USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -107:sc= 2 (180deg=-0.0227) USER MOD Set 1.2: A 59 MET CE :methyl 176:sc= -0.259 (180deg=-0.325) USER MOD Single : A 21 TYR OH : rot 22:sc= 1.21 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 1.37 (180deg=0.636) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0.984) USER MOD Single : A 29 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.26) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -130:sc= 0.235 USER MOD Single : A 35 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.22) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.11) USER MOD Single : A 40 MET CE :methyl -112:sc= -0.0358 (180deg=-0.483) USER MOD Single : A 41 THR OG1 : rot -24:sc= -0.436 USER MOD Single : A 42 THR OG1 : rot 152:sc= -1.64! USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 1.64! (180deg=1.44!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 2.45 (180deg=2.24) USER MOD Single : A 50 SER OG : rot 73:sc= 1.29 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.539 USER MOD Single : A 52 CYS SG : rot 66:sc= -0.11 USER MOD Single : A 53 GLN : amide:sc= 0.22 X(o=0.22,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.2) USER MOD Single : A 60 ASN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 61 SER OG : rot -79:sc= 1.35 USER MOD Single : A 69 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.3!) USER MOD Single : A 74 ASN : amide:sc= 0.00636 K(o=0.0064,f=-2.4!) USER MOD Single : A 75 HIS : no HD1:sc= 0.722 K(o=0.72,f=-4.5!) USER MOD Single : A 76 THR OG1 : rot -41:sc= 0.535 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 162:sc= 1.29 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.91) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00743 USER MOD Single : B 357 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.3) USER MOD Single : B 358 ASN : amide:sc= -0.0136 K(o=-0.014,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.388 6.193 9.597 1.00 10.00 N ATOM 2 CA TYR A 21 2.651 5.348 8.413 1.00 10.00 C ATOM 3 C TYR A 21 1.349 4.739 7.912 1.00 10.00 C ATOM 4 O TYR A 21 0.436 4.495 8.696 1.00 10.00 O ATOM 5 CB TYR A 21 3.645 4.235 8.761 1.00 10.00 C ATOM 6 CG TYR A 21 5.032 4.445 8.190 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.691 3.416 7.526 1.00 10.00 C ATOM 8 CD2 TYR A 21 5.682 5.665 8.314 1.00 10.00 C ATOM 9 CE1 TYR A 21 6.956 3.598 7.002 1.00 10.00 C ATOM 10 CE2 TYR A 21 6.947 5.854 7.792 1.00 10.00 C ATOM 11 CZ TYR A 21 7.579 4.817 7.138 1.00 10.00 C ATOM 12 OH TYR A 21 8.839 5.006 6.617 1.00 10.00 O ATOM 0 HA TYR A 21 3.082 5.970 7.629 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.718 4.154 9.846 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.253 3.285 8.396 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.205 2.458 7.418 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.191 6.479 8.827 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.453 2.788 6.489 1.00 10.00 H new ATOM 0 HE2 TYR A 21 7.439 6.810 7.896 1.00 10.00 H new ATOM 0 HH TYR A 21 9.003 4.347 5.911 1.00 10.00 H new ATOM 22 N ILE A 22 1.260 4.523 6.609 1.00 10.00 N ATOM 23 CA ILE A 22 0.072 3.936 6.005 1.00 10.00 C ATOM 24 C ILE A 22 0.361 2.491 5.623 1.00 10.00 C ATOM 25 O ILE A 22 1.193 2.224 4.759 1.00 10.00 O ATOM 26 CB ILE A 22 -0.382 4.718 4.748 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.846 6.130 5.124 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.491 3.969 4.014 1.00 10.00 C ATOM 29 CD1 ILE A 22 -2.136 6.162 5.915 1.00 10.00 C ATOM 0 H ILE A 22 2.001 4.747 5.945 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.734 3.982 6.738 1.00 10.00 H new ATOM 0 HB ILE A 22 0.474 4.805 4.078 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.063 6.616 5.705 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.976 6.714 4.213 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.794 4.537 3.135 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.126 2.990 3.705 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.347 3.844 4.678 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -2.398 7.195 6.143 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.934 5.706 5.329 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -2.007 5.607 6.844 1.00 10.00 H new ATOM 41 N LYS A 23 -0.311 1.563 6.281 1.00 10.00 N ATOM 42 CA LYS A 23 -0.113 0.152 6.008 1.00 10.00 C ATOM 43 C LYS A 23 -1.219 -0.377 5.100 1.00 10.00 C ATOM 44 O LYS A 23 -2.348 -0.614 5.543 1.00 10.00 O ATOM 45 CB LYS A 23 -0.071 -0.633 7.316 1.00 10.00 C ATOM 46 CG LYS A 23 0.338 -2.082 7.146 1.00 10.00 C ATOM 47 CD LYS A 23 -0.226 -2.947 8.261 1.00 10.00 C ATOM 48 CE LYS A 23 -1.615 -3.475 7.919 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.619 -2.384 7.772 1.00 10.00 N ATOM 0 H LYS A 23 -0.998 1.762 7.008 1.00 10.00 H new ATOM 0 HA LYS A 23 0.840 0.025 5.494 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.625 -0.146 7.999 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.055 -0.595 7.783 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.014 -2.451 6.183 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.425 -2.157 7.139 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.446 -3.785 8.447 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.274 -2.367 9.182 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.565 -4.046 6.992 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.941 -4.162 8.700 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.576 -2.792 7.760 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.534 -1.724 8.571 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.449 -1.873 6.882 1.00 10.00 H new ATOM 63 N LEU A 24 -0.887 -0.551 3.832 1.00 10.00 N ATOM 64 CA LEU A 24 -1.838 -1.043 2.844 1.00 10.00 C ATOM 65 C LEU A 24 -1.827 -2.566 2.797 1.00 10.00 C ATOM 66 O LEU A 24 -0.819 -3.198 3.122 1.00 10.00 O ATOM 67 CB LEU A 24 -1.497 -0.490 1.458 1.00 10.00 C ATOM 68 CG LEU A 24 -1.446 1.034 1.357 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.694 1.456 0.106 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.849 1.614 1.353 1.00 10.00 C ATOM 0 H LEU A 24 0.042 -0.357 3.458 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.832 -0.704 3.135 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.530 -0.890 1.153 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -2.234 -0.860 0.746 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.916 1.421 2.228 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.666 2.544 0.048 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.324 1.068 0.145 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.200 1.059 -0.774 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.793 2.700 1.281 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.403 1.221 0.500 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -3.360 1.338 2.275 1.00 10.00 H new ATOM 82 N LYS A 25 -2.948 -3.149 2.399 1.00 10.00 N ATOM 83 CA LYS A 25 -3.059 -4.594 2.292 1.00 10.00 C ATOM 84 C LYS A 25 -3.077 -5.007 0.828 1.00 10.00 C ATOM 85 O LYS A 25 -4.030 -4.720 0.100 1.00 10.00 O ATOM 86 CB LYS A 25 -4.317 -5.109 2.996 1.00 10.00 C ATOM 87 CG LYS A 25 -4.144 -5.303 4.495 1.00 10.00 C ATOM 88 CD LYS A 25 -5.185 -6.264 5.058 1.00 10.00 C ATOM 89 CE LYS A 25 -4.841 -7.713 4.742 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.887 -8.660 5.223 1.00 10.00 N ATOM 0 H LYS A 25 -3.795 -2.641 2.144 1.00 10.00 H new ATOM 0 HA LYS A 25 -2.192 -5.036 2.783 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -5.133 -4.408 2.821 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.611 -6.058 2.547 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -3.145 -5.687 4.700 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -4.226 -4.340 4.999 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.255 -6.133 6.138 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -6.164 -6.024 4.644 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.717 -7.828 3.665 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.886 -7.966 5.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.452 -9.582 5.430 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -6.326 -8.283 6.087 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.613 -8.777 4.488 1.00 10.00 H new ATOM 104 N VAL A 26 -2.011 -5.661 0.400 1.00 10.00 N ATOM 105 CA VAL A 26 -1.894 -6.122 -0.973 1.00 10.00 C ATOM 106 C VAL A 26 -2.344 -7.572 -1.065 1.00 10.00 C ATOM 107 O VAL A 26 -1.851 -8.424 -0.324 1.00 10.00 O ATOM 108 CB VAL A 26 -0.445 -6.011 -1.497 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.421 -6.017 -3.018 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.240 -4.765 -0.950 1.00 10.00 C ATOM 0 H VAL A 26 -1.209 -5.886 0.988 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.528 -5.485 -1.589 1.00 10.00 H new ATOM 0 HB VAL A 26 0.109 -6.881 -1.143 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.609 -5.938 -3.366 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.858 -6.946 -3.385 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.997 -5.172 -3.394 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.259 -4.711 -1.334 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.313 -3.879 -1.262 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.265 -4.812 0.139 1.00 10.00 H new ATOM 120 N ILE A 27 -3.284 -7.850 -1.952 1.00 10.00 N ATOM 121 CA ILE A 27 -3.786 -9.208 -2.114 1.00 10.00 C ATOM 122 C ILE A 27 -3.065 -9.914 -3.254 1.00 10.00 C ATOM 123 O ILE A 27 -3.111 -9.472 -4.404 1.00 10.00 O ATOM 124 CB ILE A 27 -5.309 -9.230 -2.374 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.057 -8.514 -1.246 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.811 -10.661 -2.515 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.852 -9.135 0.123 1.00 10.00 C ATOM 0 H ILE A 27 -3.714 -7.160 -2.568 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.592 -9.735 -1.180 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.502 -8.703 -3.309 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.734 -7.473 -1.213 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.122 -8.510 -1.476 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.886 -10.653 -2.698 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.304 -11.144 -3.351 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.603 -11.212 -1.598 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.414 -8.570 0.867 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.202 -10.167 0.110 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.792 -9.114 0.377 1.00 10.00 H new ATOM 139 N GLY A 28 -2.385 -11.002 -2.919 1.00 10.00 N ATOM 140 CA GLY A 28 -1.668 -11.769 -3.916 1.00 10.00 C ATOM 141 C GLY A 28 -2.557 -12.799 -4.580 1.00 10.00 C ATOM 142 O GLY A 28 -3.633 -13.117 -4.069 1.00 10.00 O ATOM 0 H GLY A 28 -2.318 -11.368 -1.969 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -1.265 -11.095 -4.672 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.819 -12.268 -3.449 1.00 10.00 H new ATOM 146 N GLN A 29 -2.104 -13.335 -5.707 1.00 10.00 N ATOM 147 CA GLN A 29 -2.875 -14.327 -6.452 1.00 10.00 C ATOM 148 C GLN A 29 -3.102 -15.590 -5.626 1.00 10.00 C ATOM 149 O GLN A 29 -4.097 -16.288 -5.809 1.00 10.00 O ATOM 150 CB GLN A 29 -2.167 -14.678 -7.761 1.00 10.00 C ATOM 151 CG GLN A 29 -3.040 -15.450 -8.738 1.00 10.00 C ATOM 152 CD GLN A 29 -4.312 -14.704 -9.099 1.00 10.00 C ATOM 153 OE1 GLN A 29 -4.339 -13.922 -10.051 1.00 10.00 O ATOM 154 NE2 GLN A 29 -5.375 -14.943 -8.346 1.00 10.00 N ATOM 0 H GLN A 29 -1.205 -13.100 -6.127 1.00 10.00 H new ATOM 0 HA GLN A 29 -3.848 -13.890 -6.678 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -1.827 -13.759 -8.238 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.278 -15.268 -7.537 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -2.472 -15.652 -9.646 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -3.300 -16.415 -8.303 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -5.311 -15.598 -7.567 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -6.258 -14.472 -8.546 1.00 10.00 H new ATOM 163 N ASP A 30 -2.184 -15.870 -4.710 1.00 10.00 N ATOM 164 CA ASP A 30 -2.282 -17.049 -3.855 1.00 10.00 C ATOM 165 C ASP A 30 -3.015 -16.718 -2.556 1.00 10.00 C ATOM 166 O ASP A 30 -2.832 -17.391 -1.540 1.00 10.00 O ATOM 167 CB ASP A 30 -0.887 -17.601 -3.544 1.00 10.00 C ATOM 168 CG ASP A 30 -0.023 -16.612 -2.784 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.370 -15.581 -3.375 1.00 10.00 O ATOM 170 OD2 ASP A 30 0.277 -16.859 -1.596 1.00 10.00 O ATOM 0 H ASP A 30 -1.359 -15.295 -4.539 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.852 -17.809 -4.390 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.985 -18.516 -2.960 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.391 -17.870 -4.477 1.00 10.00 H new ATOM 175 N SER A 31 -3.846 -15.677 -2.606 1.00 10.00 N ATOM 176 CA SER A 31 -4.621 -15.235 -1.450 1.00 10.00 C ATOM 177 C SER A 31 -3.700 -14.798 -0.312 1.00 10.00 C ATOM 178 O SER A 31 -3.971 -15.056 0.863 1.00 10.00 O ATOM 179 CB SER A 31 -5.570 -16.343 -0.984 1.00 10.00 C ATOM 180 OG SER A 31 -6.430 -16.749 -2.035 1.00 10.00 O ATOM 0 H SER A 31 -4.000 -15.119 -3.446 1.00 10.00 H new ATOM 0 HA SER A 31 -5.219 -14.374 -1.749 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.992 -17.197 -0.631 1.00 10.00 H new ATOM 0 HB3 SER A 31 -6.162 -15.989 -0.141 1.00 10.00 H new ATOM 0 HG SER A 31 -7.026 -17.458 -1.715 1.00 10.00 H new ATOM 186 N SER A 32 -2.607 -14.143 -0.670 1.00 10.00 N ATOM 187 CA SER A 32 -1.650 -13.659 0.308 1.00 10.00 C ATOM 188 C SER A 32 -1.976 -12.217 0.681 1.00 10.00 C ATOM 189 O SER A 32 -2.443 -11.448 -0.159 1.00 10.00 O ATOM 190 CB SER A 32 -0.239 -13.763 -0.266 1.00 10.00 C ATOM 191 OG SER A 32 -0.256 -13.594 -1.675 1.00 10.00 O ATOM 0 H SER A 32 -2.361 -13.934 -1.638 1.00 10.00 H new ATOM 0 HA SER A 32 -1.707 -14.269 1.210 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.400 -13.006 0.188 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.190 -14.734 -0.016 1.00 10.00 H new ATOM 0 HG SER A 32 0.251 -14.319 -2.098 1.00 10.00 H new ATOM 197 N GLU A 33 -1.752 -11.855 1.935 1.00 10.00 N ATOM 198 CA GLU A 33 -2.036 -10.502 2.393 1.00 10.00 C ATOM 199 C GLU A 33 -0.742 -9.784 2.759 1.00 10.00 C ATOM 200 O GLU A 33 -0.200 -9.961 3.852 1.00 10.00 O ATOM 201 CB GLU A 33 -2.984 -10.531 3.595 1.00 10.00 C ATOM 202 CG GLU A 33 -4.186 -11.441 3.402 1.00 10.00 C ATOM 203 CD GLU A 33 -4.653 -12.066 4.699 1.00 10.00 C ATOM 204 OE1 GLU A 33 -5.126 -11.319 5.582 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.558 -13.308 4.837 1.00 10.00 O ATOM 0 H GLU A 33 -1.376 -12.476 2.652 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.520 -9.958 1.582 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.430 -10.857 4.476 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.334 -9.518 3.795 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -5.004 -10.870 2.963 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.931 -12.229 2.694 1.00 10.00 H new ATOM 212 N ILE A 34 -0.245 -8.975 1.839 1.00 10.00 N ATOM 213 CA ILE A 34 0.995 -8.245 2.062 1.00 10.00 C ATOM 214 C ILE A 34 0.722 -6.920 2.764 1.00 10.00 C ATOM 215 O ILE A 34 -0.123 -6.138 2.331 1.00 10.00 O ATOM 216 CB ILE A 34 1.749 -7.974 0.744 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.559 -9.130 -0.249 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.229 -7.753 1.023 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.212 -10.430 0.180 1.00 10.00 C ATOM 0 H ILE A 34 -0.679 -8.806 0.931 1.00 10.00 H new ATOM 0 HA ILE A 34 1.622 -8.874 2.695 1.00 10.00 H new ATOM 0 HB ILE A 34 1.335 -7.072 0.294 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.492 -9.301 -0.390 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.965 -8.834 -1.216 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.752 -7.563 0.086 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.350 -6.897 1.686 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.646 -8.641 1.497 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.031 -11.195 -0.575 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.285 -10.278 0.293 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.789 -10.753 1.131 1.00 10.00 H new ATOM 231 N HIS A 35 1.434 -6.685 3.852 1.00 10.00 N ATOM 232 CA HIS A 35 1.292 -5.465 4.630 1.00 10.00 C ATOM 233 C HIS A 35 2.402 -4.490 4.260 1.00 10.00 C ATOM 234 O HIS A 35 3.514 -4.564 4.793 1.00 10.00 O ATOM 235 CB HIS A 35 1.357 -5.770 6.133 1.00 10.00 C ATOM 236 CG HIS A 35 0.177 -6.522 6.677 1.00 10.00 C ATOM 237 ND1 HIS A 35 -0.156 -6.450 8.008 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.695 -7.349 6.049 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.210 -7.230 8.161 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.573 -7.798 7.003 1.00 10.00 N ATOM 0 H HIS A 35 2.128 -7.335 4.222 1.00 10.00 H new ATOM 0 HA HIS A 35 0.322 -5.021 4.406 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.260 -6.346 6.333 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.452 -4.830 6.676 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -0.698 -7.605 5.000 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -1.716 -7.390 9.101 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -2.352 -8.440 6.859 1.00 10.00 H new ATOM 248 N PHE A 36 2.113 -3.592 3.335 1.00 10.00 N ATOM 249 CA PHE A 36 3.101 -2.618 2.905 1.00 10.00 C ATOM 250 C PHE A 36 2.951 -1.331 3.701 1.00 10.00 C ATOM 251 O PHE A 36 1.945 -0.632 3.586 1.00 10.00 O ATOM 252 CB PHE A 36 2.972 -2.324 1.410 1.00 10.00 C ATOM 253 CG PHE A 36 4.299 -2.152 0.719 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.386 -1.610 1.390 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.460 -2.545 -0.599 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.605 -1.459 0.757 1.00 10.00 C ATOM 257 CE2 PHE A 36 5.677 -2.395 -1.236 1.00 10.00 C ATOM 258 CZ PHE A 36 6.750 -1.854 -0.558 1.00 10.00 C ATOM 0 H PHE A 36 1.208 -3.517 2.870 1.00 10.00 H new ATOM 0 HA PHE A 36 4.090 -3.040 3.086 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.425 -3.137 0.933 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.380 -1.419 1.275 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.278 -1.302 2.420 1.00 10.00 H new ATOM 0 HD2 PHE A 36 3.626 -2.973 -1.135 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.442 -1.033 1.290 1.00 10.00 H new ATOM 0 HE2 PHE A 36 5.788 -2.702 -2.266 1.00 10.00 H new ATOM 0 HZ PHE A 36 7.702 -1.740 -1.055 1.00 10.00 H new ATOM 268 N LYS A 37 3.951 -1.029 4.513 1.00 10.00 N ATOM 269 CA LYS A 37 3.924 0.171 5.324 1.00 10.00 C ATOM 270 C LYS A 37 4.609 1.321 4.595 1.00 10.00 C ATOM 271 O LYS A 37 5.836 1.377 4.508 1.00 10.00 O ATOM 272 CB LYS A 37 4.586 -0.088 6.676 1.00 10.00 C ATOM 273 CG LYS A 37 3.735 0.368 7.849 1.00 10.00 C ATOM 274 CD LYS A 37 4.417 0.099 9.180 1.00 10.00 C ATOM 275 CE LYS A 37 4.587 -1.390 9.428 1.00 10.00 C ATOM 276 NZ LYS A 37 4.999 -1.675 10.824 1.00 10.00 N ATOM 0 H LYS A 37 4.789 -1.599 4.626 1.00 10.00 H new ATOM 0 HA LYS A 37 2.886 0.451 5.500 1.00 10.00 H new ATOM 0 HB2 LYS A 37 4.792 -1.154 6.776 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.546 0.426 6.709 1.00 10.00 H new ATOM 0 HG2 LYS A 37 3.529 1.434 7.755 1.00 10.00 H new ATOM 0 HG3 LYS A 37 2.774 -0.146 7.823 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.393 0.585 9.195 1.00 10.00 H new ATOM 0 HD3 LYS A 37 3.830 0.538 9.986 1.00 10.00 H new ATOM 0 HE2 LYS A 37 3.649 -1.903 9.214 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.333 -1.790 8.741 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 5.104 -2.702 10.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 5.907 -1.207 11.021 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.275 -1.317 11.480 1.00 10.00 H new ATOM 290 N VAL A 38 3.799 2.227 4.066 1.00 10.00 N ATOM 291 CA VAL A 38 4.300 3.372 3.326 1.00 10.00 C ATOM 292 C VAL A 38 4.210 4.646 4.167 1.00 10.00 C ATOM 293 O VAL A 38 3.598 4.651 5.237 1.00 10.00 O ATOM 294 CB VAL A 38 3.519 3.564 2.001 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.301 2.227 1.307 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.182 4.254 2.236 1.00 10.00 C ATOM 0 H VAL A 38 2.782 2.188 4.138 1.00 10.00 H new ATOM 0 HA VAL A 38 5.346 3.178 3.090 1.00 10.00 H new ATOM 0 HB VAL A 38 4.122 4.204 1.356 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.751 2.384 0.379 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.266 1.771 1.084 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.730 1.567 1.960 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.662 4.372 1.286 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.574 3.650 2.910 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.352 5.234 2.681 1.00 10.00 H new ATOM 306 N LYS A 39 4.819 5.721 3.684 1.00 10.00 N ATOM 307 CA LYS A 39 4.799 6.995 4.390 1.00 10.00 C ATOM 308 C LYS A 39 4.126 8.056 3.531 1.00 10.00 C ATOM 309 O LYS A 39 4.331 8.101 2.317 1.00 10.00 O ATOM 310 CB LYS A 39 6.225 7.434 4.746 1.00 10.00 C ATOM 311 CG LYS A 39 6.294 8.730 5.546 1.00 10.00 C ATOM 312 CD LYS A 39 7.735 9.165 5.773 1.00 10.00 C ATOM 313 CE LYS A 39 7.818 10.575 6.339 1.00 10.00 C ATOM 314 NZ LYS A 39 9.212 11.102 6.326 1.00 10.00 N ATOM 0 H LYS A 39 5.334 5.736 2.804 1.00 10.00 H new ATOM 0 HA LYS A 39 4.233 6.872 5.313 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.706 6.640 5.317 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.797 7.556 3.826 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.754 9.515 5.017 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.798 8.593 6.507 1.00 10.00 H new ATOM 0 HD2 LYS A 39 8.221 8.470 6.457 1.00 10.00 H new ATOM 0 HD3 LYS A 39 8.281 9.119 4.831 1.00 10.00 H new ATOM 0 HE2 LYS A 39 7.175 11.237 5.759 1.00 10.00 H new ATOM 0 HE3 LYS A 39 7.439 10.578 7.361 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 9.191 12.140 6.389 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.737 10.716 7.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.682 10.818 5.443 1.00 10.00 H new ATOM 328 N MET A 40 3.321 8.906 4.155 1.00 10.00 N ATOM 329 CA MET A 40 2.627 9.968 3.434 1.00 10.00 C ATOM 330 C MET A 40 3.591 11.114 3.115 1.00 10.00 C ATOM 331 O MET A 40 3.432 12.235 3.601 1.00 10.00 O ATOM 332 CB MET A 40 1.439 10.477 4.261 1.00 10.00 C ATOM 333 CG MET A 40 0.507 11.414 3.502 1.00 10.00 C ATOM 334 SD MET A 40 -0.276 10.632 2.078 1.00 10.00 S ATOM 335 CE MET A 40 -1.349 9.438 2.878 1.00 10.00 C ATOM 0 H MET A 40 3.132 8.882 5.157 1.00 10.00 H new ATOM 0 HA MET A 40 2.250 9.566 2.494 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.865 9.621 4.617 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.819 10.995 5.142 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.265 11.776 4.180 1.00 10.00 H new ATOM 0 HG3 MET A 40 1.071 12.284 3.167 1.00 10.00 H new ATOM 0 HE1 MET A 40 -0.992 8.430 2.667 1.00 10.00 H new ATOM 0 HE2 MET A 40 -1.343 9.607 3.955 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.365 9.550 2.499 1.00 10.00 H new ATOM 345 N THR A 41 4.610 10.807 2.317 1.00 10.00 N ATOM 346 CA THR A 41 5.626 11.780 1.913 1.00 10.00 C ATOM 347 C THR A 41 6.400 11.263 0.698 1.00 10.00 C ATOM 348 O THR A 41 6.747 12.022 -0.206 1.00 10.00 O ATOM 349 CB THR A 41 6.640 12.064 3.052 1.00 10.00 C ATOM 350 OG1 THR A 41 5.954 12.321 4.283 1.00 10.00 O ATOM 351 CG2 THR A 41 7.526 13.254 2.717 1.00 10.00 C ATOM 0 H THR A 41 4.757 9.875 1.930 1.00 10.00 H new ATOM 0 HA THR A 41 5.102 12.704 1.669 1.00 10.00 H new ATOM 0 HB THR A 41 7.266 11.178 3.160 1.00 10.00 H new ATOM 0 HG1 THR A 41 5.047 12.640 4.092 1.00 10.00 H new ATOM 0 HG21 THR A 41 8.226 13.428 3.534 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.081 13.048 1.802 1.00 10.00 H new ATOM 0 HG23 THR A 41 6.907 14.140 2.575 1.00 10.00 H new ATOM 359 N THR A 42 6.660 9.963 0.692 1.00 10.00 N ATOM 360 CA THR A 42 7.405 9.324 -0.380 1.00 10.00 C ATOM 361 C THR A 42 6.530 9.034 -1.596 1.00 10.00 C ATOM 362 O THR A 42 5.315 8.849 -1.479 1.00 10.00 O ATOM 363 CB THR A 42 8.011 8.006 0.121 1.00 10.00 C ATOM 364 OG1 THR A 42 8.017 8.014 1.551 1.00 10.00 O ATOM 365 CG2 THR A 42 9.430 7.822 -0.402 1.00 10.00 C ATOM 0 H THR A 42 6.361 9.324 1.429 1.00 10.00 H new ATOM 0 HA THR A 42 8.190 10.016 -0.684 1.00 10.00 H new ATOM 0 HB THR A 42 7.408 7.176 -0.247 1.00 10.00 H new ATOM 0 HG1 THR A 42 7.962 7.094 1.884 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.835 6.880 -0.032 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.417 7.808 -1.492 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.055 8.646 -0.057 1.00 10.00 H new ATOM 373 N HIS A 43 7.160 9.005 -2.758 1.00 10.00 N ATOM 374 CA HIS A 43 6.468 8.721 -4.003 1.00 10.00 C ATOM 375 C HIS A 43 6.281 7.217 -4.150 1.00 10.00 C ATOM 376 O HIS A 43 7.086 6.433 -3.641 1.00 10.00 O ATOM 377 CB HIS A 43 7.261 9.267 -5.193 1.00 10.00 C ATOM 378 CG HIS A 43 7.644 10.709 -5.051 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.867 11.077 -4.548 1.00 10.00 N ATOM 380 CD2 HIS A 43 6.940 11.821 -5.363 1.00 10.00 C ATOM 381 CE1 HIS A 43 8.882 12.400 -4.565 1.00 10.00 C ATOM 382 NE2 HIS A 43 7.734 12.895 -5.051 1.00 10.00 N ATOM 0 H HIS A 43 8.160 9.177 -2.865 1.00 10.00 H new ATOM 0 HA HIS A 43 5.493 9.208 -3.984 1.00 10.00 H new ATOM 0 HB2 HIS A 43 8.165 8.671 -5.320 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.669 9.145 -6.100 1.00 10.00 H new ATOM 0 HD2 HIS A 43 5.944 11.856 -5.778 1.00 10.00 H new ATOM 0 HE1 HIS A 43 9.712 13.004 -4.230 1.00 10.00 H new ATOM 0 HE2 HIS A 43 7.497 13.880 -5.166 1.00 10.00 H new ATOM 390 N LEU A 44 5.243 6.815 -4.872 1.00 10.00 N ATOM 391 CA LEU A 44 4.947 5.399 -5.067 1.00 10.00 C ATOM 392 C LEU A 44 5.986 4.719 -5.959 1.00 10.00 C ATOM 393 O LEU A 44 5.968 3.499 -6.125 1.00 10.00 O ATOM 394 CB LEU A 44 3.540 5.228 -5.640 1.00 10.00 C ATOM 395 CG LEU A 44 2.412 5.582 -4.663 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.077 5.672 -5.383 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.340 4.558 -3.543 1.00 10.00 C ATOM 0 H LEU A 44 4.591 7.449 -5.333 1.00 10.00 H new ATOM 0 HA LEU A 44 4.992 4.911 -4.093 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.444 5.852 -6.528 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.415 4.194 -5.962 1.00 10.00 H new ATOM 0 HG LEU A 44 2.632 6.558 -4.231 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.294 5.924 -4.668 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.129 6.444 -6.151 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.849 4.713 -5.847 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.535 4.824 -2.858 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.148 3.571 -3.964 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.286 4.543 -3.002 1.00 10.00 H new ATOM 409 N LYS A 45 6.895 5.508 -6.525 1.00 10.00 N ATOM 410 CA LYS A 45 7.956 4.976 -7.373 1.00 10.00 C ATOM 411 C LYS A 45 8.815 3.996 -6.575 1.00 10.00 C ATOM 412 O LYS A 45 9.029 2.855 -6.991 1.00 10.00 O ATOM 413 CB LYS A 45 8.826 6.123 -7.907 1.00 10.00 C ATOM 414 CG LYS A 45 10.102 5.670 -8.604 1.00 10.00 C ATOM 415 CD LYS A 45 9.803 4.894 -9.873 1.00 10.00 C ATOM 416 CE LYS A 45 11.066 4.318 -10.489 1.00 10.00 C ATOM 417 NZ LYS A 45 10.758 3.385 -11.605 1.00 10.00 N ATOM 0 H LYS A 45 6.917 6.521 -6.411 1.00 10.00 H new ATOM 0 HA LYS A 45 7.508 4.451 -8.217 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.236 6.716 -8.605 1.00 10.00 H new ATOM 0 HB3 LYS A 45 9.092 6.778 -7.077 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.714 6.540 -8.845 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.686 5.048 -7.926 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.106 4.086 -9.650 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.313 5.549 -10.593 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.694 5.129 -10.856 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.638 3.793 -9.723 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.936 2.407 -11.299 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.759 3.487 -11.877 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.363 3.608 -12.421 1.00 10.00 H new ATOM 431 N LYS A 46 9.270 4.449 -5.411 1.00 10.00 N ATOM 432 CA LYS A 46 10.104 3.642 -4.526 1.00 10.00 C ATOM 433 C LYS A 46 9.344 2.405 -4.049 1.00 10.00 C ATOM 434 O LYS A 46 9.923 1.337 -3.863 1.00 10.00 O ATOM 435 CB LYS A 46 10.554 4.488 -3.322 1.00 10.00 C ATOM 436 CG LYS A 46 11.224 3.688 -2.210 1.00 10.00 C ATOM 437 CD LYS A 46 12.711 3.489 -2.467 1.00 10.00 C ATOM 438 CE LYS A 46 13.520 4.718 -2.080 1.00 10.00 C ATOM 439 NZ LYS A 46 13.570 4.925 -0.607 1.00 10.00 N ATOM 0 H LYS A 46 9.072 5.384 -5.055 1.00 10.00 H new ATOM 0 HA LYS A 46 10.983 3.310 -5.079 1.00 10.00 H new ATOM 0 HB2 LYS A 46 11.246 5.255 -3.670 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.687 5.004 -2.911 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.086 4.203 -1.259 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.739 2.716 -2.119 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.066 2.627 -1.901 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.871 3.266 -3.522 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.535 4.617 -2.464 1.00 10.00 H new ATOM 0 HE3 LYS A 46 13.086 5.599 -2.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 14.227 5.701 -0.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.620 5.166 -0.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 13.898 4.053 -0.145 1.00 10.00 H new ATOM 453 N LEU A 47 8.042 2.554 -3.876 1.00 10.00 N ATOM 454 CA LEU A 47 7.198 1.462 -3.410 1.00 10.00 C ATOM 455 C LEU A 47 7.080 0.358 -4.457 1.00 10.00 C ATOM 456 O LEU A 47 7.246 -0.823 -4.146 1.00 10.00 O ATOM 457 CB LEU A 47 5.801 1.983 -3.045 1.00 10.00 C ATOM 458 CG LEU A 47 5.672 2.629 -1.660 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.150 1.678 -0.578 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.437 3.942 -1.591 1.00 10.00 C ATOM 0 H LEU A 47 7.542 3.425 -4.052 1.00 10.00 H new ATOM 0 HA LEU A 47 7.669 1.040 -2.523 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.498 2.713 -3.796 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.097 1.153 -3.105 1.00 10.00 H new ATOM 0 HG LEU A 47 4.617 2.845 -1.491 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.050 2.156 0.397 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.548 0.770 -0.600 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.196 1.425 -0.752 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.326 4.376 -0.597 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.493 3.759 -1.792 1.00 10.00 H new ATOM 0 HD23 LEU A 47 6.041 4.633 -2.335 1.00 10.00 H new ATOM 472 N LYS A 48 6.815 0.748 -5.697 1.00 10.00 N ATOM 473 CA LYS A 48 6.656 -0.210 -6.786 1.00 10.00 C ATOM 474 C LYS A 48 7.929 -1.021 -7.028 1.00 10.00 C ATOM 475 O LYS A 48 7.871 -2.244 -7.177 1.00 10.00 O ATOM 476 CB LYS A 48 6.240 0.510 -8.073 1.00 10.00 C ATOM 477 CG LYS A 48 4.863 1.155 -7.996 1.00 10.00 C ATOM 478 CD LYS A 48 4.531 1.927 -9.265 1.00 10.00 C ATOM 479 CE LYS A 48 4.289 0.998 -10.444 1.00 10.00 C ATOM 480 NZ LYS A 48 3.965 1.745 -11.687 1.00 10.00 N ATOM 0 H LYS A 48 6.705 1.723 -5.975 1.00 10.00 H new ATOM 0 HA LYS A 48 5.872 -0.907 -6.491 1.00 10.00 H new ATOM 0 HB2 LYS A 48 6.979 1.278 -8.304 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.252 -0.203 -8.898 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.109 0.385 -7.831 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.824 1.828 -7.140 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.645 2.539 -9.097 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.349 2.608 -9.501 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.175 0.386 -10.610 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.471 0.318 -10.207 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.074 1.116 -12.508 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 2.984 2.087 -11.640 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.610 2.555 -11.783 1.00 10.00 H new ATOM 494 N GLU A 49 9.077 -0.350 -7.053 1.00 10.00 N ATOM 495 CA GLU A 49 10.347 -1.033 -7.298 1.00 10.00 C ATOM 496 C GLU A 49 10.734 -1.943 -6.134 1.00 10.00 C ATOM 497 O GLU A 49 11.307 -3.014 -6.344 1.00 10.00 O ATOM 498 CB GLU A 49 11.465 -0.025 -7.582 1.00 10.00 C ATOM 499 CG GLU A 49 11.626 1.041 -6.515 1.00 10.00 C ATOM 500 CD GLU A 49 12.797 1.957 -6.786 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.798 1.880 -6.048 1.00 10.00 O ATOM 502 OE2 GLU A 49 12.725 2.759 -7.741 1.00 10.00 O ATOM 0 H GLU A 49 9.156 0.657 -6.908 1.00 10.00 H new ATOM 0 HA GLU A 49 10.211 -1.660 -8.179 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.407 -0.564 -7.687 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.267 0.460 -8.538 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.712 1.632 -6.456 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.760 0.562 -5.545 1.00 10.00 H new ATOM 509 N SER A 50 10.415 -1.531 -4.913 1.00 10.00 N ATOM 510 CA SER A 50 10.742 -2.328 -3.737 1.00 10.00 C ATOM 511 C SER A 50 9.908 -3.606 -3.702 1.00 10.00 C ATOM 512 O SER A 50 10.373 -4.649 -3.241 1.00 10.00 O ATOM 513 CB SER A 50 10.532 -1.510 -2.463 1.00 10.00 C ATOM 514 OG SER A 50 11.381 -0.375 -2.453 1.00 10.00 O ATOM 0 H SER A 50 9.933 -0.655 -4.712 1.00 10.00 H new ATOM 0 HA SER A 50 11.793 -2.611 -3.795 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.491 -1.193 -2.395 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.734 -2.130 -1.589 1.00 10.00 H new ATOM 0 HG SER A 50 11.056 0.282 -3.103 1.00 10.00 H new ATOM 520 N TYR A 51 8.680 -3.525 -4.203 1.00 10.00 N ATOM 521 CA TYR A 51 7.801 -4.686 -4.235 1.00 10.00 C ATOM 522 C TYR A 51 8.327 -5.716 -5.225 1.00 10.00 C ATOM 523 O TYR A 51 8.336 -6.915 -4.946 1.00 10.00 O ATOM 524 CB TYR A 51 6.378 -4.278 -4.616 1.00 10.00 C ATOM 525 CG TYR A 51 5.334 -5.327 -4.289 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.761 -5.394 -3.026 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.924 -6.249 -5.245 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.808 -6.348 -2.724 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.970 -7.205 -4.952 1.00 10.00 C ATOM 530 CZ TYR A 51 3.418 -7.252 -3.690 1.00 10.00 C ATOM 531 OH TYR A 51 2.469 -8.203 -3.394 1.00 10.00 O ATOM 0 H TYR A 51 8.274 -2.673 -4.590 1.00 10.00 H new ATOM 0 HA TYR A 51 7.780 -5.126 -3.238 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.124 -3.353 -4.099 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.344 -4.066 -5.685 1.00 10.00 H new ATOM 0 HD1 TYR A 51 5.065 -4.689 -2.267 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.358 -6.218 -6.233 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.371 -6.386 -1.737 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.659 -7.911 -5.708 1.00 10.00 H new ATOM 0 HH TYR A 51 2.307 -8.760 -4.184 1.00 10.00 H new ATOM 541 N CYS A 52 8.778 -5.236 -6.379 1.00 10.00 N ATOM 542 CA CYS A 52 9.318 -6.110 -7.412 1.00 10.00 C ATOM 543 C CYS A 52 10.539 -6.861 -6.883 1.00 10.00 C ATOM 544 O CYS A 52 10.696 -8.061 -7.110 1.00 10.00 O ATOM 545 CB CYS A 52 9.696 -5.297 -8.655 1.00 10.00 C ATOM 546 SG CYS A 52 8.359 -4.265 -9.302 1.00 10.00 S ATOM 0 H CYS A 52 8.780 -4.245 -6.622 1.00 10.00 H new ATOM 0 HA CYS A 52 8.552 -6.835 -7.689 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.547 -4.660 -8.414 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.022 -5.982 -9.438 1.00 10.00 H new ATOM 0 HG CYS A 52 8.066 -3.341 -8.436 1.00 10.00 H new ATOM 552 N GLN A 53 11.384 -6.145 -6.148 1.00 10.00 N ATOM 553 CA GLN A 53 12.586 -6.729 -5.569 1.00 10.00 C ATOM 554 C GLN A 53 12.228 -7.752 -4.496 1.00 10.00 C ATOM 555 O GLN A 53 12.943 -8.728 -4.293 1.00 10.00 O ATOM 556 CB GLN A 53 13.469 -5.628 -4.976 1.00 10.00 C ATOM 557 CG GLN A 53 14.156 -4.776 -6.031 1.00 10.00 C ATOM 558 CD GLN A 53 14.792 -3.527 -5.455 1.00 10.00 C ATOM 559 OE1 GLN A 53 15.940 -3.545 -5.013 1.00 10.00 O ATOM 560 NE2 GLN A 53 14.055 -2.431 -5.459 1.00 10.00 N ATOM 0 H GLN A 53 11.256 -5.155 -5.939 1.00 10.00 H new ATOM 0 HA GLN A 53 13.136 -7.241 -6.359 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.859 -4.986 -4.340 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.226 -6.083 -4.337 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.921 -5.371 -6.530 1.00 10.00 H new ATOM 0 HG3 GLN A 53 13.429 -4.490 -6.791 1.00 10.00 H new ATOM 0 HE21 GLN A 53 13.107 -2.455 -5.834 1.00 10.00 H new ATOM 0 HE22 GLN A 53 14.434 -1.560 -5.087 1.00 10.00 H new ATOM 569 N ARG A 54 11.106 -7.526 -3.825 1.00 10.00 N ATOM 570 CA ARG A 54 10.641 -8.426 -2.776 1.00 10.00 C ATOM 571 C ARG A 54 10.184 -9.756 -3.371 1.00 10.00 C ATOM 572 O ARG A 54 10.442 -10.819 -2.809 1.00 10.00 O ATOM 573 CB ARG A 54 9.490 -7.781 -2.001 1.00 10.00 C ATOM 574 CG ARG A 54 8.982 -8.614 -0.832 1.00 10.00 C ATOM 575 CD ARG A 54 9.847 -8.432 0.406 1.00 10.00 C ATOM 576 NE ARG A 54 9.097 -8.682 1.636 1.00 10.00 N ATOM 577 CZ ARG A 54 9.430 -8.193 2.827 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.508 -7.430 2.968 1.00 10.00 N ATOM 579 NH2 ARG A 54 8.674 -8.467 3.877 1.00 10.00 N ATOM 0 H ARG A 54 10.498 -6.723 -3.989 1.00 10.00 H new ATOM 0 HA ARG A 54 11.470 -8.616 -2.094 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.817 -6.811 -1.627 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.664 -7.596 -2.687 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.955 -8.331 -0.603 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.967 -9.667 -1.114 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.699 -9.110 0.356 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.247 -7.418 0.424 1.00 10.00 H new ATOM 0 HE ARG A 54 8.265 -9.269 1.577 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.089 -7.214 2.158 1.00 10.00 H new ATOM 0 HH12 ARG A 54 10.754 -7.060 3.886 1.00 10.00 H new ATOM 0 HH21 ARG A 54 7.843 -9.049 3.769 1.00 10.00 H new ATOM 0 HH22 ARG A 54 8.922 -8.096 4.794 1.00 10.00 H new ATOM 593 N GLN A 55 9.511 -9.688 -4.516 1.00 10.00 N ATOM 594 CA GLN A 55 9.013 -10.889 -5.178 1.00 10.00 C ATOM 595 C GLN A 55 10.108 -11.558 -6.006 1.00 10.00 C ATOM 596 O GLN A 55 9.979 -12.715 -6.404 1.00 10.00 O ATOM 597 CB GLN A 55 7.812 -10.551 -6.066 1.00 10.00 C ATOM 598 CG GLN A 55 6.631 -9.971 -5.300 1.00 10.00 C ATOM 599 CD GLN A 55 6.241 -10.815 -4.101 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.713 -10.589 -2.986 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.382 -11.797 -4.320 1.00 10.00 N ATOM 0 H GLN A 55 9.299 -8.817 -5.003 1.00 10.00 H new ATOM 0 HA GLN A 55 8.696 -11.589 -4.405 1.00 10.00 H new ATOM 0 HB2 GLN A 55 8.124 -9.838 -6.829 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.489 -11.453 -6.585 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.879 -8.964 -4.965 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.776 -9.882 -5.971 1.00 10.00 H new ATOM 0 HE21 GLN A 55 5.013 -11.952 -5.258 1.00 10.00 H new ATOM 0 HE22 GLN A 55 5.088 -12.399 -3.551 1.00 10.00 H new ATOM 610 N GLY A 56 11.180 -10.823 -6.264 1.00 10.00 N ATOM 611 CA GLY A 56 12.281 -11.367 -7.032 1.00 10.00 C ATOM 612 C GLY A 56 12.043 -11.276 -8.527 1.00 10.00 C ATOM 613 O GLY A 56 12.375 -12.198 -9.273 1.00 10.00 O ATOM 0 H GLY A 56 11.307 -9.859 -5.955 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.196 -10.832 -6.779 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.434 -12.410 -6.754 1.00 10.00 H new ATOM 617 N VAL A 57 11.460 -10.168 -8.961 1.00 10.00 N ATOM 618 CA VAL A 57 11.175 -9.946 -10.375 1.00 10.00 C ATOM 619 C VAL A 57 11.560 -8.523 -10.770 1.00 10.00 C ATOM 620 O VAL A 57 11.599 -7.632 -9.922 1.00 10.00 O ATOM 621 CB VAL A 57 9.680 -10.176 -10.705 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.338 -11.658 -10.670 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.790 -9.400 -9.748 1.00 10.00 C ATOM 0 H VAL A 57 11.173 -9.403 -8.351 1.00 10.00 H new ATOM 0 HA VAL A 57 11.766 -10.666 -10.941 1.00 10.00 H new ATOM 0 HB VAL A 57 9.499 -9.808 -11.715 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.282 -11.793 -10.905 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.944 -12.189 -11.404 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.542 -12.055 -9.676 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.744 -9.577 -9.999 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.979 -9.730 -8.727 1.00 10.00 H new ATOM 0 HG23 VAL A 57 9.008 -8.335 -9.831 1.00 10.00 H new ATOM 633 N PRO A 58 11.887 -8.294 -12.052 1.00 10.00 N ATOM 634 CA PRO A 58 12.248 -6.961 -12.540 1.00 10.00 C ATOM 635 C PRO A 58 11.057 -6.011 -12.474 1.00 10.00 C ATOM 636 O PRO A 58 9.910 -6.450 -12.429 1.00 10.00 O ATOM 637 CB PRO A 58 12.663 -7.206 -13.995 1.00 10.00 C ATOM 638 CG PRO A 58 12.001 -8.484 -14.371 1.00 10.00 C ATOM 639 CD PRO A 58 11.943 -9.308 -13.118 1.00 10.00 C ATOM 0 HA PRO A 58 13.034 -6.497 -11.945 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.341 -6.389 -14.641 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.746 -7.279 -14.090 1.00 10.00 H new ATOM 0 HG2 PRO A 58 11.001 -8.303 -14.765 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.563 -8.999 -15.150 1.00 10.00 H new ATOM 0 HD2 PRO A 58 11.067 -9.957 -13.103 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.818 -9.950 -13.017 1.00 10.00 H new ATOM 647 N MET A 59 11.320 -4.714 -12.470 1.00 10.00 N ATOM 648 CA MET A 59 10.248 -3.732 -12.393 1.00 10.00 C ATOM 649 C MET A 59 9.403 -3.732 -13.669 1.00 10.00 C ATOM 650 O MET A 59 9.832 -4.237 -14.708 1.00 10.00 O ATOM 651 CB MET A 59 10.820 -2.337 -12.128 1.00 10.00 C ATOM 652 CG MET A 59 9.774 -1.329 -11.679 1.00 10.00 C ATOM 653 SD MET A 59 10.489 0.152 -10.946 1.00 10.00 S ATOM 654 CE MET A 59 9.015 0.928 -10.292 1.00 10.00 C ATOM 0 H MET A 59 12.259 -4.318 -12.519 1.00 10.00 H new ATOM 0 HA MET A 59 9.598 -4.008 -11.562 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.595 -2.409 -11.365 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.300 -1.971 -13.036 1.00 10.00 H new ATOM 0 HG2 MET A 59 9.162 -1.044 -12.535 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.110 -1.801 -10.955 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.291 1.827 -9.741 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.350 1.195 -11.113 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.505 0.235 -9.623 1.00 10.00 H new ATOM 664 N ASN A 60 8.180 -3.204 -13.546 1.00 10.00 N ATOM 665 CA ASN A 60 7.213 -3.094 -14.649 1.00 10.00 C ATOM 666 C ASN A 60 6.498 -4.417 -14.908 1.00 10.00 C ATOM 667 O ASN A 60 5.450 -4.443 -15.552 1.00 10.00 O ATOM 668 CB ASN A 60 7.872 -2.579 -15.938 1.00 10.00 C ATOM 669 CG ASN A 60 6.866 -1.979 -16.904 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.297 -0.917 -16.647 1.00 10.00 O ATOM 671 ND2 ASN A 60 6.645 -2.645 -18.027 1.00 10.00 N ATOM 0 H ASN A 60 7.827 -2.834 -12.663 1.00 10.00 H new ATOM 0 HA ASN A 60 6.468 -2.362 -14.337 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.621 -1.828 -15.685 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.396 -3.400 -16.427 1.00 10.00 H new ATOM 0 HD21 ASN A 60 5.985 -2.281 -18.714 1.00 10.00 H new ATOM 0 HD22 ASN A 60 7.135 -3.522 -18.205 1.00 10.00 H new ATOM 678 N SER A 61 7.054 -5.510 -14.395 1.00 10.00 N ATOM 679 CA SER A 61 6.449 -6.825 -14.568 1.00 10.00 C ATOM 680 C SER A 61 5.145 -6.907 -13.783 1.00 10.00 C ATOM 681 O SER A 61 4.169 -7.507 -14.232 1.00 10.00 O ATOM 682 CB SER A 61 7.408 -7.923 -14.103 1.00 10.00 C ATOM 683 OG SER A 61 7.728 -7.770 -12.730 1.00 10.00 O ATOM 0 H SER A 61 7.921 -5.511 -13.857 1.00 10.00 H new ATOM 0 HA SER A 61 6.239 -6.973 -15.627 1.00 10.00 H new ATOM 0 HB2 SER A 61 6.955 -8.900 -14.268 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.320 -7.890 -14.699 1.00 10.00 H new ATOM 0 HG SER A 61 8.402 -7.066 -12.628 1.00 10.00 H new ATOM 689 N LEU A 62 5.145 -6.294 -12.608 1.00 10.00 N ATOM 690 CA LEU A 62 3.978 -6.276 -11.748 1.00 10.00 C ATOM 691 C LEU A 62 3.277 -4.928 -11.837 1.00 10.00 C ATOM 692 O LEU A 62 3.895 -3.881 -11.631 1.00 10.00 O ATOM 693 CB LEU A 62 4.384 -6.552 -10.299 1.00 10.00 C ATOM 694 CG LEU A 62 5.005 -7.925 -10.042 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.526 -8.011 -8.617 1.00 10.00 C ATOM 696 CD2 LEU A 62 3.992 -9.031 -10.301 1.00 10.00 C ATOM 0 H LEU A 62 5.952 -5.798 -12.228 1.00 10.00 H new ATOM 0 HA LEU A 62 3.292 -7.055 -12.080 1.00 10.00 H new ATOM 0 HB2 LEU A 62 5.094 -5.787 -9.987 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.503 -6.446 -9.666 1.00 10.00 H new ATOM 0 HG LEU A 62 5.841 -8.057 -10.729 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.965 -8.994 -8.449 1.00 10.00 H new ATOM 0 HD12 LEU A 62 6.284 -7.243 -8.460 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.703 -7.857 -7.919 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.455 -10.000 -10.112 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.136 -8.903 -9.639 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.659 -8.984 -11.338 1.00 10.00 H new ATOM 708 N ARG A 63 1.994 -4.957 -12.152 1.00 10.00 N ATOM 709 CA ARG A 63 1.210 -3.740 -12.262 1.00 10.00 C ATOM 710 C ARG A 63 0.279 -3.599 -11.068 1.00 10.00 C ATOM 711 O ARG A 63 -0.507 -4.502 -10.760 1.00 10.00 O ATOM 712 CB ARG A 63 0.414 -3.710 -13.571 1.00 10.00 C ATOM 713 CG ARG A 63 -0.457 -4.936 -13.808 1.00 10.00 C ATOM 714 CD ARG A 63 -1.295 -4.779 -15.066 1.00 10.00 C ATOM 715 NE ARG A 63 -2.060 -5.984 -15.385 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.362 -6.361 -16.629 1.00 10.00 C ATOM 717 NH1 ARG A 63 -1.905 -5.671 -17.666 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.107 -7.441 -16.841 1.00 10.00 N ATOM 0 H ARG A 63 1.472 -5.813 -12.337 1.00 10.00 H new ATOM 0 HA ARG A 63 1.899 -2.895 -12.270 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.220 -2.823 -13.576 1.00 10.00 H new ATOM 0 HB3 ARG A 63 1.111 -3.609 -14.403 1.00 10.00 H new ATOM 0 HG2 ARG A 63 0.173 -5.821 -13.895 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.110 -5.093 -12.950 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -1.980 -3.941 -14.940 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -0.643 -4.534 -15.904 1.00 10.00 H new ATOM 0 HE ARG A 63 -2.381 -6.569 -14.613 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.320 -4.849 -17.514 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -2.138 -5.963 -18.615 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -3.451 -7.986 -16.051 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -3.335 -7.724 -17.794 1.00 10.00 H new ATOM 732 N PHE A 64 0.386 -2.469 -10.387 1.00 10.00 N ATOM 733 CA PHE A 64 -0.443 -2.195 -9.225 1.00 10.00 C ATOM 734 C PHE A 64 -1.762 -1.574 -9.648 1.00 10.00 C ATOM 735 O PHE A 64 -1.786 -0.572 -10.365 1.00 10.00 O ATOM 736 CB PHE A 64 0.284 -1.261 -8.258 1.00 10.00 C ATOM 737 CG PHE A 64 1.312 -1.957 -7.417 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.620 -2.076 -7.854 1.00 10.00 C ATOM 739 CD2 PHE A 64 0.968 -2.490 -6.186 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.566 -2.716 -7.079 1.00 10.00 C ATOM 741 CE2 PHE A 64 1.909 -3.131 -5.408 1.00 10.00 C ATOM 742 CZ PHE A 64 3.209 -3.243 -5.855 1.00 10.00 C ATOM 0 H PHE A 64 1.042 -1.724 -10.621 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.644 -3.139 -8.719 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.768 -0.467 -8.826 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.448 -0.785 -7.605 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.903 -1.664 -8.811 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -0.048 -2.403 -5.831 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.584 -2.804 -7.430 1.00 10.00 H new ATOM 0 HE2 PHE A 64 1.629 -3.545 -4.451 1.00 10.00 H new ATOM 0 HZ PHE A 64 3.948 -3.743 -5.247 1.00 10.00 H new ATOM 752 N LEU A 65 -2.851 -2.173 -9.201 1.00 10.00 N ATOM 753 CA LEU A 65 -4.178 -1.687 -9.530 1.00 10.00 C ATOM 754 C LEU A 65 -4.871 -1.167 -8.280 1.00 10.00 C ATOM 755 O LEU A 65 -4.940 -1.855 -7.257 1.00 10.00 O ATOM 756 CB LEU A 65 -5.013 -2.794 -10.180 1.00 10.00 C ATOM 757 CG LEU A 65 -4.445 -3.363 -11.485 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.374 -4.426 -12.052 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.222 -2.254 -12.505 1.00 10.00 C ATOM 0 H LEU A 65 -2.841 -3.001 -8.606 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.079 -0.869 -10.243 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.124 -3.610 -9.465 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.012 -2.405 -10.377 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.483 -3.825 -11.265 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -4.955 -4.819 -12.978 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.483 -5.236 -11.331 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.351 -3.986 -12.254 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -3.819 -2.680 -13.424 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.170 -1.761 -12.720 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -3.517 -1.526 -12.103 1.00 10.00 H new ATOM 771 N PHE A 66 -5.366 0.056 -8.365 1.00 10.00 N ATOM 772 CA PHE A 66 -6.057 0.689 -7.258 1.00 10.00 C ATOM 773 C PHE A 66 -7.316 1.368 -7.769 1.00 10.00 C ATOM 774 O PHE A 66 -7.239 2.296 -8.578 1.00 10.00 O ATOM 775 CB PHE A 66 -5.140 1.706 -6.574 1.00 10.00 C ATOM 776 CG PHE A 66 -5.665 2.212 -5.261 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.739 1.374 -4.161 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.083 3.526 -5.126 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.220 1.836 -2.952 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.564 3.993 -3.919 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.634 3.146 -2.832 1.00 10.00 C ATOM 0 H PHE A 66 -5.300 0.636 -9.202 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.334 -0.069 -6.525 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.164 1.249 -6.412 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.989 2.552 -7.244 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.417 0.347 -4.250 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.032 4.192 -5.974 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.272 1.172 -2.102 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -6.885 5.020 -3.826 1.00 10.00 H new ATOM 0 HZ PHE A 66 -7.013 3.509 -1.888 1.00 10.00 H new ATOM 791 N GLU A 67 -8.468 0.883 -7.315 1.00 10.00 N ATOM 792 CA GLU A 67 -9.760 1.428 -7.722 1.00 10.00 C ATOM 793 C GLU A 67 -9.973 1.262 -9.226 1.00 10.00 C ATOM 794 O GLU A 67 -10.663 2.062 -9.861 1.00 10.00 O ATOM 795 CB GLU A 67 -9.869 2.907 -7.330 1.00 10.00 C ATOM 796 CG GLU A 67 -10.119 3.128 -5.848 1.00 10.00 C ATOM 797 CD GLU A 67 -11.531 2.765 -5.443 1.00 10.00 C ATOM 798 OE1 GLU A 67 -11.725 1.694 -4.836 1.00 10.00 O ATOM 799 OE2 GLU A 67 -12.457 3.548 -5.744 1.00 10.00 O ATOM 0 H GLU A 67 -8.533 0.105 -6.658 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.539 0.871 -7.202 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -8.949 3.418 -7.615 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.678 3.366 -7.899 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -9.413 2.532 -5.270 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -9.930 4.173 -5.602 1.00 10.00 H new ATOM 806 N GLY A 68 -9.375 0.219 -9.794 1.00 10.00 N ATOM 807 CA GLY A 68 -9.516 -0.040 -11.215 1.00 10.00 C ATOM 808 C GLY A 68 -8.375 0.532 -12.035 1.00 10.00 C ATOM 809 O GLY A 68 -7.932 -0.087 -13.003 1.00 10.00 O ATOM 0 H GLY A 68 -8.794 -0.453 -9.293 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.571 -1.116 -11.379 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.457 0.385 -11.565 1.00 10.00 H new ATOM 813 N GLN A 69 -7.892 1.704 -11.643 1.00 10.00 N ATOM 814 CA GLN A 69 -6.803 2.367 -12.355 1.00 10.00 C ATOM 815 C GLN A 69 -5.458 1.782 -11.943 1.00 10.00 C ATOM 816 O GLN A 69 -5.335 1.179 -10.877 1.00 10.00 O ATOM 817 CB GLN A 69 -6.807 3.869 -12.059 1.00 10.00 C ATOM 818 CG GLN A 69 -8.182 4.511 -12.123 1.00 10.00 C ATOM 819 CD GLN A 69 -8.205 5.894 -11.499 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.433 6.190 -10.585 1.00 10.00 O ATOM 821 NE2 GLN A 69 -9.088 6.748 -11.982 1.00 10.00 N ATOM 0 H GLN A 69 -8.238 2.218 -10.833 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.954 2.206 -13.422 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.387 4.034 -11.067 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -6.151 4.370 -12.770 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.500 4.580 -13.163 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.902 3.873 -11.611 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.710 6.465 -12.739 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -9.148 7.691 -11.598 1.00 10.00 H new ATOM 830 N ARG A 70 -4.453 1.959 -12.785 1.00 10.00 N ATOM 831 CA ARG A 70 -3.124 1.460 -12.477 1.00 10.00 C ATOM 832 C ARG A 70 -2.273 2.570 -11.872 1.00 10.00 C ATOM 833 O ARG A 70 -2.354 3.730 -12.286 1.00 10.00 O ATOM 834 CB ARG A 70 -2.450 0.861 -13.718 1.00 10.00 C ATOM 835 CG ARG A 70 -2.361 1.805 -14.906 1.00 10.00 C ATOM 836 CD ARG A 70 -2.037 1.054 -16.187 1.00 10.00 C ATOM 837 NE ARG A 70 -0.717 0.425 -16.138 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.430 -0.763 -16.673 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.369 -1.478 -17.281 1.00 10.00 N ATOM 840 NH2 ARG A 70 0.803 -1.244 -16.599 1.00 10.00 N ATOM 0 H ARG A 70 -4.531 2.441 -13.681 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.221 0.659 -11.744 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.444 0.540 -13.450 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -3.000 -0.031 -14.019 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.306 2.336 -15.023 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.594 2.557 -14.719 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.795 0.291 -16.361 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.079 1.743 -17.031 1.00 10.00 H new ATOM 0 HE ARG A 70 0.033 0.928 -15.664 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.322 -1.120 -17.343 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -1.137 -2.385 -17.686 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.533 -0.706 -16.133 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.021 -2.152 -17.008 1.00 10.00 H new ATOM 854 N ILE A 71 -1.477 2.206 -10.879 1.00 10.00 N ATOM 855 CA ILE A 71 -0.614 3.152 -10.184 1.00 10.00 C ATOM 856 C ILE A 71 0.586 3.545 -11.041 1.00 10.00 C ATOM 857 O ILE A 71 1.354 2.686 -11.490 1.00 10.00 O ATOM 858 CB ILE A 71 -0.117 2.559 -8.847 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.306 2.264 -7.924 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.871 3.497 -8.166 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.119 3.489 -7.566 1.00 10.00 C ATOM 0 H ILE A 71 -1.410 1.249 -10.532 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.207 4.044 -9.985 1.00 10.00 H new ATOM 0 HB ILE A 71 0.402 1.624 -9.059 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.957 1.536 -8.407 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.937 1.803 -7.008 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.205 3.055 -7.227 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.730 3.656 -8.818 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.386 4.452 -7.965 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.942 3.201 -6.911 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.483 4.211 -7.054 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.519 3.939 -8.475 1.00 10.00 H new ATOM 873 N ALA A 72 0.742 4.845 -11.259 1.00 10.00 N ATOM 874 CA ALA A 72 1.844 5.364 -12.052 1.00 10.00 C ATOM 875 C ALA A 72 3.097 5.507 -11.196 1.00 10.00 C ATOM 876 O ALA A 72 3.032 5.454 -9.968 1.00 10.00 O ATOM 877 CB ALA A 72 1.467 6.698 -12.675 1.00 10.00 C ATOM 0 H ALA A 72 0.114 5.561 -10.894 1.00 10.00 H new ATOM 0 HA ALA A 72 2.056 4.657 -12.854 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.303 7.073 -13.265 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.598 6.566 -13.319 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.229 7.413 -11.887 1.00 10.00 H new ATOM 883 N ASP A 73 4.231 5.711 -11.848 1.00 10.00 N ATOM 884 CA ASP A 73 5.509 5.843 -11.148 1.00 10.00 C ATOM 885 C ASP A 73 5.710 7.248 -10.589 1.00 10.00 C ATOM 886 O ASP A 73 6.706 7.520 -9.919 1.00 10.00 O ATOM 887 CB ASP A 73 6.666 5.488 -12.086 1.00 10.00 C ATOM 888 CG ASP A 73 6.873 3.992 -12.219 1.00 10.00 C ATOM 889 OD1 ASP A 73 5.906 3.282 -12.572 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.004 3.517 -11.977 1.00 10.00 O ATOM 0 H ASP A 73 4.297 5.790 -12.863 1.00 10.00 H new ATOM 0 HA ASP A 73 5.493 5.149 -10.308 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.473 5.913 -13.071 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.583 5.946 -11.715 1.00 10.00 H new ATOM 895 N ASN A 74 4.769 8.140 -10.862 1.00 10.00 N ATOM 896 CA ASN A 74 4.861 9.514 -10.379 1.00 10.00 C ATOM 897 C ASN A 74 3.726 9.819 -9.408 1.00 10.00 C ATOM 898 O ASN A 74 3.578 10.951 -8.945 1.00 10.00 O ATOM 899 CB ASN A 74 4.822 10.508 -11.547 1.00 10.00 C ATOM 900 CG ASN A 74 3.426 10.694 -12.119 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.662 9.738 -12.258 1.00 10.00 O ATOM 902 ND2 ASN A 74 3.081 11.929 -12.448 1.00 10.00 N ATOM 0 H ASN A 74 3.935 7.940 -11.414 1.00 10.00 H new ATOM 0 HA ASN A 74 5.813 9.621 -9.859 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.202 11.472 -11.210 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.489 10.160 -12.336 1.00 10.00 H new ATOM 0 HD21 ASN A 74 2.154 12.115 -12.831 1.00 10.00 H new ATOM 0 HD22 ASN A 74 3.742 12.695 -12.318 1.00 10.00 H new ATOM 909 N HIS A 75 2.935 8.801 -9.095 1.00 10.00 N ATOM 910 CA HIS A 75 1.804 8.964 -8.195 1.00 10.00 C ATOM 911 C HIS A 75 2.252 8.999 -6.741 1.00 10.00 C ATOM 912 O HIS A 75 3.290 8.433 -6.379 1.00 10.00 O ATOM 913 CB HIS A 75 0.787 7.839 -8.402 1.00 10.00 C ATOM 914 CG HIS A 75 -0.168 8.082 -9.532 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.874 7.053 -10.111 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.517 9.247 -10.130 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.631 7.611 -11.039 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.448 8.938 -11.088 1.00 10.00 N ATOM 0 H HIS A 75 3.057 7.853 -9.452 1.00 10.00 H new ATOM 0 HA HIS A 75 1.332 9.918 -8.428 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.323 6.908 -8.586 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.219 7.703 -7.482 1.00 10.00 H new ATOM 0 HD2 HIS A 75 -0.135 10.230 -9.897 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.311 7.067 -11.677 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -1.912 9.593 -11.717 1.00 10.00 H new ATOM 926 N THR A 76 1.471 9.675 -5.916 1.00 10.00 N ATOM 927 CA THR A 76 1.758 9.789 -4.499 1.00 10.00 C ATOM 928 C THR A 76 0.575 9.277 -3.679 1.00 10.00 C ATOM 929 O THR A 76 -0.559 9.300 -4.152 1.00 10.00 O ATOM 930 CB THR A 76 2.059 11.251 -4.112 1.00 10.00 C ATOM 931 OG1 THR A 76 1.106 12.134 -4.722 1.00 10.00 O ATOM 932 CG2 THR A 76 3.466 11.647 -4.535 1.00 10.00 C ATOM 0 H THR A 76 0.622 10.159 -6.210 1.00 10.00 H new ATOM 0 HA THR A 76 2.639 9.183 -4.284 1.00 10.00 H new ATOM 0 HB THR A 76 1.985 11.334 -3.028 1.00 10.00 H new ATOM 0 HG1 THR A 76 0.935 11.845 -5.643 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.654 12.682 -4.251 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.190 10.998 -4.042 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.564 11.544 -5.616 1.00 10.00 H new ATOM 940 N PRO A 77 0.818 8.808 -2.445 1.00 10.00 N ATOM 941 CA PRO A 77 -0.248 8.290 -1.572 1.00 10.00 C ATOM 942 C PRO A 77 -1.231 9.376 -1.136 1.00 10.00 C ATOM 943 O PRO A 77 -2.315 9.083 -0.628 1.00 10.00 O ATOM 944 CB PRO A 77 0.513 7.738 -0.362 1.00 10.00 C ATOM 945 CG PRO A 77 1.820 8.454 -0.364 1.00 10.00 C ATOM 946 CD PRO A 77 2.144 8.720 -1.807 1.00 10.00 C ATOM 0 HA PRO A 77 -0.860 7.546 -2.082 1.00 10.00 H new ATOM 0 HB2 PRO A 77 -0.034 7.919 0.563 1.00 10.00 H new ATOM 0 HB3 PRO A 77 0.654 6.660 -0.443 1.00 10.00 H new ATOM 0 HG2 PRO A 77 1.756 9.385 0.200 1.00 10.00 H new ATOM 0 HG3 PRO A 77 2.597 7.850 0.105 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.710 9.644 -1.928 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.745 7.919 -2.238 1.00 10.00 H new ATOM 954 N LYS A 78 -0.842 10.629 -1.339 1.00 10.00 N ATOM 955 CA LYS A 78 -1.679 11.764 -0.973 1.00 10.00 C ATOM 956 C LYS A 78 -2.840 11.910 -1.951 1.00 10.00 C ATOM 957 O LYS A 78 -3.925 12.362 -1.582 1.00 10.00 O ATOM 958 CB LYS A 78 -0.843 13.052 -0.940 1.00 10.00 C ATOM 959 CG LYS A 78 -1.655 14.325 -0.712 1.00 10.00 C ATOM 960 CD LYS A 78 -2.249 14.385 0.692 1.00 10.00 C ATOM 961 CE LYS A 78 -1.180 14.624 1.745 1.00 10.00 C ATOM 962 NZ LYS A 78 -1.764 14.969 3.068 1.00 10.00 N ATOM 0 H LYS A 78 0.052 10.885 -1.757 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.087 11.587 0.022 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.096 12.966 -0.151 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.302 13.144 -1.882 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -1.017 15.194 -0.873 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.458 14.378 -1.447 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -2.991 15.182 0.739 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -2.769 13.452 0.907 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.563 13.731 1.844 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.524 15.430 1.418 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.999 15.123 3.755 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.332 15.836 2.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -2.370 14.189 3.394 1.00 10.00 H new ATOM 976 N GLU A 79 -2.611 11.515 -3.191 1.00 10.00 N ATOM 977 CA GLU A 79 -3.635 11.602 -4.216 1.00 10.00 C ATOM 978 C GLU A 79 -4.306 10.246 -4.389 1.00 10.00 C ATOM 979 O GLU A 79 -3.882 9.263 -3.775 1.00 10.00 O ATOM 980 CB GLU A 79 -3.035 12.092 -5.536 1.00 10.00 C ATOM 981 CG GLU A 79 -2.082 11.107 -6.184 1.00 10.00 C ATOM 982 CD GLU A 79 -1.229 11.748 -7.256 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.793 12.388 -8.172 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.010 11.616 -7.185 1.00 10.00 O ATOM 0 H GLU A 79 -1.723 11.130 -3.513 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.389 12.326 -3.906 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.845 12.310 -6.232 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.507 13.029 -5.358 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.436 10.675 -5.420 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.653 10.287 -6.620 1.00 10.00 H new ATOM 991 N LEU A 80 -5.362 10.209 -5.206 1.00 10.00 N ATOM 992 CA LEU A 80 -6.127 8.984 -5.475 1.00 10.00 C ATOM 993 C LEU A 80 -6.986 8.592 -4.272 1.00 10.00 C ATOM 994 O LEU A 80 -8.167 8.282 -4.420 1.00 10.00 O ATOM 995 CB LEU A 80 -5.210 7.821 -5.879 1.00 10.00 C ATOM 996 CG LEU A 80 -4.423 8.037 -7.172 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.311 7.009 -7.296 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.346 7.967 -8.380 1.00 10.00 C ATOM 0 H LEU A 80 -5.713 11.028 -5.702 1.00 10.00 H new ATOM 0 HA LEU A 80 -6.788 9.198 -6.315 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.505 7.636 -5.069 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -5.816 6.921 -5.986 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.975 9.030 -7.138 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -2.761 7.178 -8.222 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.632 7.103 -6.449 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.741 6.007 -7.307 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.767 8.123 -9.290 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.823 6.988 -8.417 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.110 8.740 -8.299 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.390 8.607 -3.089 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.114 8.270 -1.884 1.00 10.00 C ATOM 1012 C GLY A 81 -6.639 6.977 -1.259 1.00 10.00 C ATOM 1013 O GLY A 81 -7.290 5.945 -1.395 1.00 10.00 O ATOM 0 H GLY A 81 -5.410 8.849 -2.943 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.005 9.079 -1.162 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.176 8.189 -2.114 1.00 10.00 H new ATOM 1017 N MET A 82 -5.501 7.032 -0.581 1.00 10.00 N ATOM 1018 CA MET A 82 -4.944 5.854 0.072 1.00 10.00 C ATOM 1019 C MET A 82 -5.007 6.008 1.585 1.00 10.00 C ATOM 1020 O MET A 82 -4.379 6.903 2.154 1.00 10.00 O ATOM 1021 CB MET A 82 -3.497 5.623 -0.370 1.00 10.00 C ATOM 1022 CG MET A 82 -3.375 5.143 -1.803 1.00 10.00 C ATOM 1023 SD MET A 82 -1.680 4.730 -2.255 1.00 10.00 S ATOM 1024 CE MET A 82 -1.932 4.049 -3.891 1.00 10.00 C ATOM 0 H MET A 82 -4.945 7.880 -0.468 1.00 10.00 H new ATOM 0 HA MET A 82 -5.539 4.989 -0.221 1.00 10.00 H new ATOM 0 HB2 MET A 82 -2.938 6.552 -0.257 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.035 4.890 0.292 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.008 4.267 -1.944 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.748 5.917 -2.474 1.00 10.00 H new ATOM 0 HE1 MET A 82 -0.973 3.744 -4.310 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.592 3.184 -3.827 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.385 4.804 -4.534 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.783 5.147 2.227 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.937 5.184 3.673 1.00 10.00 C ATOM 1036 C GLU A 83 -5.356 3.929 4.319 1.00 10.00 C ATOM 1037 O GLU A 83 -4.881 3.024 3.634 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.414 5.313 4.043 1.00 10.00 C ATOM 1039 CG GLU A 83 -8.001 6.674 3.724 1.00 10.00 C ATOM 1040 CD GLU A 83 -7.459 7.762 4.624 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -7.939 7.885 5.774 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.554 8.504 4.192 1.00 10.00 O ATOM 0 H GLU A 83 -6.318 4.411 1.766 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.392 6.051 4.046 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.981 4.548 3.513 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.532 5.116 5.109 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.786 6.925 2.685 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -9.086 6.631 3.823 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.400 3.882 5.643 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.894 2.740 6.393 1.00 10.00 C ATOM 1051 C GLU A 84 -5.798 1.528 6.176 1.00 10.00 C ATOM 1052 O GLU A 84 -7.020 1.667 6.131 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.819 3.094 7.883 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.442 1.931 8.793 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.047 1.398 8.533 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.136 2.206 8.258 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -2.855 0.166 8.615 1.00 10.00 O ATOM 0 H GLU A 84 -5.784 4.627 6.224 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.894 2.491 6.039 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.091 3.894 8.017 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.785 3.487 8.199 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.513 2.253 9.832 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.163 1.125 8.659 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.184 0.353 6.018 1.00 10.00 N ATOM 1065 CA GLU A 85 -5.911 -0.903 5.809 1.00 10.00 C ATOM 1066 C GLU A 85 -6.565 -0.961 4.429 1.00 10.00 C ATOM 1067 O GLU A 85 -7.383 -1.842 4.167 1.00 10.00 O ATOM 1068 CB GLU A 85 -6.974 -1.115 6.899 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.427 -1.713 8.184 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.128 -3.192 8.052 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -4.960 -3.544 7.791 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -7.060 -4.006 8.210 1.00 10.00 O ATOM 0 H GLU A 85 -4.170 0.245 6.031 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.176 -1.706 5.870 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.443 -0.158 7.126 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.755 -1.768 6.509 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.517 -1.185 8.468 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.148 -1.561 8.988 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.205 -0.035 3.547 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.773 -0.017 2.203 1.00 10.00 C ATOM 1081 C ASP A 86 -6.279 -1.214 1.405 1.00 10.00 C ATOM 1082 O ASP A 86 -5.152 -1.677 1.600 1.00 10.00 O ATOM 1083 CB ASP A 86 -6.430 1.279 1.469 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.666 2.071 1.100 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -8.688 1.450 0.739 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.628 3.316 1.177 1.00 10.00 O ATOM 0 H ASP A 86 -5.530 0.706 3.735 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.857 -0.073 2.300 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.783 1.891 2.098 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.867 1.045 0.565 1.00 10.00 H new ATOM 1091 N VAL A 87 -7.121 -1.711 0.513 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.776 -2.870 -0.295 1.00 10.00 C ATOM 1093 C VAL A 87 -6.280 -2.462 -1.679 1.00 10.00 C ATOM 1094 O VAL A 87 -6.944 -1.716 -2.402 1.00 10.00 O ATOM 1095 CB VAL A 87 -7.980 -3.827 -0.449 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.622 -5.022 -1.321 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.467 -4.293 0.914 1.00 10.00 C ATOM 0 H VAL A 87 -8.049 -1.330 0.330 1.00 10.00 H new ATOM 0 HA VAL A 87 -5.973 -3.387 0.229 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.785 -3.279 -0.940 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.488 -5.678 -1.412 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.325 -4.674 -2.310 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -6.797 -5.570 -0.866 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.315 -4.966 0.787 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.662 -4.817 1.428 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.774 -3.430 1.505 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.104 -2.956 -2.032 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.506 -2.678 -3.327 1.00 10.00 C ATOM 1109 C ILE A 88 -4.149 -3.999 -4.008 1.00 10.00 C ATOM 1110 O ILE A 88 -3.747 -4.958 -3.344 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.260 -1.765 -3.194 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.701 -1.404 -4.574 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.191 -2.426 -2.337 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.690 -0.277 -4.543 1.00 10.00 C ATOM 0 H ILE A 88 -4.540 -3.558 -1.432 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.228 -2.139 -3.940 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.569 -0.844 -2.699 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.235 -2.287 -5.010 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.526 -1.123 -5.229 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.327 -1.766 -2.259 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.591 -2.620 -1.342 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.888 -3.367 -2.795 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.338 -0.076 -5.555 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.157 0.620 -4.137 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.846 -0.562 -3.915 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.320 -4.062 -5.318 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.040 -5.284 -6.062 1.00 10.00 C ATOM 1128 C GLU A 89 -2.781 -5.155 -6.911 1.00 10.00 C ATOM 1129 O GLU A 89 -2.362 -4.052 -7.264 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.222 -5.634 -6.963 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.508 -5.917 -6.206 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.711 -5.979 -7.122 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.001 -7.069 -7.660 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.370 -4.936 -7.313 1.00 10.00 O ATOM 0 H GLU A 89 -4.651 -3.284 -5.889 1.00 10.00 H new ATOM 0 HA GLU A 89 -3.880 -6.078 -5.333 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.394 -4.811 -7.657 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -4.964 -6.508 -7.562 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.412 -6.862 -5.671 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.664 -5.141 -5.456 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.191 -6.295 -7.236 1.00 10.00 N ATOM 1142 CA VAL A 90 -0.995 -6.339 -8.060 1.00 10.00 C ATOM 1143 C VAL A 90 -1.013 -7.605 -8.915 1.00 10.00 C ATOM 1144 O VAL A 90 -1.184 -8.712 -8.404 1.00 10.00 O ATOM 1145 CB VAL A 90 0.299 -6.270 -7.210 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.372 -7.418 -6.212 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.532 -6.251 -8.103 1.00 10.00 C ATOM 0 H VAL A 90 -2.526 -7.211 -6.937 1.00 10.00 H new ATOM 0 HA VAL A 90 -0.995 -5.462 -8.707 1.00 10.00 H new ATOM 0 HB VAL A 90 0.272 -5.340 -6.642 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.292 -7.339 -5.633 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.485 -7.371 -5.540 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.361 -8.367 -6.748 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.428 -6.202 -7.485 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.557 -7.157 -8.708 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.494 -5.380 -8.757 1.00 10.00 H new ATOM 1157 N TYR A 91 -0.882 -7.435 -10.221 1.00 10.00 N ATOM 1158 CA TYR A 91 -0.897 -8.567 -11.140 1.00 10.00 C ATOM 1159 C TYR A 91 0.238 -8.447 -12.148 1.00 10.00 C ATOM 1160 O TYR A 91 0.879 -7.403 -12.243 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.244 -8.645 -11.869 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.428 -8.797 -10.940 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -3.716 -10.019 -10.349 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.250 -7.717 -10.647 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -4.789 -10.162 -9.493 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.327 -7.851 -9.792 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.591 -9.076 -9.217 1.00 10.00 C ATOM 1168 OH TYR A 91 -6.657 -9.218 -8.358 1.00 10.00 O ATOM 0 H TYR A 91 -0.764 -6.527 -10.670 1.00 10.00 H new ATOM 0 HA TYR A 91 -0.758 -9.481 -10.563 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.376 -7.744 -12.468 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.225 -9.487 -12.561 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.090 -10.873 -10.563 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.044 -6.756 -11.095 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -4.999 -11.120 -9.042 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -5.958 -7.002 -9.575 1.00 10.00 H new ATOM 0 HH TYR A 91 -6.942 -8.335 -8.042 1.00 10.00 H new ATOM 1178 N GLN A 92 0.479 -9.507 -12.904 1.00 10.00 N ATOM 1179 CA GLN A 92 1.546 -9.502 -13.893 1.00 10.00 C ATOM 1180 C GLN A 92 1.095 -8.819 -15.178 1.00 10.00 C ATOM 1181 O GLN A 92 -0.007 -9.065 -15.671 1.00 10.00 O ATOM 1182 CB GLN A 92 2.005 -10.929 -14.200 1.00 10.00 C ATOM 1183 CG GLN A 92 3.364 -10.993 -14.883 1.00 10.00 C ATOM 1184 CD GLN A 92 3.660 -12.354 -15.485 1.00 10.00 C ATOM 1185 OE1 GLN A 92 4.187 -13.242 -14.815 1.00 10.00 O ATOM 1186 NE2 GLN A 92 3.328 -12.523 -16.756 1.00 10.00 N ATOM 0 H GLN A 92 -0.048 -10.379 -12.852 1.00 10.00 H new ATOM 0 HA GLN A 92 2.383 -8.942 -13.475 1.00 10.00 H new ATOM 0 HB2 GLN A 92 2.046 -11.497 -13.271 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.264 -11.412 -14.836 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.406 -10.238 -15.668 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.140 -10.745 -14.159 1.00 10.00 H new ATOM 0 HE21 GLN A 92 2.893 -11.760 -17.275 1.00 10.00 H new ATOM 0 HE22 GLN A 92 3.507 -13.416 -17.216 1.00 10.00 H new ATOM 1195 N GLU A 93 1.951 -7.954 -15.708 1.00 10.00 N ATOM 1196 CA GLU A 93 1.670 -7.234 -16.941 1.00 10.00 C ATOM 1197 C GLU A 93 1.683 -8.186 -18.132 1.00 10.00 C ATOM 1198 O GLU A 93 2.032 -9.364 -18.001 1.00 10.00 O ATOM 1199 CB GLU A 93 2.709 -6.130 -17.162 1.00 10.00 C ATOM 1200 CG GLU A 93 2.144 -4.718 -17.098 1.00 10.00 C ATOM 1201 CD GLU A 93 0.992 -4.497 -18.060 1.00 10.00 C ATOM 1202 OE1 GLU A 93 1.027 -5.043 -19.180 1.00 10.00 O ATOM 1203 OE2 GLU A 93 0.038 -3.782 -17.688 1.00 10.00 O ATOM 0 H GLU A 93 2.857 -7.733 -15.295 1.00 10.00 H new ATOM 0 HA GLU A 93 0.680 -6.786 -16.853 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.493 -6.230 -16.412 1.00 10.00 H new ATOM 0 HB3 GLU A 93 3.178 -6.278 -18.135 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.806 -4.513 -16.082 1.00 10.00 H new ATOM 0 HG3 GLU A 93 2.938 -4.004 -17.320 1.00 10.00 H new ATOM 1210 N GLN A 94 1.317 -7.667 -19.292 1.00 10.00 N ATOM 1211 CA GLN A 94 1.292 -8.457 -20.511 1.00 10.00 C ATOM 1212 C GLN A 94 2.704 -8.610 -21.059 1.00 10.00 C ATOM 1213 O GLN A 94 3.045 -9.623 -21.666 1.00 10.00 O ATOM 1214 CB GLN A 94 0.390 -7.794 -21.555 1.00 10.00 C ATOM 1215 CG GLN A 94 0.309 -8.564 -22.863 1.00 10.00 C ATOM 1216 CD GLN A 94 -0.386 -7.790 -23.963 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -0.338 -6.560 -24.009 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.038 -8.507 -24.859 1.00 10.00 N ATOM 0 H GLN A 94 1.031 -6.696 -19.415 1.00 10.00 H new ATOM 0 HA GLN A 94 0.891 -9.445 -20.282 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.613 -7.688 -21.142 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.759 -6.789 -21.757 1.00 10.00 H new ATOM 0 HG2 GLN A 94 1.316 -8.823 -23.189 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.222 -9.501 -22.694 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.053 -9.524 -24.785 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -1.526 -8.044 -25.625 1.00 10.00 H new ATOM 1227 N THR A 95 3.522 -7.596 -20.822 1.00 10.00 N ATOM 1228 CA THR A 95 4.898 -7.596 -21.287 1.00 10.00 C ATOM 1229 C THR A 95 5.756 -8.569 -20.482 1.00 10.00 C ATOM 1230 O THR A 95 6.684 -9.183 -21.010 1.00 10.00 O ATOM 1231 CB THR A 95 5.501 -6.184 -21.178 1.00 10.00 C ATOM 1232 OG1 THR A 95 5.197 -5.623 -19.893 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.960 -5.278 -22.273 1.00 10.00 C ATOM 0 H THR A 95 3.253 -6.758 -20.307 1.00 10.00 H new ATOM 0 HA THR A 95 4.891 -7.914 -22.330 1.00 10.00 H new ATOM 0 HB THR A 95 6.582 -6.262 -21.296 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.584 -4.725 -19.828 1.00 10.00 H new ATOM 0 HG21 THR A 95 5.401 -4.286 -22.175 1.00 10.00 H new ATOM 0 HG22 THR A 95 5.215 -5.694 -23.248 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.876 -5.204 -22.182 1.00 10.00 H new ATOM 1241 N GLY A 96 5.432 -8.710 -19.204 1.00 10.00 N ATOM 1242 CA GLY A 96 6.190 -9.590 -18.337 1.00 10.00 C ATOM 1243 C GLY A 96 7.379 -8.868 -17.738 1.00 10.00 C ATOM 1244 O GLY A 96 8.215 -9.468 -17.061 1.00 10.00 O ATOM 0 H GLY A 96 4.655 -8.229 -18.751 1.00 10.00 H new ATOM 0 HA2 GLY A 96 5.547 -9.963 -17.540 1.00 10.00 H new ATOM 0 HA3 GLY A 96 6.533 -10.457 -18.902 1.00 10.00 H new ATOM 1248 N GLY A 97 7.443 -7.571 -17.992 1.00 10.00 N ATOM 1249 CA GLY A 97 8.520 -6.754 -17.492 1.00 10.00 C ATOM 1250 C GLY A 97 8.660 -5.497 -18.311 1.00 10.00 C ATOM 1251 O GLY A 97 9.788 -4.985 -18.440 1.00 10.00 O ATOM 0 H GLY A 97 6.753 -7.065 -18.547 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.333 -6.496 -16.450 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.453 -7.317 -17.519 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -5.221 -15.610 5.975 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.453 -15.557 7.242 1.00 10.00 C ATOM 1258 C ASN B 357 -2.948 -15.539 6.970 1.00 10.00 C ATOM 1259 O ASN B 357 -2.159 -16.127 7.707 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.810 -16.752 8.140 1.00 10.00 C ATOM 1261 CG ASN B 357 -4.287 -16.595 9.560 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -4.135 -15.479 10.062 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -4.005 -17.711 10.210 1.00 10.00 N ATOM 0 HA ASN B 357 -4.722 -14.635 7.757 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -5.893 -16.870 8.167 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.400 -17.664 7.705 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -3.647 -17.669 11.164 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -4.145 -18.614 9.757 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.536 -14.869 5.903 1.00 10.00 N ATOM 1271 CA ASN B 358 -1.120 -14.780 5.584 1.00 10.00 C ATOM 1272 C ASN B 358 -0.722 -13.323 5.576 1.00 10.00 C ATOM 1273 O ASN B 358 -1.284 -12.533 4.829 1.00 10.00 O ATOM 1274 CB ASN B 358 -0.863 -15.405 4.206 1.00 10.00 C ATOM 1275 CG ASN B 358 0.466 -14.997 3.601 1.00 10.00 C ATOM 1276 OD1 ASN B 358 0.569 -13.961 2.946 1.00 10.00 O ATOM 1277 ND2 ASN B 358 1.484 -15.815 3.791 1.00 10.00 N ATOM 0 H ASN B 358 -3.154 -14.385 5.251 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.531 -15.319 6.326 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.896 -16.491 4.295 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -1.667 -15.117 3.528 1.00 10.00 H new ATOM 0 HD21 ASN B 358 2.395 -15.597 3.388 1.00 10.00 H new ATOM 0 HD22 ASN B 358 1.359 -16.665 4.341 1.00 10.00 H new ATOM 1284 N ARG B 359 0.232 -12.959 6.416 1.00 10.00 N ATOM 1285 CA ARG B 359 0.681 -11.579 6.466 1.00 10.00 C ATOM 1286 C ARG B 359 2.194 -11.432 6.352 1.00 10.00 C ATOM 1287 O ARG B 359 2.962 -12.102 7.052 1.00 10.00 O ATOM 1288 CB ARG B 359 0.161 -10.871 7.722 1.00 10.00 C ATOM 1289 CG ARG B 359 0.592 -11.500 9.036 1.00 10.00 C ATOM 1290 CD ARG B 359 0.091 -10.685 10.217 1.00 10.00 C ATOM 1291 NE ARG B 359 0.654 -11.145 11.486 1.00 10.00 N ATOM 1292 CZ ARG B 359 1.085 -10.335 12.450 1.00 10.00 C ATOM 1293 NH1 ARG B 359 1.044 -9.023 12.288 1.00 10.00 N ATOM 1294 NH2 ARG B 359 1.562 -10.843 13.582 1.00 10.00 N ATOM 0 H ARG B 359 0.704 -13.590 7.064 1.00 10.00 H new ATOM 0 HA ARG B 359 0.255 -11.094 5.587 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.499 -9.835 7.704 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.928 -10.851 7.686 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.206 -12.517 9.101 1.00 10.00 H new ATOM 0 HG3 ARG B 359 1.679 -11.569 9.072 1.00 10.00 H new ATOM 0 HD2 ARG B 359 0.347 -9.636 10.067 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -0.996 -10.744 10.262 1.00 10.00 H new ATOM 0 HE ARG B 359 0.721 -12.151 11.642 1.00 10.00 H new ATOM 0 HH11 ARG B 359 0.681 -8.627 11.421 1.00 10.00 H new ATOM 0 HH12 ARG B 359 1.376 -8.407 13.030 1.00 10.00 H new ATOM 0 HH21 ARG B 359 1.598 -11.854 13.712 1.00 10.00 H new ATOM 0 HH22 ARG B 359 1.892 -10.222 14.321 1.00 10.00 H new ATOM 1308 N ASP B 360 2.614 -10.568 5.451 1.00 10.00 N ATOM 1309 CA ASP B 360 4.026 -10.256 5.271 1.00 10.00 C ATOM 1310 C ASP B 360 4.201 -8.758 5.463 1.00 10.00 C ATOM 1311 O ASP B 360 3.483 -7.986 4.835 1.00 10.00 O ATOM 1312 CB ASP B 360 4.538 -10.679 3.891 1.00 10.00 C ATOM 1313 CG ASP B 360 6.045 -10.542 3.794 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.535 -9.823 2.900 1.00 10.00 O ATOM 1315 OD2 ASP B 360 6.747 -11.149 4.632 1.00 10.00 O ATOM 0 H ASP B 360 1.992 -10.061 4.822 1.00 10.00 H new ATOM 0 HA ASP B 360 4.610 -10.813 6.004 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.252 -11.713 3.696 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.065 -10.067 3.123 1.00 10.00 H new ATOM 1320 N PRO B 361 5.159 -8.295 6.286 1.00 10.00 N ATOM 1321 CA PRO B 361 5.331 -6.872 6.516 1.00 10.00 C ATOM 1322 C PRO B 361 6.587 -6.291 5.865 1.00 10.00 C ATOM 1323 O PRO B 361 7.704 -6.782 6.040 1.00 10.00 O ATOM 1324 CB PRO B 361 5.478 -6.862 8.040 1.00 10.00 C ATOM 1325 CG PRO B 361 6.227 -8.129 8.354 1.00 10.00 C ATOM 1326 CD PRO B 361 6.024 -9.073 7.179 1.00 10.00 C ATOM 0 HA PRO B 361 4.523 -6.271 6.100 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.025 -5.983 8.380 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.506 -6.843 8.533 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.287 -7.923 8.503 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.856 -8.577 9.276 1.00 10.00 H new ATOM 0 HD2 PRO B 361 6.968 -9.334 6.702 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.553 -10.007 7.486 1.00 10.00 H new ATOM 1334 N ILE B 362 6.367 -5.229 5.100 1.00 10.00 N ATOM 1335 CA ILE B 362 7.427 -4.532 4.391 1.00 10.00 C ATOM 1336 C ILE B 362 7.506 -3.089 4.865 1.00 10.00 C ATOM 1337 O ILE B 362 6.483 -2.417 5.016 1.00 10.00 O ATOM 1338 CB ILE B 362 7.215 -4.545 2.862 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.642 -5.894 2.400 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.526 -4.244 2.140 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.311 -5.936 0.922 1.00 10.00 C ATOM 0 H ILE B 362 5.441 -4.826 4.955 1.00 10.00 H new ATOM 0 HA ILE B 362 8.357 -5.058 4.609 1.00 10.00 H new ATOM 0 HB ILE B 362 6.494 -3.767 2.611 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.361 -6.682 2.626 1.00 10.00 H new ATOM 0 HG13 ILE B 362 5.740 -6.112 2.972 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.359 -4.257 1.063 1.00 10.00 H new ATOM 0 HG22 ILE B 362 8.889 -3.261 2.439 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.267 -4.999 2.402 1.00 10.00 H new ATOM 0 HD11 ILE B 362 5.911 -6.917 0.666 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.569 -5.171 0.693 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.214 -5.750 0.341 1.00 10.00 H new ATOM 1353 N VAL B 363 8.715 -2.625 5.109 1.00 10.00 N ATOM 1354 CA VAL B 363 8.937 -1.271 5.576 1.00 10.00 C ATOM 1355 C VAL B 363 9.691 -0.497 4.509 1.00 10.00 C ATOM 1356 O VAL B 363 10.652 -0.998 3.924 1.00 10.00 O ATOM 1357 CB VAL B 363 9.719 -1.233 6.900 1.00 10.00 C ATOM 1358 CG1 VAL B 363 9.752 0.179 7.467 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.122 -2.204 7.907 1.00 10.00 C ATOM 0 H VAL B 363 9.567 -3.172 4.990 1.00 10.00 H new ATOM 0 HA VAL B 363 7.965 -0.815 5.763 1.00 10.00 H new ATOM 0 HB VAL B 363 10.745 -1.542 6.697 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.310 0.182 8.403 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.236 0.846 6.754 1.00 10.00 H new ATOM 0 HG13 VAL B 363 8.734 0.521 7.651 1.00 10.00 H new ATOM 0 HG21 VAL B 363 9.691 -2.160 8.836 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.085 -1.932 8.104 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.162 -3.216 7.504 1.00 10.00 H new ATOM 1369 N ILE B 364 9.232 0.712 4.268 1.00 10.00 N ATOM 1370 CA ILE B 364 9.778 1.579 3.241 1.00 10.00 C ATOM 1371 C ILE B 364 10.448 2.807 3.845 1.00 10.00 C ATOM 1372 O ILE B 364 10.013 3.342 4.869 1.00 10.00 O ATOM 1373 CB ILE B 364 8.701 2.003 2.214 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.359 2.324 0.870 1.00 10.00 C ATOM 1375 CG2 ILE B 364 7.890 3.197 2.709 1.00 10.00 C ATOM 1376 CD1 ILE B 364 9.930 1.109 0.164 1.00 10.00 C ATOM 0 H ILE B 364 8.458 1.128 4.786 1.00 10.00 H new ATOM 0 HA ILE B 364 10.536 1.001 2.713 1.00 10.00 H new ATOM 0 HB ILE B 364 8.011 1.169 2.086 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.624 2.799 0.220 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.157 3.048 1.030 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.144 3.465 1.961 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.391 2.936 3.642 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.555 4.044 2.878 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.379 1.415 -0.781 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.689 0.646 0.794 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.132 0.392 -0.029 1.00 10.00 H new HETATM 1388 N SEP B 365 11.523 3.229 3.204 1.00 10.00 N HETATM 1389 CA SEP B 365 12.316 4.349 3.658 1.00 10.00 C HETATM 1390 CB SEP B 365 13.803 3.994 3.602 1.00 10.00 C HETATM 1391 OG SEP B 365 14.009 2.717 3.015 1.00 10.00 O HETATM 1392 C SEP B 365 12.036 5.547 2.767 1.00 10.00 C HETATM 1393 O SEP B 365 11.906 5.419 1.550 1.00 10.00 O HETATM 1394 P SEP B 365 14.701 2.602 1.579 1.00 10.00 P HETATM 1395 O1P SEP B 365 15.517 1.388 1.409 1.00 10.00 O HETATM 1396 O2P SEP B 365 15.366 3.836 1.119 1.00 10.00 O HETATM 1397 O3P SEP B 365 13.484 2.405 0.566 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.338 4.751 3.028 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.219 4.005 4.609 1.00 10.00 H new HETATM 0 HA SEP B 365 12.053 4.589 4.688 1.00 10.00 H new HETATM 0 H SEP B 365 11.981 2.367 2.908 1.00 10.00 H new ATOM 1402 N ASP B 366 11.895 6.700 3.403 1.00 10.00 N ATOM 1403 CA ASP B 366 11.537 7.924 2.714 1.00 10.00 C ATOM 1404 C ASP B 366 12.680 8.927 2.712 1.00 10.00 C ATOM 1405 O ASP B 366 13.306 9.198 3.741 1.00 10.00 O ATOM 1406 CB ASP B 366 10.314 8.516 3.419 1.00 10.00 C ATOM 1407 CG ASP B 366 10.054 9.974 3.100 1.00 10.00 C ATOM 1408 OD1 ASP B 366 10.403 10.841 3.936 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.460 10.252 2.044 1.00 10.00 O ATOM 0 H ASP B 366 12.026 6.810 4.409 1.00 10.00 H new ATOM 0 HA ASP B 366 11.314 7.699 1.671 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.434 7.934 3.145 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.443 8.410 4.496 1.00 10.00 H new HETATM 1414 N SEP B 367 12.956 9.432 1.516 1.00 10.00 N HETATM 1415 CA SEP B 367 14.011 10.399 1.285 1.00 10.00 C HETATM 1416 CB SEP B 367 14.236 10.556 -0.220 1.00 10.00 C HETATM 1417 OG SEP B 367 15.158 9.593 -0.717 1.00 10.00 O HETATM 1418 C SEP B 367 13.673 11.756 1.890 1.00 10.00 C HETATM 1419 O SEP B 367 12.618 12.326 1.602 1.00 10.00 O HETATM 1420 P SEP B 367 14.719 8.076 -0.988 1.00 10.00 P HETATM 1421 O1P SEP B 367 15.697 7.321 -1.795 1.00 10.00 O HETATM 1422 O2P SEP B 367 14.261 7.344 0.205 1.00 10.00 O HETATM 1423 O3P SEP B 367 13.429 8.177 -1.927 1.00 10.00 O HETATM 0 HB3 SEP B 367 13.285 10.453 -0.743 1.00 10.00 H new HETATM 0 HB2 SEP B 367 14.608 11.559 -0.430 1.00 10.00 H new HETATM 0 HA SEP B 367 14.917 10.031 1.767 1.00 10.00 H new HETATM 0 H SEP B 367 12.496 8.980 0.725 1.00 10.00 H new ATOM 1428 N PRO B 368 14.559 12.283 2.752 1.00 10.00 N ATOM 1429 CA PRO B 368 14.370 13.593 3.373 1.00 10.00 C ATOM 1430 C PRO B 368 14.469 14.707 2.337 1.00 10.00 C ATOM 1431 O PRO B 368 13.475 15.435 2.139 1.00 10.00 O ATOM 1432 CB PRO B 368 15.525 13.699 4.381 1.00 10.00 C ATOM 1433 CG PRO B 368 16.088 12.325 4.500 1.00 10.00 C ATOM 1434 CD PRO B 368 15.804 11.640 3.197 1.00 10.00 C ATOM 0 HA PRO B 368 13.389 13.693 3.838 1.00 10.00 H new ATOM 0 HB2 PRO B 368 16.282 14.403 4.036 1.00 10.00 H new ATOM 0 HB3 PRO B 368 15.170 14.061 5.346 1.00 10.00 H new ATOM 0 HG2 PRO B 368 17.160 12.359 4.696 1.00 10.00 H new ATOM 0 HG3 PRO B 368 15.630 11.787 5.330 1.00 10.00 H new ATOM 0 HD2 PRO B 368 16.612 11.785 2.480 1.00 10.00 H new ATOM 0 HD3 PRO B 368 15.680 10.565 3.325 1.00 10.00 H new TER 1442 PRO B 368