USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 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 27 THR OG1 : rot -86:sc= 0.0347 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.129 X(o=0.16,f=0.26) USER MOD Single : A 21 HIS : no HE2:sc= 0.0284 K(o=0.028,f=-0.57) USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.0451 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0.917 (180deg=0.643) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.0772 USER MOD Single : A 43 THR OG1 : rot 38:sc= 0.0982 USER MOD Single : A 47 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.23) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 70:sc= 0.412 USER MOD Single : A 67 SER OG : rot 150:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 42:sc= 0.254 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 121:sc= 0.407 USER MOD Single : A 81 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.8!) USER MOD Single : A 89 TYR OH : rot -83:sc= -0.133 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00215) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 21 1.319 1.546 -1.818 1.00 0.00 N ATOM 2 CA HIS A 21 2.523 0.687 -1.916 1.00 0.00 C ATOM 3 C HIS A 21 2.092 -0.728 -2.339 1.00 0.00 C ATOM 4 O HIS A 21 1.709 -1.549 -1.501 1.00 0.00 O ATOM 5 CB HIS A 21 3.290 0.677 -0.561 1.00 0.00 C ATOM 6 CG HIS A 21 4.668 0.038 -0.597 1.00 0.00 C ATOM 7 ND1 HIS A 21 4.957 -1.186 -0.026 1.00 0.00 N ATOM 8 CD2 HIS A 21 5.845 0.492 -1.101 1.00 0.00 C ATOM 9 CE1 HIS A 21 6.243 -1.446 -0.170 1.00 0.00 C ATOM 10 NE2 HIS A 21 6.798 -0.448 -0.818 1.00 0.00 N ATOM 0 HA HIS A 21 3.206 1.081 -2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.394 1.705 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.684 0.151 0.177 1.00 0.00 H new ATOM 0 HD1 HIS A 21 4.281 -1.795 0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.000 1.422 -1.627 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.752 -2.330 0.185 1.00 0.00 H new ATOM 19 N ALA A 22 2.095 -0.965 -3.662 1.00 0.00 N ATOM 20 CA ALA A 22 1.783 -2.270 -4.280 1.00 0.00 C ATOM 21 C ALA A 22 2.647 -2.441 -5.539 1.00 0.00 C ATOM 22 O ALA A 22 2.958 -1.444 -6.211 1.00 0.00 O ATOM 23 CB ALA A 22 0.285 -2.377 -4.626 1.00 0.00 C ATOM 0 H ALA A 22 2.318 -0.243 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 22 2.008 -3.067 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.085 -3.348 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.307 -2.272 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.016 -1.587 -5.327 1.00 0.00 H new ATOM 29 N ALA A 23 3.054 -3.689 -5.846 1.00 0.00 N ATOM 30 CA ALA A 23 3.841 -3.988 -7.059 1.00 0.00 C ATOM 31 C ALA A 23 2.986 -3.740 -8.312 1.00 0.00 C ATOM 32 O ALA A 23 1.841 -4.209 -8.390 1.00 0.00 O ATOM 33 CB ALA A 23 4.358 -5.432 -7.025 1.00 0.00 C ATOM 0 H ALA A 23 2.851 -4.506 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 23 4.705 -3.325 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.935 -5.633 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.993 -5.571 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.514 -6.120 -6.974 1.00 0.00 H new ATOM 39 N THR A 24 3.536 -2.971 -9.265 1.00 0.00 N ATOM 40 CA THR A 24 2.845 -2.608 -10.514 1.00 0.00 C ATOM 41 C THR A 24 2.615 -3.853 -11.389 1.00 0.00 C ATOM 42 O THR A 24 3.514 -4.684 -11.525 1.00 0.00 O ATOM 43 CB THR A 24 3.694 -1.563 -11.323 1.00 0.00 C ATOM 44 OG1 THR A 24 4.052 -0.467 -10.468 1.00 0.00 O ATOM 45 CG2 THR A 24 2.950 -1.020 -12.563 1.00 0.00 C ATOM 0 H THR A 24 4.476 -2.582 -9.191 1.00 0.00 H new ATOM 0 HA THR A 24 1.882 -2.171 -10.250 1.00 0.00 H new ATOM 0 HB THR A 24 4.585 -2.081 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.859 -0.697 -9.961 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.585 -0.302 -13.083 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.710 -1.845 -13.234 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.029 -0.529 -12.249 1.00 0.00 H new ATOM 53 N GLU A 25 1.406 -3.996 -11.955 1.00 0.00 N ATOM 54 CA GLU A 25 1.157 -5.008 -12.986 1.00 0.00 C ATOM 55 C GLU A 25 1.865 -4.539 -14.265 1.00 0.00 C ATOM 56 O GLU A 25 1.528 -3.488 -14.811 1.00 0.00 O ATOM 57 CB GLU A 25 -0.364 -5.199 -13.224 1.00 0.00 C ATOM 58 CG GLU A 25 -0.708 -6.315 -14.232 1.00 0.00 C ATOM 59 CD GLU A 25 -2.219 -6.549 -14.378 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.827 -7.144 -13.463 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.804 -6.147 -15.404 1.00 0.00 O ATOM 0 H GLU A 25 0.594 -3.427 -11.717 1.00 0.00 H new ATOM 0 HA GLU A 25 1.545 -5.977 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.845 -5.423 -12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.786 -4.259 -13.580 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.290 -6.059 -15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.232 -7.243 -13.915 1.00 0.00 H new ATOM 68 N LEU A 26 2.863 -5.306 -14.712 1.00 0.00 N ATOM 69 CA LEU A 26 3.701 -4.939 -15.858 1.00 0.00 C ATOM 70 C LEU A 26 3.054 -5.490 -17.130 1.00 0.00 C ATOM 71 O LEU A 26 2.602 -6.649 -17.146 1.00 0.00 O ATOM 72 CB LEU A 26 5.151 -5.481 -15.681 1.00 0.00 C ATOM 73 CG LEU A 26 6.235 -4.844 -16.604 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.370 -3.323 -16.338 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.598 -5.555 -16.447 1.00 0.00 C ATOM 0 H LEU A 26 3.113 -6.200 -14.289 1.00 0.00 H new ATOM 0 HA LEU A 26 3.773 -3.854 -15.930 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.450 -5.330 -14.644 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.140 -6.557 -15.856 1.00 0.00 H new ATOM 0 HG LEU A 26 5.908 -4.978 -17.635 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.133 -2.905 -16.995 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.416 -2.834 -16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.657 -3.159 -15.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.331 -5.086 -17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.934 -5.474 -15.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.492 -6.607 -16.713 1.00 0.00 H new ATOM 87 N THR A 27 2.990 -4.650 -18.174 1.00 0.00 N ATOM 88 CA THR A 27 2.391 -5.024 -19.454 1.00 0.00 C ATOM 89 C THR A 27 3.263 -6.093 -20.152 1.00 0.00 C ATOM 90 O THR A 27 4.490 -6.034 -20.031 1.00 0.00 O ATOM 91 CB THR A 27 2.225 -3.774 -20.379 1.00 0.00 C ATOM 92 OG1 THR A 27 3.504 -3.166 -20.629 1.00 0.00 O ATOM 93 CG2 THR A 27 1.268 -2.733 -19.772 1.00 0.00 C ATOM 0 H THR A 27 3.352 -3.697 -18.150 1.00 0.00 H new ATOM 0 HA THR A 27 1.401 -5.439 -19.263 1.00 0.00 H new ATOM 0 HB THR A 27 1.793 -4.121 -21.318 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.711 -2.532 -19.911 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.181 -1.881 -20.447 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.286 -3.183 -19.627 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.658 -2.397 -18.811 1.00 0.00 H new ATOM 101 N PRO A 28 2.633 -7.105 -20.854 1.00 0.00 N ATOM 102 CA PRO A 28 3.349 -8.133 -21.659 1.00 0.00 C ATOM 103 C PRO A 28 4.479 -7.559 -22.545 1.00 0.00 C ATOM 104 O PRO A 28 5.507 -8.209 -22.758 1.00 0.00 O ATOM 105 CB PRO A 28 2.216 -8.725 -22.531 1.00 0.00 C ATOM 106 CG PRO A 28 0.985 -8.620 -21.678 1.00 0.00 C ATOM 107 CD PRO A 28 1.157 -7.354 -20.857 1.00 0.00 C ATOM 0 HA PRO A 28 3.862 -8.856 -21.025 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.101 -8.170 -23.462 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.424 -9.760 -22.801 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.086 -8.568 -22.293 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.880 -9.493 -21.033 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.615 -6.518 -21.299 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.774 -7.483 -19.845 1.00 0.00 H new ATOM 115 N GLU A 29 4.252 -6.333 -23.044 1.00 0.00 N ATOM 116 CA GLU A 29 5.203 -5.596 -23.886 1.00 0.00 C ATOM 117 C GLU A 29 6.492 -5.267 -23.102 1.00 0.00 C ATOM 118 O GLU A 29 7.590 -5.682 -23.496 1.00 0.00 O ATOM 119 CB GLU A 29 4.514 -4.307 -24.407 1.00 0.00 C ATOM 120 CG GLU A 29 5.348 -3.466 -25.389 1.00 0.00 C ATOM 121 CD GLU A 29 4.540 -2.322 -26.021 1.00 0.00 C ATOM 122 OE1 GLU A 29 4.364 -1.271 -25.371 1.00 0.00 O ATOM 123 OE2 GLU A 29 4.039 -2.485 -27.150 1.00 0.00 O ATOM 0 H GLU A 29 3.388 -5.820 -22.870 1.00 0.00 H new ATOM 0 HA GLU A 29 5.496 -6.213 -24.735 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.580 -4.586 -24.896 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.252 -3.684 -23.552 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.210 -3.051 -24.866 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.734 -4.112 -26.177 1.00 0.00 H new ATOM 130 N GLN A 30 6.335 -4.553 -21.968 1.00 0.00 N ATOM 131 CA GLN A 30 7.471 -4.159 -21.108 1.00 0.00 C ATOM 132 C GLN A 30 8.158 -5.389 -20.492 1.00 0.00 C ATOM 133 O GLN A 30 9.365 -5.393 -20.318 1.00 0.00 O ATOM 134 CB GLN A 30 7.008 -3.214 -19.973 1.00 0.00 C ATOM 135 CG GLN A 30 6.472 -1.858 -20.448 1.00 0.00 C ATOM 136 CD GLN A 30 6.035 -0.963 -19.290 1.00 0.00 C ATOM 137 OE1 GLN A 30 4.873 -0.977 -18.879 1.00 0.00 O ATOM 138 NE2 GLN A 30 6.972 -0.212 -18.728 1.00 0.00 N ATOM 0 H GLN A 30 5.428 -4.236 -21.625 1.00 0.00 H new ATOM 0 HA GLN A 30 8.185 -3.635 -21.743 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.231 -3.715 -19.396 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.846 -3.042 -19.297 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.243 -1.348 -21.026 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.627 -2.019 -21.117 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.924 -0.225 -19.094 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.741 0.379 -17.929 1.00 0.00 H new ATOM 147 N ALA A 31 7.363 -6.425 -20.193 1.00 0.00 N ATOM 148 CA ALA A 31 7.828 -7.661 -19.537 1.00 0.00 C ATOM 149 C ALA A 31 8.681 -8.530 -20.478 1.00 0.00 C ATOM 150 O ALA A 31 9.507 -9.322 -20.020 1.00 0.00 O ATOM 151 CB ALA A 31 6.623 -8.449 -19.005 1.00 0.00 C ATOM 0 H ALA A 31 6.365 -6.431 -20.402 1.00 0.00 H new ATOM 0 HA ALA A 31 8.470 -7.379 -18.703 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.970 -9.362 -18.521 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.080 -7.839 -18.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.962 -8.706 -19.833 1.00 0.00 H new ATOM 157 N ALA A 32 8.467 -8.371 -21.794 1.00 0.00 N ATOM 158 CA ALA A 32 9.249 -9.078 -22.826 1.00 0.00 C ATOM 159 C ALA A 32 10.610 -8.389 -23.073 1.00 0.00 C ATOM 160 O ALA A 32 11.517 -8.998 -23.641 1.00 0.00 O ATOM 161 CB ALA A 32 8.437 -9.164 -24.123 1.00 0.00 C ATOM 0 H ALA A 32 7.751 -7.752 -22.173 1.00 0.00 H new ATOM 0 HA ALA A 32 9.457 -10.087 -22.470 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.018 -9.687 -24.882 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.511 -9.708 -23.937 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.203 -8.159 -24.473 1.00 0.00 H new ATOM 167 N ALA A 33 10.729 -7.115 -22.650 1.00 0.00 N ATOM 168 CA ALA A 33 11.968 -6.319 -22.803 1.00 0.00 C ATOM 169 C ALA A 33 12.796 -6.332 -21.505 1.00 0.00 C ATOM 170 O ALA A 33 14.030 -6.402 -21.538 1.00 0.00 O ATOM 171 CB ALA A 33 11.614 -4.885 -23.204 1.00 0.00 C ATOM 0 H ALA A 33 9.971 -6.607 -22.193 1.00 0.00 H new ATOM 0 HA ALA A 33 12.577 -6.767 -23.588 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.528 -4.302 -23.316 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.072 -4.895 -24.150 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.989 -4.435 -22.433 1.00 0.00 H new ATOM 177 N LEU A 34 12.094 -6.249 -20.368 1.00 0.00 N ATOM 178 CA LEU A 34 12.699 -6.237 -19.027 1.00 0.00 C ATOM 179 C LEU A 34 12.883 -7.681 -18.539 1.00 0.00 C ATOM 180 O LEU A 34 12.043 -8.546 -18.807 1.00 0.00 O ATOM 181 CB LEU A 34 11.807 -5.432 -18.039 1.00 0.00 C ATOM 182 CG LEU A 34 11.613 -3.918 -18.385 1.00 0.00 C ATOM 183 CD1 LEU A 34 10.608 -3.233 -17.424 1.00 0.00 C ATOM 184 CD2 LEU A 34 12.968 -3.174 -18.406 1.00 0.00 C ATOM 0 H LEU A 34 11.076 -6.187 -20.352 1.00 0.00 H new ATOM 0 HA LEU A 34 13.674 -5.751 -19.074 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.826 -5.905 -17.995 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.242 -5.506 -17.042 1.00 0.00 H new ATOM 0 HG LEU A 34 11.187 -3.865 -19.387 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.501 -2.183 -17.697 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.639 -3.728 -17.497 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.976 -3.306 -16.401 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.803 -2.124 -18.649 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.440 -3.250 -17.426 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.618 -3.623 -19.157 1.00 0.00 H new ATOM 196 N LYS A 35 14.002 -7.931 -17.846 1.00 0.00 N ATOM 197 CA LYS A 35 14.331 -9.260 -17.303 1.00 0.00 C ATOM 198 C LYS A 35 14.052 -9.278 -15.780 1.00 0.00 C ATOM 199 O LYS A 35 14.492 -8.368 -15.066 1.00 0.00 O ATOM 200 CB LYS A 35 15.813 -9.649 -17.612 1.00 0.00 C ATOM 201 CG LYS A 35 16.096 -10.060 -19.088 1.00 0.00 C ATOM 202 CD LYS A 35 15.972 -8.895 -20.097 1.00 0.00 C ATOM 203 CE LYS A 35 16.145 -9.342 -21.560 1.00 0.00 C ATOM 204 NZ LYS A 35 16.106 -8.195 -22.508 1.00 0.00 N ATOM 0 H LYS A 35 14.705 -7.220 -17.645 1.00 0.00 H new ATOM 0 HA LYS A 35 13.699 -10.005 -17.787 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.454 -8.805 -17.357 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.099 -10.475 -16.960 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.101 -10.478 -19.152 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.403 -10.851 -19.374 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.996 -8.424 -19.980 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.721 -8.139 -19.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.094 -9.868 -21.667 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.357 -10.050 -21.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.870 -8.540 -23.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.385 -7.513 -22.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.036 -7.730 -22.529 1.00 0.00 H new ATOM 218 N PRO A 36 13.282 -10.290 -15.275 1.00 0.00 N ATOM 219 CA PRO A 36 13.018 -10.454 -13.826 1.00 0.00 C ATOM 220 C PRO A 36 14.220 -11.080 -13.082 1.00 0.00 C ATOM 221 O PRO A 36 15.104 -11.693 -13.701 1.00 0.00 O ATOM 222 CB PRO A 36 11.798 -11.398 -13.818 1.00 0.00 C ATOM 223 CG PRO A 36 12.000 -12.257 -15.025 1.00 0.00 C ATOM 224 CD PRO A 36 12.590 -11.346 -16.073 1.00 0.00 C ATOM 0 HA PRO A 36 12.846 -9.508 -13.313 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.760 -11.993 -12.906 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.862 -10.842 -13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.669 -13.089 -14.807 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.057 -12.686 -15.364 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.286 -11.879 -16.721 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.818 -10.921 -16.715 1.00 0.00 H new ATOM 232 N TYR A 37 14.246 -10.913 -11.749 1.00 0.00 N ATOM 233 CA TYR A 37 15.321 -11.460 -10.892 1.00 0.00 C ATOM 234 C TYR A 37 14.870 -12.793 -10.239 1.00 0.00 C ATOM 235 O TYR A 37 15.705 -13.609 -9.829 1.00 0.00 O ATOM 236 CB TYR A 37 15.730 -10.415 -9.810 1.00 0.00 C ATOM 237 CG TYR A 37 14.708 -10.206 -8.677 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.551 -9.453 -8.875 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.908 -10.770 -7.410 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.633 -9.275 -7.859 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.990 -10.591 -6.399 1.00 0.00 C ATOM 242 CZ TYR A 37 12.857 -9.846 -6.626 1.00 0.00 C ATOM 243 OH TYR A 37 11.946 -9.662 -5.610 1.00 0.00 O ATOM 0 H TYR A 37 13.530 -10.400 -11.235 1.00 0.00 H new ATOM 0 HA TYR A 37 16.193 -11.669 -11.511 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.678 -10.725 -9.369 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.904 -9.458 -10.301 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.370 -9.001 -9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.797 -11.355 -7.223 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.742 -8.690 -8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.160 -11.035 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 37 11.049 -9.553 -5.990 1.00 0.00 H new ATOM 253 N ASP A 38 13.538 -12.996 -10.172 1.00 0.00 N ATOM 254 CA ASP A 38 12.911 -14.149 -9.498 1.00 0.00 C ATOM 255 C ASP A 38 11.519 -14.401 -10.098 1.00 0.00 C ATOM 256 O ASP A 38 10.965 -13.528 -10.773 1.00 0.00 O ATOM 257 CB ASP A 38 12.813 -13.878 -7.966 1.00 0.00 C ATOM 258 CG ASP A 38 12.250 -15.061 -7.150 1.00 0.00 C ATOM 259 OD1 ASP A 38 12.991 -16.035 -6.924 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.062 -15.035 -6.763 1.00 0.00 O ATOM 0 H ASP A 38 12.862 -12.357 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 38 13.522 -15.039 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.805 -13.630 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.181 -13.005 -7.802 1.00 0.00 H new ATOM 265 N ARG A 39 10.983 -15.618 -9.883 1.00 0.00 N ATOM 266 CA ARG A 39 9.589 -15.961 -10.215 1.00 0.00 C ATOM 267 C ARG A 39 8.889 -16.462 -8.943 1.00 0.00 C ATOM 268 O ARG A 39 9.313 -17.471 -8.366 1.00 0.00 O ATOM 269 CB ARG A 39 9.540 -17.056 -11.326 1.00 0.00 C ATOM 270 CG ARG A 39 10.209 -16.649 -12.660 1.00 0.00 C ATOM 271 CD ARG A 39 10.052 -17.700 -13.775 1.00 0.00 C ATOM 272 NE ARG A 39 10.802 -18.944 -13.502 1.00 0.00 N ATOM 273 CZ ARG A 39 11.348 -19.746 -14.438 1.00 0.00 C ATOM 274 NH1 ARG A 39 11.213 -19.489 -15.737 1.00 0.00 N ATOM 275 NH2 ARG A 39 12.024 -20.815 -14.058 1.00 0.00 N ATOM 0 H ARG A 39 11.507 -16.392 -9.473 1.00 0.00 H new ATOM 0 HA ARG A 39 9.078 -15.076 -10.595 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.025 -17.957 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.498 -17.312 -11.520 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.781 -15.706 -12.999 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.270 -16.473 -12.485 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.995 -17.938 -13.897 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.394 -17.275 -14.719 1.00 0.00 H new ATOM 0 HE ARG A 39 10.916 -19.218 -12.526 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.687 -18.670 -16.043 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.635 -20.111 -16.426 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.128 -21.026 -13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.442 -21.429 -14.757 1.00 0.00 H new ATOM 289 N ILE A 40 7.823 -15.765 -8.507 1.00 0.00 N ATOM 290 CA ILE A 40 7.028 -16.182 -7.339 1.00 0.00 C ATOM 291 C ILE A 40 5.873 -17.087 -7.805 1.00 0.00 C ATOM 292 O ILE A 40 5.173 -16.786 -8.778 1.00 0.00 O ATOM 293 CB ILE A 40 6.466 -14.962 -6.493 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.477 -14.069 -7.322 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.628 -14.106 -5.919 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.819 -12.949 -6.528 1.00 0.00 C ATOM 0 H ILE A 40 7.492 -14.907 -8.949 1.00 0.00 H new ATOM 0 HA ILE A 40 7.695 -16.730 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 40 5.900 -15.384 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.019 -13.632 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.698 -14.705 -7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.218 -13.276 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.250 -14.724 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.232 -13.716 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.153 -12.384 -7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.246 -13.375 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.587 -12.285 -6.130 1.00 0.00 H new ATOM 308 N VAL A 41 5.722 -18.232 -7.135 1.00 0.00 N ATOM 309 CA VAL A 41 4.613 -19.162 -7.369 1.00 0.00 C ATOM 310 C VAL A 41 3.660 -19.068 -6.175 1.00 0.00 C ATOM 311 O VAL A 41 4.070 -19.263 -5.025 1.00 0.00 O ATOM 312 CB VAL A 41 5.112 -20.644 -7.562 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.938 -21.604 -7.889 1.00 0.00 C ATOM 314 CG2 VAL A 41 6.211 -20.715 -8.649 1.00 0.00 C ATOM 0 H VAL A 41 6.369 -18.542 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 41 4.104 -18.885 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 41 5.546 -20.973 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.321 -22.617 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.216 -21.588 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.451 -21.283 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.541 -21.747 -8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.810 -20.353 -9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.057 -20.095 -8.352 1.00 0.00 H new ATOM 324 N ILE A 42 2.407 -18.705 -6.459 1.00 0.00 N ATOM 325 CA ILE A 42 1.327 -18.619 -5.465 1.00 0.00 C ATOM 326 C ILE A 42 0.206 -19.604 -5.851 1.00 0.00 C ATOM 327 O ILE A 42 0.312 -20.308 -6.867 1.00 0.00 O ATOM 328 CB ILE A 42 0.716 -17.160 -5.360 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.064 -16.775 -6.663 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.811 -16.100 -5.043 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.018 -15.611 -6.503 1.00 0.00 C ATOM 0 H ILE A 42 2.106 -18.458 -7.402 1.00 0.00 H new ATOM 0 HA ILE A 42 1.754 -18.871 -4.494 1.00 0.00 H new ATOM 0 HB ILE A 42 0.009 -17.168 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.656 -16.533 -7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.626 -17.644 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.354 -15.113 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.287 -16.342 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.560 -16.102 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.514 -15.414 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.765 -15.854 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.463 -14.726 -6.193 1.00 0.00 H new ATOM 343 N THR A 43 -0.856 -19.657 -5.032 1.00 0.00 N ATOM 344 CA THR A 43 -2.103 -20.356 -5.362 1.00 0.00 C ATOM 345 C THR A 43 -3.267 -19.351 -5.379 1.00 0.00 C ATOM 346 O THR A 43 -3.541 -18.702 -4.367 1.00 0.00 O ATOM 347 CB THR A 43 -2.385 -21.518 -4.349 1.00 0.00 C ATOM 348 OG1 THR A 43 -2.268 -21.051 -2.998 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.428 -22.701 -4.577 1.00 0.00 C ATOM 0 H THR A 43 -0.871 -19.211 -4.115 1.00 0.00 H new ATOM 0 HA THR A 43 -2.003 -20.803 -6.351 1.00 0.00 H new ATOM 0 HB THR A 43 -3.405 -21.862 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.624 -20.140 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.649 -23.491 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.558 -23.084 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.399 -22.367 -4.444 1.00 0.00 H new ATOM 357 N GLY A 44 -3.924 -19.219 -6.543 1.00 0.00 N ATOM 358 CA GLY A 44 -5.066 -18.319 -6.711 1.00 0.00 C ATOM 359 C GLY A 44 -6.338 -19.123 -6.871 1.00 0.00 C ATOM 360 O GLY A 44 -6.345 -20.095 -7.608 1.00 0.00 O ATOM 0 H GLY A 44 -3.676 -19.733 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.149 -17.659 -5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.914 -17.685 -7.584 1.00 0.00 H new ATOM 364 N ARG A 45 -7.412 -18.737 -6.183 1.00 0.00 N ATOM 365 CA ARG A 45 -8.670 -19.509 -6.178 1.00 0.00 C ATOM 366 C ARG A 45 -9.676 -18.935 -7.188 1.00 0.00 C ATOM 367 O ARG A 45 -9.477 -17.845 -7.744 1.00 0.00 O ATOM 368 CB ARG A 45 -9.234 -19.564 -4.736 1.00 0.00 C ATOM 369 CG ARG A 45 -8.353 -20.401 -3.769 1.00 0.00 C ATOM 370 CD ARG A 45 -8.780 -20.281 -2.302 1.00 0.00 C ATOM 371 NE ARG A 45 -8.598 -18.901 -1.810 1.00 0.00 N ATOM 372 CZ ARG A 45 -9.414 -18.253 -0.973 1.00 0.00 C ATOM 373 NH1 ARG A 45 -10.497 -18.838 -0.482 1.00 0.00 N ATOM 374 NH2 ARG A 45 -9.131 -17.007 -0.626 1.00 0.00 N ATOM 0 H ARG A 45 -7.443 -17.890 -5.616 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.472 -20.532 -6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.325 -18.549 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.238 -19.987 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.393 -21.449 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.315 -20.081 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.825 -20.573 -2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.195 -20.969 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.775 -18.396 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.720 -19.799 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.108 -18.327 0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.297 -16.551 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.747 -16.503 0.012 1.00 0.00 H new ATOM 388 N PHE A 46 -10.788 -19.676 -7.392 1.00 0.00 N ATOM 389 CA PHE A 46 -11.810 -19.374 -8.426 1.00 0.00 C ATOM 390 C PHE A 46 -12.653 -18.113 -8.073 1.00 0.00 C ATOM 391 O PHE A 46 -13.580 -17.760 -8.807 1.00 0.00 O ATOM 392 CB PHE A 46 -12.716 -20.634 -8.623 1.00 0.00 C ATOM 393 CG PHE A 46 -13.618 -20.606 -9.862 1.00 0.00 C ATOM 394 CD1 PHE A 46 -13.072 -20.705 -11.145 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.009 -20.479 -9.750 1.00 0.00 C ATOM 396 CE1 PHE A 46 -13.882 -20.680 -12.269 1.00 0.00 C ATOM 397 CE2 PHE A 46 -15.813 -20.454 -10.875 1.00 0.00 C ATOM 398 CZ PHE A 46 -15.250 -20.555 -12.135 1.00 0.00 C ATOM 0 H PHE A 46 -11.005 -20.507 -6.841 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.303 -19.140 -9.362 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.077 -21.515 -8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.344 -20.751 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.003 -20.802 -11.262 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.459 -20.400 -8.772 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.442 -20.759 -13.252 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.883 -20.355 -10.770 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.880 -20.536 -13.012 1.00 0.00 H new ATOM 408 N ASN A 47 -12.306 -17.446 -6.952 1.00 0.00 N ATOM 409 CA ASN A 47 -12.939 -16.190 -6.498 1.00 0.00 C ATOM 410 C ASN A 47 -12.952 -15.121 -7.619 1.00 0.00 C ATOM 411 O ASN A 47 -14.014 -14.565 -7.942 1.00 0.00 O ATOM 412 CB ASN A 47 -12.186 -15.642 -5.256 1.00 0.00 C ATOM 413 CG ASN A 47 -12.153 -16.605 -4.063 1.00 0.00 C ATOM 414 OD1 ASN A 47 -13.077 -17.386 -3.850 1.00 0.00 O ATOM 415 ND2 ASN A 47 -11.086 -16.555 -3.279 1.00 0.00 N ATOM 0 H ASN A 47 -11.567 -17.770 -6.328 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.973 -16.411 -6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.162 -15.402 -5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.656 -14.710 -4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.016 -17.176 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.335 -15.896 -3.482 1.00 0.00 H new ATOM 422 N ALA A 48 -11.768 -14.877 -8.217 1.00 0.00 N ATOM 423 CA ALA A 48 -11.576 -13.862 -9.276 1.00 0.00 C ATOM 424 C ALA A 48 -10.163 -13.956 -9.880 1.00 0.00 C ATOM 425 O ALA A 48 -9.274 -14.588 -9.300 1.00 0.00 O ATOM 426 CB ALA A 48 -11.812 -12.435 -8.725 1.00 0.00 C ATOM 0 H ALA A 48 -10.913 -15.380 -7.979 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.308 -14.063 -10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.665 -11.708 -9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.831 -12.355 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.107 -12.235 -7.918 1.00 0.00 H new ATOM 432 N ILE A 49 -9.971 -13.326 -11.055 1.00 0.00 N ATOM 433 CA ILE A 49 -8.628 -13.101 -11.632 1.00 0.00 C ATOM 434 C ILE A 49 -7.843 -12.149 -10.704 1.00 0.00 C ATOM 435 O ILE A 49 -6.674 -12.397 -10.386 1.00 0.00 O ATOM 436 CB ILE A 49 -8.696 -12.551 -13.125 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.270 -12.199 -13.698 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.656 -11.342 -13.249 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.290 -13.367 -13.797 1.00 0.00 C ATOM 0 H ILE A 49 -10.733 -12.961 -11.627 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.106 -14.056 -11.695 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.099 -13.361 -13.733 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.394 -11.767 -14.691 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.826 -11.428 -13.069 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.674 -10.996 -14.283 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.660 -11.642 -12.949 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.310 -10.535 -12.603 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.342 -13.013 -14.203 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.125 -13.789 -12.806 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.702 -14.133 -14.453 1.00 0.00 H new ATOM 451 N GLY A 50 -8.540 -11.092 -10.228 1.00 0.00 N ATOM 452 CA GLY A 50 -7.959 -10.091 -9.325 1.00 0.00 C ATOM 453 C GLY A 50 -7.656 -10.628 -7.928 1.00 0.00 C ATOM 454 O GLY A 50 -6.931 -9.988 -7.171 1.00 0.00 O ATOM 0 H GLY A 50 -9.517 -10.916 -10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.038 -9.708 -9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.646 -9.249 -9.240 1.00 0.00 H new ATOM 458 N ASP A 51 -8.240 -11.795 -7.586 1.00 0.00 N ATOM 459 CA ASP A 51 -7.960 -12.524 -6.323 1.00 0.00 C ATOM 460 C ASP A 51 -6.496 -12.979 -6.304 1.00 0.00 C ATOM 461 O ASP A 51 -5.755 -12.712 -5.348 1.00 0.00 O ATOM 462 CB ASP A 51 -8.925 -13.737 -6.211 1.00 0.00 C ATOM 463 CG ASP A 51 -8.599 -14.723 -5.068 1.00 0.00 C ATOM 464 OD1 ASP A 51 -8.895 -14.405 -3.897 1.00 0.00 O ATOM 465 OD2 ASP A 51 -8.085 -15.835 -5.342 1.00 0.00 O ATOM 0 H ASP A 51 -8.924 -12.264 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.122 -11.869 -5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.940 -13.364 -6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.913 -14.281 -7.155 1.00 0.00 H new ATOM 470 N ALA A 52 -6.105 -13.659 -7.391 1.00 0.00 N ATOM 471 CA ALA A 52 -4.735 -14.148 -7.588 1.00 0.00 C ATOM 472 C ALA A 52 -3.761 -12.985 -7.809 1.00 0.00 C ATOM 473 O ALA A 52 -2.707 -12.937 -7.187 1.00 0.00 O ATOM 474 CB ALA A 52 -4.688 -15.122 -8.763 1.00 0.00 C ATOM 0 H ALA A 52 -6.734 -13.886 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.425 -14.674 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.667 -15.478 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.344 -15.969 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.020 -14.615 -9.669 1.00 0.00 H new ATOM 480 N VAL A 53 -4.148 -12.042 -8.695 1.00 0.00 N ATOM 481 CA VAL A 53 -3.332 -10.854 -9.043 1.00 0.00 C ATOM 482 C VAL A 53 -3.010 -9.998 -7.793 1.00 0.00 C ATOM 483 O VAL A 53 -1.911 -9.447 -7.685 1.00 0.00 O ATOM 484 CB VAL A 53 -4.041 -9.990 -10.161 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.331 -8.635 -10.405 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.138 -10.793 -11.485 1.00 0.00 C ATOM 0 H VAL A 53 -5.038 -12.082 -9.192 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.384 -11.211 -9.444 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.045 -9.765 -9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.859 -8.082 -11.182 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.330 -8.054 -9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.304 -8.814 -10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.629 -10.184 -12.245 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.137 -11.058 -11.824 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.717 -11.701 -11.318 1.00 0.00 H new ATOM 496 N SER A 54 -3.969 -9.925 -6.851 1.00 0.00 N ATOM 497 CA SER A 54 -3.789 -9.240 -5.551 1.00 0.00 C ATOM 498 C SER A 54 -2.707 -9.946 -4.715 1.00 0.00 C ATOM 499 O SER A 54 -1.833 -9.295 -4.140 1.00 0.00 O ATOM 500 CB SER A 54 -5.129 -9.201 -4.775 1.00 0.00 C ATOM 501 OG SER A 54 -4.990 -8.615 -3.491 1.00 0.00 O ATOM 0 H SER A 54 -4.894 -10.339 -6.967 1.00 0.00 H new ATOM 0 HA SER A 54 -3.465 -8.217 -5.741 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.864 -8.639 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.515 -10.215 -4.669 1.00 0.00 H new ATOM 0 HG SER A 54 -5.859 -8.610 -3.038 1.00 0.00 H new ATOM 507 N ALA A 55 -2.766 -11.286 -4.679 1.00 0.00 N ATOM 508 CA ALA A 55 -1.805 -12.114 -3.925 1.00 0.00 C ATOM 509 C ALA A 55 -0.394 -12.075 -4.560 1.00 0.00 C ATOM 510 O ALA A 55 0.609 -12.223 -3.852 1.00 0.00 O ATOM 511 CB ALA A 55 -2.325 -13.551 -3.813 1.00 0.00 C ATOM 0 H ALA A 55 -3.478 -11.827 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.712 -11.698 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.609 -14.155 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.283 -13.552 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.453 -13.970 -4.811 1.00 0.00 H new ATOM 517 N VAL A 56 -0.328 -11.868 -5.899 1.00 0.00 N ATOM 518 CA VAL A 56 0.948 -11.675 -6.620 1.00 0.00 C ATOM 519 C VAL A 56 1.530 -10.287 -6.285 1.00 0.00 C ATOM 520 O VAL A 56 2.717 -10.160 -5.987 1.00 0.00 O ATOM 521 CB VAL A 56 0.812 -11.785 -8.194 1.00 0.00 C ATOM 522 CG1 VAL A 56 2.190 -11.634 -8.873 1.00 0.00 C ATOM 523 CG2 VAL A 56 0.149 -13.102 -8.640 1.00 0.00 C ATOM 0 H VAL A 56 -1.151 -11.831 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 56 1.605 -12.479 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 56 0.161 -10.969 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.074 -11.713 -9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.614 -10.661 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.857 -12.421 -8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.081 -13.125 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.748 -13.945 -8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.851 -13.169 -8.212 1.00 0.00 H new ATOM 533 N SER A 57 0.654 -9.267 -6.331 1.00 0.00 N ATOM 534 CA SER A 57 1.025 -7.850 -6.151 1.00 0.00 C ATOM 535 C SER A 57 1.581 -7.605 -4.750 1.00 0.00 C ATOM 536 O SER A 57 2.615 -6.964 -4.597 1.00 0.00 O ATOM 537 CB SER A 57 -0.197 -6.934 -6.411 1.00 0.00 C ATOM 538 OG SER A 57 0.150 -5.558 -6.332 1.00 0.00 O ATOM 0 H SER A 57 -0.343 -9.404 -6.496 1.00 0.00 H new ATOM 0 HA SER A 57 1.804 -7.610 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.610 -7.149 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.978 -7.154 -5.683 1.00 0.00 H new ATOM 0 HG SER A 57 0.708 -5.317 -7.101 1.00 0.00 H new ATOM 544 N ARG A 58 0.887 -8.164 -3.743 1.00 0.00 N ATOM 545 CA ARG A 58 1.248 -8.004 -2.328 1.00 0.00 C ATOM 546 C ARG A 58 2.506 -8.803 -1.978 1.00 0.00 C ATOM 547 O ARG A 58 3.322 -8.339 -1.185 1.00 0.00 O ATOM 548 CB ARG A 58 0.061 -8.401 -1.406 1.00 0.00 C ATOM 549 CG ARG A 58 -1.150 -7.442 -1.496 1.00 0.00 C ATOM 550 CD ARG A 58 -0.779 -5.999 -1.096 1.00 0.00 C ATOM 551 NE ARG A 58 -1.888 -5.050 -1.318 1.00 0.00 N ATOM 552 CZ ARG A 58 -1.745 -3.728 -1.509 1.00 0.00 C ATOM 553 NH1 ARG A 58 -0.546 -3.158 -1.457 1.00 0.00 N ATOM 554 NH2 ARG A 58 -2.812 -2.981 -1.726 1.00 0.00 N ATOM 0 H ARG A 58 0.058 -8.740 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 58 1.471 -6.950 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.266 -9.408 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.410 -8.434 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.540 -7.447 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.947 -7.804 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.492 -5.979 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.090 -5.678 -1.670 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.836 -5.427 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.281 -3.725 -1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.452 -2.153 -1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.738 -3.408 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.710 -1.977 -1.872 1.00 0.00 H new ATOM 568 N ARG A 59 2.662 -10.006 -2.573 1.00 0.00 N ATOM 569 CA ARG A 59 3.851 -10.853 -2.331 1.00 0.00 C ATOM 570 C ARG A 59 5.108 -10.178 -2.905 1.00 0.00 C ATOM 571 O ARG A 59 6.119 -10.035 -2.217 1.00 0.00 O ATOM 572 CB ARG A 59 3.681 -12.278 -2.932 1.00 0.00 C ATOM 573 CG ARG A 59 4.837 -13.249 -2.572 1.00 0.00 C ATOM 574 CD ARG A 59 4.931 -13.505 -1.052 1.00 0.00 C ATOM 575 NE ARG A 59 6.215 -14.114 -0.660 1.00 0.00 N ATOM 576 CZ ARG A 59 6.923 -13.774 0.432 1.00 0.00 C ATOM 577 NH1 ARG A 59 6.518 -12.785 1.224 1.00 0.00 N ATOM 578 NH2 ARG A 59 8.053 -14.406 0.710 1.00 0.00 N ATOM 0 H ARG A 59 1.985 -10.410 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 59 3.962 -10.964 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.740 -12.701 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.609 -12.199 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.688 -14.196 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.781 -12.836 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.802 -12.563 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.114 -14.159 -0.746 1.00 0.00 H new ATOM 0 HE ARG A 59 6.594 -14.846 -1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.662 -12.275 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.064 -12.537 2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.386 -15.150 0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.591 -14.149 1.538 1.00 0.00 H new ATOM 592 N ALA A 60 4.997 -9.734 -4.165 1.00 0.00 N ATOM 593 CA ALA A 60 6.060 -9.007 -4.880 1.00 0.00 C ATOM 594 C ALA A 60 6.388 -7.680 -4.174 1.00 0.00 C ATOM 595 O ALA A 60 7.538 -7.256 -4.141 1.00 0.00 O ATOM 596 CB ALA A 60 5.637 -8.752 -6.333 1.00 0.00 C ATOM 0 H ALA A 60 4.156 -9.871 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 60 6.960 -9.621 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.429 -8.214 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.457 -9.704 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.724 -8.156 -6.347 1.00 0.00 H new ATOM 602 N ASP A 61 5.349 -7.057 -3.591 1.00 0.00 N ATOM 603 CA ASP A 61 5.468 -5.797 -2.834 1.00 0.00 C ATOM 604 C ASP A 61 6.315 -6.001 -1.559 1.00 0.00 C ATOM 605 O ASP A 61 7.114 -5.130 -1.198 1.00 0.00 O ATOM 606 CB ASP A 61 4.063 -5.263 -2.461 1.00 0.00 C ATOM 607 CG ASP A 61 4.094 -3.893 -1.767 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.530 -2.920 -2.415 1.00 0.00 O ATOM 609 OD2 ASP A 61 3.696 -3.786 -0.577 1.00 0.00 O ATOM 0 H ASP A 61 4.395 -7.416 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 61 5.970 -5.064 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.459 -5.190 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.571 -5.982 -1.806 1.00 0.00 H new ATOM 614 N GLU A 62 6.126 -7.164 -0.892 1.00 0.00 N ATOM 615 CA GLU A 62 6.935 -7.571 0.287 1.00 0.00 C ATOM 616 C GLU A 62 8.408 -7.791 -0.106 1.00 0.00 C ATOM 617 O GLU A 62 9.321 -7.495 0.674 1.00 0.00 O ATOM 618 CB GLU A 62 6.369 -8.868 0.928 1.00 0.00 C ATOM 619 CG GLU A 62 4.938 -8.746 1.494 1.00 0.00 C ATOM 620 CD GLU A 62 4.408 -10.068 2.075 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.135 -11.001 1.289 1.00 0.00 O ATOM 622 OE2 GLU A 62 4.276 -10.186 3.313 1.00 0.00 O ATOM 0 H GLU A 62 5.413 -7.845 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 62 6.880 -6.763 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.381 -9.660 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.036 -9.179 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.924 -7.982 2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.268 -8.408 0.704 1.00 0.00 H new ATOM 629 N GLU A 63 8.619 -8.298 -1.331 1.00 0.00 N ATOM 630 CA GLU A 63 9.964 -8.546 -1.891 1.00 0.00 C ATOM 631 C GLU A 63 10.612 -7.237 -2.403 1.00 0.00 C ATOM 632 O GLU A 63 11.789 -7.234 -2.781 1.00 0.00 O ATOM 633 CB GLU A 63 9.878 -9.589 -3.039 1.00 0.00 C ATOM 634 CG GLU A 63 9.162 -10.910 -2.669 1.00 0.00 C ATOM 635 CD GLU A 63 9.716 -11.578 -1.397 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.784 -12.222 -1.477 1.00 0.00 O ATOM 637 OE2 GLU A 63 9.097 -11.445 -0.316 1.00 0.00 O ATOM 0 H GLU A 63 7.861 -8.549 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 63 10.595 -8.941 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.359 -9.136 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.889 -9.822 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.099 -10.711 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.250 -11.607 -3.503 1.00 0.00 H new ATOM 644 N GLY A 64 9.823 -6.139 -2.425 1.00 0.00 N ATOM 645 CA GLY A 64 10.305 -4.827 -2.864 1.00 0.00 C ATOM 646 C GLY A 64 10.417 -4.710 -4.383 1.00 0.00 C ATOM 647 O GLY A 64 11.126 -3.836 -4.893 1.00 0.00 O ATOM 0 H GLY A 64 8.844 -6.145 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.629 -4.056 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.281 -4.637 -2.417 1.00 0.00 H new ATOM 651 N ALA A 65 9.741 -5.631 -5.096 1.00 0.00 N ATOM 652 CA ALA A 65 9.682 -5.652 -6.565 1.00 0.00 C ATOM 653 C ALA A 65 8.768 -4.526 -7.070 1.00 0.00 C ATOM 654 O ALA A 65 7.632 -4.378 -6.599 1.00 0.00 O ATOM 655 CB ALA A 65 9.200 -7.028 -7.061 1.00 0.00 C ATOM 0 H ALA A 65 9.215 -6.389 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 65 10.682 -5.484 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.161 -7.029 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.891 -7.800 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.206 -7.231 -6.662 1.00 0.00 H new ATOM 661 N ALA A 66 9.296 -3.727 -8.010 1.00 0.00 N ATOM 662 CA ALA A 66 8.583 -2.586 -8.605 1.00 0.00 C ATOM 663 C ALA A 66 7.412 -3.049 -9.479 1.00 0.00 C ATOM 664 O ALA A 66 6.416 -2.336 -9.619 1.00 0.00 O ATOM 665 CB ALA A 66 9.557 -1.743 -9.441 1.00 0.00 C ATOM 0 H ALA A 66 10.237 -3.856 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 66 8.177 -1.982 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.024 -0.899 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.359 -1.373 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.980 -2.357 -10.236 1.00 0.00 H new ATOM 671 N SER A 67 7.560 -4.243 -10.080 1.00 0.00 N ATOM 672 CA SER A 67 6.579 -4.802 -11.019 1.00 0.00 C ATOM 673 C SER A 67 6.482 -6.334 -10.888 1.00 0.00 C ATOM 674 O SER A 67 7.261 -6.967 -10.164 1.00 0.00 O ATOM 675 CB SER A 67 6.954 -4.397 -12.468 1.00 0.00 C ATOM 676 OG SER A 67 6.962 -2.987 -12.635 1.00 0.00 O ATOM 0 H SER A 67 8.367 -4.847 -9.926 1.00 0.00 H new ATOM 0 HA SER A 67 5.598 -4.394 -10.776 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.937 -4.798 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.244 -4.842 -13.165 1.00 0.00 H new ATOM 0 HG SER A 67 7.618 -2.743 -13.321 1.00 0.00 H new ATOM 682 N PHE A 68 5.479 -6.897 -11.579 1.00 0.00 N ATOM 683 CA PHE A 68 5.284 -8.350 -11.731 1.00 0.00 C ATOM 684 C PHE A 68 4.608 -8.617 -13.083 1.00 0.00 C ATOM 685 O PHE A 68 4.060 -7.700 -13.688 1.00 0.00 O ATOM 686 CB PHE A 68 4.417 -8.934 -10.573 1.00 0.00 C ATOM 687 CG PHE A 68 2.940 -8.483 -10.546 1.00 0.00 C ATOM 688 CD1 PHE A 68 1.953 -9.180 -11.267 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.538 -7.386 -9.795 1.00 0.00 C ATOM 690 CE1 PHE A 68 0.632 -8.787 -11.228 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.210 -6.994 -9.764 1.00 0.00 C ATOM 692 CZ PHE A 68 0.261 -7.692 -10.477 1.00 0.00 C ATOM 0 H PHE A 68 4.766 -6.346 -12.057 1.00 0.00 H new ATOM 0 HA PHE A 68 6.256 -8.842 -11.691 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.444 -10.022 -10.637 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.879 -8.659 -9.625 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.235 -10.037 -11.861 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.271 -6.831 -9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.112 -9.337 -11.786 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.917 -6.136 -9.177 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.773 -7.382 -10.448 1.00 0.00 H new ATOM 702 N TYR A 69 4.601 -9.877 -13.513 1.00 0.00 N ATOM 703 CA TYR A 69 3.901 -10.307 -14.729 1.00 0.00 C ATOM 704 C TYR A 69 3.563 -11.802 -14.616 1.00 0.00 C ATOM 705 O TYR A 69 4.426 -12.616 -14.310 1.00 0.00 O ATOM 706 CB TYR A 69 4.761 -10.002 -15.986 1.00 0.00 C ATOM 707 CG TYR A 69 4.255 -10.639 -17.293 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.055 -10.231 -17.890 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.979 -11.656 -17.928 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.607 -10.817 -19.062 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.533 -12.233 -19.099 1.00 0.00 C ATOM 712 CZ TYR A 69 3.349 -11.815 -19.659 1.00 0.00 C ATOM 713 OH TYR A 69 2.899 -12.407 -20.819 1.00 0.00 O ATOM 0 H TYR A 69 5.082 -10.634 -13.028 1.00 0.00 H new ATOM 0 HA TYR A 69 2.969 -9.751 -14.836 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.809 -8.921 -16.121 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.779 -10.346 -15.803 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.471 -9.448 -17.429 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.907 -11.996 -17.491 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.678 -10.493 -19.508 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.112 -13.011 -19.574 1.00 0.00 H new ATOM 0 HH TYR A 69 3.540 -13.089 -21.108 1.00 0.00 H new ATOM 723 N VAL A 70 2.291 -12.147 -14.862 1.00 0.00 N ATOM 724 CA VAL A 70 1.821 -13.537 -14.823 1.00 0.00 C ATOM 725 C VAL A 70 2.253 -14.278 -16.103 1.00 0.00 C ATOM 726 O VAL A 70 1.808 -13.941 -17.206 1.00 0.00 O ATOM 727 CB VAL A 70 0.258 -13.592 -14.636 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.278 -15.039 -14.723 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.151 -12.917 -13.297 1.00 0.00 C ATOM 0 H VAL A 70 1.562 -11.472 -15.093 1.00 0.00 H new ATOM 0 HA VAL A 70 2.275 -14.037 -13.967 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.198 -13.035 -15.455 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.360 -15.035 -14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.035 -15.459 -15.699 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.182 -15.645 -13.942 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.234 -12.963 -13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.324 -13.439 -12.466 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.169 -11.875 -13.302 1.00 0.00 H new ATOM 739 N VAL A 71 3.152 -15.261 -15.935 1.00 0.00 N ATOM 740 CA VAL A 71 3.677 -16.077 -17.047 1.00 0.00 C ATOM 741 C VAL A 71 2.917 -17.410 -17.178 1.00 0.00 C ATOM 742 O VAL A 71 2.848 -17.981 -18.278 1.00 0.00 O ATOM 743 CB VAL A 71 5.222 -16.343 -16.885 1.00 0.00 C ATOM 744 CG1 VAL A 71 6.016 -15.020 -16.927 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.538 -17.137 -15.592 1.00 0.00 C ATOM 0 H VAL A 71 3.537 -15.514 -15.025 1.00 0.00 H new ATOM 0 HA VAL A 71 3.521 -15.506 -17.962 1.00 0.00 H new ATOM 0 HB VAL A 71 5.536 -16.958 -17.728 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.079 -15.230 -16.813 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.845 -14.523 -17.882 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.685 -14.371 -16.116 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.613 -17.299 -15.518 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.196 -16.572 -14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.027 -18.099 -15.622 1.00 0.00 H new ATOM 755 N ASP A 72 2.335 -17.891 -16.064 1.00 0.00 N ATOM 756 CA ASP A 72 1.672 -19.201 -16.009 1.00 0.00 C ATOM 757 C ASP A 72 0.502 -19.180 -15.015 1.00 0.00 C ATOM 758 O ASP A 72 0.606 -18.599 -13.930 1.00 0.00 O ATOM 759 CB ASP A 72 2.689 -20.295 -15.595 1.00 0.00 C ATOM 760 CG ASP A 72 2.106 -21.719 -15.664 1.00 0.00 C ATOM 761 OD1 ASP A 72 2.181 -22.339 -16.747 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.568 -22.228 -14.651 1.00 0.00 O ATOM 0 H ASP A 72 2.313 -17.382 -15.180 1.00 0.00 H new ATOM 0 HA ASP A 72 1.281 -19.427 -17.001 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.563 -20.235 -16.244 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.032 -20.098 -14.579 1.00 0.00 H new ATOM 767 N THR A 73 -0.611 -19.814 -15.415 1.00 0.00 N ATOM 768 CA THR A 73 -1.770 -20.084 -14.556 1.00 0.00 C ATOM 769 C THR A 73 -2.234 -21.531 -14.821 1.00 0.00 C ATOM 770 O THR A 73 -2.807 -21.827 -15.877 1.00 0.00 O ATOM 771 CB THR A 73 -2.944 -19.073 -14.816 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.224 -18.979 -16.223 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.624 -17.673 -14.276 1.00 0.00 C ATOM 0 H THR A 73 -0.731 -20.160 -16.367 1.00 0.00 H new ATOM 0 HA THR A 73 -1.478 -19.959 -13.513 1.00 0.00 H new ATOM 0 HB THR A 73 -3.817 -19.456 -14.287 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.204 -19.874 -16.621 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.462 -17.005 -14.477 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.453 -17.728 -13.201 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.729 -17.290 -14.766 1.00 0.00 H new ATOM 781 N SER A 74 -1.950 -22.423 -13.867 1.00 0.00 N ATOM 782 CA SER A 74 -2.233 -23.864 -13.973 1.00 0.00 C ATOM 783 C SER A 74 -3.158 -24.286 -12.830 1.00 0.00 C ATOM 784 O SER A 74 -2.964 -23.852 -11.704 1.00 0.00 O ATOM 785 CB SER A 74 -0.909 -24.659 -13.912 1.00 0.00 C ATOM 786 OG SER A 74 -1.124 -26.060 -13.998 1.00 0.00 O ATOM 0 H SER A 74 -1.510 -22.163 -12.984 1.00 0.00 H new ATOM 0 HA SER A 74 -2.725 -24.073 -14.923 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.258 -24.342 -14.727 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.391 -24.428 -12.981 1.00 0.00 H new ATOM 0 HG SER A 74 -0.263 -26.526 -13.958 1.00 0.00 H new ATOM 792 N GLU A 75 -4.156 -25.139 -13.117 1.00 0.00 N ATOM 793 CA GLU A 75 -5.092 -25.643 -12.093 1.00 0.00 C ATOM 794 C GLU A 75 -4.377 -26.601 -11.113 1.00 0.00 C ATOM 795 O GLU A 75 -3.310 -27.150 -11.422 1.00 0.00 O ATOM 796 CB GLU A 75 -6.303 -26.354 -12.751 1.00 0.00 C ATOM 797 CG GLU A 75 -5.932 -27.558 -13.638 1.00 0.00 C ATOM 798 CD GLU A 75 -7.150 -28.282 -14.229 1.00 0.00 C ATOM 799 OE1 GLU A 75 -7.834 -27.701 -15.100 1.00 0.00 O ATOM 800 OE2 GLU A 75 -7.408 -29.440 -13.854 1.00 0.00 O ATOM 0 H GLU A 75 -4.337 -25.497 -14.055 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.460 -24.785 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.980 -26.692 -11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.850 -25.629 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.292 -27.216 -14.452 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.348 -28.266 -13.050 1.00 0.00 H new ATOM 807 N PHE A 76 -4.987 -26.786 -9.935 1.00 0.00 N ATOM 808 CA PHE A 76 -4.529 -27.748 -8.923 1.00 0.00 C ATOM 809 C PHE A 76 -4.962 -29.158 -9.360 1.00 0.00 C ATOM 810 O PHE A 76 -4.244 -30.142 -9.160 1.00 0.00 O ATOM 811 CB PHE A 76 -5.128 -27.371 -7.540 1.00 0.00 C ATOM 812 CG PHE A 76 -4.616 -28.206 -6.362 1.00 0.00 C ATOM 813 CD1 PHE A 76 -3.394 -27.909 -5.754 1.00 0.00 C ATOM 814 CD2 PHE A 76 -5.349 -29.286 -5.865 1.00 0.00 C ATOM 815 CE1 PHE A 76 -2.929 -28.659 -4.687 1.00 0.00 C ATOM 816 CE2 PHE A 76 -4.882 -30.033 -4.799 1.00 0.00 C ATOM 817 CZ PHE A 76 -3.672 -29.719 -4.211 1.00 0.00 C ATOM 0 H PHE A 76 -5.820 -26.268 -9.655 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.443 -27.727 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.913 -26.321 -7.342 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.212 -27.470 -7.592 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.804 -27.083 -6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.295 -29.542 -6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.983 -28.414 -4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.464 -30.863 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.308 -30.303 -3.379 1.00 0.00 H new ATOM 827 N GLY A 77 -6.151 -29.219 -9.980 1.00 0.00 N ATOM 828 CA GLY A 77 -6.699 -30.447 -10.537 1.00 0.00 C ATOM 829 C GLY A 77 -8.198 -30.506 -10.322 1.00 0.00 C ATOM 830 O GLY A 77 -8.966 -29.919 -11.085 1.00 0.00 O ATOM 0 H GLY A 77 -6.756 -28.408 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.476 -30.501 -11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.224 -31.309 -10.068 1.00 0.00 H new ATOM 834 N ASN A 78 -8.609 -31.192 -9.244 1.00 0.00 N ATOM 835 CA ASN A 78 -10.027 -31.377 -8.879 1.00 0.00 C ATOM 836 C ASN A 78 -10.538 -30.187 -8.037 1.00 0.00 C ATOM 837 O ASN A 78 -11.746 -29.950 -7.963 1.00 0.00 O ATOM 838 CB ASN A 78 -10.212 -32.720 -8.122 1.00 0.00 C ATOM 839 CG ASN A 78 -9.759 -33.931 -8.947 1.00 0.00 C ATOM 840 OD1 ASN A 78 -10.540 -34.531 -9.681 1.00 0.00 O ATOM 841 ND2 ASN A 78 -8.486 -34.292 -8.840 1.00 0.00 N ATOM 0 H ASN A 78 -7.962 -31.639 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.621 -31.413 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.647 -32.688 -7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.262 -32.840 -7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.134 -35.086 -9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.860 -33.775 -8.223 1.00 0.00 H new ATOM 848 N SER A 79 -9.600 -29.451 -7.410 1.00 0.00 N ATOM 849 CA SER A 79 -9.906 -28.234 -6.642 1.00 0.00 C ATOM 850 C SER A 79 -10.169 -27.038 -7.576 1.00 0.00 C ATOM 851 O SER A 79 -9.627 -26.969 -8.688 1.00 0.00 O ATOM 852 CB SER A 79 -8.732 -27.907 -5.688 1.00 0.00 C ATOM 853 OG SER A 79 -8.483 -28.968 -4.781 1.00 0.00 O ATOM 0 H SER A 79 -8.608 -29.686 -7.423 1.00 0.00 H new ATOM 0 HA SER A 79 -10.810 -28.416 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.833 -27.709 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.958 -26.998 -5.131 1.00 0.00 H new ATOM 0 HG SER A 79 -7.561 -29.282 -4.890 1.00 0.00 H new ATOM 859 N GLY A 80 -10.995 -26.087 -7.087 1.00 0.00 N ATOM 860 CA GLY A 80 -11.249 -24.818 -7.783 1.00 0.00 C ATOM 861 C GLY A 80 -10.192 -23.764 -7.457 1.00 0.00 C ATOM 862 O GLY A 80 -10.512 -22.611 -7.142 1.00 0.00 O ATOM 0 H GLY A 80 -11.498 -26.181 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.267 -24.992 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.233 -24.442 -7.504 1.00 0.00 H new ATOM 866 N ASN A 81 -8.923 -24.187 -7.542 1.00 0.00 N ATOM 867 CA ASN A 81 -7.742 -23.367 -7.259 1.00 0.00 C ATOM 868 C ASN A 81 -6.754 -23.516 -8.420 1.00 0.00 C ATOM 869 O ASN A 81 -6.298 -24.613 -8.716 1.00 0.00 O ATOM 870 CB ASN A 81 -7.091 -23.802 -5.918 1.00 0.00 C ATOM 871 CG ASN A 81 -5.743 -23.123 -5.645 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.683 -22.026 -5.097 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.646 -23.781 -6.013 1.00 0.00 N ATOM 0 H ASN A 81 -8.685 -25.140 -7.818 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.030 -22.320 -7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.775 -23.575 -5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.950 -24.883 -5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.726 -23.375 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.725 -24.691 -6.467 1.00 0.00 H new ATOM 880 N TRP A 82 -6.455 -22.404 -9.070 1.00 0.00 N ATOM 881 CA TRP A 82 -5.498 -22.305 -10.173 1.00 0.00 C ATOM 882 C TRP A 82 -4.243 -21.543 -9.684 1.00 0.00 C ATOM 883 O TRP A 82 -4.287 -20.332 -9.441 1.00 0.00 O ATOM 884 CB TRP A 82 -6.181 -21.632 -11.413 1.00 0.00 C ATOM 885 CG TRP A 82 -6.987 -20.378 -11.104 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.226 -20.314 -10.509 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.617 -19.017 -11.377 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.618 -19.009 -10.377 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.657 -18.197 -10.900 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.505 -18.415 -11.963 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.616 -16.817 -10.997 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.469 -17.040 -12.061 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.519 -16.255 -11.576 1.00 0.00 C ATOM 0 H TRP A 82 -6.885 -21.508 -8.840 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.175 -23.295 -10.496 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.410 -21.379 -12.141 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.839 -22.361 -11.886 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.805 -21.169 -10.192 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.491 -18.694 -9.954 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.687 -19.014 -12.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.426 -16.207 -10.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.616 -16.562 -12.520 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.459 -15.180 -11.662 1.00 0.00 H new ATOM 904 N ARG A 83 -3.131 -22.286 -9.515 1.00 0.00 N ATOM 905 CA ARG A 83 -1.841 -21.728 -9.068 1.00 0.00 C ATOM 906 C ARG A 83 -1.314 -20.750 -10.137 1.00 0.00 C ATOM 907 O ARG A 83 -1.577 -20.926 -11.334 1.00 0.00 O ATOM 908 CB ARG A 83 -0.807 -22.879 -8.771 1.00 0.00 C ATOM 909 CG ARG A 83 -0.164 -23.572 -10.015 1.00 0.00 C ATOM 910 CD ARG A 83 1.176 -22.927 -10.456 1.00 0.00 C ATOM 911 NE ARG A 83 1.611 -23.377 -11.794 1.00 0.00 N ATOM 912 CZ ARG A 83 2.574 -24.273 -12.048 1.00 0.00 C ATOM 913 NH1 ARG A 83 3.137 -24.964 -11.063 1.00 0.00 N ATOM 914 NH2 ARG A 83 2.944 -24.487 -13.299 1.00 0.00 N ATOM 0 H ARG A 83 -3.103 -23.291 -9.685 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.983 -21.181 -8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.006 -22.469 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.307 -23.642 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.005 -24.625 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.868 -23.534 -10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.069 -21.842 -10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.949 -23.169 -9.726 1.00 0.00 H new ATOM 0 HE ARG A 83 1.135 -22.968 -12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.837 -24.815 -10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.869 -25.643 -11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.497 -23.972 -14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.676 -25.167 -13.505 1.00 0.00 H new ATOM 928 N VAL A 84 -0.570 -19.734 -9.700 1.00 0.00 N ATOM 929 CA VAL A 84 -0.062 -18.675 -10.583 1.00 0.00 C ATOM 930 C VAL A 84 1.455 -18.539 -10.417 1.00 0.00 C ATOM 931 O VAL A 84 1.931 -18.184 -9.334 1.00 0.00 O ATOM 932 CB VAL A 84 -0.749 -17.287 -10.276 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.222 -16.161 -11.195 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.289 -17.398 -10.353 1.00 0.00 C ATOM 0 H VAL A 84 -0.300 -19.619 -8.723 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.300 -18.956 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.481 -17.016 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.723 -15.225 -10.948 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.852 -16.047 -11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.423 -16.416 -12.235 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.735 -16.427 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.581 -17.717 -11.353 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.638 -18.128 -9.623 1.00 0.00 H new ATOM 944 N VAL A 85 2.208 -18.857 -11.482 1.00 0.00 N ATOM 945 CA VAL A 85 3.622 -18.486 -11.579 1.00 0.00 C ATOM 946 C VAL A 85 3.685 -17.098 -12.227 1.00 0.00 C ATOM 947 O VAL A 85 3.137 -16.892 -13.325 1.00 0.00 O ATOM 948 CB VAL A 85 4.471 -19.510 -12.418 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.979 -19.160 -12.374 1.00 0.00 C ATOM 950 CG2 VAL A 85 4.207 -20.958 -11.947 1.00 0.00 C ATOM 0 H VAL A 85 1.856 -19.372 -12.289 1.00 0.00 H new ATOM 0 HA VAL A 85 4.054 -18.487 -10.578 1.00 0.00 H new ATOM 0 HB VAL A 85 4.155 -19.438 -13.459 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.538 -19.886 -12.963 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.133 -18.163 -12.786 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.328 -19.184 -11.342 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.805 -21.649 -12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.479 -21.054 -10.896 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.150 -21.194 -12.071 1.00 0.00 H new ATOM 960 N ALA A 86 4.331 -16.161 -11.543 1.00 0.00 N ATOM 961 CA ALA A 86 4.439 -14.775 -11.984 1.00 0.00 C ATOM 962 C ALA A 86 5.840 -14.254 -11.675 1.00 0.00 C ATOM 963 O ALA A 86 6.265 -14.275 -10.517 1.00 0.00 O ATOM 964 CB ALA A 86 3.356 -13.919 -11.310 1.00 0.00 C ATOM 0 H ALA A 86 4.800 -16.344 -10.656 1.00 0.00 H new ATOM 0 HA ALA A 86 4.281 -14.716 -13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.447 -12.886 -11.647 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.371 -14.303 -11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.481 -13.960 -10.228 1.00 0.00 H new ATOM 970 N ASP A 87 6.557 -13.810 -12.710 1.00 0.00 N ATOM 971 CA ASP A 87 7.923 -13.301 -12.567 1.00 0.00 C ATOM 972 C ASP A 87 7.896 -11.841 -12.091 1.00 0.00 C ATOM 973 O ASP A 87 7.035 -11.060 -12.496 1.00 0.00 O ATOM 974 CB ASP A 87 8.737 -13.500 -13.880 1.00 0.00 C ATOM 975 CG ASP A 87 8.200 -12.831 -15.161 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.081 -12.304 -15.176 1.00 0.00 O ATOM 977 OD2 ASP A 87 8.913 -12.872 -16.186 1.00 0.00 O ATOM 0 H ASP A 87 6.208 -13.793 -13.668 1.00 0.00 H new ATOM 0 HA ASP A 87 8.442 -13.878 -11.802 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.748 -13.132 -13.707 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.815 -14.571 -14.068 1.00 0.00 H new ATOM 982 N VAL A 88 8.825 -11.504 -11.190 1.00 0.00 N ATOM 983 CA VAL A 88 8.849 -10.221 -10.468 1.00 0.00 C ATOM 984 C VAL A 88 10.097 -9.410 -10.858 1.00 0.00 C ATOM 985 O VAL A 88 11.201 -9.956 -10.977 1.00 0.00 O ATOM 986 CB VAL A 88 8.768 -10.451 -8.909 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.378 -10.996 -8.514 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.878 -11.407 -8.406 1.00 0.00 C ATOM 0 H VAL A 88 9.595 -12.123 -10.936 1.00 0.00 H new ATOM 0 HA VAL A 88 7.971 -9.643 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 88 8.923 -9.484 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.340 -11.149 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.610 -10.280 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.202 -11.945 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.785 -11.537 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.776 -12.374 -8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.855 -10.983 -8.637 1.00 0.00 H new ATOM 998 N TYR A 89 9.890 -8.091 -11.057 1.00 0.00 N ATOM 999 CA TYR A 89 10.867 -7.175 -11.669 1.00 0.00 C ATOM 1000 C TYR A 89 11.262 -6.073 -10.676 1.00 0.00 C ATOM 1001 O TYR A 89 10.403 -5.536 -9.965 1.00 0.00 O ATOM 1002 CB TYR A 89 10.258 -6.506 -12.943 1.00 0.00 C ATOM 1003 CG TYR A 89 9.796 -7.490 -14.028 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.612 -8.224 -13.878 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.527 -7.675 -15.201 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.190 -9.099 -14.849 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.100 -8.552 -16.173 1.00 0.00 C ATOM 1008 CZ TYR A 89 8.935 -9.258 -15.993 1.00 0.00 C ATOM 1009 OH TYR A 89 8.509 -10.123 -16.965 1.00 0.00 O ATOM 0 H TYR A 89 9.021 -7.627 -10.791 1.00 0.00 H new ATOM 0 HA TYR A 89 11.748 -7.755 -11.943 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.409 -5.892 -12.643 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.000 -5.834 -13.374 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.021 -8.100 -12.983 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.443 -7.122 -15.350 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.277 -9.660 -14.714 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.679 -8.685 -17.075 1.00 0.00 H new ATOM 0 HH TYR A 89 8.789 -11.034 -16.737 1.00 0.00 H new ATOM 1019 N LYS A 90 12.557 -5.740 -10.656 1.00 0.00 N ATOM 1020 CA LYS A 90 13.090 -4.581 -9.921 1.00 0.00 C ATOM 1021 C LYS A 90 13.209 -3.372 -10.867 1.00 0.00 C ATOM 1022 O LYS A 90 13.232 -3.536 -12.097 1.00 0.00 O ATOM 1023 CB LYS A 90 14.474 -4.918 -9.289 1.00 0.00 C ATOM 1024 CG LYS A 90 14.420 -5.927 -8.116 1.00 0.00 C ATOM 1025 CD LYS A 90 13.507 -5.441 -6.961 1.00 0.00 C ATOM 1026 CE LYS A 90 13.527 -6.359 -5.725 1.00 0.00 C ATOM 1027 NZ LYS A 90 14.825 -6.312 -5.007 1.00 0.00 N ATOM 0 H LYS A 90 13.273 -6.270 -11.153 1.00 0.00 H new ATOM 0 HA LYS A 90 12.402 -4.332 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.125 -5.319 -10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.931 -3.994 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.058 -6.887 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.428 -6.091 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.816 -4.439 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.483 -5.363 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.728 -6.065 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.322 -7.384 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.783 -6.933 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.584 -6.633 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.018 -5.337 -4.702 1.00 0.00 H new ATOM 1041 N ALA A 91 13.256 -2.164 -10.285 1.00 0.00 N ATOM 1042 CA ALA A 91 13.457 -0.919 -11.040 1.00 0.00 C ATOM 1043 C ALA A 91 14.954 -0.524 -10.974 1.00 0.00 C ATOM 1044 O ALA A 91 15.713 -0.871 -11.901 1.00 0.00 O ATOM 1045 CB ALA A 91 12.536 0.196 -10.495 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.377 0.096 -9.969 1.00 0.00 O ATOM 0 H ALA A 91 13.156 -2.023 -9.280 1.00 0.00 H new ATOM 0 HA ALA A 91 13.188 -1.068 -12.086 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.697 1.111 -11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.495 -0.113 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.766 0.377 -9.445 1.00 0.00 H new TER 1052 ALA A 91