USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1012 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 47 LYS NZ :NH3+ -127:sc= 1.14 (180deg=0) USER MOD Set 1.2: A 49 GLN : amide:sc= -1.04 K(o=0.11,f=-12!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.057) USER MOD Single : A 23 SER OG : rot 180:sc= -0.284 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 31 SER OG : rot 58:sc=-0.00392 USER MOD Single : A 32 THR OG1 : rot -80:sc= 0.282 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.58 K(o=-2.6,f=-0.57) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0564 USER MOD Single : A 43 SER OG : rot 160:sc= 0.0295 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 160:sc= 0.556 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.102 USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= -0.012 (180deg=-0.189) USER MOD Single : A 58 MET CE :methyl 166:sc= -0.818 (180deg=-0.846) USER MOD Single : A 59 MET CE :methyl 146:sc= -3.84 (180deg=-9.77!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= -0.0287 (180deg=-0.278) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -115:sc= -0.3 (180deg=-1.91!) USER MOD Single : A 75 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.0086) USER MOD Single : A 78 ASN : amide:sc= -1.79 K(o=-1.8,f=-4.3!) USER MOD Single : A 83 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.957) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 88 MET CE :methyl -129:sc= -2.73 (180deg=-8.95!) USER MOD Single : A 90 SER OG : rot 77:sc= 0.23 USER MOD Single : A 92 ASN : amide:sc= -1.65 K(o=-1.6,f=-6.6!) USER MOD Single : A 93 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 170:sc= 0 (180deg=-0.164) USER MOD Single : A 99 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.0092) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 177:sc= 0 (180deg=-0.0169) USER MOD Single : A 103 THR OG1 : rot 111:sc= 1.18 USER MOD Single : A 105 GLN : amide:sc= -0.95 K(o=-0.95,f=-3!) USER MOD Single : A 106 GLN : amide:sc= -0.775 K(o=-0.77,f=-1.5!) USER MOD Single : A 109 SER OG : rot -36:sc= 0.214 USER MOD Single : A 111 TYR OH : rot -157:sc= 0.272 USER MOD Single : A 112 LYS NZ :NH3+ 166:sc= 0.00103 (180deg=0) USER MOD Single : B 457 SER OG : rot 180:sc= 0 USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD Single : B 464 THR OG1 : rot -7:sc= 0.168 USER MOD Single : B 465 THR OG1 : rot -66:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.206 13.778 13.604 1.00 0.00 N ATOM 2 CA PRO A 1 1.159 14.832 13.704 1.00 0.00 C ATOM 3 C PRO A 1 0.657 15.265 12.327 1.00 0.00 C ATOM 4 O PRO A 1 -0.544 15.244 12.059 1.00 0.00 O ATOM 5 CB PRO A 1 1.769 16.018 14.446 1.00 0.00 C ATOM 6 CG PRO A 1 3.210 15.661 14.592 1.00 0.00 C ATOM 7 CD PRO A 1 3.283 14.154 14.535 1.00 0.00 C ATOM 0 H2 PRO A 1 2.560 13.710 12.650 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.823 12.864 13.845 1.00 0.00 H new ATOM 0 HA PRO A 1 0.296 14.439 14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 1 1.644 16.945 13.886 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.296 16.166 15.417 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.804 16.109 13.795 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.609 16.034 15.535 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.255 13.815 14.178 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.133 13.710 15.519 1.00 0.00 H new ATOM 17 N SER A 2 1.586 15.656 11.460 1.00 0.00 N ATOM 18 CA SER A 2 1.238 16.092 10.113 1.00 0.00 C ATOM 19 C SER A 2 1.357 14.941 9.120 1.00 0.00 C ATOM 20 O SER A 2 0.626 14.883 8.131 1.00 0.00 O ATOM 21 CB SER A 2 2.141 17.249 9.681 1.00 0.00 C ATOM 22 OG SER A 2 1.672 17.842 8.482 1.00 0.00 O ATOM 0 H SER A 2 2.585 15.680 11.666 1.00 0.00 H new ATOM 0 HA SER A 2 0.202 16.432 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.179 17.999 10.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.159 16.886 9.537 1.00 0.00 H new ATOM 0 HG SER A 2 2.265 18.580 8.228 1.00 0.00 H new ATOM 28 N HIS A 3 2.282 14.026 9.391 1.00 0.00 N ATOM 29 CA HIS A 3 2.497 12.875 8.521 1.00 0.00 C ATOM 30 C HIS A 3 1.786 11.641 9.067 1.00 0.00 C ATOM 31 O HIS A 3 2.388 10.824 9.763 1.00 0.00 O ATOM 32 CB HIS A 3 3.993 12.594 8.372 1.00 0.00 C ATOM 33 CG HIS A 3 4.674 13.486 7.382 1.00 0.00 C ATOM 34 ND1 HIS A 3 5.085 14.768 7.682 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.017 13.276 6.089 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.650 15.308 6.616 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.622 14.423 5.637 1.00 0.00 N ATOM 0 H HIS A 3 2.895 14.059 10.206 1.00 0.00 H new ATOM 0 HA HIS A 3 2.080 13.108 7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.474 12.709 9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.131 11.556 8.069 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.847 12.374 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.064 16.304 6.556 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.990 14.568 4.697 1.00 0.00 H new ATOM 46 N SER A 4 0.503 11.512 8.745 1.00 0.00 N ATOM 47 CA SER A 4 -0.290 10.377 9.203 1.00 0.00 C ATOM 48 C SER A 4 -1.697 10.427 8.618 1.00 0.00 C ATOM 49 O SER A 4 -2.152 11.473 8.157 1.00 0.00 O ATOM 50 CB SER A 4 -0.360 10.361 10.731 1.00 0.00 C ATOM 51 OG SER A 4 -0.883 11.579 11.231 1.00 0.00 O ATOM 0 H SER A 4 -0.010 12.179 8.169 1.00 0.00 H new ATOM 0 HA SER A 4 0.195 9.463 8.859 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.985 9.531 11.061 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.636 10.193 11.142 1.00 0.00 H new ATOM 0 HG SER A 4 -0.919 11.542 12.210 1.00 0.00 H new ATOM 57 N GLY A 5 -2.383 9.288 8.640 1.00 0.00 N ATOM 58 CA GLY A 5 -3.732 9.225 8.109 1.00 0.00 C ATOM 59 C GLY A 5 -4.442 7.938 8.478 1.00 0.00 C ATOM 60 O GLY A 5 -3.807 6.899 8.656 1.00 0.00 O ATOM 0 H GLY A 5 -2.029 8.408 9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.306 10.073 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.696 9.318 7.024 1.00 0.00 H new ATOM 64 N ALA A 6 -5.764 8.008 8.595 1.00 0.00 N ATOM 65 CA ALA A 6 -6.564 6.842 8.946 1.00 0.00 C ATOM 66 C ALA A 6 -6.454 5.757 7.880 1.00 0.00 C ATOM 67 O ALA A 6 -7.015 5.883 6.791 1.00 0.00 O ATOM 68 CB ALA A 6 -8.018 7.241 9.146 1.00 0.00 C ATOM 0 H ALA A 6 -6.304 8.861 8.451 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.177 6.436 9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.604 6.360 9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.087 7.975 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.406 7.675 8.224 1.00 0.00 H new ATOM 74 N ALA A 7 -5.727 4.692 8.201 1.00 0.00 N ATOM 75 CA ALA A 7 -5.544 3.583 7.272 1.00 0.00 C ATOM 76 C ALA A 7 -6.035 2.274 7.878 1.00 0.00 C ATOM 77 O ALA A 7 -5.695 1.938 9.013 1.00 0.00 O ATOM 78 CB ALA A 7 -4.080 3.466 6.873 1.00 0.00 C ATOM 0 H ALA A 7 -5.255 4.573 9.097 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.137 3.785 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.957 2.634 6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.759 4.390 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.474 3.290 7.762 1.00 0.00 H new ATOM 84 N ILE A 8 -6.838 1.538 7.117 1.00 0.00 N ATOM 85 CA ILE A 8 -7.377 0.266 7.582 1.00 0.00 C ATOM 86 C ILE A 8 -6.777 -0.904 6.810 1.00 0.00 C ATOM 87 O ILE A 8 -7.154 -1.166 5.668 1.00 0.00 O ATOM 88 CB ILE A 8 -8.911 0.221 7.446 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.534 1.488 8.035 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.468 -1.019 8.131 1.00 0.00 C ATOM 91 CD1 ILE A 8 -11.045 1.513 7.956 1.00 0.00 C ATOM 0 H ILE A 8 -7.130 1.801 6.176 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.109 0.178 8.635 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.166 0.172 6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.231 1.581 9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.137 2.356 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.553 -1.036 8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.045 -1.911 7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.206 -0.999 9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.417 2.440 8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.356 1.452 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -11.452 0.665 8.506 1.00 0.00 H new ATOM 103 N PHE A 9 -5.841 -1.604 7.442 1.00 0.00 N ATOM 104 CA PHE A 9 -5.189 -2.748 6.816 1.00 0.00 C ATOM 105 C PHE A 9 -5.674 -4.054 7.436 1.00 0.00 C ATOM 106 O PHE A 9 -5.858 -4.146 8.649 1.00 0.00 O ATOM 107 CB PHE A 9 -3.670 -2.637 6.955 1.00 0.00 C ATOM 108 CG PHE A 9 -2.914 -3.583 6.066 1.00 0.00 C ATOM 109 CD1 PHE A 9 -3.272 -3.741 4.737 1.00 0.00 C ATOM 110 CD2 PHE A 9 -1.846 -4.314 6.560 1.00 0.00 C ATOM 111 CE1 PHE A 9 -2.579 -4.611 3.917 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.149 -5.186 5.745 1.00 0.00 C ATOM 113 CZ PHE A 9 -1.516 -5.334 4.422 1.00 0.00 C ATOM 0 H PHE A 9 -5.517 -1.399 8.387 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.449 -2.749 5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.366 -1.615 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.394 -2.827 7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.102 -3.178 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.555 -4.201 7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.868 -4.725 2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.319 -5.751 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.973 -6.014 3.783 1.00 0.00 H new ATOM 123 N GLU A 10 -5.879 -5.063 6.595 1.00 0.00 N ATOM 124 CA GLU A 10 -6.344 -6.364 7.062 1.00 0.00 C ATOM 125 C GLU A 10 -7.719 -6.249 7.711 1.00 0.00 C ATOM 126 O GLU A 10 -8.043 -6.992 8.638 1.00 0.00 O ATOM 127 CB GLU A 10 -5.346 -6.961 8.056 1.00 0.00 C ATOM 128 CG GLU A 10 -3.912 -6.963 7.552 1.00 0.00 C ATOM 129 CD GLU A 10 -3.534 -8.266 6.875 1.00 0.00 C ATOM 130 OE1 GLU A 10 -4.226 -8.658 5.912 1.00 0.00 O ATOM 131 OE2 GLU A 10 -2.546 -8.896 7.309 1.00 0.00 O ATOM 0 H GLU A 10 -5.731 -5.005 5.588 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.423 -7.024 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.394 -6.398 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.643 -7.984 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.776 -6.140 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.237 -6.783 8.388 1.00 0.00 H new ATOM 138 N LYS A 11 -8.525 -5.314 7.217 1.00 0.00 N ATOM 139 CA LYS A 11 -9.867 -5.100 7.748 1.00 0.00 C ATOM 140 C LYS A 11 -9.815 -4.675 9.212 1.00 0.00 C ATOM 141 O LYS A 11 -10.660 -5.072 10.014 1.00 0.00 O ATOM 142 CB LYS A 11 -10.705 -6.373 7.601 1.00 0.00 C ATOM 143 CG LYS A 11 -11.431 -6.473 6.270 1.00 0.00 C ATOM 144 CD LYS A 11 -12.593 -5.497 6.195 1.00 0.00 C ATOM 145 CE LYS A 11 -13.705 -6.023 5.301 1.00 0.00 C ATOM 146 NZ LYS A 11 -14.939 -5.195 5.403 1.00 0.00 N ATOM 0 H LYS A 11 -8.272 -4.692 6.449 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.333 -4.298 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.056 -7.241 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.436 -6.412 8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.733 -6.272 5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.799 -7.490 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.984 -5.317 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.241 -4.539 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.362 -6.038 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.935 -7.053 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.673 -5.587 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.281 -5.201 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.726 -4.218 5.117 1.00 0.00 H new ATOM 160 N VAL A 12 -8.818 -3.865 9.553 1.00 0.00 N ATOM 161 CA VAL A 12 -8.658 -3.384 10.920 1.00 0.00 C ATOM 162 C VAL A 12 -8.539 -1.864 10.955 1.00 0.00 C ATOM 163 O VAL A 12 -7.733 -1.277 10.233 1.00 0.00 O ATOM 164 CB VAL A 12 -7.419 -4.004 11.594 1.00 0.00 C ATOM 165 CG1 VAL A 12 -7.289 -3.523 13.033 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.492 -5.521 11.540 1.00 0.00 C ATOM 0 H VAL A 12 -8.109 -3.528 8.902 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.548 -3.689 11.470 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.533 -3.680 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.407 -3.974 13.489 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.190 -2.438 13.046 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.177 -3.813 13.595 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.610 -5.945 12.020 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.387 -5.861 12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.531 -5.847 10.501 1.00 0.00 H new ATOM 176 N SER A 13 -9.347 -1.235 11.800 1.00 0.00 N ATOM 177 CA SER A 13 -9.335 0.217 11.932 1.00 0.00 C ATOM 178 C SER A 13 -8.098 0.684 12.691 1.00 0.00 C ATOM 179 O SER A 13 -7.914 0.354 13.862 1.00 0.00 O ATOM 180 CB SER A 13 -10.598 0.695 12.651 1.00 0.00 C ATOM 181 OG SER A 13 -11.766 0.261 11.974 1.00 0.00 O ATOM 0 H SER A 13 -10.019 -1.708 12.404 1.00 0.00 H new ATOM 0 HA SER A 13 -9.309 0.647 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.604 0.316 13.673 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.594 1.783 12.715 1.00 0.00 H new ATOM 0 HG SER A 13 -12.559 0.578 12.454 1.00 0.00 H new ATOM 187 N GLY A 14 -7.251 1.454 12.015 1.00 0.00 N ATOM 188 CA GLY A 14 -6.041 1.953 12.641 1.00 0.00 C ATOM 189 C GLY A 14 -5.496 3.187 11.949 1.00 0.00 C ATOM 190 O GLY A 14 -5.969 3.565 10.877 1.00 0.00 O ATOM 0 H GLY A 14 -7.381 1.741 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.246 2.187 13.686 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.282 1.171 12.633 1.00 0.00 H new ATOM 194 N ILE A 15 -4.499 3.815 12.563 1.00 0.00 N ATOM 195 CA ILE A 15 -3.889 5.014 12.000 1.00 0.00 C ATOM 196 C ILE A 15 -2.505 4.711 11.436 1.00 0.00 C ATOM 197 O ILE A 15 -1.733 3.960 12.032 1.00 0.00 O ATOM 198 CB ILE A 15 -3.767 6.133 13.052 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.082 6.291 13.818 1.00 0.00 C ATOM 200 CG2 ILE A 15 -3.375 7.444 12.387 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.272 6.572 12.927 1.00 0.00 C ATOM 0 H ILE A 15 -4.096 3.514 13.450 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.543 5.353 11.196 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.986 5.859 13.762 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.272 5.382 14.388 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.978 7.103 14.538 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.293 8.225 13.143 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.416 7.324 11.883 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.135 7.724 11.658 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.169 6.672 13.538 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.104 7.497 12.376 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.402 5.749 12.224 1.00 0.00 H new ATOM 213 N ILE A 16 -2.198 5.299 10.284 1.00 0.00 N ATOM 214 CA ILE A 16 -0.907 5.090 9.642 1.00 0.00 C ATOM 215 C ILE A 16 0.028 6.272 9.895 1.00 0.00 C ATOM 216 O ILE A 16 -0.411 7.421 9.951 1.00 0.00 O ATOM 217 CB ILE A 16 -1.071 4.856 8.119 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.085 3.791 7.638 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.885 6.149 7.332 1.00 0.00 C ATOM 220 CD1 ILE A 16 -0.560 3.040 6.413 1.00 0.00 C ATOM 0 H ILE A 16 -2.826 5.923 9.777 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.464 4.196 10.081 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.087 4.504 7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.871 4.266 7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.092 3.080 8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.007 5.948 6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.629 6.879 7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.114 6.545 7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.188 2.301 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.501 2.537 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.710 3.741 5.592 1.00 0.00 H new ATOM 232 N ALA A 17 1.315 5.982 10.047 1.00 0.00 N ATOM 233 CA ALA A 17 2.308 7.020 10.295 1.00 0.00 C ATOM 234 C ALA A 17 3.552 6.805 9.441 1.00 0.00 C ATOM 235 O ALA A 17 4.272 5.822 9.612 1.00 0.00 O ATOM 236 CB ALA A 17 2.677 7.056 11.770 1.00 0.00 C ATOM 0 H ALA A 17 1.695 5.037 10.003 1.00 0.00 H new ATOM 0 HA ALA A 17 1.871 7.979 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.419 7.836 11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.787 7.267 12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.090 6.091 12.065 1.00 0.00 H new ATOM 242 N ILE A 18 3.799 7.732 8.521 1.00 0.00 N ATOM 243 CA ILE A 18 4.956 7.644 7.640 1.00 0.00 C ATOM 244 C ILE A 18 6.171 8.328 8.258 1.00 0.00 C ATOM 245 O ILE A 18 6.069 9.433 8.790 1.00 0.00 O ATOM 246 CB ILE A 18 4.668 8.279 6.266 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.343 7.757 5.706 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.808 7.994 5.300 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.986 8.340 4.357 1.00 0.00 C ATOM 0 H ILE A 18 3.213 8.552 8.367 1.00 0.00 H new ATOM 0 HA ILE A 18 5.168 6.584 7.504 1.00 0.00 H new ATOM 0 HB ILE A 18 4.587 9.359 6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.396 6.672 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.545 7.983 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.589 8.449 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.734 8.411 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.919 6.917 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.035 7.925 4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.900 9.423 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.765 8.092 3.636 1.00 0.00 H new ATOM 261 N ASN A 19 7.319 7.663 8.184 1.00 0.00 N ATOM 262 CA ASN A 19 8.554 8.206 8.736 1.00 0.00 C ATOM 263 C ASN A 19 9.426 8.798 7.634 1.00 0.00 C ATOM 264 O ASN A 19 10.004 8.069 6.827 1.00 0.00 O ATOM 265 CB ASN A 19 9.325 7.117 9.483 1.00 0.00 C ATOM 266 CG ASN A 19 10.037 7.652 10.710 1.00 0.00 C ATOM 267 OD1 ASN A 19 11.243 7.465 10.874 1.00 0.00 O ATOM 268 ND2 ASN A 19 9.292 8.322 11.582 1.00 0.00 N ATOM 0 H ASN A 19 7.420 6.747 7.747 1.00 0.00 H new ATOM 0 HA ASN A 19 8.293 9.000 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.636 6.327 9.782 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.055 6.666 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.716 8.705 12.427 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.296 8.454 11.407 1.00 0.00 H new ATOM 275 N GLU A 20 9.516 10.124 7.607 1.00 0.00 N ATOM 276 CA GLU A 20 10.318 10.816 6.603 1.00 0.00 C ATOM 277 C GLU A 20 11.596 11.382 7.217 1.00 0.00 C ATOM 278 O GLU A 20 12.156 12.356 6.716 1.00 0.00 O ATOM 279 CB GLU A 20 9.506 11.941 5.960 1.00 0.00 C ATOM 280 CG GLU A 20 8.669 11.486 4.775 1.00 0.00 C ATOM 281 CD GLU A 20 8.700 12.475 3.626 1.00 0.00 C ATOM 282 OE1 GLU A 20 9.753 13.113 3.420 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.670 12.610 2.931 1.00 0.00 O ATOM 0 H GLU A 20 9.044 10.741 8.268 1.00 0.00 H new ATOM 0 HA GLU A 20 10.596 10.092 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.849 12.379 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.186 12.728 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.033 10.519 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.638 11.341 5.097 1.00 0.00 H new ATOM 290 N ASP A 21 12.053 10.763 8.302 1.00 0.00 N ATOM 291 CA ASP A 21 13.266 11.205 8.979 1.00 0.00 C ATOM 292 C ASP A 21 14.472 10.398 8.508 1.00 0.00 C ATOM 293 O ASP A 21 15.597 10.897 8.487 1.00 0.00 O ATOM 294 CB ASP A 21 13.108 11.071 10.494 1.00 0.00 C ATOM 295 CG ASP A 21 14.049 11.983 11.257 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.940 13.217 11.097 1.00 0.00 O ATOM 297 OD2 ASP A 21 14.895 11.463 12.015 1.00 0.00 O ATOM 0 H ASP A 21 11.601 9.955 8.730 1.00 0.00 H new ATOM 0 HA ASP A 21 13.431 12.253 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.079 11.301 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.293 10.037 10.786 1.00 0.00 H new ATOM 302 N VAL A 22 14.226 9.149 8.129 1.00 0.00 N ATOM 303 CA VAL A 22 15.286 8.268 7.655 1.00 0.00 C ATOM 304 C VAL A 22 15.245 8.147 6.134 1.00 0.00 C ATOM 305 O VAL A 22 14.173 8.210 5.531 1.00 0.00 O ATOM 306 CB VAL A 22 15.163 6.867 8.287 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.849 6.210 7.890 1.00 0.00 C ATOM 308 CG2 VAL A 22 16.345 5.989 7.904 1.00 0.00 C ATOM 0 H VAL A 22 13.299 8.723 8.141 1.00 0.00 H new ATOM 0 HA VAL A 22 16.238 8.706 7.954 1.00 0.00 H new ATOM 0 HB VAL A 22 15.171 6.985 9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.783 5.223 8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.017 6.825 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.805 6.111 6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.233 5.007 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.382 5.881 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.269 6.450 8.254 1.00 0.00 H new ATOM 318 N SER A 23 16.415 7.982 5.516 1.00 0.00 N ATOM 319 CA SER A 23 16.505 7.861 4.060 1.00 0.00 C ATOM 320 C SER A 23 15.414 6.931 3.519 1.00 0.00 C ATOM 321 O SER A 23 14.483 7.385 2.854 1.00 0.00 O ATOM 322 CB SER A 23 17.895 7.362 3.649 1.00 0.00 C ATOM 323 OG SER A 23 17.842 6.625 2.439 1.00 0.00 O ATOM 0 H SER A 23 17.312 7.929 5.999 1.00 0.00 H new ATOM 0 HA SER A 23 16.350 8.849 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.568 8.211 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.308 6.736 4.440 1.00 0.00 H new ATOM 0 HG SER A 23 18.743 6.321 2.201 1.00 0.00 H new ATOM 329 N PRO A 24 15.499 5.620 3.810 1.00 0.00 N ATOM 330 CA PRO A 24 14.496 4.653 3.356 1.00 0.00 C ATOM 331 C PRO A 24 13.157 4.868 4.053 1.00 0.00 C ATOM 332 O PRO A 24 12.833 4.181 5.022 1.00 0.00 O ATOM 333 CB PRO A 24 15.096 3.302 3.752 1.00 0.00 C ATOM 334 CG PRO A 24 16.004 3.612 4.891 1.00 0.00 C ATOM 335 CD PRO A 24 16.559 4.980 4.611 1.00 0.00 C ATOM 0 HA PRO A 24 14.290 4.738 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.320 2.595 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.641 2.852 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.464 3.595 5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.803 2.874 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.755 5.530 5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.500 4.928 4.064 1.00 0.00 H new ATOM 343 N ALA A 25 12.387 5.836 3.558 1.00 0.00 N ATOM 344 CA ALA A 25 11.083 6.161 4.133 1.00 0.00 C ATOM 345 C ALA A 25 10.290 4.904 4.480 1.00 0.00 C ATOM 346 O ALA A 25 10.155 3.995 3.661 1.00 0.00 O ATOM 347 CB ALA A 25 10.290 7.036 3.174 1.00 0.00 C ATOM 0 H ALA A 25 12.646 6.411 2.756 1.00 0.00 H new ATOM 0 HA ALA A 25 11.256 6.709 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.321 7.271 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.838 7.960 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.143 6.505 2.234 1.00 0.00 H new ATOM 353 N GLU A 26 9.770 4.860 5.703 1.00 0.00 N ATOM 354 CA GLU A 26 8.993 3.715 6.163 1.00 0.00 C ATOM 355 C GLU A 26 7.590 4.138 6.587 1.00 0.00 C ATOM 356 O GLU A 26 7.388 5.246 7.084 1.00 0.00 O ATOM 357 CB GLU A 26 9.704 3.026 7.329 1.00 0.00 C ATOM 358 CG GLU A 26 9.545 1.514 7.331 1.00 0.00 C ATOM 359 CD GLU A 26 10.289 0.851 8.474 1.00 0.00 C ATOM 360 OE1 GLU A 26 9.692 0.697 9.560 1.00 0.00 O ATOM 361 OE2 GLU A 26 11.468 0.487 8.283 1.00 0.00 O ATOM 0 H GLU A 26 9.873 5.604 6.393 1.00 0.00 H new ATOM 0 HA GLU A 26 8.904 3.014 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.765 3.271 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.317 3.425 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.486 1.264 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.908 1.113 6.385 1.00 0.00 H new ATOM 368 N LEU A 27 6.625 3.246 6.387 1.00 0.00 N ATOM 369 CA LEU A 27 5.239 3.521 6.748 1.00 0.00 C ATOM 370 C LEU A 27 4.783 2.600 7.876 1.00 0.00 C ATOM 371 O LEU A 27 4.800 1.377 7.738 1.00 0.00 O ATOM 372 CB LEU A 27 4.333 3.345 5.527 1.00 0.00 C ATOM 373 CG LEU A 27 2.833 3.446 5.812 1.00 0.00 C ATOM 374 CD1 LEU A 27 2.099 4.020 4.609 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.269 2.081 6.185 1.00 0.00 C ATOM 0 H LEU A 27 6.778 2.325 5.976 1.00 0.00 H new ATOM 0 HA LEU A 27 5.171 4.552 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.598 4.099 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.537 2.372 5.079 1.00 0.00 H new ATOM 0 HG LEU A 27 2.686 4.120 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.034 4.085 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.485 5.015 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.252 3.372 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.201 2.171 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.427 1.385 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.775 1.710 7.076 1.00 0.00 H new ATOM 387 N THR A 28 4.377 3.195 8.993 1.00 0.00 N ATOM 388 CA THR A 28 3.917 2.427 10.145 1.00 0.00 C ATOM 389 C THR A 28 2.396 2.461 10.252 1.00 0.00 C ATOM 390 O THR A 28 1.757 3.431 9.845 1.00 0.00 O ATOM 391 CB THR A 28 4.542 2.974 11.429 1.00 0.00 C ATOM 392 OG1 THR A 28 5.952 3.050 11.308 1.00 0.00 O ATOM 393 CG2 THR A 28 4.231 2.135 12.650 1.00 0.00 C ATOM 0 H THR A 28 4.357 4.206 9.125 1.00 0.00 H new ATOM 0 HA THR A 28 4.229 1.392 10.008 1.00 0.00 H new ATOM 0 HB THR A 28 4.103 3.963 11.565 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.333 3.404 12.139 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.704 2.578 13.526 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.152 2.097 12.800 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.613 1.124 12.504 1.00 0.00 H new ATOM 401 N TRP A 29 1.823 1.396 10.802 1.00 0.00 N ATOM 402 CA TRP A 29 0.376 1.304 10.963 1.00 0.00 C ATOM 403 C TRP A 29 0.020 0.618 12.280 1.00 0.00 C ATOM 404 O TRP A 29 0.384 -0.536 12.508 1.00 0.00 O ATOM 405 CB TRP A 29 -0.240 0.543 9.784 1.00 0.00 C ATOM 406 CG TRP A 29 -1.694 0.221 9.967 1.00 0.00 C ATOM 407 CD1 TRP A 29 -2.737 1.101 9.959 1.00 0.00 C ATOM 408 CD2 TRP A 29 -2.263 -1.075 10.188 1.00 0.00 C ATOM 409 NE1 TRP A 29 -3.920 0.432 10.160 1.00 0.00 N ATOM 410 CE2 TRP A 29 -3.655 -0.905 10.304 1.00 0.00 C ATOM 411 CE3 TRP A 29 -1.730 -2.362 10.298 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -4.520 -1.974 10.524 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -2.589 -3.423 10.516 1.00 0.00 C ATOM 414 CH2 TRP A 29 -3.971 -3.223 10.627 1.00 0.00 C ATOM 0 H TRP A 29 2.338 0.585 11.144 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.032 2.314 10.983 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.120 1.136 8.878 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.312 -0.385 9.633 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.646 2.168 9.816 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.845 0.861 10.196 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.666 -2.525 10.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.586 -1.823 10.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.188 -4.422 10.602 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.616 -4.072 10.797 1.00 0.00 H new ATOM 425 N ARG A 30 -0.694 1.336 13.140 1.00 0.00 N ATOM 426 CA ARG A 30 -1.102 0.798 14.433 1.00 0.00 C ATOM 427 C ARG A 30 -2.622 0.783 14.560 1.00 0.00 C ATOM 428 O ARG A 30 -3.302 1.699 14.097 1.00 0.00 O ATOM 429 CB ARG A 30 -0.492 1.623 15.568 1.00 0.00 C ATOM 430 CG ARG A 30 -0.703 3.120 15.413 1.00 0.00 C ATOM 431 CD ARG A 30 0.512 3.793 14.795 1.00 0.00 C ATOM 432 NE ARG A 30 0.768 5.107 15.380 1.00 0.00 N ATOM 433 CZ ARG A 30 1.929 5.750 15.281 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.943 5.204 14.620 1.00 0.00 N ATOM 435 NH2 ARG A 30 2.077 6.942 15.843 1.00 0.00 N ATOM 0 H ARG A 30 -1.002 2.292 12.965 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.739 -0.227 14.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.925 1.300 16.515 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.577 1.419 15.620 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.578 3.302 14.789 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.909 3.562 16.388 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.387 3.158 14.933 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.361 3.898 13.721 1.00 0.00 H new ATOM 0 HE ARG A 30 0.012 5.558 15.895 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.834 4.288 14.185 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.831 5.701 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.301 7.366 16.351 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.967 7.435 15.767 1.00 0.00 H new ATOM 449 N SER A 31 -3.149 -0.262 15.189 1.00 0.00 N ATOM 450 CA SER A 31 -4.589 -0.395 15.376 1.00 0.00 C ATOM 451 C SER A 31 -5.148 0.789 16.159 1.00 0.00 C ATOM 452 O SER A 31 -4.498 1.309 17.066 1.00 0.00 O ATOM 453 CB SER A 31 -4.912 -1.702 16.103 1.00 0.00 C ATOM 454 OG SER A 31 -4.127 -1.842 17.275 1.00 0.00 O ATOM 0 H SER A 31 -2.601 -1.029 15.578 1.00 0.00 H new ATOM 0 HA SER A 31 -5.058 -0.410 14.392 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.970 -1.724 16.365 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.731 -2.546 15.438 1.00 0.00 H new ATOM 0 HG SER A 31 -4.283 -1.076 17.866 1.00 0.00 H new ATOM 460 N THR A 32 -6.357 1.210 15.802 1.00 0.00 N ATOM 461 CA THR A 32 -7.005 2.333 16.471 1.00 0.00 C ATOM 462 C THR A 32 -7.161 2.063 17.964 1.00 0.00 C ATOM 463 O THR A 32 -6.910 2.938 18.793 1.00 0.00 O ATOM 464 CB THR A 32 -8.374 2.605 15.845 1.00 0.00 C ATOM 465 OG1 THR A 32 -8.975 3.746 16.430 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.340 1.450 15.994 1.00 0.00 C ATOM 0 H THR A 32 -6.908 0.791 15.053 1.00 0.00 H new ATOM 0 HA THR A 32 -6.373 3.212 16.344 1.00 0.00 H new ATOM 0 HB THR A 32 -8.180 2.761 14.784 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.373 3.501 17.291 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.291 1.709 15.529 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.927 0.566 15.509 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.499 1.243 17.052 1.00 0.00 H new ATOM 474 N ASP A 33 -7.576 0.846 18.300 1.00 0.00 N ATOM 475 CA ASP A 33 -7.766 0.461 19.694 1.00 0.00 C ATOM 476 C ASP A 33 -7.613 -1.046 19.868 1.00 0.00 C ATOM 477 O ASP A 33 -8.246 -1.648 20.735 1.00 0.00 O ATOM 478 CB ASP A 33 -9.145 0.906 20.185 1.00 0.00 C ATOM 479 CG ASP A 33 -9.385 2.387 19.969 1.00 0.00 C ATOM 480 OD1 ASP A 33 -8.772 3.200 20.692 1.00 0.00 O ATOM 481 OD2 ASP A 33 -10.188 2.734 19.076 1.00 0.00 O ATOM 0 H ASP A 33 -7.787 0.110 17.626 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.999 0.957 20.289 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.914 0.336 19.664 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.242 0.676 21.246 1.00 0.00 H new ATOM 486 N GLY A 34 -6.769 -1.651 19.038 1.00 0.00 N ATOM 487 CA GLY A 34 -6.549 -3.083 19.117 1.00 0.00 C ATOM 488 C GLY A 34 -5.203 -3.430 19.721 1.00 0.00 C ATOM 489 O GLY A 34 -4.808 -2.866 20.741 1.00 0.00 O ATOM 0 H GLY A 34 -6.234 -1.175 18.312 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.340 -3.537 19.715 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.617 -3.514 18.118 1.00 0.00 H new ATOM 493 N ASP A 35 -4.496 -4.362 19.089 1.00 0.00 N ATOM 494 CA ASP A 35 -3.185 -4.785 19.570 1.00 0.00 C ATOM 495 C ASP A 35 -2.337 -5.332 18.428 1.00 0.00 C ATOM 496 O ASP A 35 -1.507 -6.220 18.627 1.00 0.00 O ATOM 497 CB ASP A 35 -3.337 -5.845 20.662 1.00 0.00 C ATOM 498 CG ASP A 35 -3.612 -5.239 22.024 1.00 0.00 C ATOM 499 OD1 ASP A 35 -4.781 -4.891 22.294 1.00 0.00 O ATOM 500 OD2 ASP A 35 -2.658 -5.111 22.820 1.00 0.00 O ATOM 0 H ASP A 35 -4.809 -4.838 18.243 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.680 -3.914 19.987 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.150 -6.521 20.397 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.428 -6.444 20.711 1.00 0.00 H new ATOM 505 N LYS A 36 -2.550 -4.798 17.230 1.00 0.00 N ATOM 506 CA LYS A 36 -1.805 -5.233 16.054 1.00 0.00 C ATOM 507 C LYS A 36 -1.221 -4.038 15.307 1.00 0.00 C ATOM 508 O LYS A 36 -1.955 -3.169 14.836 1.00 0.00 O ATOM 509 CB LYS A 36 -2.709 -6.041 15.121 1.00 0.00 C ATOM 510 CG LYS A 36 -3.296 -7.284 15.769 1.00 0.00 C ATOM 511 CD LYS A 36 -4.674 -7.604 15.212 1.00 0.00 C ATOM 512 CE LYS A 36 -4.958 -9.096 15.255 1.00 0.00 C ATOM 513 NZ LYS A 36 -6.382 -9.381 15.584 1.00 0.00 N ATOM 0 H LYS A 36 -3.233 -4.063 17.048 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.983 -5.866 16.389 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.522 -5.403 14.775 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.138 -6.336 14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.630 -8.131 15.604 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.363 -7.137 16.847 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.432 -7.071 15.786 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.744 -7.249 14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.712 -9.540 14.290 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.313 -9.567 15.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.535 -10.410 15.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.610 -8.979 16.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.997 -8.953 14.863 1.00 0.00 H new ATOM 527 N VAL A 37 0.103 -4.001 15.203 1.00 0.00 N ATOM 528 CA VAL A 37 0.785 -2.913 14.513 1.00 0.00 C ATOM 529 C VAL A 37 1.821 -3.450 13.530 1.00 0.00 C ATOM 530 O VAL A 37 2.718 -4.205 13.908 1.00 0.00 O ATOM 531 CB VAL A 37 1.476 -1.962 15.511 1.00 0.00 C ATOM 532 CG1 VAL A 37 2.545 -2.698 16.305 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.070 -0.764 14.785 1.00 0.00 C ATOM 0 H VAL A 37 0.725 -4.712 15.588 1.00 0.00 H new ATOM 0 HA VAL A 37 0.025 -2.358 13.964 1.00 0.00 H new ATOM 0 HB VAL A 37 0.725 -1.598 16.212 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.020 -2.008 17.003 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.087 -3.517 16.859 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.295 -3.097 15.622 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.553 -0.105 15.506 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.806 -1.107 14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.277 -0.221 14.271 1.00 0.00 H new ATOM 543 N HIS A 38 1.691 -3.057 12.267 1.00 0.00 N ATOM 544 CA HIS A 38 2.616 -3.499 11.229 1.00 0.00 C ATOM 545 C HIS A 38 3.255 -2.306 10.526 1.00 0.00 C ATOM 546 O HIS A 38 2.628 -1.259 10.363 1.00 0.00 O ATOM 547 CB HIS A 38 1.889 -4.377 10.209 1.00 0.00 C ATOM 548 CG HIS A 38 2.807 -5.062 9.246 1.00 0.00 C ATOM 549 ND1 HIS A 38 2.924 -6.434 9.163 1.00 0.00 N ATOM 550 CD2 HIS A 38 3.656 -4.558 8.319 1.00 0.00 C ATOM 551 CE1 HIS A 38 3.805 -6.743 8.228 1.00 0.00 C ATOM 552 NE2 HIS A 38 4.263 -5.623 7.701 1.00 0.00 N ATOM 0 H HIS A 38 0.954 -2.433 11.937 1.00 0.00 H new ATOM 0 HA HIS A 38 3.404 -4.083 11.704 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.306 -5.129 10.740 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.183 -3.762 9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.824 -3.513 8.106 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.100 -7.742 7.943 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.956 -5.559 6.955 1.00 0.00 H new ATOM 561 N THR A 39 4.507 -2.471 10.110 1.00 0.00 N ATOM 562 CA THR A 39 5.232 -1.408 9.424 1.00 0.00 C ATOM 563 C THR A 39 5.750 -1.887 8.072 1.00 0.00 C ATOM 564 O THR A 39 6.264 -2.999 7.952 1.00 0.00 O ATOM 565 CB THR A 39 6.398 -0.918 10.285 1.00 0.00 C ATOM 566 OG1 THR A 39 5.993 -0.759 11.633 1.00 0.00 O ATOM 567 CG2 THR A 39 6.973 0.402 9.819 1.00 0.00 C ATOM 0 H THR A 39 5.040 -3.331 10.236 1.00 0.00 H new ATOM 0 HA THR A 39 4.541 -0.582 9.256 1.00 0.00 H new ATOM 0 HB THR A 39 7.168 -1.684 10.192 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.752 -0.447 12.168 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.796 0.692 10.473 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.340 0.299 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.198 1.168 9.850 1.00 0.00 H new ATOM 575 N VAL A 40 5.610 -1.042 7.056 1.00 0.00 N ATOM 576 CA VAL A 40 6.064 -1.380 5.713 1.00 0.00 C ATOM 577 C VAL A 40 6.911 -0.259 5.120 1.00 0.00 C ATOM 578 O VAL A 40 6.553 0.916 5.206 1.00 0.00 O ATOM 579 CB VAL A 40 4.877 -1.661 4.772 1.00 0.00 C ATOM 580 CG1 VAL A 40 4.195 -2.967 5.148 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.887 -0.506 4.802 1.00 0.00 C ATOM 0 H VAL A 40 5.186 -0.118 7.138 1.00 0.00 H new ATOM 0 HA VAL A 40 6.669 -2.282 5.803 1.00 0.00 H new ATOM 0 HB VAL A 40 5.258 -1.757 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.359 -3.149 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.910 -3.786 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.827 -2.904 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.055 -0.722 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.511 -0.376 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.385 0.408 4.480 1.00 0.00 H new ATOM 591 N VAL A 41 8.035 -0.629 4.516 1.00 0.00 N ATOM 592 CA VAL A 41 8.932 0.346 3.907 1.00 0.00 C ATOM 593 C VAL A 41 8.349 0.885 2.604 1.00 0.00 C ATOM 594 O VAL A 41 7.836 0.128 1.782 1.00 0.00 O ATOM 595 CB VAL A 41 10.320 -0.265 3.628 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.211 -1.427 2.653 1.00 0.00 C ATOM 597 CG2 VAL A 41 11.276 0.796 3.101 1.00 0.00 C ATOM 0 H VAL A 41 8.347 -1.597 4.435 1.00 0.00 H new ATOM 0 HA VAL A 41 9.044 1.165 4.617 1.00 0.00 H new ATOM 0 HB VAL A 41 10.720 -0.648 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.202 -1.843 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.566 -2.197 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.787 -1.075 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.250 0.346 2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.881 1.213 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.382 1.590 3.840 1.00 0.00 H new ATOM 607 N LEU A 42 8.432 2.199 2.424 1.00 0.00 N ATOM 608 CA LEU A 42 7.911 2.840 1.222 1.00 0.00 C ATOM 609 C LEU A 42 8.894 2.709 0.062 1.00 0.00 C ATOM 610 O LEU A 42 8.496 2.710 -1.103 1.00 0.00 O ATOM 611 CB LEU A 42 7.616 4.316 1.493 1.00 0.00 C ATOM 612 CG LEU A 42 6.612 4.581 2.616 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.285 6.064 2.700 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.345 3.765 2.402 1.00 0.00 C ATOM 0 H LEU A 42 8.855 2.841 3.095 1.00 0.00 H new ATOM 0 HA LEU A 42 6.985 2.336 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.552 4.819 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.240 4.770 0.576 1.00 0.00 H new ATOM 0 HG LEU A 42 7.062 4.275 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.569 6.234 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.197 6.627 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.854 6.396 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.642 3.966 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.891 4.040 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.593 2.704 2.392 1.00 0.00 H new ATOM 626 N SER A 43 10.178 2.598 0.387 1.00 0.00 N ATOM 627 CA SER A 43 11.217 2.467 -0.629 1.00 0.00 C ATOM 628 C SER A 43 10.955 1.264 -1.531 1.00 0.00 C ATOM 629 O SER A 43 11.355 1.251 -2.695 1.00 0.00 O ATOM 630 CB SER A 43 12.590 2.335 0.031 1.00 0.00 C ATOM 631 OG SER A 43 12.588 2.897 1.332 1.00 0.00 O ATOM 0 H SER A 43 10.524 2.596 1.346 1.00 0.00 H new ATOM 0 HA SER A 43 11.201 3.366 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.870 1.283 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.341 2.833 -0.582 1.00 0.00 H new ATOM 0 HG SER A 43 13.338 2.532 1.847 1.00 0.00 H new ATOM 637 N THR A 44 10.284 0.254 -0.987 1.00 0.00 N ATOM 638 CA THR A 44 9.973 -0.952 -1.745 1.00 0.00 C ATOM 639 C THR A 44 8.863 -0.691 -2.760 1.00 0.00 C ATOM 640 O THR A 44 8.800 -1.340 -3.804 1.00 0.00 O ATOM 641 CB THR A 44 9.563 -2.084 -0.800 1.00 0.00 C ATOM 642 OG1 THR A 44 9.429 -3.304 -1.508 1.00 0.00 O ATOM 643 CG2 THR A 44 8.256 -1.825 -0.082 1.00 0.00 C ATOM 0 H THR A 44 9.945 0.247 -0.025 1.00 0.00 H new ATOM 0 HA THR A 44 10.871 -1.249 -2.287 1.00 0.00 H new ATOM 0 HB THR A 44 10.360 -2.141 -0.058 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.168 -4.016 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.026 -2.667 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.342 -0.917 0.514 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.457 -1.704 -0.813 1.00 0.00 H new ATOM 651 N ILE A 45 7.989 0.261 -2.447 1.00 0.00 N ATOM 652 CA ILE A 45 6.883 0.603 -3.334 1.00 0.00 C ATOM 653 C ILE A 45 7.392 1.014 -4.712 1.00 0.00 C ATOM 654 O ILE A 45 8.495 1.544 -4.846 1.00 0.00 O ATOM 655 CB ILE A 45 6.023 1.743 -2.753 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.568 1.397 -1.334 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.821 2.013 -3.647 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.805 0.094 -1.245 1.00 0.00 C ATOM 0 H ILE A 45 8.025 0.808 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 45 6.266 -0.291 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 45 6.630 2.647 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.441 1.342 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.939 2.203 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.225 2.821 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.164 2.300 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.212 1.112 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.514 -0.087 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.913 0.152 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.438 -0.723 -1.592 1.00 0.00 H new ATOM 670 N ASP A 46 6.579 0.765 -5.733 1.00 0.00 N ATOM 671 CA ASP A 46 6.944 1.107 -7.103 1.00 0.00 C ATOM 672 C ASP A 46 5.881 1.990 -7.748 1.00 0.00 C ATOM 673 O ASP A 46 6.194 3.023 -8.340 1.00 0.00 O ATOM 674 CB ASP A 46 7.138 -0.164 -7.932 1.00 0.00 C ATOM 675 CG ASP A 46 7.931 0.088 -9.199 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.870 1.220 -9.723 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.615 -0.847 -9.667 1.00 0.00 O ATOM 0 H ASP A 46 5.663 0.327 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 46 7.881 1.663 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.651 -0.913 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.163 -0.577 -8.193 1.00 0.00 H new ATOM 682 N LYS A 47 4.625 1.573 -7.634 1.00 0.00 N ATOM 683 CA LYS A 47 3.515 2.321 -8.209 1.00 0.00 C ATOM 684 C LYS A 47 2.414 2.531 -7.169 1.00 0.00 C ATOM 685 O LYS A 47 2.112 1.635 -6.381 1.00 0.00 O ATOM 686 CB LYS A 47 2.981 1.579 -9.447 1.00 0.00 C ATOM 687 CG LYS A 47 1.464 1.560 -9.580 1.00 0.00 C ATOM 688 CD LYS A 47 0.915 2.935 -9.927 1.00 0.00 C ATOM 689 CE LYS A 47 -0.140 2.855 -11.018 1.00 0.00 C ATOM 690 NZ LYS A 47 -0.829 4.159 -11.221 1.00 0.00 N ATOM 0 H LYS A 47 4.351 0.719 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 47 3.865 3.306 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.403 2.041 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.341 0.551 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.175 0.847 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.021 1.216 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.484 3.391 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.730 3.581 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.327 2.542 -11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.875 2.093 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.858 4.021 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.524 4.830 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.587 4.537 -12.159 1.00 0.00 H new ATOM 704 N LEU A 48 1.820 3.721 -7.174 1.00 0.00 N ATOM 705 CA LEU A 48 0.755 4.048 -6.233 1.00 0.00 C ATOM 706 C LEU A 48 -0.595 4.117 -6.941 1.00 0.00 C ATOM 707 O LEU A 48 -0.761 4.857 -7.911 1.00 0.00 O ATOM 708 CB LEU A 48 1.050 5.381 -5.540 1.00 0.00 C ATOM 709 CG LEU A 48 1.686 5.264 -4.154 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.634 6.426 -3.902 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.611 5.208 -3.079 1.00 0.00 C ATOM 0 H LEU A 48 2.058 4.474 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 48 0.711 3.258 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.712 5.966 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.119 5.940 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 48 2.261 4.339 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.077 6.326 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.423 6.422 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.083 7.364 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.081 5.125 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.010 6.117 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.029 4.342 -3.249 1.00 0.00 H new ATOM 723 N GLN A 49 -1.555 3.339 -6.452 1.00 0.00 N ATOM 724 CA GLN A 49 -2.890 3.312 -7.041 1.00 0.00 C ATOM 725 C GLN A 49 -3.954 3.640 -5.998 1.00 0.00 C ATOM 726 O GLN A 49 -3.732 3.480 -4.798 1.00 0.00 O ATOM 727 CB GLN A 49 -3.170 1.941 -7.658 1.00 0.00 C ATOM 728 CG GLN A 49 -4.255 1.962 -8.721 1.00 0.00 C ATOM 729 CD GLN A 49 -3.975 2.968 -9.821 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.971 2.869 -10.527 1.00 0.00 O ATOM 731 NE2 GLN A 49 -4.863 3.943 -9.971 1.00 0.00 N ATOM 0 H GLN A 49 -1.434 2.720 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.929 4.070 -7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.250 1.555 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.461 1.249 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.349 0.968 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.211 2.197 -8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.681 3.986 -9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.728 4.649 -10.694 1.00 0.00 H new ATOM 740 N ALA A 50 -5.110 4.099 -6.466 1.00 0.00 N ATOM 741 CA ALA A 50 -6.210 4.449 -5.577 1.00 0.00 C ATOM 742 C ALA A 50 -7.552 4.335 -6.293 1.00 0.00 C ATOM 743 O ALA A 50 -7.604 4.215 -7.517 1.00 0.00 O ATOM 744 CB ALA A 50 -6.020 5.856 -5.031 1.00 0.00 C ATOM 0 H ALA A 50 -5.309 4.237 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.210 3.745 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.849 6.104 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.084 5.907 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.991 6.566 -5.857 1.00 0.00 H new ATOM 750 N THR A 51 -8.634 4.372 -5.523 1.00 0.00 N ATOM 751 CA THR A 51 -9.976 4.272 -6.085 1.00 0.00 C ATOM 752 C THR A 51 -10.454 5.629 -6.596 1.00 0.00 C ATOM 753 O THR A 51 -10.001 6.673 -6.127 1.00 0.00 O ATOM 754 CB THR A 51 -10.954 3.736 -5.037 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.326 4.758 -4.128 1.00 0.00 O ATOM 756 CG2 THR A 51 -10.397 2.584 -4.228 1.00 0.00 C ATOM 0 H THR A 51 -8.608 4.470 -4.508 1.00 0.00 H new ATOM 0 HA THR A 51 -9.940 3.578 -6.925 1.00 0.00 H new ATOM 0 HB THR A 51 -11.813 3.378 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.165 4.512 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.142 2.254 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.147 1.759 -4.895 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.500 2.909 -3.702 1.00 0.00 H new ATOM 764 N PRO A 52 -11.381 5.632 -7.570 1.00 0.00 N ATOM 765 CA PRO A 52 -11.919 6.871 -8.143 1.00 0.00 C ATOM 766 C PRO A 52 -12.776 7.645 -7.147 1.00 0.00 C ATOM 767 O PRO A 52 -13.235 7.093 -6.147 1.00 0.00 O ATOM 768 CB PRO A 52 -12.773 6.382 -9.316 1.00 0.00 C ATOM 769 CG PRO A 52 -13.142 4.983 -8.961 1.00 0.00 C ATOM 770 CD PRO A 52 -11.977 4.432 -8.187 1.00 0.00 C ATOM 0 HA PRO A 52 -11.127 7.561 -8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.659 7.004 -9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.217 6.419 -10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.054 4.959 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.332 4.390 -9.856 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.298 3.711 -7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.268 3.920 -8.838 1.00 0.00 H new ATOM 778 N ALA A 53 -12.987 8.927 -7.427 1.00 0.00 N ATOM 779 CA ALA A 53 -13.788 9.778 -6.556 1.00 0.00 C ATOM 780 C ALA A 53 -15.279 9.531 -6.763 1.00 0.00 C ATOM 781 O ALA A 53 -16.082 9.721 -5.849 1.00 0.00 O ATOM 782 CB ALA A 53 -13.455 11.242 -6.799 1.00 0.00 C ATOM 0 H ALA A 53 -12.614 9.399 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.546 9.527 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.060 11.867 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.399 11.414 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.667 11.496 -7.838 1.00 0.00 H new ATOM 788 N SER A 54 -15.644 9.107 -7.969 1.00 0.00 N ATOM 789 CA SER A 54 -17.040 8.835 -8.293 1.00 0.00 C ATOM 790 C SER A 54 -17.563 7.646 -7.494 1.00 0.00 C ATOM 791 O SER A 54 -18.745 7.583 -7.158 1.00 0.00 O ATOM 792 CB SER A 54 -17.194 8.565 -9.791 1.00 0.00 C ATOM 793 OG SER A 54 -17.250 9.777 -10.524 1.00 0.00 O ATOM 0 H SER A 54 -14.993 8.944 -8.737 1.00 0.00 H new ATOM 0 HA SER A 54 -17.627 9.714 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.357 7.962 -10.143 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.101 7.987 -9.968 1.00 0.00 H new ATOM 0 HG SER A 54 -17.347 9.578 -11.479 1.00 0.00 H new ATOM 799 N SER A 55 -16.674 6.705 -7.193 1.00 0.00 N ATOM 800 CA SER A 55 -17.046 5.517 -6.433 1.00 0.00 C ATOM 801 C SER A 55 -17.160 5.837 -4.946 1.00 0.00 C ATOM 802 O SER A 55 -16.564 6.799 -4.460 1.00 0.00 O ATOM 803 CB SER A 55 -16.020 4.404 -6.650 1.00 0.00 C ATOM 804 OG SER A 55 -16.180 3.803 -7.923 1.00 0.00 O ATOM 0 H SER A 55 -15.691 6.742 -7.464 1.00 0.00 H new ATOM 0 HA SER A 55 -18.019 5.178 -6.789 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.013 4.811 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.128 3.649 -5.872 1.00 0.00 H new ATOM 0 HG SER A 55 -15.511 3.096 -8.037 1.00 0.00 H new ATOM 810 N GLU A 56 -17.928 5.024 -4.227 1.00 0.00 N ATOM 811 CA GLU A 56 -18.119 5.221 -2.795 1.00 0.00 C ATOM 812 C GLU A 56 -17.201 4.306 -1.991 1.00 0.00 C ATOM 813 O GLU A 56 -17.527 3.913 -0.871 1.00 0.00 O ATOM 814 CB GLU A 56 -19.578 4.962 -2.414 1.00 0.00 C ATOM 815 CG GLU A 56 -20.537 6.030 -2.913 1.00 0.00 C ATOM 816 CD GLU A 56 -21.984 5.705 -2.602 1.00 0.00 C ATOM 817 OE1 GLU A 56 -22.233 4.998 -1.603 1.00 0.00 O ATOM 818 OE2 GLU A 56 -22.870 6.157 -3.358 1.00 0.00 O ATOM 0 H GLU A 56 -18.428 4.223 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.867 6.255 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.883 3.996 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.655 4.895 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.278 6.987 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.418 6.145 -3.990 1.00 0.00 H new ATOM 825 N LYS A 57 -16.053 3.969 -2.570 1.00 0.00 N ATOM 826 CA LYS A 57 -15.088 3.100 -1.905 1.00 0.00 C ATOM 827 C LYS A 57 -13.690 3.707 -1.946 1.00 0.00 C ATOM 828 O LYS A 57 -12.856 3.316 -2.763 1.00 0.00 O ATOM 829 CB LYS A 57 -15.077 1.719 -2.563 1.00 0.00 C ATOM 830 CG LYS A 57 -16.465 1.161 -2.832 1.00 0.00 C ATOM 831 CD LYS A 57 -16.401 -0.271 -3.337 1.00 0.00 C ATOM 832 CE LYS A 57 -16.466 -0.330 -4.855 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.226 -1.517 -5.333 1.00 0.00 N ATOM 0 H LYS A 57 -15.768 4.284 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.388 2.996 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.530 1.779 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.534 1.025 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.057 1.199 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.973 1.785 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.478 -0.738 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.226 -0.844 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.935 0.578 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.455 -0.359 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.668 -2.020 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.414 -2.154 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.128 -1.208 -5.748 1.00 0.00 H new ATOM 847 N MET A 58 -13.439 4.664 -1.059 1.00 0.00 N ATOM 848 CA MET A 58 -12.141 5.324 -0.995 1.00 0.00 C ATOM 849 C MET A 58 -11.081 4.386 -0.427 1.00 0.00 C ATOM 850 O MET A 58 -11.135 4.010 0.744 1.00 0.00 O ATOM 851 CB MET A 58 -12.230 6.589 -0.140 1.00 0.00 C ATOM 852 CG MET A 58 -13.322 7.548 -0.584 1.00 0.00 C ATOM 853 SD MET A 58 -14.826 7.391 0.399 1.00 0.00 S ATOM 854 CE MET A 58 -14.260 8.003 1.984 1.00 0.00 C ATOM 0 H MET A 58 -14.117 4.999 -0.375 1.00 0.00 H new ATOM 0 HA MET A 58 -11.851 5.599 -2.009 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.407 6.305 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.271 7.105 -0.169 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.952 8.571 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.557 7.365 -1.632 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.119 8.204 2.624 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.622 7.256 2.456 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.694 8.923 1.838 1.00 0.00 H new ATOM 864 N MET A 59 -10.120 4.011 -1.265 1.00 0.00 N ATOM 865 CA MET A 59 -9.047 3.117 -0.847 1.00 0.00 C ATOM 866 C MET A 59 -7.767 3.401 -1.628 1.00 0.00 C ATOM 867 O MET A 59 -7.790 4.090 -2.647 1.00 0.00 O ATOM 868 CB MET A 59 -9.464 1.658 -1.043 1.00 0.00 C ATOM 869 CG MET A 59 -10.662 1.247 -0.203 1.00 0.00 C ATOM 870 SD MET A 59 -10.647 -0.506 0.219 1.00 0.00 S ATOM 871 CE MET A 59 -12.111 -1.075 -0.640 1.00 0.00 C ATOM 0 H MET A 59 -10.063 4.313 -2.238 1.00 0.00 H new ATOM 0 HA MET A 59 -8.853 3.293 0.211 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.696 1.494 -2.095 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.621 1.012 -0.798 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.678 1.837 0.713 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.578 1.478 -0.747 1.00 0.00 H new ATOM 0 HE1 MET A 59 -11.950 -2.091 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 59 -12.961 -1.061 0.042 1.00 0.00 H new ATOM 0 HE3 MET A 59 -12.314 -0.419 -1.486 1.00 0.00 H new ATOM 881 N LEU A 60 -6.653 2.864 -1.142 1.00 0.00 N ATOM 882 CA LEU A 60 -5.363 3.058 -1.794 1.00 0.00 C ATOM 883 C LEU A 60 -4.505 1.801 -1.681 1.00 0.00 C ATOM 884 O LEU A 60 -4.404 1.202 -0.612 1.00 0.00 O ATOM 885 CB LEU A 60 -4.630 4.252 -1.175 1.00 0.00 C ATOM 886 CG LEU A 60 -4.237 5.353 -2.162 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.276 6.463 -2.165 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.862 5.910 -1.822 1.00 0.00 C ATOM 0 H LEU A 60 -6.617 2.291 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.541 3.260 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.264 4.687 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.729 3.889 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.195 4.919 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.979 7.237 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.243 6.055 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.351 6.894 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.600 6.692 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.877 6.327 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.123 5.110 -1.872 1.00 0.00 H new ATOM 900 N ARG A 61 -3.886 1.408 -2.791 1.00 0.00 N ATOM 901 CA ARG A 61 -3.038 0.226 -2.813 1.00 0.00 C ATOM 902 C ARG A 61 -1.649 0.566 -3.339 1.00 0.00 C ATOM 903 O ARG A 61 -1.480 1.502 -4.122 1.00 0.00 O ATOM 904 CB ARG A 61 -3.672 -0.871 -3.673 1.00 0.00 C ATOM 905 CG ARG A 61 -3.744 -0.526 -5.152 1.00 0.00 C ATOM 906 CD ARG A 61 -3.786 -1.778 -6.013 1.00 0.00 C ATOM 907 NE ARG A 61 -3.741 -1.465 -7.439 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.047 -2.336 -8.399 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.421 -3.571 -8.089 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.979 -1.970 -9.672 1.00 0.00 N ATOM 0 H ARG A 61 -3.958 1.893 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.940 -0.140 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.100 -1.791 -3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.679 -1.071 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.631 0.079 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.880 0.079 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.945 -2.422 -5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.695 -2.338 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.459 -0.525 -7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.475 -3.857 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.654 -4.234 -8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.692 -1.022 -9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.213 -2.637 -10.408 1.00 0.00 H new ATOM 924 N LEU A 62 -0.659 -0.198 -2.900 1.00 0.00 N ATOM 925 CA LEU A 62 0.721 0.018 -3.319 1.00 0.00 C ATOM 926 C LEU A 62 1.240 -1.163 -4.131 1.00 0.00 C ATOM 927 O LEU A 62 0.923 -2.317 -3.840 1.00 0.00 O ATOM 928 CB LEU A 62 1.614 0.241 -2.098 1.00 0.00 C ATOM 929 CG LEU A 62 1.106 1.292 -1.112 1.00 0.00 C ATOM 930 CD1 LEU A 62 1.751 1.099 0.251 1.00 0.00 C ATOM 931 CD2 LEU A 62 1.380 2.691 -1.644 1.00 0.00 C ATOM 0 H LEU A 62 -0.785 -0.975 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 62 0.746 0.906 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.727 -0.706 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.606 0.535 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 62 0.029 1.172 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.378 1.856 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.506 0.108 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.833 1.194 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.013 3.430 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.453 2.824 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.871 2.823 -2.599 1.00 0.00 H new ATOM 943 N ILE A 63 2.042 -0.867 -5.148 1.00 0.00 N ATOM 944 CA ILE A 63 2.609 -1.904 -6.002 1.00 0.00 C ATOM 945 C ILE A 63 4.128 -1.945 -5.870 1.00 0.00 C ATOM 946 O ILE A 63 4.835 -1.139 -6.476 1.00 0.00 O ATOM 947 CB ILE A 63 2.242 -1.693 -7.486 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.865 -1.036 -7.618 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.271 -3.019 -8.229 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.257 -1.858 -7.023 1.00 0.00 C ATOM 0 H ILE A 63 2.314 0.083 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 63 2.183 -2.850 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 63 2.981 -1.026 -7.931 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.888 -0.061 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.655 -0.860 -8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.010 -2.856 -9.275 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.271 -3.449 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.553 -3.704 -7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.202 -1.331 -7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.307 -2.823 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.071 -2.013 -5.960 1.00 0.00 H new ATOM 962 N GLY A 64 4.624 -2.886 -5.074 1.00 0.00 N ATOM 963 CA GLY A 64 6.056 -3.011 -4.875 1.00 0.00 C ATOM 964 C GLY A 64 6.796 -3.325 -6.160 1.00 0.00 C ATOM 965 O GLY A 64 6.181 -3.643 -7.178 1.00 0.00 O ATOM 0 H GLY A 64 4.060 -3.565 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.443 -2.083 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.251 -3.798 -4.146 1.00 0.00 H new ATOM 969 N LYS A 65 8.122 -3.236 -6.113 1.00 0.00 N ATOM 970 CA LYS A 65 8.950 -3.513 -7.282 1.00 0.00 C ATOM 971 C LYS A 65 9.253 -5.004 -7.392 1.00 0.00 C ATOM 972 O LYS A 65 8.661 -5.822 -6.688 1.00 0.00 O ATOM 973 CB LYS A 65 10.256 -2.719 -7.208 1.00 0.00 C ATOM 974 CG LYS A 65 10.066 -1.272 -6.782 1.00 0.00 C ATOM 975 CD LYS A 65 11.372 -0.655 -6.307 1.00 0.00 C ATOM 976 CE LYS A 65 12.032 0.163 -7.405 1.00 0.00 C ATOM 977 NZ LYS A 65 13.020 1.133 -6.857 1.00 0.00 N ATOM 0 H LYS A 65 8.646 -2.974 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 65 8.397 -3.206 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.930 -3.210 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.740 -2.741 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.672 -0.694 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.326 -1.221 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.182 -0.019 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.051 -1.443 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.531 -0.506 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.268 0.701 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.448 1.671 -7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.540 1.788 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.763 0.618 -6.343 1.00 0.00 H new ATOM 991 N VAL A 66 10.180 -5.350 -8.280 1.00 0.00 N ATOM 992 CA VAL A 66 10.563 -6.742 -8.483 1.00 0.00 C ATOM 993 C VAL A 66 11.958 -7.013 -7.932 1.00 0.00 C ATOM 994 O VAL A 66 12.831 -6.146 -7.970 1.00 0.00 O ATOM 995 CB VAL A 66 10.530 -7.122 -9.975 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.102 -7.114 -10.498 1.00 0.00 C ATOM 997 CG2 VAL A 66 11.408 -6.181 -10.785 1.00 0.00 C ATOM 0 H VAL A 66 10.680 -4.685 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 66 9.837 -7.352 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 66 10.925 -8.132 -10.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.100 -7.385 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.505 -7.833 -9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.676 -6.118 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.372 -6.465 -11.837 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.046 -5.159 -10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.436 -6.244 -10.427 1.00 0.00 H new ATOM 1007 N ASP A 67 12.162 -8.223 -7.419 1.00 0.00 N ATOM 1008 CA ASP A 67 13.453 -8.608 -6.860 1.00 0.00 C ATOM 1009 C ASP A 67 13.893 -9.967 -7.395 1.00 0.00 C ATOM 1010 O ASP A 67 13.364 -11.004 -6.995 1.00 0.00 O ATOM 1011 CB ASP A 67 13.379 -8.648 -5.333 1.00 0.00 C ATOM 1012 CG ASP A 67 13.205 -7.270 -4.726 1.00 0.00 C ATOM 1013 OD1 ASP A 67 12.360 -6.501 -5.231 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.914 -6.960 -3.745 1.00 0.00 O ATOM 0 H ASP A 67 11.450 -8.953 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 67 14.189 -7.863 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.547 -9.283 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.288 -9.103 -4.940 1.00 0.00 H new ATOM 1019 N GLU A 68 14.865 -9.954 -8.302 1.00 0.00 N ATOM 1020 CA GLU A 68 15.377 -11.185 -8.892 1.00 0.00 C ATOM 1021 C GLU A 68 16.897 -11.250 -8.782 1.00 0.00 C ATOM 1022 O GLU A 68 17.612 -10.584 -9.531 1.00 0.00 O ATOM 1023 CB GLU A 68 14.955 -11.286 -10.359 1.00 0.00 C ATOM 1024 CG GLU A 68 15.153 -9.997 -11.139 1.00 0.00 C ATOM 1025 CD GLU A 68 15.687 -10.239 -12.538 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.546 -11.131 -12.699 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.245 -9.537 -13.471 1.00 0.00 O ATOM 0 H GLU A 68 15.314 -9.104 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 68 14.955 -12.026 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.525 -12.082 -10.838 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.904 -11.572 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.203 -9.466 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.844 -9.351 -10.597 1.00 0.00 H new ATOM 1034 N SER A 69 17.384 -12.057 -7.845 1.00 0.00 N ATOM 1035 CA SER A 69 18.819 -12.209 -7.638 1.00 0.00 C ATOM 1036 C SER A 69 19.116 -13.412 -6.749 1.00 0.00 C ATOM 1037 O SER A 69 19.566 -14.454 -7.227 1.00 0.00 O ATOM 1038 CB SER A 69 19.403 -10.941 -7.011 1.00 0.00 C ATOM 1039 OG SER A 69 20.704 -11.176 -6.501 1.00 0.00 O ATOM 0 H SER A 69 16.806 -12.616 -7.217 1.00 0.00 H new ATOM 0 HA SER A 69 19.285 -12.373 -8.610 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.439 -10.147 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.751 -10.595 -6.208 1.00 0.00 H new ATOM 0 HG SER A 69 21.055 -10.350 -6.108 1.00 0.00 H new ATOM 1045 N LYS A 70 18.861 -13.262 -5.453 1.00 0.00 N ATOM 1046 CA LYS A 70 19.101 -14.336 -4.497 1.00 0.00 C ATOM 1047 C LYS A 70 18.263 -15.565 -4.837 1.00 0.00 C ATOM 1048 O LYS A 70 18.751 -16.694 -4.789 1.00 0.00 O ATOM 1049 CB LYS A 70 18.780 -13.864 -3.078 1.00 0.00 C ATOM 1050 CG LYS A 70 19.529 -12.606 -2.671 1.00 0.00 C ATOM 1051 CD LYS A 70 20.764 -12.934 -1.846 1.00 0.00 C ATOM 1052 CE LYS A 70 21.529 -11.678 -1.465 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.681 -10.719 -0.706 1.00 0.00 N ATOM 0 H LYS A 70 18.488 -12.407 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 70 20.155 -14.610 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.708 -13.680 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.019 -14.662 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.823 -12.052 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.868 -11.958 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.468 -13.469 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.415 -13.600 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.396 -11.950 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.905 -11.195 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.283 -9.987 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.999 -10.272 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.168 -11.227 0.043 1.00 0.00 H new ATOM 1067 N LYS A 71 17.000 -15.335 -5.180 1.00 0.00 N ATOM 1068 CA LYS A 71 16.091 -16.422 -5.528 1.00 0.00 C ATOM 1069 C LYS A 71 15.847 -17.333 -4.329 1.00 0.00 C ATOM 1070 O LYS A 71 16.587 -17.293 -3.346 1.00 0.00 O ATOM 1071 CB LYS A 71 16.653 -17.234 -6.698 1.00 0.00 C ATOM 1072 CG LYS A 71 15.606 -17.617 -7.731 1.00 0.00 C ATOM 1073 CD LYS A 71 15.634 -16.678 -8.927 1.00 0.00 C ATOM 1074 CE LYS A 71 14.814 -17.225 -10.084 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.669 -17.888 -11.107 1.00 0.00 N ATOM 0 H LYS A 71 16.582 -14.406 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 71 15.139 -15.983 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.439 -16.657 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.118 -18.141 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.780 -18.640 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.617 -17.596 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.246 -15.702 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.664 -16.528 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.082 -17.939 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.256 -16.413 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.072 -18.247 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.351 -17.201 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.183 -18.680 -10.670 1.00 0.00 H new ATOM 1089 N ARG A 72 14.804 -18.152 -4.417 1.00 0.00 N ATOM 1090 CA ARG A 72 14.462 -19.073 -3.338 1.00 0.00 C ATOM 1091 C ARG A 72 13.255 -19.928 -3.716 1.00 0.00 C ATOM 1092 O ARG A 72 12.808 -19.917 -4.863 1.00 0.00 O ATOM 1093 CB ARG A 72 14.174 -18.297 -2.050 1.00 0.00 C ATOM 1094 CG ARG A 72 15.279 -18.411 -1.012 1.00 0.00 C ATOM 1095 CD ARG A 72 14.717 -18.426 0.400 1.00 0.00 C ATOM 1096 NE ARG A 72 15.557 -19.195 1.315 1.00 0.00 N ATOM 1097 CZ ARG A 72 15.751 -20.508 1.216 1.00 0.00 C ATOM 1098 NH1 ARG A 72 15.169 -21.201 0.245 1.00 0.00 N ATOM 1099 NH2 ARG A 72 16.531 -21.130 2.090 1.00 0.00 N ATOM 0 H ARG A 72 14.181 -18.197 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 72 15.313 -19.734 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.024 -17.246 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.242 -18.660 -1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.851 -19.322 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.970 -17.575 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.626 -17.403 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.713 -18.850 0.386 1.00 0.00 H new ATOM 0 HE ARG A 72 16.022 -18.697 2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.569 -20.727 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.322 -22.207 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.982 -20.602 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.680 -22.136 2.015 1.00 0.00 H new ATOM 1113 N LYS A 73 12.732 -20.667 -2.743 1.00 0.00 N ATOM 1114 CA LYS A 73 11.577 -21.528 -2.971 1.00 0.00 C ATOM 1115 C LYS A 73 10.749 -21.671 -1.699 1.00 0.00 C ATOM 1116 O LYS A 73 11.220 -22.207 -0.696 1.00 0.00 O ATOM 1117 CB LYS A 73 12.030 -22.906 -3.458 1.00 0.00 C ATOM 1118 CG LYS A 73 11.070 -23.547 -4.446 1.00 0.00 C ATOM 1119 CD LYS A 73 11.404 -25.012 -4.677 1.00 0.00 C ATOM 1120 CE LYS A 73 12.697 -25.171 -5.460 1.00 0.00 C ATOM 1121 NZ LYS A 73 13.892 -25.152 -4.571 1.00 0.00 N ATOM 0 H LYS A 73 13.090 -20.687 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 73 10.955 -21.067 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.011 -22.813 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.148 -23.566 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.050 -23.460 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.109 -23.010 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.493 -25.522 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.588 -25.491 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.672 -26.109 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.778 -24.369 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.470 -24.314 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.585 -25.117 -3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.456 -26.011 -4.729 1.00 0.00 H new ATOM 1135 N ASP A 74 9.511 -21.188 -1.748 1.00 0.00 N ATOM 1136 CA ASP A 74 8.615 -21.260 -0.599 1.00 0.00 C ATOM 1137 C ASP A 74 8.441 -22.701 -0.129 1.00 0.00 C ATOM 1138 O ASP A 74 8.898 -23.071 0.953 1.00 0.00 O ATOM 1139 CB ASP A 74 7.253 -20.659 -0.951 1.00 0.00 C ATOM 1140 CG ASP A 74 6.648 -19.883 0.203 1.00 0.00 C ATOM 1141 OD1 ASP A 74 6.269 -20.517 1.211 1.00 0.00 O ATOM 1142 OD2 ASP A 74 6.552 -18.642 0.099 1.00 0.00 O ATOM 0 H ASP A 74 9.106 -20.743 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 74 9.061 -20.685 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.362 -19.999 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.572 -21.457 -1.245 1.00 0.00 H new ATOM 1147 N ASN A 75 7.777 -23.511 -0.948 1.00 0.00 N ATOM 1148 CA ASN A 75 7.543 -24.911 -0.614 1.00 0.00 C ATOM 1149 C ASN A 75 8.356 -25.831 -1.520 1.00 0.00 C ATOM 1150 O ASN A 75 9.390 -26.362 -1.114 1.00 0.00 O ATOM 1151 CB ASN A 75 6.054 -25.243 -0.731 1.00 0.00 C ATOM 1152 CG ASN A 75 5.314 -25.053 0.578 1.00 0.00 C ATOM 1153 OD1 ASN A 75 4.366 -24.272 0.661 1.00 0.00 O ATOM 1154 ND2 ASN A 75 5.746 -25.767 1.611 1.00 0.00 N ATOM 0 H ASN A 75 7.392 -23.222 -1.847 1.00 0.00 H new ATOM 0 HA ASN A 75 7.863 -25.071 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.603 -24.610 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.940 -26.275 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.288 -25.680 2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.536 -26.403 1.497 1.00 0.00 H new ATOM 1161 N GLU A 76 7.883 -26.015 -2.748 1.00 0.00 N ATOM 1162 CA GLU A 76 8.567 -26.871 -3.711 1.00 0.00 C ATOM 1163 C GLU A 76 7.849 -26.859 -5.056 1.00 0.00 C ATOM 1164 O GLU A 76 6.655 -26.566 -5.132 1.00 0.00 O ATOM 1165 CB GLU A 76 8.654 -28.304 -3.180 1.00 0.00 C ATOM 1166 CG GLU A 76 9.858 -29.072 -3.700 1.00 0.00 C ATOM 1167 CD GLU A 76 10.503 -29.937 -2.635 1.00 0.00 C ATOM 1168 OE1 GLU A 76 11.036 -29.373 -1.656 1.00 0.00 O ATOM 1169 OE2 GLU A 76 10.475 -31.177 -2.779 1.00 0.00 O ATOM 0 H GLU A 76 7.029 -25.583 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 76 9.575 -26.481 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.693 -28.278 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.745 -28.840 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.550 -29.700 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.595 -28.367 -4.086 1.00 0.00 H new ATOM 1176 N GLY A 77 8.584 -27.179 -6.116 1.00 0.00 N ATOM 1177 CA GLY A 77 8.000 -27.198 -7.445 1.00 0.00 C ATOM 1178 C GLY A 77 7.684 -25.808 -7.961 1.00 0.00 C ATOM 1179 O GLY A 77 6.782 -25.634 -8.781 1.00 0.00 O ATOM 0 H GLY A 77 9.573 -27.425 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.687 -27.690 -8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.086 -27.792 -7.428 1.00 0.00 H new ATOM 1183 N ASN A 78 8.427 -24.816 -7.481 1.00 0.00 N ATOM 1184 CA ASN A 78 8.220 -23.435 -7.899 1.00 0.00 C ATOM 1185 C ASN A 78 9.244 -22.511 -7.248 1.00 0.00 C ATOM 1186 O ASN A 78 9.152 -22.205 -6.059 1.00 0.00 O ATOM 1187 CB ASN A 78 6.805 -22.977 -7.543 1.00 0.00 C ATOM 1188 CG ASN A 78 6.536 -23.035 -6.052 1.00 0.00 C ATOM 1189 OD1 ASN A 78 6.638 -24.093 -5.432 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.190 -21.893 -5.469 1.00 0.00 N ATOM 0 H ASN A 78 9.178 -24.943 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 78 8.348 -23.387 -8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.657 -21.957 -7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.081 -23.603 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.997 -21.870 -4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.118 -21.039 -6.022 1.00 0.00 H new ATOM 1197 N GLU A 79 10.220 -22.069 -8.036 1.00 0.00 N ATOM 1198 CA GLU A 79 11.261 -21.179 -7.536 1.00 0.00 C ATOM 1199 C GLU A 79 10.863 -19.718 -7.723 1.00 0.00 C ATOM 1200 O GLU A 79 11.622 -18.922 -8.277 1.00 0.00 O ATOM 1201 CB GLU A 79 12.585 -21.458 -8.252 1.00 0.00 C ATOM 1202 CG GLU A 79 12.958 -22.931 -8.289 1.00 0.00 C ATOM 1203 CD GLU A 79 13.526 -23.356 -9.629 1.00 0.00 C ATOM 1204 OE1 GLU A 79 12.748 -23.449 -10.601 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.750 -23.594 -9.706 1.00 0.00 O ATOM 0 H GLU A 79 10.311 -22.313 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 79 11.387 -21.367 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.523 -21.082 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.381 -20.903 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.689 -23.136 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.076 -23.531 -8.066 1.00 0.00 H new ATOM 1212 N VAL A 80 9.667 -19.372 -7.258 1.00 0.00 N ATOM 1213 CA VAL A 80 9.168 -18.008 -7.374 1.00 0.00 C ATOM 1214 C VAL A 80 9.834 -17.090 -6.354 1.00 0.00 C ATOM 1215 O VAL A 80 10.091 -17.489 -5.219 1.00 0.00 O ATOM 1216 CB VAL A 80 7.640 -17.950 -7.184 1.00 0.00 C ATOM 1217 CG1 VAL A 80 7.249 -18.491 -5.817 1.00 0.00 C ATOM 1218 CG2 VAL A 80 7.127 -16.530 -7.372 1.00 0.00 C ATOM 0 H VAL A 80 9.026 -20.018 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 80 9.413 -17.666 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 80 7.177 -18.580 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.166 -18.441 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.576 -19.527 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.724 -17.893 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.046 -16.512 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.597 -15.873 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.370 -16.186 -8.377 1.00 0.00 H new ATOM 1228 N VAL A 81 10.111 -15.860 -6.771 1.00 0.00 N ATOM 1229 CA VAL A 81 10.747 -14.883 -5.901 1.00 0.00 C ATOM 1230 C VAL A 81 10.426 -13.453 -6.347 1.00 0.00 C ATOM 1231 O VAL A 81 9.757 -12.712 -5.626 1.00 0.00 O ATOM 1232 CB VAL A 81 12.276 -15.103 -5.857 1.00 0.00 C ATOM 1233 CG1 VAL A 81 13.015 -13.832 -5.456 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.616 -16.241 -4.907 1.00 0.00 C ATOM 0 H VAL A 81 9.904 -15.517 -7.709 1.00 0.00 H new ATOM 0 HA VAL A 81 10.347 -15.022 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 81 12.604 -15.370 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.087 -14.026 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.802 -13.044 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.685 -13.516 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.696 -16.386 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.262 -15.997 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.134 -17.157 -5.249 1.00 0.00 H new ATOM 1244 N PRO A 82 10.895 -13.038 -7.541 1.00 0.00 N ATOM 1245 CA PRO A 82 10.642 -11.687 -8.058 1.00 0.00 C ATOM 1246 C PRO A 82 9.178 -11.471 -8.428 1.00 0.00 C ATOM 1247 O PRO A 82 8.849 -11.227 -9.589 1.00 0.00 O ATOM 1248 CB PRO A 82 11.524 -11.614 -9.307 1.00 0.00 C ATOM 1249 CG PRO A 82 11.671 -13.029 -9.742 1.00 0.00 C ATOM 1250 CD PRO A 82 11.705 -13.840 -8.478 1.00 0.00 C ATOM 0 HA PRO A 82 10.864 -10.920 -7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.062 -11.006 -10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.492 -11.165 -9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.840 -13.331 -10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.584 -13.168 -10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.283 -14.834 -8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.723 -13.977 -8.115 1.00 0.00 H new ATOM 1258 N LYS A 83 8.302 -11.560 -7.433 1.00 0.00 N ATOM 1259 CA LYS A 83 6.873 -11.373 -7.655 1.00 0.00 C ATOM 1260 C LYS A 83 6.459 -9.936 -7.344 1.00 0.00 C ATOM 1261 O LYS A 83 6.980 -9.320 -6.414 1.00 0.00 O ATOM 1262 CB LYS A 83 6.068 -12.347 -6.792 1.00 0.00 C ATOM 1263 CG LYS A 83 6.230 -12.113 -5.299 1.00 0.00 C ATOM 1264 CD LYS A 83 7.080 -13.195 -4.652 1.00 0.00 C ATOM 1265 CE LYS A 83 7.940 -12.632 -3.532 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.811 -13.675 -2.922 1.00 0.00 N ATOM 0 H LYS A 83 8.556 -11.760 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 83 6.664 -11.574 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.013 -12.263 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.374 -13.366 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.690 -11.139 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.249 -12.089 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.434 -13.979 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.718 -13.657 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.559 -11.824 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.298 -12.200 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.869 -13.522 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.409 -14.616 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.764 -13.617 -3.335 1.00 0.00 H new ATOM 1280 N PRO A 84 5.512 -9.380 -8.121 1.00 0.00 N ATOM 1281 CA PRO A 84 5.033 -8.009 -7.920 1.00 0.00 C ATOM 1282 C PRO A 84 4.140 -7.881 -6.690 1.00 0.00 C ATOM 1283 O PRO A 84 3.091 -8.519 -6.604 1.00 0.00 O ATOM 1284 CB PRO A 84 4.234 -7.727 -9.192 1.00 0.00 C ATOM 1285 CG PRO A 84 3.758 -9.065 -9.641 1.00 0.00 C ATOM 1286 CD PRO A 84 4.835 -10.042 -9.253 1.00 0.00 C ATOM 0 HA PRO A 84 5.852 -7.310 -7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.399 -7.055 -8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.854 -7.251 -9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.810 -9.321 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.590 -9.078 -10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.417 -11.005 -8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.523 -10.229 -10.078 1.00 0.00 H new ATOM 1294 N GLN A 85 4.564 -7.052 -5.742 1.00 0.00 N ATOM 1295 CA GLN A 85 3.801 -6.840 -4.517 1.00 0.00 C ATOM 1296 C GLN A 85 2.581 -5.964 -4.782 1.00 0.00 C ATOM 1297 O GLN A 85 2.619 -5.069 -5.626 1.00 0.00 O ATOM 1298 CB GLN A 85 4.684 -6.196 -3.446 1.00 0.00 C ATOM 1299 CG GLN A 85 5.359 -7.202 -2.529 1.00 0.00 C ATOM 1300 CD GLN A 85 6.547 -6.614 -1.793 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.534 -6.207 -2.407 1.00 0.00 O ATOM 1302 NE2 GLN A 85 6.458 -6.566 -0.468 1.00 0.00 N ATOM 0 H GLN A 85 5.430 -6.517 -5.798 1.00 0.00 H new ATOM 0 HA GLN A 85 3.458 -7.811 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.449 -5.591 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.077 -5.519 -2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.634 -7.571 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.688 -8.060 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.621 -6.914 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.226 -6.181 0.081 1.00 0.00 H new ATOM 1311 N ARG A 86 1.499 -6.229 -4.057 1.00 0.00 N ATOM 1312 CA ARG A 86 0.267 -5.466 -4.215 1.00 0.00 C ATOM 1313 C ARG A 86 -0.523 -5.431 -2.911 1.00 0.00 C ATOM 1314 O ARG A 86 -1.291 -6.346 -2.615 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.591 -6.071 -5.327 1.00 0.00 C ATOM 1316 CG ARG A 86 -1.399 -5.043 -6.101 1.00 0.00 C ATOM 1317 CD ARG A 86 -1.758 -5.547 -7.489 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.831 -5.057 -8.507 1.00 0.00 N ATOM 1319 CZ ARG A 86 -0.987 -5.264 -9.812 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -2.029 -5.951 -10.263 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -0.098 -4.782 -10.670 1.00 0.00 N ATOM 0 H ARG A 86 1.451 -6.967 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 86 0.534 -4.444 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.055 -6.610 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.272 -6.803 -4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.310 -4.806 -5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.828 -4.118 -6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.755 -6.637 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.771 -5.231 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.017 -4.525 -8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.716 -6.324 -9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.143 -6.106 -11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.705 -4.253 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.217 -4.940 -11.671 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.330 -4.370 -2.133 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.027 -4.220 -0.860 1.00 0.00 C ATOM 1337 C HIS A 87 -2.086 -3.126 -0.946 1.00 0.00 C ATOM 1338 O HIS A 87 -1.768 -1.956 -1.156 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.031 -3.896 0.255 1.00 0.00 C ATOM 1340 CG HIS A 87 0.919 -5.015 0.552 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.518 -6.328 0.683 1.00 0.00 N ATOM 1342 CD2 HIS A 87 2.260 -5.011 0.743 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.571 -7.083 0.943 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.639 -6.309 0.983 1.00 0.00 N ATOM 0 H HIS A 87 0.302 -3.603 -2.361 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.523 -5.163 -0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.540 -3.010 -0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.582 -3.647 1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.909 -4.149 0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.559 -8.152 1.097 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.592 -6.624 1.163 1.00 0.00 H new ATOM 1353 N MET A 88 -3.346 -3.514 -0.780 1.00 0.00 N ATOM 1354 CA MET A 88 -4.451 -2.565 -0.838 1.00 0.00 C ATOM 1355 C MET A 88 -4.896 -2.161 0.565 1.00 0.00 C ATOM 1356 O MET A 88 -5.041 -3.005 1.449 1.00 0.00 O ATOM 1357 CB MET A 88 -5.629 -3.163 -1.611 1.00 0.00 C ATOM 1358 CG MET A 88 -6.278 -4.350 -0.915 1.00 0.00 C ATOM 1359 SD MET A 88 -7.565 -3.855 0.247 1.00 0.00 S ATOM 1360 CE MET A 88 -9.040 -4.226 -0.699 1.00 0.00 C ATOM 0 H MET A 88 -3.627 -4.479 -0.604 1.00 0.00 H new ATOM 0 HA MET A 88 -4.103 -1.673 -1.359 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.381 -2.389 -1.766 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.284 -3.475 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.707 -5.016 -1.664 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.514 -4.918 -0.384 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.697 -3.356 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.762 -4.477 -1.723 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.560 -5.070 -0.246 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.109 -0.864 0.760 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.537 -0.343 2.053 1.00 0.00 C ATOM 1372 C PHE A 89 -6.882 0.365 1.935 1.00 0.00 C ATOM 1373 O PHE A 89 -7.174 0.996 0.919 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.488 0.621 2.610 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.196 -0.048 2.989 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.189 -0.220 2.052 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -2.990 -0.504 4.281 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.000 -0.834 2.398 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.803 -1.119 4.632 1.00 0.00 C ATOM 1380 CZ PHE A 89 -0.807 -1.284 3.689 1.00 0.00 C ATOM 0 H PHE A 89 -4.992 -0.153 0.038 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.648 -1.184 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.284 1.392 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.898 1.124 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.335 0.130 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.765 -0.378 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.223 -0.962 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.654 -1.470 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.121 -1.764 3.961 1.00 0.00 H new ATOM 1390 N SER A 90 -7.697 0.257 2.979 1.00 0.00 N ATOM 1391 CA SER A 90 -9.012 0.889 2.989 1.00 0.00 C ATOM 1392 C SER A 90 -8.956 2.254 3.667 1.00 0.00 C ATOM 1393 O SER A 90 -8.221 2.447 4.636 1.00 0.00 O ATOM 1394 CB SER A 90 -10.027 -0.007 3.701 1.00 0.00 C ATOM 1395 OG SER A 90 -9.569 -1.347 3.766 1.00 0.00 O ATOM 0 H SER A 90 -7.471 -0.261 3.828 1.00 0.00 H new ATOM 0 HA SER A 90 -9.326 1.031 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.205 0.369 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.981 0.029 3.175 1.00 0.00 H new ATOM 0 HG SER A 90 -8.894 -1.428 4.472 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.736 3.198 3.150 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.777 4.546 3.705 1.00 0.00 C ATOM 1403 C PHE A 91 -11.212 4.972 3.994 1.00 0.00 C ATOM 1404 O PHE A 91 -12.162 4.290 3.611 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.123 5.536 2.739 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.649 5.712 2.966 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.768 4.672 2.717 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.145 6.917 3.428 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.411 4.831 2.925 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.789 7.082 3.638 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.921 6.037 3.386 1.00 0.00 C ATOM 0 H PHE A 91 -10.348 3.054 2.347 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.223 4.544 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.287 5.195 1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.615 6.504 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.146 3.727 2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.820 7.737 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.734 4.013 2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.408 8.026 3.999 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.861 6.163 3.549 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.362 6.105 4.674 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.682 6.623 5.014 1.00 0.00 C ATOM 1423 C ASN A 92 -12.710 8.145 4.926 1.00 0.00 C ATOM 1424 O ASN A 92 -13.450 8.806 5.655 1.00 0.00 O ATOM 1425 CB ASN A 92 -13.080 6.175 6.422 1.00 0.00 C ATOM 1426 CG ASN A 92 -13.516 4.724 6.466 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -12.812 3.837 5.983 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.683 4.474 7.047 1.00 0.00 N ATOM 0 H ASN A 92 -10.586 6.681 5.000 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.398 6.223 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.237 6.319 7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.891 6.806 6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.028 3.516 7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.234 5.240 7.434 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.900 8.696 4.028 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.833 10.142 3.844 1.00 0.00 C ATOM 1437 C ASN A 93 -11.091 10.494 2.559 1.00 0.00 C ATOM 1438 O ASN A 93 -10.105 9.849 2.203 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.142 10.797 5.041 1.00 0.00 C ATOM 1440 CG ASN A 93 -12.123 11.204 6.123 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -13.292 11.473 5.848 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.650 11.252 7.363 1.00 0.00 N ATOM 0 H ASN A 93 -11.281 8.164 3.416 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.852 10.521 3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.411 10.105 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.592 11.676 4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.263 11.520 8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.674 11.021 7.546 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.572 11.522 1.867 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.954 11.960 0.620 1.00 0.00 C ATOM 1451 C ARG A 94 -9.747 12.851 0.896 1.00 0.00 C ATOM 1452 O ARG A 94 -8.667 12.638 0.345 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.971 12.711 -0.241 1.00 0.00 C ATOM 1454 CG ARG A 94 -13.314 12.007 -0.350 1.00 0.00 C ATOM 1455 CD ARG A 94 -13.930 12.187 -1.729 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.092 13.072 -1.699 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.013 14.400 -1.676 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.830 15.002 -1.680 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.120 15.129 -1.648 1.00 0.00 N ATOM 0 H ARG A 94 -12.387 12.067 2.148 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.615 11.076 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.125 13.706 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.559 12.846 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.186 10.944 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.994 12.399 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.182 12.594 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.225 11.215 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.019 12.647 -1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.975 14.446 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.776 16.020 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.032 14.672 -1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.060 16.147 -1.630 1.00 0.00 H new ATOM 1473 N THR A 95 -9.939 13.850 1.751 1.00 0.00 N ATOM 1474 CA THR A 95 -8.866 14.774 2.100 1.00 0.00 C ATOM 1475 C THR A 95 -7.692 14.032 2.730 1.00 0.00 C ATOM 1476 O THR A 95 -6.536 14.416 2.556 1.00 0.00 O ATOM 1477 CB THR A 95 -9.381 15.847 3.060 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.489 16.530 2.502 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.336 16.882 3.417 1.00 0.00 C ATOM 0 H THR A 95 -10.827 14.040 2.215 1.00 0.00 H new ATOM 0 HA THR A 95 -8.520 15.252 1.184 1.00 0.00 H new ATOM 0 HB THR A 95 -9.663 15.311 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.805 17.211 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.767 17.613 4.101 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.488 16.393 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.999 17.386 2.511 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.997 12.966 3.463 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.968 12.169 4.119 1.00 0.00 C ATOM 1489 C VAL A 96 -6.308 11.208 3.137 1.00 0.00 C ATOM 1490 O VAL A 96 -5.092 11.021 3.158 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.547 11.363 5.297 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.432 10.704 6.094 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.396 12.255 6.190 1.00 0.00 C ATOM 0 H VAL A 96 -8.949 12.634 3.617 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.222 12.867 4.498 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.187 10.578 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.861 10.139 6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.872 10.030 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.763 11.470 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.796 11.667 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.782 13.065 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.219 12.673 5.610 1.00 0.00 H new ATOM 1503 N MET A 97 -7.119 10.601 2.277 1.00 0.00 N ATOM 1504 CA MET A 97 -6.615 9.657 1.286 1.00 0.00 C ATOM 1505 C MET A 97 -5.633 10.336 0.337 1.00 0.00 C ATOM 1506 O MET A 97 -4.709 9.702 -0.173 1.00 0.00 O ATOM 1507 CB MET A 97 -7.775 9.054 0.492 1.00 0.00 C ATOM 1508 CG MET A 97 -7.346 7.972 -0.486 1.00 0.00 C ATOM 1509 SD MET A 97 -8.735 7.269 -1.396 1.00 0.00 S ATOM 1510 CE MET A 97 -8.594 8.140 -2.954 1.00 0.00 C ATOM 0 H MET A 97 -8.128 10.746 2.246 1.00 0.00 H new ATOM 0 HA MET A 97 -6.090 8.860 1.813 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.502 8.635 1.188 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.280 9.849 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.628 8.389 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.834 7.178 0.058 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.268 7.692 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.859 9.187 -2.811 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.569 8.072 -3.317 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.839 11.628 0.102 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.971 12.391 -0.787 1.00 0.00 C ATOM 1522 C ASP A 98 -3.637 12.701 -0.114 1.00 0.00 C ATOM 1523 O ASP A 98 -2.586 12.664 -0.753 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.656 13.692 -1.209 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.350 14.068 -2.645 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.629 13.248 -3.546 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.830 15.181 -2.870 1.00 0.00 O ATOM 0 H ASP A 98 -6.599 12.168 0.515 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.778 11.785 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.734 13.588 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.336 14.498 -0.549 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.688 13.006 1.178 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.483 13.322 1.937 1.00 0.00 C ATOM 1534 C ASN A 99 -1.520 12.139 1.950 1.00 0.00 C ATOM 1535 O ASN A 99 -0.309 12.310 1.810 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.846 13.715 3.370 1.00 0.00 C ATOM 1537 CG ASN A 99 -1.892 14.742 3.947 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -1.251 14.505 4.971 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -1.793 15.893 3.291 1.00 0.00 N ATOM 0 H ASN A 99 -4.550 13.041 1.722 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.989 14.163 1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.860 14.114 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.842 12.825 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.167 16.622 3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.343 16.047 2.446 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.067 10.940 2.119 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.256 9.728 2.151 1.00 0.00 C ATOM 1548 C ILE A 100 -0.664 9.427 0.778 1.00 0.00 C ATOM 1549 O ILE A 100 0.547 9.251 0.638 1.00 0.00 O ATOM 1550 CB ILE A 100 -2.080 8.513 2.622 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.788 8.830 3.941 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -1.186 7.291 2.776 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.838 9.075 5.093 1.00 0.00 C ATOM 0 H ILE A 100 -3.068 10.781 2.236 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.448 9.906 2.861 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.836 8.293 1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.416 9.711 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.450 8.003 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.784 6.443 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.724 7.055 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.409 7.499 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.409 9.294 5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.227 8.187 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.192 9.921 4.858 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.525 9.368 -0.233 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.088 9.086 -1.596 1.00 0.00 C ATOM 1567 C LYS A 101 -0.051 10.104 -2.060 1.00 0.00 C ATOM 1568 O LYS A 101 0.999 9.739 -2.589 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.285 9.091 -2.548 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.923 8.738 -3.982 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.751 9.533 -4.978 1.00 0.00 C ATOM 1572 CE LYS A 101 -4.046 8.816 -5.324 1.00 0.00 C ATOM 1573 NZ LYS A 101 -5.151 9.772 -5.613 1.00 0.00 N ATOM 0 H LYS A 101 -2.530 9.512 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.628 8.098 -1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.030 8.383 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.748 10.078 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.864 8.934 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.080 7.672 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.977 10.515 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.171 9.697 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.885 8.174 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.334 8.168 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.016 9.243 -5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.322 10.367 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.887 10.374 -6.419 1.00 0.00 H new ATOM 1587 N MET A 102 -0.352 11.383 -1.859 1.00 0.00 N ATOM 1588 CA MET A 102 0.554 12.453 -2.258 1.00 0.00 C ATOM 1589 C MET A 102 1.896 12.327 -1.543 1.00 0.00 C ATOM 1590 O MET A 102 2.953 12.470 -2.156 1.00 0.00 O ATOM 1591 CB MET A 102 -0.071 13.817 -1.958 1.00 0.00 C ATOM 1592 CG MET A 102 0.802 14.991 -2.372 1.00 0.00 C ATOM 1593 SD MET A 102 -0.156 16.373 -3.023 1.00 0.00 S ATOM 1594 CE MET A 102 -1.092 16.849 -1.571 1.00 0.00 C ATOM 0 H MET A 102 -1.216 11.703 -1.422 1.00 0.00 H new ATOM 0 HA MET A 102 0.726 12.367 -3.331 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.030 13.889 -2.472 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.276 13.886 -0.890 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.382 15.328 -1.513 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.515 14.660 -3.127 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.695 17.728 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.745 16.028 -1.274 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.406 17.081 -0.756 1.00 0.00 H new ATOM 1604 N THR A 103 1.844 12.059 -0.242 1.00 0.00 N ATOM 1605 CA THR A 103 3.055 11.914 0.558 1.00 0.00 C ATOM 1606 C THR A 103 3.800 10.632 0.197 1.00 0.00 C ATOM 1607 O THR A 103 5.018 10.547 0.351 1.00 0.00 O ATOM 1608 CB THR A 103 2.710 11.913 2.047 1.00 0.00 C ATOM 1609 OG1 THR A 103 1.990 13.083 2.395 1.00 0.00 O ATOM 1610 CG2 THR A 103 3.927 11.840 2.944 1.00 0.00 C ATOM 0 H THR A 103 0.976 11.938 0.281 1.00 0.00 H new ATOM 0 HA THR A 103 3.705 12.762 0.342 1.00 0.00 H new ATOM 0 HB THR A 103 2.109 11.017 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.067 12.844 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.611 11.843 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.479 10.924 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.569 12.701 2.757 1.00 0.00 H new ATOM 1618 N LEU A 104 3.062 9.635 -0.282 1.00 0.00 N ATOM 1619 CA LEU A 104 3.656 8.358 -0.661 1.00 0.00 C ATOM 1620 C LEU A 104 4.206 8.413 -2.084 1.00 0.00 C ATOM 1621 O LEU A 104 5.171 7.723 -2.413 1.00 0.00 O ATOM 1622 CB LEU A 104 2.622 7.236 -0.541 1.00 0.00 C ATOM 1623 CG LEU A 104 2.765 6.355 0.702 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.398 5.956 1.236 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.597 5.121 0.385 1.00 0.00 C ATOM 0 H LEU A 104 2.052 9.687 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 104 4.483 8.154 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.626 7.679 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.690 6.603 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 104 3.279 6.929 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.521 5.330 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.835 6.851 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.856 5.400 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.689 4.505 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.110 4.546 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.589 5.427 0.051 1.00 0.00 H new ATOM 1637 N GLN A 105 3.584 9.234 -2.924 1.00 0.00 N ATOM 1638 CA GLN A 105 4.011 9.374 -4.312 1.00 0.00 C ATOM 1639 C GLN A 105 5.259 10.246 -4.417 1.00 0.00 C ATOM 1640 O GLN A 105 6.073 10.074 -5.324 1.00 0.00 O ATOM 1641 CB GLN A 105 2.884 9.973 -5.155 1.00 0.00 C ATOM 1642 CG GLN A 105 1.962 8.931 -5.767 1.00 0.00 C ATOM 1643 CD GLN A 105 1.101 9.496 -6.880 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -0.126 9.420 -6.830 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.743 10.066 -7.893 1.00 0.00 N ATOM 0 H GLN A 105 2.783 9.812 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 105 4.253 8.381 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.295 10.647 -4.533 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.319 10.575 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.559 8.107 -6.157 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.319 8.518 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.762 10.107 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.217 10.463 -8.671 1.00 0.00 H new ATOM 1654 N GLN A 106 5.402 11.184 -3.486 1.00 0.00 N ATOM 1655 CA GLN A 106 6.550 12.083 -3.478 1.00 0.00 C ATOM 1656 C GLN A 106 7.827 11.340 -3.095 1.00 0.00 C ATOM 1657 O GLN A 106 8.921 11.703 -3.528 1.00 0.00 O ATOM 1658 CB GLN A 106 6.311 13.243 -2.510 1.00 0.00 C ATOM 1659 CG GLN A 106 6.199 12.811 -1.057 1.00 0.00 C ATOM 1660 CD GLN A 106 6.410 13.960 -0.090 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.256 13.889 0.802 1.00 0.00 O ATOM 1662 NE2 GLN A 106 5.638 15.027 -0.261 1.00 0.00 N ATOM 0 H GLN A 106 4.738 11.341 -2.728 1.00 0.00 H new ATOM 0 HA GLN A 106 6.673 12.479 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.128 13.959 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.397 13.762 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.215 12.373 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.934 12.032 -0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.950 15.043 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.733 15.830 0.360 1.00 0.00 H new ATOM 1671 N ILE A 107 7.682 10.300 -2.281 1.00 0.00 N ATOM 1672 CA ILE A 107 8.826 9.509 -1.841 1.00 0.00 C ATOM 1673 C ILE A 107 9.305 8.573 -2.946 1.00 0.00 C ATOM 1674 O ILE A 107 10.496 8.277 -3.049 1.00 0.00 O ATOM 1675 CB ILE A 107 8.488 8.678 -0.588 1.00 0.00 C ATOM 1676 CG1 ILE A 107 7.859 9.566 0.486 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.737 7.995 -0.051 1.00 0.00 C ATOM 1678 CD1 ILE A 107 7.036 8.800 1.499 1.00 0.00 C ATOM 0 H ILE A 107 6.784 9.985 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 107 9.621 10.213 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 107 7.767 7.909 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.649 10.107 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.226 10.311 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.481 7.412 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.147 7.334 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.479 8.749 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.621 9.494 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.224 8.280 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.669 8.073 2.008 1.00 0.00 H new ATOM 1690 N ILE A 108 8.372 8.109 -3.770 1.00 0.00 N ATOM 1691 CA ILE A 108 8.702 7.207 -4.866 1.00 0.00 C ATOM 1692 C ILE A 108 9.209 7.980 -6.079 1.00 0.00 C ATOM 1693 O ILE A 108 10.034 7.483 -6.845 1.00 0.00 O ATOM 1694 CB ILE A 108 7.485 6.357 -5.283 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.855 5.695 -4.056 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.894 5.308 -6.306 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.470 5.142 -4.313 1.00 0.00 C ATOM 0 H ILE A 108 7.382 8.343 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 108 9.489 6.545 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 108 6.744 7.012 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.503 4.887 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.802 6.423 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.023 4.717 -6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.301 5.800 -7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.651 4.654 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.085 4.687 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.808 5.950 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 108 5.519 4.390 -5.100 1.00 0.00 H new ATOM 1709 N SER A 109 8.709 9.201 -6.246 1.00 0.00 N ATOM 1710 CA SER A 109 9.112 10.044 -7.365 1.00 0.00 C ATOM 1711 C SER A 109 10.532 10.567 -7.170 1.00 0.00 C ATOM 1712 O SER A 109 11.260 10.790 -8.137 1.00 0.00 O ATOM 1713 CB SER A 109 8.142 11.217 -7.522 1.00 0.00 C ATOM 1714 OG SER A 109 8.304 12.157 -6.474 1.00 0.00 O ATOM 0 H SER A 109 8.025 9.628 -5.621 1.00 0.00 H new ATOM 0 HA SER A 109 9.089 9.437 -8.270 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.310 11.705 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.117 10.847 -7.527 1.00 0.00 H new ATOM 0 HG SER A 109 8.512 11.685 -5.641 1.00 0.00 H new ATOM 1720 N ARG A 110 10.919 10.760 -5.913 1.00 0.00 N ATOM 1721 CA ARG A 110 12.252 11.257 -5.591 1.00 0.00 C ATOM 1722 C ARG A 110 13.319 10.221 -5.933 1.00 0.00 C ATOM 1723 O ARG A 110 14.465 10.568 -6.218 1.00 0.00 O ATOM 1724 CB ARG A 110 12.338 11.628 -4.109 1.00 0.00 C ATOM 1725 CG ARG A 110 12.182 10.442 -3.171 1.00 0.00 C ATOM 1726 CD ARG A 110 13.100 10.560 -1.965 1.00 0.00 C ATOM 1727 NE ARG A 110 14.508 10.610 -2.352 1.00 0.00 N ATOM 1728 CZ ARG A 110 15.495 10.927 -1.517 1.00 0.00 C ATOM 1729 NH1 ARG A 110 15.233 11.221 -0.249 1.00 0.00 N ATOM 1730 NH2 ARG A 110 16.748 10.949 -1.950 1.00 0.00 N ATOM 0 H ARG A 110 10.329 10.580 -5.101 1.00 0.00 H new ATOM 0 HA ARG A 110 12.434 12.148 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.299 12.106 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.566 12.363 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.147 10.375 -2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.403 9.520 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 110 12.846 11.459 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.937 9.712 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 110 14.749 10.389 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 110 14.271 11.205 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 110 15.994 11.463 0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.955 10.723 -2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.504 11.192 -1.310 1.00 0.00 H new ATOM 1744 N TYR A 111 12.936 8.948 -5.903 1.00 0.00 N ATOM 1745 CA TYR A 111 13.862 7.863 -6.210 1.00 0.00 C ATOM 1746 C TYR A 111 13.675 7.361 -7.641 1.00 0.00 C ATOM 1747 O TYR A 111 14.218 6.322 -8.017 1.00 0.00 O ATOM 1748 CB TYR A 111 13.666 6.709 -5.227 1.00 0.00 C ATOM 1749 CG TYR A 111 14.031 7.057 -3.801 1.00 0.00 C ATOM 1750 CD1 TYR A 111 15.247 7.657 -3.502 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.158 6.785 -2.755 1.00 0.00 C ATOM 1752 CE1 TYR A 111 15.584 7.976 -2.200 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.487 7.102 -1.451 1.00 0.00 C ATOM 1754 CZ TYR A 111 14.700 7.697 -1.179 1.00 0.00 C ATOM 1755 OH TYR A 111 15.032 8.014 0.119 1.00 0.00 O ATOM 0 H TYR A 111 11.991 8.643 -5.669 1.00 0.00 H new ATOM 0 HA TYR A 111 14.876 8.252 -6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.624 6.389 -5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 111 14.270 5.861 -5.551 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.941 7.878 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.207 6.318 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 111 16.534 8.441 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.797 6.885 -0.649 1.00 0.00 H new ATOM 0 HH TYR A 111 14.509 7.459 0.735 1.00 0.00 H new ATOM 1765 N LYS A 112 12.907 8.101 -8.436 1.00 0.00 N ATOM 1766 CA LYS A 112 12.656 7.722 -9.822 1.00 0.00 C ATOM 1767 C LYS A 112 13.603 8.456 -10.767 1.00 0.00 C ATOM 1768 O LYS A 112 13.980 7.931 -11.814 1.00 0.00 O ATOM 1769 CB LYS A 112 11.205 8.024 -10.200 1.00 0.00 C ATOM 1770 CG LYS A 112 10.253 6.871 -9.928 1.00 0.00 C ATOM 1771 CD LYS A 112 8.814 7.252 -10.236 1.00 0.00 C ATOM 1772 CE LYS A 112 7.837 6.221 -9.695 1.00 0.00 C ATOM 1773 NZ LYS A 112 7.732 5.033 -10.587 1.00 0.00 N ATOM 0 H LYS A 112 12.449 8.964 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 112 12.834 6.651 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.869 8.900 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.160 8.280 -11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.540 6.011 -10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.335 6.569 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.594 8.227 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.684 7.347 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.158 5.903 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.854 6.677 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.252 4.261 -10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.186 5.284 -11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.685 4.724 -10.867 1.00 0.00 H new ATOM 1787 N ASP A 113 13.983 9.672 -10.389 1.00 0.00 N ATOM 1788 CA ASP A 113 14.886 10.478 -11.203 1.00 0.00 C ATOM 1789 C ASP A 113 16.308 10.423 -10.654 1.00 0.00 C ATOM 1790 O ASP A 113 17.278 10.504 -11.408 1.00 0.00 O ATOM 1791 CB ASP A 113 14.402 11.928 -11.255 1.00 0.00 C ATOM 1792 CG ASP A 113 13.075 12.070 -11.974 1.00 0.00 C ATOM 1793 OD1 ASP A 113 12.824 11.288 -12.916 1.00 0.00 O ATOM 1794 OD2 ASP A 113 12.288 12.963 -11.597 1.00 0.00 O ATOM 0 H ASP A 113 13.680 10.121 -9.525 1.00 0.00 H new ATOM 0 HA ASP A 113 14.890 10.067 -12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.305 12.312 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 113 15.151 12.540 -11.757 1.00 0.00 H new ATOM 1799 N ALA A 114 16.423 10.284 -9.338 1.00 0.00 N ATOM 1800 CA ALA A 114 17.727 10.218 -8.688 1.00 0.00 C ATOM 1801 C ALA A 114 18.199 8.775 -8.551 1.00 0.00 C ATOM 1802 O ALA A 114 19.287 8.422 -9.007 1.00 0.00 O ATOM 1803 CB ALA A 114 17.670 10.889 -7.324 1.00 0.00 C ATOM 0 H ALA A 114 15.630 10.215 -8.701 1.00 0.00 H new ATOM 0 HA ALA A 114 18.445 10.749 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 114 18.650 10.833 -6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 114 17.385 11.934 -7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.935 10.382 -6.699 1.00 0.00 H new ATOM 1809 N ASP A 115 17.375 7.945 -7.920 1.00 0.00 N ATOM 1810 CA ASP A 115 17.709 6.540 -7.723 1.00 0.00 C ATOM 1811 C ASP A 115 17.027 5.666 -8.771 1.00 0.00 C ATOM 1812 O ASP A 115 16.471 6.229 -9.738 1.00 0.00 O ATOM 1813 CB ASP A 115 17.298 6.088 -6.321 1.00 0.00 C ATOM 1814 CG ASP A 115 18.402 6.291 -5.301 1.00 0.00 C ATOM 1815 OD1 ASP A 115 19.563 5.948 -5.607 1.00 0.00 O ATOM 1816 OD2 ASP A 115 18.105 6.795 -4.197 1.00 0.00 O ATOM 1817 OXT ASP A 115 17.055 4.427 -8.617 1.00 0.00 O ATOM 0 H ASP A 115 16.471 8.221 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 115 18.788 6.431 -7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 115 16.412 6.642 -6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 115 17.022 5.034 -6.348 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N ASP B 453 -14.467 -14.672 -1.396 1.00 0.00 N ATOM 1824 CA ASP B 453 -15.646 -14.509 -2.239 1.00 0.00 C ATOM 1825 C ASP B 453 -15.728 -13.091 -2.793 1.00 0.00 C ATOM 1826 O ASP B 453 -15.949 -12.892 -3.987 1.00 0.00 O ATOM 1827 CB ASP B 453 -16.914 -14.834 -1.447 1.00 0.00 C ATOM 1828 CG ASP B 453 -16.994 -14.064 -0.143 1.00 0.00 C ATOM 1829 OD1 ASP B 453 -15.998 -14.067 0.611 1.00 0.00 O ATOM 1830 OD2 ASP B 453 -18.053 -13.458 0.124 1.00 0.00 O ATOM 0 HA ASP B 453 -15.561 -15.202 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -17.788 -14.604 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -16.944 -15.903 -1.237 1.00 0.00 H new ATOM 1835 N LEU B 454 -15.547 -12.108 -1.917 1.00 0.00 N ATOM 1836 CA LEU B 454 -15.600 -10.706 -2.319 1.00 0.00 C ATOM 1837 C LEU B 454 -14.197 -10.133 -2.521 1.00 0.00 C ATOM 1838 O LEU B 454 -14.028 -8.921 -2.653 1.00 0.00 O ATOM 1839 CB LEU B 454 -16.352 -9.883 -1.271 1.00 0.00 C ATOM 1840 CG LEU B 454 -17.130 -8.688 -1.823 1.00 0.00 C ATOM 1841 CD1 LEU B 454 -18.533 -9.107 -2.233 1.00 0.00 C ATOM 1842 CD2 LEU B 454 -17.186 -7.569 -0.794 1.00 0.00 C ATOM 0 H LEU B 454 -15.362 -12.256 -0.925 1.00 0.00 H new ATOM 0 HA LEU B 454 -16.131 -10.651 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU B 454 -17.047 -10.539 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU B 454 -15.636 -9.521 -0.533 1.00 0.00 H new ATOM 0 HG LEU B 454 -16.611 -8.318 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU B 454 -19.071 -8.243 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU B 454 -18.473 -9.875 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU B 454 -19.062 -9.503 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU B 454 -17.743 -6.726 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU B 454 -17.682 -7.928 0.108 1.00 0.00 H new ATOM 0 HD23 LEU B 454 -16.173 -7.249 -0.548 1.00 0.00 H new ATOM 1854 N ASP B 455 -13.194 -11.007 -2.544 1.00 0.00 N ATOM 1855 CA ASP B 455 -11.812 -10.578 -2.730 1.00 0.00 C ATOM 1856 C ASP B 455 -11.571 -10.124 -4.166 1.00 0.00 C ATOM 1857 O ASP B 455 -10.734 -9.258 -4.420 1.00 0.00 O ATOM 1858 CB ASP B 455 -10.851 -11.714 -2.373 1.00 0.00 C ATOM 1859 CG ASP B 455 -9.538 -11.206 -1.813 1.00 0.00 C ATOM 1860 OD1 ASP B 455 -9.221 -10.017 -2.027 1.00 0.00 O ATOM 1861 OD2 ASP B 455 -8.825 -11.996 -1.159 1.00 0.00 O ATOM 0 H ASP B 455 -13.313 -12.014 -2.436 1.00 0.00 H new ATOM 0 HA ASP B 455 -11.628 -9.733 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP B 455 -11.324 -12.371 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP B 455 -10.656 -12.314 -3.262 1.00 0.00 H new ATOM 1866 N GLU B 456 -12.308 -10.714 -5.101 1.00 0.00 N ATOM 1867 CA GLU B 456 -12.173 -10.370 -6.512 1.00 0.00 C ATOM 1868 C GLU B 456 -12.450 -8.887 -6.740 1.00 0.00 C ATOM 1869 O GLU B 456 -11.681 -8.198 -7.410 1.00 0.00 O ATOM 1870 CB GLU B 456 -13.126 -11.216 -7.359 1.00 0.00 C ATOM 1871 CG GLU B 456 -14.582 -11.095 -6.941 1.00 0.00 C ATOM 1872 CD GLU B 456 -15.483 -12.063 -7.681 1.00 0.00 C ATOM 1873 OE1 GLU B 456 -15.310 -13.288 -7.508 1.00 0.00 O ATOM 1874 OE2 GLU B 456 -16.363 -11.597 -8.436 1.00 0.00 O ATOM 0 H GLU B 456 -13.005 -11.433 -4.907 1.00 0.00 H new ATOM 0 HA GLU B 456 -11.147 -10.580 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU B 456 -13.031 -10.919 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU B 456 -12.824 -12.261 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU B 456 -14.665 -11.275 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU B 456 -14.924 -10.076 -7.121 1.00 0.00 H new ATOM 1881 N SER B 457 -13.554 -8.403 -6.179 1.00 0.00 N ATOM 1882 CA SER B 457 -13.932 -7.002 -6.322 1.00 0.00 C ATOM 1883 C SER B 457 -12.900 -6.091 -5.665 1.00 0.00 C ATOM 1884 O SER B 457 -12.304 -5.237 -6.321 1.00 0.00 O ATOM 1885 CB SER B 457 -15.311 -6.759 -5.705 1.00 0.00 C ATOM 1886 OG SER B 457 -16.266 -7.672 -6.216 1.00 0.00 O ATOM 0 H SER B 457 -14.202 -8.960 -5.622 1.00 0.00 H new ATOM 0 HA SER B 457 -13.971 -6.768 -7.386 1.00 0.00 H new ATOM 0 HB2 SER B 457 -15.251 -6.859 -4.621 1.00 0.00 H new ATOM 0 HB3 SER B 457 -15.631 -5.738 -5.913 1.00 0.00 H new ATOM 0 HG SER B 457 -17.138 -7.497 -5.805 1.00 0.00 H new ATOM 1892 N TRP B 458 -12.695 -6.279 -4.365 1.00 0.00 N ATOM 1893 CA TRP B 458 -11.735 -5.475 -3.614 1.00 0.00 C ATOM 1894 C TRP B 458 -10.351 -5.521 -4.259 1.00 0.00 C ATOM 1895 O TRP B 458 -9.537 -4.619 -4.064 1.00 0.00 O ATOM 1896 CB TRP B 458 -11.654 -5.965 -2.166 1.00 0.00 C ATOM 1897 CG TRP B 458 -12.410 -5.101 -1.202 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -12.140 -4.927 0.125 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -13.559 -4.295 -1.488 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -13.051 -4.062 0.682 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -13.932 -3.660 -0.287 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -14.310 -4.047 -2.641 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -15.020 -2.795 -0.209 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -15.390 -3.188 -2.562 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -15.736 -2.571 -1.353 1.00 0.00 C ATOM 0 H TRP B 458 -13.181 -6.982 -3.808 1.00 0.00 H new ATOM 0 HA TRP B 458 -12.081 -4.441 -3.625 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -12.042 -6.982 -2.112 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -10.608 -6.006 -1.862 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -11.329 -5.400 0.659 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -13.068 -3.767 1.658 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -14.051 -4.519 -3.577 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -15.289 -2.318 0.722 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -15.977 -2.989 -3.447 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -16.585 -1.905 -1.323 1.00 0.00 H new ATOM 1916 N ASP B 459 -10.090 -6.575 -5.026 1.00 0.00 N ATOM 1917 CA ASP B 459 -8.804 -6.732 -5.696 1.00 0.00 C ATOM 1918 C ASP B 459 -8.822 -6.092 -7.083 1.00 0.00 C ATOM 1919 O ASP B 459 -7.771 -5.793 -7.650 1.00 0.00 O ATOM 1920 CB ASP B 459 -8.444 -8.214 -5.811 1.00 0.00 C ATOM 1921 CG ASP B 459 -7.997 -8.805 -4.489 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -7.529 -8.036 -3.623 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -8.115 -10.037 -4.319 1.00 0.00 O ATOM 0 H ASP B 459 -10.751 -7.332 -5.199 1.00 0.00 H new ATOM 0 HA ASP B 459 -8.049 -6.225 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -9.308 -8.767 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -7.650 -8.336 -6.547 1.00 0.00 H new ATOM 1928 N TYR B 460 -10.019 -5.887 -7.627 1.00 0.00 N ATOM 1929 CA TYR B 460 -10.164 -5.287 -8.949 1.00 0.00 C ATOM 1930 C TYR B 460 -10.503 -3.801 -8.850 1.00 0.00 C ATOM 1931 O TYR B 460 -10.207 -3.027 -9.759 1.00 0.00 O ATOM 1932 CB TYR B 460 -11.247 -6.018 -9.746 1.00 0.00 C ATOM 1933 CG TYR B 460 -10.854 -6.314 -11.176 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -10.207 -5.359 -11.951 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -11.129 -7.548 -11.750 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -9.846 -5.626 -13.258 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -10.771 -7.823 -13.057 1.00 0.00 C ATOM 1938 CZ TYR B 460 -10.130 -6.859 -13.805 1.00 0.00 C ATOM 1939 OH TYR B 460 -9.772 -7.129 -15.106 1.00 0.00 O ATOM 0 H TYR B 460 -10.900 -6.127 -7.173 1.00 0.00 H new ATOM 0 HA TYR B 460 -9.210 -5.384 -9.467 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -11.486 -6.955 -9.243 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -12.155 -5.415 -9.745 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -9.983 -4.392 -11.525 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -11.631 -8.305 -11.166 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -9.344 -4.873 -13.847 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -10.992 -8.788 -13.489 1.00 0.00 H new ATOM 0 HH TYR B 460 -10.043 -8.042 -15.337 1.00 0.00 H new ATOM 1949 N ILE B 461 -11.129 -3.408 -7.743 1.00 0.00 N ATOM 1950 CA ILE B 461 -11.508 -2.014 -7.536 1.00 0.00 C ATOM 1951 C ILE B 461 -10.308 -1.082 -7.690 1.00 0.00 C ATOM 1952 O ILE B 461 -10.458 0.084 -8.054 1.00 0.00 O ATOM 1953 CB ILE B 461 -12.141 -1.801 -6.144 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -11.103 -2.023 -5.040 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -13.333 -2.730 -5.954 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -11.662 -1.875 -3.642 1.00 0.00 C ATOM 0 H ILE B 461 -11.383 -4.033 -6.978 1.00 0.00 H new ATOM 0 HA ILE B 461 -12.246 -1.774 -8.301 1.00 0.00 H new ATOM 0 HB ILE B 461 -12.493 -0.771 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -10.678 -3.021 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -10.287 -1.313 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -13.768 -2.567 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -14.081 -2.523 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -13.004 -3.766 -6.039 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -10.870 -2.046 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -12.061 -0.869 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -12.458 -2.603 -3.490 1.00 0.00 H new ATOM 1968 N PHE B 462 -9.118 -1.605 -7.411 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.893 -0.819 -7.520 1.00 0.00 C ATOM 1970 C PHE B 462 -7.306 -0.915 -8.924 1.00 0.00 C ATOM 1971 O PHE B 462 -6.710 0.038 -9.425 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.866 -1.294 -6.491 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.342 -1.166 -5.073 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -8.101 -2.168 -4.492 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -7.032 -0.043 -4.323 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -8.543 -2.053 -3.189 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -7.471 0.077 -3.018 1.00 0.00 C ATOM 1978 CZ PHE B 462 -8.228 -0.929 -2.450 1.00 0.00 C ATOM 0 H PHE B 462 -8.976 -2.569 -7.108 1.00 0.00 H new ATOM 0 HA PHE B 462 -8.141 0.224 -7.322 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -6.618 -2.336 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.948 -0.719 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -8.350 -3.049 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -6.441 0.747 -4.763 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -9.135 -2.841 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -7.222 0.957 -2.443 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.573 -0.837 -1.431 1.00 0.00 H new ATOM 1988 N GLU B 463 -7.479 -2.073 -9.555 1.00 0.00 N ATOM 1989 CA GLU B 463 -6.967 -2.293 -10.902 1.00 0.00 C ATOM 1990 C GLU B 463 -7.848 -1.605 -11.939 1.00 0.00 C ATOM 1991 O GLU B 463 -7.363 -1.135 -12.968 1.00 0.00 O ATOM 1992 CB GLU B 463 -6.884 -3.791 -11.200 1.00 0.00 C ATOM 1993 CG GLU B 463 -5.870 -4.142 -12.276 1.00 0.00 C ATOM 1994 CD GLU B 463 -5.121 -5.426 -11.976 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -4.749 -5.635 -10.802 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -4.908 -6.222 -12.915 1.00 0.00 O ATOM 0 H GLU B 463 -7.970 -2.872 -9.154 1.00 0.00 H new ATOM 0 HA GLU B 463 -5.967 -1.862 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -6.627 -4.322 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -7.867 -4.146 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -6.381 -4.239 -13.234 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -5.156 -3.325 -12.378 1.00 0.00 H new ATOM 2003 N THR B 464 -9.147 -1.548 -11.660 1.00 0.00 N ATOM 2004 CA THR B 464 -10.096 -0.916 -12.569 1.00 0.00 C ATOM 2005 C THR B 464 -10.034 0.603 -12.450 1.00 0.00 C ATOM 2006 O THR B 464 -9.811 1.142 -11.366 1.00 0.00 O ATOM 2007 CB THR B 464 -11.516 -1.404 -12.276 1.00 0.00 C ATOM 2008 OG1 THR B 464 -11.571 -2.820 -12.282 1.00 0.00 O ATOM 2009 CG2 THR B 464 -12.539 -0.900 -13.271 1.00 0.00 C ATOM 0 H THR B 464 -9.566 -1.932 -10.813 1.00 0.00 H new ATOM 0 HA THR B 464 -9.826 -1.194 -13.588 1.00 0.00 H new ATOM 0 HB THR B 464 -11.762 -1.004 -11.292 1.00 0.00 H new ATOM 0 HG1 THR B 464 -10.710 -3.180 -12.582 1.00 0.00 H new ATOM 0 HG21 THR B 464 -13.524 -1.283 -13.005 1.00 0.00 H new ATOM 0 HG22 THR B 464 -12.557 0.190 -13.254 1.00 0.00 H new ATOM 0 HG23 THR B 464 -12.274 -1.243 -14.271 1.00 0.00 H new ATOM 2017 N THR B 465 -10.232 1.288 -13.573 1.00 0.00 N ATOM 2018 CA THR B 465 -10.199 2.747 -13.598 1.00 0.00 C ATOM 2019 C THR B 465 -8.879 3.274 -13.043 1.00 0.00 C ATOM 2020 O THR B 465 -8.063 2.511 -12.527 1.00 0.00 O ATOM 2021 CB THR B 465 -11.369 3.321 -12.795 1.00 0.00 C ATOM 2022 OG1 THR B 465 -11.105 3.252 -11.405 1.00 0.00 O ATOM 2023 CG2 THR B 465 -12.679 2.608 -13.050 1.00 0.00 C ATOM 0 H THR B 465 -10.417 0.856 -14.478 1.00 0.00 H new ATOM 0 HA THR B 465 -10.289 3.067 -14.636 1.00 0.00 H new ATOM 0 HB THR B 465 -11.467 4.354 -13.128 1.00 0.00 H new ATOM 0 HG1 THR B 465 -11.067 2.313 -11.125 1.00 0.00 H new ATOM 0 HG21 THR B 465 -13.465 3.065 -12.449 1.00 0.00 H new ATOM 0 HG22 THR B 465 -12.937 2.687 -14.106 1.00 0.00 H new ATOM 0 HG23 THR B 465 -12.580 1.557 -12.778 1.00 0.00 H new TER 2031 THR B 465