 0 H THR A 103 2.917 -4.279 -39.017 1.00 1.00 H new ATOM 0 HA THR A 103 0.400 -4.287 -37.503 1.00 1.00 H new ATOM 0 HB THR A 103 1.659 -3.378 -35.586 1.00 1.00 H new ATOM 0 HG1 THR A 103 3.932 -3.963 -35.482 1.00 1.00 H new ATOM 0 HG21 THR A 103 2.464 -5.584 -34.741 1.00 1.00 H new ATOM 0 HG22 THR A 103 0.883 -5.705 -35.550 1.00 1.00 H new ATOM 0 HG23 THR A 103 2.358 -6.232 -36.395 1.00 1.00 H new ATOM 1536 N PHE A 104 0.503 -1.647 -37.315 1.00 1.00 N ATOM 1537 CA PHE A 104 0.304 -0.214 -37.586 1.00 1.00 C ATOM 1538 C PHE A 104 0.349 0.641 -36.310 1.00 1.00 C ATOM 1539 O PHE A 104 -0.153 0.243 -35.257 1.00 1.00 O ATOM 1540 CB PHE A 104 -1.029 0.001 -38.330 1.00 1.00 C ATOM 1541 CG PHE A 104 -1.332 -1.013 -39.420 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -0.654 -0.960 -40.653 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -2.280 -2.029 -39.192 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -0.931 -1.911 -41.652 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -2.564 -2.972 -40.192 1.00 1.00 C ATOM 1546 CZ PHE A 104 -1.886 -2.916 -41.422 1.00 1.00 C ATOM 0 H PHE A 104 -0.085 -2.000 -36.560 1.00 1.00 H new ATOM 0 HA PHE A 104 1.132 0.114 -38.215 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -1.840 -0.018 -37.602 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -1.023 0.997 -38.774 1.00 1.00 H new ATOM 0 HD1 PHE A 104 0.080 -0.188 -40.832 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -2.791 -2.083 -38.242 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -0.409 -1.869 -42.597 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -3.303 -3.740 -40.017 1.00 1.00 H new ATOM 0 HZ PHE A 104 -2.099 -3.645 -42.190 1.00 1.00 H new ATOM 1556 N SER A 105 0.934 1.836 -36.415 1.00 1.00 N ATOM 1557 CA SER A 105 1.066 2.818 -35.323 1.00 1.00 C ATOM 1558 C SER A 105 -0.202 3.651 -35.061 1.00 1.00 C ATOM 1559 O SER A 105 -0.280 4.355 -34.051 1.00 1.00 O ATOM 1560 CB SER A 105 2.233 3.762 -35.641 1.00 1.00 C ATOM 1561 OG SER A 105 2.040 4.384 -36.905 1.00 1.00 O ATOM 0 H SER A 105 1.344 2.163 -37.290 1.00 1.00 H new ATOM 0 HA SER A 105 1.244 2.244 -34.413 1.00 1.00 H new ATOM 0 HB2 SER A 105 2.316 4.522 -34.864 1.00 1.00 H new ATOM 0 HB3 SER A 105 3.170 3.204 -35.643 1.00 1.00 H new ATOM 0 HG SER A 105 2.792 4.984 -37.092 1.00 1.00 H new ATOM 1567 N SER A 106 -1.197 3.579 -35.952 1.00 1.00 N ATOM 1568 CA SER A 106 -2.467 4.316 -35.877 1.00 1.00 C ATOM 1569 C SER A 106 -3.600 3.538 -36.565 1.00 1.00 C ATOM 1570 O SER A 106 -3.355 2.887 -37.589 1.00 1.00 O ATOM 1571 CB SER A 106 -2.280 5.678 -36.562 1.00 1.00 C ATOM 1572 OG SER A 106 -3.518 6.307 -36.863 1.00 1.00 O ATOM 0 H SER A 106 -1.139 2.983 -36.778 1.00 1.00 H new ATOM 0 HA SER A 106 -2.742 4.450 -34.831 1.00 1.00 H new ATOM 0 HB2 SER A 106 -1.692 6.329 -35.915 1.00 1.00 H new ATOM 0 HB3 SER A 106 -1.710 5.544 -37.482 1.00 1.00 H new ATOM 0 HG SER A 106 -3.350 7.170 -37.296 1.00 1.00 H new ATOM 1578 N PRO A 107 -4.849 3.616 -36.060 1.00 1.00 N ATOM 1579 CA PRO A 107 -5.996 2.953 -36.679 1.00 1.00 C ATOM 1580 C PRO A 107 -6.317 3.513 -38.072 1.00 1.00 C ATOM 1581 O PRO A 107 -6.845 2.787 -38.914 1.00 1.00 O ATOM 1582 CB PRO A 107 -7.156 3.146 -35.697 1.00 1.00 C ATOM 1583 CG PRO A 107 -6.799 4.434 -34.961 1.00 1.00 C ATOM 1584 CD PRO A 107 -5.276 4.358 -34.879 1.00 1.00 C ATOM 0 HA PRO A 107 -5.793 1.897 -36.855 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -8.110 3.234 -36.217 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -7.243 2.304 -35.010 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -7.132 5.318 -35.505 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -7.257 4.477 -33.973 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -4.835 5.355 -34.864 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.959 3.855 -33.966 1.00 1.00 H new ATOM 1592 N VAL A 108 -5.965 4.775 -38.354 1.00 1.00 N ATOM 1593 CA VAL A 108 -6.171 5.401 -39.674 1.00 1.00 C ATOM 1594 C VAL A 108 -5.294 4.720 -40.733 1.00 1.00 C ATOM 1595 O VAL A 108 -5.751 4.461 -41.849 1.00 1.00 O ATOM 1596 CB VAL A 108 -5.887 6.918 -39.628 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -6.274 7.595 -40.948 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -6.676 7.611 -38.506 1.00 1.00 C ATOM 0 H VAL A 108 -5.528 5.395 -37.673 1.00 1.00 H new ATOM 0 HA VAL A 108 -7.218 5.267 -39.948 1.00 1.00 H new ATOM 0 HB VAL A 108 -4.817 7.019 -39.447 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -6.063 8.662 -40.885 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -5.698 7.158 -41.764 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -7.337 7.446 -41.135 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -6.449 8.677 -38.506 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -7.744 7.467 -38.670 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -6.395 7.181 -37.545 1.00 1.00 H new ATOM 1608 N VAL A 109 -4.053 4.370 -40.374 1.00 1.00 N ATOM 1609 CA VAL A 109 -3.119 3.642 -41.253 1.00 1.00 C ATOM 1610 C VAL A 109 -3.666 2.244 -41.551 1.00 1.00 C ATOM 1611 O VAL A 109 -3.668 1.821 -42.707 1.00 1.00 O ATOM 1612 CB VAL A 109 -1.708 3.558 -40.632 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -0.722 2.806 -41.536 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -1.125 4.958 -40.396 1.00 1.00 C ATOM 0 H VAL A 109 -3.662 4.585 -39.457 1.00 1.00 H new ATOM 0 HA VAL A 109 -3.030 4.194 -42.189 1.00 1.00 H new ATOM 0 HB VAL A 109 -1.830 3.022 -39.691 1.00 1.00 H new ATOM 0 HG11 VAL A 109 0.257 2.772 -41.058 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -1.081 1.790 -41.700 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -0.641 3.321 -42.493 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -0.131 4.869 -39.958 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -1.057 5.489 -41.346 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -1.773 5.512 -39.716 1.00 1.00 H new ATOM 1624 N ALA A 110 -4.182 1.547 -40.533 1.00 1.00 N ATOM 1625 CA ALA A 110 -4.791 0.227 -40.688 1.00 1.00 C ATOM 1626 C ALA A 110 -6.018 0.271 -41.619 1.00 1.00 C ATOM 1627 O ALA A 110 -6.093 -0.492 -42.581 1.00 1.00 O ATOM 1628 CB ALA A 110 -5.159 -0.301 -39.300 1.00 1.00 C ATOM 0 H ALA A 110 -4.187 1.888 -39.572 1.00 1.00 H new ATOM 0 HA ALA A 110 -4.077 -0.448 -41.159 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -5.615 -1.286 -39.395 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -4.260 -0.375 -38.689 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -5.865 0.382 -38.826 1.00 1.00 H new ATOM 1634 N GLU A 111 -6.952 1.200 -41.380 1.00 1.00 N ATOM 1635 CA GLU A 111 -8.155 1.383 -42.206 1.00 1.00 C ATOM 1636 C GLU A 111 -7.800 1.684 -43.670 1.00 1.00 C ATOM 1637 O GLU A 111 -8.403 1.110 -44.578 1.00 1.00 O ATOM 1638 CB GLU A 111 -9.018 2.521 -41.635 1.00 1.00 C ATOM 1639 CG GLU A 111 -9.806 2.126 -40.379 1.00 1.00 C ATOM 1640 CD GLU A 111 -11.022 1.244 -40.728 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -12.115 1.797 -41.004 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -10.893 -0.004 -40.735 1.00 1.00 O ATOM 0 H GLU A 111 -6.894 1.854 -40.599 1.00 1.00 H new ATOM 0 HA GLU A 111 -8.717 0.449 -42.183 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -8.375 3.369 -41.398 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -9.717 2.855 -42.402 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -9.152 1.590 -39.692 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -10.143 3.025 -39.862 1.00 1.00 H new ATOM 1649 N SER A 112 -6.796 2.537 -43.906 1.00 1.00 N ATOM 1650 CA SER A 112 -6.299 2.854 -45.252 1.00 1.00 C ATOM 1651 C SER A 112 -5.671 1.620 -45.920 1.00 1.00 C ATOM 1652 O SER A 112 -5.943 1.332 -47.089 1.00 1.00 O ATOM 1653 CB SER A 112 -5.281 3.996 -45.159 1.00 1.00 C ATOM 1654 OG SER A 112 -4.877 4.414 -46.453 1.00 1.00 O ATOM 0 H SER A 112 -6.301 3.031 -43.163 1.00 1.00 H new ATOM 0 HA SER A 112 -7.139 3.167 -45.872 1.00 1.00 H new ATOM 0 HB2 SER A 112 -5.718 4.836 -44.620 1.00 1.00 H new ATOM 0 HB3 SER A 112 -4.411 3.669 -44.589 1.00 1.00 H new ATOM 0 HG SER A 112 -4.228 5.144 -46.373 1.00 1.00 H new ATOM 1660 N HIS A 113 -4.869 0.849 -45.175 1.00 1.00 N ATOM 1661 CA HIS A 113 -4.223 -0.371 -45.662 1.00 1.00 C ATOM 1662 C HIS A 113 -5.232 -1.453 -46.088 1.00 1.00 C ATOM 1663 O HIS A 113 -5.106 -1.987 -47.191 1.00 1.00 O ATOM 1664 CB HIS A 113 -3.259 -0.905 -44.590 1.00 1.00 C ATOM 1665 CG HIS A 113 -2.647 -2.226 -44.978 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -1.544 -2.412 -45.780 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -3.170 -3.463 -44.711 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -1.411 -3.731 -46.000 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -2.377 -4.413 -45.362 1.00 1.00 N ATOM 0 H HIS A 113 -4.649 1.061 -44.202 1.00 1.00 H new ATOM 0 HA HIS A 113 -3.663 -0.112 -46.561 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -2.467 -0.176 -44.421 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -3.794 -1.018 -43.647 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -0.935 -1.678 -46.143 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -4.040 -3.668 -44.105 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -0.637 -4.180 -46.605 1.00 1.00 H new ATOM 1677 N TYR A 114 -6.238 -1.767 -45.259 1.00 1.00 N ATOM 1678 CA TYR A 114 -7.250 -2.802 -45.546 1.00 1.00 C ATOM 1679 C TYR A 114 -8.038 -2.599 -46.861 1.00 1.00 C ATOM 1680 O TYR A 114 -8.641 -3.552 -47.361 1.00 1.00 O ATOM 1681 CB TYR A 114 -8.235 -2.935 -44.371 1.00 1.00 C ATOM 1682 CG TYR A 114 -7.656 -3.287 -43.006 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -6.688 -4.304 -42.859 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -8.140 -2.622 -41.862 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -6.181 -4.625 -41.582 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -7.624 -2.926 -40.590 1.00 1.00 C ATOM 1687 CZ TYR A 114 -6.639 -3.923 -40.441 1.00 1.00 C ATOM 1688 OH TYR A 114 -6.153 -4.200 -39.198 1.00 1.00 O ATOM 0 H TYR A 114 -6.376 -1.306 -44.360 1.00 1.00 H new ATOM 0 HA TYR A 114 -6.679 -3.721 -45.679 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -8.774 -1.992 -44.275 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -8.969 -3.697 -44.632 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -6.334 -4.839 -43.728 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -8.912 -1.874 -41.963 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -5.443 -5.406 -41.475 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -7.984 -2.393 -39.723 1.00 1.00 H new ATOM 0 HH TYR A 114 -5.512 -4.939 -39.255 1.00 1.00 H new ATOM 1698 N ILE A 115 -8.023 -1.389 -47.437 1.00 1.00 N ATOM 1699 CA ILE A 115 -8.700 -1.044 -48.702 1.00 1.00 C ATOM 1700 C ILE A 115 -7.724 -0.693 -49.846 1.00 1.00 C ATOM 1701 O ILE A 115 -8.161 -0.334 -50.943 1.00 1.00 O ATOM 1702 CB ILE A 115 -9.784 0.021 -48.489 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -9.198 1.407 -48.162 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -10.803 -0.442 -47.429 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -10.244 2.477 -48.444 1.00 1.00 C ATOM 0 H ILE A 115 -7.526 -0.598 -47.027 1.00 1.00 H new ATOM 0 HA ILE A 115 -9.206 -1.949 -49.038 1.00 1.00 H new ATOM 0 HB ILE A 115 -10.313 0.138 -49.435 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -8.893 1.448 -47.116 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -8.306 1.588 -48.762 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -11.563 0.328 -47.294 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -11.278 -1.366 -47.760 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -10.290 -0.616 -46.483 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -9.831 3.459 -48.213 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -10.527 2.441 -49.496 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -11.123 2.298 -47.825 1.00 1.00 H new ATOM 1717 N GLY A 116 -6.411 -0.806 -49.614 1.00 1.00 N ATOM 1718 CA GLY A 116 -5.363 -0.512 -50.598 1.00 1.00 C ATOM 1719 C GLY A 116 -4.929 -1.736 -51.413 1.00 1.00 C ATOM 1720 O GLY A 116 -5.094 -2.886 -50.992 1.00 1.00 O ATOM 0 H GLY A 116 -6.039 -1.112 -48.715 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -5.721 0.260 -51.279 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -4.495 -0.103 -50.081 1.00 1.00 H new ATOM 1724 N LYS A 117 -4.344 -1.495 -52.594 1.00 1.00 N ATOM 1725 CA LYS A 117 -3.879 -2.550 -53.517 1.00 1.00 C ATOM 1726 C LYS A 117 -2.825 -3.480 -52.906 1.00 1.00 C ATOM 1727 O LYS A 117 -2.794 -4.659 -53.249 1.00 1.00 O ATOM 1728 CB LYS A 117 -3.362 -1.926 -54.830 1.00 1.00 C ATOM 1729 CG LYS A 117 -4.371 -1.021 -55.569 1.00 1.00 C ATOM 1730 CD LYS A 117 -5.724 -1.667 -55.913 1.00 1.00 C ATOM 1731 CE LYS A 117 -5.596 -2.842 -56.893 1.00 1.00 C ATOM 1732 NZ LYS A 117 -5.323 -2.390 -58.285 1.00 1.00 N ATOM 0 H LYS A 117 -4.176 -0.552 -52.944 1.00 1.00 H new ATOM 0 HA LYS A 117 -4.745 -3.177 -53.728 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -2.469 -1.342 -54.609 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -3.060 -2.730 -55.501 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -4.556 -0.139 -54.955 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -3.910 -0.675 -56.494 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -6.197 -2.016 -54.995 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -6.382 -0.912 -56.344 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -4.793 -3.501 -56.563 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -6.515 -3.427 -56.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -5.245 -3.218 -58.910 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -6.101 -1.782 -58.611 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -4.432 -1.854 -58.307 1.00 1.00 H new ATOM 1746 N THR A 118 -1.995 -2.991 -51.981 1.00 1.00 N ATOM 1747 CA THR A 118 -0.970 -3.791 -51.276 1.00 1.00 C ATOM 1748 C THR A 118 -1.599 -4.958 -50.505 1.00 1.00 C ATOM 1749 O THR A 118 -1.104 -6.085 -50.568 1.00 1.00 O ATOM 1750 CB THR A 118 -0.159 -2.908 -50.310 1.00 1.00 C ATOM 1751 OG1 THR A 118 0.322 -1.774 -51.003 1.00 1.00 O ATOM 1752 CG2 THR A 118 1.054 -3.631 -49.721 1.00 1.00 C ATOM 0 H THR A 118 -2.010 -2.013 -51.691 1.00 1.00 H new ATOM 0 HA THR A 118 -0.302 -4.201 -52.034 1.00 1.00 H new ATOM 0 HB THR A 118 -0.832 -2.637 -49.497 1.00 1.00 H new ATOM 0 HG1 THR A 118 0.837 -1.210 -50.389 1.00 1.00 H new ATOM 0 HG21 THR A 118 1.587 -2.959 -49.048 1.00 1.00 H new ATOM 0 HG22 THR A 118 0.721 -4.509 -49.168 1.00 1.00 H new ATOM 0 HG23 THR A 118 1.720 -3.940 -50.527 1.00 1.00 H new ATOM 1760 N HIS A 119 -2.723 -4.717 -49.822 1.00 1.00 N ATOM 1761 CA HIS A 119 -3.468 -5.752 -49.096 1.00 1.00 C ATOM 1762 C HIS A 119 -4.049 -6.789 -50.062 1.00 1.00 C ATOM 1763 O HIS A 119 -3.922 -7.992 -49.839 1.00 1.00 O ATOM 1764 CB HIS A 119 -4.568 -5.075 -48.269 1.00 1.00 C ATOM 1765 CG HIS A 119 -5.306 -6.015 -47.353 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -4.783 -6.573 -46.185 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -6.604 -6.414 -47.493 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -5.781 -7.288 -45.641 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -6.884 -7.218 -46.409 1.00 1.00 N ATOM 0 H HIS A 119 -3.145 -3.791 -49.757 1.00 1.00 H new ATOM 0 HA HIS A 119 -2.796 -6.288 -48.427 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -4.123 -4.277 -47.674 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -5.282 -4.607 -48.946 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -7.278 -6.152 -48.295 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -5.709 -7.842 -44.717 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -7.774 -7.680 -46.221 1.00 1.00 H new ATOM 1777 N ILE A 120 -4.632 -6.326 -51.175 1.00 1.00 N ATOM 1778 CA ILE A 120 -5.208 -7.170 -52.237 1.00 1.00 C ATOM 1779 C ILE A 120 -4.133 -8.047 -52.903 1.00 1.00 C ATOM 1780 O ILE A 120 -4.355 -9.239 -53.121 1.00 1.00 O ATOM 1781 CB ILE A 120 -6.013 -6.305 -53.235 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -7.160 -5.602 -52.467 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -6.575 -7.157 -54.388 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -8.049 -4.691 -53.321 1.00 1.00 C ATOM 0 H ILE A 120 -4.720 -5.329 -51.370 1.00 1.00 H new ATOM 0 HA ILE A 120 -5.916 -7.869 -51.792 1.00 1.00 H new ATOM 0 HB ILE A 120 -5.352 -5.560 -53.678 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -7.786 -6.364 -52.003 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -6.727 -5.010 -51.661 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -7.135 -6.520 -55.072 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -5.753 -7.630 -54.925 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -7.235 -7.925 -53.985 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -8.821 -4.245 -52.694 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -7.442 -3.902 -53.765 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -8.517 -5.277 -54.112 1.00 1.00 H new ATOM 1796 N LYS A 121 -2.939 -7.503 -53.173 1.00 1.00 N ATOM 1797 CA LYS A 121 -1.793 -8.251 -53.725 1.00 1.00 C ATOM 1798 C LYS A 121 -1.377 -9.400 -52.800 1.00 1.00 C ATOM 1799 O LYS A 121 -1.093 -10.503 -53.266 1.00 1.00 O ATOM 1800 CB LYS A 121 -0.637 -7.270 -53.995 1.00 1.00 C ATOM 1801 CG LYS A 121 0.569 -7.952 -54.667 1.00 1.00 C ATOM 1802 CD LYS A 121 1.654 -6.959 -55.109 1.00 1.00 C ATOM 1803 CE LYS A 121 2.311 -6.239 -53.923 1.00 1.00 C ATOM 1804 NZ LYS A 121 3.409 -5.342 -54.370 1.00 1.00 N ATOM 0 H LYS A 121 -2.735 -6.516 -53.013 1.00 1.00 H new ATOM 0 HA LYS A 121 -2.082 -8.715 -54.668 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -0.993 -6.460 -54.631 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -0.319 -6.821 -53.054 1.00 1.00 H new ATOM 0 HG2 LYS A 121 1.004 -8.672 -53.974 1.00 1.00 H new ATOM 0 HG3 LYS A 121 0.224 -8.514 -55.535 1.00 1.00 H new ATOM 0 HD2 LYS A 121 2.419 -7.490 -55.676 1.00 1.00 H new ATOM 0 HD3 LYS A 121 1.215 -6.221 -55.780 1.00 1.00 H new ATOM 0 HE2 LYS A 121 1.560 -5.658 -53.388 1.00 1.00 H new ATOM 0 HE3 LYS A 121 2.704 -6.975 -53.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 3.831 -4.872 -53.544 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 4.137 -5.901 -54.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 3.029 -4.625 -55.020 1.00 1.00 H new ATOM 1818 N ASN A 122 -1.396 -9.172 -51.485 1.00 1.00 N ATOM 1819 CA ASN A 122 -1.092 -10.200 -50.485 1.00 1.00 C ATOM 1820 C ASN A 122 -2.124 -11.351 -50.480 1.00 1.00 C ATOM 1821 O ASN A 122 -1.743 -12.484 -50.185 1.00 1.00 O ATOM 1822 CB ASN A 122 -0.905 -9.544 -49.108 1.00 1.00 C ATOM 1823 CG ASN A 122 0.509 -9.015 -48.919 1.00 1.00 C ATOM 1824 OD1 ASN A 122 1.392 -9.706 -48.432 1.00 1.00 O ATOM 1825 ND2 ASN A 122 0.788 -7.793 -49.308 1.00 1.00 N ATOM 0 H ASN A 122 -1.624 -8.264 -51.081 1.00 1.00 H new ATOM 0 HA ASN A 122 -0.151 -10.679 -50.756 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -1.617 -8.726 -48.996 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -1.128 -10.270 -48.327 1.00 1.00 H new ATOM 0 HD21 ASN A 122 1.735 -7.428 -49.203 1.00 1.00 H new ATOM 0 HD22 ASN A 122 0.058 -7.208 -49.716 1.00 1.00 H new ATOM 1832 N LEU A 123 -3.389 -11.115 -50.873 1.00 1.00 N ATOM 1833 CA LEU A 123 -4.399 -12.183 -51.014 1.00 1.00 C ATOM 1834 C LEU A 123 -3.943 -13.191 -52.084 1.00 1.00 C ATOM 1835 O LEU A 123 -3.958 -14.403 -51.859 1.00 1.00 O ATOM 1836 CB LEU A 123 -5.787 -11.628 -51.411 1.00 1.00 C ATOM 1837 CG LEU A 123 -6.338 -10.448 -50.597 1.00 1.00 C ATOM 1838 CD1 LEU A 123 -7.671 -9.983 -51.187 1.00 1.00 C ATOM 1839 CD2 LEU A 123 -6.558 -10.763 -49.124 1.00 1.00 C ATOM 0 H LEU A 123 -3.740 -10.185 -51.101 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.493 -12.668 -50.042 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -5.741 -11.323 -52.456 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -6.506 -12.445 -51.349 1.00 1.00 H new ATOM 0 HG LEU A 123 -5.577 -9.670 -50.657 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -8.055 -9.146 -50.604 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -7.522 -9.668 -52.220 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -8.388 -10.804 -51.159 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -6.948 -9.880 -48.617 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -7.272 -11.581 -49.030 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.611 -11.054 -48.669 1.00 1.00 H new ATOM 1851 N ARG A 124 -3.484 -12.680 -53.239 1.00 1.00 N ATOM 1852 CA ARG A 124 -2.946 -13.488 -54.348 1.00 1.00 C ATOM 1853 C ARG A 124 -1.661 -14.210 -53.938 1.00 1.00 C ATOM 1854 O ARG A 124 -1.451 -15.356 -54.331 1.00 1.00 O ATOM 1855 CB ARG A 124 -2.708 -12.624 -55.599 1.00 1.00 C ATOM 1856 CG ARG A 124 -3.995 -11.953 -56.111 1.00 1.00 C ATOM 1857 CD ARG A 124 -3.819 -11.359 -57.517 1.00 1.00 C ATOM 1858 NE ARG A 124 -2.799 -10.290 -57.563 1.00 1.00 N ATOM 1859 CZ ARG A 124 -2.992 -8.989 -57.431 1.00 1.00 C ATOM 1860 NH1 ARG A 124 -4.160 -8.481 -57.162 1.00 1.00 N ATOM 1861 NH2 ARG A 124 -1.997 -8.162 -57.568 1.00 1.00 N ATOM 0 H ARG A 124 -3.476 -11.678 -53.432 1.00 1.00 H new ATOM 0 HA ARG A 124 -3.692 -14.244 -54.594 1.00 1.00 H new ATOM 0 HB2 ARG A 124 -1.969 -11.856 -55.370 1.00 1.00 H new ATOM 0 HB3 ARG A 124 -2.288 -13.245 -56.390 1.00 1.00 H new ATOM 0 HG2 ARG A 124 -4.803 -12.684 -56.126 1.00 1.00 H new ATOM 0 HG3 ARG A 124 -4.292 -11.164 -55.420 1.00 1.00 H new ATOM 0 HD2 ARG A 124 -3.539 -12.153 -58.209 1.00 1.00 H new ATOM 0 HD3 ARG A 124 -4.773 -10.959 -57.860 1.00 1.00 H new ATOM 0 HE ARG A 124 -1.836 -10.591 -57.714 1.00 1.00 H new ATOM 0 HH11 ARG A 124 -4.968 -9.093 -57.045 1.00 1.00 H new ATOM 0 HH12 ARG A 124 -4.267 -7.471 -57.068 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -1.064 -8.517 -57.778 1.00 1.00 H new ATOM 0 HH22 ARG A 124 -2.150 -7.159 -57.465 1.00 1.00 H new ATOM 1875 N LEU A 125 -0.823 -13.570 -53.117 1.00 1.00 N ATOM 1876 CA LEU A 125 0.409 -14.164 -52.585 1.00 1.00 C ATOM 1877 C LEU A 125 0.081 -15.399 -51.718 1.00 1.00 C ATOM 1878 O LEU A 125 0.656 -16.467 -51.935 1.00 1.00 O ATOM 1879 CB LEU A 125 1.212 -13.086 -51.823 1.00 1.00 C ATOM 1880 CG LEU A 125 2.748 -13.177 -51.932 1.00 1.00 C ATOM 1881 CD1 LEU A 125 3.313 -14.570 -51.648 1.00 1.00 C ATOM 1882 CD2 LEU A 125 3.237 -12.737 -53.313 1.00 1.00 C ATOM 0 H LEU A 125 -0.982 -12.614 -52.799 1.00 1.00 H new ATOM 0 HA LEU A 125 1.037 -14.521 -53.401 1.00 1.00 H new ATOM 0 HB2 LEU A 125 0.900 -12.106 -52.186 1.00 1.00 H new ATOM 0 HB3 LEU A 125 0.940 -13.137 -50.769 1.00 1.00 H new ATOM 0 HG LEU A 125 3.115 -12.502 -51.159 1.00 1.00 H new ATOM 0 HD11 LEU A 125 4.398 -14.549 -51.745 1.00 1.00 H new ATOM 0 HD12 LEU A 125 3.045 -14.872 -50.635 1.00 1.00 H new ATOM 0 HD13 LEU A 125 2.898 -15.283 -52.361 1.00 1.00 H new ATOM 0 HD21 LEU A 125 4.323 -12.813 -53.356 1.00 1.00 H new ATOM 0 HD22 LEU A 125 2.798 -13.379 -54.076 1.00 1.00 H new ATOM 0 HD23 LEU A 125 2.939 -11.704 -53.493 1.00 1.00 H new ATOM 1894 N ARG A 126 -0.890 -15.290 -50.791 1.00 1.00 N ATOM 1895 CA ARG A 126 -1.386 -16.417 -49.972 1.00 1.00 C ATOM 1896 C ARG A 126 -1.987 -17.535 -50.836 1.00 1.00 C ATOM 1897 O ARG A 126 -1.721 -18.711 -50.587 1.00 1.00 O ATOM 1898 CB ARG A 126 -2.440 -15.923 -48.958 1.00 1.00 C ATOM 1899 CG ARG A 126 -1.916 -15.660 -47.538 1.00 1.00 C ATOM 1900 CD ARG A 126 -1.114 -14.369 -47.345 1.00 1.00 C ATOM 1901 NE ARG A 126 0.290 -14.483 -47.788 1.00 1.00 N ATOM 1902 CZ ARG A 126 1.151 -13.484 -47.853 1.00 1.00 C ATOM 1903 NH1 ARG A 126 0.820 -12.278 -47.506 1.00 1.00 N ATOM 1904 NH2 ARG A 126 2.370 -13.675 -48.265 1.00 1.00 N ATOM 0 H ARG A 126 -1.359 -14.407 -50.586 1.00 1.00 H new ATOM 0 HA ARG A 126 -0.529 -16.828 -49.439 1.00 1.00 H new ATOM 0 HB2 ARG A 126 -2.883 -15.003 -49.340 1.00 1.00 H new ATOM 0 HB3 ARG A 126 -3.239 -16.662 -48.901 1.00 1.00 H new ATOM 0 HG2 ARG A 126 -2.766 -15.641 -46.856 1.00 1.00 H new ATOM 0 HG3 ARG A 126 -1.289 -16.501 -47.242 1.00 1.00 H new ATOM 0 HD2 ARG A 126 -1.598 -13.563 -47.897 1.00 1.00 H new ATOM 0 HD3 ARG A 126 -1.134 -14.091 -46.291 1.00 1.00 H new ATOM 0 HE ARG A 126 0.621 -15.407 -48.066 1.00 1.00 H new ATOM 0 HH11 ARG A 126 -0.125 -12.084 -47.173 1.00 1.00 H new ATOM 0 HH12 ARG A 126 1.504 -11.524 -47.566 1.00 1.00 H new ATOM 0 HH21 ARG A 126 2.674 -14.608 -48.544 1.00 1.00 H new ATOM 0 HH22 ARG A 126 3.022 -12.892 -48.309 1.00 1.00 H new ATOM 1918 N GLU A 127 -2.787 -17.181 -51.844 1.00 1.00 N ATOM 1919 CA GLU A 127 -3.428 -18.134 -52.765 1.00 1.00 C ATOM 1920 C GLU A 127 -2.410 -18.900 -53.641 1.00 1.00 C ATOM 1921 O GLU A 127 -2.605 -20.082 -53.935 1.00 1.00 O ATOM 1922 CB GLU A 127 -4.448 -17.372 -53.630 1.00 1.00 C ATOM 1923 CG GLU A 127 -5.308 -18.293 -54.504 1.00 1.00 C ATOM 1924 CD GLU A 127 -6.410 -17.498 -55.229 1.00 1.00 C ATOM 1925 OE1 GLU A 127 -6.150 -16.949 -56.328 1.00 1.00 O ATOM 1926 OE2 GLU A 127 -7.553 -17.426 -54.712 1.00 1.00 O ATOM 0 H GLU A 127 -3.014 -16.208 -52.050 1.00 1.00 H new ATOM 0 HA GLU A 127 -3.936 -18.896 -52.173 1.00 1.00 H new ATOM 0 HB2 GLU A 127 -5.099 -16.786 -52.981 1.00 1.00 H new ATOM 0 HB3 GLU A 127 -3.917 -16.667 -54.270 1.00 1.00 H new ATOM 0 HG2 GLU A 127 -4.678 -18.798 -55.236 1.00 1.00 H new ATOM 0 HG3 GLU A 127 -5.761 -19.068 -53.885 1.00 1.00 H new ATOM 1933 N GLN A 128 -1.319 -18.238 -54.043 1.00 1.00 N ATOM 1934 CA GLN A 128 -0.244 -18.781 -54.874 1.00 1.00 C ATOM 1935 C GLN A 128 1.111 -18.188 -54.454 1.00 1.00 C ATOM 1936 O GLN A 128 2.130 -18.891 -54.426 1.00 1.00 O ATOM 1937 CB GLN A 128 -0.565 -18.474 -56.348 1.00 1.00 C ATOM 1938 CG GLN A 128 0.417 -19.148 -57.318 1.00 1.00 C ATOM 1939 CD GLN A 128 0.029 -18.947 -58.785 1.00 1.00 C ATOM 1940 OE1 GLN A 128 -0.312 -17.859 -59.233 1.00 1.00 O ATOM 1941 NE2 GLN A 128 0.067 -19.983 -59.599 1.00 1.00 N ATOM 0 H GLN A 128 -1.156 -17.265 -53.785 1.00 1.00 H new ATOM 0 HA GLN A 128 -0.174 -19.861 -54.743 1.00 1.00 H new ATOM 0 HB2 GLN A 128 -1.578 -18.807 -56.573 1.00 1.00 H new ATOM 0 HB3 GLN A 128 -0.542 -17.395 -56.504 1.00 1.00 H new ATOM 0 HG2 GLN A 128 1.417 -18.748 -57.153 1.00 1.00 H new ATOM 0 HG3 GLN A 128 0.461 -20.215 -57.101 1.00 1.00 H new ATOM 0 HE21 GLN A 128 0.348 -20.898 -59.247 1.00 1.00 H new ATOM 0 HE22 GLN A 128 -0.185 -19.870 -60.581 1.00 1.00 H new TER 1950 GLN A 128 HETATM 1951 ZN ZN A 129 -5.293 6.778 7.167 1.00 1.00 ZN HETATM 1952 ZN ZN A 130 -2.925 -6.416 -45.250 1.00 1.00 ZN