USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 THR OG1 : rot 177:sc= 1.22 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -147:sc= 1.22 (180deg=-0.901) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 TYR OH : rot 151:sc= -0.155 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.15 USER MOD Set 3.2: A 31 GLN : amide:sc= -0.831 K(o=-0.68,f=0.15) USER MOD Set 4.1: A 9 TYR OH : rot -49:sc= 0.00973 USER MOD Set 4.2: A 11 GLN : amide:sc= 0.598 K(o=0.61,f=-0.37) USER MOD Set 4.3: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 100:sc= 1.17 USER MOD Single : A 16 THR OG1 : rot 95:sc= -0.0853 USER MOD Single : A 17 SER OG : rot 135:sc= 1.29 USER MOD Single : A 20 ASN : amide:sc= -0.23 K(o=-0.23,f=-0.83) USER MOD Single : A 26 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 30 SER OG : rot -48:sc= 0.0619 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0.0365 (180deg=0.0365) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 1.32 (180deg=1.18) USER MOD Single : A 41 ASN : amide:sc= 0.286 X(o=0.29,f=-0.046) USER MOD Single : A 42 LYS NZ :NH3+ -120:sc= 0.792 (180deg=-0.744) USER MOD Single : A 44 TYR OH : rot 170:sc= 1.3 USER MOD Single : A 50 MET CE :methyl 165:sc= -0.494 (180deg=-1.24) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -112:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -140:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -125:sc= 0.00652 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.69 X(o=-2.7,f=-2.9) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.628 K(o=-0.63,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 179:sc= 0 (180deg=-0.00255) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc=-0.00973 (180deg=-0.156) USER MOD Single : A 98 MET CE :methyl 175:sc= -1.22 (180deg=-1.24) USER MOD Single : A 102 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0069 K(o=-0.0069,f=-1.4) USER MOD Single : A 105 SER OG : rot -104:sc= 0.0994 USER MOD Single : A 107 GLN : amide:sc= 0.947 K(o=0.95,f=-0.35) USER MOD Single : A 112 SER OG : rot -132:sc= 0.428 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0417 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 67:sc= 0.063 USER MOD Single : A 121 GLN : amide:sc= -1.2! C(o=-1.2!,f=-9!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.099 14.797 -6.931 1.00 0.00 N ATOM 2 CA GLY A 1 -21.733 15.857 -5.991 1.00 0.00 C ATOM 3 C GLY A 1 -20.483 15.499 -5.213 1.00 0.00 C ATOM 4 O GLY A 1 -19.377 15.569 -5.751 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.958 15.073 -7.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.322 14.648 -7.606 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.277 13.916 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.571 16.788 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.557 16.032 -5.299 1.00 0.00 H new ATOM 8 N ALA A 2 -20.634 15.189 -3.926 1.00 0.00 N ATOM 9 CA ALA A 2 -19.541 14.921 -2.996 1.00 0.00 C ATOM 10 C ALA A 2 -19.959 13.875 -1.958 1.00 0.00 C ATOM 11 O ALA A 2 -19.478 13.911 -0.824 1.00 0.00 O ATOM 12 CB ALA A 2 -19.116 16.237 -2.330 1.00 0.00 C ATOM 0 H ALA A 2 -21.552 15.115 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.689 14.511 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.300 16.045 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.784 16.941 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.962 16.661 -1.789 1.00 0.00 H new ATOM 18 N GLU A 3 -20.902 13.003 -2.316 1.00 0.00 N ATOM 19 CA GLU A 3 -21.455 11.973 -1.448 1.00 0.00 C ATOM 20 C GLU A 3 -20.392 10.904 -1.123 1.00 0.00 C ATOM 21 O GLU A 3 -19.218 11.038 -1.482 1.00 0.00 O ATOM 22 CB GLU A 3 -22.707 11.377 -2.131 1.00 0.00 C ATOM 23 CG GLU A 3 -23.878 11.182 -1.157 1.00 0.00 C ATOM 24 CD GLU A 3 -24.551 12.490 -0.712 1.00 0.00 C ATOM 25 OE1 GLU A 3 -24.278 13.576 -1.271 1.00 0.00 O ATOM 26 OE2 GLU A 3 -25.398 12.435 0.210 1.00 0.00 O ATOM 0 H GLU A 3 -21.313 12.997 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 3 -21.754 12.402 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -23.020 12.034 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -22.449 10.417 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -24.626 10.544 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -23.518 10.653 -0.275 1.00 0.00 H new ATOM 33 N ALA A 4 -20.793 9.822 -0.451 1.00 0.00 N ATOM 34 CA ALA A 4 -19.957 8.670 -0.127 1.00 0.00 C ATOM 35 C ALA A 4 -19.672 7.806 -1.368 1.00 0.00 C ATOM 36 O ALA A 4 -19.982 6.607 -1.387 1.00 0.00 O ATOM 37 CB ALA A 4 -20.638 7.865 0.986 1.00 0.00 C ATOM 0 H ALA A 4 -21.748 9.723 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 4 -18.986 9.017 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.024 7.001 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.759 8.494 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.616 7.527 0.644 1.00 0.00 H new ATOM 43 N LEU A 5 -19.083 8.415 -2.403 1.00 0.00 N ATOM 44 CA LEU A 5 -18.665 7.792 -3.655 1.00 0.00 C ATOM 45 C LEU A 5 -17.851 6.533 -3.362 1.00 0.00 C ATOM 46 O LEU A 5 -17.098 6.516 -2.387 1.00 0.00 O ATOM 47 CB LEU A 5 -17.780 8.742 -4.482 1.00 0.00 C ATOM 48 CG LEU A 5 -18.368 10.119 -4.808 1.00 0.00 C ATOM 49 CD1 LEU A 5 -17.333 10.986 -5.522 1.00 0.00 C ATOM 50 CD2 LEU A 5 -19.597 9.969 -5.701 1.00 0.00 C ATOM 0 H LEU A 5 -18.875 9.413 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.567 7.551 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.844 8.890 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.533 8.246 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.654 10.598 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.767 11.960 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.462 11.116 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.030 10.501 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.006 10.954 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.314 9.473 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.350 9.372 -5.186 1.00 0.00 H new ATOM 62 N PRO A 6 -17.945 5.493 -4.198 1.00 0.00 N ATOM 63 CA PRO A 6 -17.120 4.309 -4.052 1.00 0.00 C ATOM 64 C PRO A 6 -15.671 4.633 -4.417 1.00 0.00 C ATOM 65 O PRO A 6 -15.375 5.652 -5.035 1.00 0.00 O ATOM 66 CB PRO A 6 -17.722 3.296 -5.019 1.00 0.00 C ATOM 67 CG PRO A 6 -18.245 4.171 -6.151 1.00 0.00 C ATOM 68 CD PRO A 6 -18.641 5.484 -5.470 1.00 0.00 C ATOM 0 HA PRO A 6 -17.103 3.928 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.977 2.583 -5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.521 2.719 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.482 4.333 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.098 3.709 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.355 6.342 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.720 5.540 -5.326 1.00 0.00 H new ATOM 76 N LEU A 7 -14.775 3.721 -4.062 1.00 0.00 N ATOM 77 CA LEU A 7 -13.345 3.758 -4.344 1.00 0.00 C ATOM 78 C LEU A 7 -13.031 3.987 -5.834 1.00 0.00 C ATOM 79 O LEU A 7 -13.041 3.049 -6.636 1.00 0.00 O ATOM 80 CB LEU A 7 -12.733 2.473 -3.792 1.00 0.00 C ATOM 81 CG LEU A 7 -11.239 2.265 -4.077 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.438 3.271 -3.259 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.816 0.853 -3.668 1.00 0.00 C ATOM 0 H LEU A 7 -15.042 2.887 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.895 4.619 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.883 2.457 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.283 1.626 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.055 2.402 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.374 3.133 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.730 4.283 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.636 3.117 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.754 0.717 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.999 0.713 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.393 0.122 -4.235 1.00 0.00 H new ATOM 95 N TYR A 8 -12.707 5.227 -6.193 1.00 0.00 N ATOM 96 CA TYR A 8 -12.372 5.659 -7.545 1.00 0.00 C ATOM 97 C TYR A 8 -10.859 5.798 -7.766 1.00 0.00 C ATOM 98 O TYR A 8 -10.449 6.249 -8.838 1.00 0.00 O ATOM 99 CB TYR A 8 -13.148 6.944 -7.886 1.00 0.00 C ATOM 100 CG TYR A 8 -12.995 8.103 -6.914 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.830 8.893 -6.915 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.039 8.413 -6.024 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.707 9.973 -6.019 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.922 9.485 -5.120 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.743 10.263 -5.104 1.00 0.00 C ATOM 106 OH TYR A 8 -12.586 11.277 -4.211 1.00 0.00 O ATOM 0 H TYR A 8 -12.670 5.991 -5.518 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.684 4.880 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.833 7.282 -8.873 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.207 6.695 -7.957 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.029 8.671 -7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.942 7.821 -6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.816 10.583 -6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.731 9.712 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.388 11.349 -3.653 1.00 0.00 H new ATOM 116 N TYR A 9 -10.019 5.439 -6.789 1.00 0.00 N ATOM 117 CA TYR A 9 -8.567 5.454 -6.923 1.00 0.00 C ATOM 118 C TYR A 9 -7.947 4.515 -5.903 1.00 0.00 C ATOM 119 O TYR A 9 -8.169 4.707 -4.707 1.00 0.00 O ATOM 120 CB TYR A 9 -8.056 6.860 -6.647 1.00 0.00 C ATOM 121 CG TYR A 9 -6.563 7.072 -6.775 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.026 7.356 -8.036 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.725 7.061 -5.642 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.676 7.701 -8.172 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.381 7.472 -5.760 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.853 7.813 -7.031 1.00 0.00 C ATOM 127 OH TYR A 9 -2.560 8.229 -7.173 1.00 0.00 O ATOM 0 H TYR A 9 -10.338 5.126 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.299 5.139 -7.931 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.558 7.546 -7.330 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.355 7.140 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.658 7.309 -8.911 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.111 6.739 -4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.263 7.882 -9.153 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.754 7.527 -4.882 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.127 7.713 -7.885 1.00 0.00 H new ATOM 137 N LEU A 10 -7.146 3.550 -6.353 1.00 0.00 N ATOM 138 CA LEU A 10 -6.431 2.605 -5.508 1.00 0.00 C ATOM 139 C LEU A 10 -4.970 2.654 -5.925 1.00 0.00 C ATOM 140 O LEU A 10 -4.660 2.291 -7.062 1.00 0.00 O ATOM 141 CB LEU A 10 -7.024 1.200 -5.726 1.00 0.00 C ATOM 142 CG LEU A 10 -6.619 0.082 -4.801 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.562 0.453 -3.326 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.474 -1.147 -5.006 1.00 0.00 C ATOM 0 H LEU A 10 -6.974 3.403 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.521 2.850 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.109 1.290 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.775 0.892 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.590 -0.141 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.261 -0.418 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.838 1.255 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.546 0.788 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.153 -1.932 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.518 -0.901 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.369 -1.496 -6.033 1.00 0.00 H new ATOM 156 N GLN A 11 -4.076 3.169 -5.080 1.00 0.00 N ATOM 157 CA GLN A 11 -2.695 3.371 -5.496 1.00 0.00 C ATOM 158 C GLN A 11 -1.751 3.263 -4.306 1.00 0.00 C ATOM 159 O GLN A 11 -2.046 3.787 -3.235 1.00 0.00 O ATOM 160 CB GLN A 11 -2.601 4.741 -6.197 1.00 0.00 C ATOM 161 CG GLN A 11 -1.828 4.691 -7.517 1.00 0.00 C ATOM 162 CD GLN A 11 -2.665 5.070 -8.732 1.00 0.00 C ATOM 163 OE1 GLN A 11 -2.320 5.990 -9.470 1.00 0.00 O ATOM 164 NE2 GLN A 11 -3.737 4.332 -8.988 1.00 0.00 N ATOM 0 H GLN A 11 -4.281 3.448 -4.121 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.389 2.594 -6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.607 5.115 -6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.118 5.452 -5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.972 5.363 -7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.433 3.685 -7.659 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.998 3.575 -8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.301 4.522 -9.817 1.00 0.00 H new ATOM 173 N ILE A 12 -0.615 2.589 -4.479 1.00 0.00 N ATOM 174 CA ILE A 12 0.283 2.228 -3.383 1.00 0.00 C ATOM 175 C ILE A 12 0.923 3.464 -2.728 1.00 0.00 C ATOM 176 O ILE A 12 1.022 3.470 -1.509 1.00 0.00 O ATOM 177 CB ILE A 12 1.265 1.149 -3.895 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.506 -0.139 -4.294 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.380 0.711 -2.927 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.497 -0.678 -3.258 1.00 0.00 C ATOM 0 H ILE A 12 -0.289 2.275 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.269 1.783 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 12 1.746 1.650 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.029 0.052 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.238 -0.919 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.999 -0.048 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.996 1.572 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.935 0.299 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.969 -1.581 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.027 -0.910 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.260 0.076 -3.064 1.00 0.00 H new ATOM 192 N THR A 13 1.244 4.527 -3.474 1.00 0.00 N ATOM 193 CA THR A 13 1.459 5.913 -3.025 1.00 0.00 C ATOM 194 C THR A 13 2.680 6.175 -2.106 1.00 0.00 C ATOM 195 O THR A 13 3.327 7.217 -2.249 1.00 0.00 O ATOM 196 CB THR A 13 0.122 6.463 -2.485 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.913 6.226 -3.421 1.00 0.00 O ATOM 198 CG2 THR A 13 0.119 7.968 -2.237 1.00 0.00 C ATOM 0 H THR A 13 1.370 4.438 -4.482 1.00 0.00 H new ATOM 0 HA THR A 13 1.768 6.484 -3.901 1.00 0.00 H new ATOM 0 HB THR A 13 -0.027 5.946 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.427 5.438 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.857 8.272 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.886 8.218 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.326 8.491 -3.171 1.00 0.00 H new ATOM 206 N GLY A 14 3.098 5.238 -1.258 1.00 0.00 N ATOM 207 CA GLY A 14 4.438 5.160 -0.695 1.00 0.00 C ATOM 208 C GLY A 14 4.673 3.758 -0.140 1.00 0.00 C ATOM 209 O GLY A 14 3.715 3.042 0.174 1.00 0.00 O ATOM 0 H GLY A 14 2.489 4.487 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.180 5.389 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.556 5.901 0.096 1.00 0.00 H new ATOM 213 N ILE A 15 5.937 3.371 0.017 1.00 0.00 N ATOM 214 CA ILE A 15 6.334 2.051 0.491 1.00 0.00 C ATOM 215 C ILE A 15 7.532 2.211 1.409 1.00 0.00 C ATOM 216 O ILE A 15 8.330 3.119 1.206 1.00 0.00 O ATOM 217 CB ILE A 15 6.663 1.161 -0.724 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.617 -0.332 -0.362 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.991 1.563 -1.408 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.677 -1.223 -1.610 1.00 0.00 C ATOM 0 H ILE A 15 6.729 3.981 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 15 5.530 1.574 1.051 1.00 0.00 H new ATOM 0 HB ILE A 15 5.881 1.332 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.452 -0.572 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.703 -0.544 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.176 0.906 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.924 2.594 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.810 1.473 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.642 -2.271 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.828 -1.002 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.604 -1.031 -2.150 1.00 0.00 H new ATOM 232 N THR A 16 7.679 1.322 2.376 1.00 0.00 N ATOM 233 CA THR A 16 8.869 1.244 3.207 1.00 0.00 C ATOM 234 C THR A 16 8.802 -0.086 3.952 1.00 0.00 C ATOM 235 O THR A 16 7.888 -0.893 3.759 1.00 0.00 O ATOM 236 CB THR A 16 8.979 2.483 4.131 1.00 0.00 C ATOM 237 OG1 THR A 16 10.158 2.465 4.912 1.00 0.00 O ATOM 238 CG2 THR A 16 7.797 2.650 5.075 1.00 0.00 C ATOM 0 H THR A 16 6.969 0.627 2.609 1.00 0.00 H new ATOM 0 HA THR A 16 9.784 1.265 2.614 1.00 0.00 H new ATOM 0 HB THR A 16 8.996 3.326 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.856 2.985 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.945 3.538 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.881 2.759 4.495 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.718 1.773 5.717 1.00 0.00 H new ATOM 246 N SER A 17 9.758 -0.307 4.836 1.00 0.00 N ATOM 247 CA SER A 17 9.726 -1.340 5.839 1.00 0.00 C ATOM 248 C SER A 17 10.237 -0.773 7.152 1.00 0.00 C ATOM 249 O SER A 17 10.647 0.395 7.213 1.00 0.00 O ATOM 250 CB SER A 17 10.558 -2.505 5.314 1.00 0.00 C ATOM 251 OG SER A 17 11.835 -2.074 4.885 1.00 0.00 O ATOM 0 H SER A 17 10.609 0.254 4.871 1.00 0.00 H new ATOM 0 HA SER A 17 8.718 -1.704 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.669 -3.256 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.036 -2.983 4.485 1.00 0.00 H new ATOM 0 HG SER A 17 12.519 -2.689 5.224 1.00 0.00 H new ATOM 257 N ASP A 18 10.176 -1.590 8.205 1.00 0.00 N ATOM 258 CA ASP A 18 10.644 -1.187 9.524 1.00 0.00 C ATOM 259 C ASP A 18 12.148 -0.940 9.478 1.00 0.00 C ATOM 260 O ASP A 18 12.608 0.149 9.821 1.00 0.00 O ATOM 261 CB ASP A 18 10.237 -2.207 10.589 1.00 0.00 C ATOM 262 CG ASP A 18 10.105 -1.537 11.959 1.00 0.00 C ATOM 263 OD1 ASP A 18 11.117 -1.200 12.611 1.00 0.00 O ATOM 264 OD2 ASP A 18 8.947 -1.334 12.389 1.00 0.00 O ATOM 0 H ASP A 18 9.804 -2.539 8.165 1.00 0.00 H new ATOM 0 HA ASP A 18 10.166 -0.250 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.290 -2.670 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.979 -3.004 10.639 1.00 0.00 H new ATOM 269 N GLY A 19 12.902 -1.888 8.909 1.00 0.00 N ATOM 270 CA GLY A 19 14.329 -1.752 8.681 1.00 0.00 C ATOM 271 C GLY A 19 14.709 -0.776 7.568 1.00 0.00 C ATOM 272 O GLY A 19 15.861 -0.801 7.150 1.00 0.00 O ATOM 0 H GLY A 19 12.524 -2.781 8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.802 -1.426 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.740 -2.733 8.441 1.00 0.00 H new ATOM 276 N ASN A 20 13.796 0.064 7.063 1.00 0.00 N ATOM 277 CA ASN A 20 14.166 1.192 6.200 1.00 0.00 C ATOM 278 C ASN A 20 13.890 2.521 6.893 1.00 0.00 C ATOM 279 O ASN A 20 13.791 3.550 6.225 1.00 0.00 O ATOM 280 CB ASN A 20 13.497 1.129 4.809 1.00 0.00 C ATOM 281 CG ASN A 20 14.467 1.539 3.699 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.502 2.160 3.943 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.205 1.115 2.473 1.00 0.00 N ATOM 0 H ASN A 20 12.794 -0.017 7.238 1.00 0.00 H new ATOM 0 HA ASN A 20 15.239 1.114 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 20 13.137 0.117 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.627 1.785 4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.864 1.302 1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.344 0.602 2.284 1.00 0.00 H new ATOM 290 N ASP A 21 13.740 2.529 8.222 1.00 0.00 N ATOM 291 CA ASP A 21 13.516 3.743 9.014 1.00 0.00 C ATOM 292 C ASP A 21 12.220 4.443 8.596 1.00 0.00 C ATOM 293 O ASP A 21 12.119 5.670 8.597 1.00 0.00 O ATOM 294 CB ASP A 21 14.721 4.685 8.903 1.00 0.00 C ATOM 295 CG ASP A 21 14.821 5.679 10.059 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.905 5.803 10.899 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.855 6.387 10.085 1.00 0.00 O ATOM 0 H ASP A 21 13.771 1.680 8.786 1.00 0.00 H new ATOM 0 HA ASP A 21 13.407 3.455 10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.634 4.092 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.658 5.235 7.964 1.00 0.00 H new ATOM 302 N PHE A 22 11.231 3.654 8.158 1.00 0.00 N ATOM 303 CA PHE A 22 9.947 4.143 7.672 1.00 0.00 C ATOM 304 C PHE A 22 10.090 5.122 6.484 1.00 0.00 C ATOM 305 O PHE A 22 9.138 5.852 6.202 1.00 0.00 O ATOM 306 CB PHE A 22 9.120 4.706 8.848 1.00 0.00 C ATOM 307 CG PHE A 22 8.665 3.672 9.867 1.00 0.00 C ATOM 308 CD1 PHE A 22 9.577 3.038 10.736 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.297 3.374 9.982 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.118 2.107 11.684 1.00 0.00 C ATOM 311 CE2 PHE A 22 6.842 2.439 10.924 1.00 0.00 C ATOM 312 CZ PHE A 22 7.753 1.805 11.779 1.00 0.00 C ATOM 0 H PHE A 22 11.309 2.637 8.134 1.00 0.00 H new ATOM 0 HA PHE A 22 9.391 3.302 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.714 5.463 9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.241 5.209 8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.630 3.268 10.673 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.587 3.871 9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.822 1.621 12.343 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.789 2.208 10.990 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.405 1.087 12.507 1.00 0.00 H new ATOM 322 N ALA A 23 11.236 5.164 5.787 1.00 0.00 N ATOM 323 CA ALA A 23 11.484 5.976 4.594 1.00 0.00 C ATOM 324 C ALA A 23 10.521 5.638 3.437 1.00 0.00 C ATOM 325 O ALA A 23 10.812 4.764 2.620 1.00 0.00 O ATOM 326 CB ALA A 23 12.951 5.831 4.167 1.00 0.00 C ATOM 0 H ALA A 23 12.048 4.607 6.054 1.00 0.00 H new ATOM 0 HA ALA A 23 11.289 7.017 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.133 6.436 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.600 6.168 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.163 4.786 3.943 1.00 0.00 H new ATOM 332 N TRP A 24 9.381 6.341 3.346 1.00 0.00 N ATOM 333 CA TRP A 24 8.264 6.064 2.428 1.00 0.00 C ATOM 334 C TRP A 24 8.622 6.165 0.942 1.00 0.00 C ATOM 335 O TRP A 24 7.863 5.712 0.076 1.00 0.00 O ATOM 336 CB TRP A 24 7.106 7.034 2.727 1.00 0.00 C ATOM 337 CG TRP A 24 6.310 6.685 3.943 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.249 7.382 5.097 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.503 5.498 4.158 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.475 6.697 6.014 1.00 0.00 N ATOM 341 CE2 TRP A 24 4.991 5.519 5.487 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.190 4.381 3.365 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.211 4.473 5.993 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.413 3.324 3.864 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.924 3.370 5.177 1.00 0.00 C ATOM 0 H TRP A 24 9.205 7.154 3.936 1.00 0.00 H new ATOM 0 HA TRP A 24 7.982 5.026 2.607 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.511 8.039 2.848 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.439 7.061 1.866 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.732 8.331 5.277 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.286 7.022 6.962 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.555 4.335 2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.833 4.515 7.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.192 2.474 3.236 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.326 2.556 5.560 1.00 0.00 H new ATOM 356 N ASP A 25 9.742 6.822 0.647 1.00 0.00 N ATOM 357 CA ASP A 25 10.383 7.060 -0.647 1.00 0.00 C ATOM 358 C ASP A 25 9.447 7.492 -1.785 1.00 0.00 C ATOM 359 O ASP A 25 9.766 7.345 -2.964 1.00 0.00 O ATOM 360 CB ASP A 25 11.202 5.801 -1.014 1.00 0.00 C ATOM 361 CG ASP A 25 12.689 5.901 -0.706 1.00 0.00 C ATOM 362 OD1 ASP A 25 13.312 6.938 -1.019 1.00 0.00 O ATOM 363 OD2 ASP A 25 13.256 4.913 -0.181 1.00 0.00 O ATOM 0 H ASP A 25 10.286 7.250 1.396 1.00 0.00 H new ATOM 0 HA ASP A 25 11.030 7.929 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.790 4.946 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.077 5.600 -2.078 1.00 0.00 H new ATOM 368 N ASN A 26 8.296 8.037 -1.407 1.00 0.00 N ATOM 369 CA ASN A 26 7.303 8.795 -2.165 1.00 0.00 C ATOM 370 C ASN A 26 7.060 8.192 -3.537 1.00 0.00 C ATOM 371 O ASN A 26 7.613 8.662 -4.536 1.00 0.00 O ATOM 372 CB ASN A 26 7.558 10.297 -2.195 1.00 0.00 C ATOM 373 CG ASN A 26 7.239 10.942 -0.854 1.00 0.00 C ATOM 374 OD1 ASN A 26 6.235 11.629 -0.678 1.00 0.00 O ATOM 375 ND2 ASN A 26 8.021 10.640 0.166 1.00 0.00 N ATOM 0 H ASN A 26 7.998 7.946 -0.436 1.00 0.00 H new ATOM 0 HA ASN A 26 6.367 8.700 -1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.600 10.485 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.950 10.755 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.792 10.977 1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.854 10.070 0.019 1.00 0.00 H new ATOM 382 N LEU A 27 6.266 7.129 -3.579 1.00 0.00 N ATOM 383 CA LEU A 27 6.075 6.373 -4.816 1.00 0.00 C ATOM 384 C LEU A 27 5.443 7.273 -5.862 1.00 0.00 C ATOM 385 O LEU A 27 4.507 8.025 -5.575 1.00 0.00 O ATOM 386 CB LEU A 27 5.151 5.159 -4.666 1.00 0.00 C ATOM 387 CG LEU A 27 5.702 3.976 -3.871 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.584 2.951 -3.700 1.00 0.00 C ATOM 389 CD2 LEU A 27 6.845 3.275 -4.591 1.00 0.00 C ATOM 0 H LEU A 27 5.746 6.771 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 27 7.066 6.018 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.228 5.490 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.887 4.806 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 27 6.071 4.362 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.957 2.097 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.752 3.406 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.244 2.616 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.201 2.442 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.494 2.900 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.660 3.980 -4.753 1.00 0.00 H new ATOM 401 N THR A 28 5.890 7.121 -7.099 1.00 0.00 N ATOM 402 CA THR A 28 5.184 7.646 -8.243 1.00 0.00 C ATOM 403 C THR A 28 3.841 6.915 -8.394 1.00 0.00 C ATOM 404 O THR A 28 3.701 5.752 -7.988 1.00 0.00 O ATOM 405 CB THR A 28 6.073 7.487 -9.493 1.00 0.00 C ATOM 406 OG1 THR A 28 7.324 6.875 -9.225 1.00 0.00 O ATOM 407 CG2 THR A 28 6.365 8.859 -10.080 1.00 0.00 C ATOM 0 H THR A 28 6.753 6.629 -7.331 1.00 0.00 H new ATOM 0 HA THR A 28 4.968 8.706 -8.112 1.00 0.00 H new ATOM 0 HB THR A 28 5.517 6.846 -10.178 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.837 6.802 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.993 8.750 -10.964 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.429 9.343 -10.358 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.883 9.469 -9.340 1.00 0.00 H new ATOM 415 N SER A 29 2.859 7.568 -9.015 1.00 0.00 N ATOM 416 CA SER A 29 1.645 6.913 -9.477 1.00 0.00 C ATOM 417 C SER A 29 2.016 5.803 -10.476 1.00 0.00 C ATOM 418 O SER A 29 1.857 4.633 -10.144 1.00 0.00 O ATOM 419 CB SER A 29 0.660 7.957 -10.014 1.00 0.00 C ATOM 420 OG SER A 29 0.183 8.764 -8.939 1.00 0.00 O ATOM 0 H SER A 29 2.887 8.569 -9.210 1.00 0.00 H new ATOM 0 HA SER A 29 1.124 6.420 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.149 8.582 -10.762 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.176 7.462 -10.509 1.00 0.00 H new ATOM 0 HG SER A 29 -0.445 9.432 -9.285 1.00 0.00 H new ATOM 426 N SER A 30 2.603 6.100 -11.637 1.00 0.00 N ATOM 427 CA SER A 30 2.990 5.062 -12.599 1.00 0.00 C ATOM 428 C SER A 30 4.305 4.342 -12.221 1.00 0.00 C ATOM 429 O SER A 30 4.997 3.843 -13.108 1.00 0.00 O ATOM 430 CB SER A 30 3.015 5.669 -14.010 1.00 0.00 C ATOM 431 OG SER A 30 2.902 4.677 -15.016 1.00 0.00 O ATOM 0 H SER A 30 2.822 7.051 -11.935 1.00 0.00 H new ATOM 0 HA SER A 30 2.241 4.271 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.198 6.384 -14.112 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.943 6.223 -14.150 1.00 0.00 H new ATOM 0 HG SER A 30 3.532 3.950 -14.830 1.00 0.00 H new ATOM 437 N GLN A 31 4.694 4.282 -10.940 1.00 0.00 N ATOM 438 CA GLN A 31 5.830 3.463 -10.518 1.00 0.00 C ATOM 439 C GLN A 31 5.516 1.995 -10.861 1.00 0.00 C ATOM 440 O GLN A 31 4.370 1.569 -10.704 1.00 0.00 O ATOM 441 CB GLN A 31 6.060 3.642 -9.002 1.00 0.00 C ATOM 442 CG GLN A 31 7.402 3.098 -8.520 1.00 0.00 C ATOM 443 CD GLN A 31 8.547 4.102 -8.450 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.153 4.434 -9.465 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.897 4.548 -7.254 1.00 0.00 N ATOM 0 H GLN A 31 4.238 4.791 -10.183 1.00 0.00 H new ATOM 0 HA GLN A 31 6.741 3.767 -11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.997 4.702 -8.756 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.258 3.141 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.262 2.668 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.700 2.284 -9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.375 4.255 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.688 5.184 -7.159 1.00 0.00 H new ATOM 454 N THR A 32 6.518 1.203 -11.267 1.00 0.00 N ATOM 455 CA THR A 32 6.345 -0.244 -11.471 1.00 0.00 C ATOM 456 C THR A 32 7.402 -1.077 -10.729 1.00 0.00 C ATOM 457 O THR A 32 7.385 -2.303 -10.777 1.00 0.00 O ATOM 458 CB THR A 32 6.236 -0.586 -12.973 1.00 0.00 C ATOM 459 OG1 THR A 32 7.467 -0.498 -13.670 1.00 0.00 O ATOM 460 CG2 THR A 32 5.219 0.294 -13.715 1.00 0.00 C ATOM 0 H THR A 32 7.461 1.541 -11.462 1.00 0.00 H new ATOM 0 HA THR A 32 5.396 -0.528 -11.017 1.00 0.00 H new ATOM 0 HB THR A 32 5.901 -1.623 -12.970 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.327 -0.728 -14.612 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.187 0.006 -14.766 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.232 0.161 -13.272 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.515 1.340 -13.634 1.00 0.00 H new ATOM 468 N LYS A 33 8.327 -0.434 -10.012 1.00 0.00 N ATOM 469 CA LYS A 33 9.366 -1.095 -9.238 1.00 0.00 C ATOM 470 C LYS A 33 9.594 -0.297 -7.961 1.00 0.00 C ATOM 471 O LYS A 33 9.220 0.872 -7.881 1.00 0.00 O ATOM 472 CB LYS A 33 10.656 -1.164 -10.075 1.00 0.00 C ATOM 473 CG LYS A 33 11.199 -2.596 -10.143 1.00 0.00 C ATOM 474 CD LYS A 33 10.945 -3.293 -11.491 1.00 0.00 C ATOM 475 CE LYS A 33 11.936 -4.439 -11.742 1.00 0.00 C ATOM 476 NZ LYS A 33 11.839 -5.532 -10.754 1.00 0.00 N ATOM 0 H LYS A 33 8.370 0.584 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 33 9.068 -2.111 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.458 -0.799 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.410 -0.507 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.272 -2.577 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.743 -3.186 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.927 -3.683 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.023 -2.563 -12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.764 -4.845 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.950 -4.040 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.535 -6.270 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.032 -5.158 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.882 -5.939 -10.779 1.00 0.00 H new ATOM 490 N ALA A 34 10.162 -0.931 -6.946 1.00 0.00 N ATOM 491 CA ALA A 34 10.434 -0.305 -5.672 1.00 0.00 C ATOM 492 C ALA A 34 11.539 0.741 -5.826 1.00 0.00 C ATOM 493 O ALA A 34 12.331 0.684 -6.771 1.00 0.00 O ATOM 494 CB ALA A 34 10.847 -1.392 -4.676 1.00 0.00 C ATOM 0 H ALA A 34 10.449 -1.909 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 34 9.543 0.204 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.056 -0.938 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.038 -2.115 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.741 -1.898 -5.040 1.00 0.00 H new ATOM 500 N PRO A 35 11.651 1.661 -4.859 1.00 0.00 N ATOM 501 CA PRO A 35 12.785 2.557 -4.764 1.00 0.00 C ATOM 502 C PRO A 35 14.081 1.797 -4.490 1.00 0.00 C ATOM 503 O PRO A 35 15.140 2.270 -4.896 1.00 0.00 O ATOM 504 CB PRO A 35 12.479 3.513 -3.607 1.00 0.00 C ATOM 505 CG PRO A 35 11.478 2.721 -2.758 1.00 0.00 C ATOM 506 CD PRO A 35 10.698 1.932 -3.802 1.00 0.00 C ATOM 0 HA PRO A 35 12.930 3.089 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.377 3.763 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.053 4.452 -3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.981 2.065 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.829 3.379 -2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.301 1.008 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.848 2.504 -4.174 1.00 0.00 H new ATOM 514 N ASN A 36 14.016 0.682 -3.749 1.00 0.00 N ATOM 515 CA ASN A 36 15.183 0.003 -3.218 1.00 0.00 C ATOM 516 C ASN A 36 14.815 -1.405 -2.771 1.00 0.00 C ATOM 517 O ASN A 36 13.633 -1.720 -2.591 1.00 0.00 O ATOM 518 CB ASN A 36 15.724 0.780 -1.999 1.00 0.00 C ATOM 519 CG ASN A 36 17.110 1.306 -2.301 1.00 0.00 C ATOM 520 OD1 ASN A 36 18.061 0.531 -2.370 1.00 0.00 O ATOM 521 ND2 ASN A 36 17.230 2.601 -2.505 1.00 0.00 N ATOM 0 H ASN A 36 13.136 0.229 -3.504 1.00 0.00 H new ATOM 0 HA ASN A 36 15.941 -0.048 -4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.056 1.607 -1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.754 0.129 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 36 18.141 2.999 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.412 3.206 -2.437 1.00 0.00 H new ATOM 528 N VAL A 37 15.841 -2.197 -2.468 1.00 0.00 N ATOM 529 CA VAL A 37 15.742 -3.303 -1.532 1.00 0.00 C ATOM 530 C VAL A 37 15.339 -2.813 -0.142 1.00 0.00 C ATOM 531 O VAL A 37 16.110 -2.175 0.573 1.00 0.00 O ATOM 532 CB VAL A 37 16.938 -4.258 -1.636 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.290 -3.615 -1.748 1.00 0.00 C ATOM 534 CG2 VAL A 37 17.018 -5.346 -0.561 1.00 0.00 C ATOM 0 H VAL A 37 16.771 -2.084 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 37 14.914 -3.955 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 37 16.700 -4.726 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 19.056 -4.388 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.324 -2.992 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.473 -2.998 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.901 -5.962 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.085 -4.881 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.126 -5.970 -0.608 1.00 0.00 H new ATOM 544 N LEU A 38 14.079 -3.083 0.194 1.00 0.00 N ATOM 545 CA LEU A 38 13.485 -2.870 1.501 1.00 0.00 C ATOM 546 C LEU A 38 14.073 -3.894 2.457 1.00 0.00 C ATOM 547 O LEU A 38 13.870 -5.094 2.277 1.00 0.00 O ATOM 548 CB LEU A 38 11.959 -3.024 1.423 1.00 0.00 C ATOM 549 CG LEU A 38 11.278 -2.081 0.418 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.769 -2.293 0.475 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.594 -0.610 0.695 1.00 0.00 C ATOM 0 H LEU A 38 13.417 -3.475 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 38 13.701 -1.862 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.723 -4.054 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.537 -2.848 2.412 1.00 0.00 H new ATOM 0 HG LEU A 38 11.664 -2.319 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.281 -1.626 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.537 -3.327 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.409 -2.077 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.090 0.015 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.247 -0.345 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.670 -0.451 0.631 1.00 0.00 H new ATOM 563 N LYS A 39 14.817 -3.423 3.460 1.00 0.00 N ATOM 564 CA LYS A 39 15.363 -4.320 4.487 1.00 0.00 C ATOM 565 C LYS A 39 14.256 -4.770 5.443 1.00 0.00 C ATOM 566 O LYS A 39 13.158 -4.209 5.427 1.00 0.00 O ATOM 567 CB LYS A 39 16.503 -3.638 5.255 1.00 0.00 C ATOM 568 CG LYS A 39 17.583 -3.033 4.339 1.00 0.00 C ATOM 569 CD LYS A 39 17.518 -1.494 4.270 1.00 0.00 C ATOM 570 CE LYS A 39 18.082 -0.944 2.954 1.00 0.00 C ATOM 571 NZ LYS A 39 19.511 -1.254 2.750 1.00 0.00 N ATOM 0 H LYS A 39 15.054 -2.439 3.585 1.00 0.00 H new ATOM 0 HA LYS A 39 15.771 -5.202 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.087 -2.850 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.968 -4.365 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.567 -3.334 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.471 -3.442 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.483 -1.171 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.076 -1.072 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.508 -1.353 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.947 0.137 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.887 -0.666 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.038 -1.056 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.616 -2.259 2.502 1.00 0.00 H new ATOM 585 N GLY A 40 14.534 -5.709 6.343 1.00 0.00 N ATOM 586 CA GLY A 40 13.545 -6.162 7.312 1.00 0.00 C ATOM 587 C GLY A 40 12.615 -7.211 6.702 1.00 0.00 C ATOM 588 O GLY A 40 12.974 -7.878 5.728 1.00 0.00 O ATOM 0 H GLY A 40 15.440 -6.171 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.050 -6.582 8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.959 -5.312 7.662 1.00 0.00 H new ATOM 592 N ASN A 41 11.437 -7.378 7.313 1.00 0.00 N ATOM 593 CA ASN A 41 10.402 -8.349 6.946 1.00 0.00 C ATOM 594 C ASN A 41 9.027 -7.664 6.891 1.00 0.00 C ATOM 595 O ASN A 41 8.160 -8.079 6.118 1.00 0.00 O ATOM 596 CB ASN A 41 10.414 -9.490 7.988 1.00 0.00 C ATOM 597 CG ASN A 41 9.549 -10.727 7.733 1.00 0.00 C ATOM 598 OD1 ASN A 41 9.816 -11.779 8.306 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.460 -10.670 6.989 1.00 0.00 N ATOM 0 H ASN A 41 11.167 -6.811 8.117 1.00 0.00 H new ATOM 0 HA ASN A 41 10.603 -8.760 5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.445 -9.825 8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.111 -9.066 8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.860 -11.490 6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.219 -9.806 6.504 1.00 0.00 H new ATOM 606 N LYS A 42 8.785 -6.640 7.716 1.00 0.00 N ATOM 607 CA LYS A 42 7.520 -5.913 7.740 1.00 0.00 C ATOM 608 C LYS A 42 7.496 -4.918 6.594 1.00 0.00 C ATOM 609 O LYS A 42 8.274 -3.970 6.595 1.00 0.00 O ATOM 610 CB LYS A 42 7.330 -5.186 9.082 1.00 0.00 C ATOM 611 CG LYS A 42 7.019 -6.139 10.252 1.00 0.00 C ATOM 612 CD LYS A 42 5.840 -7.082 9.955 1.00 0.00 C ATOM 613 CE LYS A 42 5.164 -7.558 11.243 1.00 0.00 C ATOM 614 NZ LYS A 42 3.931 -8.333 10.986 1.00 0.00 N ATOM 0 H LYS A 42 9.469 -6.293 8.389 1.00 0.00 H new ATOM 0 HA LYS A 42 6.700 -6.623 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.233 -4.621 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.519 -4.464 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.905 -6.732 10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.794 -5.552 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.111 -6.568 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.195 -7.943 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.863 -8.172 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.923 -6.694 11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.122 -7.857 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.770 -8.399 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.033 -9.289 11.383 1.00 0.00 H new ATOM 628 N LEU A 43 6.619 -5.147 5.624 1.00 0.00 N ATOM 629 CA LEU A 43 6.381 -4.279 4.484 1.00 0.00 C ATOM 630 C LEU A 43 5.234 -3.334 4.851 1.00 0.00 C ATOM 631 O LEU A 43 4.102 -3.773 5.096 1.00 0.00 O ATOM 632 CB LEU A 43 6.023 -5.130 3.249 1.00 0.00 C ATOM 633 CG LEU A 43 6.739 -4.679 1.973 1.00 0.00 C ATOM 634 CD1 LEU A 43 6.437 -5.665 0.840 1.00 0.00 C ATOM 635 CD2 LEU A 43 6.309 -3.283 1.528 1.00 0.00 C ATOM 0 H LEU A 43 6.030 -5.980 5.613 1.00 0.00 H new ATOM 0 HA LEU A 43 7.271 -3.699 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.274 -6.172 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.946 -5.087 3.087 1.00 0.00 H new ATOM 0 HG LEU A 43 7.806 -4.652 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.947 -5.343 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.786 -6.659 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.362 -5.695 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.845 -3.010 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.237 -3.278 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.538 -2.564 2.315 1.00 0.00 H new ATOM 647 N TYR A 44 5.504 -2.035 4.882 1.00 0.00 N ATOM 648 CA TYR A 44 4.507 -1.016 5.154 1.00 0.00 C ATOM 649 C TYR A 44 4.169 -0.311 3.842 1.00 0.00 C ATOM 650 O TYR A 44 5.055 0.006 3.048 1.00 0.00 O ATOM 651 CB TYR A 44 5.046 -0.042 6.197 1.00 0.00 C ATOM 652 CG TYR A 44 5.531 -0.673 7.495 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.764 -1.651 8.161 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.737 -0.237 8.067 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.186 -2.157 9.402 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.147 -0.718 9.320 1.00 0.00 C ATOM 657 CZ TYR A 44 6.370 -1.678 10.003 1.00 0.00 C ATOM 658 OH TYR A 44 6.711 -2.116 11.249 1.00 0.00 O ATOM 0 H TYR A 44 6.437 -1.658 4.716 1.00 0.00 H new ATOM 0 HA TYR A 44 3.596 -1.459 5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.871 0.517 5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.264 0.679 6.434 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.849 -2.012 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.354 0.474 7.538 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.601 -2.917 9.899 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.061 -0.352 9.764 1.00 0.00 H new ATOM 0 HH TYR A 44 7.620 -1.819 11.463 1.00 0.00 H new ATOM 668 N VAL A 45 2.880 -0.067 3.603 1.00 0.00 N ATOM 669 CA VAL A 45 2.379 0.458 2.335 1.00 0.00 C ATOM 670 C VAL A 45 1.348 1.546 2.616 1.00 0.00 C ATOM 671 O VAL A 45 0.300 1.250 3.198 1.00 0.00 O ATOM 672 CB VAL A 45 1.784 -0.682 1.492 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.525 -0.163 0.094 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.706 -1.905 1.397 1.00 0.00 C ATOM 0 H VAL A 45 2.147 -0.231 4.293 1.00 0.00 H new ATOM 0 HA VAL A 45 3.196 0.898 1.763 1.00 0.00 H new ATOM 0 HB VAL A 45 0.866 -1.005 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.102 -0.960 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.824 0.670 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.462 0.175 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.229 -2.674 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.651 -1.614 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.894 -2.297 2.396 1.00 0.00 H new ATOM 684 N LYS A 46 1.633 2.803 2.269 1.00 0.00 N ATOM 685 CA LYS A 46 0.727 3.928 2.511 1.00 0.00 C ATOM 686 C LYS A 46 -0.247 4.027 1.333 1.00 0.00 C ATOM 687 O LYS A 46 -0.285 5.029 0.621 1.00 0.00 O ATOM 688 CB LYS A 46 1.542 5.216 2.764 1.00 0.00 C ATOM 689 CG LYS A 46 0.701 6.248 3.528 1.00 0.00 C ATOM 690 CD LYS A 46 1.322 7.649 3.638 1.00 0.00 C ATOM 691 CE LYS A 46 2.516 7.698 4.601 1.00 0.00 C ATOM 692 NZ LYS A 46 2.809 9.080 5.038 1.00 0.00 N ATOM 0 H LYS A 46 2.504 3.070 1.810 1.00 0.00 H new ATOM 0 HA LYS A 46 0.131 3.776 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.440 4.978 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.869 5.638 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.269 6.336 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.517 5.870 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.645 7.977 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.561 8.353 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.307 7.077 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.395 7.276 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.621 9.074 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.033 9.666 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.979 9.473 5.526 1.00 0.00 H new ATOM 706 N ALA A 47 -1.018 2.960 1.111 1.00 0.00 N ATOM 707 CA ALA A 47 -1.890 2.827 -0.041 1.00 0.00 C ATOM 708 C ALA A 47 -3.037 3.817 0.091 1.00 0.00 C ATOM 709 O ALA A 47 -3.786 3.774 1.069 1.00 0.00 O ATOM 710 CB ALA A 47 -2.387 1.385 -0.164 1.00 0.00 C ATOM 0 H ALA A 47 -1.049 2.157 1.740 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.344 3.055 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.040 1.298 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.535 0.715 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.940 1.113 0.735 1.00 0.00 H new ATOM 716 N ARG A 48 -3.166 4.737 -0.861 1.00 0.00 N ATOM 717 CA ARG A 48 -4.282 5.661 -0.891 1.00 0.00 C ATOM 718 C ARG A 48 -5.504 4.968 -1.470 1.00 0.00 C ATOM 719 O ARG A 48 -5.403 4.201 -2.431 1.00 0.00 O ATOM 720 CB ARG A 48 -3.899 6.884 -1.719 1.00 0.00 C ATOM 721 CG ARG A 48 -4.944 8.002 -1.572 1.00 0.00 C ATOM 722 CD ARG A 48 -4.293 9.353 -1.861 1.00 0.00 C ATOM 723 NE ARG A 48 -3.398 9.737 -0.758 1.00 0.00 N ATOM 724 CZ ARG A 48 -2.827 10.936 -0.625 1.00 0.00 C ATOM 725 NH1 ARG A 48 -2.921 11.840 -1.599 1.00 0.00 N ATOM 726 NH2 ARG A 48 -2.185 11.206 0.502 1.00 0.00 N ATOM 0 H ARG A 48 -2.502 4.858 -1.626 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.525 5.988 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.923 7.251 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.808 6.603 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.773 7.832 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.359 7.995 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.730 9.301 -2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.062 10.113 -1.995 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.200 9.036 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.432 11.618 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.482 12.754 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.136 10.505 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.740 12.115 0.630 1.00 0.00 H new ATOM 740 N PHE A 49 -6.660 5.321 -0.918 1.00 0.00 N ATOM 741 CA PHE A 49 -7.974 4.887 -1.345 1.00 0.00 C ATOM 742 C PHE A 49 -8.806 6.162 -1.382 1.00 0.00 C ATOM 743 O PHE A 49 -9.067 6.734 -0.315 1.00 0.00 O ATOM 744 CB PHE A 49 -8.569 3.903 -0.331 1.00 0.00 C ATOM 745 CG PHE A 49 -7.835 2.593 -0.107 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.628 2.584 0.616 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.359 1.375 -0.580 1.00 0.00 C ATOM 748 CE1 PHE A 49 -5.920 1.390 0.815 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.702 0.164 -0.299 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.469 0.172 0.382 1.00 0.00 C ATOM 0 H PHE A 49 -6.701 5.952 -0.118 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.946 4.376 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.644 4.414 0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.585 3.669 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.242 3.507 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.269 1.371 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.955 1.407 1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.143 -0.773 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.948 -0.755 0.570 1.00 0.00 H new ATOM 760 N MET A 50 -9.144 6.649 -2.576 1.00 0.00 N ATOM 761 CA MET A 50 -10.020 7.808 -2.723 1.00 0.00 C ATOM 762 C MET A 50 -11.421 7.251 -2.943 1.00 0.00 C ATOM 763 O MET A 50 -11.622 6.518 -3.911 1.00 0.00 O ATOM 764 CB MET A 50 -9.624 8.722 -3.893 1.00 0.00 C ATOM 765 CG MET A 50 -8.129 9.058 -3.985 1.00 0.00 C ATOM 766 SD MET A 50 -7.588 10.653 -3.322 1.00 0.00 S ATOM 767 CE MET A 50 -8.271 10.542 -1.659 1.00 0.00 C ATOM 0 H MET A 50 -8.821 6.255 -3.460 1.00 0.00 H new ATOM 0 HA MET A 50 -9.952 8.432 -1.832 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.931 8.246 -4.824 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.185 9.653 -3.811 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.576 8.274 -3.468 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.838 9.014 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.817 11.306 -1.028 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.349 10.697 -1.697 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.060 9.556 -1.244 1.00 0.00 H new ATOM 777 N GLY A 51 -12.356 7.542 -2.046 1.00 0.00 N ATOM 778 CA GLY A 51 -13.708 6.980 -2.048 1.00 0.00 C ATOM 779 C GLY A 51 -13.883 5.870 -1.007 1.00 0.00 C ATOM 780 O GLY A 51 -12.910 5.308 -0.492 1.00 0.00 O ATOM 0 H GLY A 51 -12.194 8.191 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.428 7.774 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.932 6.584 -3.038 1.00 0.00 H new ATOM 784 N TYR A 52 -15.139 5.557 -0.678 1.00 0.00 N ATOM 785 CA TYR A 52 -15.539 4.540 0.281 1.00 0.00 C ATOM 786 C TYR A 52 -15.222 3.156 -0.269 1.00 0.00 C ATOM 787 O TYR A 52 -15.944 2.649 -1.128 1.00 0.00 O ATOM 788 CB TYR A 52 -17.044 4.633 0.618 1.00 0.00 C ATOM 789 CG TYR A 52 -17.338 5.217 1.980 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.502 6.604 2.125 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.453 4.373 3.102 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.750 7.166 3.389 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.732 4.928 4.363 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.842 6.325 4.518 1.00 0.00 C ATOM 795 OH TYR A 52 -17.978 6.843 5.770 1.00 0.00 O ATOM 0 H TYR A 52 -15.938 6.032 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.977 4.711 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.538 5.241 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.480 3.636 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -17.437 7.244 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.328 3.306 2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.869 8.234 3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.863 4.281 5.218 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.027 6.113 6.422 1.00 0.00 H new ATOM 805 N THR A 53 -14.199 2.529 0.303 1.00 0.00 N ATOM 806 CA THR A 53 -14.056 1.089 0.406 1.00 0.00 C ATOM 807 C THR A 53 -13.278 0.797 1.676 1.00 0.00 C ATOM 808 O THR A 53 -12.149 1.267 1.846 1.00 0.00 O ATOM 809 CB THR A 53 -13.355 0.509 -0.828 1.00 0.00 C ATOM 810 OG1 THR A 53 -14.262 0.491 -1.904 1.00 0.00 O ATOM 811 CG2 THR A 53 -12.839 -0.915 -0.651 1.00 0.00 C ATOM 0 H THR A 53 -13.419 3.034 0.723 1.00 0.00 H new ATOM 0 HA THR A 53 -15.036 0.614 0.450 1.00 0.00 H new ATOM 0 HB THR A 53 -12.492 1.151 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.484 -0.437 -2.129 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.358 -1.245 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.117 -0.942 0.165 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.673 -1.578 -0.420 1.00 0.00 H new ATOM 819 N LYS A 54 -13.867 -0.022 2.548 1.00 0.00 N ATOM 820 CA LYS A 54 -13.169 -0.643 3.672 1.00 0.00 C ATOM 821 C LYS A 54 -12.845 -2.116 3.379 1.00 0.00 C ATOM 822 O LYS A 54 -12.060 -2.711 4.111 1.00 0.00 O ATOM 823 CB LYS A 54 -14.009 -0.437 4.947 1.00 0.00 C ATOM 824 CG LYS A 54 -13.978 1.033 5.411 1.00 0.00 C ATOM 825 CD LYS A 54 -13.120 1.318 6.649 1.00 0.00 C ATOM 826 CE LYS A 54 -13.083 2.830 6.905 1.00 0.00 C ATOM 827 NZ LYS A 54 -12.244 3.231 8.048 1.00 0.00 N ATOM 0 H LYS A 54 -14.854 -0.275 2.492 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.202 -0.166 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.039 -0.739 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.630 -1.079 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.613 1.648 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.000 1.352 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.530 0.801 7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.109 0.938 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.717 3.330 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.100 3.183 7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.272 4.265 8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.603 2.784 8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.263 2.927 7.882 1.00 0.00 H new ATOM 841 N LEU A 55 -13.386 -2.700 2.302 1.00 0.00 N ATOM 842 CA LEU A 55 -13.189 -4.095 1.905 1.00 0.00 C ATOM 843 C LEU A 55 -11.877 -4.224 1.110 1.00 0.00 C ATOM 844 O LEU A 55 -11.894 -4.256 -0.121 1.00 0.00 O ATOM 845 CB LEU A 55 -14.432 -4.556 1.104 1.00 0.00 C ATOM 846 CG LEU A 55 -14.721 -6.071 1.081 1.00 0.00 C ATOM 847 CD1 LEU A 55 -13.545 -6.941 0.627 1.00 0.00 C ATOM 848 CD2 LEU A 55 -15.227 -6.548 2.446 1.00 0.00 C ATOM 0 H LEU A 55 -13.996 -2.192 1.661 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.092 -4.746 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.306 -4.049 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.318 -4.216 0.075 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.496 -6.198 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.841 -7.990 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.255 -6.661 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.701 -6.792 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.424 -7.619 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.471 -6.346 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.146 -6.019 2.699 1.00 0.00 H new ATOM 860 N THR A 56 -10.731 -4.229 1.793 1.00 0.00 N ATOM 861 CA THR A 56 -9.420 -4.374 1.156 1.00 0.00 C ATOM 862 C THR A 56 -9.074 -5.865 1.047 1.00 0.00 C ATOM 863 O THR A 56 -9.318 -6.615 1.994 1.00 0.00 O ATOM 864 CB THR A 56 -8.351 -3.639 1.987 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.813 -2.375 2.434 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.070 -3.430 1.171 1.00 0.00 C ATOM 0 H THR A 56 -10.685 -4.132 2.807 1.00 0.00 H new ATOM 0 HA THR A 56 -9.447 -3.937 0.158 1.00 0.00 H new ATOM 0 HB THR A 56 -8.141 -4.268 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.088 -1.719 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.331 -2.909 1.780 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.671 -4.397 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.295 -2.835 0.286 1.00 0.00 H new ATOM 874 N VAL A 57 -8.446 -6.296 -0.051 1.00 0.00 N ATOM 875 CA VAL A 57 -8.025 -7.675 -0.288 1.00 0.00 C ATOM 876 C VAL A 57 -6.574 -7.657 -0.779 1.00 0.00 C ATOM 877 O VAL A 57 -6.096 -6.690 -1.380 1.00 0.00 O ATOM 878 CB VAL A 57 -8.997 -8.360 -1.279 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.597 -9.811 -1.599 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.433 -8.329 -0.731 1.00 0.00 C ATOM 0 H VAL A 57 -8.210 -5.672 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.061 -8.264 0.629 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.943 -7.794 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.314 -10.240 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.603 -9.824 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.590 -10.398 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.104 -8.815 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.470 -8.856 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.745 -7.295 -0.587 1.00 0.00 H new ATOM 890 N ILE A 58 -5.846 -8.731 -0.481 1.00 0.00 N ATOM 891 CA ILE A 58 -4.440 -8.931 -0.801 1.00 0.00 C ATOM 892 C ILE A 58 -4.356 -10.435 -1.056 1.00 0.00 C ATOM 893 O ILE A 58 -4.476 -11.192 -0.102 1.00 0.00 O ATOM 894 CB ILE A 58 -3.534 -8.448 0.369 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.820 -6.969 0.735 1.00 0.00 C ATOM 896 CG2 ILE A 58 -2.043 -8.632 0.030 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.940 -6.378 1.837 1.00 0.00 C ATOM 0 H ILE A 58 -6.246 -9.526 0.017 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.089 -8.358 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.771 -9.065 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.703 -6.362 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.862 -6.885 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.435 -8.286 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.839 -9.687 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.798 -8.054 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.225 -5.341 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.072 -6.951 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.895 -6.420 1.530 1.00 0.00 H new ATOM 909 N THR A 59 -4.265 -10.868 -2.309 1.00 0.00 N ATOM 910 CA THR A 59 -4.280 -12.253 -2.764 1.00 0.00 C ATOM 911 C THR A 59 -3.048 -13.065 -2.344 1.00 0.00 C ATOM 912 O THR A 59 -3.046 -14.289 -2.447 1.00 0.00 O ATOM 913 CB THR A 59 -4.359 -12.262 -4.304 1.00 0.00 C ATOM 914 OG1 THR A 59 -3.863 -11.068 -4.874 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.782 -12.404 -4.834 1.00 0.00 C ATOM 0 H THR A 59 -4.172 -10.215 -3.087 1.00 0.00 H new ATOM 0 HA THR A 59 -5.145 -12.724 -2.296 1.00 0.00 H new ATOM 0 HB THR A 59 -3.755 -13.124 -4.586 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.886 -11.138 -5.851 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.766 -12.403 -5.924 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.211 -13.341 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.387 -11.570 -4.479 1.00 0.00 H new ATOM 923 N GLY A 60 -1.976 -12.383 -1.947 1.00 0.00 N ATOM 924 CA GLY A 60 -0.692 -12.992 -1.623 1.00 0.00 C ATOM 925 C GLY A 60 -0.237 -13.911 -2.736 1.00 0.00 C ATOM 926 O GLY A 60 -0.170 -13.461 -3.883 1.00 0.00 O ATOM 0 H GLY A 60 -1.978 -11.369 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.054 -12.214 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.775 -13.554 -0.693 1.00 0.00 H new ATOM 930 N LYS A 61 0.099 -15.155 -2.381 1.00 0.00 N ATOM 931 CA LYS A 61 0.479 -16.228 -3.288 1.00 0.00 C ATOM 932 C LYS A 61 -0.768 -16.792 -3.951 1.00 0.00 C ATOM 933 O LYS A 61 -1.061 -16.407 -5.082 1.00 0.00 O ATOM 934 CB LYS A 61 1.311 -17.307 -2.560 1.00 0.00 C ATOM 935 CG LYS A 61 2.754 -16.857 -2.290 1.00 0.00 C ATOM 936 CD LYS A 61 3.550 -17.767 -1.350 1.00 0.00 C ATOM 937 CE LYS A 61 4.963 -17.188 -1.163 1.00 0.00 C ATOM 938 NZ LYS A 61 5.849 -18.111 -0.428 1.00 0.00 N ATOM 0 H LYS A 61 0.112 -15.449 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 61 1.125 -15.833 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.829 -17.556 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.324 -18.217 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.282 -16.791 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.732 -15.853 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.046 -17.846 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.608 -18.774 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.397 -16.970 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.898 -16.243 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.249 -17.623 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.303 -18.938 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.620 -18.423 -1.052 1.00 0.00 H new ATOM 952 N ASP A 62 -1.484 -17.676 -3.262 1.00 0.00 N ATOM 953 CA ASP A 62 -2.472 -18.604 -3.831 1.00 0.00 C ATOM 954 C ASP A 62 -3.835 -17.958 -4.108 1.00 0.00 C ATOM 955 O ASP A 62 -4.865 -18.625 -4.211 1.00 0.00 O ATOM 956 CB ASP A 62 -2.592 -19.817 -2.891 1.00 0.00 C ATOM 957 CG ASP A 62 -3.411 -20.956 -3.505 1.00 0.00 C ATOM 958 OD1 ASP A 62 -3.077 -21.366 -4.647 1.00 0.00 O ATOM 959 OD2 ASP A 62 -4.335 -21.451 -2.820 1.00 0.00 O ATOM 0 H ASP A 62 -1.392 -17.774 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.118 -18.921 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.595 -20.182 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.056 -19.503 -1.956 1.00 0.00 H new ATOM 964 N GLY A 63 -3.883 -16.631 -4.167 1.00 0.00 N ATOM 965 CA GLY A 63 -5.127 -15.890 -4.206 1.00 0.00 C ATOM 966 C GLY A 63 -5.766 -15.787 -2.820 1.00 0.00 C ATOM 967 O GLY A 63 -6.865 -15.241 -2.703 1.00 0.00 O ATOM 0 H GLY A 63 -3.051 -16.041 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.943 -14.890 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.820 -16.378 -4.891 1.00 0.00 H new ATOM 971 N LYS A 64 -5.113 -16.297 -1.766 1.00 0.00 N ATOM 972 CA LYS A 64 -5.662 -16.302 -0.418 1.00 0.00 C ATOM 973 C LYS A 64 -5.567 -14.901 0.171 1.00 0.00 C ATOM 974 O LYS A 64 -4.507 -14.280 0.149 1.00 0.00 O ATOM 975 CB LYS A 64 -4.963 -17.336 0.477 1.00 0.00 C ATOM 976 CG LYS A 64 -5.350 -18.782 0.118 1.00 0.00 C ATOM 977 CD LYS A 64 -4.792 -19.757 1.167 1.00 0.00 C ATOM 978 CE LYS A 64 -4.990 -21.234 0.805 1.00 0.00 C ATOM 979 NZ LYS A 64 -6.406 -21.654 0.739 1.00 0.00 N ATOM 0 H LYS A 64 -4.186 -16.717 -1.833 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.711 -16.595 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.883 -17.219 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.219 -17.143 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.435 -18.874 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.961 -19.036 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.727 -19.564 1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.273 -19.560 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.519 -21.427 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.473 -21.850 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.458 -22.662 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.856 -21.503 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.901 -21.093 0.017 1.00 0.00 H new ATOM 993 N ASN A 65 -6.676 -14.408 0.715 1.00 0.00 N ATOM 994 CA ASN A 65 -6.816 -13.068 1.265 1.00 0.00 C ATOM 995 C ASN A 65 -5.919 -12.938 2.497 1.00 0.00 C ATOM 996 O ASN A 65 -6.319 -13.338 3.590 1.00 0.00 O ATOM 997 CB ASN A 65 -8.295 -12.838 1.629 1.00 0.00 C ATOM 998 CG ASN A 65 -8.703 -11.395 1.855 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.681 -10.925 1.305 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -8.013 -10.658 2.698 1.00 0.00 N ATOM 0 H ASN A 65 -7.534 -14.955 0.786 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.512 -12.316 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.914 -13.250 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.520 -13.405 2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.299 -9.697 2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.192 -11.047 3.162 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.722 -12.363 2.386 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.766 -12.287 3.492 1.00 0.00 C ATOM 1009 C LEU A 66 -4.337 -11.516 4.684 1.00 0.00 C ATOM 1010 O LEU A 66 -4.088 -11.900 5.831 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.434 -11.664 3.050 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.732 -12.373 1.874 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.329 -11.765 1.741 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.607 -13.890 2.063 1.00 0.00 C ATOM 0 H LEU A 66 -4.386 -11.935 1.523 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.576 -13.313 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.612 -10.625 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.756 -11.654 3.903 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.337 -12.224 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.198 -12.244 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.413 -10.696 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.225 -11.923 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.104 -14.324 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.028 -14.098 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.600 -14.327 2.162 1.00 0.00 H new ATOM 1026 N LEU A 67 -5.159 -10.489 4.428 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.891 -9.743 5.454 1.00 0.00 C ATOM 1028 C LEU A 67 -6.948 -10.597 6.174 1.00 0.00 C ATOM 1029 O LEU A 67 -7.549 -10.110 7.128 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.541 -8.479 4.846 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.599 -7.289 4.615 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -6.251 -6.284 3.659 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -5.285 -6.566 5.924 1.00 0.00 C ATOM 0 H LEU A 67 -5.335 -10.149 3.483 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.160 -9.446 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.995 -8.749 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.349 -8.157 5.503 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.675 -7.681 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.576 -5.443 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.456 -6.770 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.185 -5.924 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.616 -5.729 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.210 -6.195 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.805 -7.258 6.616 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.214 -11.834 5.751 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.076 -12.792 6.433 1.00 0.00 C ATOM 1047 C TYR A 68 -7.307 -14.112 6.629 1.00 0.00 C ATOM 1048 O TYR A 68 -7.906 -15.165 6.820 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.361 -12.945 5.605 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.584 -13.480 6.327 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -11.266 -12.700 7.282 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -11.122 -14.718 5.941 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -12.506 -13.131 7.794 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -12.348 -15.158 6.455 1.00 0.00 C ATOM 1055 CZ TYR A 68 -13.060 -14.363 7.375 1.00 0.00 C ATOM 1056 OH TYR A 68 -14.260 -14.786 7.860 1.00 0.00 O ATOM 0 H TYR A 68 -6.817 -12.208 4.889 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.364 -12.453 7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.613 -11.970 5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.147 -13.606 4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.837 -11.769 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.584 -15.338 5.239 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.035 -12.518 8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.750 -16.111 6.145 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.487 -15.653 7.462 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.969 -14.089 6.521 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.086 -15.166 6.962 1.00 0.00 C ATOM 1068 C ASN A 69 -4.609 -14.768 8.352 1.00 0.00 C ATOM 1069 O ASN A 69 -4.963 -15.402 9.342 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.886 -15.369 6.013 1.00 0.00 C ATOM 1071 CG ASN A 69 -4.189 -16.217 4.781 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -3.409 -17.086 4.410 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -5.276 -15.955 4.080 1.00 0.00 N ATOM 0 H ASN A 69 -5.466 -13.301 6.115 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.619 -16.117 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.528 -14.393 5.687 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.074 -15.837 6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.470 -16.477 3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.922 -15.231 4.393 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.862 -13.665 8.450 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.449 -13.122 9.737 1.00 0.00 C ATOM 1082 C GLY A 70 -2.283 -12.154 9.643 1.00 0.00 C ATOM 1083 O GLY A 70 -2.219 -11.241 10.464 1.00 0.00 O ATOM 0 H GLY A 70 -3.532 -13.132 7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.297 -12.613 10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.175 -13.944 10.398 1.00 0.00 H new ATOM 1087 N THR A 71 -1.394 -12.323 8.665 1.00 0.00 N ATOM 1088 CA THR A 71 -0.141 -11.582 8.559 1.00 0.00 C ATOM 1089 C THR A 71 -0.449 -10.118 8.248 1.00 0.00 C ATOM 1090 O THR A 71 -0.230 -9.251 9.088 1.00 0.00 O ATOM 1091 CB THR A 71 0.768 -12.231 7.492 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.404 -13.583 7.249 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.254 -12.137 7.846 1.00 0.00 C ATOM 0 H THR A 71 -1.529 -12.994 7.909 1.00 0.00 H new ATOM 0 HA THR A 71 0.401 -11.617 9.504 1.00 0.00 H new ATOM 0 HB THR A 71 0.614 -11.659 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.997 -13.964 6.568 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.845 -12.609 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.541 -11.089 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.435 -12.646 8.793 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.998 -9.856 7.056 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.404 -8.518 6.675 1.00 0.00 C ATOM 1103 C ALA A 72 -2.530 -8.085 7.594 1.00 0.00 C ATOM 1104 O ALA A 72 -3.468 -8.849 7.822 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.816 -8.480 5.203 1.00 0.00 C ATOM 0 H ALA A 72 -1.168 -10.564 6.342 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.572 -7.821 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.118 -7.467 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.974 -8.784 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.651 -9.162 5.041 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.437 -6.866 8.111 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.388 -6.252 9.027 1.00 0.00 C ATOM 1113 C LYS A 73 -3.273 -4.748 8.840 1.00 0.00 C ATOM 1114 O LYS A 73 -2.208 -4.280 8.428 1.00 0.00 O ATOM 1115 CB LYS A 73 -2.988 -6.705 10.440 1.00 0.00 C ATOM 1116 CG LYS A 73 -3.717 -6.061 11.622 1.00 0.00 C ATOM 1117 CD LYS A 73 -5.226 -6.362 11.678 1.00 0.00 C ATOM 1118 CE LYS A 73 -5.623 -7.437 12.704 1.00 0.00 C ATOM 1119 NZ LYS A 73 -5.040 -8.776 12.466 1.00 0.00 N ATOM 0 H LYS A 73 -1.656 -6.248 7.891 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.425 -6.538 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.135 -7.783 10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.921 -6.521 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.256 -6.404 12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.576 -4.981 11.576 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.759 -5.440 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.557 -6.681 10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.324 -7.099 13.696 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.709 -7.527 12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.363 -9.432 13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.344 -9.127 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.002 -8.712 12.489 1.00 0.00 H new ATOM 1133 N MET A 74 -4.322 -3.982 9.146 1.00 0.00 N ATOM 1134 CA MET A 74 -4.190 -2.547 9.335 1.00 0.00 C ATOM 1135 C MET A 74 -4.138 -2.280 10.833 1.00 0.00 C ATOM 1136 O MET A 74 -4.952 -2.807 11.599 1.00 0.00 O ATOM 1137 CB MET A 74 -5.346 -1.802 8.672 1.00 0.00 C ATOM 1138 CG MET A 74 -5.329 -0.321 9.070 1.00 0.00 C ATOM 1139 SD MET A 74 -6.421 0.723 8.090 1.00 0.00 S ATOM 1140 CE MET A 74 -7.902 0.311 9.012 1.00 0.00 C ATOM 0 H MET A 74 -5.270 -4.337 9.267 1.00 0.00 H new ATOM 0 HA MET A 74 -3.277 -2.183 8.864 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.272 -1.894 7.588 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.294 -2.253 8.966 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.610 -0.236 10.120 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.310 0.055 8.981 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.750 0.860 8.602 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.092 -0.760 8.936 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.766 0.582 10.059 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.186 -1.437 11.217 1.00 0.00 N ATOM 1151 CA PHE A 75 -2.920 -1.037 12.592 1.00 0.00 C ATOM 1152 C PHE A 75 -2.908 0.491 12.754 1.00 0.00 C ATOM 1153 O PHE A 75 -2.719 0.987 13.864 1.00 0.00 O ATOM 1154 CB PHE A 75 -1.586 -1.660 13.022 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.395 -1.187 12.211 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.040 -1.834 11.006 1.00 0.00 C ATOM 1157 CD2 PHE A 75 0.342 -0.069 12.649 1.00 0.00 C ATOM 1158 CE1 PHE A 75 1.059 -1.378 10.255 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.439 0.378 11.899 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.807 -0.291 10.723 1.00 0.00 C ATOM 0 H PHE A 75 -2.553 -0.996 10.550 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.722 -1.399 13.236 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.411 -1.430 14.073 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.660 -2.744 12.941 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.614 -2.681 10.660 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.063 0.442 13.559 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.323 -1.862 9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.002 1.239 12.228 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.677 0.036 10.172 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.110 1.255 11.673 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.125 2.713 11.666 1.00 0.00 C ATOM 1172 C LYS A 76 -3.991 3.160 10.495 1.00 0.00 C ATOM 1173 O LYS A 76 -4.071 2.473 9.478 1.00 0.00 O ATOM 1174 CB LYS A 76 -1.673 3.232 11.553 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.598 4.747 11.321 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.167 5.291 11.356 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.231 6.817 11.207 1.00 0.00 C ATOM 1178 NZ LYS A 76 -0.428 7.498 12.504 1.00 0.00 N ATOM 0 H LYS A 76 -3.273 0.855 10.749 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.544 3.121 12.586 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.131 2.982 12.465 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.171 2.718 10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.046 4.983 10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.192 5.255 12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.320 5.021 12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.425 4.855 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.691 7.174 10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.046 7.080 10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.465 8.526 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.320 7.178 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.363 7.269 13.140 1.00 0.00 H new ATOM 1192 N SER A 77 -4.589 4.340 10.586 1.00 0.00 N ATOM 1193 CA SER A 77 -5.194 5.012 9.450 1.00 0.00 C ATOM 1194 C SER A 77 -4.941 6.516 9.617 1.00 0.00 C ATOM 1195 O SER A 77 -4.577 6.974 10.704 1.00 0.00 O ATOM 1196 CB SER A 77 -6.671 4.622 9.369 1.00 0.00 C ATOM 1197 OG SER A 77 -7.354 4.978 10.553 1.00 0.00 O ATOM 0 H SER A 77 -4.667 4.860 11.460 1.00 0.00 H new ATOM 0 HA SER A 77 -4.757 4.714 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.135 5.116 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.759 3.548 9.203 1.00 0.00 H new ATOM 0 HG SER A 77 -8.296 4.720 10.477 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.173 7.297 8.568 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.255 8.757 8.612 1.00 0.00 C ATOM 1205 C ASP A 78 -6.347 9.191 7.634 1.00 0.00 C ATOM 1206 O ASP A 78 -6.893 8.333 6.935 1.00 0.00 O ATOM 1207 CB ASP A 78 -3.890 9.373 8.275 1.00 0.00 C ATOM 1208 CG ASP A 78 -3.619 10.593 9.148 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -4.368 11.590 9.061 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -2.649 10.530 9.939 1.00 0.00 O ATOM 0 H ASP A 78 -5.314 6.921 7.630 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.514 9.108 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.105 8.632 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.864 9.659 7.224 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.719 10.466 7.582 1.00 0.00 N ATOM 1216 CA ALA A 79 -7.749 10.994 6.693 1.00 0.00 C ATOM 1217 C ALA A 79 -7.134 11.952 5.676 1.00 0.00 C ATOM 1218 O ALA A 79 -6.098 12.563 5.939 1.00 0.00 O ATOM 1219 CB ALA A 79 -8.829 11.679 7.529 1.00 0.00 C ATOM 0 H ALA A 79 -6.300 11.182 8.175 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.208 10.179 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.602 12.076 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.272 10.956 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.385 12.495 8.100 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.788 12.113 4.529 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.324 12.931 3.420 1.00 0.00 C ATOM 1227 C ILE A 80 -8.451 13.900 3.134 1.00 0.00 C ATOM 1228 O ILE A 80 -9.514 13.486 2.664 1.00 0.00 O ATOM 1229 CB ILE A 80 -7.002 12.080 2.174 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -6.094 10.881 2.505 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.344 12.974 1.104 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -6.059 9.876 1.352 1.00 0.00 C ATOM 0 H ILE A 80 -8.684 11.662 4.343 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.397 13.445 3.674 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.938 11.671 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.084 11.234 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.453 10.389 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.115 12.377 0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.028 13.778 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.424 13.401 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.410 9.041 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.066 9.506 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.676 10.364 0.456 1.00 0.00 H new ATOM 1244 N LEU A 81 -8.229 15.173 3.442 1.00 0.00 N ATOM 1245 CA LEU A 81 -9.131 16.227 3.020 1.00 0.00 C ATOM 1246 C LEU A 81 -8.646 16.737 1.664 1.00 0.00 C ATOM 1247 O LEU A 81 -7.442 16.841 1.415 1.00 0.00 O ATOM 1248 CB LEU A 81 -9.219 17.358 4.067 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.655 16.904 5.477 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.639 18.073 6.468 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -11.061 16.290 5.466 1.00 0.00 C ATOM 0 H LEU A 81 -7.428 15.496 3.985 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.145 15.837 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.245 17.841 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.922 18.111 3.710 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.936 16.147 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.951 17.721 7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.631 18.482 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.324 18.849 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.332 15.983 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.778 17.028 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.074 15.422 4.807 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.576 17.110 0.789 1.00 0.00 N ATOM 1264 CA GLY A 82 -9.308 18.102 -0.243 1.00 0.00 C ATOM 1265 C GLY A 82 -9.222 19.477 0.418 1.00 0.00 C ATOM 1266 O GLY A 82 -9.510 19.619 1.608 1.00 0.00 O ATOM 0 H GLY A 82 -10.525 16.737 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.376 17.870 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.098 18.091 -0.994 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.909 20.519 -0.348 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.766 21.906 0.117 1.00 0.00 C ATOM 1272 C GLN A 83 -10.071 22.541 0.644 1.00 0.00 C ATOM 1273 O GLN A 83 -10.145 23.750 0.849 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.202 22.755 -1.032 1.00 0.00 C ATOM 1275 CG GLN A 83 -6.797 22.330 -1.475 1.00 0.00 C ATOM 1276 CD GLN A 83 -6.174 23.230 -2.545 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -5.028 23.006 -2.939 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -6.875 24.231 -3.050 1.00 0.00 N ATOM 0 H GLN A 83 -8.740 20.422 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.088 21.882 0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.878 22.692 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.176 23.800 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.143 22.316 -0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.842 21.310 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.823 24.409 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.468 24.825 -3.772 1.00 0.00 H new ATOM 1287 N ASN A 84 -11.131 21.763 0.853 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.469 22.251 1.163 1.00 0.00 C ATOM 1289 C ASN A 84 -13.073 21.556 2.385 1.00 0.00 C ATOM 1290 O ASN A 84 -14.291 21.590 2.561 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.354 22.104 -0.081 1.00 0.00 C ATOM 1292 CG ASN A 84 -13.026 23.130 -1.153 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -13.485 24.265 -1.084 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.274 22.753 -2.173 1.00 0.00 N ATOM 0 H ASN A 84 -11.079 20.745 0.810 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.405 23.306 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.233 21.102 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.400 22.206 0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.065 23.412 -2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.903 21.804 -2.209 1.00 0.00 H new ATOM 1301 N LYS A 85 -12.255 20.910 3.224 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.690 20.000 4.289 1.00 0.00 C ATOM 1303 C LYS A 85 -13.621 18.922 3.733 1.00 0.00 C ATOM 1304 O LYS A 85 -14.657 18.603 4.308 1.00 0.00 O ATOM 1305 CB LYS A 85 -13.295 20.763 5.481 1.00 0.00 C ATOM 1306 CG LYS A 85 -12.370 21.855 6.032 1.00 0.00 C ATOM 1307 CD LYS A 85 -13.057 22.564 7.204 1.00 0.00 C ATOM 1308 CE LYS A 85 -12.370 23.891 7.524 1.00 0.00 C ATOM 1309 NZ LYS A 85 -11.055 23.732 8.172 1.00 0.00 N ATOM 0 H LYS A 85 -11.241 21.009 3.179 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.811 19.488 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.238 21.216 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.526 20.056 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.428 21.417 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.131 22.574 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.105 22.743 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.039 21.920 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.245 24.458 6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.018 24.479 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.645 24.669 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.170 23.217 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.421 23.197 7.544 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.249 18.375 2.581 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.937 17.289 1.906 1.00 0.00 C ATOM 1325 C VAL A 86 -13.115 16.020 2.106 1.00 0.00 C ATOM 1326 O VAL A 86 -12.017 15.941 1.560 1.00 0.00 O ATOM 1327 CB VAL A 86 -14.325 17.675 0.478 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -13.125 18.175 -0.287 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -15.032 16.537 -0.270 1.00 0.00 C ATOM 0 H VAL A 86 -12.424 18.693 2.073 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.913 17.073 2.340 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.047 18.488 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.425 18.444 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.713 19.051 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.368 17.392 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.285 16.866 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.371 15.672 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.943 16.263 0.261 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.561 15.069 2.932 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.837 13.817 3.166 1.00 0.00 C ATOM 1341 C VAL A 87 -12.923 12.917 1.924 1.00 0.00 C ATOM 1342 O VAL A 87 -13.716 11.980 1.836 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.218 13.191 4.522 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -14.697 12.807 4.684 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -12.295 12.016 4.868 1.00 0.00 C ATOM 0 H VAL A 87 -14.433 15.145 3.456 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.769 14.001 3.284 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.069 13.994 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -14.855 12.376 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.318 13.696 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -14.969 12.076 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -12.588 11.594 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.376 11.250 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.265 12.367 4.924 1.00 0.00 H new ATOM 1355 N ILE A 88 -12.100 13.233 0.926 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.992 12.529 -0.344 1.00 0.00 C ATOM 1357 C ILE A 88 -11.564 11.076 -0.128 1.00 0.00 C ATOM 1358 O ILE A 88 -12.008 10.189 -0.859 1.00 0.00 O ATOM 1359 CB ILE A 88 -11.049 13.292 -1.306 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.702 13.711 -0.668 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.796 14.528 -1.825 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.692 14.269 -1.681 1.00 0.00 C ATOM 0 H ILE A 88 -11.461 14.026 0.987 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.974 12.497 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.786 12.612 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.890 14.464 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.263 12.849 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.151 15.083 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.697 14.214 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.072 15.166 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.772 14.542 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.475 13.511 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.112 15.151 -2.165 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.751 10.803 0.891 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.306 9.454 1.187 1.00 0.00 C ATOM 1376 C GLY A 89 -9.614 9.374 2.536 1.00 0.00 C ATOM 1377 O GLY A 89 -9.651 10.315 3.332 1.00 0.00 O ATOM 0 H GLY A 89 -10.387 11.511 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.161 8.778 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.623 9.117 0.407 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.982 8.231 2.795 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.277 7.954 4.034 1.00 0.00 C ATOM 1383 C TRP A 90 -7.029 7.202 3.634 1.00 0.00 C ATOM 1384 O TRP A 90 -7.089 6.323 2.764 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.147 7.146 5.014 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.505 7.727 5.241 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.822 8.590 6.233 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.691 7.613 4.389 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.145 8.965 6.092 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.728 8.396 4.977 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -11.987 6.984 3.152 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.999 8.514 4.396 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.259 7.106 2.562 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.262 7.869 3.181 1.00 0.00 C ATOM 0 H TRP A 90 -8.948 7.458 2.131 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.029 8.873 4.566 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.256 6.130 4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.629 7.075 5.970 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.151 8.930 7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.633 9.588 6.735 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.224 6.403 2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.768 9.097 4.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.465 6.609 1.626 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.235 7.958 2.721 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.912 7.558 4.251 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.651 6.877 4.049 1.00 0.00 C ATOM 1407 C ASP A 91 -4.684 5.675 5.003 1.00 0.00 C ATOM 1408 O ASP A 91 -4.493 5.816 6.213 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.453 7.849 4.208 1.00 0.00 C ATOM 1410 CG ASP A 91 -3.063 8.547 2.885 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -3.104 7.902 1.809 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.723 9.756 2.912 1.00 0.00 O ATOM 0 H ASP A 91 -5.860 8.334 4.910 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.510 6.508 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.702 8.606 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.593 7.298 4.589 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.111 4.513 4.494 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.112 3.228 5.211 1.00 0.00 C ATOM 1419 C LYS A 92 -3.689 2.670 5.231 1.00 0.00 C ATOM 1420 O LYS A 92 -3.089 2.507 4.167 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.001 2.203 4.485 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.476 2.114 4.891 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.205 3.450 5.040 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.731 3.247 5.111 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.317 2.829 3.819 1.00 0.00 N ATOM 0 H LYS A 92 -5.476 4.437 3.545 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.489 3.396 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.961 2.423 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.556 1.218 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.003 1.515 4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.541 1.578 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.861 3.957 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.960 4.097 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.958 2.495 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.201 4.176 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.351 2.936 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.934 3.423 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.078 1.834 3.635 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.172 2.336 6.413 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.859 1.721 6.551 1.00 0.00 C ATOM 1441 C TYR A 93 -2.025 0.205 6.616 1.00 0.00 C ATOM 1442 O TYR A 93 -3.071 -0.282 7.035 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.143 2.269 7.799 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.709 3.725 7.689 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.662 4.741 7.487 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.658 4.066 7.733 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.272 6.062 7.232 1.00 0.00 C ATOM 1448 CE2 TYR A 93 1.055 5.399 7.526 1.00 0.00 C ATOM 1449 CZ TYR A 93 0.095 6.398 7.256 1.00 0.00 C ATOM 1450 OH TYR A 93 0.500 7.667 7.002 1.00 0.00 O ATOM 0 H TYR A 93 -3.654 2.485 7.299 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.239 1.965 5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.806 2.164 8.658 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.265 1.655 7.997 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.713 4.498 7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.399 3.305 7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.014 6.817 7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.102 5.660 7.574 1.00 0.00 H new ATOM 0 HH TYR A 93 1.335 7.846 7.483 1.00 0.00 H new ATOM 1460 N PHE A 94 -0.998 -0.562 6.247 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.045 -2.020 6.291 1.00 0.00 C ATOM 1462 C PHE A 94 0.325 -2.598 6.615 1.00 0.00 C ATOM 1463 O PHE A 94 1.342 -1.953 6.356 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.519 -2.580 4.945 1.00 0.00 C ATOM 1465 CG PHE A 94 -2.965 -2.268 4.615 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.011 -2.925 5.298 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.264 -1.274 3.665 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.352 -2.620 5.001 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.604 -0.963 3.389 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.647 -1.631 4.051 1.00 0.00 C ATOM 0 H PHE A 94 -0.111 -0.188 5.910 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.747 -2.306 7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.884 -2.181 4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.384 -3.662 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.781 -3.664 6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.468 -0.754 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.151 -3.145 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.836 -0.201 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.675 -1.384 3.829 1.00 0.00 H new ATOM 1480 N GLU A 95 0.331 -3.830 7.125 1.00 0.00 N ATOM 1481 CA GLU A 95 1.518 -4.569 7.537 1.00 0.00 C ATOM 1482 C GLU A 95 1.680 -5.863 6.734 1.00 0.00 C ATOM 1483 O GLU A 95 1.414 -6.948 7.246 1.00 0.00 O ATOM 1484 CB GLU A 95 1.363 -4.874 9.029 1.00 0.00 C ATOM 1485 CG GLU A 95 2.707 -5.321 9.591 1.00 0.00 C ATOM 1486 CD GLU A 95 2.669 -5.413 11.103 1.00 0.00 C ATOM 1487 OE1 GLU A 95 2.015 -6.353 11.599 1.00 0.00 O ATOM 1488 OE2 GLU A 95 3.372 -4.644 11.786 1.00 0.00 O ATOM 0 H GLU A 95 -0.529 -4.360 7.267 1.00 0.00 H new ATOM 0 HA GLU A 95 2.413 -3.975 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.010 -3.989 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.616 -5.654 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.974 -6.291 9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.483 -4.618 9.287 1.00 0.00 H new ATOM 1495 N ILE A 96 2.044 -5.782 5.460 1.00 0.00 N ATOM 1496 CA ILE A 96 2.145 -6.984 4.641 1.00 0.00 C ATOM 1497 C ILE A 96 3.506 -7.653 4.946 1.00 0.00 C ATOM 1498 O ILE A 96 4.469 -6.964 5.281 1.00 0.00 O ATOM 1499 CB ILE A 96 1.903 -6.636 3.151 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.548 -5.908 2.947 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.834 -7.879 2.249 1.00 0.00 C ATOM 1502 CD1 ILE A 96 0.651 -4.386 2.919 1.00 0.00 C ATOM 0 H ILE A 96 2.271 -4.912 4.978 1.00 0.00 H new ATOM 0 HA ILE A 96 1.371 -7.713 4.881 1.00 0.00 H new ATOM 0 HB ILE A 96 2.752 -6.008 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.104 -6.248 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.132 -6.200 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.663 -7.571 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.774 -8.427 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.016 -8.521 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.340 -3.957 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.064 -4.032 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.303 -4.080 2.101 1.00 0.00 H new ATOM 1514 N PRO A 97 3.619 -8.988 4.838 1.00 0.00 N ATOM 1515 CA PRO A 97 4.898 -9.675 4.715 1.00 0.00 C ATOM 1516 C PRO A 97 5.687 -9.243 3.476 1.00 0.00 C ATOM 1517 O PRO A 97 5.206 -8.512 2.612 1.00 0.00 O ATOM 1518 CB PRO A 97 4.550 -11.168 4.623 1.00 0.00 C ATOM 1519 CG PRO A 97 3.076 -11.208 4.261 1.00 0.00 C ATOM 1520 CD PRO A 97 2.532 -9.947 4.892 1.00 0.00 C ATOM 0 HA PRO A 97 5.537 -9.438 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.155 -11.668 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.738 -11.676 5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.926 -11.215 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.588 -12.099 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.659 -9.582 4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.217 -10.127 5.920 1.00 0.00 H new ATOM 1528 N MET A 98 6.876 -9.825 3.348 1.00 0.00 N ATOM 1529 CA MET A 98 7.723 -9.773 2.161 1.00 0.00 C ATOM 1530 C MET A 98 7.992 -11.158 1.587 1.00 0.00 C ATOM 1531 O MET A 98 8.814 -11.300 0.679 1.00 0.00 O ATOM 1532 CB MET A 98 9.076 -9.159 2.538 1.00 0.00 C ATOM 1533 CG MET A 98 9.029 -7.687 2.908 1.00 0.00 C ATOM 1534 SD MET A 98 10.660 -7.144 3.439 1.00 0.00 S ATOM 1535 CE MET A 98 10.274 -5.419 3.744 1.00 0.00 C ATOM 0 H MET A 98 7.294 -10.370 4.102 1.00 0.00 H new ATOM 0 HA MET A 98 7.199 -9.177 1.414 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.490 -9.717 3.378 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.762 -9.287 1.701 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.699 -7.097 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.304 -7.525 3.705 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.145 -4.921 4.170 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.003 -4.935 2.806 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.439 -5.351 4.442 1.00 0.00 H new ATOM 1545 N ASP A 99 7.338 -12.184 2.118 1.00 0.00 N ATOM 1546 CA ASP A 99 7.622 -13.573 1.788 1.00 0.00 C ATOM 1547 C ASP A 99 6.319 -14.336 1.574 1.00 0.00 C ATOM 1548 O ASP A 99 6.330 -15.572 1.550 1.00 0.00 O ATOM 1549 CB ASP A 99 8.496 -14.183 2.904 1.00 0.00 C ATOM 1550 CG ASP A 99 9.853 -14.634 2.389 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.910 -15.531 1.513 1.00 0.00 O ATOM 1552 OD2 ASP A 99 10.869 -14.151 2.930 1.00 0.00 O ATOM 0 H ASP A 99 6.586 -12.072 2.798 1.00 0.00 H new ATOM 0 HA ASP A 99 8.180 -13.641 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.636 -13.448 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.976 -15.033 3.346 1.00 0.00 H new ATOM 1557 N ALA A 100 5.175 -13.637 1.430 1.00 0.00 N ATOM 1558 CA ALA A 100 3.892 -14.336 1.333 1.00 0.00 C ATOM 1559 C ALA A 100 3.130 -13.920 0.087 1.00 0.00 C ATOM 1560 O ALA A 100 1.964 -14.285 -0.078 1.00 0.00 O ATOM 1561 CB ALA A 100 3.070 -14.138 2.602 1.00 0.00 C ATOM 0 H ALA A 100 5.118 -12.620 1.380 1.00 0.00 H new ATOM 0 HA ALA A 100 4.091 -15.403 1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.121 -14.666 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.620 -14.531 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.880 -13.075 2.750 1.00 0.00 H new ATOM 1567 N LEU A 101 3.780 -13.131 -0.759 1.00 0.00 N ATOM 1568 CA LEU A 101 3.300 -12.659 -2.027 1.00 0.00 C ATOM 1569 C LEU A 101 3.648 -13.680 -3.095 1.00 0.00 C ATOM 1570 O LEU A 101 4.645 -14.393 -2.985 1.00 0.00 O ATOM 1571 CB LEU A 101 4.018 -11.339 -2.318 1.00 0.00 C ATOM 1572 CG LEU A 101 3.934 -10.305 -1.199 1.00 0.00 C ATOM 1573 CD1 LEU A 101 2.496 -9.980 -0.790 1.00 0.00 C ATOM 1574 CD2 LEU A 101 4.876 -10.539 -0.034 1.00 0.00 C ATOM 0 H LEU A 101 4.718 -12.788 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 101 2.220 -12.514 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.068 -11.550 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.599 -10.906 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 101 4.323 -9.390 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.504 -9.239 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.955 -9.582 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.004 -10.887 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.740 -9.752 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.660 -11.506 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.906 -10.528 -0.391 1.00 0.00 H new ATOM 1586 N GLN A 102 2.825 -13.736 -4.136 1.00 0.00 N ATOM 1587 CA GLN A 102 3.040 -14.625 -5.277 1.00 0.00 C ATOM 1588 C GLN A 102 4.372 -14.412 -6.012 1.00 0.00 C ATOM 1589 O GLN A 102 4.783 -15.274 -6.789 1.00 0.00 O ATOM 1590 CB GLN A 102 1.877 -14.460 -6.264 1.00 0.00 C ATOM 1591 CG GLN A 102 1.724 -15.729 -7.081 1.00 0.00 C ATOM 1592 CD GLN A 102 0.650 -15.615 -8.153 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.953 -15.290 -9.295 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.610 -15.838 -7.799 1.00 0.00 N ATOM 0 H GLN A 102 1.984 -13.164 -4.215 1.00 0.00 H new ATOM 0 HA GLN A 102 3.085 -15.636 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.954 -14.249 -5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.062 -13.611 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.677 -15.969 -7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.480 -16.557 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.830 -16.107 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.358 -15.740 -8.486 1.00 0.00 H new ATOM 1603 N ASP A 103 4.999 -13.266 -5.814 1.00 0.00 N ATOM 1604 CA ASP A 103 6.228 -12.843 -6.488 1.00 0.00 C ATOM 1605 C ASP A 103 6.979 -11.874 -5.571 1.00 0.00 C ATOM 1606 O ASP A 103 6.422 -11.486 -4.543 1.00 0.00 O ATOM 1607 CB ASP A 103 5.869 -12.161 -7.816 1.00 0.00 C ATOM 1608 CG ASP A 103 6.954 -12.272 -8.887 1.00 0.00 C ATOM 1609 OD1 ASP A 103 8.161 -12.261 -8.573 1.00 0.00 O ATOM 1610 OD2 ASP A 103 6.568 -12.330 -10.077 1.00 0.00 O ATOM 0 H ASP A 103 4.656 -12.570 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 103 6.864 -13.703 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.948 -12.600 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.666 -11.107 -7.628 1.00 0.00 H new ATOM 1615 N ASN A 104 8.170 -11.395 -5.940 1.00 0.00 N ATOM 1616 CA ASN A 104 8.929 -10.371 -5.210 1.00 0.00 C ATOM 1617 C ASN A 104 8.258 -8.982 -5.295 1.00 0.00 C ATOM 1618 O ASN A 104 8.928 -7.961 -5.130 1.00 0.00 O ATOM 1619 CB ASN A 104 10.390 -10.315 -5.716 1.00 0.00 C ATOM 1620 CG ASN A 104 11.297 -11.347 -5.065 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.885 -12.444 -4.699 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.547 -10.969 -4.874 1.00 0.00 N ATOM 0 H ASN A 104 8.649 -11.718 -6.781 1.00 0.00 H new ATOM 0 HA ASN A 104 8.937 -10.656 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.398 -10.465 -6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.793 -9.320 -5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.204 -11.596 -4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.856 -10.050 -5.191 1.00 0.00 H new ATOM 1629 N SER A 105 6.955 -8.895 -5.570 1.00 0.00 N ATOM 1630 CA SER A 105 6.237 -7.637 -5.684 1.00 0.00 C ATOM 1631 C SER A 105 4.981 -7.666 -4.827 1.00 0.00 C ATOM 1632 O SER A 105 4.182 -8.605 -4.883 1.00 0.00 O ATOM 1633 CB SER A 105 5.975 -7.261 -7.154 1.00 0.00 C ATOM 1634 OG SER A 105 5.701 -8.370 -7.988 1.00 0.00 O ATOM 0 H SER A 105 6.365 -9.713 -5.721 1.00 0.00 H new ATOM 0 HA SER A 105 6.864 -6.836 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.134 -6.569 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.844 -6.731 -7.544 1.00 0.00 H new ATOM 0 HG SER A 105 6.492 -8.575 -8.529 1.00 0.00 H new ATOM 1640 N ILE A 106 4.810 -6.627 -4.013 1.00 0.00 N ATOM 1641 CA ILE A 106 3.588 -6.419 -3.252 1.00 0.00 C ATOM 1642 C ILE A 106 2.521 -5.963 -4.273 1.00 0.00 C ATOM 1643 O ILE A 106 2.851 -5.349 -5.297 1.00 0.00 O ATOM 1644 CB ILE A 106 3.922 -5.407 -2.121 1.00 0.00 C ATOM 1645 CG1 ILE A 106 3.023 -5.489 -0.871 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.083 -3.954 -2.602 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.523 -5.219 -1.037 1.00 0.00 C ATOM 0 H ILE A 106 5.517 -5.907 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 106 3.188 -7.301 -2.752 1.00 0.00 H new ATOM 0 HB ILE A 106 4.905 -5.747 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.136 -6.486 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.409 -4.782 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.315 -3.313 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.893 -3.899 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.155 -3.620 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.027 -5.314 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.375 -4.210 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.099 -5.940 -1.735 1.00 0.00 H new ATOM 1659 N GLN A 107 1.234 -6.196 -4.008 1.00 0.00 N ATOM 1660 CA GLN A 107 0.122 -5.534 -4.686 1.00 0.00 C ATOM 1661 C GLN A 107 -1.094 -5.574 -3.754 1.00 0.00 C ATOM 1662 O GLN A 107 -1.308 -6.594 -3.094 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.172 -6.273 -6.006 1.00 0.00 C ATOM 1664 CG GLN A 107 -0.914 -5.383 -7.011 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.381 -6.117 -8.263 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -1.019 -7.260 -8.521 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.282 -5.511 -9.016 1.00 0.00 N ATOM 0 H GLN A 107 0.931 -6.865 -3.300 1.00 0.00 H new ATOM 0 HA GLN A 107 0.363 -4.497 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.765 -6.614 -6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.769 -7.161 -5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.779 -4.940 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.260 -4.562 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.577 -4.560 -8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.683 -5.994 -9.820 1.00 0.00 H new ATOM 1676 N ILE A 108 -1.919 -4.525 -3.746 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.192 -4.456 -3.020 1.00 0.00 C ATOM 1678 C ILE A 108 -4.302 -4.384 -4.080 1.00 0.00 C ATOM 1679 O ILE A 108 -4.048 -4.083 -5.248 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.163 -3.255 -2.031 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.128 -3.526 -0.909 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.541 -2.956 -1.408 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -1.863 -2.340 0.029 1.00 0.00 C ATOM 0 H ILE A 108 -1.713 -3.670 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.378 -5.331 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.877 -2.375 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.473 -4.371 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.186 -3.824 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.457 -2.109 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.253 -2.718 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.889 -3.830 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.126 -2.627 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.484 -1.497 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.791 -2.053 0.523 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.540 -4.716 -3.719 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.708 -4.526 -4.574 1.00 0.00 C ATOM 1697 C LYS A 109 -7.950 -4.415 -3.686 1.00 0.00 C ATOM 1698 O LYS A 109 -7.888 -4.790 -2.513 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.821 -5.704 -5.561 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.859 -7.113 -4.927 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.726 -8.049 -5.375 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.325 -7.452 -5.168 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.278 -8.419 -5.524 1.00 0.00 N ATOM 0 H LYS A 109 -5.762 -5.129 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.614 -3.611 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.725 -5.570 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.977 -5.659 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.819 -7.010 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.814 -7.580 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.799 -8.986 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.859 -8.289 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.216 -6.554 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.206 -7.149 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.451 -8.277 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.641 -9.386 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.000 -8.280 -6.517 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.066 -3.894 -4.193 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.293 -3.802 -3.416 1.00 0.00 C ATOM 1719 C ALA A 110 -11.537 -3.670 -4.305 1.00 0.00 C ATOM 1720 O ALA A 110 -11.453 -3.184 -5.434 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.167 -2.598 -2.477 1.00 0.00 C ATOM 0 H ALA A 110 -9.142 -3.529 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.424 -4.722 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.075 -2.505 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.312 -2.740 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.024 -1.691 -3.065 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.692 -4.062 -3.761 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.021 -3.881 -4.349 1.00 0.00 C ATOM 1729 C LEU A 111 -14.439 -2.424 -4.182 1.00 0.00 C ATOM 1730 O LEU A 111 -14.433 -1.916 -3.059 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.009 -4.798 -3.607 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.503 -4.497 -3.851 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.965 -4.752 -5.282 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.325 -5.369 -2.914 1.00 0.00 C ATOM 0 H LEU A 111 -12.727 -4.535 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.012 -4.133 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.811 -5.829 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.811 -4.727 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.645 -3.433 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -18.026 -4.516 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.396 -4.122 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.804 -5.800 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.386 -5.172 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.117 -6.419 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.062 -5.142 -1.881 1.00 0.00 H new ATOM 1746 N SER A 112 -14.886 -1.784 -5.258 1.00 0.00 N ATOM 1747 CA SER A 112 -15.266 -0.375 -5.268 1.00 0.00 C ATOM 1748 C SER A 112 -16.775 -0.213 -5.419 1.00 0.00 C ATOM 1749 O SER A 112 -17.471 0.118 -4.461 1.00 0.00 O ATOM 1750 CB SER A 112 -14.524 0.365 -6.387 1.00 0.00 C ATOM 1751 OG SER A 112 -13.130 0.260 -6.212 1.00 0.00 O ATOM 0 H SER A 112 -14.996 -2.238 -6.164 1.00 0.00 H new ATOM 0 HA SER A 112 -14.981 0.063 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.807 -0.050 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.817 1.415 -6.393 1.00 0.00 H new ATOM 0 HG SER A 112 -12.721 1.146 -6.305 1.00 0.00 H new ATOM 1757 N SER A 113 -17.242 -0.430 -6.640 1.00 0.00 N ATOM 1758 CA SER A 113 -18.586 -0.247 -7.153 1.00 0.00 C ATOM 1759 C SER A 113 -19.167 -1.651 -7.398 1.00 0.00 C ATOM 1760 O SER A 113 -18.460 -2.644 -7.186 1.00 0.00 O ATOM 1761 CB SER A 113 -18.433 0.660 -8.393 1.00 0.00 C ATOM 1762 OG SER A 113 -19.555 0.726 -9.238 1.00 0.00 O ATOM 0 H SER A 113 -16.620 -0.775 -7.371 1.00 0.00 H new ATOM 0 HA SER A 113 -19.295 0.246 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.194 1.669 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 113 -17.582 0.308 -8.976 1.00 0.00 H new ATOM 0 HG SER A 113 -19.363 1.323 -9.991 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.441 -1.752 -7.789 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.135 -3.023 -7.964 1.00 0.00 C ATOM 1770 C GLY A 114 -20.289 -4.019 -8.732 1.00 0.00 C ATOM 1771 O GLY A 114 -19.923 -3.772 -9.882 1.00 0.00 O ATOM 0 H GLY A 114 -21.023 -0.940 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.389 -3.437 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -22.073 -2.856 -8.494 1.00 0.00 H new ATOM 1775 N THR A 115 -19.999 -5.148 -8.090 1.00 0.00 N ATOM 1776 CA THR A 115 -19.367 -6.310 -8.692 1.00 0.00 C ATOM 1777 C THR A 115 -17.958 -6.066 -9.271 1.00 0.00 C ATOM 1778 O THR A 115 -17.447 -6.943 -9.971 1.00 0.00 O ATOM 1779 CB THR A 115 -20.316 -6.976 -9.718 1.00 0.00 C ATOM 1780 OG1 THR A 115 -21.667 -6.533 -9.659 1.00 0.00 O ATOM 1781 CG2 THR A 115 -20.366 -8.481 -9.479 1.00 0.00 C ATOM 0 H THR A 115 -20.207 -5.279 -7.100 1.00 0.00 H new ATOM 0 HA THR A 115 -19.190 -7.004 -7.871 1.00 0.00 H new ATOM 0 HB THR A 115 -19.900 -6.700 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 115 -22.195 -7.001 -10.339 1.00 0.00 H new ATOM 0 HG21 THR A 115 -21.036 -8.943 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 115 -19.366 -8.900 -9.590 1.00 0.00 H new ATOM 0 HG23 THR A 115 -20.732 -8.677 -8.471 1.00 0.00 H new ATOM 1789 N THR A 116 -17.301 -4.933 -9.013 1.00 0.00 N ATOM 1790 CA THR A 116 -16.073 -4.564 -9.694 1.00 0.00 C ATOM 1791 C THR A 116 -14.898 -4.936 -8.791 1.00 0.00 C ATOM 1792 O THR A 116 -15.090 -5.364 -7.650 1.00 0.00 O ATOM 1793 CB THR A 116 -16.146 -3.061 -10.028 1.00 0.00 C ATOM 1794 OG1 THR A 116 -15.339 -2.793 -11.143 1.00 0.00 O ATOM 1795 CG2 THR A 116 -15.661 -2.156 -8.891 1.00 0.00 C ATOM 0 H THR A 116 -17.612 -4.249 -8.323 1.00 0.00 H new ATOM 0 HA THR A 116 -15.935 -5.097 -10.635 1.00 0.00 H new ATOM 0 HB THR A 116 -17.198 -2.845 -10.211 1.00 0.00 H new ATOM 0 HG1 THR A 116 -15.385 -1.838 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 116 -15.741 -1.113 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 116 -16.275 -2.323 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 116 -14.621 -2.388 -8.660 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.674 -4.738 -9.257 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.481 -4.735 -8.441 1.00 0.00 C ATOM 1805 C PHE A 117 -11.469 -3.787 -9.087 1.00 0.00 C ATOM 1806 O PHE A 117 -11.187 -3.887 -10.285 1.00 0.00 O ATOM 1807 CB PHE A 117 -11.973 -6.175 -8.337 1.00 0.00 C ATOM 1808 CG PHE A 117 -11.869 -6.663 -6.909 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -12.990 -7.252 -6.304 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -10.682 -6.495 -6.177 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -12.935 -7.681 -4.967 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -10.621 -6.925 -4.836 1.00 0.00 C ATOM 1813 CZ PHE A 117 -11.747 -7.517 -4.236 1.00 0.00 C ATOM 0 H PHE A 117 -13.484 -4.570 -10.245 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.666 -4.379 -7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.643 -6.832 -8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.994 -6.244 -8.811 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -13.901 -7.376 -6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -9.820 -6.038 -6.640 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -13.800 -8.134 -4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.710 -6.800 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.698 -7.847 -3.209 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.937 -2.847 -8.310 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.766 -2.079 -8.709 1.00 0.00 C ATOM 1825 C VAL A 118 -8.587 -2.838 -8.121 1.00 0.00 C ATOM 1826 O VAL A 118 -8.663 -3.373 -7.010 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.850 -0.614 -8.218 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -8.708 0.271 -8.756 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -11.159 0.036 -8.695 1.00 0.00 C ATOM 0 H VAL A 118 -11.305 -2.599 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.674 -1.991 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.787 -0.670 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.824 1.286 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.750 -0.132 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.742 0.286 -9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.203 1.066 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.195 0.024 -9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.008 -0.521 -8.298 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.484 -2.861 -8.854 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.222 -3.406 -8.399 1.00 0.00 C ATOM 1841 C TYR A 119 -5.233 -2.250 -8.415 1.00 0.00 C ATOM 1842 O TYR A 119 -5.323 -1.367 -9.273 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.795 -4.585 -9.291 1.00 0.00 C ATOM 1844 CG TYR A 119 -6.889 -5.598 -9.606 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -7.745 -5.377 -10.695 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -7.073 -6.748 -8.819 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -8.800 -6.261 -10.977 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -8.124 -7.643 -9.083 1.00 0.00 C ATOM 1849 CZ TYR A 119 -8.997 -7.401 -10.169 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.051 -8.228 -10.411 1.00 0.00 O ATOM 0 H TYR A 119 -7.445 -2.491 -9.804 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.284 -3.818 -7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.411 -4.187 -10.230 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.970 -5.106 -8.805 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.591 -4.514 -11.326 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.397 -6.947 -8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -9.459 -6.068 -11.811 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.265 -8.513 -8.458 1.00 0.00 H new ATOM 0 HH TYR A 119 -10.043 -8.966 -9.766 1.00 0.00 H new ATOM 1860 N SER A 120 -4.329 -2.210 -7.441 1.00 0.00 N ATOM 1861 CA SER A 120 -3.276 -1.214 -7.427 1.00 0.00 C ATOM 1862 C SER A 120 -2.218 -1.600 -8.464 1.00 0.00 C ATOM 1863 O SER A 120 -2.209 -2.738 -8.938 1.00 0.00 O ATOM 1864 CB SER A 120 -2.726 -1.144 -5.999 1.00 0.00 C ATOM 1865 OG SER A 120 -1.781 -2.168 -5.703 1.00 0.00 O ATOM 0 H SER A 120 -4.309 -2.858 -6.654 1.00 0.00 H new ATOM 0 HA SER A 120 -3.635 -0.222 -7.699 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.257 -0.172 -5.846 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.555 -1.212 -5.295 1.00 0.00 H new ATOM 0 HG SER A 120 -0.973 -2.033 -6.241 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.251 -0.722 -8.729 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.063 -1.143 -9.472 1.00 0.00 C ATOM 1873 C GLN A 121 0.735 -2.196 -8.684 1.00 0.00 C ATOM 1874 O GLN A 121 0.577 -2.330 -7.463 1.00 0.00 O ATOM 1875 CB GLN A 121 0.819 0.051 -9.860 1.00 0.00 C ATOM 1876 CG GLN A 121 1.521 0.766 -8.703 1.00 0.00 C ATOM 1877 CD GLN A 121 0.642 1.764 -7.977 1.00 0.00 C ATOM 1878 OE1 GLN A 121 -0.212 1.441 -7.159 1.00 0.00 O ATOM 1879 NE2 GLN A 121 0.826 3.031 -8.257 1.00 0.00 N ATOM 0 H GLN A 121 -1.263 0.259 -8.450 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.403 -1.604 -10.399 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.578 -0.295 -10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.202 0.777 -10.390 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.875 0.022 -7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.400 1.283 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 121 1.535 3.305 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 121 0.260 3.743 -7.795 1.00 0.00 H new ATOM 1888 N LYS A 122 1.623 -2.907 -9.381 1.00 0.00 N ATOM 1889 CA LYS A 122 2.555 -3.913 -8.860 1.00 0.00 C ATOM 1890 C LYS A 122 3.928 -3.246 -8.697 1.00 0.00 C ATOM 1891 O LYS A 122 4.258 -2.376 -9.500 1.00 0.00 O ATOM 1892 CB LYS A 122 2.595 -5.072 -9.875 1.00 0.00 C ATOM 1893 CG LYS A 122 3.376 -6.303 -9.390 1.00 0.00 C ATOM 1894 CD LYS A 122 3.353 -7.432 -10.437 1.00 0.00 C ATOM 1895 CE LYS A 122 4.477 -7.275 -11.473 1.00 0.00 C ATOM 1896 NZ LYS A 122 4.367 -8.271 -12.562 1.00 0.00 N ATOM 0 H LYS A 122 1.718 -2.789 -10.390 1.00 0.00 H new ATOM 0 HA LYS A 122 2.250 -4.306 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.573 -5.372 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.042 -4.714 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.408 -6.021 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.947 -6.663 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.453 -8.395 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.389 -7.436 -10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.444 -6.271 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.443 -7.382 -10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.143 -8.131 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.424 -9.230 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.456 -8.153 -13.050 1.00 0.00 H new ATOM 1910 N ILE A 123 4.688 -3.604 -7.654 1.00 0.00 N ATOM 1911 CA ILE A 123 5.937 -2.947 -7.270 1.00 0.00 C ATOM 1912 C ILE A 123 6.877 -4.028 -6.738 1.00 0.00 C ATOM 1913 O ILE A 123 6.745 -4.487 -5.601 1.00 0.00 O ATOM 1914 CB ILE A 123 5.655 -1.829 -6.215 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.629 -0.748 -6.638 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.928 -1.106 -5.744 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.086 0.219 -7.733 1.00 0.00 C ATOM 0 H ILE A 123 4.441 -4.380 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 123 6.406 -2.453 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 123 5.216 -2.404 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.723 -1.249 -6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.360 -0.166 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.663 -0.342 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.607 -1.826 -5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.417 -0.637 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.288 0.930 -7.947 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.971 0.758 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.325 -0.341 -8.637 1.00 0.00 H new ATOM 1929 N ASP A 124 7.788 -4.458 -7.605 1.00 0.00 N ATOM 1930 CA ASP A 124 8.878 -5.401 -7.354 1.00 0.00 C ATOM 1931 C ASP A 124 9.926 -4.763 -6.453 1.00 0.00 C ATOM 1932 O ASP A 124 10.454 -3.697 -6.779 1.00 0.00 O ATOM 1933 CB ASP A 124 9.555 -5.735 -8.686 1.00 0.00 C ATOM 1934 CG ASP A 124 9.113 -6.980 -9.462 1.00 0.00 C ATOM 1935 OD1 ASP A 124 8.607 -7.981 -8.906 1.00 0.00 O ATOM 1936 OD2 ASP A 124 9.307 -6.904 -10.699 1.00 0.00 O ATOM 0 H ASP A 124 7.786 -4.134 -8.572 1.00 0.00 H new ATOM 0 HA ASP A 124 8.471 -6.294 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 124 9.425 -4.876 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.624 -5.831 -8.495 1.00 0.00 H new ATOM 1941 N PHE A 125 10.312 -5.446 -5.385 1.00 0.00 N ATOM 1942 CA PHE A 125 11.396 -5.064 -4.488 1.00 0.00 C ATOM 1943 C PHE A 125 12.404 -6.214 -4.359 1.00 0.00 C ATOM 1944 O PHE A 125 12.263 -7.272 -4.984 1.00 0.00 O ATOM 1945 CB PHE A 125 10.793 -4.601 -3.140 1.00 0.00 C ATOM 1946 CG PHE A 125 10.100 -5.683 -2.328 1.00 0.00 C ATOM 1947 CD1 PHE A 125 8.792 -6.111 -2.649 1.00 0.00 C ATOM 1948 CD2 PHE A 125 10.762 -6.245 -1.221 1.00 0.00 C ATOM 1949 CE1 PHE A 125 8.187 -7.147 -1.920 1.00 0.00 C ATOM 1950 CE2 PHE A 125 10.153 -7.260 -0.475 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.876 -7.724 -0.838 1.00 0.00 C ATOM 0 H PHE A 125 9.861 -6.318 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 125 11.959 -4.222 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.590 -4.171 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.076 -3.804 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 125 8.255 -5.639 -3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 125 11.745 -5.891 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 125 7.201 -7.498 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 125 10.662 -7.686 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.421 -8.530 -0.281 1.00 0.00 H new ATOM 1961 N GLU A 126 13.450 -5.989 -3.573 1.00 0.00 N ATOM 1962 CA GLU A 126 14.478 -6.961 -3.227 1.00 0.00 C ATOM 1963 C GLU A 126 14.454 -7.139 -1.725 1.00 0.00 C ATOM 1964 O GLU A 126 14.115 -6.198 -1.006 1.00 0.00 O ATOM 1965 CB GLU A 126 15.823 -6.615 -3.888 1.00 0.00 C ATOM 1966 CG GLU A 126 16.104 -7.449 -5.134 1.00 0.00 C ATOM 1967 CD GLU A 126 16.642 -8.840 -4.776 1.00 0.00 C ATOM 1968 OE1 GLU A 126 15.816 -9.732 -4.463 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.874 -9.045 -4.876 1.00 0.00 O ATOM 0 H GLU A 126 13.611 -5.080 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 126 14.283 -7.950 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.830 -5.558 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.626 -6.766 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.189 -7.552 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.827 -6.930 -5.764 1.00 0.00 H new ATOM 1976 N ARG A 127 14.711 -8.374 -1.282 1.00 0.00 N ATOM 1977 CA ARG A 127 14.775 -8.767 0.114 1.00 0.00 C ATOM 1978 C ARG A 127 16.247 -8.803 0.486 1.00 0.00 C ATOM 1979 O ARG A 127 16.984 -9.659 0.001 1.00 0.00 O ATOM 1980 CB ARG A 127 14.111 -10.133 0.355 1.00 0.00 C ATOM 1981 CG ARG A 127 12.579 -10.093 0.428 1.00 0.00 C ATOM 1982 CD ARG A 127 11.853 -10.184 -0.919 1.00 0.00 C ATOM 1983 NE ARG A 127 12.196 -11.416 -1.640 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.728 -12.661 -1.430 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.878 -12.925 -0.443 1.00 0.00 N ATOM 1986 NH2 ARG A 127 12.105 -13.671 -2.204 1.00 0.00 N ATOM 0 H ARG A 127 14.886 -9.152 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 127 14.228 -8.057 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.406 -10.812 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.495 -10.550 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.241 -10.914 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.280 -9.168 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.776 -10.147 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.112 -9.320 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 127 12.874 -11.316 -2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.566 -12.176 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.537 -13.876 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.758 -13.510 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.742 -14.608 -2.032 1.00 0.00 H new ATOM 2000 N GLU A 128 16.649 -7.813 1.272 1.00 0.00 N ATOM 2001 CA GLU A 128 17.974 -7.632 1.835 1.00 0.00 C ATOM 2002 C GLU A 128 18.418 -8.890 2.574 1.00 0.00 C ATOM 2003 O GLU A 128 19.528 -9.372 2.268 1.00 0.00 O ATOM 2004 CB GLU A 128 17.948 -6.419 2.781 1.00 0.00 C ATOM 2005 CG GLU A 128 19.348 -5.988 3.222 1.00 0.00 C ATOM 2006 CD GLU A 128 20.084 -5.084 2.220 1.00 0.00 C ATOM 2007 OE1 GLU A 128 19.740 -3.888 2.089 1.00 0.00 O ATOM 2008 OE2 GLU A 128 21.035 -5.550 1.544 1.00 0.00 O ATOM 0 H GLU A 128 16.012 -7.066 1.550 1.00 0.00 H new ATOM 0 HA GLU A 128 18.692 -7.451 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 128 17.455 -5.584 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.352 -6.662 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 128 19.269 -5.464 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 128 19.950 -6.880 3.397 1.00 0.00 H new TER 2015 GLU A 128