USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 639 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 96 THR OG1 : rot 87:sc= 0.886 USER MOD Set 1.2: A 98 THR OG1 : rot 171:sc= 0.57 USER MOD Set 2.1: A 52 THR OG1 : rot 31:sc= 0.811 USER MOD Set 2.2: A 54 THR OG1 : rot 88:sc= -1.28 USER MOD Single : A 3 HIS : no HE2:sc= 0.78 K(o=0.78,f=-5.5!) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.0327 (180deg=-0.38) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0832 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -0.0301 (180deg=-0.229) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.25) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0054 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.71) USER MOD Single : A 36 TYR OH : rot 155:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.48) USER MOD Single : A 40 ASN : amide:sc= 0.667 K(o=0.67,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 48 TYR OH : rot -141:sc= -1.03 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -0.0527 (180deg=-0.371) USER MOD Single : A 55 TYR OH : rot 68:sc= 0.869 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -142:sc= -0.322 (180deg=-1.27!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.207 USER MOD Single : A 84 THR OG1 : rot 170:sc= -0.0552 USER MOD Single : A 85 SER OG : rot 76:sc= 1.31 USER MOD Single : A 90 TYR OH : rot 15:sc= -0.453 USER MOD Single : A 94 HIS : no HE2:sc= 0.827 K(o=0.83,f=-4.5!) USER MOD Single : A 95 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 99 THR OG1 : rot 43:sc= 0.0428 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.589 6.180 -0.623 1.00 0.62 N ATOM 22 CA HIS A 3 -36.469 5.257 -0.501 1.00 0.44 C ATOM 23 C HIS A 3 -35.652 5.286 -1.797 1.00 0.40 C ATOM 24 O HIS A 3 -36.199 5.018 -2.870 1.00 0.53 O ATOM 25 CB HIS A 3 -36.969 3.826 -0.244 1.00 0.55 C ATOM 26 CG HIS A 3 -37.725 3.652 1.044 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.753 2.464 1.743 1.00 1.55 N ATOM 28 CD2 HIS A 3 -38.497 4.511 1.751 1.00 1.91 C ATOM 29 CE1 HIS A 3 -38.503 2.603 2.817 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.965 3.835 2.845 1.00 2.50 N ATOM 0 HA HIS A 3 -35.849 5.564 0.341 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.612 3.525 -1.071 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -36.114 3.150 -0.243 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -37.268 1.609 1.471 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -38.705 5.540 1.498 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.705 1.836 3.550 1.00 2.22 H new ATOM 39 N MET A 4 -34.370 5.645 -1.730 1.00 0.38 N ATOM 40 CA MET A 4 -33.551 5.695 -2.929 1.00 0.41 C ATOM 41 C MET A 4 -32.550 4.542 -2.921 1.00 0.37 C ATOM 42 O MET A 4 -32.033 4.166 -1.867 1.00 0.43 O ATOM 43 CB MET A 4 -32.836 7.052 -3.048 1.00 0.54 C ATOM 44 CG MET A 4 -31.780 7.296 -1.990 1.00 1.29 C ATOM 45 SD MET A 4 -30.865 8.828 -2.272 1.00 1.92 S ATOM 46 CE MET A 4 -32.157 10.040 -2.021 1.00 2.06 C ATOM 0 H MET A 4 -33.887 5.901 -0.869 1.00 0.38 H new ATOM 0 HA MET A 4 -34.196 5.588 -3.801 1.00 0.41 H new ATOM 0 HB2 MET A 4 -32.370 7.119 -4.031 1.00 0.54 H new ATOM 0 HB3 MET A 4 -33.579 7.847 -2.993 1.00 0.54 H new ATOM 0 HG2 MET A 4 -32.254 7.334 -1.009 1.00 1.29 H new ATOM 0 HG3 MET A 4 -31.084 6.457 -1.975 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.710 11.024 -1.878 1.00 2.06 H new ATOM 0 HE2 MET A 4 -32.810 10.062 -2.893 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.739 9.774 -1.139 1.00 2.06 H new ATOM 56 N GLN A 5 -32.368 3.914 -4.076 1.00 0.34 N ATOM 57 CA GLN A 5 -31.456 2.787 -4.203 1.00 0.33 C ATOM 58 C GLN A 5 -29.995 3.230 -4.086 1.00 0.29 C ATOM 59 O GLN A 5 -29.587 4.236 -4.672 1.00 0.49 O ATOM 60 CB GLN A 5 -31.685 2.086 -5.544 1.00 0.44 C ATOM 61 CG GLN A 5 -30.749 0.914 -5.798 1.00 0.53 C ATOM 62 CD GLN A 5 -30.935 0.312 -7.177 1.00 1.07 C ATOM 63 OE1 GLN A 5 -31.734 -0.608 -7.366 1.00 1.90 O ATOM 64 NE2 GLN A 5 -30.206 0.834 -8.151 1.00 1.53 N ATOM 0 H GLN A 5 -32.843 4.169 -4.942 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.660 2.094 -3.387 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.715 1.731 -5.585 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.566 2.813 -6.347 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.717 1.246 -5.686 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.920 0.146 -5.044 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -29.557 1.595 -7.951 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -30.294 0.476 -9.102 1.00 1.53 H new ATOM 73 N TYR A 6 -29.229 2.475 -3.313 1.00 0.20 N ATOM 74 CA TYR A 6 -27.798 2.709 -3.149 1.00 0.21 C ATOM 75 C TYR A 6 -27.042 1.438 -3.493 1.00 0.23 C ATOM 76 O TYR A 6 -27.594 0.336 -3.411 1.00 0.30 O ATOM 77 CB TYR A 6 -27.449 3.152 -1.712 1.00 0.28 C ATOM 78 CG TYR A 6 -27.447 4.650 -1.511 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.298 5.397 -1.746 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.587 5.320 -1.081 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.286 6.765 -1.558 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.578 6.687 -0.892 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.429 7.404 -1.134 1.00 0.43 C ATOM 84 OH TYR A 6 -27.422 8.768 -0.951 1.00 0.53 O ATOM 0 H TYR A 6 -29.581 1.680 -2.779 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.507 3.516 -3.821 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -28.164 2.705 -1.022 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.466 2.760 -1.451 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.400 4.899 -2.081 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.493 4.763 -0.892 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -25.385 7.330 -1.743 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.471 7.193 -0.555 1.00 0.83 H new ATOM 0 HH TYR A 6 -28.307 9.062 -0.651 1.00 0.53 H new ATOM 94 N LYS A 7 -25.795 1.583 -3.898 1.00 0.26 N ATOM 95 CA LYS A 7 -24.994 0.436 -4.279 1.00 0.30 C ATOM 96 C LYS A 7 -23.587 0.539 -3.723 1.00 0.23 C ATOM 97 O LYS A 7 -23.100 1.634 -3.444 1.00 0.31 O ATOM 98 CB LYS A 7 -24.964 0.293 -5.808 1.00 0.50 C ATOM 99 CG LYS A 7 -24.634 1.587 -6.528 1.00 0.98 C ATOM 100 CD LYS A 7 -24.596 1.404 -8.039 1.00 1.30 C ATOM 101 CE LYS A 7 -25.959 1.039 -8.607 1.00 1.94 C ATOM 102 NZ LYS A 7 -25.937 0.951 -10.093 1.00 2.57 N ATOM 0 H LYS A 7 -25.316 2.481 -3.972 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.454 -0.456 -3.853 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.228 -0.463 -6.080 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.934 -0.068 -6.151 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.376 2.344 -6.273 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.669 1.958 -6.183 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.244 2.324 -8.506 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.878 0.623 -8.291 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -26.281 0.084 -8.192 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -26.692 1.784 -8.298 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -26.885 0.700 -10.440 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -25.654 1.869 -10.491 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -25.256 0.222 -10.388 1.00 2.57 H new ATOM 116 N LEU A 8 -22.961 -0.615 -3.527 1.00 0.22 N ATOM 117 CA LEU A 8 -21.602 -0.681 -2.999 1.00 0.20 C ATOM 118 C LEU A 8 -20.812 -1.777 -3.698 1.00 0.17 C ATOM 119 O LEU A 8 -21.333 -2.867 -3.943 1.00 0.25 O ATOM 120 CB LEU A 8 -21.621 -0.984 -1.495 1.00 0.28 C ATOM 121 CG LEU A 8 -20.248 -1.128 -0.837 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.653 0.221 -0.476 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.359 -2.008 0.379 1.00 0.33 C ATOM 0 H LEU A 8 -23.376 -1.525 -3.727 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.132 0.286 -3.175 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.166 -0.188 -0.988 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.180 -1.906 -1.334 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.572 -1.592 -1.555 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.678 0.076 -0.011 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.539 0.822 -1.378 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.314 0.736 0.221 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.379 -2.109 0.846 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.055 -1.561 1.089 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.723 -2.992 0.084 1.00 0.33 H new ATOM 135 N ILE A 9 -19.559 -1.478 -4.009 1.00 0.15 N ATOM 136 CA ILE A 9 -18.659 -2.448 -4.601 1.00 0.14 C ATOM 137 C ILE A 9 -17.469 -2.641 -3.672 1.00 0.13 C ATOM 138 O ILE A 9 -16.822 -1.671 -3.271 1.00 0.17 O ATOM 139 CB ILE A 9 -18.155 -1.996 -6.000 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.320 -1.666 -6.943 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.300 -3.075 -6.626 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.921 -0.805 -8.134 1.00 0.62 C ATOM 0 H ILE A 9 -19.142 -0.559 -3.858 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.204 -3.383 -4.734 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.562 -1.093 -5.853 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.754 -2.597 -7.308 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.098 -1.151 -6.379 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.955 -2.743 -7.605 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.440 -3.275 -5.987 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.888 -3.986 -6.738 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.797 -0.614 -8.754 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.514 0.142 -7.779 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.166 -1.326 -8.723 1.00 0.62 H new ATOM 154 N LEU A 10 -17.220 -3.882 -3.276 1.00 0.12 N ATOM 155 CA LEU A 10 -16.105 -4.164 -2.388 1.00 0.13 C ATOM 156 C LEU A 10 -14.872 -4.444 -3.212 1.00 0.15 C ATOM 157 O LEU A 10 -14.765 -5.492 -3.850 1.00 0.25 O ATOM 158 CB LEU A 10 -16.366 -5.356 -1.443 1.00 0.14 C ATOM 159 CG LEU A 10 -17.538 -5.245 -0.450 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.600 -3.884 0.209 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.870 -5.588 -1.107 1.00 0.19 C ATOM 0 H LEU A 10 -17.767 -4.697 -3.552 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.967 -3.284 -1.760 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.532 -6.240 -2.058 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.457 -5.533 -0.869 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.350 -5.981 0.332 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.442 -3.853 0.901 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.675 -3.702 0.755 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.728 -3.116 -0.554 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.671 -5.498 -0.374 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.055 -4.902 -1.933 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.837 -6.610 -1.484 1.00 0.19 H new ATOM 173 N ASN A 11 -13.963 -3.490 -3.244 1.00 0.15 N ATOM 174 CA ASN A 11 -12.749 -3.673 -3.992 1.00 0.18 C ATOM 175 C ASN A 11 -11.615 -4.023 -3.045 1.00 0.20 C ATOM 176 O ASN A 11 -10.934 -3.148 -2.511 1.00 0.24 O ATOM 177 CB ASN A 11 -12.414 -2.415 -4.789 1.00 0.24 C ATOM 178 CG ASN A 11 -11.617 -2.717 -6.043 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.856 -3.683 -6.100 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.799 -1.895 -7.063 1.00 1.33 N ATOM 0 H ASN A 11 -14.045 -2.593 -2.765 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.887 -4.492 -4.698 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.338 -1.906 -5.063 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.848 -1.730 -4.159 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -11.299 -2.050 -7.939 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.439 -1.106 -6.974 1.00 1.33 H new ATOM 187 N GLY A 12 -11.501 -5.310 -2.764 1.00 0.21 N ATOM 188 CA GLY A 12 -10.424 -5.815 -1.943 1.00 0.26 C ATOM 189 C GLY A 12 -9.964 -7.154 -2.482 1.00 0.39 C ATOM 190 O GLY A 12 -10.771 -8.054 -2.634 1.00 0.91 O ATOM 0 H GLY A 12 -12.148 -6.025 -3.097 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.594 -5.108 -1.938 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.758 -5.922 -0.911 1.00 0.26 H new ATOM 194 N LYS A 13 -8.681 -7.262 -2.797 1.00 0.44 N ATOM 195 CA LYS A 13 -8.101 -8.448 -3.449 1.00 0.56 C ATOM 196 C LYS A 13 -8.637 -9.776 -2.902 1.00 0.66 C ATOM 197 O LYS A 13 -8.968 -10.680 -3.667 1.00 0.89 O ATOM 198 CB LYS A 13 -6.573 -8.418 -3.330 1.00 0.76 C ATOM 199 CG LYS A 13 -5.941 -7.168 -3.931 1.00 1.17 C ATOM 200 CD LYS A 13 -4.421 -7.248 -3.939 1.00 1.63 C ATOM 201 CE LYS A 13 -3.931 -8.373 -4.834 1.00 2.41 C ATOM 202 NZ LYS A 13 -4.305 -8.161 -6.259 1.00 3.26 N ATOM 0 H LYS A 13 -7.999 -6.527 -2.609 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.403 -8.399 -4.495 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.297 -8.485 -2.278 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.161 -9.298 -3.824 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.303 -7.033 -4.950 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.255 -6.293 -3.362 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.007 -6.300 -4.283 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.058 -7.404 -2.923 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -2.847 -8.454 -4.753 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.348 -9.319 -4.487 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -3.773 -8.822 -6.860 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -5.324 -8.328 -6.379 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -4.080 -7.184 -6.535 1.00 3.26 H new ATOM 216 N THR A 14 -8.773 -9.878 -1.593 1.00 0.76 N ATOM 217 CA THR A 14 -9.240 -11.119 -0.976 1.00 1.06 C ATOM 218 C THR A 14 -10.767 -11.269 -1.075 1.00 0.93 C ATOM 219 O THR A 14 -11.279 -12.379 -1.237 1.00 1.20 O ATOM 220 CB THR A 14 -8.808 -11.172 0.500 1.00 1.44 C ATOM 221 OG1 THR A 14 -7.432 -10.779 0.609 1.00 1.93 O ATOM 222 CG2 THR A 14 -8.978 -12.572 1.075 1.00 1.86 C ATOM 0 H THR A 14 -8.570 -9.126 -0.935 1.00 0.76 H new ATOM 0 HA THR A 14 -8.786 -11.946 -1.522 1.00 1.06 H new ATOM 0 HB THR A 14 -9.441 -10.489 1.066 1.00 1.44 H new ATOM 0 HG1 THR A 14 -7.156 -10.811 1.549 1.00 1.93 H new ATOM 0 HG21 THR A 14 -8.664 -12.577 2.119 1.00 1.86 H new ATOM 0 HG22 THR A 14 -10.025 -12.868 1.009 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.366 -13.275 0.509 1.00 1.86 H new ATOM 230 N LEU A 15 -11.486 -10.158 -1.056 1.00 0.64 N ATOM 231 CA LEU A 15 -12.933 -10.187 -1.075 1.00 0.66 C ATOM 232 C LEU A 15 -13.480 -9.193 -2.085 1.00 0.49 C ATOM 233 O LEU A 15 -13.433 -7.984 -1.866 1.00 0.55 O ATOM 234 CB LEU A 15 -13.445 -9.861 0.311 1.00 0.92 C ATOM 235 CG LEU A 15 -13.489 -11.045 1.263 1.00 1.07 C ATOM 236 CD1 LEU A 15 -13.702 -10.558 2.670 1.00 1.80 C ATOM 237 CD2 LEU A 15 -14.586 -12.011 0.860 1.00 1.35 C ATOM 0 H LEU A 15 -11.084 -9.221 -1.027 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.269 -11.181 -1.370 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -12.813 -9.086 0.745 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.448 -9.443 0.225 1.00 0.92 H new ATOM 0 HG LEU A 15 -12.538 -11.575 1.214 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -13.733 -11.410 3.349 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -12.883 -9.897 2.954 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -14.645 -10.014 2.728 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -14.603 -12.852 1.553 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.548 -11.500 0.887 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.397 -12.376 -0.149 1.00 1.35 H new ATOM 249 N LYS A 16 -13.983 -9.702 -3.194 1.00 0.42 N ATOM 250 CA LYS A 16 -14.482 -8.848 -4.255 1.00 0.37 C ATOM 251 C LYS A 16 -15.911 -9.223 -4.630 1.00 0.43 C ATOM 252 O LYS A 16 -16.220 -10.391 -4.870 1.00 0.58 O ATOM 253 CB LYS A 16 -13.546 -8.948 -5.460 1.00 0.45 C ATOM 254 CG LYS A 16 -12.128 -8.471 -5.147 1.00 0.43 C ATOM 255 CD LYS A 16 -11.072 -9.119 -6.021 1.00 1.03 C ATOM 256 CE LYS A 16 -11.326 -10.608 -6.245 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.212 -11.406 -4.992 1.00 2.49 N ATOM 0 H LYS A 16 -14.057 -10.702 -3.383 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.503 -7.815 -3.908 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.510 -9.982 -5.802 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.952 -8.355 -6.280 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -12.080 -7.389 -5.272 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.904 -8.681 -4.101 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -11.042 -8.611 -6.985 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -10.093 -8.987 -5.560 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -12.322 -10.743 -6.667 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -10.615 -10.987 -6.978 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.377 -12.411 -5.204 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.260 -11.288 -4.591 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -11.920 -11.077 -4.305 1.00 2.49 H new ATOM 271 N GLY A 17 -16.774 -8.217 -4.649 1.00 0.33 N ATOM 272 CA GLY A 17 -18.180 -8.420 -4.934 1.00 0.39 C ATOM 273 C GLY A 17 -18.946 -7.117 -4.841 1.00 0.26 C ATOM 274 O GLY A 17 -18.338 -6.056 -4.689 1.00 0.23 O ATOM 0 H GLY A 17 -16.518 -7.246 -4.468 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.295 -8.843 -5.932 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.597 -9.142 -4.232 1.00 0.39 H new ATOM 278 N GLU A 18 -20.268 -7.189 -4.860 1.00 0.28 N ATOM 279 CA GLU A 18 -21.099 -5.991 -4.772 1.00 0.23 C ATOM 280 C GLU A 18 -22.480 -6.321 -4.206 1.00 0.29 C ATOM 281 O GLU A 18 -22.835 -7.491 -4.063 1.00 0.49 O ATOM 282 CB GLU A 18 -21.207 -5.296 -6.149 1.00 0.46 C ATOM 283 CG GLU A 18 -21.292 -6.234 -7.352 1.00 0.70 C ATOM 284 CD GLU A 18 -22.553 -7.077 -7.385 1.00 1.17 C ATOM 285 OE1 GLU A 18 -23.565 -6.617 -7.945 1.00 1.69 O ATOM 286 OE2 GLU A 18 -22.538 -8.193 -6.821 1.00 1.69 O ATOM 0 H GLU A 18 -20.791 -8.061 -4.935 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.619 -5.295 -4.083 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.089 -4.656 -6.146 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -20.342 -4.645 -6.277 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -21.238 -5.643 -8.266 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -20.425 -6.894 -7.348 1.00 0.70 H new ATOM 293 N THR A 19 -23.196 -5.293 -3.766 1.00 0.22 N ATOM 294 CA THR A 19 -24.533 -5.466 -3.225 1.00 0.32 C ATOM 295 C THR A 19 -25.266 -4.126 -3.237 1.00 0.29 C ATOM 296 O THR A 19 -24.644 -3.073 -3.416 1.00 0.31 O ATOM 297 CB THR A 19 -24.494 -6.048 -1.787 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.815 -6.405 -1.358 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.895 -5.047 -0.798 1.00 0.45 C ATOM 0 H THR A 19 -22.868 -4.327 -3.775 1.00 0.22 H new ATOM 0 HA THR A 19 -25.068 -6.179 -3.852 1.00 0.32 H new ATOM 0 HB THR A 19 -23.863 -6.936 -1.809 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.776 -6.772 -0.450 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.882 -5.485 0.200 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.877 -4.802 -1.100 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.499 -4.140 -0.788 1.00 0.45 H new ATOM 307 N THR A 20 -26.582 -4.162 -3.081 1.00 0.27 N ATOM 308 CA THR A 20 -27.380 -2.944 -3.080 1.00 0.24 C ATOM 309 C THR A 20 -28.294 -2.883 -1.859 1.00 0.25 C ATOM 310 O THR A 20 -28.564 -3.906 -1.226 1.00 0.31 O ATOM 311 CB THR A 20 -28.240 -2.827 -4.362 1.00 0.30 C ATOM 312 OG1 THR A 20 -29.007 -4.022 -4.551 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.382 -2.582 -5.602 1.00 0.32 C ATOM 0 H THR A 20 -27.119 -5.020 -2.954 1.00 0.27 H new ATOM 0 HA THR A 20 -26.679 -2.110 -3.047 1.00 0.24 H new ATOM 0 HB THR A 20 -28.903 -1.972 -4.230 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.549 -3.938 -5.363 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.024 -2.506 -6.480 1.00 0.32 H new ATOM 0 HG22 THR A 20 -26.823 -1.654 -5.480 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.686 -3.411 -5.732 1.00 0.32 H new ATOM 321 N THR A 21 -28.723 -1.674 -1.510 1.00 0.23 N ATOM 322 CA THR A 21 -29.638 -1.466 -0.394 1.00 0.26 C ATOM 323 C THR A 21 -30.384 -0.151 -0.602 1.00 0.25 C ATOM 324 O THR A 21 -29.947 0.694 -1.387 1.00 0.26 O ATOM 325 CB THR A 21 -28.922 -1.462 0.988 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.872 -1.723 2.031 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.249 -0.111 1.268 1.00 0.28 C ATOM 0 H THR A 21 -28.448 -0.817 -1.989 1.00 0.23 H new ATOM 0 HA THR A 21 -30.334 -2.305 -0.378 1.00 0.26 H new ATOM 0 HB THR A 21 -28.158 -2.239 0.964 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.415 -1.721 2.898 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.759 -0.143 2.241 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.508 0.094 0.495 1.00 0.28 H new ATOM 0 HG23 THR A 21 -29.002 0.678 1.267 1.00 0.28 H new ATOM 335 N GLU A 22 -31.539 -0.020 0.024 1.00 0.31 N ATOM 336 CA GLU A 22 -32.351 1.184 -0.091 1.00 0.36 C ATOM 337 C GLU A 22 -32.191 2.044 1.165 1.00 0.36 C ATOM 338 O GLU A 22 -32.160 1.522 2.281 1.00 0.58 O ATOM 339 CB GLU A 22 -33.832 0.806 -0.286 1.00 0.51 C ATOM 340 CG GLU A 22 -34.380 -0.067 0.832 1.00 1.16 C ATOM 341 CD GLU A 22 -35.852 -0.362 0.667 1.00 1.77 C ATOM 342 OE1 GLU A 22 -36.214 -1.061 -0.300 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.652 0.106 1.499 1.00 2.24 O ATOM 0 H GLU A 22 -31.942 -0.740 0.624 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.016 1.755 -0.957 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.427 1.717 -0.352 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.945 0.282 -1.235 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.826 -1.005 0.861 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -34.217 0.429 1.789 1.00 1.16 H new ATOM 350 N ALA A 23 -32.075 3.357 0.982 1.00 0.26 N ATOM 351 CA ALA A 23 -31.918 4.272 2.114 1.00 0.28 C ATOM 352 C ALA A 23 -32.516 5.639 1.780 1.00 0.31 C ATOM 353 O ALA A 23 -32.799 5.923 0.614 1.00 0.38 O ATOM 354 CB ALA A 23 -30.443 4.421 2.467 1.00 0.32 C ATOM 0 H ALA A 23 -32.086 3.811 0.068 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.448 3.858 2.972 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.338 5.104 3.310 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -30.033 3.447 2.735 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.902 4.819 1.608 1.00 0.32 H new ATOM 360 N VAL A 24 -32.785 6.455 2.802 1.00 0.35 N ATOM 361 CA VAL A 24 -33.307 7.802 2.569 1.00 0.45 C ATOM 362 C VAL A 24 -32.222 8.878 2.703 1.00 0.49 C ATOM 363 O VAL A 24 -32.438 10.033 2.330 1.00 0.74 O ATOM 364 CB VAL A 24 -34.472 8.129 3.529 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.660 7.225 3.250 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.035 7.990 4.979 1.00 1.09 C ATOM 0 H VAL A 24 -32.652 6.211 3.784 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.673 7.811 1.542 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.771 9.163 3.358 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.472 7.469 3.935 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.995 7.372 2.223 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.367 6.185 3.391 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.873 8.225 5.636 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.706 6.967 5.163 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.213 8.677 5.179 1.00 1.09 H new ATOM 376 N ASP A 25 -31.044 8.495 3.194 1.00 0.39 N ATOM 377 CA ASP A 25 -29.949 9.446 3.376 1.00 0.45 C ATOM 378 C ASP A 25 -28.642 8.827 2.915 1.00 0.39 C ATOM 379 O ASP A 25 -28.468 7.611 2.983 1.00 0.35 O ATOM 380 CB ASP A 25 -29.798 9.885 4.842 1.00 0.54 C ATOM 381 CG ASP A 25 -30.984 10.669 5.369 1.00 1.25 C ATOM 382 OD1 ASP A 25 -31.067 11.886 5.092 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.857 10.067 6.033 1.00 2.13 O ATOM 0 H ASP A 25 -30.824 7.538 3.471 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.188 10.326 2.778 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.653 9.001 5.463 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -28.899 10.494 4.939 1.00 0.54 H new ATOM 388 N ALA A 26 -27.705 9.670 2.499 1.00 0.44 N ATOM 389 CA ALA A 26 -26.405 9.201 2.038 1.00 0.46 C ATOM 390 C ALA A 26 -25.578 8.675 3.200 1.00 0.38 C ATOM 391 O ALA A 26 -24.912 7.647 3.087 1.00 0.37 O ATOM 392 CB ALA A 26 -25.659 10.324 1.324 1.00 0.59 C ATOM 0 H ALA A 26 -27.822 10.683 2.472 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.566 8.384 1.335 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.689 9.959 0.985 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.241 10.659 0.465 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.513 11.158 2.011 1.00 0.59 H new ATOM 398 N ALA A 27 -25.660 9.367 4.328 1.00 0.39 N ATOM 399 CA ALA A 27 -24.917 8.982 5.523 1.00 0.38 C ATOM 400 C ALA A 27 -25.406 7.640 6.063 1.00 0.31 C ATOM 401 O ALA A 27 -24.615 6.830 6.538 1.00 0.32 O ATOM 402 CB ALA A 27 -25.036 10.057 6.591 1.00 0.48 C ATOM 0 H ALA A 27 -26.236 10.201 4.442 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.867 8.875 5.249 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.476 9.754 7.476 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.633 10.995 6.210 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.085 10.194 6.854 1.00 0.48 H new ATOM 408 N THR A 28 -26.704 7.394 5.945 1.00 0.31 N ATOM 409 CA THR A 28 -27.293 6.151 6.431 1.00 0.30 C ATOM 410 C THR A 28 -26.810 4.956 5.609 1.00 0.24 C ATOM 411 O THR A 28 -26.580 3.875 6.151 1.00 0.28 O ATOM 412 CB THR A 28 -28.829 6.214 6.386 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.264 7.489 6.872 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.452 5.106 7.238 1.00 0.45 C ATOM 0 H THR A 28 -27.370 8.038 5.517 1.00 0.31 H new ATOM 0 HA THR A 28 -26.972 6.023 7.465 1.00 0.30 H new ATOM 0 HB THR A 28 -29.150 6.074 5.354 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.243 7.534 6.843 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.539 5.175 7.187 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.132 4.134 6.862 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.129 5.218 8.273 1.00 0.45 H new ATOM 422 N ALA A 29 -26.568 5.183 4.317 1.00 0.21 N ATOM 423 CA ALA A 29 -26.099 4.120 3.435 1.00 0.22 C ATOM 424 C ALA A 29 -24.665 3.776 3.785 1.00 0.21 C ATOM 425 O ALA A 29 -24.246 2.624 3.715 1.00 0.25 O ATOM 426 CB ALA A 29 -26.212 4.539 1.976 1.00 0.28 C ATOM 0 H ALA A 29 -26.689 6.088 3.863 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.724 3.238 3.575 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.857 3.731 1.337 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.253 4.757 1.740 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.607 5.429 1.805 1.00 0.28 H new ATOM 432 N GLU A 30 -23.936 4.795 4.204 1.00 0.19 N ATOM 433 CA GLU A 30 -22.562 4.633 4.628 1.00 0.20 C ATOM 434 C GLU A 30 -22.519 3.817 5.912 1.00 0.20 C ATOM 435 O GLU A 30 -21.924 2.742 5.951 1.00 0.23 O ATOM 436 CB GLU A 30 -21.935 6.002 4.866 1.00 0.24 C ATOM 437 CG GLU A 30 -20.422 6.001 4.793 1.00 0.35 C ATOM 438 CD GLU A 30 -19.821 7.285 5.316 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.710 8.252 4.542 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.456 7.325 6.514 1.00 1.29 O ATOM 0 H GLU A 30 -24.281 5.753 4.259 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.002 4.112 3.851 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.325 6.703 4.128 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.242 6.367 5.846 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.033 5.160 5.368 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.111 5.852 3.759 1.00 0.35 H new ATOM 447 N LYS A 31 -23.242 4.293 6.928 1.00 0.20 N ATOM 448 CA LYS A 31 -23.270 3.649 8.240 1.00 0.24 C ATOM 449 C LYS A 31 -23.576 2.151 8.152 1.00 0.22 C ATOM 450 O LYS A 31 -22.916 1.344 8.804 1.00 0.26 O ATOM 451 CB LYS A 31 -24.294 4.326 9.164 1.00 0.29 C ATOM 452 CG LYS A 31 -23.993 5.788 9.471 1.00 0.39 C ATOM 453 CD LYS A 31 -22.551 5.987 9.911 1.00 1.10 C ATOM 454 CE LYS A 31 -22.203 5.128 11.112 1.00 1.86 C ATOM 455 NZ LYS A 31 -20.754 5.196 11.433 1.00 2.42 N ATOM 0 H LYS A 31 -23.821 5.131 6.864 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.270 3.764 8.658 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.280 4.259 8.704 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.341 3.772 10.102 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -24.190 6.393 8.586 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.664 6.141 10.254 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.882 5.744 9.085 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -22.387 7.037 10.156 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -22.783 5.456 11.975 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.484 4.094 10.914 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -20.553 4.597 12.259 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -20.202 4.859 10.618 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.492 6.179 11.647 1.00 2.42 H new ATOM 469 N VAL A 32 -24.541 1.781 7.318 1.00 0.20 N ATOM 470 CA VAL A 32 -24.944 0.383 7.199 1.00 0.22 C ATOM 471 C VAL A 32 -23.879 -0.446 6.484 1.00 0.18 C ATOM 472 O VAL A 32 -23.427 -1.468 6.999 1.00 0.20 O ATOM 473 CB VAL A 32 -26.294 0.241 6.459 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.662 -1.227 6.274 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.398 0.964 7.215 1.00 0.29 C ATOM 0 H VAL A 32 -25.057 2.424 6.717 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.062 0.004 8.214 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.186 0.697 5.475 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.616 -1.300 5.751 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.889 -1.725 5.689 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.745 -1.707 7.249 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.340 0.852 6.678 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.496 0.536 8.213 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.150 2.022 7.297 1.00 0.29 H new ATOM 485 N PHE A 33 -23.429 0.028 5.330 1.00 0.16 N ATOM 486 CA PHE A 33 -22.428 -0.695 4.549 1.00 0.15 C ATOM 487 C PHE A 33 -21.076 -0.748 5.262 1.00 0.15 C ATOM 488 O PHE A 33 -20.264 -1.627 4.984 1.00 0.17 O ATOM 489 CB PHE A 33 -22.248 -0.061 3.169 1.00 0.17 C ATOM 490 CG PHE A 33 -23.281 -0.461 2.144 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.694 -1.777 2.022 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.825 0.486 1.289 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.627 -2.144 1.069 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.761 0.125 0.335 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.163 -1.191 0.223 1.00 0.29 C ATOM 0 H PHE A 33 -23.738 0.906 4.913 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.797 -1.714 4.434 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.268 1.023 3.279 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.261 -0.325 2.790 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.282 -2.528 2.680 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.515 1.517 1.368 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.937 -3.175 0.986 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.177 0.874 -0.323 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.892 -1.474 -0.521 1.00 0.29 H new ATOM 505 N LYS A 34 -20.829 0.189 6.171 1.00 0.16 N ATOM 506 CA LYS A 34 -19.577 0.214 6.903 1.00 0.20 C ATOM 507 C LYS A 34 -19.525 -0.944 7.890 1.00 0.20 C ATOM 508 O LYS A 34 -18.511 -1.630 7.997 1.00 0.22 O ATOM 509 CB LYS A 34 -19.397 1.560 7.618 1.00 0.29 C ATOM 510 CG LYS A 34 -19.074 2.707 6.669 1.00 0.43 C ATOM 511 CD LYS A 34 -18.454 3.891 7.403 1.00 0.38 C ATOM 512 CE LYS A 34 -17.039 3.584 7.864 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.401 4.766 8.506 1.00 1.09 N ATOM 0 H LYS A 34 -21.479 0.936 6.415 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.754 0.099 6.198 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.309 1.797 8.167 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.597 1.469 8.353 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.388 2.358 5.897 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.985 3.029 6.164 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.443 4.761 6.747 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -19.070 4.149 8.264 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.058 2.753 8.569 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.440 3.265 7.011 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.437 4.519 8.808 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.360 5.551 7.825 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.960 5.055 9.334 1.00 1.09 H new ATOM 527 N GLN A 35 -20.635 -1.180 8.582 1.00 0.21 N ATOM 528 CA GLN A 35 -20.749 -2.317 9.483 1.00 0.24 C ATOM 529 C GLN A 35 -20.740 -3.606 8.663 1.00 0.21 C ATOM 530 O GLN A 35 -20.210 -4.632 9.087 1.00 0.24 O ATOM 531 CB GLN A 35 -22.036 -2.210 10.310 1.00 0.32 C ATOM 532 CG GLN A 35 -22.173 -3.295 11.365 1.00 0.43 C ATOM 533 CD GLN A 35 -21.079 -3.231 12.415 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.564 -2.159 12.732 1.00 2.20 O ATOM 535 NE2 GLN A 35 -20.723 -4.381 12.966 1.00 1.82 N ATOM 0 H GLN A 35 -21.470 -0.596 8.534 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.905 -2.325 10.172 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.065 -1.235 10.797 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.894 -2.257 9.639 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.144 -3.203 11.852 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.150 -4.272 10.881 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -21.175 -5.248 12.675 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -19.997 -4.400 13.682 1.00 1.82 H new ATOM 544 N TYR A 36 -21.270 -3.499 7.449 1.00 0.19 N ATOM 545 CA TYR A 36 -21.316 -4.603 6.500 1.00 0.18 C ATOM 546 C TYR A 36 -19.902 -4.979 6.043 1.00 0.17 C ATOM 547 O TYR A 36 -19.526 -6.152 6.036 1.00 0.19 O ATOM 548 CB TYR A 36 -22.183 -4.174 5.313 1.00 0.19 C ATOM 549 CG TYR A 36 -21.981 -4.969 4.049 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.380 -6.291 4.008 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.396 -4.420 2.915 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.206 -7.061 2.877 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.218 -5.180 1.771 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.590 -6.372 1.681 1.00 0.34 C ATOM 555 OH TYR A 36 -21.441 -7.259 0.618 1.00 0.42 O ATOM 0 H TYR A 36 -21.683 -2.636 7.094 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.748 -5.486 6.970 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.231 -4.246 5.605 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.983 -3.124 5.099 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -22.838 -6.731 4.881 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -21.076 -3.388 2.926 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -22.495 -8.101 2.848 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.737 -4.724 0.918 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.437 -6.761 -0.226 1.00 0.42 H new ATOM 565 N ALA A 37 -19.121 -3.967 5.667 1.00 0.15 N ATOM 566 CA ALA A 37 -17.748 -4.169 5.227 1.00 0.16 C ATOM 567 C ALA A 37 -16.861 -4.550 6.408 1.00 0.18 C ATOM 568 O ALA A 37 -15.897 -5.306 6.264 1.00 0.22 O ATOM 569 CB ALA A 37 -17.229 -2.904 4.554 1.00 0.17 C ATOM 0 H ALA A 37 -19.422 -2.993 5.660 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.724 -4.986 4.506 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.201 -3.061 4.227 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.852 -2.669 3.691 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.262 -2.076 5.262 1.00 0.17 H new ATOM 575 N ASN A 38 -17.231 -4.052 7.583 1.00 0.20 N ATOM 576 CA ASN A 38 -16.495 -4.331 8.821 1.00 0.26 C ATOM 577 C ASN A 38 -16.522 -5.826 9.119 1.00 0.28 C ATOM 578 O ASN A 38 -15.489 -6.427 9.410 1.00 0.36 O ATOM 579 CB ASN A 38 -17.102 -3.552 10.013 1.00 0.31 C ATOM 580 CG ASN A 38 -16.381 -3.817 11.339 1.00 0.44 C ATOM 581 OD1 ASN A 38 -16.607 -4.848 11.975 1.00 1.03 O ATOM 582 ND2 ASN A 38 -15.562 -2.868 11.804 1.00 1.39 N ATOM 0 H ASN A 38 -18.043 -3.447 7.709 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.464 -4.006 8.683 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.068 -2.484 9.796 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.153 -3.823 10.118 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -15.105 -2.987 12.708 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.394 -2.025 11.255 1.00 1.39 H new ATOM 589 N ASP A 39 -17.704 -6.425 8.986 1.00 0.30 N ATOM 590 CA ASP A 39 -17.893 -7.857 9.236 1.00 0.38 C ATOM 591 C ASP A 39 -17.097 -8.699 8.240 1.00 0.33 C ATOM 592 O ASP A 39 -16.724 -9.837 8.523 1.00 0.41 O ATOM 593 CB ASP A 39 -19.385 -8.219 9.148 1.00 0.53 C ATOM 594 CG ASP A 39 -19.663 -9.700 9.380 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.803 -10.449 8.391 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.713 -10.125 10.555 1.00 1.77 O ATOM 0 H ASP A 39 -18.554 -5.937 8.704 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.528 -8.074 10.240 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.937 -7.634 9.883 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.763 -7.935 8.166 1.00 0.53 H new ATOM 601 N ASN A 40 -16.804 -8.113 7.083 1.00 0.28 N ATOM 602 CA ASN A 40 -16.065 -8.805 6.040 1.00 0.34 C ATOM 603 C ASN A 40 -14.576 -8.492 6.133 1.00 0.32 C ATOM 604 O ASN A 40 -13.758 -9.093 5.438 1.00 0.46 O ATOM 605 CB ASN A 40 -16.599 -8.426 4.655 1.00 0.42 C ATOM 606 CG ASN A 40 -17.846 -9.200 4.271 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.759 -10.303 3.734 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.013 -8.620 4.511 1.00 0.78 N ATOM 0 H ASN A 40 -17.070 -7.157 6.847 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.203 -9.876 6.185 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -16.820 -7.359 4.636 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -15.823 -8.605 3.911 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -19.880 -9.090 4.248 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.045 -7.704 4.959 1.00 0.78 H new ATOM 615 N GLY A 41 -14.229 -7.562 7.007 1.00 0.25 N ATOM 616 CA GLY A 41 -12.840 -7.200 7.200 1.00 0.33 C ATOM 617 C GLY A 41 -12.290 -6.337 6.086 1.00 0.28 C ATOM 618 O GLY A 41 -11.101 -6.413 5.775 1.00 0.37 O ATOM 0 H GLY A 41 -14.889 -7.047 7.591 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.737 -6.669 8.147 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.242 -8.108 7.277 1.00 0.33 H new ATOM 622 N VAL A 42 -13.156 -5.566 5.435 1.00 0.23 N ATOM 623 CA VAL A 42 -12.729 -4.655 4.401 1.00 0.26 C ATOM 624 C VAL A 42 -12.718 -3.242 4.957 1.00 0.36 C ATOM 625 O VAL A 42 -13.740 -2.730 5.418 1.00 0.46 O ATOM 626 CB VAL A 42 -13.633 -4.735 3.152 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.121 -3.795 2.071 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.674 -6.162 2.633 1.00 0.29 C ATOM 0 H VAL A 42 -14.160 -5.561 5.613 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.725 -4.939 4.086 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.643 -4.431 3.426 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.767 -3.861 1.196 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.123 -2.772 2.447 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.105 -4.078 1.794 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.314 -6.210 1.752 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.666 -6.482 2.368 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.071 -6.819 3.406 1.00 0.29 H new ATOM 638 N ASP A 43 -11.553 -2.630 4.924 1.00 0.42 N ATOM 639 CA ASP A 43 -11.361 -1.304 5.495 1.00 0.55 C ATOM 640 C ASP A 43 -10.376 -0.524 4.623 1.00 0.47 C ATOM 641 O ASP A 43 -9.162 -0.711 4.725 1.00 0.68 O ATOM 642 CB ASP A 43 -10.825 -1.430 6.935 1.00 0.80 C ATOM 643 CG ASP A 43 -10.667 -0.096 7.645 1.00 1.29 C ATOM 644 OD1 ASP A 43 -11.680 0.445 8.144 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.537 0.433 7.690 1.00 1.80 O ATOM 0 H ASP A 43 -10.714 -3.031 4.504 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.311 -0.771 5.526 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.502 -2.061 7.512 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -9.860 -1.936 6.911 1.00 0.80 H new ATOM 650 N GLY A 44 -10.901 0.326 3.745 1.00 0.43 N ATOM 651 CA GLY A 44 -10.066 1.052 2.814 1.00 0.37 C ATOM 652 C GLY A 44 -10.674 2.389 2.438 1.00 0.34 C ATOM 653 O GLY A 44 -11.620 2.841 3.082 1.00 0.38 O ATOM 0 H GLY A 44 -11.898 0.523 3.665 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.082 1.211 3.256 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -9.919 0.454 1.915 1.00 0.37 H new ATOM 657 N GLU A 45 -10.102 3.035 1.428 1.00 0.34 N ATOM 658 CA GLU A 45 -10.580 4.337 0.960 1.00 0.35 C ATOM 659 C GLU A 45 -12.030 4.256 0.483 1.00 0.29 C ATOM 660 O GLU A 45 -12.447 3.251 -0.092 1.00 0.43 O ATOM 661 CB GLU A 45 -9.689 4.838 -0.177 1.00 0.45 C ATOM 662 CG GLU A 45 -8.430 5.552 0.285 1.00 1.27 C ATOM 663 CD GLU A 45 -8.690 6.982 0.692 1.00 2.01 C ATOM 664 OE1 GLU A 45 -9.292 7.194 1.763 1.00 2.79 O ATOM 665 OE2 GLU A 45 -8.294 7.900 -0.049 1.00 2.57 O ATOM 0 H GLU A 45 -9.299 2.676 0.911 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.535 5.035 1.796 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.404 3.990 -0.800 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.267 5.516 -0.805 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -7.998 5.011 1.127 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -7.692 5.535 -0.517 1.00 1.27 H new ATOM 672 N TRP A 46 -12.780 5.326 0.720 1.00 0.22 N ATOM 673 CA TRP A 46 -14.190 5.386 0.330 1.00 0.24 C ATOM 674 C TRP A 46 -14.426 6.438 -0.750 1.00 0.28 C ATOM 675 O TRP A 46 -14.205 7.630 -0.534 1.00 0.41 O ATOM 676 CB TRP A 46 -15.099 5.674 1.545 1.00 0.31 C ATOM 677 CG TRP A 46 -15.484 4.435 2.311 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.628 3.602 2.963 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.809 3.898 2.535 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.316 2.575 3.558 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.651 2.731 3.313 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.106 4.268 2.156 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.727 1.948 3.716 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.172 3.486 2.562 1.00 0.32 C ATOM 685 CH2 TRP A 46 -18.976 2.338 3.330 1.00 0.35 C ATOM 0 H TRP A 46 -12.437 6.168 1.182 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.448 4.407 -0.075 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.587 6.363 2.217 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.004 6.176 1.202 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.557 3.731 3.006 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.898 1.817 4.097 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.271 5.151 1.556 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.579 1.061 4.314 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.175 3.769 2.279 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.830 1.746 3.625 1.00 0.35 H new ATOM 696 N THR A 47 -14.847 5.983 -1.916 1.00 0.29 N ATOM 697 CA THR A 47 -15.173 6.870 -3.016 1.00 0.35 C ATOM 698 C THR A 47 -16.684 6.870 -3.252 1.00 0.31 C ATOM 699 O THR A 47 -17.373 5.924 -2.859 1.00 0.28 O ATOM 700 CB THR A 47 -14.432 6.451 -4.300 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.515 5.029 -4.481 1.00 0.53 O ATOM 702 CG2 THR A 47 -12.974 6.880 -4.240 1.00 0.63 C ATOM 0 H THR A 47 -14.972 4.993 -2.126 1.00 0.29 H new ATOM 0 HA THR A 47 -14.851 7.878 -2.754 1.00 0.35 H new ATOM 0 HB THR A 47 -14.908 6.946 -5.147 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.042 4.775 -5.301 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.467 6.575 -5.156 1.00 0.63 H new ATOM 0 HG22 THR A 47 -12.918 7.964 -4.137 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.491 6.409 -3.384 1.00 0.63 H new ATOM 710 N TYR A 48 -17.202 7.910 -3.902 1.00 0.38 N ATOM 711 CA TYR A 48 -18.643 8.015 -4.128 1.00 0.37 C ATOM 712 C TYR A 48 -18.944 8.816 -5.393 1.00 0.42 C ATOM 713 O TYR A 48 -18.283 9.818 -5.671 1.00 0.51 O ATOM 714 CB TYR A 48 -19.342 8.658 -2.906 1.00 0.41 C ATOM 715 CG TYR A 48 -20.813 9.022 -3.122 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.161 10.279 -3.608 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.853 8.117 -2.857 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.484 10.628 -3.821 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.178 8.467 -3.068 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.513 9.652 -3.482 1.00 0.61 C ATOM 721 OH TYR A 48 -24.803 10.072 -3.763 1.00 0.70 O ATOM 0 H TYR A 48 -16.654 8.684 -4.278 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.034 7.007 -4.263 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.273 7.970 -2.063 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.797 9.560 -2.627 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.383 10.997 -3.823 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.617 7.132 -2.483 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -22.746 11.594 -4.226 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.951 7.736 -2.883 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.406 9.776 -3.049 1.00 0.70 H new ATOM 731 N ASP A 49 -19.939 8.372 -6.156 1.00 0.42 N ATOM 732 CA ASP A 49 -20.367 9.093 -7.352 1.00 0.51 C ATOM 733 C ASP A 49 -21.765 9.648 -7.108 1.00 0.53 C ATOM 734 O ASP A 49 -22.549 9.066 -6.363 1.00 0.55 O ATOM 735 CB ASP A 49 -20.320 8.207 -8.616 1.00 0.57 C ATOM 736 CG ASP A 49 -21.033 6.885 -8.472 1.00 1.22 C ATOM 737 OD1 ASP A 49 -20.402 5.828 -8.669 1.00 2.07 O ATOM 738 OD2 ASP A 49 -22.226 6.905 -8.108 1.00 1.52 O ATOM 0 H ASP A 49 -20.464 7.518 -5.968 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.674 9.913 -7.539 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -20.761 8.756 -9.448 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -19.278 8.019 -8.875 1.00 0.57 H new ATOM 743 N ASP A 50 -22.071 10.762 -7.745 1.00 0.68 N ATOM 744 CA ASP A 50 -23.292 11.513 -7.436 1.00 0.76 C ATOM 745 C ASP A 50 -24.546 10.899 -8.043 1.00 0.73 C ATOM 746 O ASP A 50 -25.451 10.489 -7.320 1.00 0.84 O ATOM 747 CB ASP A 50 -23.147 12.955 -7.930 1.00 1.00 C ATOM 748 CG ASP A 50 -21.964 13.669 -7.307 1.00 1.56 C ATOM 749 OD1 ASP A 50 -20.815 13.429 -7.748 1.00 2.28 O ATOM 750 OD2 ASP A 50 -22.176 14.496 -6.395 1.00 2.15 O ATOM 0 H ASP A 50 -21.497 11.174 -8.481 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.412 11.482 -6.353 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -23.036 12.954 -9.014 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -24.060 13.506 -7.703 1.00 1.00 H new ATOM 755 N ALA A 51 -24.578 10.801 -9.366 1.00 0.70 N ATOM 756 CA ALA A 51 -25.779 10.382 -10.086 1.00 0.78 C ATOM 757 C ALA A 51 -26.188 8.938 -9.800 1.00 0.75 C ATOM 758 O ALA A 51 -27.381 8.641 -9.702 1.00 0.91 O ATOM 759 CB ALA A 51 -25.593 10.585 -11.582 1.00 0.91 C ATOM 0 H ALA A 51 -23.781 11.007 -9.968 1.00 0.70 H new ATOM 0 HA ALA A 51 -26.590 11.012 -9.722 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -26.495 10.269 -12.107 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -25.405 11.639 -11.786 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -24.746 9.992 -11.927 1.00 0.91 H new ATOM 765 N THR A 52 -25.228 8.035 -9.660 1.00 0.63 N ATOM 766 CA THR A 52 -25.561 6.628 -9.477 1.00 0.65 C ATOM 767 C THR A 52 -25.496 6.175 -8.016 1.00 0.55 C ATOM 768 O THR A 52 -25.960 5.080 -7.689 1.00 0.62 O ATOM 769 CB THR A 52 -24.671 5.742 -10.367 1.00 0.74 C ATOM 770 OG1 THR A 52 -23.319 6.197 -10.317 1.00 1.06 O ATOM 771 CG2 THR A 52 -25.151 5.779 -11.810 1.00 1.19 C ATOM 0 H THR A 52 -24.230 8.244 -9.669 1.00 0.63 H new ATOM 0 HA THR A 52 -26.601 6.513 -9.784 1.00 0.65 H new ATOM 0 HB THR A 52 -24.730 4.720 -9.994 1.00 0.74 H new ATOM 0 HG1 THR A 52 -23.141 6.599 -9.441 1.00 1.06 H new ATOM 0 HG21 THR A 52 -24.509 5.147 -12.423 1.00 1.19 H new ATOM 0 HG22 THR A 52 -26.177 5.414 -11.862 1.00 1.19 H new ATOM 0 HG23 THR A 52 -25.112 6.803 -12.180 1.00 1.19 H new ATOM 779 N LYS A 53 -24.992 7.050 -7.136 1.00 0.47 N ATOM 780 CA LYS A 53 -24.925 6.760 -5.690 1.00 0.46 C ATOM 781 C LYS A 53 -24.152 5.473 -5.419 1.00 0.39 C ATOM 782 O LYS A 53 -24.512 4.685 -4.538 1.00 0.49 O ATOM 783 CB LYS A 53 -26.336 6.649 -5.090 1.00 0.59 C ATOM 784 CG LYS A 53 -27.065 7.968 -4.952 1.00 0.81 C ATOM 785 CD LYS A 53 -27.654 8.419 -6.272 1.00 0.87 C ATOM 786 CE LYS A 53 -28.830 7.558 -6.687 1.00 1.57 C ATOM 787 NZ LYS A 53 -29.961 7.680 -5.729 1.00 2.08 N ATOM 0 H LYS A 53 -24.624 7.965 -7.396 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.399 7.589 -5.216 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -26.931 5.983 -5.715 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.263 6.184 -4.107 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -27.860 7.870 -4.213 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -26.377 8.728 -4.581 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -27.975 9.458 -6.191 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -26.886 8.382 -7.044 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.163 7.850 -7.683 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -28.515 6.516 -6.749 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -30.835 7.339 -6.178 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -29.762 7.110 -4.882 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -30.078 8.676 -5.455 1.00 2.08 H new ATOM 801 N THR A 54 -23.073 5.279 -6.156 1.00 0.34 N ATOM 802 CA THR A 54 -22.266 4.086 -6.013 1.00 0.31 C ATOM 803 C THR A 54 -21.162 4.281 -4.971 1.00 0.28 C ATOM 804 O THR A 54 -20.222 5.050 -5.179 1.00 0.35 O ATOM 805 CB THR A 54 -21.635 3.669 -7.363 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.616 3.764 -8.407 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.106 2.234 -7.291 1.00 0.41 C ATOM 0 H THR A 54 -22.737 5.935 -6.861 1.00 0.34 H new ATOM 0 HA THR A 54 -22.931 3.292 -5.675 1.00 0.31 H new ATOM 0 HB THR A 54 -20.803 4.340 -7.577 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.614 4.672 -8.776 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.666 1.960 -8.250 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.348 2.164 -6.511 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.927 1.555 -7.061 1.00 0.41 H new ATOM 815 N TYR A 55 -21.317 3.642 -3.815 1.00 0.21 N ATOM 816 CA TYR A 55 -20.275 3.676 -2.797 1.00 0.21 C ATOM 817 C TYR A 55 -19.247 2.603 -3.116 1.00 0.21 C ATOM 818 O TYR A 55 -19.602 1.457 -3.389 1.00 0.24 O ATOM 819 CB TYR A 55 -20.825 3.454 -1.368 1.00 0.24 C ATOM 820 CG TYR A 55 -21.380 4.696 -0.703 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.729 5.008 -0.811 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.567 5.562 0.017 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.253 6.143 -0.223 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.084 6.699 0.609 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.370 6.974 0.555 1.00 0.56 C ATOM 826 OH TYR A 55 -22.951 8.119 1.070 1.00 0.70 O ATOM 0 H TYR A 55 -22.144 3.101 -3.563 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.826 4.669 -2.814 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.610 2.699 -1.409 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -20.027 3.051 -0.745 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.382 4.350 -1.366 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.514 5.343 0.116 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.295 6.400 -0.343 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.419 7.375 1.126 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.610 7.873 1.752 1.00 0.70 H new ATOM 836 N THR A 56 -17.986 2.977 -3.160 1.00 0.24 N ATOM 837 CA THR A 56 -16.937 2.018 -3.445 1.00 0.29 C ATOM 838 C THR A 56 -15.870 2.045 -2.354 1.00 0.25 C ATOM 839 O THR A 56 -15.297 3.095 -2.066 1.00 0.28 O ATOM 840 CB THR A 56 -16.294 2.286 -4.824 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.301 2.235 -5.840 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.203 1.262 -5.134 1.00 0.74 C ATOM 0 H THR A 56 -17.662 3.932 -3.003 1.00 0.24 H new ATOM 0 HA THR A 56 -17.392 1.028 -3.467 1.00 0.29 H new ATOM 0 HB THR A 56 -15.837 3.275 -4.801 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.893 2.407 -6.714 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.769 1.477 -6.111 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.426 1.317 -4.372 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.635 0.261 -5.141 1.00 0.74 H new ATOM 850 N VAL A 57 -15.647 0.904 -1.712 1.00 0.24 N ATOM 851 CA VAL A 57 -14.603 0.807 -0.698 1.00 0.23 C ATOM 852 C VAL A 57 -13.417 0.062 -1.296 1.00 0.24 C ATOM 853 O VAL A 57 -13.536 -1.088 -1.727 1.00 0.30 O ATOM 854 CB VAL A 57 -15.075 0.140 0.646 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.537 -1.305 0.468 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.958 0.200 1.679 1.00 0.27 C ATOM 0 H VAL A 57 -16.168 0.042 -1.873 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.319 1.822 -0.418 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.938 0.709 0.991 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.850 -1.708 1.431 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.375 -1.336 -0.228 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.716 -1.904 0.073 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.294 -0.264 2.606 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.085 -0.333 1.302 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.694 1.240 1.869 1.00 0.27 H new ATOM 866 N THR A 58 -12.323 0.780 -1.470 1.00 0.26 N ATOM 867 CA THR A 58 -11.146 0.226 -2.104 1.00 0.30 C ATOM 868 C THR A 58 -10.029 -0.002 -1.092 1.00 0.32 C ATOM 869 O THR A 58 -9.636 0.914 -0.371 1.00 0.36 O ATOM 870 CB THR A 58 -10.647 1.162 -3.218 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.745 1.534 -4.059 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.569 0.494 -4.052 1.00 0.52 C ATOM 0 H THR A 58 -12.227 1.753 -1.179 1.00 0.26 H new ATOM 0 HA THR A 58 -11.424 -0.735 -2.535 1.00 0.30 H new ATOM 0 HB THR A 58 -10.218 2.050 -2.754 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.427 2.132 -4.767 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.235 1.179 -4.831 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.725 0.232 -3.414 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.971 -0.409 -4.511 1.00 0.52 H new ATOM 880 N GLU A 59 -9.547 -1.236 -1.029 1.00 0.35 N ATOM 881 CA GLU A 59 -8.448 -1.593 -0.126 1.00 0.42 C ATOM 882 C GLU A 59 -7.174 -0.842 -0.527 1.00 0.53 C ATOM 883 O GLU A 59 -6.959 -0.564 -1.714 1.00 0.75 O ATOM 884 CB GLU A 59 -8.183 -3.117 -0.123 1.00 0.44 C ATOM 885 CG GLU A 59 -9.166 -3.922 0.717 1.00 0.78 C ATOM 886 CD GLU A 59 -9.032 -3.612 2.194 1.00 1.79 C ATOM 887 OE1 GLU A 59 -7.929 -3.772 2.743 1.00 2.34 O ATOM 888 OE2 GLU A 59 -10.047 -3.236 2.817 1.00 2.56 O ATOM 0 H GLU A 59 -9.897 -2.012 -1.591 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.740 -1.303 0.883 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.216 -3.482 -1.150 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.174 -3.298 0.247 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -10.184 -3.706 0.391 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.998 -4.986 0.553 1.00 0.78 H new ATOM 1067 N LEU A 75 33.977 12.105 1.691 1.00 21.47 N ATOM 1068 CA LEU A 75 35.199 12.278 2.462 1.00 21.98 C ATOM 1069 C LEU A 75 34.858 12.544 3.928 1.00 22.04 C ATOM 1070 O LEU A 75 33.735 12.960 4.231 1.00 21.90 O ATOM 1071 CB LEU A 75 36.038 13.439 1.895 1.00 22.62 C ATOM 1072 CG LEU A 75 36.751 13.178 0.558 1.00 22.85 C ATOM 1073 CD1 LEU A 75 37.621 11.932 0.647 1.00 22.94 C ATOM 1074 CD2 LEU A 75 35.752 13.068 -0.588 1.00 22.46 C ATOM 0 HA LEU A 75 35.786 11.362 2.393 1.00 21.98 H new ATOM 0 HB2 LEU A 75 35.386 14.303 1.771 1.00 22.62 H new ATOM 0 HB3 LEU A 75 36.790 13.711 2.636 1.00 22.62 H new ATOM 0 HG LEU A 75 37.398 14.030 0.350 1.00 22.85 H new ATOM 0 HD11 LEU A 75 38.117 11.765 -0.309 1.00 22.94 H new ATOM 0 HD12 LEU A 75 38.371 12.067 1.426 1.00 22.94 H new ATOM 0 HD13 LEU A 75 36.999 11.070 0.888 1.00 22.94 H new ATOM 0 HD21 LEU A 75 36.286 12.883 -1.520 1.00 22.46 H new ATOM 0 HD22 LEU A 75 35.065 12.244 -0.394 1.00 22.46 H new ATOM 0 HD23 LEU A 75 35.189 13.998 -0.670 1.00 22.46 H new ATOM 1086 N PRO A 76 35.783 12.272 4.866 1.00 22.33 N ATOM 1087 CA PRO A 76 35.551 12.537 6.283 1.00 22.55 C ATOM 1088 C PRO A 76 35.697 14.028 6.575 1.00 23.16 C ATOM 1089 O PRO A 76 36.101 14.798 5.704 1.00 23.54 O ATOM 1090 CB PRO A 76 36.655 11.727 7.007 1.00 22.90 C ATOM 1091 CG PRO A 76 37.357 10.954 5.935 1.00 22.69 C ATOM 1092 CD PRO A 76 37.130 11.732 4.652 1.00 22.58 C ATOM 0 HA PRO A 76 34.549 12.255 6.606 1.00 22.55 H new ATOM 0 HB2 PRO A 76 37.346 12.388 7.530 1.00 22.90 H new ATOM 0 HB3 PRO A 76 36.225 11.059 7.754 1.00 22.90 H new ATOM 0 HG2 PRO A 76 38.421 10.860 6.153 1.00 22.69 H new ATOM 0 HG3 PRO A 76 36.957 9.943 5.856 1.00 22.69 H new ATOM 0 HD2 PRO A 76 37.870 12.520 4.515 1.00 22.58 H new ATOM 0 HD3 PRO A 76 37.179 11.092 3.771 1.00 22.58 H new ATOM 1100 N PRO A 77 35.381 14.454 7.800 1.00 23.33 N ATOM 1101 CA PRO A 77 35.461 15.864 8.191 1.00 24.01 C ATOM 1102 C PRO A 77 36.896 16.378 8.151 1.00 24.77 C ATOM 1103 O PRO A 77 37.809 15.759 8.699 1.00 25.03 O ATOM 1104 CB PRO A 77 34.918 15.861 9.623 1.00 24.14 C ATOM 1105 CG PRO A 77 35.241 14.500 10.109 1.00 23.57 C ATOM 1106 CD PRO A 77 35.005 13.594 8.930 1.00 23.01 C ATOM 0 HA PRO A 77 34.905 16.519 7.520 1.00 24.01 H new ATOM 0 HB2 PRO A 77 35.392 16.629 10.234 1.00 24.14 H new ATOM 0 HB3 PRO A 77 33.845 16.052 9.646 1.00 24.14 H new ATOM 0 HG2 PRO A 77 36.274 14.439 10.452 1.00 23.57 H new ATOM 0 HG3 PRO A 77 34.608 14.222 10.952 1.00 23.57 H new ATOM 0 HD2 PRO A 77 35.618 12.694 8.979 1.00 23.01 H new ATOM 0 HD3 PRO A 77 33.966 13.269 8.867 1.00 23.01 H new ATOM 1114 N GLY A 78 37.091 17.489 7.467 1.00 25.21 N ATOM 1115 CA GLY A 78 38.421 18.065 7.361 1.00 26.01 C ATOM 1116 C GLY A 78 39.297 17.449 6.268 1.00 25.92 C ATOM 1117 O GLY A 78 40.382 17.964 6.001 1.00 26.59 O ATOM 0 H GLY A 78 36.358 18.006 6.982 1.00 25.21 H new ATOM 0 HA2 GLY A 78 38.326 19.134 7.172 1.00 26.01 H new ATOM 0 HA3 GLY A 78 38.928 17.955 8.320 1.00 26.01 H new ATOM 1121 N TRP A 79 38.866 16.353 5.644 1.00 25.19 N ATOM 1122 CA TRP A 79 39.674 15.723 4.587 1.00 25.16 C ATOM 1123 C TRP A 79 39.191 16.146 3.195 1.00 24.97 C ATOM 1124 O TRP A 79 38.064 15.837 2.810 1.00 24.43 O ATOM 1125 CB TRP A 79 39.614 14.192 4.683 1.00 24.58 C ATOM 1126 CG TRP A 79 40.381 13.617 5.832 1.00 24.92 C ATOM 1127 CD1 TRP A 79 39.964 13.504 7.126 1.00 24.92 C ATOM 1128 CD2 TRP A 79 41.699 13.053 5.781 1.00 25.44 C ATOM 1129 NE1 TRP A 79 40.946 12.920 7.888 1.00 25.41 N ATOM 1130 CE2 TRP A 79 42.020 12.635 7.083 1.00 25.73 C ATOM 1131 CE3 TRP A 79 42.641 12.867 4.758 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 43.239 12.040 7.391 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 43.850 12.281 5.068 1.00 26.34 C ATOM 1134 CH2 TRP A 79 44.139 11.875 6.373 1.00 26.61 C ATOM 0 H TRP A 79 37.981 15.887 5.843 1.00 25.19 H new ATOM 0 HA TRP A 79 40.701 16.057 4.732 1.00 25.16 H new ATOM 0 HB2 TRP A 79 38.571 13.885 4.767 1.00 24.58 H new ATOM 0 HB3 TRP A 79 39.997 13.766 3.756 1.00 24.58 H new ATOM 0 HD1 TRP A 79 39.002 13.827 7.497 1.00 24.92 H new ATOM 0 HE1 TRP A 79 40.887 12.729 8.888 1.00 25.41 H new ATOM 0 HE3 TRP A 79 42.423 13.177 3.747 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 43.467 11.720 8.397 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 44.585 12.134 4.290 1.00 26.34 H new ATOM 0 HH2 TRP A 79 45.096 11.420 6.584 1.00 26.61 H new ATOM 1145 N GLU A 80 40.023 16.872 2.449 1.00 25.51 N ATOM 1146 CA GLU A 80 39.682 17.256 1.088 1.00 25.50 C ATOM 1147 C GLU A 80 40.490 16.414 0.106 1.00 25.52 C ATOM 1148 O GLU A 80 41.650 16.088 0.366 1.00 25.91 O ATOM 1149 CB GLU A 80 39.953 18.749 0.871 1.00 26.28 C ATOM 1150 CG GLU A 80 39.129 19.651 1.780 1.00 26.33 C ATOM 1151 CD GLU A 80 39.364 21.121 1.514 1.00 26.69 C ATOM 1152 OE1 GLU A 80 40.413 21.647 1.933 1.00 26.95 O ATOM 1153 OE2 GLU A 80 38.488 21.757 0.899 1.00 26.80 O ATOM 0 H GLU A 80 40.934 17.203 2.767 1.00 25.51 H new ATOM 0 HA GLU A 80 38.620 17.078 0.919 1.00 25.50 H new ATOM 0 HB2 GLU A 80 41.012 18.947 1.038 1.00 26.28 H new ATOM 0 HB3 GLU A 80 39.742 19.002 -0.168 1.00 26.28 H new ATOM 0 HG2 GLU A 80 38.071 19.426 1.645 1.00 26.33 H new ATOM 0 HG3 GLU A 80 39.372 19.431 2.820 1.00 26.33 H new ATOM 1160 N MET A 81 39.875 16.038 -1.008 1.00 25.18 N ATOM 1161 CA MET A 81 40.534 15.183 -1.983 1.00 25.27 C ATOM 1162 C MET A 81 40.308 15.720 -3.398 1.00 25.77 C ATOM 1163 O MET A 81 39.190 16.110 -3.741 1.00 25.60 O ATOM 1164 CB MET A 81 39.999 13.748 -1.848 1.00 24.50 C ATOM 1165 CG MET A 81 40.781 12.701 -2.632 1.00 24.68 C ATOM 1166 SD MET A 81 40.405 12.686 -4.398 1.00 24.52 S ATOM 1167 CE MET A 81 38.644 12.357 -4.362 1.00 24.27 C ATOM 0 H MET A 81 38.924 16.311 -1.257 1.00 25.18 H new ATOM 0 HA MET A 81 41.608 15.177 -1.794 1.00 25.27 H new ATOM 0 HB2 MET A 81 40.003 13.471 -0.794 1.00 24.50 H new ATOM 0 HB3 MET A 81 38.961 13.729 -2.179 1.00 24.50 H new ATOM 0 HG2 MET A 81 41.848 12.881 -2.498 1.00 24.68 H new ATOM 0 HG3 MET A 81 40.570 11.716 -2.216 1.00 24.68 H new ATOM 0 HE1 MET A 81 38.382 11.690 -5.183 1.00 24.27 H new ATOM 0 HE2 MET A 81 38.381 11.887 -3.414 1.00 24.27 H new ATOM 0 HE3 MET A 81 38.097 13.294 -4.467 1.00 24.27 H new ATOM 1177 N LYS A 82 41.372 15.765 -4.204 1.00 26.46 N ATOM 1178 CA LYS A 82 41.283 16.254 -5.579 1.00 27.08 C ATOM 1179 C LYS A 82 42.484 15.758 -6.385 1.00 27.55 C ATOM 1180 O LYS A 82 43.498 15.360 -5.809 1.00 27.58 O ATOM 1181 CB LYS A 82 41.157 17.801 -5.639 1.00 27.79 C ATOM 1182 CG LYS A 82 41.813 18.552 -4.494 1.00 27.45 C ATOM 1183 CD LYS A 82 41.800 20.045 -4.760 1.00 28.23 C ATOM 1184 CE LYS A 82 42.392 20.818 -3.594 1.00 28.14 C ATOM 1185 NZ LYS A 82 42.499 22.269 -3.884 1.00 28.22 N ATOM 0 H LYS A 82 42.307 15.467 -3.925 1.00 26.46 H new ATOM 0 HA LYS A 82 40.373 15.853 -6.025 1.00 27.08 H new ATOM 0 HB2 LYS A 82 41.593 18.148 -6.576 1.00 27.79 H new ATOM 0 HB3 LYS A 82 40.099 18.062 -5.664 1.00 27.79 H new ATOM 0 HG2 LYS A 82 41.288 18.338 -3.563 1.00 27.45 H new ATOM 0 HG3 LYS A 82 42.840 18.208 -4.367 1.00 27.45 H new ATOM 0 HD2 LYS A 82 42.366 20.260 -5.667 1.00 28.23 H new ATOM 0 HD3 LYS A 82 40.777 20.376 -4.937 1.00 28.23 H new ATOM 0 HE2 LYS A 82 41.772 20.670 -2.710 1.00 28.14 H new ATOM 0 HE3 LYS A 82 43.380 20.421 -3.361 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 42.908 22.758 -3.062 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 43.111 22.413 -4.712 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 41.553 22.654 -4.081 1.00 28.22 H new ATOM 1199 N TYR A 83 42.334 15.701 -7.707 1.00 27.96 N ATOM 1200 CA TYR A 83 43.403 15.199 -8.583 1.00 28.50 C ATOM 1201 C TYR A 83 44.132 16.356 -9.261 1.00 29.50 C ATOM 1202 O TYR A 83 43.529 17.392 -9.555 1.00 29.77 O ATOM 1203 CB TYR A 83 42.852 14.243 -9.663 1.00 28.32 C ATOM 1204 CG TYR A 83 42.512 12.846 -9.173 1.00 27.47 C ATOM 1205 CD1 TYR A 83 43.015 11.730 -9.832 1.00 27.19 C ATOM 1206 CD2 TYR A 83 41.699 12.637 -8.063 1.00 27.03 C ATOM 1207 CE1 TYR A 83 42.712 10.452 -9.405 1.00 26.48 C ATOM 1208 CE2 TYR A 83 41.393 11.361 -7.630 1.00 26.32 C ATOM 1209 CZ TYR A 83 41.905 10.272 -8.302 1.00 26.04 C ATOM 1210 OH TYR A 83 41.612 8.997 -7.866 1.00 25.39 O ATOM 0 H TYR A 83 41.489 15.993 -8.198 1.00 27.96 H new ATOM 0 HA TYR A 83 44.100 14.647 -7.953 1.00 28.50 H new ATOM 0 HB2 TYR A 83 41.956 14.687 -10.097 1.00 28.32 H new ATOM 0 HB3 TYR A 83 43.587 14.162 -10.464 1.00 28.32 H new ATOM 0 HD1 TYR A 83 43.654 11.865 -10.693 1.00 27.19 H new ATOM 0 HD2 TYR A 83 41.300 13.488 -7.530 1.00 27.03 H new ATOM 0 HE1 TYR A 83 43.106 9.597 -9.933 1.00 26.48 H new ATOM 0 HE2 TYR A 83 40.756 11.218 -6.770 1.00 26.32 H new ATOM 0 HH TYR A 83 42.357 8.398 -8.083 1.00 25.39 H new ATOM 1220 N THR A 84 45.423 16.163 -9.529 1.00 30.09 N ATOM 1221 CA THR A 84 46.238 17.182 -10.178 1.00 31.09 C ATOM 1222 C THR A 84 46.130 17.063 -11.703 1.00 31.47 C ATOM 1223 O THR A 84 45.422 16.192 -12.216 1.00 30.98 O ATOM 1224 CB THR A 84 47.728 17.079 -9.756 1.00 31.69 C ATOM 1225 OG1 THR A 84 48.365 15.962 -10.402 1.00 31.75 O ATOM 1226 CG2 THR A 84 47.865 16.922 -8.248 1.00 31.35 C ATOM 0 H THR A 84 45.926 15.305 -9.304 1.00 30.09 H new ATOM 0 HA THR A 84 45.858 18.152 -9.859 1.00 31.09 H new ATOM 0 HB THR A 84 48.215 18.005 -10.063 1.00 31.69 H new ATOM 0 HG1 THR A 84 49.333 16.007 -10.254 1.00 31.75 H new ATOM 0 HG21 THR A 84 48.920 16.853 -7.984 1.00 31.35 H new ATOM 0 HG22 THR A 84 47.422 17.785 -7.751 1.00 31.35 H new ATOM 0 HG23 THR A 84 47.351 16.016 -7.928 1.00 31.35 H new ATOM 1234 N SER A 85 46.854 17.915 -12.422 1.00 32.40 N ATOM 1235 CA SER A 85 46.812 17.931 -13.881 1.00 32.91 C ATOM 1236 C SER A 85 47.368 16.641 -14.496 1.00 33.07 C ATOM 1237 O SER A 85 46.824 16.130 -15.474 1.00 33.44 O ATOM 1238 CB SER A 85 47.591 19.139 -14.397 1.00 33.91 C ATOM 1239 OG SER A 85 48.744 19.370 -13.601 1.00 34.32 O ATOM 0 H SER A 85 47.481 18.608 -12.015 1.00 32.40 H new ATOM 0 HA SER A 85 45.767 18.002 -14.183 1.00 32.91 H new ATOM 0 HB2 SER A 85 47.886 18.972 -15.433 1.00 33.91 H new ATOM 0 HB3 SER A 85 46.952 20.022 -14.385 1.00 33.91 H new ATOM 0 HG SER A 85 49.435 18.714 -13.828 1.00 34.32 H new ATOM 1245 N GLU A 86 48.425 16.103 -13.901 1.00 32.82 N ATOM 1246 CA GLU A 86 49.075 14.888 -14.421 1.00 33.03 C ATOM 1247 C GLU A 86 48.380 13.624 -13.909 1.00 32.13 C ATOM 1248 O GLU A 86 48.892 12.515 -14.066 1.00 32.23 O ATOM 1249 CB GLU A 86 50.553 14.872 -14.021 1.00 33.61 C ATOM 1250 CG GLU A 86 51.463 15.723 -14.902 1.00 34.45 C ATOM 1251 CD GLU A 86 50.929 17.121 -15.152 1.00 34.93 C ATOM 1252 OE1 GLU A 86 50.908 17.926 -14.195 1.00 34.87 O ATOM 1253 OE2 GLU A 86 50.549 17.428 -16.301 1.00 35.43 O ATOM 0 H GLU A 86 48.857 16.482 -13.058 1.00 32.82 H new ATOM 0 HA GLU A 86 48.995 14.901 -15.508 1.00 33.03 H new ATOM 0 HB2 GLU A 86 50.640 15.218 -12.991 1.00 33.61 H new ATOM 0 HB3 GLU A 86 50.910 13.842 -14.042 1.00 33.61 H new ATOM 0 HG2 GLU A 86 52.444 15.796 -14.433 1.00 34.45 H new ATOM 0 HG3 GLU A 86 51.603 15.220 -15.859 1.00 34.45 H new ATOM 1260 N GLY A 87 47.228 13.800 -13.268 1.00 31.30 N ATOM 1261 CA GLY A 87 46.444 12.664 -12.811 1.00 30.42 C ATOM 1262 C GLY A 87 46.868 12.135 -11.455 1.00 30.02 C ATOM 1263 O GLY A 87 46.459 11.041 -11.059 1.00 29.44 O ATOM 0 H GLY A 87 46.822 14.711 -13.056 1.00 31.30 H new ATOM 0 HA2 GLY A 87 45.394 12.953 -12.766 1.00 30.42 H new ATOM 0 HA3 GLY A 87 46.522 11.862 -13.545 1.00 30.42 H new ATOM 1267 N VAL A 88 47.654 12.913 -10.725 1.00 30.40 N ATOM 1268 CA VAL A 88 48.115 12.490 -9.412 1.00 30.17 C ATOM 1269 C VAL A 88 47.092 12.868 -8.347 1.00 29.38 C ATOM 1270 O VAL A 88 46.524 13.955 -8.377 1.00 29.40 O ATOM 1271 CB VAL A 88 49.496 13.097 -9.069 1.00 31.05 C ATOM 1272 CG1 VAL A 88 49.951 12.666 -7.686 1.00 30.89 C ATOM 1273 CG2 VAL A 88 50.527 12.694 -10.113 1.00 31.86 C ATOM 0 H VAL A 88 47.983 13.833 -11.017 1.00 30.40 H new ATOM 0 HA VAL A 88 48.226 11.406 -9.433 1.00 30.17 H new ATOM 0 HB VAL A 88 49.398 14.183 -9.072 1.00 31.05 H new ATOM 0 HG11 VAL A 88 50.924 13.106 -7.470 1.00 30.89 H new ATOM 0 HG12 VAL A 88 49.227 13.002 -6.944 1.00 30.89 H new ATOM 0 HG13 VAL A 88 50.028 11.579 -7.651 1.00 30.89 H new ATOM 0 HG21 VAL A 88 51.493 13.129 -9.857 1.00 31.86 H new ATOM 0 HG22 VAL A 88 50.614 11.608 -10.139 1.00 31.86 H new ATOM 0 HG23 VAL A 88 50.214 13.056 -11.092 1.00 31.86 H new ATOM 1283 N ARG A 89 46.813 11.935 -7.457 1.00 28.74 N ATOM 1284 CA ARG A 89 45.847 12.141 -6.391 1.00 27.99 C ATOM 1285 C ARG A 89 46.544 12.634 -5.129 1.00 28.23 C ATOM 1286 O ARG A 89 47.509 12.024 -4.671 1.00 28.54 O ATOM 1287 CB ARG A 89 45.109 10.824 -6.131 1.00 27.21 C ATOM 1288 CG ARG A 89 44.142 10.841 -4.961 1.00 26.48 C ATOM 1289 CD ARG A 89 43.363 9.538 -4.904 1.00 25.83 C ATOM 1290 NE ARG A 89 42.596 9.376 -3.670 1.00 25.29 N ATOM 1291 CZ ARG A 89 41.483 8.648 -3.582 1.00 24.70 C ATOM 1292 NH1 ARG A 89 40.933 8.134 -4.677 1.00 24.55 N ATOM 1293 NH2 ARG A 89 40.905 8.454 -2.403 1.00 24.34 N ATOM 0 H ARG A 89 47.249 11.013 -7.451 1.00 28.74 H new ATOM 0 HA ARG A 89 45.127 12.903 -6.688 1.00 27.99 H new ATOM 0 HB2 ARG A 89 44.559 10.551 -7.032 1.00 27.21 H new ATOM 0 HB3 ARG A 89 45.847 10.041 -5.959 1.00 27.21 H new ATOM 0 HG2 ARG A 89 44.689 10.987 -4.030 1.00 26.48 H new ATOM 0 HG3 ARG A 89 43.454 11.680 -5.061 1.00 26.48 H new ATOM 0 HD2 ARG A 89 42.683 9.492 -5.755 1.00 25.83 H new ATOM 0 HD3 ARG A 89 44.057 8.703 -5.005 1.00 25.83 H new ATOM 0 HE ARG A 89 42.931 9.846 -2.829 1.00 25.29 H new ATOM 0 HH11 ARG A 89 41.363 8.296 -5.588 1.00 24.55 H new ATOM 0 HH12 ARG A 89 40.081 7.577 -4.607 1.00 24.55 H new ATOM 0 HH21 ARG A 89 41.313 8.862 -1.562 1.00 24.34 H new ATOM 0 HH22 ARG A 89 40.053 7.897 -2.338 1.00 24.34 H new ATOM 1307 N TYR A 90 46.067 13.740 -4.569 1.00 28.18 N ATOM 1308 CA TYR A 90 46.668 14.268 -3.357 1.00 28.46 C ATOM 1309 C TYR A 90 45.584 14.613 -2.336 1.00 27.80 C ATOM 1310 O TYR A 90 44.431 14.839 -2.709 1.00 27.31 O ATOM 1311 CB TYR A 90 47.570 15.482 -3.647 1.00 29.43 C ATOM 1312 CG TYR A 90 46.879 16.788 -3.981 1.00 29.57 C ATOM 1313 CD1 TYR A 90 46.284 17.005 -5.218 1.00 29.65 C ATOM 1314 CD2 TYR A 90 46.874 17.829 -3.063 1.00 29.70 C ATOM 1315 CE1 TYR A 90 45.708 18.222 -5.528 1.00 29.86 C ATOM 1316 CE2 TYR A 90 46.294 19.043 -3.362 1.00 29.91 C ATOM 1317 CZ TYR A 90 45.715 19.236 -4.597 1.00 30.05 C ATOM 1318 OH TYR A 90 45.150 20.453 -4.902 1.00 30.27 O ATOM 0 H TYR A 90 45.279 14.278 -4.930 1.00 28.18 H new ATOM 0 HA TYR A 90 47.308 13.493 -2.934 1.00 28.46 H new ATOM 0 HB2 TYR A 90 48.205 15.648 -2.777 1.00 29.43 H new ATOM 0 HB3 TYR A 90 48.228 15.225 -4.477 1.00 29.43 H new ATOM 0 HD1 TYR A 90 46.272 16.210 -5.949 1.00 29.65 H new ATOM 0 HD2 TYR A 90 47.333 17.685 -2.096 1.00 29.70 H new ATOM 0 HE1 TYR A 90 45.255 18.377 -6.496 1.00 29.86 H new ATOM 0 HE2 TYR A 90 46.293 19.839 -2.632 1.00 29.91 H new ATOM 0 HH TYR A 90 44.590 20.363 -5.701 1.00 30.27 H new ATOM 1328 N PHE A 91 45.934 14.620 -1.052 1.00 27.84 N ATOM 1329 CA PHE A 91 44.960 14.916 -0.012 1.00 27.29 C ATOM 1330 C PHE A 91 45.301 16.212 0.698 1.00 27.91 C ATOM 1331 O PHE A 91 46.472 16.573 0.842 1.00 28.69 O ATOM 1332 CB PHE A 91 44.876 13.782 1.007 1.00 26.81 C ATOM 1333 CG PHE A 91 43.965 12.659 0.594 1.00 26.08 C ATOM 1334 CD1 PHE A 91 42.740 12.460 1.217 1.00 25.34 C ATOM 1335 CD2 PHE A 91 44.342 11.795 -0.422 1.00 26.22 C ATOM 1336 CE1 PHE A 91 41.915 11.423 0.831 1.00 24.76 C ATOM 1337 CE2 PHE A 91 43.519 10.758 -0.812 1.00 25.66 C ATOM 1338 CZ PHE A 91 42.255 10.598 -0.154 1.00 24.89 C ATOM 0 H PHE A 91 46.876 14.426 -0.712 1.00 27.84 H new ATOM 0 HA PHE A 91 43.990 15.022 -0.498 1.00 27.29 H new ATOM 0 HB2 PHE A 91 45.876 13.383 1.175 1.00 26.81 H new ATOM 0 HB3 PHE A 91 44.530 14.186 1.958 1.00 26.81 H new ATOM 0 HD1 PHE A 91 42.430 13.123 2.011 1.00 25.34 H new ATOM 0 HD2 PHE A 91 45.293 11.935 -0.915 1.00 26.22 H new ATOM 0 HE1 PHE A 91 40.973 11.279 1.340 1.00 24.76 H new ATOM 0 HE2 PHE A 91 43.821 10.081 -1.597 1.00 25.66 H new ATOM 0 HZ PHE A 91 41.582 9.810 -0.458 1.00 24.89 H new ATOM 1348 N VAL A 92 44.264 16.920 1.113 1.00 27.61 N ATOM 1349 CA VAL A 92 44.419 18.177 1.819 1.00 28.23 C ATOM 1350 C VAL A 92 43.776 18.085 3.195 1.00 27.94 C ATOM 1351 O VAL A 92 42.546 18.060 3.309 1.00 27.26 O ATOM 1352 CB VAL A 92 43.774 19.349 1.049 1.00 28.37 C ATOM 1353 CG1 VAL A 92 44.054 20.679 1.740 1.00 29.13 C ATOM 1354 CG2 VAL A 92 44.252 19.383 -0.391 1.00 28.67 C ATOM 0 H VAL A 92 43.294 16.639 0.970 1.00 27.61 H new ATOM 0 HA VAL A 92 45.488 18.367 1.911 1.00 28.23 H new ATOM 0 HB VAL A 92 42.696 19.190 1.045 1.00 28.37 H new ATOM 0 HG11 VAL A 92 43.588 21.487 1.176 1.00 29.13 H new ATOM 0 HG12 VAL A 92 43.644 20.658 2.750 1.00 29.13 H new ATOM 0 HG13 VAL A 92 45.130 20.844 1.789 1.00 29.13 H new ATOM 0 HG21 VAL A 92 43.782 20.218 -0.911 1.00 28.67 H new ATOM 0 HG22 VAL A 92 45.335 19.505 -0.412 1.00 28.67 H new ATOM 0 HG23 VAL A 92 43.983 18.450 -0.886 1.00 28.67 H new ATOM 1364 N ASP A 93 44.599 17.946 4.228 1.00 28.50 N ATOM 1365 CA ASP A 93 44.088 17.929 5.596 1.00 28.42 C ATOM 1366 C ASP A 93 43.714 19.363 5.968 1.00 28.86 C ATOM 1367 O ASP A 93 44.571 20.139 6.382 1.00 29.70 O ATOM 1368 CB ASP A 93 45.139 17.393 6.588 1.00 29.01 C ATOM 1369 CG ASP A 93 45.572 15.974 6.295 1.00 28.68 C ATOM 1370 OD1 ASP A 93 44.973 15.037 6.856 1.00 28.33 O ATOM 1371 OD2 ASP A 93 46.538 15.797 5.523 1.00 28.82 O ATOM 0 H ASP A 93 45.611 17.845 4.148 1.00 28.50 H new ATOM 0 HA ASP A 93 43.224 17.267 5.651 1.00 28.42 H new ATOM 0 HB2 ASP A 93 46.013 18.044 6.567 1.00 29.01 H new ATOM 0 HB3 ASP A 93 44.732 17.440 7.598 1.00 29.01 H new ATOM 1376 N HIS A 94 42.454 19.740 5.751 1.00 28.36 N ATOM 1377 CA HIS A 94 42.005 21.104 5.983 1.00 28.81 C ATOM 1378 C HIS A 94 41.933 21.399 7.481 1.00 29.31 C ATOM 1379 O HIS A 94 41.877 22.555 7.896 1.00 29.90 O ATOM 1380 CB HIS A 94 40.636 21.303 5.313 1.00 28.18 C ATOM 1381 CG HIS A 94 40.246 22.737 5.152 1.00 28.49 C ATOM 1382 ND1 HIS A 94 40.197 23.373 3.934 1.00 28.32 N ATOM 1383 CD2 HIS A 94 39.864 23.642 6.063 1.00 29.05 C ATOM 1384 CE1 HIS A 94 39.816 24.623 4.108 1.00 28.75 C ATOM 1385 NE2 HIS A 94 39.602 24.814 5.399 1.00 29.20 N ATOM 0 H HIS A 94 41.725 19.112 5.413 1.00 28.36 H new ATOM 0 HA HIS A 94 42.719 21.802 5.546 1.00 28.81 H new ATOM 0 HB2 HIS A 94 40.649 20.827 4.332 1.00 28.18 H new ATOM 0 HB3 HIS A 94 39.875 20.793 5.904 1.00 28.18 H new ATOM 0 HD1 HIS A 94 40.421 22.944 3.036 1.00 28.32 H new ATOM 0 HD2 HIS A 94 39.778 23.479 7.127 1.00 29.05 H new ATOM 0 HE1 HIS A 94 39.699 25.363 3.330 1.00 28.75 H new ATOM 1394 N ASN A 95 42.013 20.350 8.290 1.00 29.17 N ATOM 1395 CA ASN A 95 41.954 20.496 9.738 1.00 29.71 C ATOM 1396 C ASN A 95 43.271 21.069 10.269 1.00 30.73 C ATOM 1397 O ASN A 95 43.275 21.866 11.205 1.00 31.42 O ATOM 1398 CB ASN A 95 41.620 19.145 10.417 1.00 29.28 C ATOM 1399 CG ASN A 95 42.702 18.088 10.248 1.00 29.19 C ATOM 1400 OD1 ASN A 95 43.610 17.978 11.071 1.00 29.80 O ATOM 1401 ND2 ASN A 95 42.598 17.283 9.195 1.00 28.49 N ATOM 0 H ASN A 95 42.119 19.388 7.967 1.00 29.17 H new ATOM 0 HA ASN A 95 41.154 21.195 9.982 1.00 29.71 H new ATOM 0 HB2 ASN A 95 41.454 19.315 11.481 1.00 29.28 H new ATOM 0 HB3 ASN A 95 40.685 18.764 10.006 1.00 29.28 H new ATOM 0 HD21 ASN A 95 43.285 16.544 9.048 1.00 28.49 H new ATOM 0 HD22 ASN A 95 41.831 17.405 8.534 1.00 28.49 H new ATOM 1408 N THR A 96 44.382 20.711 9.631 1.00 30.87 N ATOM 1409 CA THR A 96 45.692 21.215 10.035 1.00 31.86 C ATOM 1410 C THR A 96 46.281 22.141 8.974 1.00 32.23 C ATOM 1411 O THR A 96 47.285 22.816 9.217 1.00 33.14 O ATOM 1412 CB THR A 96 46.672 20.053 10.282 1.00 31.96 C ATOM 1413 OG1 THR A 96 46.508 19.060 9.259 1.00 31.19 O ATOM 1414 CG2 THR A 96 46.450 19.426 11.650 1.00 32.02 C ATOM 0 H THR A 96 44.402 20.075 8.834 1.00 30.87 H new ATOM 0 HA THR A 96 45.549 21.776 10.958 1.00 31.86 H new ATOM 0 HB THR A 96 47.687 20.449 10.252 1.00 31.96 H new ATOM 0 HG1 THR A 96 47.074 19.285 8.491 1.00 31.19 H new ATOM 0 HG21 THR A 96 47.157 18.609 11.795 1.00 32.02 H new ATOM 0 HG22 THR A 96 46.602 20.178 12.424 1.00 32.02 H new ATOM 0 HG23 THR A 96 45.432 19.041 11.713 1.00 32.02 H new ATOM 1422 N ARG A 97 45.635 22.169 7.810 1.00 31.56 N ATOM 1423 CA ARG A 97 46.089 22.963 6.663 1.00 31.87 C ATOM 1424 C ARG A 97 47.456 22.493 6.193 1.00 32.27 C ATOM 1425 O ARG A 97 48.475 23.161 6.373 1.00 33.03 O ATOM 1426 CB ARG A 97 46.096 24.454 6.977 1.00 32.70 C ATOM 1427 CG ARG A 97 44.701 25.027 7.085 1.00 32.43 C ATOM 1428 CD ARG A 97 44.732 26.545 7.173 1.00 33.36 C ATOM 1429 NE ARG A 97 45.615 27.011 8.245 1.00 33.97 N ATOM 1430 CZ ARG A 97 46.161 28.225 8.287 1.00 34.73 C ATOM 1431 NH1 ARG A 97 45.915 29.104 7.329 1.00 35.00 N ATOM 1432 NH2 ARG A 97 46.966 28.547 9.289 1.00 35.29 N ATOM 0 H ARG A 97 44.780 21.642 7.632 1.00 31.56 H new ATOM 0 HA ARG A 97 45.378 22.810 5.851 1.00 31.87 H new ATOM 0 HB2 ARG A 97 46.629 24.623 7.913 1.00 32.70 H new ATOM 0 HB3 ARG A 97 46.644 24.984 6.198 1.00 32.70 H new ATOM 0 HG2 ARG A 97 44.113 24.723 6.219 1.00 32.43 H new ATOM 0 HG3 ARG A 97 44.205 24.620 7.966 1.00 32.43 H new ATOM 0 HD2 ARG A 97 45.067 26.957 6.221 1.00 33.36 H new ATOM 0 HD3 ARG A 97 43.723 26.920 7.345 1.00 33.36 H new ATOM 0 HE ARG A 97 45.825 26.366 9.007 1.00 33.97 H new ATOM 0 HH11 ARG A 97 45.304 28.854 6.552 1.00 35.00 H new ATOM 0 HH12 ARG A 97 46.337 30.032 7.368 1.00 35.00 H new ATOM 0 HH21 ARG A 97 47.164 27.867 10.023 1.00 35.29 H new ATOM 0 HH22 ARG A 97 47.387 29.475 9.327 1.00 35.29 H new ATOM 1446 N THR A 98 47.444 21.328 5.579 1.00 31.75 N ATOM 1447 CA THR A 98 48.653 20.663 5.114 1.00 32.09 C ATOM 1448 C THR A 98 48.344 19.818 3.881 1.00 31.35 C ATOM 1449 O THR A 98 47.193 19.433 3.678 1.00 30.48 O ATOM 1450 CB THR A 98 49.219 19.745 6.221 1.00 32.35 C ATOM 1451 OG1 THR A 98 48.135 19.141 6.950 1.00 32.15 O ATOM 1452 CG2 THR A 98 50.113 20.519 7.187 1.00 32.59 C ATOM 0 H THR A 98 46.589 20.808 5.385 1.00 31.75 H new ATOM 0 HA THR A 98 49.389 21.426 4.862 1.00 32.09 H new ATOM 0 HB THR A 98 49.823 18.974 5.742 1.00 32.35 H new ATOM 0 HG1 THR A 98 48.489 18.453 7.551 1.00 32.15 H new ATOM 0 HG21 THR A 98 50.493 19.842 7.952 1.00 32.59 H new ATOM 0 HG22 THR A 98 50.949 20.955 6.640 1.00 32.59 H new ATOM 0 HG23 THR A 98 49.536 21.313 7.660 1.00 32.59 H new ATOM 1460 N THR A 99 49.347 19.537 3.061 1.00 31.74 N ATOM 1461 CA THR A 99 49.150 18.701 1.882 1.00 31.18 C ATOM 1462 C THR A 99 49.902 17.378 2.059 1.00 31.15 C ATOM 1463 O THR A 99 51.097 17.389 2.366 1.00 31.92 O ATOM 1464 CB THR A 99 49.655 19.422 0.603 1.00 31.73 C ATOM 1465 OG1 THR A 99 50.929 20.032 0.871 1.00 32.77 O ATOM 1466 CG2 THR A 99 48.666 20.503 0.136 1.00 31.59 C ATOM 0 H THR A 99 50.302 19.873 3.188 1.00 31.74 H new ATOM 0 HA THR A 99 48.083 18.506 1.770 1.00 31.18 H new ATOM 0 HB THR A 99 49.747 18.679 -0.189 1.00 31.73 H new ATOM 0 HG1 THR A 99 51.486 19.412 1.386 1.00 32.77 H new ATOM 0 HG21 THR A 99 49.052 20.986 -0.761 1.00 31.59 H new ATOM 0 HG22 THR A 99 47.703 20.044 -0.086 1.00 31.59 H new ATOM 0 HG23 THR A 99 48.541 21.246 0.923 1.00 31.59 H new ATOM 1474 N THR A 100 49.223 16.244 1.900 1.00 30.32 N ATOM 1475 CA THR A 100 49.880 14.959 2.076 1.00 30.31 C ATOM 1476 C THR A 100 49.564 14.018 0.916 1.00 29.79 C ATOM 1477 O THR A 100 48.569 14.193 0.205 1.00 29.19 O ATOM 1478 CB THR A 100 49.499 14.283 3.422 1.00 29.94 C ATOM 1479 OG1 THR A 100 50.356 13.159 3.667 1.00 30.23 O ATOM 1480 CG2 THR A 100 48.050 13.809 3.426 1.00 28.90 C ATOM 0 H THR A 100 48.235 16.192 1.654 1.00 30.32 H new ATOM 0 HA THR A 100 50.952 15.158 2.093 1.00 30.31 H new ATOM 0 HB THR A 100 49.621 15.030 4.207 1.00 29.94 H new ATOM 0 HG1 THR A 100 50.110 12.740 4.518 1.00 30.23 H new ATOM 0 HG21 THR A 100 47.823 13.342 4.384 1.00 28.90 H new ATOM 0 HG22 THR A 100 47.388 14.661 3.271 1.00 28.90 H new ATOM 0 HG23 THR A 100 47.902 13.085 2.625 1.00 28.90 H new ATOM 1488 N PHE A 101 50.444 13.054 0.701 1.00 30.11 N ATOM 1489 CA PHE A 101 50.268 12.080 -0.357 1.00 29.74 C ATOM 1490 C PHE A 101 50.004 10.699 0.217 1.00 29.28 C ATOM 1491 O PHE A 101 50.923 10.021 0.678 1.00 29.75 O ATOM 1492 CB PHE A 101 51.495 12.046 -1.272 1.00 30.55 C ATOM 1493 CG PHE A 101 51.467 13.104 -2.336 1.00 30.86 C ATOM 1494 CD1 PHE A 101 50.968 12.832 -3.601 1.00 30.67 C ATOM 1495 CD2 PHE A 101 51.954 14.372 -2.071 1.00 31.41 C ATOM 1496 CE1 PHE A 101 50.958 13.806 -4.582 1.00 31.03 C ATOM 1497 CE2 PHE A 101 51.945 15.347 -3.043 1.00 31.76 C ATOM 1498 CZ PHE A 101 51.384 15.056 -4.310 1.00 31.57 C ATOM 0 H PHE A 101 51.293 12.927 1.252 1.00 30.11 H new ATOM 0 HA PHE A 101 49.402 12.380 -0.947 1.00 29.74 H new ATOM 0 HB2 PHE A 101 52.394 12.170 -0.668 1.00 30.55 H new ATOM 0 HB3 PHE A 101 51.561 11.066 -1.745 1.00 30.55 H new ATOM 0 HD1 PHE A 101 50.583 11.848 -3.822 1.00 30.67 H new ATOM 0 HD2 PHE A 101 52.346 14.599 -1.090 1.00 31.41 H new ATOM 0 HE1 PHE A 101 50.606 13.564 -5.574 1.00 31.03 H new ATOM 0 HE2 PHE A 101 52.361 16.323 -2.841 1.00 31.76 H new ATOM 0 HZ PHE A 101 51.298 15.832 -5.056 1.00 31.57 H new