USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 882 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 105 SER OG : rot 180:sc= -1.27 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= -0.0166 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -1.1 X(o=-4.2,f=-4.2) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -3.11! C(o=-4.2!,f=-4.9!) USER MOD Set 3.1: A 41 THR OG1 : rot -92:sc= 1.12 USER MOD Set 3.2: A 43 SER OG : rot 64:sc= 1.13 USER MOD Set 4.1: A 32 LYS NZ :NH3+ -163:sc= 0.0198 (180deg=0) USER MOD Set 4.2: A 115 TYR OH : rot -15:sc= -1.44 USER MOD Set 5.1: A 12 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 109 LYS NZ :NH3+ 152:sc= -1.62! (180deg=-3.31!) USER MOD Single : A 3 THR OG1 : rot 30:sc= 0.0309 USER MOD Single : A 4 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.014) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 125:sc= 0.981 USER MOD Single : A 14 ASN : amide:sc= -0.204 K(o=-0.2,f=0.47) USER MOD Single : A 17 HIS : no HE2:sc= -0.098 K(o=-0.098,f=-1.7) USER MOD Single : A 18 SER OG : rot -29:sc= 0.331 USER MOD Single : A 20 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.2) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -9:sc= 0.575 USER MOD Single : A 36 ASN : amide:sc= -3.26! C(o=-3.3!,f=-4.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.0928 (180deg=-0.507) USER MOD Single : A 49 CYS SG : rot 115:sc= 0.0249 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.189 USER MOD Single : A 54 THR OG1 : rot 46:sc= -0.786! USER MOD Single : A 55 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= -0.415 K(o=-0.42,f=-1.6) USER MOD Single : A 59 ASN : amide:sc= 0.491 K(o=0.49,f=-4.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.09! C(o=-6.1!,f=-8.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.34! C(o=-3.3!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 127:sc= -1.38! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -22:sc= -0.407 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.3!) USER MOD Single : A 111 ASN : amide:sc= -3.44! C(o=-3.4!,f=-9.7!) USER MOD Single : A 118 THR OG1 : rot 53:sc= 0.681 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -5.439 -2.185 15.446 1.00 0.00 N ATOM 32 CA THR A 3 -5.745 -3.567 15.776 1.00 0.00 C ATOM 33 C THR A 3 -5.716 -4.434 14.516 1.00 0.00 C ATOM 34 O THR A 3 -5.173 -5.537 14.529 1.00 0.00 O ATOM 35 CB THR A 3 -7.091 -3.593 16.501 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.794 -3.094 17.803 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.593 -5.016 16.753 1.00 0.00 C ATOM 0 HA THR A 3 -4.993 -3.991 16.442 1.00 0.00 H new ATOM 0 HB THR A 3 -7.829 -3.046 15.915 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.039 -2.472 17.750 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.552 -4.977 17.270 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.715 -5.533 15.801 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.871 -5.553 17.368 1.00 0.00 H new ATOM 45 N ASN A 4 -6.309 -3.902 13.456 1.00 0.00 N ATOM 46 CA ASN A 4 -6.359 -4.614 12.191 1.00 0.00 C ATOM 47 C ASN A 4 -5.006 -4.489 11.487 1.00 0.00 C ATOM 48 O ASN A 4 -4.455 -5.481 11.012 1.00 0.00 O ATOM 49 CB ASN A 4 -7.428 -4.024 11.269 1.00 0.00 C ATOM 50 CG ASN A 4 -8.593 -3.449 12.077 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.208 -2.461 11.712 1.00 0.00 O ATOM 52 ND2 ASN A 4 -8.860 -4.121 13.194 1.00 0.00 N ATOM 0 H ASN A 4 -6.759 -2.986 13.448 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.598 -5.657 12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.988 -3.241 10.651 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.796 -4.795 10.593 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.619 -3.816 13.803 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.306 -4.941 13.441 1.00 0.00 H new ATOM 59 N ALA A 5 -4.510 -3.261 11.441 1.00 0.00 N ATOM 60 CA ALA A 5 -3.232 -2.994 10.803 1.00 0.00 C ATOM 61 C ALA A 5 -2.188 -3.980 11.330 1.00 0.00 C ATOM 62 O ALA A 5 -1.478 -4.613 10.550 1.00 0.00 O ATOM 63 CB ALA A 5 -2.835 -1.537 11.048 1.00 0.00 C ATOM 0 H ALA A 5 -4.970 -2.440 11.835 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.303 -3.136 9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.876 -1.336 10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.595 -0.877 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.750 -1.358 12.120 1.00 0.00 H new ATOM 69 N GLU A 6 -2.126 -4.079 12.649 1.00 0.00 N ATOM 70 CA GLU A 6 -1.180 -4.977 13.289 1.00 0.00 C ATOM 71 C GLU A 6 -1.433 -6.419 12.845 1.00 0.00 C ATOM 72 O GLU A 6 -0.495 -7.147 12.526 1.00 0.00 O ATOM 73 CB GLU A 6 -1.251 -4.852 14.813 1.00 0.00 C ATOM 74 CG GLU A 6 -0.573 -6.044 15.492 1.00 0.00 C ATOM 75 CD GLU A 6 0.865 -6.212 14.998 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.683 -5.324 15.321 1.00 0.00 O ATOM 77 OE2 GLU A 6 1.114 -7.225 14.310 1.00 0.00 O ATOM 0 H GLU A 6 -2.716 -3.552 13.293 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.174 -4.694 12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.769 -3.927 15.129 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.293 -4.793 15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.576 -5.901 16.573 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.139 -6.953 15.289 1.00 0.00 H new ATOM 84 N LYS A 7 -2.706 -6.788 12.838 1.00 0.00 N ATOM 85 CA LYS A 7 -3.094 -8.130 12.438 1.00 0.00 C ATOM 86 C LYS A 7 -2.577 -8.405 11.024 1.00 0.00 C ATOM 87 O LYS A 7 -1.982 -9.451 10.770 1.00 0.00 O ATOM 88 CB LYS A 7 -4.605 -8.318 12.588 1.00 0.00 C ATOM 89 CG LYS A 7 -5.006 -8.380 14.063 1.00 0.00 C ATOM 90 CD LYS A 7 -5.016 -9.825 14.568 1.00 0.00 C ATOM 91 CE LYS A 7 -6.327 -10.143 15.290 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.056 -10.712 16.629 1.00 0.00 N ATOM 0 H LYS A 7 -3.482 -6.181 13.103 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.638 -8.871 13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.128 -7.496 12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.913 -9.235 12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.311 -7.788 14.658 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.994 -7.938 14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.883 -10.508 13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.176 -9.984 15.244 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.924 -9.237 15.388 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.912 -10.849 14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.956 -10.922 17.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.505 -11.588 16.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.517 -10.026 17.195 1.00 0.00 H new ATOM 106 N LEU A 8 -2.824 -7.448 10.142 1.00 0.00 N ATOM 107 CA LEU A 8 -2.391 -7.574 8.760 1.00 0.00 C ATOM 108 C LEU A 8 -0.893 -7.883 8.726 1.00 0.00 C ATOM 109 O LEU A 8 -0.470 -8.857 8.105 1.00 0.00 O ATOM 110 CB LEU A 8 -2.780 -6.329 7.961 1.00 0.00 C ATOM 111 CG LEU A 8 -4.272 -6.161 7.666 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.495 -5.205 6.493 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.942 -7.518 7.435 1.00 0.00 C ATOM 0 H LEU A 8 -3.318 -6.582 10.357 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.900 -8.407 8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.436 -5.450 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.242 -6.347 7.013 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.744 -5.713 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.564 -5.103 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.075 -4.229 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.006 -5.601 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.002 -7.370 7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.472 -8.016 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.830 -8.136 8.326 1.00 0.00 H new ATOM 125 N VAL A 9 -0.131 -7.036 9.402 1.00 0.00 N ATOM 126 CA VAL A 9 1.311 -7.206 9.457 1.00 0.00 C ATOM 127 C VAL A 9 1.637 -8.572 10.066 1.00 0.00 C ATOM 128 O VAL A 9 2.571 -9.261 9.662 1.00 0.00 O ATOM 129 CB VAL A 9 1.947 -6.044 10.223 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.464 -6.217 10.322 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.589 -4.703 9.579 1.00 0.00 C ATOM 0 H VAL A 9 -0.485 -6.230 9.917 1.00 0.00 H new ATOM 0 HA VAL A 9 1.735 -7.187 8.453 1.00 0.00 H new ATOM 0 HB VAL A 9 1.543 -6.049 11.235 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.891 -5.378 10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.691 -7.146 10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.892 -6.251 9.320 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.053 -3.893 10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.952 -4.685 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.507 -4.574 9.584 1.00 0.00 H new ATOM 141 N TYR A 10 0.832 -8.952 11.061 1.00 0.00 N ATOM 142 CA TYR A 10 1.008 -10.218 11.743 1.00 0.00 C ATOM 143 C TYR A 10 0.424 -11.344 10.902 1.00 0.00 C ATOM 144 O TYR A 10 0.593 -12.507 11.265 1.00 0.00 O ATOM 145 CB TYR A 10 0.332 -10.156 13.109 1.00 0.00 C ATOM 146 CG TYR A 10 0.973 -11.054 14.141 1.00 0.00 C ATOM 147 CD1 TYR A 10 2.015 -10.569 14.940 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.525 -12.371 14.298 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.610 -11.401 15.896 1.00 0.00 C ATOM 150 CE2 TYR A 10 1.119 -13.203 15.254 1.00 0.00 C ATOM 151 CZ TYR A 10 2.162 -12.719 16.052 1.00 0.00 C ATOM 152 OH TYR A 10 2.741 -13.530 16.983 1.00 0.00 O ATOM 0 H TYR A 10 0.052 -8.393 11.407 1.00 0.00 H new ATOM 0 HA TYR A 10 2.071 -10.414 11.886 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.354 -9.128 13.470 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.717 -10.433 12.999 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.360 -9.553 14.819 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.279 -12.745 13.681 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.414 -11.027 16.513 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.772 -14.219 15.376 1.00 0.00 H new ATOM 0 HH TYR A 10 2.312 -14.411 16.962 1.00 0.00 H new ATOM 162 N LYS A 11 -0.241 -10.987 9.813 1.00 0.00 N ATOM 163 CA LYS A 11 -0.839 -11.983 8.941 1.00 0.00 C ATOM 164 C LYS A 11 0.038 -12.159 7.699 1.00 0.00 C ATOM 165 O LYS A 11 0.723 -13.163 7.519 1.00 0.00 O ATOM 166 CB LYS A 11 -2.289 -11.617 8.623 1.00 0.00 C ATOM 167 CG LYS A 11 -3.220 -12.015 9.771 1.00 0.00 C ATOM 168 CD LYS A 11 -3.645 -13.480 9.649 1.00 0.00 C ATOM 169 CE LYS A 11 -4.928 -13.746 10.438 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.938 -14.405 9.580 1.00 0.00 N ATOM 0 H LYS A 11 -0.379 -10.021 9.515 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.882 -12.950 9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.366 -10.545 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.601 -12.117 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.716 -11.857 10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.102 -11.375 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.800 -13.731 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.847 -14.126 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.708 -14.376 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.326 -12.807 10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.802 -14.578 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.161 -13.790 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.561 -15.310 9.233 1.00 0.00 H new ATOM 184 N TYR A 12 -0.001 -11.143 6.833 1.00 0.00 N ATOM 185 CA TYR A 12 0.770 -11.156 5.606 1.00 0.00 C ATOM 186 C TYR A 12 2.195 -11.605 5.897 1.00 0.00 C ATOM 187 O TYR A 12 2.857 -12.108 4.991 1.00 0.00 O ATOM 188 CB TYR A 12 0.758 -9.762 4.985 1.00 0.00 C ATOM 189 CG TYR A 12 -0.579 -9.374 4.401 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.931 -9.801 3.115 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.466 -8.588 5.145 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.171 -9.441 2.573 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.706 -8.228 4.603 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.059 -8.655 3.317 1.00 0.00 C ATOM 195 OH TYR A 12 -4.267 -8.305 2.789 1.00 0.00 O ATOM 0 H TYR A 12 -0.563 -10.302 6.968 1.00 0.00 H new ATOM 0 HA TYR A 12 0.327 -11.858 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.039 -9.032 5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.515 -9.715 4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.246 -10.408 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.194 -8.259 6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.442 -9.770 1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.390 -7.621 5.177 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.568 -9.003 2.170 1.00 0.00 H new ATOM 205 N THR A 13 2.635 -11.420 7.133 1.00 0.00 N ATOM 206 CA THR A 13 3.980 -11.813 7.516 1.00 0.00 C ATOM 207 C THR A 13 4.079 -13.336 7.625 1.00 0.00 C ATOM 208 O THR A 13 5.095 -13.923 7.255 1.00 0.00 O ATOM 209 CB THR A 13 4.334 -11.087 8.815 1.00 0.00 C ATOM 210 OG1 THR A 13 4.547 -9.737 8.411 1.00 0.00 O ATOM 211 CG2 THR A 13 5.686 -11.525 9.382 1.00 0.00 C ATOM 0 H THR A 13 2.083 -11.003 7.883 1.00 0.00 H new ATOM 0 HA THR A 13 4.707 -11.524 6.757 1.00 0.00 H new ATOM 0 HB THR A 13 3.555 -11.268 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.973 -9.143 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.888 -10.979 10.304 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.664 -12.594 9.591 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.471 -11.314 8.656 1.00 0.00 H new ATOM 219 N ASN A 14 3.011 -13.932 8.134 1.00 0.00 N ATOM 220 CA ASN A 14 2.965 -15.375 8.296 1.00 0.00 C ATOM 221 C ASN A 14 2.969 -16.039 6.918 1.00 0.00 C ATOM 222 O ASN A 14 3.787 -16.919 6.651 1.00 0.00 O ATOM 223 CB ASN A 14 1.691 -15.807 9.025 1.00 0.00 C ATOM 224 CG ASN A 14 1.907 -15.828 10.540 1.00 0.00 C ATOM 225 OD1 ASN A 14 1.921 -14.805 11.205 1.00 0.00 O ATOM 226 ND2 ASN A 14 2.073 -17.046 11.046 1.00 0.00 N ATOM 0 H ASN A 14 2.171 -13.442 8.440 1.00 0.00 H new ATOM 0 HA ASN A 14 3.835 -15.677 8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.878 -15.124 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.390 -16.797 8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.223 -17.166 12.048 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.050 -17.861 10.433 1.00 0.00 H new ATOM 233 N ILE A 15 2.046 -15.593 6.078 1.00 0.00 N ATOM 234 CA ILE A 15 1.933 -16.133 4.734 1.00 0.00 C ATOM 235 C ILE A 15 3.299 -16.071 4.048 1.00 0.00 C ATOM 236 O ILE A 15 3.777 -17.072 3.516 1.00 0.00 O ATOM 237 CB ILE A 15 0.823 -15.419 3.961 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.557 -15.914 4.400 1.00 0.00 C ATOM 239 CG2 ILE A 15 1.029 -15.558 2.451 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.499 -14.740 4.675 1.00 0.00 C ATOM 0 H ILE A 15 1.369 -14.863 6.303 1.00 0.00 H new ATOM 0 HA ILE A 15 1.641 -17.182 4.768 1.00 0.00 H new ATOM 0 HB ILE A 15 0.873 -14.356 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.982 -16.552 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.460 -16.525 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.226 -15.041 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.987 -15.118 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.021 -16.613 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.473 -15.120 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.083 -14.118 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.613 -14.145 3.769 1.00 0.00 H new ATOM 252 N ALA A 16 3.889 -14.884 4.081 1.00 0.00 N ATOM 253 CA ALA A 16 5.190 -14.678 3.468 1.00 0.00 C ATOM 254 C ALA A 16 6.165 -15.740 3.981 1.00 0.00 C ATOM 255 O ALA A 16 6.744 -16.488 3.195 1.00 0.00 O ATOM 256 CB ALA A 16 5.672 -13.255 3.759 1.00 0.00 C ATOM 0 H ALA A 16 3.490 -14.056 4.523 1.00 0.00 H new ATOM 0 HA ALA A 16 5.125 -14.786 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.648 -13.100 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.960 -12.539 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.752 -13.111 4.837 1.00 0.00 H new ATOM 262 N HIS A 17 6.316 -15.772 5.297 1.00 0.00 N ATOM 263 CA HIS A 17 7.210 -16.730 5.925 1.00 0.00 C ATOM 264 C HIS A 17 6.799 -18.150 5.532 1.00 0.00 C ATOM 265 O HIS A 17 7.646 -19.031 5.397 1.00 0.00 O ATOM 266 CB HIS A 17 7.252 -16.522 7.440 1.00 0.00 C ATOM 267 CG HIS A 17 8.208 -17.443 8.160 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.581 -17.270 8.131 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.975 -18.546 8.929 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.139 -18.231 8.852 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.142 -19.021 9.345 1.00 0.00 N ATOM 0 H HIS A 17 5.834 -15.150 5.946 1.00 0.00 H new ATOM 0 HA HIS A 17 8.227 -16.572 5.567 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.533 -15.489 7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.250 -16.667 7.844 1.00 0.00 H new ATOM 0 HD1 HIS A 17 10.079 -16.528 7.638 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.005 -18.962 9.160 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.197 -18.365 9.020 1.00 0.00 H new ATOM 279 N SER A 18 5.497 -18.329 5.360 1.00 0.00 N ATOM 280 CA SER A 18 4.963 -19.627 4.985 1.00 0.00 C ATOM 281 C SER A 18 5.298 -19.929 3.523 1.00 0.00 C ATOM 282 O SER A 18 5.071 -21.040 3.048 1.00 0.00 O ATOM 283 CB SER A 18 3.450 -19.684 5.205 1.00 0.00 C ATOM 284 OG SER A 18 2.910 -20.961 4.876 1.00 0.00 O ATOM 0 H SER A 18 4.796 -17.596 5.474 1.00 0.00 H new ATOM 0 HA SER A 18 5.425 -20.383 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.226 -19.453 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.966 -18.919 4.598 1.00 0.00 H new ATOM 0 HG SER A 18 3.454 -21.375 4.174 1.00 0.00 H new ATOM 290 N ALA A 19 5.834 -18.920 2.852 1.00 0.00 N ATOM 291 CA ALA A 19 6.203 -19.064 1.454 1.00 0.00 C ATOM 292 C ALA A 19 7.726 -18.989 1.323 1.00 0.00 C ATOM 293 O ALA A 19 8.327 -19.767 0.584 1.00 0.00 O ATOM 294 CB ALA A 19 5.493 -17.991 0.626 1.00 0.00 C ATOM 0 H ALA A 19 6.021 -18.000 3.250 1.00 0.00 H new ATOM 0 HA ALA A 19 5.886 -20.034 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.770 -18.099 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.414 -18.106 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.789 -17.003 0.980 1.00 0.00 H new ATOM 300 N ASN A 20 8.305 -18.046 2.052 1.00 0.00 N ATOM 301 CA ASN A 20 9.745 -17.860 2.026 1.00 0.00 C ATOM 302 C ASN A 20 10.259 -17.689 3.457 1.00 0.00 C ATOM 303 O ASN A 20 10.235 -16.604 4.033 1.00 0.00 O ATOM 304 CB ASN A 20 10.125 -16.607 1.234 1.00 0.00 C ATOM 305 CG ASN A 20 10.621 -16.973 -0.166 1.00 0.00 C ATOM 306 OD1 ASN A 20 10.185 -16.430 -1.168 1.00 0.00 O ATOM 307 ND2 ASN A 20 11.554 -17.920 -0.179 1.00 0.00 N ATOM 0 H ASN A 20 7.803 -17.403 2.664 1.00 0.00 H new ATOM 0 HA ASN A 20 10.189 -18.735 1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.262 -15.946 1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.901 -16.057 1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.950 -18.234 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.874 -18.333 0.697 1.00 0.00 H new ATOM 314 N PRO A 21 10.730 -18.802 4.025 1.00 0.00 N ATOM 315 CA PRO A 21 11.266 -18.869 5.367 1.00 0.00 C ATOM 316 C PRO A 21 12.194 -17.687 5.606 1.00 0.00 C ATOM 317 O PRO A 21 12.382 -17.303 6.760 1.00 0.00 O ATOM 318 CB PRO A 21 12.034 -20.188 5.417 1.00 0.00 C ATOM 319 CG PRO A 21 11.254 -21.061 4.455 1.00 0.00 C ATOM 320 CD PRO A 21 10.773 -20.094 3.376 1.00 0.00 C ATOM 0 HA PRO A 21 10.494 -18.827 6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.071 -20.066 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.052 -20.609 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.880 -21.848 4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.417 -21.552 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.451 -20.085 2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.791 -20.380 2.999 1.00 0.00 H new ATOM 328 N MET A 22 12.750 -17.142 4.534 1.00 0.00 N ATOM 329 CA MET A 22 13.654 -16.010 4.653 1.00 0.00 C ATOM 330 C MET A 22 12.949 -14.811 5.290 1.00 0.00 C ATOM 331 O MET A 22 13.472 -14.143 6.180 1.00 0.00 O ATOM 332 CB MET A 22 14.170 -15.622 3.266 1.00 0.00 C ATOM 333 CG MET A 22 14.826 -16.816 2.571 1.00 0.00 C ATOM 334 SD MET A 22 16.124 -16.253 1.483 1.00 0.00 S ATOM 335 CE MET A 22 15.583 -16.986 -0.052 1.00 0.00 C ATOM 0 H MET A 22 12.592 -17.463 3.579 1.00 0.00 H new ATOM 0 HA MET A 22 14.488 -16.299 5.293 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.345 -15.251 2.658 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.890 -14.809 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 22 15.235 -17.500 3.315 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.080 -17.371 2.003 1.00 0.00 H new ATOM 0 HE1 MET A 22 16.287 -16.732 -0.845 1.00 0.00 H new ATOM 0 HE2 MET A 22 15.537 -18.069 0.058 1.00 0.00 H new ATOM 0 HE3 MET A 22 14.594 -16.605 -0.309 1.00 0.00 H new ATOM 345 N TYR A 23 11.732 -14.550 4.808 1.00 0.00 N ATOM 346 CA TYR A 23 10.935 -13.446 5.305 1.00 0.00 C ATOM 347 C TYR A 23 10.347 -13.804 6.662 1.00 0.00 C ATOM 348 O TYR A 23 9.576 -14.759 6.743 1.00 0.00 O ATOM 349 CB TYR A 23 9.829 -13.129 4.303 1.00 0.00 C ATOM 350 CG TYR A 23 9.217 -11.761 4.494 1.00 0.00 C ATOM 351 CD1 TYR A 23 8.134 -11.594 5.365 1.00 0.00 C ATOM 352 CD2 TYR A 23 9.733 -10.661 3.799 1.00 0.00 C ATOM 353 CE1 TYR A 23 7.568 -10.326 5.542 1.00 0.00 C ATOM 354 CE2 TYR A 23 9.167 -9.393 3.977 1.00 0.00 C ATOM 355 CZ TYR A 23 8.084 -9.226 4.848 1.00 0.00 C ATOM 356 OH TYR A 23 7.532 -7.990 5.021 1.00 0.00 O ATOM 0 H TYR A 23 11.283 -15.095 4.072 1.00 0.00 H new ATOM 0 HA TYR A 23 11.563 -12.563 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.233 -13.200 3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.047 -13.883 4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.735 -12.443 5.900 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.567 -10.790 3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.733 -10.197 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.566 -8.544 3.442 1.00 0.00 H new ATOM 0 HH TYR A 23 8.010 -7.338 4.467 1.00 0.00 H new ATOM 366 N GLU A 24 10.714 -13.047 7.686 1.00 0.00 N ATOM 367 CA GLU A 24 10.210 -13.303 9.024 1.00 0.00 C ATOM 368 C GLU A 24 9.337 -12.137 9.495 1.00 0.00 C ATOM 369 O GLU A 24 8.262 -12.349 10.053 1.00 0.00 O ATOM 370 CB GLU A 24 11.359 -13.557 10.003 1.00 0.00 C ATOM 371 CG GLU A 24 12.197 -14.760 9.564 1.00 0.00 C ATOM 372 CD GLU A 24 12.283 -15.804 10.678 1.00 0.00 C ATOM 373 OE1 GLU A 24 12.275 -15.381 11.854 1.00 0.00 O ATOM 374 OE2 GLU A 24 12.356 -17.002 10.329 1.00 0.00 O ATOM 0 H GLU A 24 11.354 -12.256 7.616 1.00 0.00 H new ATOM 0 HA GLU A 24 9.595 -14.203 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.992 -12.672 10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.959 -13.733 11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.757 -15.209 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.200 -14.430 9.292 1.00 0.00 H new ATOM 381 N ALA A 25 9.833 -10.933 9.252 1.00 0.00 N ATOM 382 CA ALA A 25 9.111 -9.734 9.644 1.00 0.00 C ATOM 383 C ALA A 25 9.176 -8.711 8.508 1.00 0.00 C ATOM 384 O ALA A 25 9.873 -8.886 7.511 1.00 0.00 O ATOM 385 CB ALA A 25 9.693 -9.192 10.951 1.00 0.00 C ATOM 0 H ALA A 25 10.725 -10.762 8.789 1.00 0.00 H new ATOM 0 HA ALA A 25 8.060 -9.960 9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.152 -8.293 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.596 -9.946 11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.746 -8.951 10.808 1.00 0.00 H new ATOM 391 N PRO A 26 8.424 -7.622 8.686 1.00 0.00 N ATOM 392 CA PRO A 26 8.336 -6.529 7.742 1.00 0.00 C ATOM 393 C PRO A 26 9.470 -5.546 7.992 1.00 0.00 C ATOM 394 O PRO A 26 10.335 -5.835 8.818 1.00 0.00 O ATOM 395 CB PRO A 26 6.980 -5.882 8.018 1.00 0.00 C ATOM 396 CG PRO A 26 6.364 -6.656 9.308 1.00 0.00 C ATOM 397 CD PRO A 26 7.593 -7.384 9.846 1.00 0.00 C ATOM 0 HA PRO A 26 8.421 -6.856 6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.091 -4.816 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.320 -5.977 7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.945 -5.964 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.568 -7.347 9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.115 -6.781 10.589 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.316 -8.320 10.332 1.00 0.00 H new ATOM 405 N SER A 27 9.450 -4.424 7.288 1.00 0.00 N ATOM 406 CA SER A 27 10.488 -3.420 7.449 1.00 0.00 C ATOM 407 C SER A 27 9.950 -2.043 7.053 1.00 0.00 C ATOM 408 O SER A 27 8.927 -1.944 6.378 1.00 0.00 O ATOM 409 CB SER A 27 11.724 -3.767 6.618 1.00 0.00 C ATOM 410 OG SER A 27 12.909 -3.184 7.154 1.00 0.00 O ATOM 0 H SER A 27 8.731 -4.188 6.604 1.00 0.00 H new ATOM 0 HA SER A 27 10.784 -3.399 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.840 -4.850 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.581 -3.421 5.594 1.00 0.00 H new ATOM 0 HG SER A 27 13.676 -3.430 6.596 1.00 0.00 H new ATOM 416 N ILE A 28 10.665 -1.016 7.489 1.00 0.00 N ATOM 417 CA ILE A 28 10.273 0.350 7.188 1.00 0.00 C ATOM 418 C ILE A 28 11.375 1.023 6.367 1.00 0.00 C ATOM 419 O ILE A 28 11.794 2.137 6.680 1.00 0.00 O ATOM 420 CB ILE A 28 9.917 1.100 8.472 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.163 1.352 9.324 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.827 0.363 9.254 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.094 2.720 10.005 1.00 0.00 C ATOM 0 H ILE A 28 11.514 -1.103 8.048 1.00 0.00 H new ATOM 0 HA ILE A 28 9.369 0.362 6.579 1.00 0.00 H new ATOM 0 HB ILE A 28 9.513 2.074 8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.256 0.571 10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.053 1.298 8.697 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.593 0.918 10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.931 0.279 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.180 -0.634 9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.991 2.874 10.604 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.025 3.501 9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.216 2.762 10.650 1.00 0.00 H new ATOM 435 N THR A 29 11.813 0.319 5.334 1.00 0.00 N ATOM 436 CA THR A 29 12.858 0.835 4.466 1.00 0.00 C ATOM 437 C THR A 29 12.852 0.097 3.127 1.00 0.00 C ATOM 438 O THR A 29 13.908 -0.160 2.550 1.00 0.00 O ATOM 439 CB THR A 29 14.189 0.728 5.214 1.00 0.00 C ATOM 440 OG1 THR A 29 14.114 1.749 6.205 1.00 0.00 O ATOM 441 CG2 THR A 29 15.382 1.135 4.347 1.00 0.00 C ATOM 0 H THR A 29 11.463 -0.604 5.078 1.00 0.00 H new ATOM 0 HA THR A 29 12.689 1.884 4.223 1.00 0.00 H new ATOM 0 HB THR A 29 14.327 -0.295 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.326 2.308 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.301 1.041 4.925 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.435 0.486 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.261 2.169 4.024 1.00 0.00 H new ATOM 449 N ASP A 30 11.651 -0.225 2.670 1.00 0.00 N ATOM 450 CA ASP A 30 11.493 -0.929 1.409 1.00 0.00 C ATOM 451 C ASP A 30 10.258 -0.395 0.682 1.00 0.00 C ATOM 452 O ASP A 30 10.309 -0.118 -0.516 1.00 0.00 O ATOM 453 CB ASP A 30 11.296 -2.429 1.636 1.00 0.00 C ATOM 454 CG ASP A 30 11.028 -2.833 3.087 1.00 0.00 C ATOM 455 OD1 ASP A 30 10.340 -2.050 3.777 1.00 0.00 O ATOM 456 OD2 ASP A 30 11.517 -3.916 3.475 1.00 0.00 O ATOM 0 H ASP A 30 10.777 -0.011 3.151 1.00 0.00 H new ATOM 0 HA ASP A 30 12.395 -0.769 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.463 -2.768 1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.185 -2.954 1.287 1.00 0.00 H new ATOM 461 N GLY A 31 9.177 -0.266 1.436 1.00 0.00 N ATOM 462 CA GLY A 31 7.930 0.231 0.879 1.00 0.00 C ATOM 463 C GLY A 31 8.160 1.514 0.078 1.00 0.00 C ATOM 464 O GLY A 31 7.648 1.658 -1.031 1.00 0.00 O ATOM 0 H GLY A 31 9.138 -0.497 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.487 -0.529 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.219 0.422 1.683 1.00 0.00 H new ATOM 468 N LYS A 32 8.931 2.413 0.672 1.00 0.00 N ATOM 469 CA LYS A 32 9.235 3.680 0.028 1.00 0.00 C ATOM 470 C LYS A 32 9.701 3.419 -1.406 1.00 0.00 C ATOM 471 O LYS A 32 9.188 4.020 -2.349 1.00 0.00 O ATOM 472 CB LYS A 32 10.236 4.480 0.864 1.00 0.00 C ATOM 473 CG LYS A 32 11.282 3.559 1.496 1.00 0.00 C ATOM 474 CD LYS A 32 12.697 4.089 1.256 1.00 0.00 C ATOM 475 CE LYS A 32 13.376 4.456 2.576 1.00 0.00 C ATOM 476 NZ LYS A 32 13.306 5.916 2.808 1.00 0.00 N ATOM 0 H LYS A 32 9.354 2.289 1.592 1.00 0.00 H new ATOM 0 HA LYS A 32 8.341 4.300 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.731 5.221 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.708 5.027 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.098 3.475 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.189 2.557 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.288 3.335 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.656 4.965 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.894 3.928 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.417 4.135 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.000 6.186 3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.518 6.419 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.351 6.171 3.131 1.00 0.00 H new ATOM 490 N ILE A 33 10.669 2.522 -1.526 1.00 0.00 N ATOM 491 CA ILE A 33 11.210 2.174 -2.829 1.00 0.00 C ATOM 492 C ILE A 33 10.108 1.546 -3.683 1.00 0.00 C ATOM 493 O ILE A 33 9.784 2.053 -4.756 1.00 0.00 O ATOM 494 CB ILE A 33 12.449 1.290 -2.675 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.534 2.001 -1.864 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.964 0.827 -4.040 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.390 0.994 -1.093 1.00 0.00 C ATOM 0 H ILE A 33 11.093 2.026 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 33 11.548 3.068 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 33 12.165 0.398 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.167 2.586 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.073 2.701 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.845 0.200 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.187 0.255 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.227 1.696 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.154 1.525 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.758 0.427 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.869 0.311 -1.795 1.00 0.00 H new ATOM 509 N PHE A 34 9.561 0.452 -3.175 1.00 0.00 N ATOM 510 CA PHE A 34 8.501 -0.251 -3.878 1.00 0.00 C ATOM 511 C PHE A 34 7.330 0.686 -4.183 1.00 0.00 C ATOM 512 O PHE A 34 6.483 0.374 -5.018 1.00 0.00 O ATOM 513 CB PHE A 34 8.016 -1.370 -2.953 1.00 0.00 C ATOM 514 CG PHE A 34 6.652 -1.946 -3.337 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.521 -2.689 -4.469 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.570 -1.717 -2.546 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.255 -3.224 -4.825 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.304 -2.252 -2.901 1.00 0.00 C ATOM 519 CZ PHE A 34 4.173 -2.994 -4.033 1.00 0.00 C ATOM 0 H PHE A 34 9.832 0.035 -2.285 1.00 0.00 H new ATOM 0 HA PHE A 34 8.877 -0.640 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.752 -2.174 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.964 -0.988 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.380 -2.872 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.674 -1.128 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.151 -3.813 -5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.445 -2.070 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.210 -3.401 -4.303 1.00 0.00 H new ATOM 529 N PHE A 35 7.320 1.814 -3.489 1.00 0.00 N ATOM 530 CA PHE A 35 6.268 2.798 -3.675 1.00 0.00 C ATOM 531 C PHE A 35 6.811 4.062 -4.344 1.00 0.00 C ATOM 532 O PHE A 35 6.083 5.039 -4.517 1.00 0.00 O ATOM 533 CB PHE A 35 5.741 3.158 -2.284 1.00 0.00 C ATOM 534 CG PHE A 35 4.683 4.263 -2.286 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.408 3.984 -2.670 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.017 5.525 -1.905 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.426 5.009 -2.672 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.035 6.551 -1.907 1.00 0.00 C ATOM 539 CZ PHE A 35 2.760 6.271 -2.290 1.00 0.00 C ATOM 0 H PHE A 35 8.024 2.069 -2.796 1.00 0.00 H new ATOM 0 HA PHE A 35 5.485 2.389 -4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.318 2.265 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.578 3.471 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.143 2.982 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.029 5.747 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.414 4.787 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.300 7.553 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.013 7.051 -2.291 1.00 0.00 H new ATOM 549 N ASN A 36 8.085 4.003 -4.702 1.00 0.00 N ATOM 550 CA ASN A 36 8.734 5.130 -5.349 1.00 0.00 C ATOM 551 C ASN A 36 9.664 4.616 -6.450 1.00 0.00 C ATOM 552 O ASN A 36 10.621 5.291 -6.825 1.00 0.00 O ATOM 553 CB ASN A 36 9.578 5.926 -4.352 1.00 0.00 C ATOM 554 CG ASN A 36 8.694 6.602 -3.302 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.476 6.596 -3.381 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.372 7.183 -2.316 1.00 0.00 N ATOM 0 H ASN A 36 8.686 3.192 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 36 7.957 5.775 -5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.289 5.262 -3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.160 6.680 -4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.872 7.660 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.391 7.151 -2.310 1.00 0.00 H new ATOM 563 N ARG A 37 9.349 3.425 -6.937 1.00 0.00 N ATOM 564 CA ARG A 37 10.144 2.812 -7.988 1.00 0.00 C ATOM 565 C ARG A 37 9.390 2.854 -9.318 1.00 0.00 C ATOM 566 O ARG A 37 8.506 2.034 -9.561 1.00 0.00 O ATOM 567 CB ARG A 37 10.481 1.359 -7.647 1.00 0.00 C ATOM 568 CG ARG A 37 11.667 0.862 -8.475 1.00 0.00 C ATOM 569 CD ARG A 37 12.963 0.915 -7.663 1.00 0.00 C ATOM 570 NE ARG A 37 13.710 2.153 -7.981 1.00 0.00 N ATOM 571 CZ ARG A 37 14.521 2.291 -9.038 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.696 1.268 -9.886 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.158 3.451 -9.247 1.00 0.00 N ATOM 0 H ARG A 37 8.554 2.868 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 37 11.071 3.378 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.714 1.276 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.613 0.727 -7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.482 -0.160 -8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.770 1.473 -9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.736 0.881 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.577 0.043 -7.886 1.00 0.00 H new ATOM 0 HE ARG A 37 13.600 2.951 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.212 0.385 -9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.314 1.373 -10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.025 4.229 -8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.776 3.556 -10.052 1.00 0.00 H new ATOM 587 N LYS A 38 9.766 3.819 -10.144 1.00 0.00 N ATOM 588 CA LYS A 38 9.136 3.979 -11.444 1.00 0.00 C ATOM 589 C LYS A 38 9.169 2.644 -12.190 1.00 0.00 C ATOM 590 O LYS A 38 10.164 2.313 -12.834 1.00 0.00 O ATOM 591 CB LYS A 38 9.784 5.131 -12.215 1.00 0.00 C ATOM 592 CG LYS A 38 9.233 5.216 -13.640 1.00 0.00 C ATOM 593 CD LYS A 38 10.254 5.850 -14.586 1.00 0.00 C ATOM 594 CE LYS A 38 10.878 7.099 -13.962 1.00 0.00 C ATOM 595 NZ LYS A 38 12.206 7.369 -14.558 1.00 0.00 N ATOM 0 H LYS A 38 10.499 4.498 -9.939 1.00 0.00 H new ATOM 0 HA LYS A 38 8.088 4.253 -11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.601 6.071 -11.694 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.864 4.990 -12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.975 4.218 -13.994 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.315 5.803 -13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.035 5.127 -14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.770 6.112 -15.527 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.223 7.956 -14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.977 6.964 -12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.615 8.220 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.834 6.558 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.103 7.519 -15.582 1.00 0.00 H new ATOM 609 N PHE A 39 8.070 1.913 -12.079 1.00 0.00 N ATOM 610 CA PHE A 39 7.961 0.621 -12.736 1.00 0.00 C ATOM 611 C PHE A 39 7.148 0.730 -14.028 1.00 0.00 C ATOM 612 O PHE A 39 6.446 1.716 -14.243 1.00 0.00 O ATOM 613 CB PHE A 39 7.233 -0.313 -11.767 1.00 0.00 C ATOM 614 CG PHE A 39 5.883 0.222 -11.283 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.790 0.136 -12.087 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.777 0.783 -10.048 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.537 0.632 -11.638 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.524 1.278 -9.599 1.00 0.00 C ATOM 619 CZ PHE A 39 3.431 1.193 -10.404 1.00 0.00 C ATOM 0 H PHE A 39 7.247 2.190 -11.544 1.00 0.00 H new ATOM 0 HA PHE A 39 8.953 0.249 -12.993 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.077 -1.276 -12.254 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.872 -0.493 -10.903 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.874 -0.310 -13.067 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.645 0.852 -9.410 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.669 0.564 -12.277 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.439 1.722 -8.618 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.479 1.571 -10.063 1.00 0.00 H new ATOM 629 N LYS A 40 7.272 -0.298 -14.854 1.00 0.00 N ATOM 630 CA LYS A 40 6.558 -0.331 -16.119 1.00 0.00 C ATOM 631 C LYS A 40 5.437 -1.370 -16.041 1.00 0.00 C ATOM 632 O LYS A 40 5.604 -2.423 -15.428 1.00 0.00 O ATOM 633 CB LYS A 40 7.530 -0.562 -17.278 1.00 0.00 C ATOM 634 CG LYS A 40 7.024 0.102 -18.560 1.00 0.00 C ATOM 635 CD LYS A 40 8.190 0.588 -19.423 1.00 0.00 C ATOM 636 CE LYS A 40 8.575 -0.463 -20.466 1.00 0.00 C ATOM 637 NZ LYS A 40 8.562 0.124 -21.824 1.00 0.00 N ATOM 0 H LYS A 40 7.856 -1.114 -14.672 1.00 0.00 H new ATOM 0 HA LYS A 40 6.087 0.632 -16.315 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.511 -0.162 -17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.656 -1.632 -17.444 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.419 -0.606 -19.126 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.378 0.943 -18.308 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.915 1.517 -19.922 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.049 0.808 -18.789 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.566 -0.858 -20.244 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.880 -1.301 -20.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.826 -0.603 -22.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.609 0.479 -22.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.243 0.909 -21.869 1.00 0.00 H new ATOM 651 N THR A 41 4.320 -1.037 -16.672 1.00 0.00 N ATOM 652 CA THR A 41 3.173 -1.928 -16.681 1.00 0.00 C ATOM 653 C THR A 41 3.154 -2.761 -17.965 1.00 0.00 C ATOM 654 O THR A 41 3.673 -2.365 -19.006 1.00 0.00 O ATOM 655 CB THR A 41 1.914 -1.080 -16.489 1.00 0.00 C ATOM 656 OG1 THR A 41 1.770 -0.387 -17.726 1.00 0.00 O ATOM 657 CG2 THR A 41 2.110 0.034 -15.459 1.00 0.00 C ATOM 0 H THR A 41 4.186 -0.163 -17.180 1.00 0.00 H new ATOM 0 HA THR A 41 3.226 -2.648 -15.864 1.00 0.00 H new ATOM 0 HB THR A 41 1.089 -1.721 -16.178 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.222 0.481 -17.669 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.187 0.605 -15.361 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.370 -0.403 -14.495 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.913 0.695 -15.786 1.00 0.00 H new ATOM 665 N PRO A 42 2.536 -3.940 -17.864 1.00 0.00 N ATOM 666 CA PRO A 42 2.399 -4.885 -18.951 1.00 0.00 C ATOM 667 C PRO A 42 1.538 -4.278 -20.050 1.00 0.00 C ATOM 668 O PRO A 42 1.432 -4.876 -21.119 1.00 0.00 O ATOM 669 CB PRO A 42 1.715 -6.101 -18.329 1.00 0.00 C ATOM 670 CG PRO A 42 0.893 -5.465 -17.129 1.00 0.00 C ATOM 671 CD PRO A 42 1.916 -4.436 -16.654 1.00 0.00 C ATOM 0 HA PRO A 42 3.354 -5.151 -19.405 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.064 -6.608 -19.042 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.438 -6.837 -17.979 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.042 -5.009 -17.455 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.641 -6.194 -16.359 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.437 -3.631 -16.097 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.652 -4.889 -15.990 1.00 0.00 H new ATOM 679 N SER A 43 0.950 -3.123 -19.773 1.00 0.00 N ATOM 680 CA SER A 43 0.105 -2.460 -20.753 1.00 0.00 C ATOM 681 C SER A 43 0.890 -1.350 -21.454 1.00 0.00 C ATOM 682 O SER A 43 0.321 -0.327 -21.833 1.00 0.00 O ATOM 683 CB SER A 43 -1.153 -1.889 -20.098 1.00 0.00 C ATOM 684 OG SER A 43 -1.015 -0.504 -19.792 1.00 0.00 O ATOM 0 H SER A 43 1.042 -2.630 -18.885 1.00 0.00 H new ATOM 0 HA SER A 43 -0.207 -3.198 -21.492 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.004 -2.030 -20.764 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.369 -2.442 -19.184 1.00 0.00 H new ATOM 0 HG SER A 43 -0.906 0.005 -20.622 1.00 0.00 H new ATOM 690 N GLY A 44 2.185 -1.588 -21.604 1.00 0.00 N ATOM 691 CA GLY A 44 3.054 -0.620 -22.252 1.00 0.00 C ATOM 692 C GLY A 44 2.799 0.790 -21.717 1.00 0.00 C ATOM 693 O GLY A 44 2.226 1.628 -22.412 1.00 0.00 O ATOM 0 H GLY A 44 2.653 -2.437 -21.288 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.096 -0.893 -22.086 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.887 -0.640 -23.329 1.00 0.00 H new ATOM 697 N LYS A 45 3.238 1.010 -20.486 1.00 0.00 N ATOM 698 CA LYS A 45 3.066 2.305 -19.850 1.00 0.00 C ATOM 699 C LYS A 45 3.745 2.289 -18.479 1.00 0.00 C ATOM 700 O LYS A 45 3.606 1.328 -17.724 1.00 0.00 O ATOM 701 CB LYS A 45 1.584 2.682 -19.798 1.00 0.00 C ATOM 702 CG LYS A 45 1.408 4.198 -19.679 1.00 0.00 C ATOM 703 CD LYS A 45 0.040 4.634 -20.206 1.00 0.00 C ATOM 704 CE LYS A 45 -0.955 4.823 -19.059 1.00 0.00 C ATOM 705 NZ LYS A 45 -0.564 5.978 -18.220 1.00 0.00 N ATOM 0 H LYS A 45 3.713 0.313 -19.912 1.00 0.00 H new ATOM 0 HA LYS A 45 3.550 3.086 -20.437 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.082 2.323 -20.697 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.109 2.189 -18.949 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.513 4.499 -18.637 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.195 4.704 -20.238 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.141 5.566 -20.762 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.340 3.887 -20.903 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.956 4.980 -19.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.993 3.920 -18.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.411 6.389 -17.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.093 5.662 -17.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.099 6.695 -18.812 1.00 0.00 H new ATOM 719 N GLU A 46 4.465 3.365 -18.199 1.00 0.00 N ATOM 720 CA GLU A 46 5.166 3.487 -16.932 1.00 0.00 C ATOM 721 C GLU A 46 4.279 4.185 -15.899 1.00 0.00 C ATOM 722 O GLU A 46 3.419 4.989 -16.257 1.00 0.00 O ATOM 723 CB GLU A 46 6.492 4.231 -17.108 1.00 0.00 C ATOM 724 CG GLU A 46 6.253 5.705 -17.442 1.00 0.00 C ATOM 725 CD GLU A 46 6.104 5.908 -18.951 1.00 0.00 C ATOM 726 OE1 GLU A 46 6.843 5.224 -19.692 1.00 0.00 O ATOM 727 OE2 GLU A 46 5.253 6.742 -19.330 1.00 0.00 O ATOM 0 H GLU A 46 4.578 4.160 -18.828 1.00 0.00 H new ATOM 0 HA GLU A 46 5.395 2.485 -16.568 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.081 4.152 -16.194 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.073 3.764 -17.903 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.355 6.056 -16.934 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.084 6.305 -17.071 1.00 0.00 H new ATOM 734 N ALA A 47 4.518 3.853 -14.639 1.00 0.00 N ATOM 735 CA ALA A 47 3.752 4.438 -13.552 1.00 0.00 C ATOM 736 C ALA A 47 4.495 4.217 -12.233 1.00 0.00 C ATOM 737 O ALA A 47 5.571 3.621 -12.215 1.00 0.00 O ATOM 738 CB ALA A 47 2.345 3.836 -13.538 1.00 0.00 C ATOM 0 H ALA A 47 5.232 3.186 -14.346 1.00 0.00 H new ATOM 0 HA ALA A 47 3.645 5.514 -13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.770 4.275 -12.723 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.850 4.047 -14.486 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.412 2.757 -13.396 1.00 0.00 H new ATOM 744 N ALA A 48 3.891 4.708 -11.161 1.00 0.00 N ATOM 745 CA ALA A 48 4.481 4.571 -9.841 1.00 0.00 C ATOM 746 C ALA A 48 3.391 4.735 -8.780 1.00 0.00 C ATOM 747 O ALA A 48 2.367 5.369 -9.030 1.00 0.00 O ATOM 748 CB ALA A 48 5.611 5.590 -9.679 1.00 0.00 C ATOM 0 H ALA A 48 2.999 5.201 -11.180 1.00 0.00 H new ATOM 0 HA ALA A 48 4.916 3.579 -9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.054 5.488 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.373 5.412 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.212 6.598 -9.795 1.00 0.00 H new ATOM 754 N CYS A 49 3.649 4.154 -7.617 1.00 0.00 N ATOM 755 CA CYS A 49 2.703 4.228 -6.517 1.00 0.00 C ATOM 756 C CYS A 49 2.692 5.663 -5.989 1.00 0.00 C ATOM 757 O CYS A 49 1.857 6.016 -5.157 1.00 0.00 O ATOM 758 CB CYS A 49 3.034 3.217 -5.417 1.00 0.00 C ATOM 759 SG CYS A 49 3.314 1.507 -6.006 1.00 0.00 S ATOM 0 H CYS A 49 4.500 3.630 -7.413 1.00 0.00 H new ATOM 0 HA CYS A 49 1.707 3.965 -6.872 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.925 3.555 -4.889 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.219 3.208 -4.694 1.00 0.00 H new ATOM 0 HG CYS A 49 4.549 1.168 -5.782 1.00 0.00 H new ATOM 764 N ALA A 50 3.629 6.453 -6.492 1.00 0.00 N ATOM 765 CA ALA A 50 3.738 7.842 -6.081 1.00 0.00 C ATOM 766 C ALA A 50 3.211 8.743 -7.200 1.00 0.00 C ATOM 767 O ALA A 50 3.256 9.968 -7.089 1.00 0.00 O ATOM 768 CB ALA A 50 5.191 8.155 -5.716 1.00 0.00 C ATOM 0 H ALA A 50 4.320 6.157 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 50 3.132 8.028 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.272 9.197 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.508 7.509 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.829 7.982 -6.583 1.00 0.00 H new ATOM 774 N SER A 51 2.724 8.103 -8.252 1.00 0.00 N ATOM 775 CA SER A 51 2.189 8.831 -9.390 1.00 0.00 C ATOM 776 C SER A 51 0.743 9.247 -9.113 1.00 0.00 C ATOM 777 O SER A 51 0.203 10.118 -9.792 1.00 0.00 O ATOM 778 CB SER A 51 2.265 7.991 -10.667 1.00 0.00 C ATOM 779 OG SER A 51 3.120 8.580 -11.643 1.00 0.00 O ATOM 0 H SER A 51 2.688 7.087 -8.341 1.00 0.00 H new ATOM 0 HA SER A 51 2.795 9.725 -9.539 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.627 6.992 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.265 7.874 -11.084 1.00 0.00 H new ATOM 0 HG SER A 51 3.143 8.013 -12.442 1.00 0.00 H new ATOM 785 N CYS A 52 0.158 8.603 -8.113 1.00 0.00 N ATOM 786 CA CYS A 52 -1.215 8.894 -7.738 1.00 0.00 C ATOM 787 C CYS A 52 -1.245 9.226 -6.245 1.00 0.00 C ATOM 788 O CYS A 52 -1.873 10.197 -5.827 1.00 0.00 O ATOM 789 CB CYS A 52 -2.155 7.738 -8.084 1.00 0.00 C ATOM 790 SG CYS A 52 -2.394 7.646 -9.896 1.00 0.00 S ATOM 0 H CYS A 52 0.610 7.881 -7.552 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.575 9.750 -8.308 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.741 6.799 -7.715 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.116 7.879 -7.589 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.192 6.660 -10.179 1.00 0.00 H new ATOM 795 N HIS A 53 -0.551 8.393 -5.469 1.00 0.00 N ATOM 796 CA HIS A 53 -0.462 8.549 -4.021 1.00 0.00 C ATOM 797 C HIS A 53 0.784 9.378 -3.662 1.00 0.00 C ATOM 798 O HIS A 53 1.239 9.347 -2.520 1.00 0.00 O ATOM 799 CB HIS A 53 -0.506 7.159 -3.368 1.00 0.00 C ATOM 800 CG HIS A 53 -1.625 6.240 -3.801 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.914 6.577 -3.694 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.604 4.979 -4.347 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.666 5.565 -4.155 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.907 4.553 -4.571 1.00 0.00 N ATOM 0 H HIS A 53 -0.035 7.591 -5.829 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.311 9.107 -3.627 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.442 6.659 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.574 7.292 -2.288 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.268 7.459 -3.323 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.714 4.409 -4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.746 5.571 -4.185 1.00 0.00 H new ATOM 812 N THR A 54 1.294 10.094 -4.654 1.00 0.00 N ATOM 813 CA THR A 54 2.470 10.923 -4.451 1.00 0.00 C ATOM 814 C THR A 54 3.576 10.120 -3.763 1.00 0.00 C ATOM 815 O THR A 54 3.349 8.995 -3.322 1.00 0.00 O ATOM 816 CB THR A 54 2.043 12.165 -3.666 1.00 0.00 C ATOM 817 OG1 THR A 54 1.365 11.641 -2.528 1.00 0.00 O ATOM 818 CG2 THR A 54 0.973 12.979 -4.396 1.00 0.00 C ATOM 0 H THR A 54 0.914 10.117 -5.600 1.00 0.00 H new ATOM 0 HA THR A 54 2.892 11.250 -5.401 1.00 0.00 H new ATOM 0 HB THR A 54 2.914 12.794 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.891 10.910 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.705 13.849 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.361 13.308 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.089 12.361 -4.553 1.00 0.00 H new ATOM 826 N ASN A 55 4.750 10.730 -3.693 1.00 0.00 N ATOM 827 CA ASN A 55 5.892 10.086 -3.067 1.00 0.00 C ATOM 828 C ASN A 55 5.499 9.610 -1.667 1.00 0.00 C ATOM 829 O ASN A 55 6.135 8.717 -1.110 1.00 0.00 O ATOM 830 CB ASN A 55 7.063 11.060 -2.924 1.00 0.00 C ATOM 831 CG ASN A 55 6.624 12.346 -2.221 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.513 12.415 -1.008 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.382 13.359 -3.048 1.00 0.00 N ATOM 0 H ASN A 55 4.935 11.664 -4.060 1.00 0.00 H new ATOM 0 HA ASN A 55 6.194 9.249 -3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.866 10.588 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.465 11.299 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.084 14.261 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.494 13.234 -4.054 1.00 0.00 H new ATOM 840 N ASN A 56 4.453 10.229 -1.138 1.00 0.00 N ATOM 841 CA ASN A 56 3.968 9.879 0.186 1.00 0.00 C ATOM 842 C ASN A 56 2.443 9.759 0.150 1.00 0.00 C ATOM 843 O ASN A 56 1.727 10.664 -0.273 1.00 0.00 O ATOM 844 CB ASN A 56 4.334 10.957 1.209 1.00 0.00 C ATOM 845 CG ASN A 56 4.644 10.336 2.572 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.280 9.300 2.681 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.162 11.024 3.602 1.00 0.00 N ATOM 0 H ASN A 56 3.928 10.970 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 56 4.429 8.935 0.476 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.199 11.519 0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.511 11.665 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.316 10.692 4.554 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.638 11.884 3.440 1.00 0.00 H new ATOM 854 N PRO A 57 1.957 8.605 0.612 1.00 0.00 N ATOM 855 CA PRO A 57 0.548 8.279 0.672 1.00 0.00 C ATOM 856 C PRO A 57 -0.124 9.117 1.750 1.00 0.00 C ATOM 857 O PRO A 57 -1.214 9.633 1.507 1.00 0.00 O ATOM 858 CB PRO A 57 0.505 6.794 1.027 1.00 0.00 C ATOM 859 CG PRO A 57 1.786 6.579 1.809 1.00 0.00 C ATOM 860 CD PRO A 57 2.770 7.520 1.117 1.00 0.00 C ATOM 0 HA PRO A 57 0.025 8.483 -0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.375 6.549 1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.470 6.169 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.662 6.828 2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.118 5.542 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.525 7.884 1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.299 7.014 0.309 1.00 0.00 H new ATOM 868 N ALA A 58 0.523 9.236 2.900 1.00 0.00 N ATOM 869 CA ALA A 58 -0.033 10.013 3.994 1.00 0.00 C ATOM 870 C ALA A 58 -0.360 11.423 3.498 1.00 0.00 C ATOM 871 O ALA A 58 -1.138 12.141 4.125 1.00 0.00 O ATOM 872 CB ALA A 58 0.951 10.021 5.166 1.00 0.00 C ATOM 0 H ALA A 58 1.427 8.807 3.098 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.961 9.565 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.534 10.604 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.127 8.999 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.893 10.466 4.847 1.00 0.00 H new ATOM 878 N ASN A 59 0.250 11.778 2.376 1.00 0.00 N ATOM 879 CA ASN A 59 0.033 13.089 1.789 1.00 0.00 C ATOM 880 C ASN A 59 -1.159 13.024 0.832 1.00 0.00 C ATOM 881 O ASN A 59 -1.666 11.942 0.539 1.00 0.00 O ATOM 882 CB ASN A 59 1.256 13.543 0.990 1.00 0.00 C ATOM 883 CG ASN A 59 1.371 15.069 0.983 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.472 15.787 1.389 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.524 15.523 0.501 1.00 0.00 N ATOM 0 H ASN A 59 0.894 11.180 1.858 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.152 13.795 2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.158 13.109 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.183 13.176 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.697 16.527 0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.235 14.867 0.177 1.00 0.00 H new ATOM 892 N VAL A 60 -1.572 14.195 0.371 1.00 0.00 N ATOM 893 CA VAL A 60 -2.695 14.285 -0.546 1.00 0.00 C ATOM 894 C VAL A 60 -2.277 13.735 -1.911 1.00 0.00 C ATOM 895 O VAL A 60 -1.191 14.040 -2.402 1.00 0.00 O ATOM 896 CB VAL A 60 -3.203 15.727 -0.612 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.252 15.888 -1.714 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.756 16.176 0.742 1.00 0.00 C ATOM 0 H VAL A 60 -1.149 15.090 0.616 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.528 13.678 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.358 16.370 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.597 16.922 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.811 15.628 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.096 15.229 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.110 17.204 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.583 15.527 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.969 16.117 1.494 1.00 0.00 H new ATOM 908 N GLY A 61 -3.162 12.934 -2.487 1.00 0.00 N ATOM 909 CA GLY A 61 -2.898 12.338 -3.786 1.00 0.00 C ATOM 910 C GLY A 61 -3.804 12.944 -4.860 1.00 0.00 C ATOM 911 O GLY A 61 -4.570 13.866 -4.584 1.00 0.00 O ATOM 0 H GLY A 61 -4.062 12.684 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.853 12.493 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.058 11.261 -3.735 1.00 0.00 H new ATOM 915 N LYS A 62 -3.687 12.401 -6.063 1.00 0.00 N ATOM 916 CA LYS A 62 -4.485 12.876 -7.180 1.00 0.00 C ATOM 917 C LYS A 62 -4.506 11.809 -8.276 1.00 0.00 C ATOM 918 O LYS A 62 -3.467 11.250 -8.623 1.00 0.00 O ATOM 919 CB LYS A 62 -3.981 14.239 -7.657 1.00 0.00 C ATOM 920 CG LYS A 62 -4.722 14.687 -8.918 1.00 0.00 C ATOM 921 CD LYS A 62 -4.302 16.100 -9.329 1.00 0.00 C ATOM 922 CE LYS A 62 -5.299 16.702 -10.321 1.00 0.00 C ATOM 923 NZ LYS A 62 -4.619 17.657 -11.224 1.00 0.00 N ATOM 0 H LYS A 62 -3.051 11.636 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.518 13.035 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.119 14.978 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.911 14.185 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.516 13.992 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.797 14.661 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.235 16.735 -8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.309 16.072 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.764 15.908 -10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.098 17.209 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.310 18.056 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.196 18.424 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.873 17.163 -11.753 1.00 0.00 H new ATOM 937 N ASN A 63 -5.700 11.560 -8.793 1.00 0.00 N ATOM 938 CA ASN A 63 -5.870 10.571 -9.843 1.00 0.00 C ATOM 939 C ASN A 63 -5.481 11.188 -11.188 1.00 0.00 C ATOM 940 O ASN A 63 -5.992 12.243 -11.562 1.00 0.00 O ATOM 941 CB ASN A 63 -7.326 10.112 -9.938 1.00 0.00 C ATOM 942 CG ASN A 63 -7.676 9.158 -8.794 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.830 8.731 -8.026 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.967 8.847 -8.724 1.00 0.00 N ATOM 0 H ASN A 63 -6.560 12.027 -8.504 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.237 9.716 -9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.987 10.978 -9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.493 9.616 -10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.301 8.216 -7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.623 9.240 -9.399 1.00 0.00 H new ATOM 951 N ILE A 64 -4.579 10.506 -11.877 1.00 0.00 N ATOM 952 CA ILE A 64 -4.115 10.974 -13.172 1.00 0.00 C ATOM 953 C ILE A 64 -5.088 10.507 -14.257 1.00 0.00 C ATOM 954 O ILE A 64 -4.822 10.672 -15.447 1.00 0.00 O ATOM 955 CB ILE A 64 -2.669 10.538 -13.413 1.00 0.00 C ATOM 956 CG1 ILE A 64 -2.611 9.113 -13.967 1.00 0.00 C ATOM 957 CG2 ILE A 64 -1.830 10.694 -12.143 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.177 8.724 -14.333 1.00 0.00 C ATOM 0 H ILE A 64 -4.157 9.632 -11.563 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.103 12.064 -13.201 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.236 11.195 -14.167 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.003 8.415 -13.227 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.249 9.035 -14.848 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.806 10.377 -12.342 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.832 11.738 -11.831 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.253 10.078 -11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.165 7.707 -14.724 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.796 9.409 -15.091 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.547 8.779 -13.445 1.00 0.00 H new ATOM 970 N VAL A 65 -6.194 9.933 -13.808 1.00 0.00 N ATOM 971 CA VAL A 65 -7.207 9.441 -14.725 1.00 0.00 C ATOM 972 C VAL A 65 -8.166 10.580 -15.078 1.00 0.00 C ATOM 973 O VAL A 65 -8.353 10.898 -16.251 1.00 0.00 O ATOM 974 CB VAL A 65 -7.917 8.228 -14.120 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.149 7.846 -14.942 1.00 0.00 C ATOM 976 CG2 VAL A 65 -6.958 7.043 -13.985 1.00 0.00 C ATOM 0 H VAL A 65 -6.411 9.798 -12.821 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.748 9.102 -15.654 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.254 8.502 -13.120 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.634 6.981 -14.490 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.846 8.684 -14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.846 7.601 -15.960 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.487 6.194 -13.553 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.576 6.770 -14.969 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.126 7.320 -13.337 1.00 0.00 H new ATOM 986 N THR A 66 -8.749 11.163 -14.041 1.00 0.00 N ATOM 987 CA THR A 66 -9.684 12.259 -14.226 1.00 0.00 C ATOM 988 C THR A 66 -9.090 13.564 -13.691 1.00 0.00 C ATOM 989 O THR A 66 -9.350 14.637 -14.232 1.00 0.00 O ATOM 990 CB THR A 66 -11.004 11.874 -13.557 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.775 12.115 -12.171 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.282 10.371 -13.632 1.00 0.00 C ATOM 0 H THR A 66 -8.592 10.897 -13.069 1.00 0.00 H new ATOM 0 HA THR A 66 -9.879 12.437 -15.284 1.00 0.00 H new ATOM 0 HB THR A 66 -11.822 12.419 -14.029 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.583 11.893 -11.662 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.231 10.152 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.332 10.062 -14.676 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.481 9.827 -13.131 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.302 13.428 -12.634 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.669 14.582 -12.019 1.00 0.00 C ATOM 1002 C GLY A 67 -8.613 15.261 -11.025 1.00 0.00 C ATOM 1003 O GLY A 67 -8.668 16.488 -10.955 1.00 0.00 O ATOM 0 H GLY A 67 -8.088 12.536 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.758 14.272 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.374 15.294 -12.790 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.334 14.434 -10.283 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.274 14.940 -9.296 1.00 0.00 C ATOM 1009 C LYS A 68 -9.506 15.389 -8.051 1.00 0.00 C ATOM 1010 O LYS A 68 -9.056 16.531 -7.973 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.359 13.901 -9.008 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.348 14.417 -7.961 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.680 14.802 -8.607 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.591 13.583 -8.755 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.633 13.584 -7.703 1.00 0.00 N ATOM 0 H LYS A 68 -9.287 13.417 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.798 15.815 -9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.891 13.661 -9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.899 12.978 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.515 13.650 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.924 15.282 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.176 15.560 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.498 15.246 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.059 13.589 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.000 12.670 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.243 12.750 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.181 13.556 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.208 14.447 -7.784 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.381 14.467 -7.108 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.676 14.754 -5.870 1.00 0.00 C ATOM 1031 C GLU A 69 -8.756 13.555 -4.923 1.00 0.00 C ATOM 1032 O GLU A 69 -9.847 13.131 -4.544 1.00 0.00 O ATOM 1033 CB GLU A 69 -9.228 16.016 -5.204 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.690 15.825 -4.794 1.00 0.00 C ATOM 1035 CD GLU A 69 -11.363 17.171 -4.520 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.793 17.937 -3.713 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -12.432 17.405 -5.124 1.00 0.00 O ATOM 0 H GLU A 69 -9.756 13.521 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.628 14.936 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.629 16.260 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.146 16.859 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.227 15.300 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.743 15.200 -3.903 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.587 13.042 -4.568 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.512 11.901 -3.673 1.00 0.00 C ATOM 1046 C ILE A 70 -6.911 12.344 -2.337 1.00 0.00 C ATOM 1047 O ILE A 70 -5.849 12.959 -2.271 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.753 10.749 -4.336 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.298 10.469 -5.738 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.773 9.499 -3.454 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.407 9.417 -5.695 1.00 0.00 C ATOM 0 H ILE A 70 -6.684 13.396 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.510 11.516 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.711 11.047 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.683 11.391 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.490 10.125 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.227 8.696 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.302 9.722 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.804 9.188 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.777 9.237 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.012 8.489 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.224 9.775 -5.068 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.626 12.013 -1.260 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.246 12.330 0.100 1.00 0.00 C ATOM 1065 C PRO A 71 -6.163 11.367 0.565 1.00 0.00 C ATOM 1066 O PRO A 71 -5.907 10.356 -0.086 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.525 12.151 0.916 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.284 11.120 0.161 1.00 0.00 C ATOM 1069 CD PRO A 71 -8.879 11.290 -1.301 1.00 0.00 C ATOM 0 HA PRO A 71 -6.842 13.337 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.309 11.824 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.084 13.083 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.045 10.119 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.358 11.255 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.762 10.324 -1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.635 11.842 -1.859 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.526 11.683 1.695 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.471 10.888 2.287 1.00 0.00 C ATOM 1079 C PRO A 72 -4.777 9.410 2.093 1.00 0.00 C ATOM 1080 O PRO A 72 -5.901 8.994 2.369 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.485 11.260 3.768 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.054 12.642 3.798 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.802 12.863 2.486 1.00 0.00 C ATOM 0 HA PRO A 72 -3.496 11.073 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.095 10.566 4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.482 11.234 4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.727 12.760 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.261 13.380 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.872 12.982 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.457 13.766 1.982 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.791 8.656 1.630 1.00 0.00 N ATOM 1092 CA LEU A 73 -3.978 7.232 1.408 1.00 0.00 C ATOM 1093 C LEU A 73 -3.793 6.485 2.730 1.00 0.00 C ATOM 1094 O LEU A 73 -4.408 5.443 2.950 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.059 6.739 0.288 1.00 0.00 C ATOM 1096 CG LEU A 73 -2.845 5.225 0.214 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -3.994 4.544 -0.532 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -1.485 4.894 -0.402 1.00 0.00 C ATOM 0 H LEU A 73 -2.860 9.004 1.402 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.993 7.030 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.468 7.075 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.087 7.218 0.405 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.843 4.830 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.817 3.469 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.932 4.739 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.053 4.938 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.358 3.812 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.433 5.304 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.694 5.329 0.208 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.941 7.047 3.576 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.667 6.447 4.870 1.00 0.00 C ATOM 1112 C ALA A 74 -3.970 5.906 5.463 1.00 0.00 C ATOM 1113 O ALA A 74 -4.780 6.634 6.031 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.997 7.479 5.780 1.00 0.00 C ATOM 0 H ALA A 74 -2.432 7.911 3.390 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.979 5.608 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.791 7.029 6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.062 7.810 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.660 8.334 5.910 1.00 0.00 H new ATOM 1120 N PRO A 75 -4.153 4.592 5.316 1.00 0.00 N ATOM 1121 CA PRO A 75 -5.311 3.870 5.800 1.00 0.00 C ATOM 1122 C PRO A 75 -5.373 3.964 7.317 1.00 0.00 C ATOM 1123 O PRO A 75 -6.394 3.594 7.894 1.00 0.00 O ATOM 1124 CB PRO A 75 -5.090 2.428 5.349 1.00 0.00 C ATOM 1125 CG PRO A 75 -4.045 2.478 4.272 1.00 0.00 C ATOM 1126 CD PRO A 75 -3.221 3.706 4.653 1.00 0.00 C ATOM 0 HA PRO A 75 -6.251 4.269 5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.761 1.806 6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.016 1.992 4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.438 1.573 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.490 2.581 3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.395 3.438 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.786 4.178 3.772 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.300 4.447 7.927 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.256 4.576 9.373 1.00 0.00 C ATOM 1136 C ARG A 76 -4.590 6.011 9.788 1.00 0.00 C ATOM 1137 O ARG A 76 -5.376 6.227 10.709 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.875 4.203 9.918 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.818 4.385 11.436 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.622 5.249 11.840 1.00 0.00 C ATOM 1141 NE ARG A 76 -2.002 6.680 11.821 1.00 0.00 N ATOM 1142 CZ ARG A 76 -2.560 7.322 12.856 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -2.806 6.666 13.999 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -2.873 8.621 12.750 1.00 0.00 N ATOM 0 H ARG A 76 -3.455 4.754 7.446 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.995 3.892 9.790 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.647 3.168 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.114 4.823 9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.741 4.849 11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.748 3.411 11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.280 4.968 12.836 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.790 5.076 11.157 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.828 7.210 10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.568 5.677 14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.231 7.155 14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.686 9.121 11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.298 9.109 13.538 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.975 6.953 9.089 1.00 0.00 N ATOM 1159 CA VAL A 77 -4.197 8.361 9.373 1.00 0.00 C ATOM 1160 C VAL A 77 -5.700 8.626 9.473 1.00 0.00 C ATOM 1161 O VAL A 77 -6.150 9.344 10.364 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.507 9.224 8.315 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -4.059 10.650 8.325 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.989 9.222 8.511 1.00 0.00 C ATOM 0 H VAL A 77 -3.323 6.769 8.326 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.755 8.631 10.332 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.720 8.790 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.551 11.242 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.128 10.628 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.892 11.098 9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.523 9.843 7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.749 9.620 9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.613 8.202 8.430 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.436 8.031 8.545 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.880 8.194 8.516 1.00 0.00 C ATOM 1176 C ASN A 78 -8.541 6.940 9.091 1.00 0.00 C ATOM 1177 O ASN A 78 -8.005 5.839 8.968 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.385 8.382 7.084 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.403 9.219 6.262 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.408 9.720 6.758 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.738 9.341 4.981 1.00 0.00 N ATOM 0 H ASN A 78 -6.059 7.435 7.808 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.132 9.076 9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.523 7.409 6.612 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.360 8.869 7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.147 9.880 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.586 8.895 4.631 1.00 0.00 H new ATOM 1188 N THR A 79 -9.696 7.147 9.705 1.00 0.00 N ATOM 1189 CA THR A 79 -10.437 6.047 10.299 1.00 0.00 C ATOM 1190 C THR A 79 -11.253 5.316 9.231 1.00 0.00 C ATOM 1191 O THR A 79 -11.262 4.087 9.184 1.00 0.00 O ATOM 1192 CB THR A 79 -11.290 6.610 11.437 1.00 0.00 C ATOM 1193 OG1 THR A 79 -12.316 7.342 10.771 1.00 0.00 O ATOM 1194 CG2 THR A 79 -10.549 7.669 12.256 1.00 0.00 C ATOM 0 H THR A 79 -10.138 8.061 9.804 1.00 0.00 H new ATOM 0 HA THR A 79 -9.765 5.298 10.719 1.00 0.00 H new ATOM 0 HB THR A 79 -11.603 5.797 12.093 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.917 7.740 11.435 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.199 8.035 13.050 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.653 7.229 12.694 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.266 8.498 11.608 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.920 6.103 8.400 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.738 5.547 7.335 1.00 0.00 C ATOM 1204 C LYS A 80 -11.828 4.970 6.248 1.00 0.00 C ATOM 1205 O LYS A 80 -11.889 5.394 5.095 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.728 6.592 6.819 1.00 0.00 C ATOM 1207 CG LYS A 80 -14.866 6.810 7.818 1.00 0.00 C ATOM 1208 CD LYS A 80 -15.503 8.189 7.631 1.00 0.00 C ATOM 1209 CE LYS A 80 -15.853 8.819 8.981 1.00 0.00 C ATOM 1210 NZ LYS A 80 -17.203 9.425 8.935 1.00 0.00 N ATOM 0 H LYS A 80 -11.911 7.122 8.442 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.347 4.725 7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.209 7.534 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.137 6.269 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.622 6.036 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.485 6.716 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.817 8.840 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.404 8.098 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.814 8.061 9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.115 9.579 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.425 9.848 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.228 10.162 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.906 8.691 8.712 1.00 0.00 H new ATOM 1224 N ARG A 81 -11.007 4.014 6.654 1.00 0.00 N ATOM 1225 CA ARG A 81 -10.087 3.375 5.729 1.00 0.00 C ATOM 1226 C ARG A 81 -9.946 1.888 6.062 1.00 0.00 C ATOM 1227 O ARG A 81 -10.707 1.062 5.561 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.707 4.035 5.780 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.676 5.307 4.931 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.338 4.985 3.474 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.273 6.234 2.682 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.335 6.817 2.111 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.551 6.269 2.240 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.182 7.949 1.410 1.00 0.00 N ATOM 0 H ARG A 81 -10.959 3.666 7.612 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.495 3.489 4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.453 4.276 6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.952 3.336 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.644 5.806 4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.938 6.000 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.384 4.461 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.092 4.318 3.056 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.363 6.678 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.668 5.407 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.359 6.713 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.257 8.367 1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.991 8.393 0.975 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.967 1.593 6.904 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.716 0.220 7.309 1.00 0.00 C ATOM 1250 C PHE A 82 -9.686 -0.212 8.410 1.00 0.00 C ATOM 1251 O PHE A 82 -9.271 -0.766 9.426 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.288 0.169 7.855 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.237 -0.220 6.813 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.542 -0.171 5.489 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.998 -0.613 7.211 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.567 -0.531 4.522 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -4.022 -0.974 6.244 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.327 -0.925 4.920 1.00 0.00 C ATOM 0 H PHE A 82 -8.338 2.281 7.317 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.851 -0.450 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.032 1.145 8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.250 -0.544 8.678 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.526 0.142 5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.756 -0.651 8.263 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.810 -0.492 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.038 -1.287 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.585 -1.199 4.184 1.00 0.00 H new ATOM 1268 N THR A 83 -10.961 0.058 8.171 1.00 0.00 N ATOM 1269 CA THR A 83 -11.994 -0.296 9.129 1.00 0.00 C ATOM 1270 C THR A 83 -12.487 -1.722 8.879 1.00 0.00 C ATOM 1271 O THR A 83 -13.220 -2.282 9.694 1.00 0.00 O ATOM 1272 CB THR A 83 -13.103 0.755 9.039 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.420 1.995 9.202 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.061 0.698 10.231 1.00 0.00 C ATOM 0 H THR A 83 -11.302 0.518 7.327 1.00 0.00 H new ATOM 0 HA THR A 83 -11.606 -0.294 10.148 1.00 0.00 H new ATOM 0 HB THR A 83 -13.664 0.613 8.115 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.648 2.594 8.460 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.828 1.464 10.118 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.532 -0.284 10.273 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.506 0.874 11.153 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.066 -2.271 7.749 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.455 -3.621 7.382 1.00 0.00 C ATOM 1284 C ASP A 84 -11.211 -4.415 6.980 1.00 0.00 C ATOM 1285 O ASP A 84 -10.536 -4.069 6.011 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.416 -3.613 6.191 1.00 0.00 C ATOM 1287 CG ASP A 84 -13.311 -4.828 5.267 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -12.240 -4.973 4.640 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -14.305 -5.584 5.209 1.00 0.00 O ATOM 0 H ASP A 84 -11.459 -1.804 7.075 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.949 -4.074 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.437 -3.549 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.236 -2.712 5.604 1.00 0.00 H new ATOM 1294 N ILE A 85 -10.944 -5.464 7.744 1.00 0.00 N ATOM 1295 CA ILE A 85 -9.793 -6.310 7.479 1.00 0.00 C ATOM 1296 C ILE A 85 -10.202 -7.439 6.532 1.00 0.00 C ATOM 1297 O ILE A 85 -9.436 -8.377 6.311 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.175 -6.800 8.791 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -7.690 -7.120 8.611 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.955 -7.990 9.353 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -6.963 -7.120 9.957 1.00 0.00 C ATOM 0 H ILE A 85 -11.505 -5.747 8.547 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.010 -5.742 6.977 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.244 -5.996 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.579 -8.094 8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.234 -6.386 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.495 -8.319 10.285 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.986 -7.692 9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.940 -8.808 8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.909 -7.350 9.801 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.055 -6.138 10.420 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.406 -7.872 10.610 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.407 -7.313 5.998 1.00 0.00 N ATOM 1314 CA ASP A 86 -11.927 -8.312 5.079 1.00 0.00 C ATOM 1315 C ASP A 86 -11.583 -7.907 3.644 1.00 0.00 C ATOM 1316 O ASP A 86 -10.664 -8.462 3.043 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.449 -8.420 5.187 1.00 0.00 C ATOM 1318 CG ASP A 86 -13.967 -9.760 5.715 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -13.749 -10.769 5.010 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -14.568 -9.745 6.810 1.00 0.00 O ATOM 0 H ASP A 86 -12.039 -6.534 6.184 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.478 -9.272 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.809 -7.626 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.881 -8.243 4.202 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.338 -6.944 3.138 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.124 -6.459 1.785 1.00 0.00 C ATOM 1327 C LYS A 87 -10.634 -6.181 1.577 1.00 0.00 C ATOM 1328 O LYS A 87 -10.142 -6.228 0.451 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.020 -5.252 1.500 1.00 0.00 C ATOM 1330 CG LYS A 87 -13.639 -5.345 0.104 1.00 0.00 C ATOM 1331 CD LYS A 87 -15.045 -4.740 0.086 1.00 0.00 C ATOM 1332 CE LYS A 87 -15.643 -4.787 -1.321 1.00 0.00 C ATOM 1333 NZ LYS A 87 -17.091 -5.088 -1.259 1.00 0.00 N ATOM 0 H LYS A 87 -13.099 -6.486 3.640 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.412 -7.219 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.810 -5.196 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.437 -4.335 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.006 -4.824 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.684 -6.388 -0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.688 -5.285 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.005 -3.708 0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.485 -3.832 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.133 -5.546 -1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.481 -5.116 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.235 -6.010 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.576 -4.349 -0.711 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.958 -5.898 2.680 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.534 -5.613 2.633 1.00 0.00 C ATOM 1349 C VAL A 88 -7.856 -6.581 1.661 1.00 0.00 C ATOM 1350 O VAL A 88 -7.158 -6.156 0.742 1.00 0.00 O ATOM 1351 CB VAL A 88 -7.942 -5.669 4.043 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -6.522 -6.239 4.019 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -7.968 -4.289 4.703 1.00 0.00 C ATOM 0 H VAL A 88 -10.370 -5.860 3.612 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.359 -4.603 2.261 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.561 -6.338 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.124 -6.268 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.542 -7.248 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.887 -5.607 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.542 -4.356 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.383 -3.589 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.997 -3.937 4.770 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.087 -7.864 1.897 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.507 -8.896 1.054 1.00 0.00 C ATOM 1365 C GLU A 89 -8.406 -9.159 -0.156 1.00 0.00 C ATOM 1366 O GLU A 89 -9.103 -10.171 -0.207 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.266 -10.181 1.848 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.301 -11.109 1.108 1.00 0.00 C ATOM 1369 CD GLU A 89 -5.927 -12.314 1.974 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -5.825 -12.119 3.205 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -5.751 -13.403 1.386 1.00 0.00 O ATOM 0 H GLU A 89 -8.668 -8.213 2.660 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.540 -8.544 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.860 -9.936 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.214 -10.693 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.760 -11.452 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.400 -10.560 0.834 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.360 -8.231 -1.100 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.161 -8.350 -2.307 1.00 0.00 C ATOM 1380 C ASP A 90 -8.810 -7.207 -3.262 1.00 0.00 C ATOM 1381 O ASP A 90 -8.176 -7.428 -4.293 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.654 -8.258 -1.987 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.542 -7.839 -3.161 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.435 -8.499 -4.217 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.307 -6.867 -2.976 1.00 0.00 O ATOM 0 H ASP A 90 -7.780 -7.393 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.948 -9.318 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.993 -9.228 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.793 -7.546 -1.174 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.238 -6.011 -2.885 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.977 -4.834 -3.695 1.00 0.00 C ATOM 1392 C GLU A 91 -7.471 -4.653 -3.898 1.00 0.00 C ATOM 1393 O GLU A 91 -7.033 -4.218 -4.962 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.599 -3.586 -3.065 1.00 0.00 C ATOM 1395 CG GLU A 91 -8.790 -3.124 -1.851 1.00 0.00 C ATOM 1396 CD GLU A 91 -9.169 -1.696 -1.452 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -9.152 -0.831 -2.354 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -9.467 -1.502 -0.253 1.00 0.00 O ATOM 0 H GLU A 91 -9.764 -5.832 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.441 -4.978 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.643 -2.785 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.625 -3.799 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.967 -3.799 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.725 -3.171 -2.079 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.720 -4.995 -2.862 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.273 -4.875 -2.913 1.00 0.00 C ATOM 1407 C PHE A 92 -4.689 -5.761 -4.016 1.00 0.00 C ATOM 1408 O PHE A 92 -3.654 -5.437 -4.594 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.737 -5.345 -1.560 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.905 -4.295 -0.821 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.941 -3.602 -1.484 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.131 -4.054 0.498 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.169 -2.627 -0.798 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.359 -3.078 1.184 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.395 -2.386 0.521 1.00 0.00 C ATOM 0 H PHE A 92 -7.087 -5.356 -1.981 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.992 -3.843 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.577 -5.637 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.127 -6.236 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.762 -3.793 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.897 -4.604 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.403 -2.077 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.538 -2.886 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.808 -1.644 1.042 1.00 0.00 H new ATOM 1425 N THR A 93 -5.379 -6.863 -4.273 1.00 0.00 N ATOM 1426 CA THR A 93 -4.941 -7.798 -5.295 1.00 0.00 C ATOM 1427 C THR A 93 -5.462 -7.369 -6.668 1.00 0.00 C ATOM 1428 O THR A 93 -4.768 -7.517 -7.673 1.00 0.00 O ATOM 1429 CB THR A 93 -5.399 -9.198 -4.882 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.319 -9.700 -4.099 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.478 -10.162 -6.068 1.00 0.00 C ATOM 0 H THR A 93 -6.238 -7.129 -3.791 1.00 0.00 H new ATOM 0 HA THR A 93 -3.855 -7.808 -5.383 1.00 0.00 H new ATOM 0 HB THR A 93 -6.375 -9.133 -4.401 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.500 -9.210 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.808 -11.141 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.188 -9.779 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.494 -10.253 -6.529 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.680 -6.846 -6.667 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.301 -6.395 -7.900 1.00 0.00 C ATOM 1441 C LYS A 94 -6.590 -5.133 -8.393 1.00 0.00 C ATOM 1442 O LYS A 94 -6.546 -4.861 -9.590 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.808 -6.215 -7.706 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.388 -7.339 -6.846 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.640 -7.935 -7.494 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.318 -9.257 -8.194 1.00 0.00 C ATOM 1447 NZ LYS A 94 -9.921 -9.015 -9.599 1.00 0.00 N ATOM 0 H LYS A 94 -7.253 -6.725 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.190 -7.149 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.005 -5.252 -7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.304 -6.202 -8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.639 -8.119 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.634 -6.954 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.404 -8.098 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.052 -7.229 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.514 -9.769 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.188 -9.913 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.706 -9.922 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.700 -8.546 -10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.078 -8.407 -9.622 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.043 -4.384 -7.434 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.324 -3.146 -7.711 1.00 0.00 C ATOM 1463 C HIS A 95 -4.023 -3.458 -8.474 1.00 0.00 C ATOM 1464 O HIS A 95 -3.798 -2.986 -9.586 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.116 -2.386 -6.392 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.722 -0.931 -6.500 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.737 -0.266 -7.659 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.300 -0.033 -5.549 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.340 0.997 -7.439 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.057 1.195 -6.153 1.00 0.00 N ATOM 0 H HIS A 95 -6.088 -4.622 -6.443 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.899 -2.489 -8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.039 -2.446 -5.816 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.348 -2.905 -5.818 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.177 -0.248 -4.498 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.260 1.754 -8.205 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.734 2.055 -5.710 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.172 -4.270 -7.843 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.906 -4.661 -8.429 1.00 0.00 C ATOM 1480 C CYS A 96 -2.150 -5.325 -9.776 1.00 0.00 C ATOM 1481 O CYS A 96 -1.242 -5.333 -10.605 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.179 -5.611 -7.480 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.285 -4.631 -6.248 1.00 0.00 S ATOM 0 H CYS A 96 -3.347 -4.667 -6.920 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.283 -3.781 -8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.892 -6.274 -6.990 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.486 -6.243 -8.036 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.347 -5.859 -9.970 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.680 -6.516 -11.222 1.00 0.00 C ATOM 1490 C ASN A 97 -4.075 -5.461 -12.257 1.00 0.00 C ATOM 1491 O ASN A 97 -4.171 -5.758 -13.447 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.862 -7.471 -11.046 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.411 -8.929 -11.158 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.976 -9.393 -12.199 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.538 -9.622 -10.030 1.00 0.00 N ATOM 0 H ASN A 97 -4.098 -5.850 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.807 -7.080 -11.549 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.327 -7.304 -10.074 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.619 -7.262 -11.802 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.264 -10.604 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.910 -9.172 -9.194 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.294 -4.249 -11.767 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.676 -3.148 -12.634 1.00 0.00 C ATOM 1504 C ASP A 98 -3.626 -2.040 -12.537 1.00 0.00 C ATOM 1505 O ASP A 98 -3.823 -0.946 -13.063 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.025 -2.560 -12.216 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.073 -2.490 -13.328 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -6.808 -1.768 -14.313 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.116 -3.161 -13.168 1.00 0.00 O ATOM 0 H ASP A 98 -4.214 -4.006 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.750 -3.530 -13.652 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.426 -3.157 -11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.861 -1.555 -11.828 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.533 -2.362 -11.861 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.452 -1.406 -11.688 1.00 0.00 C ATOM 1516 C ILE A 99 -0.142 -2.033 -12.169 1.00 0.00 C ATOM 1517 O ILE A 99 0.643 -1.386 -12.861 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.401 -0.911 -10.241 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.689 -0.173 -9.869 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.158 -0.051 -10.000 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.932 1.012 -10.805 1.00 0.00 C ATOM 0 H ILE A 99 -2.373 -3.271 -11.427 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.626 -0.520 -12.298 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.325 -1.778 -9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.534 -0.860 -9.920 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.626 0.179 -8.839 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.146 0.288 -8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.737 -0.641 -10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.179 0.813 -10.664 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.853 1.519 -10.519 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.097 1.709 -10.734 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.019 0.654 -11.831 1.00 0.00 H new ATOM 1533 N LEU A 100 0.055 -3.286 -11.784 1.00 0.00 N ATOM 1534 CA LEU A 100 1.256 -4.007 -12.167 1.00 0.00 C ATOM 1535 C LEU A 100 0.911 -5.017 -13.264 1.00 0.00 C ATOM 1536 O LEU A 100 1.745 -5.324 -14.115 1.00 0.00 O ATOM 1537 CB LEU A 100 1.919 -4.634 -10.940 1.00 0.00 C ATOM 1538 CG LEU A 100 2.599 -3.662 -9.974 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.253 -4.411 -8.811 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.595 -2.764 -10.710 1.00 0.00 C ATOM 0 H LEU A 100 -0.598 -3.820 -11.210 1.00 0.00 H new ATOM 0 HA LEU A 100 1.995 -3.323 -12.584 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.163 -5.193 -10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.662 -5.355 -11.282 1.00 0.00 H new ATOM 0 HG LEU A 100 1.834 -3.013 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.729 -3.696 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.493 -4.971 -8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.003 -5.100 -9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.064 -2.083 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.360 -3.380 -11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.071 -2.188 -11.473 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.319 -5.506 -13.207 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.784 -6.476 -14.185 1.00 0.00 C ATOM 1554 C GLY A 101 -0.922 -7.864 -13.557 1.00 0.00 C ATOM 1555 O GLY A 101 -1.119 -8.852 -14.263 1.00 0.00 O ATOM 0 H GLY A 101 -1.008 -5.249 -12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.745 -6.158 -14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.086 -6.519 -15.021 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.813 -7.896 -12.237 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.924 -9.147 -11.506 1.00 0.00 C ATOM 1561 C ALA A 102 -1.030 -8.850 -10.009 1.00 0.00 C ATOM 1562 O ALA A 102 -1.091 -7.690 -9.605 1.00 0.00 O ATOM 1563 CB ALA A 102 0.273 -10.040 -11.840 1.00 0.00 C ATOM 0 H ALA A 102 -0.649 -7.075 -11.654 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.825 -9.685 -11.800 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.191 -10.979 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.287 -10.245 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.195 -9.534 -11.556 1.00 0.00 H new ATOM 1569 N ASP A 103 -1.050 -9.919 -9.227 1.00 0.00 N ATOM 1570 CA ASP A 103 -1.148 -9.788 -7.783 1.00 0.00 C ATOM 1571 C ASP A 103 0.252 -9.598 -7.196 1.00 0.00 C ATOM 1572 O ASP A 103 1.162 -10.397 -7.408 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.757 -11.044 -7.156 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.488 -10.816 -5.832 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -2.123 -9.839 -5.142 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.395 -11.624 -5.538 1.00 0.00 O ATOM 0 H ASP A 103 -1.000 -10.880 -9.566 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.785 -8.931 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.455 -11.485 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.963 -11.773 -6.994 1.00 0.00 H new ATOM 1581 N CYS A 104 0.404 -8.506 -6.443 1.00 0.00 N ATOM 1582 CA CYS A 104 1.667 -8.178 -5.811 1.00 0.00 C ATOM 1583 C CYS A 104 2.058 -9.288 -4.846 1.00 0.00 C ATOM 1584 O CYS A 104 1.188 -10.063 -4.451 1.00 0.00 O ATOM 1585 CB CYS A 104 1.538 -6.844 -5.081 1.00 0.00 C ATOM 1586 SG CYS A 104 1.551 -5.509 -6.303 1.00 0.00 S ATOM 0 H CYS A 104 -0.342 -7.835 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 104 2.447 -8.087 -6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.614 -6.818 -4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.359 -6.718 -4.376 1.00 0.00 H new ATOM 1591 N SER A 105 3.332 -9.347 -4.489 1.00 0.00 N ATOM 1592 CA SER A 105 3.806 -10.370 -3.572 1.00 0.00 C ATOM 1593 C SER A 105 3.302 -10.079 -2.158 1.00 0.00 C ATOM 1594 O SER A 105 3.198 -8.934 -1.724 1.00 0.00 O ATOM 1595 CB SER A 105 5.334 -10.454 -3.584 1.00 0.00 C ATOM 1596 OG SER A 105 5.815 -11.528 -2.780 1.00 0.00 O ATOM 0 H SER A 105 4.051 -8.703 -4.818 1.00 0.00 H new ATOM 0 HA SER A 105 3.413 -11.332 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.682 -10.584 -4.609 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.752 -9.515 -3.222 1.00 0.00 H new ATOM 0 HG SER A 105 6.794 -11.549 -2.815 1.00 0.00 H new ATOM 1602 N PRO A 106 2.985 -11.158 -1.439 1.00 0.00 N ATOM 1603 CA PRO A 106 2.490 -11.117 -0.080 1.00 0.00 C ATOM 1604 C PRO A 106 3.489 -10.386 0.805 1.00 0.00 C ATOM 1605 O PRO A 106 3.103 -9.918 1.876 1.00 0.00 O ATOM 1606 CB PRO A 106 2.360 -12.581 0.335 1.00 0.00 C ATOM 1607 CG PRO A 106 3.266 -13.367 -0.659 1.00 0.00 C ATOM 1608 CD PRO A 106 3.094 -12.519 -1.918 1.00 0.00 C ATOM 0 HA PRO A 106 1.540 -10.590 0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.684 -12.729 1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.325 -12.917 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.303 -13.413 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.932 -14.395 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.944 -12.634 -2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.205 -12.814 -2.475 1.00 0.00 H new ATOM 1616 N SER A 107 4.732 -10.302 0.354 1.00 0.00 N ATOM 1617 CA SER A 107 5.763 -9.626 1.123 1.00 0.00 C ATOM 1618 C SER A 107 5.671 -8.114 0.906 1.00 0.00 C ATOM 1619 O SER A 107 5.823 -7.338 1.848 1.00 0.00 O ATOM 1620 CB SER A 107 7.155 -10.133 0.743 1.00 0.00 C ATOM 1621 OG SER A 107 7.555 -9.680 -0.548 1.00 0.00 O ATOM 0 H SER A 107 5.048 -10.691 -0.534 1.00 0.00 H new ATOM 0 HA SER A 107 5.602 -9.846 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.878 -9.796 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.162 -11.223 0.763 1.00 0.00 H new ATOM 0 HG SER A 107 8.450 -10.024 -0.753 1.00 0.00 H new ATOM 1627 N GLU A 108 5.424 -7.741 -0.341 1.00 0.00 N ATOM 1628 CA GLU A 108 5.310 -6.337 -0.694 1.00 0.00 C ATOM 1629 C GLU A 108 4.068 -5.725 -0.044 1.00 0.00 C ATOM 1630 O GLU A 108 3.962 -4.505 0.076 1.00 0.00 O ATOM 1631 CB GLU A 108 5.281 -6.153 -2.213 1.00 0.00 C ATOM 1632 CG GLU A 108 6.477 -6.845 -2.871 1.00 0.00 C ATOM 1633 CD GLU A 108 7.767 -6.061 -2.627 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.370 -6.280 -1.554 1.00 0.00 O ATOM 1635 OE2 GLU A 108 8.122 -5.259 -3.518 1.00 0.00 O ATOM 0 H GLU A 108 5.300 -8.388 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 108 6.189 -5.815 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.354 -6.561 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.293 -5.090 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.581 -7.855 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.302 -6.940 -3.943 1.00 0.00 H new ATOM 1642 N LYS A 109 3.158 -6.600 0.358 1.00 0.00 N ATOM 1643 CA LYS A 109 1.926 -6.161 0.993 1.00 0.00 C ATOM 1644 C LYS A 109 2.194 -5.877 2.473 1.00 0.00 C ATOM 1645 O LYS A 109 1.985 -4.759 2.941 1.00 0.00 O ATOM 1646 CB LYS A 109 0.809 -7.178 0.754 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.567 -6.536 0.943 1.00 0.00 C ATOM 1648 CD LYS A 109 -1.123 -6.029 -0.390 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.871 -7.140 -1.129 1.00 0.00 C ATOM 1650 NZ LYS A 109 -3.004 -7.634 -0.313 1.00 0.00 N ATOM 0 H LYS A 109 3.249 -7.611 0.257 1.00 0.00 H new ATOM 0 HA LYS A 109 1.578 -5.229 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.890 -7.582 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.921 -8.015 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.255 -7.262 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.492 -5.708 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.795 -5.189 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.307 -5.659 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.239 -6.766 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.189 -7.961 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.750 -7.999 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.674 -8.396 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.385 -6.854 0.261 1.00 0.00 H new ATOM 1664 N ALA A 110 2.651 -6.908 3.167 1.00 0.00 N ATOM 1665 CA ALA A 110 2.949 -6.783 4.584 1.00 0.00 C ATOM 1666 C ALA A 110 3.962 -5.655 4.790 1.00 0.00 C ATOM 1667 O ALA A 110 4.118 -5.152 5.902 1.00 0.00 O ATOM 1668 CB ALA A 110 3.453 -8.125 5.120 1.00 0.00 C ATOM 0 H ALA A 110 2.822 -7.834 2.775 1.00 0.00 H new ATOM 0 HA ALA A 110 2.050 -6.525 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.677 -8.032 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.686 -8.886 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.356 -8.415 4.583 1.00 0.00 H new ATOM 1674 N ASN A 111 4.624 -5.291 3.702 1.00 0.00 N ATOM 1675 CA ASN A 111 5.617 -4.232 3.749 1.00 0.00 C ATOM 1676 C ASN A 111 4.914 -2.875 3.671 1.00 0.00 C ATOM 1677 O ASN A 111 5.133 -2.009 4.516 1.00 0.00 O ATOM 1678 CB ASN A 111 6.585 -4.332 2.569 1.00 0.00 C ATOM 1679 CG ASN A 111 7.948 -3.734 2.926 1.00 0.00 C ATOM 1680 OD1 ASN A 111 8.971 -4.399 2.906 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.905 -2.445 3.251 1.00 0.00 N ATOM 0 H ASN A 111 4.492 -5.711 2.782 1.00 0.00 H new ATOM 0 HA ASN A 111 6.173 -4.333 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.706 -5.376 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.169 -3.810 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.763 -1.954 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.015 -1.948 3.247 1.00 0.00 H new ATOM 1688 N PHE A 112 4.084 -2.733 2.648 1.00 0.00 N ATOM 1689 CA PHE A 112 3.348 -1.497 2.448 1.00 0.00 C ATOM 1690 C PHE A 112 2.500 -1.158 3.676 1.00 0.00 C ATOM 1691 O PHE A 112 2.502 -0.020 4.141 1.00 0.00 O ATOM 1692 CB PHE A 112 2.423 -1.716 1.249 1.00 0.00 C ATOM 1693 CG PHE A 112 1.586 -0.490 0.876 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.107 0.466 0.061 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.322 -0.357 1.360 1.00 0.00 C ATOM 1696 CE1 PHE A 112 1.331 1.603 -0.285 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.454 0.781 1.013 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.067 1.737 0.198 1.00 0.00 C ATOM 0 H PHE A 112 3.905 -3.454 1.949 1.00 0.00 H new ATOM 0 HA PHE A 112 4.043 -0.674 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.024 -2.008 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.753 -2.548 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.111 0.360 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.091 -1.116 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.745 2.362 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.458 0.887 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.523 2.602 -0.065 1.00 0.00 H new ATOM 1708 N ILE A 113 1.796 -2.168 4.166 1.00 0.00 N ATOM 1709 CA ILE A 113 0.946 -1.992 5.331 1.00 0.00 C ATOM 1710 C ILE A 113 1.771 -1.398 6.474 1.00 0.00 C ATOM 1711 O ILE A 113 1.261 -0.609 7.268 1.00 0.00 O ATOM 1712 CB ILE A 113 0.253 -3.308 5.692 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -1.003 -3.516 4.844 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.049 -3.375 7.191 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.979 -4.882 4.155 1.00 0.00 C ATOM 0 H ILE A 113 1.797 -3.111 3.777 1.00 0.00 H new ATOM 0 HA ILE A 113 0.145 -1.285 5.115 1.00 0.00 H new ATOM 0 HB ILE A 113 0.935 -4.128 5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.889 -3.438 5.474 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.075 -2.728 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.541 -4.320 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.882 -3.305 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.703 -2.548 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.883 -5.005 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.105 -4.947 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.932 -5.669 4.908 1.00 0.00 H new ATOM 1727 N ALA A 114 3.033 -1.799 6.522 1.00 0.00 N ATOM 1728 CA ALA A 114 3.934 -1.316 7.554 1.00 0.00 C ATOM 1729 C ALA A 114 4.236 0.164 7.310 1.00 0.00 C ATOM 1730 O ALA A 114 3.875 1.041 8.091 1.00 0.00 O ATOM 1731 CB ALA A 114 5.200 -2.175 7.570 1.00 0.00 C ATOM 0 H ALA A 114 3.453 -2.454 5.862 1.00 0.00 H new ATOM 0 HA ALA A 114 3.471 -1.400 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.876 -1.812 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.934 -3.212 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.693 -2.114 6.600 1.00 0.00 H new ATOM 1737 N TYR A 115 4.916 0.424 6.191 1.00 0.00 N ATOM 1738 CA TYR A 115 5.282 1.775 5.817 1.00 0.00 C ATOM 1739 C TYR A 115 4.063 2.682 5.903 1.00 0.00 C ATOM 1740 O TYR A 115 4.225 3.871 6.175 1.00 0.00 O ATOM 1741 CB TYR A 115 5.855 1.772 4.403 1.00 0.00 C ATOM 1742 CG TYR A 115 7.056 2.673 4.237 1.00 0.00 C ATOM 1743 CD1 TYR A 115 8.312 2.254 4.692 1.00 0.00 C ATOM 1744 CD2 TYR A 115 6.913 3.925 3.629 1.00 0.00 C ATOM 1745 CE1 TYR A 115 9.426 3.089 4.538 1.00 0.00 C ATOM 1746 CE2 TYR A 115 8.026 4.760 3.476 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.283 4.342 3.930 1.00 0.00 C ATOM 1748 OH TYR A 115 10.368 5.155 3.780 1.00 0.00 O ATOM 0 H TYR A 115 5.221 -0.292 5.532 1.00 0.00 H new ATOM 0 HA TYR A 115 6.041 2.154 6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.135 0.753 4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.078 2.083 3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.422 1.288 5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.944 4.247 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 115 10.395 2.766 4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.915 5.727 3.008 1.00 0.00 H new ATOM 0 HH TYR A 115 11.098 4.834 4.349 1.00 0.00 H new ATOM 1758 N LEU A 116 2.886 2.118 5.675 1.00 0.00 N ATOM 1759 CA LEU A 116 1.660 2.895 5.733 1.00 0.00 C ATOM 1760 C LEU A 116 1.310 3.181 7.195 1.00 0.00 C ATOM 1761 O LEU A 116 0.942 4.302 7.541 1.00 0.00 O ATOM 1762 CB LEU A 116 0.543 2.192 4.959 1.00 0.00 C ATOM 1763 CG LEU A 116 0.255 2.731 3.557 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.124 4.212 3.606 1.00 0.00 C ATOM 1765 CD2 LEU A 116 1.435 2.473 2.618 1.00 0.00 C ATOM 0 H LEU A 116 2.756 1.132 5.450 1.00 0.00 H new ATOM 0 HA LEU A 116 1.797 3.859 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.796 1.135 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.373 2.255 5.546 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.602 2.192 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.324 4.570 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.016 4.339 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.697 4.784 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.205 2.866 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.325 2.968 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.618 1.401 2.549 1.00 0.00 H new ATOM 1777 N LEU A 117 1.438 2.147 8.013 1.00 0.00 N ATOM 1778 CA LEU A 117 1.140 2.273 9.430 1.00 0.00 C ATOM 1779 C LEU A 117 2.384 2.776 10.165 1.00 0.00 C ATOM 1780 O LEU A 117 2.422 2.781 11.395 1.00 0.00 O ATOM 1781 CB LEU A 117 0.590 0.955 9.981 1.00 0.00 C ATOM 1782 CG LEU A 117 1.630 -0.111 10.331 1.00 0.00 C ATOM 1783 CD1 LEU A 117 2.123 0.055 11.769 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.084 -1.516 10.070 1.00 0.00 C ATOM 0 H LEU A 117 1.744 1.218 7.722 1.00 0.00 H new ATOM 0 HA LEU A 117 0.354 3.011 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.007 1.173 10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.098 0.536 9.247 1.00 0.00 H new ATOM 0 HG LEU A 117 2.492 0.025 9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.861 -0.715 11.992 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.578 1.038 11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.282 -0.040 12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.843 -2.255 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.196 -1.681 10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.823 -1.615 9.016 1.00 0.00 H new ATOM 1796 N THR A 118 3.369 3.187 9.382 1.00 0.00 N ATOM 1797 CA THR A 118 4.611 3.691 9.943 1.00 0.00 C ATOM 1798 C THR A 118 4.592 5.220 9.992 1.00 0.00 C ATOM 1799 O THR A 118 4.541 5.810 11.070 1.00 0.00 O ATOM 1800 CB THR A 118 5.768 3.124 9.118 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.761 1.732 9.422 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.133 3.607 9.613 1.00 0.00 C ATOM 0 H THR A 118 3.333 3.182 8.363 1.00 0.00 H new ATOM 0 HA THR A 118 4.739 3.365 10.975 1.00 0.00 H new ATOM 0 HB THR A 118 5.641 3.406 8.073 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.865 1.368 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.919 3.175 8.993 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.179 4.694 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.276 3.296 10.648 1.00 0.00 H new