USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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 37 TYR OH : rot 180:sc= -0.59 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -108:sc= 1.25 (180deg=-0.211) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 30 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.044) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.669 K(o=-0.67,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -76:sc= 0.396 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -150:sc= 0.35 USER MOD Single : A 81 ASN : amide:sc=-0.000348 X(o=-0.00035,f=0) USER MOD Single : A 89 TYR OH : rot 135:sc= 0.71 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.976 -1.803 -3.621 1.00 0.00 N ATOM 20 CA ALA A 22 1.771 -3.143 -4.219 1.00 0.00 C ATOM 21 C ALA A 22 2.262 -3.138 -5.679 1.00 0.00 C ATOM 22 O ALA A 22 1.964 -2.190 -6.419 1.00 0.00 O ATOM 23 CB ALA A 22 0.297 -3.567 -4.140 1.00 0.00 C ATOM 0 HA ALA A 22 2.350 -3.871 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.178 -4.554 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.017 -3.601 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.318 -2.848 -4.681 1.00 0.00 H new ATOM 29 N ALA A 23 3.015 -4.184 -6.070 1.00 0.00 N ATOM 30 CA ALA A 23 3.701 -4.243 -7.379 1.00 0.00 C ATOM 31 C ALA A 23 2.718 -4.129 -8.561 1.00 0.00 C ATOM 32 O ALA A 23 1.701 -4.822 -8.598 1.00 0.00 O ATOM 33 CB ALA A 23 4.519 -5.530 -7.495 1.00 0.00 C ATOM 0 H ALA A 23 3.166 -5.010 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 23 4.370 -3.384 -7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.018 -5.558 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.266 -5.559 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.857 -6.391 -7.402 1.00 0.00 H new ATOM 39 N THR A 24 3.034 -3.232 -9.502 1.00 0.00 N ATOM 40 CA THR A 24 2.227 -3.002 -10.710 1.00 0.00 C ATOM 41 C THR A 24 2.444 -4.139 -11.721 1.00 0.00 C ATOM 42 O THR A 24 3.541 -4.692 -11.807 1.00 0.00 O ATOM 43 CB THR A 24 2.624 -1.634 -11.366 1.00 0.00 C ATOM 44 OG1 THR A 24 2.568 -0.596 -10.375 1.00 0.00 O ATOM 45 CG2 THR A 24 1.717 -1.248 -12.555 1.00 0.00 C ATOM 0 H THR A 24 3.863 -2.640 -9.448 1.00 0.00 H new ATOM 0 HA THR A 24 1.175 -2.975 -10.426 1.00 0.00 H new ATOM 0 HB THR A 24 3.636 -1.749 -11.755 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.818 0.259 -10.783 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.043 -0.292 -12.966 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.782 -2.015 -13.326 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.685 -1.163 -12.213 1.00 0.00 H new ATOM 53 N GLU A 25 1.393 -4.502 -12.464 1.00 0.00 N ATOM 54 CA GLU A 25 1.532 -5.410 -13.600 1.00 0.00 C ATOM 55 C GLU A 25 2.237 -4.664 -14.743 1.00 0.00 C ATOM 56 O GLU A 25 1.751 -3.635 -15.225 1.00 0.00 O ATOM 57 CB GLU A 25 0.153 -5.937 -14.057 1.00 0.00 C ATOM 58 CG GLU A 25 0.210 -6.853 -15.288 1.00 0.00 C ATOM 59 CD GLU A 25 -1.159 -7.424 -15.671 1.00 0.00 C ATOM 60 OE1 GLU A 25 -1.966 -6.699 -16.293 1.00 0.00 O ATOM 61 OE2 GLU A 25 -1.445 -8.593 -15.337 1.00 0.00 O ATOM 0 H GLU A 25 0.440 -4.180 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 25 2.128 -6.274 -13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.307 -6.482 -13.233 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.494 -5.088 -14.279 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.614 -6.294 -16.132 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.899 -7.675 -15.091 1.00 0.00 H new ATOM 68 N LEU A 26 3.400 -5.181 -15.129 1.00 0.00 N ATOM 69 CA LEU A 26 4.210 -4.637 -16.215 1.00 0.00 C ATOM 70 C LEU A 26 3.654 -5.164 -17.549 1.00 0.00 C ATOM 71 O LEU A 26 3.271 -6.342 -17.639 1.00 0.00 O ATOM 72 CB LEU A 26 5.696 -5.058 -16.006 1.00 0.00 C ATOM 73 CG LEU A 26 6.751 -4.291 -16.852 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.721 -2.773 -16.545 1.00 0.00 C ATOM 75 CD2 LEU A 26 8.164 -4.877 -16.629 1.00 0.00 C ATOM 0 H LEU A 26 3.813 -6.003 -14.689 1.00 0.00 H new ATOM 0 HA LEU A 26 4.169 -3.548 -16.227 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.943 -4.931 -14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.786 -6.121 -16.228 1.00 0.00 H new ATOM 0 HG LEU A 26 6.495 -4.419 -17.904 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.470 -2.264 -17.152 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.734 -2.374 -16.777 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.939 -2.611 -15.489 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.886 -4.325 -17.231 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.430 -4.793 -15.575 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.173 -5.926 -16.923 1.00 0.00 H new ATOM 87 N THR A 27 3.584 -4.285 -18.564 1.00 0.00 N ATOM 88 CA THR A 27 3.017 -4.624 -19.876 1.00 0.00 C ATOM 89 C THR A 27 3.872 -5.711 -20.562 1.00 0.00 C ATOM 90 O THR A 27 5.098 -5.675 -20.418 1.00 0.00 O ATOM 91 CB THR A 27 2.924 -3.362 -20.800 1.00 0.00 C ATOM 92 OG1 THR A 27 4.236 -2.809 -21.014 1.00 0.00 O ATOM 93 CG2 THR A 27 2.000 -2.277 -20.206 1.00 0.00 C ATOM 0 H THR A 27 3.918 -3.324 -18.496 1.00 0.00 H new ATOM 0 HA THR A 27 2.008 -5.004 -19.715 1.00 0.00 H new ATOM 0 HB THR A 27 2.496 -3.685 -21.749 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.169 -2.022 -21.594 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.965 -1.420 -20.879 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.996 -2.682 -20.082 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.386 -1.961 -19.237 1.00 0.00 H new ATOM 101 N PRO A 28 3.239 -6.700 -21.285 1.00 0.00 N ATOM 102 CA PRO A 28 3.956 -7.736 -22.089 1.00 0.00 C ATOM 103 C PRO A 28 5.158 -7.213 -22.916 1.00 0.00 C ATOM 104 O PRO A 28 6.127 -7.944 -23.142 1.00 0.00 O ATOM 105 CB PRO A 28 2.834 -8.264 -23.015 1.00 0.00 C ATOM 106 CG PRO A 28 1.604 -8.191 -22.170 1.00 0.00 C ATOM 107 CD PRO A 28 1.761 -6.938 -21.320 1.00 0.00 C ATOM 0 HA PRO A 28 4.421 -8.483 -21.446 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.738 -7.654 -23.913 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.034 -9.284 -23.342 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.708 -8.135 -22.788 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.505 -9.078 -21.545 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.232 -6.091 -21.757 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.357 -7.083 -20.318 1.00 0.00 H new ATOM 115 N GLU A 29 5.081 -5.942 -23.343 1.00 0.00 N ATOM 116 CA GLU A 29 6.142 -5.288 -24.124 1.00 0.00 C ATOM 117 C GLU A 29 7.358 -4.953 -23.242 1.00 0.00 C ATOM 118 O GLU A 29 8.485 -5.362 -23.547 1.00 0.00 O ATOM 119 CB GLU A 29 5.588 -4.015 -24.815 1.00 0.00 C ATOM 120 CG GLU A 29 4.316 -4.253 -25.656 1.00 0.00 C ATOM 121 CD GLU A 29 4.457 -5.393 -26.687 1.00 0.00 C ATOM 122 OE1 GLU A 29 5.163 -5.209 -27.705 1.00 0.00 O ATOM 123 OE2 GLU A 29 3.876 -6.485 -26.481 1.00 0.00 O ATOM 0 H GLU A 29 4.280 -5.339 -23.156 1.00 0.00 H new ATOM 0 HA GLU A 29 6.479 -5.982 -24.894 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.371 -3.267 -24.053 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.363 -3.599 -25.459 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.486 -4.481 -24.987 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.060 -3.332 -26.179 1.00 0.00 H new ATOM 130 N GLN A 30 7.120 -4.218 -22.135 1.00 0.00 N ATOM 131 CA GLN A 30 8.195 -3.807 -21.198 1.00 0.00 C ATOM 132 C GLN A 30 8.803 -5.025 -20.475 1.00 0.00 C ATOM 133 O GLN A 30 9.985 -5.028 -20.141 1.00 0.00 O ATOM 134 CB GLN A 30 7.668 -2.785 -20.158 1.00 0.00 C ATOM 135 CG GLN A 30 7.153 -1.448 -20.731 1.00 0.00 C ATOM 136 CD GLN A 30 8.206 -0.685 -21.531 1.00 0.00 C ATOM 137 OE1 GLN A 30 8.298 -0.818 -22.751 1.00 0.00 O ATOM 138 NE2 GLN A 30 9.021 0.105 -20.846 1.00 0.00 N ATOM 0 H GLN A 30 6.191 -3.895 -21.865 1.00 0.00 H new ATOM 0 HA GLN A 30 8.976 -3.331 -21.791 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.860 -3.252 -19.595 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.468 -2.571 -19.450 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.292 -1.643 -21.371 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.805 -0.820 -19.911 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.917 0.192 -19.835 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.752 0.626 -21.330 1.00 0.00 H new ATOM 147 N ALA A 31 7.970 -6.051 -20.252 1.00 0.00 N ATOM 148 CA ALA A 31 8.380 -7.312 -19.611 1.00 0.00 C ATOM 149 C ALA A 31 9.256 -8.154 -20.557 1.00 0.00 C ATOM 150 O ALA A 31 10.143 -8.885 -20.110 1.00 0.00 O ATOM 151 CB ALA A 31 7.137 -8.093 -19.162 1.00 0.00 C ATOM 0 H ALA A 31 6.984 -6.031 -20.513 1.00 0.00 H new ATOM 0 HA ALA A 31 8.982 -7.081 -18.733 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.445 -9.025 -18.688 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.569 -7.494 -18.450 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.514 -8.315 -20.028 1.00 0.00 H new ATOM 157 N ALA A 32 8.992 -8.036 -21.869 1.00 0.00 N ATOM 158 CA ALA A 32 9.791 -8.708 -22.914 1.00 0.00 C ATOM 159 C ALA A 32 11.151 -8.002 -23.106 1.00 0.00 C ATOM 160 O ALA A 32 12.166 -8.641 -23.421 1.00 0.00 O ATOM 161 CB ALA A 32 9.007 -8.745 -24.234 1.00 0.00 C ATOM 0 H ALA A 32 8.223 -7.476 -22.236 1.00 0.00 H new ATOM 0 HA ALA A 32 9.988 -9.732 -22.595 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.604 -9.242 -24.998 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.075 -9.292 -24.089 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.784 -7.727 -24.553 1.00 0.00 H new ATOM 167 N ALA A 33 11.149 -6.673 -22.910 1.00 0.00 N ATOM 168 CA ALA A 33 12.353 -5.831 -23.050 1.00 0.00 C ATOM 169 C ALA A 33 13.297 -6.003 -21.842 1.00 0.00 C ATOM 170 O ALA A 33 14.521 -6.107 -21.998 1.00 0.00 O ATOM 171 CB ALA A 33 11.941 -4.363 -23.219 1.00 0.00 C ATOM 0 H ALA A 33 10.313 -6.150 -22.650 1.00 0.00 H new ATOM 0 HA ALA A 33 12.899 -6.149 -23.938 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.833 -3.744 -23.322 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.322 -4.259 -24.110 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.375 -4.041 -22.345 1.00 0.00 H new ATOM 177 N LEU A 34 12.703 -6.033 -20.638 1.00 0.00 N ATOM 178 CA LEU A 34 13.431 -6.229 -19.369 1.00 0.00 C ATOM 179 C LEU A 34 13.589 -7.730 -19.075 1.00 0.00 C ATOM 180 O LEU A 34 12.952 -8.574 -19.719 1.00 0.00 O ATOM 181 CB LEU A 34 12.671 -5.537 -18.200 1.00 0.00 C ATOM 182 CG LEU A 34 12.498 -3.988 -18.297 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.642 -3.441 -17.132 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.863 -3.273 -18.364 1.00 0.00 C ATOM 0 H LEU A 34 11.697 -5.921 -20.515 1.00 0.00 H new ATOM 0 HA LEU A 34 14.420 -5.780 -19.462 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.681 -5.986 -18.125 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.195 -5.764 -17.272 1.00 0.00 H new ATOM 0 HG LEU A 34 11.967 -3.778 -19.225 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.542 -2.360 -17.230 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.654 -3.901 -17.159 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.126 -3.676 -16.184 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.707 -2.196 -18.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.438 -3.501 -17.466 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.410 -3.615 -19.242 1.00 0.00 H new ATOM 196 N LYS A 35 14.453 -8.049 -18.102 1.00 0.00 N ATOM 197 CA LYS A 35 14.671 -9.426 -17.632 1.00 0.00 C ATOM 198 C LYS A 35 14.332 -9.502 -16.128 1.00 0.00 C ATOM 199 O LYS A 35 14.873 -8.711 -15.347 1.00 0.00 O ATOM 200 CB LYS A 35 16.141 -9.860 -17.906 1.00 0.00 C ATOM 201 CG LYS A 35 16.474 -11.314 -17.485 1.00 0.00 C ATOM 202 CD LYS A 35 17.842 -11.800 -18.016 1.00 0.00 C ATOM 203 CE LYS A 35 17.900 -11.816 -19.557 1.00 0.00 C ATOM 204 NZ LYS A 35 19.190 -12.333 -20.071 1.00 0.00 N ATOM 0 H LYS A 35 15.023 -7.357 -17.616 1.00 0.00 H new ATOM 0 HA LYS A 35 14.020 -10.113 -18.173 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.347 -9.748 -18.971 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.811 -9.181 -17.379 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.468 -11.381 -16.397 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.692 -11.980 -17.850 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.629 -11.152 -17.632 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.041 -12.802 -17.637 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.087 -12.431 -19.942 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.741 -10.806 -19.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.178 -12.323 -21.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.966 -11.732 -19.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.332 -13.307 -19.735 1.00 0.00 H new ATOM 218 N PRO A 36 13.416 -10.425 -15.698 1.00 0.00 N ATOM 219 CA PRO A 36 13.049 -10.579 -14.270 1.00 0.00 C ATOM 220 C PRO A 36 14.154 -11.296 -13.465 1.00 0.00 C ATOM 221 O PRO A 36 14.857 -12.169 -13.994 1.00 0.00 O ATOM 222 CB PRO A 36 11.760 -11.418 -14.336 1.00 0.00 C ATOM 223 CG PRO A 36 11.933 -12.263 -15.563 1.00 0.00 C ATOM 224 CD PRO A 36 12.670 -11.391 -16.558 1.00 0.00 C ATOM 0 HA PRO A 36 12.916 -9.625 -13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.638 -12.032 -13.444 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.876 -10.785 -14.410 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.499 -13.167 -15.340 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.969 -12.581 -15.959 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.346 -11.977 -17.181 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.981 -10.879 -17.230 1.00 0.00 H new ATOM 232 N TYR A 37 14.307 -10.911 -12.191 1.00 0.00 N ATOM 233 CA TYR A 37 15.324 -11.497 -11.295 1.00 0.00 C ATOM 234 C TYR A 37 14.830 -12.826 -10.679 1.00 0.00 C ATOM 235 O TYR A 37 15.638 -13.669 -10.278 1.00 0.00 O ATOM 236 CB TYR A 37 15.739 -10.478 -10.188 1.00 0.00 C ATOM 237 CG TYR A 37 14.653 -10.127 -9.145 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.641 -9.209 -9.430 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.654 -10.710 -7.872 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.674 -8.888 -8.490 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.690 -10.395 -6.932 1.00 0.00 C ATOM 242 CZ TYR A 37 12.702 -9.487 -7.243 1.00 0.00 C ATOM 243 OH TYR A 37 11.745 -9.165 -6.301 1.00 0.00 O ATOM 0 H TYR A 37 13.736 -10.190 -11.751 1.00 0.00 H new ATOM 0 HA TYR A 37 16.208 -11.723 -11.891 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.605 -10.878 -9.660 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.060 -9.556 -10.673 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.611 -8.739 -10.402 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.425 -11.422 -7.618 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.901 -8.173 -8.730 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.712 -10.859 -5.957 1.00 0.00 H new ATOM 0 HH TYR A 37 11.909 -9.676 -5.481 1.00 0.00 H new ATOM 253 N ASP A 38 13.493 -13.000 -10.632 1.00 0.00 N ATOM 254 CA ASP A 38 12.847 -14.138 -9.944 1.00 0.00 C ATOM 255 C ASP A 38 11.421 -14.364 -10.496 1.00 0.00 C ATOM 256 O ASP A 38 10.911 -13.550 -11.258 1.00 0.00 O ATOM 257 CB ASP A 38 12.814 -13.849 -8.410 1.00 0.00 C ATOM 258 CG ASP A 38 12.188 -14.975 -7.566 1.00 0.00 C ATOM 259 OD1 ASP A 38 12.806 -16.057 -7.455 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.077 -14.790 -7.032 1.00 0.00 O ATOM 0 H ASP A 38 12.832 -12.358 -11.069 1.00 0.00 H new ATOM 0 HA ASP A 38 13.418 -15.049 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.832 -13.674 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.256 -12.929 -8.237 1.00 0.00 H new ATOM 265 N ARG A 39 10.821 -15.510 -10.124 1.00 0.00 N ATOM 266 CA ARG A 39 9.398 -15.830 -10.348 1.00 0.00 C ATOM 267 C ARG A 39 8.771 -16.238 -9.002 1.00 0.00 C ATOM 268 O ARG A 39 9.276 -17.148 -8.329 1.00 0.00 O ATOM 269 CB ARG A 39 9.261 -16.992 -11.366 1.00 0.00 C ATOM 270 CG ARG A 39 9.694 -16.644 -12.808 1.00 0.00 C ATOM 271 CD ARG A 39 9.798 -17.878 -13.714 1.00 0.00 C ATOM 272 NE ARG A 39 10.882 -18.784 -13.277 1.00 0.00 N ATOM 273 CZ ARG A 39 11.807 -19.333 -14.077 1.00 0.00 C ATOM 274 NH1 ARG A 39 11.783 -19.115 -15.385 1.00 0.00 N ATOM 275 NH2 ARG A 39 12.748 -20.102 -13.558 1.00 0.00 N ATOM 0 H ARG A 39 11.325 -16.258 -9.647 1.00 0.00 H new ATOM 0 HA ARG A 39 8.885 -14.957 -10.752 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.857 -17.835 -11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.222 -17.321 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.978 -15.943 -13.238 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.659 -16.138 -12.780 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.850 -18.415 -13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.979 -17.562 -14.741 1.00 0.00 H new ATOM 0 HE ARG A 39 10.930 -19.010 -12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.056 -18.525 -15.790 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.491 -19.537 -15.985 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.768 -20.275 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.454 -20.522 -14.162 1.00 0.00 H new ATOM 289 N ILE A 40 7.692 -15.546 -8.597 1.00 0.00 N ATOM 290 CA ILE A 40 6.948 -15.872 -7.361 1.00 0.00 C ATOM 291 C ILE A 40 5.750 -16.787 -7.683 1.00 0.00 C ATOM 292 O ILE A 40 5.081 -16.597 -8.697 1.00 0.00 O ATOM 293 CB ILE A 40 6.457 -14.563 -6.627 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.453 -13.750 -7.511 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.671 -13.685 -6.220 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.868 -12.515 -6.855 1.00 0.00 C ATOM 0 H ILE A 40 7.311 -14.751 -9.110 1.00 0.00 H new ATOM 0 HA ILE A 40 7.625 -16.400 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 40 5.926 -14.864 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.962 -13.449 -8.427 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.635 -14.409 -7.803 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.317 -12.786 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.318 -14.248 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.232 -13.403 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.186 -12.023 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.325 -12.804 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.672 -11.829 -6.589 1.00 0.00 H new ATOM 308 N VAL A 41 5.503 -17.802 -6.835 1.00 0.00 N ATOM 309 CA VAL A 41 4.338 -18.696 -6.975 1.00 0.00 C ATOM 310 C VAL A 41 3.430 -18.553 -5.742 1.00 0.00 C ATOM 311 O VAL A 41 3.886 -18.729 -4.603 1.00 0.00 O ATOM 312 CB VAL A 41 4.737 -20.215 -7.139 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.504 -21.067 -7.550 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.910 -20.401 -8.135 1.00 0.00 C ATOM 0 H VAL A 41 6.100 -18.025 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 41 3.819 -18.394 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 41 5.086 -20.570 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.802 -22.110 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.734 -20.987 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.110 -20.703 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.152 -21.460 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.621 -20.017 -9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.783 -19.856 -7.775 1.00 0.00 H new ATOM 324 N ILE A 42 2.157 -18.224 -5.979 1.00 0.00 N ATOM 325 CA ILE A 42 1.103 -18.234 -4.949 1.00 0.00 C ATOM 326 C ILE A 42 0.129 -19.394 -5.211 1.00 0.00 C ATOM 327 O ILE A 42 0.073 -19.938 -6.327 1.00 0.00 O ATOM 328 CB ILE A 42 0.289 -16.882 -4.913 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.443 -16.625 -6.274 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.207 -15.695 -4.541 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.382 -15.428 -6.299 1.00 0.00 C ATOM 0 H ILE A 42 1.821 -17.940 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 42 1.597 -18.358 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.474 -16.972 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.309 -16.490 -7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.013 -17.517 -6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.623 -14.775 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.644 -15.867 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.003 -15.605 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.835 -15.342 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.164 -15.563 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.821 -14.520 -6.077 1.00 0.00 H new ATOM 343 N THR A 43 -0.617 -19.775 -4.168 1.00 0.00 N ATOM 344 CA THR A 43 -1.776 -20.673 -4.269 1.00 0.00 C ATOM 345 C THR A 43 -2.948 -20.053 -3.491 1.00 0.00 C ATOM 346 O THR A 43 -2.774 -19.596 -2.352 1.00 0.00 O ATOM 347 CB THR A 43 -1.476 -22.119 -3.726 1.00 0.00 C ATOM 348 OG1 THR A 43 -0.897 -22.046 -2.407 1.00 0.00 O ATOM 349 CG2 THR A 43 -0.541 -22.912 -4.656 1.00 0.00 C ATOM 0 H THR A 43 -0.431 -19.464 -3.215 1.00 0.00 H new ATOM 0 HA THR A 43 -2.025 -20.782 -5.325 1.00 0.00 H new ATOM 0 HB THR A 43 -2.428 -22.648 -3.685 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.716 -22.951 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.365 -23.903 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.003 -23.011 -5.638 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.408 -22.385 -4.753 1.00 0.00 H new ATOM 357 N GLY A 44 -4.128 -20.010 -4.118 1.00 0.00 N ATOM 358 CA GLY A 44 -5.358 -19.538 -3.476 1.00 0.00 C ATOM 359 C GLY A 44 -6.492 -20.508 -3.722 1.00 0.00 C ATOM 360 O GLY A 44 -6.459 -21.237 -4.704 1.00 0.00 O ATOM 0 H GLY A 44 -4.257 -20.302 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.195 -19.425 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.623 -18.554 -3.864 1.00 0.00 H new ATOM 364 N ARG A 45 -7.493 -20.533 -2.840 1.00 0.00 N ATOM 365 CA ARG A 45 -8.622 -21.486 -2.927 1.00 0.00 C ATOM 366 C ARG A 45 -9.910 -20.740 -3.302 1.00 0.00 C ATOM 367 O ARG A 45 -10.356 -19.864 -2.550 1.00 0.00 O ATOM 368 CB ARG A 45 -8.794 -22.224 -1.580 1.00 0.00 C ATOM 369 CG ARG A 45 -7.645 -23.200 -1.230 1.00 0.00 C ATOM 370 CD ARG A 45 -7.723 -23.700 0.225 1.00 0.00 C ATOM 371 NE ARG A 45 -7.389 -22.628 1.190 1.00 0.00 N ATOM 372 CZ ARG A 45 -8.261 -21.895 1.907 1.00 0.00 C ATOM 373 NH1 ARG A 45 -9.573 -22.088 1.801 1.00 0.00 N ATOM 374 NH2 ARG A 45 -7.802 -20.973 2.737 1.00 0.00 N ATOM 0 H ARG A 45 -7.552 -19.898 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.410 -22.223 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.880 -21.485 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.731 -22.780 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.678 -24.054 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.688 -22.703 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.727 -24.073 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.038 -24.537 0.359 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.399 -22.424 1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.934 -22.802 1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.218 -21.522 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.797 -20.824 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.453 -20.411 3.286 1.00 0.00 H new ATOM 388 N PHE A 46 -10.487 -21.119 -4.460 1.00 0.00 N ATOM 389 CA PHE A 46 -11.705 -20.516 -5.036 1.00 0.00 C ATOM 390 C PHE A 46 -11.534 -18.990 -5.219 1.00 0.00 C ATOM 391 O PHE A 46 -11.916 -18.193 -4.348 1.00 0.00 O ATOM 392 CB PHE A 46 -12.975 -20.877 -4.197 1.00 0.00 C ATOM 393 CG PHE A 46 -14.291 -20.450 -4.842 1.00 0.00 C ATOM 394 CD1 PHE A 46 -14.799 -21.146 -5.938 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.007 -19.350 -4.371 1.00 0.00 C ATOM 396 CE1 PHE A 46 -15.983 -20.760 -6.534 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.188 -18.963 -4.970 1.00 0.00 C ATOM 398 CZ PHE A 46 -16.676 -19.668 -6.055 1.00 0.00 C ATOM 0 H PHE A 46 -10.109 -21.872 -5.035 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.857 -20.942 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.995 -21.955 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.895 -20.408 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.260 -21.998 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.632 -18.793 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.367 -21.314 -7.377 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.731 -18.110 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.599 -19.364 -6.527 1.00 0.00 H new ATOM 408 N ASN A 47 -10.898 -18.601 -6.332 1.00 0.00 N ATOM 409 CA ASN A 47 -10.625 -17.186 -6.670 1.00 0.00 C ATOM 410 C ASN A 47 -11.017 -16.909 -8.130 1.00 0.00 C ATOM 411 O ASN A 47 -11.252 -17.840 -8.907 1.00 0.00 O ATOM 412 CB ASN A 47 -9.113 -16.852 -6.468 1.00 0.00 C ATOM 413 CG ASN A 47 -8.612 -16.955 -5.019 1.00 0.00 C ATOM 414 OD1 ASN A 47 -7.468 -17.342 -4.775 1.00 0.00 O ATOM 415 ND2 ASN A 47 -9.440 -16.587 -4.044 1.00 0.00 N ATOM 0 H ASN A 47 -10.554 -19.259 -7.032 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.218 -16.556 -6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.522 -17.525 -7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.929 -15.840 -6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.131 -16.622 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.383 -16.270 -4.268 1.00 0.00 H new ATOM 422 N ALA A 48 -11.123 -15.622 -8.476 1.00 0.00 N ATOM 423 CA ALA A 48 -11.175 -15.164 -9.877 1.00 0.00 C ATOM 424 C ALA A 48 -9.776 -14.676 -10.290 1.00 0.00 C ATOM 425 O ALA A 48 -8.846 -14.681 -9.463 1.00 0.00 O ATOM 426 CB ALA A 48 -12.223 -14.049 -10.039 1.00 0.00 C ATOM 0 H ALA A 48 -11.176 -14.864 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.472 -15.988 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.249 -13.722 -11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.204 -14.428 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.959 -13.206 -9.400 1.00 0.00 H new ATOM 432 N ILE A 49 -9.626 -14.239 -11.558 1.00 0.00 N ATOM 433 CA ILE A 49 -8.344 -13.709 -12.062 1.00 0.00 C ATOM 434 C ILE A 49 -7.984 -12.392 -11.331 1.00 0.00 C ATOM 435 O ILE A 49 -6.828 -12.185 -10.990 1.00 0.00 O ATOM 436 CB ILE A 49 -8.337 -13.515 -13.633 1.00 0.00 C ATOM 437 CG1 ILE A 49 -6.919 -13.084 -14.151 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.424 -12.516 -14.099 1.00 0.00 C ATOM 439 CD1 ILE A 49 -5.799 -14.075 -13.859 1.00 0.00 C ATOM 0 H ILE A 49 -10.376 -14.243 -12.249 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.578 -14.453 -11.845 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.576 -14.484 -14.072 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.974 -12.928 -15.228 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.661 -12.125 -13.703 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.383 -12.413 -15.183 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.407 -12.885 -13.806 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.248 -11.545 -13.636 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.860 -13.689 -14.255 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.709 -14.215 -12.782 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.027 -15.031 -14.331 1.00 0.00 H new ATOM 451 N GLY A 50 -9.002 -11.560 -11.032 1.00 0.00 N ATOM 452 CA GLY A 50 -8.800 -10.286 -10.316 1.00 0.00 C ATOM 453 C GLY A 50 -8.256 -10.467 -8.899 1.00 0.00 C ATOM 454 O GLY A 50 -7.398 -9.694 -8.451 1.00 0.00 O ATOM 0 H GLY A 50 -9.974 -11.749 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.110 -9.663 -10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.748 -9.750 -10.268 1.00 0.00 H new ATOM 458 N ASP A 51 -8.749 -11.515 -8.209 1.00 0.00 N ATOM 459 CA ASP A 51 -8.286 -11.889 -6.852 1.00 0.00 C ATOM 460 C ASP A 51 -6.849 -12.430 -6.912 1.00 0.00 C ATOM 461 O ASP A 51 -6.011 -12.114 -6.054 1.00 0.00 O ATOM 462 CB ASP A 51 -9.217 -12.957 -6.220 1.00 0.00 C ATOM 463 CG ASP A 51 -10.674 -12.490 -6.105 1.00 0.00 C ATOM 464 OD1 ASP A 51 -11.020 -11.792 -5.127 1.00 0.00 O ATOM 465 OD2 ASP A 51 -11.482 -12.792 -7.014 1.00 0.00 O ATOM 0 H ASP A 51 -9.479 -12.127 -8.574 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.312 -10.994 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.179 -13.866 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.845 -13.215 -5.229 1.00 0.00 H new ATOM 470 N ALA A 52 -6.580 -13.226 -7.967 1.00 0.00 N ATOM 471 CA ALA A 52 -5.260 -13.828 -8.239 1.00 0.00 C ATOM 472 C ALA A 52 -4.189 -12.741 -8.502 1.00 0.00 C ATOM 473 O ALA A 52 -3.058 -12.840 -8.011 1.00 0.00 O ATOM 474 CB ALA A 52 -5.362 -14.791 -9.440 1.00 0.00 C ATOM 0 H ALA A 52 -7.284 -13.472 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.950 -14.389 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.385 -15.232 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.078 -15.581 -9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.695 -14.241 -10.320 1.00 0.00 H new ATOM 480 N VAL A 53 -4.580 -11.694 -9.259 1.00 0.00 N ATOM 481 CA VAL A 53 -3.694 -10.563 -9.603 1.00 0.00 C ATOM 482 C VAL A 53 -3.416 -9.700 -8.360 1.00 0.00 C ATOM 483 O VAL A 53 -2.282 -9.273 -8.141 1.00 0.00 O ATOM 484 CB VAL A 53 -4.285 -9.680 -10.772 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.419 -8.421 -11.043 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.437 -10.507 -12.074 1.00 0.00 C ATOM 0 H VAL A 53 -5.519 -11.610 -9.649 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.754 -10.983 -9.960 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.271 -9.347 -10.447 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.862 -7.843 -11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.375 -7.809 -10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.411 -8.726 -11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.846 -9.874 -12.862 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.462 -10.884 -12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.111 -11.345 -11.896 1.00 0.00 H new ATOM 496 N SER A 54 -4.458 -9.487 -7.535 1.00 0.00 N ATOM 497 CA SER A 54 -4.351 -8.703 -6.287 1.00 0.00 C ATOM 498 C SER A 54 -3.439 -9.412 -5.263 1.00 0.00 C ATOM 499 O SER A 54 -2.696 -8.758 -4.520 1.00 0.00 O ATOM 500 CB SER A 54 -5.757 -8.460 -5.682 1.00 0.00 C ATOM 501 OG SER A 54 -5.699 -7.652 -4.514 1.00 0.00 O ATOM 0 H SER A 54 -5.394 -9.851 -7.712 1.00 0.00 H new ATOM 0 HA SER A 54 -3.901 -7.740 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.394 -7.979 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.218 -9.417 -5.439 1.00 0.00 H new ATOM 0 HG SER A 54 -6.604 -7.520 -4.162 1.00 0.00 H new ATOM 507 N ALA A 55 -3.490 -10.755 -5.259 1.00 0.00 N ATOM 508 CA ALA A 55 -2.704 -11.589 -4.336 1.00 0.00 C ATOM 509 C ALA A 55 -1.233 -11.673 -4.777 1.00 0.00 C ATOM 510 O ALA A 55 -0.330 -11.718 -3.939 1.00 0.00 O ATOM 511 CB ALA A 55 -3.323 -12.990 -4.244 1.00 0.00 C ATOM 0 H ALA A 55 -4.078 -11.292 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.726 -11.126 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.737 -13.603 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.346 -12.912 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.327 -13.452 -5.231 1.00 0.00 H new ATOM 517 N VAL A 56 -1.000 -11.685 -6.104 1.00 0.00 N ATOM 518 CA VAL A 56 0.354 -11.837 -6.677 1.00 0.00 C ATOM 519 C VAL A 56 1.087 -10.475 -6.716 1.00 0.00 C ATOM 520 O VAL A 56 2.316 -10.425 -6.659 1.00 0.00 O ATOM 521 CB VAL A 56 0.312 -12.539 -8.095 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.155 -11.598 -9.222 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.658 -13.215 -8.441 1.00 0.00 C ATOM 0 H VAL A 56 -1.736 -11.591 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 56 0.927 -12.496 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.442 -13.322 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.162 -12.139 -10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.160 -11.238 -9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.526 -10.750 -9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.587 -13.685 -9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.449 -12.465 -8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.888 -13.972 -7.691 1.00 0.00 H new ATOM 533 N SER A 57 0.313 -9.372 -6.797 1.00 0.00 N ATOM 534 CA SER A 57 0.850 -7.996 -6.686 1.00 0.00 C ATOM 535 C SER A 57 1.230 -7.693 -5.229 1.00 0.00 C ATOM 536 O SER A 57 2.221 -6.999 -4.958 1.00 0.00 O ATOM 537 CB SER A 57 -0.187 -6.969 -7.194 1.00 0.00 C ATOM 538 OG SER A 57 -1.413 -7.072 -6.499 1.00 0.00 O ATOM 0 H SER A 57 -0.696 -9.408 -6.940 1.00 0.00 H new ATOM 0 HA SER A 57 1.744 -7.920 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.213 -5.962 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.359 -7.123 -8.259 1.00 0.00 H new ATOM 0 HG SER A 57 -1.905 -7.857 -6.818 1.00 0.00 H new ATOM 544 N ARG A 58 0.411 -8.233 -4.300 1.00 0.00 N ATOM 545 CA ARG A 58 0.663 -8.148 -2.851 1.00 0.00 C ATOM 546 C ARG A 58 1.925 -8.950 -2.489 1.00 0.00 C ATOM 547 O ARG A 58 2.786 -8.464 -1.758 1.00 0.00 O ATOM 548 CB ARG A 58 -0.555 -8.686 -2.051 1.00 0.00 C ATOM 549 CG ARG A 58 -0.379 -8.611 -0.520 1.00 0.00 C ATOM 550 CD ARG A 58 -1.584 -9.137 0.276 1.00 0.00 C ATOM 551 NE ARG A 58 -1.360 -9.000 1.730 1.00 0.00 N ATOM 552 CZ ARG A 58 -1.939 -9.740 2.685 1.00 0.00 C ATOM 553 NH1 ARG A 58 -2.836 -10.673 2.379 1.00 0.00 N ATOM 554 NH2 ARG A 58 -1.620 -9.530 3.956 1.00 0.00 N ATOM 0 H ARG A 58 -0.442 -8.739 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 58 0.816 -7.101 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.442 -8.119 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.735 -9.723 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.506 -9.181 -0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.194 -7.575 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.481 -8.588 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.759 -10.184 0.029 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.707 -8.278 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.093 -10.834 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.267 -11.228 3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.939 -8.810 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.056 -10.088 4.690 1.00 0.00 H new ATOM 568 N ARG A 59 2.027 -10.174 -3.044 1.00 0.00 N ATOM 569 CA ARG A 59 3.175 -11.076 -2.807 1.00 0.00 C ATOM 570 C ARG A 59 4.472 -10.470 -3.365 1.00 0.00 C ATOM 571 O ARG A 59 5.503 -10.520 -2.703 1.00 0.00 O ATOM 572 CB ARG A 59 2.895 -12.491 -3.393 1.00 0.00 C ATOM 573 CG ARG A 59 4.081 -13.505 -3.363 1.00 0.00 C ATOM 574 CD ARG A 59 4.764 -13.657 -1.986 1.00 0.00 C ATOM 575 NE ARG A 59 3.822 -13.982 -0.898 1.00 0.00 N ATOM 576 CZ ARG A 59 4.121 -13.925 0.410 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.334 -13.558 0.812 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.197 -14.232 1.304 1.00 0.00 N ATOM 0 H ARG A 59 1.320 -10.565 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 59 3.309 -11.190 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.059 -12.927 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.572 -12.374 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.715 -14.481 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.828 -13.191 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.520 -14.440 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.284 -12.730 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 59 2.878 -14.270 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.048 -13.316 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.551 -13.518 1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.264 -14.510 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.417 -14.191 2.299 1.00 0.00 H new ATOM 592 N ALA A 60 4.403 -9.861 -4.555 1.00 0.00 N ATOM 593 CA ALA A 60 5.574 -9.197 -5.169 1.00 0.00 C ATOM 594 C ALA A 60 6.042 -7.996 -4.309 1.00 0.00 C ATOM 595 O ALA A 60 7.236 -7.719 -4.216 1.00 0.00 O ATOM 596 CB ALA A 60 5.244 -8.779 -6.601 1.00 0.00 C ATOM 0 H ALA A 60 3.553 -9.811 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 60 6.404 -9.903 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.111 -8.291 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.983 -9.661 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.402 -8.087 -6.593 1.00 0.00 H new ATOM 602 N ASP A 61 5.076 -7.332 -3.644 1.00 0.00 N ATOM 603 CA ASP A 61 5.351 -6.239 -2.680 1.00 0.00 C ATOM 604 C ASP A 61 6.061 -6.785 -1.413 1.00 0.00 C ATOM 605 O ASP A 61 6.956 -6.130 -0.858 1.00 0.00 O ATOM 606 CB ASP A 61 4.023 -5.520 -2.310 1.00 0.00 C ATOM 607 CG ASP A 61 4.159 -4.454 -1.202 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.986 -3.530 -1.345 1.00 0.00 O ATOM 609 OD2 ASP A 61 3.445 -4.540 -0.175 1.00 0.00 O ATOM 0 H ASP A 61 4.083 -7.535 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 61 6.022 -5.517 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.620 -5.046 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.297 -6.267 -1.990 1.00 0.00 H new ATOM 614 N GLU A 62 5.662 -8.003 -0.987 1.00 0.00 N ATOM 615 CA GLU A 62 6.306 -8.726 0.138 1.00 0.00 C ATOM 616 C GLU A 62 7.773 -9.052 -0.193 1.00 0.00 C ATOM 617 O GLU A 62 8.644 -9.021 0.682 1.00 0.00 O ATOM 618 CB GLU A 62 5.548 -10.054 0.446 1.00 0.00 C ATOM 619 CG GLU A 62 4.054 -9.902 0.807 1.00 0.00 C ATOM 620 CD GLU A 62 3.806 -9.258 2.176 1.00 0.00 C ATOM 621 OE1 GLU A 62 3.948 -8.021 2.312 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.444 -9.979 3.134 1.00 0.00 O ATOM 0 H GLU A 62 4.887 -8.514 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 62 6.268 -8.076 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.629 -10.707 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.053 -10.557 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.565 -9.301 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.584 -10.886 0.789 1.00 0.00 H new ATOM 629 N GLU A 63 8.023 -9.361 -1.473 1.00 0.00 N ATOM 630 CA GLU A 63 9.352 -9.759 -1.974 1.00 0.00 C ATOM 631 C GLU A 63 10.238 -8.544 -2.297 1.00 0.00 C ATOM 632 O GLU A 63 11.446 -8.698 -2.514 1.00 0.00 O ATOM 633 CB GLU A 63 9.185 -10.654 -3.226 1.00 0.00 C ATOM 634 CG GLU A 63 8.298 -11.902 -3.017 1.00 0.00 C ATOM 635 CD GLU A 63 8.695 -12.765 -1.803 1.00 0.00 C ATOM 636 OE1 GLU A 63 9.748 -13.436 -1.861 1.00 0.00 O ATOM 637 OE2 GLU A 63 7.957 -12.781 -0.782 1.00 0.00 O ATOM 0 H GLU A 63 7.305 -9.343 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 63 9.855 -10.318 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.759 -10.054 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.171 -10.978 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.263 -11.582 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.340 -12.518 -3.915 1.00 0.00 H new ATOM 644 N GLY A 64 9.640 -7.343 -2.312 1.00 0.00 N ATOM 645 CA GLY A 64 10.370 -6.111 -2.631 1.00 0.00 C ATOM 646 C GLY A 64 10.613 -5.946 -4.127 1.00 0.00 C ATOM 647 O GLY A 64 11.733 -5.654 -4.565 1.00 0.00 O ATOM 0 H GLY A 64 8.651 -7.201 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.808 -5.254 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.327 -6.114 -2.109 1.00 0.00 H new ATOM 651 N ALA A 65 9.547 -6.146 -4.898 1.00 0.00 N ATOM 652 CA ALA A 65 9.535 -5.992 -6.361 1.00 0.00 C ATOM 653 C ALA A 65 8.613 -4.826 -6.736 1.00 0.00 C ATOM 654 O ALA A 65 7.481 -4.752 -6.243 1.00 0.00 O ATOM 655 CB ALA A 65 9.063 -7.296 -7.031 1.00 0.00 C ATOM 0 H ALA A 65 8.643 -6.427 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 65 10.544 -5.778 -6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.059 -7.168 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.740 -8.108 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.056 -7.536 -6.690 1.00 0.00 H new ATOM 661 N ALA A 66 9.106 -3.925 -7.595 1.00 0.00 N ATOM 662 CA ALA A 66 8.338 -2.758 -8.072 1.00 0.00 C ATOM 663 C ALA A 66 7.195 -3.181 -9.015 1.00 0.00 C ATOM 664 O ALA A 66 6.115 -2.575 -9.016 1.00 0.00 O ATOM 665 CB ALA A 66 9.268 -1.770 -8.778 1.00 0.00 C ATOM 0 H ALA A 66 10.048 -3.981 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 66 7.891 -2.273 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.692 -0.913 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.036 -1.432 -8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.740 -2.260 -9.630 1.00 0.00 H new ATOM 671 N SER A 67 7.450 -4.230 -9.814 1.00 0.00 N ATOM 672 CA SER A 67 6.501 -4.741 -10.811 1.00 0.00 C ATOM 673 C SER A 67 6.533 -6.280 -10.851 1.00 0.00 C ATOM 674 O SER A 67 7.327 -6.920 -10.146 1.00 0.00 O ATOM 675 CB SER A 67 6.823 -4.143 -12.212 1.00 0.00 C ATOM 676 OG SER A 67 6.677 -2.727 -12.227 1.00 0.00 O ATOM 0 H SER A 67 8.327 -4.749 -9.784 1.00 0.00 H new ATOM 0 HA SER A 67 5.495 -4.433 -10.527 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.842 -4.407 -12.495 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.161 -4.585 -12.957 1.00 0.00 H new ATOM 0 HG SER A 67 6.888 -2.386 -13.121 1.00 0.00 H new ATOM 682 N PHE A 68 5.631 -6.849 -11.661 1.00 0.00 N ATOM 683 CA PHE A 68 5.582 -8.291 -11.956 1.00 0.00 C ATOM 684 C PHE A 68 5.027 -8.502 -13.375 1.00 0.00 C ATOM 685 O PHE A 68 4.701 -7.543 -14.070 1.00 0.00 O ATOM 686 CB PHE A 68 4.721 -9.059 -10.898 1.00 0.00 C ATOM 687 CG PHE A 68 3.211 -8.808 -10.968 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.632 -7.721 -10.325 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.372 -9.663 -11.692 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.272 -7.499 -10.401 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.015 -9.435 -11.769 1.00 0.00 C ATOM 692 CZ PHE A 68 0.463 -8.355 -11.123 1.00 0.00 C ATOM 0 H PHE A 68 4.904 -6.315 -12.137 1.00 0.00 H new ATOM 0 HA PHE A 68 6.593 -8.696 -11.903 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.900 -10.128 -11.016 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.071 -8.786 -9.903 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.253 -7.042 -9.759 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.796 -10.517 -12.200 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.837 -6.651 -9.893 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.386 -10.105 -12.337 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.601 -8.176 -11.180 1.00 0.00 H new ATOM 702 N TYR A 69 4.928 -9.768 -13.771 1.00 0.00 N ATOM 703 CA TYR A 69 4.305 -10.195 -15.022 1.00 0.00 C ATOM 704 C TYR A 69 3.923 -11.669 -14.871 1.00 0.00 C ATOM 705 O TYR A 69 4.776 -12.488 -14.562 1.00 0.00 O ATOM 706 CB TYR A 69 5.278 -9.978 -16.215 1.00 0.00 C ATOM 707 CG TYR A 69 4.756 -10.494 -17.567 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.824 -9.764 -18.308 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.191 -11.709 -18.102 1.00 0.00 C ATOM 710 CE1 TYR A 69 3.349 -10.231 -19.515 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.716 -12.174 -19.310 1.00 0.00 C ATOM 712 CZ TYR A 69 3.798 -11.432 -20.014 1.00 0.00 C ATOM 713 OH TYR A 69 3.328 -11.898 -21.226 1.00 0.00 O ATOM 0 H TYR A 69 5.288 -10.546 -13.217 1.00 0.00 H new ATOM 0 HA TYR A 69 3.413 -9.604 -15.230 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.491 -8.913 -16.305 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.223 -10.474 -15.992 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.469 -8.817 -17.929 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.915 -12.297 -17.558 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.624 -9.654 -20.069 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.064 -13.118 -19.702 1.00 0.00 H new ATOM 0 HH TYR A 69 3.748 -12.759 -21.431 1.00 0.00 H new ATOM 723 N VAL A 70 2.637 -12.001 -15.054 1.00 0.00 N ATOM 724 CA VAL A 70 2.148 -13.383 -14.935 1.00 0.00 C ATOM 725 C VAL A 70 2.700 -14.236 -16.095 1.00 0.00 C ATOM 726 O VAL A 70 2.382 -13.979 -17.266 1.00 0.00 O ATOM 727 CB VAL A 70 0.576 -13.457 -14.908 1.00 0.00 C ATOM 728 CG1 VAL A 70 0.084 -14.916 -14.730 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.013 -12.533 -13.810 1.00 0.00 C ATOM 0 H VAL A 70 1.910 -11.324 -15.287 1.00 0.00 H new ATOM 0 HA VAL A 70 2.507 -13.778 -13.985 1.00 0.00 H new ATOM 0 HB VAL A 70 0.215 -13.099 -15.872 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.006 -14.933 -14.715 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.445 -15.525 -15.558 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.466 -15.317 -13.791 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.100 -12.607 -13.817 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.365 -12.840 -12.835 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.282 -11.502 -14.005 1.00 0.00 H new ATOM 739 N VAL A 71 3.534 -15.239 -15.761 1.00 0.00 N ATOM 740 CA VAL A 71 4.144 -16.144 -16.748 1.00 0.00 C ATOM 741 C VAL A 71 3.213 -17.341 -16.997 1.00 0.00 C ATOM 742 O VAL A 71 3.145 -17.857 -18.125 1.00 0.00 O ATOM 743 CB VAL A 71 5.604 -16.601 -16.315 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.661 -17.100 -14.856 1.00 0.00 C ATOM 745 CG2 VAL A 71 6.209 -17.655 -17.282 1.00 0.00 C ATOM 0 H VAL A 71 3.803 -15.443 -14.798 1.00 0.00 H new ATOM 0 HA VAL A 71 4.267 -15.602 -17.686 1.00 0.00 H new ATOM 0 HB VAL A 71 6.221 -15.705 -16.378 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.681 -17.399 -14.613 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.348 -16.300 -14.185 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.994 -17.954 -14.737 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.206 -17.932 -16.940 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.573 -18.540 -17.300 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.273 -17.234 -18.285 1.00 0.00 H new ATOM 755 N ASP A 72 2.450 -17.749 -15.955 1.00 0.00 N ATOM 756 CA ASP A 72 1.503 -18.875 -16.062 1.00 0.00 C ATOM 757 C ASP A 72 0.472 -18.841 -14.914 1.00 0.00 C ATOM 758 O ASP A 72 0.800 -18.482 -13.777 1.00 0.00 O ATOM 759 CB ASP A 72 2.271 -20.229 -16.054 1.00 0.00 C ATOM 760 CG ASP A 72 1.421 -21.457 -16.458 1.00 0.00 C ATOM 761 OD1 ASP A 72 0.582 -21.348 -17.383 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.628 -22.554 -15.886 1.00 0.00 O ATOM 0 H ASP A 72 2.475 -17.313 -15.033 1.00 0.00 H new ATOM 0 HA ASP A 72 0.966 -18.778 -17.006 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.121 -20.153 -16.733 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.675 -20.396 -15.055 1.00 0.00 H new ATOM 767 N THR A 73 -0.778 -19.197 -15.243 1.00 0.00 N ATOM 768 CA THR A 73 -1.859 -19.452 -14.272 1.00 0.00 C ATOM 769 C THR A 73 -2.302 -20.913 -14.416 1.00 0.00 C ATOM 770 O THR A 73 -2.273 -21.472 -15.520 1.00 0.00 O ATOM 771 CB THR A 73 -3.088 -18.489 -14.481 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.425 -18.399 -15.876 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.825 -17.075 -13.939 1.00 0.00 C ATOM 0 H THR A 73 -1.075 -19.319 -16.211 1.00 0.00 H new ATOM 0 HA THR A 73 -1.478 -19.261 -13.269 1.00 0.00 H new ATOM 0 HB THR A 73 -3.918 -18.919 -13.920 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.191 -17.799 -15.989 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.703 -16.451 -14.108 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.618 -17.128 -12.870 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.968 -16.642 -14.454 1.00 0.00 H new ATOM 781 N SER A 74 -2.709 -21.513 -13.297 1.00 0.00 N ATOM 782 CA SER A 74 -3.103 -22.929 -13.227 1.00 0.00 C ATOM 783 C SER A 74 -4.158 -23.133 -12.130 1.00 0.00 C ATOM 784 O SER A 74 -4.423 -22.231 -11.321 1.00 0.00 O ATOM 785 CB SER A 74 -1.867 -23.823 -12.932 1.00 0.00 C ATOM 786 OG SER A 74 -0.784 -23.557 -13.817 1.00 0.00 O ATOM 0 H SER A 74 -2.777 -21.029 -12.402 1.00 0.00 H new ATOM 0 HA SER A 74 -3.526 -23.215 -14.190 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.542 -23.661 -11.904 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.152 -24.872 -13.015 1.00 0.00 H new ATOM 0 HG SER A 74 -0.257 -24.373 -13.944 1.00 0.00 H new ATOM 792 N GLU A 75 -4.744 -24.336 -12.118 1.00 0.00 N ATOM 793 CA GLU A 75 -5.642 -24.799 -11.057 1.00 0.00 C ATOM 794 C GLU A 75 -5.248 -26.239 -10.684 1.00 0.00 C ATOM 795 O GLU A 75 -4.739 -26.986 -11.536 1.00 0.00 O ATOM 796 CB GLU A 75 -7.126 -24.708 -11.513 1.00 0.00 C ATOM 797 CG GLU A 75 -7.482 -25.532 -12.769 1.00 0.00 C ATOM 798 CD GLU A 75 -8.933 -25.313 -13.249 1.00 0.00 C ATOM 799 OE1 GLU A 75 -9.858 -25.955 -12.710 1.00 0.00 O ATOM 800 OE2 GLU A 75 -9.161 -24.476 -14.155 1.00 0.00 O ATOM 0 H GLU A 75 -4.605 -25.025 -12.857 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.545 -24.162 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.762 -25.036 -10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.367 -23.662 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.796 -25.269 -13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.333 -26.590 -12.556 1.00 0.00 H new ATOM 866 N ASN A 81 -8.297 -24.298 -6.827 1.00 0.00 N ATOM 867 CA ASN A 81 -7.022 -23.923 -6.191 1.00 0.00 C ATOM 868 C ASN A 81 -6.105 -23.247 -7.236 1.00 0.00 C ATOM 869 O ASN A 81 -5.362 -23.921 -7.954 1.00 0.00 O ATOM 870 CB ASN A 81 -6.333 -25.155 -5.541 1.00 0.00 C ATOM 871 CG ASN A 81 -5.028 -24.810 -4.810 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.034 -24.497 -3.618 1.00 0.00 O ATOM 873 ND2 ASN A 81 -3.905 -24.858 -5.522 1.00 0.00 N ATOM 0 HA ASN A 81 -7.221 -23.213 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.024 -25.618 -4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.123 -25.894 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.013 -24.632 -5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.936 -25.121 -6.507 1.00 0.00 H new ATOM 880 N TRP A 82 -6.220 -21.911 -7.321 1.00 0.00 N ATOM 881 CA TRP A 82 -5.443 -21.062 -8.235 1.00 0.00 C ATOM 882 C TRP A 82 -3.947 -21.034 -7.885 1.00 0.00 C ATOM 883 O TRP A 82 -3.514 -20.279 -7.009 1.00 0.00 O ATOM 884 CB TRP A 82 -6.024 -19.616 -8.235 1.00 0.00 C ATOM 885 CG TRP A 82 -7.216 -19.434 -9.143 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.471 -19.943 -8.980 1.00 0.00 C ATOM 887 CD2 TRP A 82 -7.241 -18.696 -10.364 1.00 0.00 C ATOM 888 NE1 TRP A 82 -9.278 -19.538 -10.013 1.00 0.00 N ATOM 889 CE2 TRP A 82 -8.541 -18.768 -10.875 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.283 -17.962 -11.061 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -8.911 -18.141 -12.064 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.643 -17.345 -12.241 1.00 0.00 C ATOM 893 CH2 TRP A 82 -7.952 -17.430 -12.730 1.00 0.00 C ATOM 0 H TRP A 82 -6.871 -21.381 -6.742 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.528 -21.494 -9.232 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.311 -19.351 -7.218 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.241 -18.921 -8.537 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.783 -20.572 -8.159 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -10.265 -19.772 -10.122 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.275 -17.878 -10.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -9.919 -18.214 -12.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.903 -16.788 -12.796 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -8.209 -16.925 -13.650 1.00 0.00 H new ATOM 904 N ARG A 83 -3.176 -21.875 -8.579 1.00 0.00 N ATOM 905 CA ARG A 83 -1.711 -21.794 -8.605 1.00 0.00 C ATOM 906 C ARG A 83 -1.315 -20.753 -9.666 1.00 0.00 C ATOM 907 O ARG A 83 -1.542 -20.965 -10.852 1.00 0.00 O ATOM 908 CB ARG A 83 -1.107 -23.215 -8.885 1.00 0.00 C ATOM 909 CG ARG A 83 0.437 -23.302 -9.111 1.00 0.00 C ATOM 910 CD ARG A 83 0.844 -23.109 -10.589 1.00 0.00 C ATOM 911 NE ARG A 83 2.293 -23.242 -10.828 1.00 0.00 N ATOM 912 CZ ARG A 83 2.867 -23.263 -12.047 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.125 -23.220 -13.153 1.00 0.00 N ATOM 914 NH2 ARG A 83 4.183 -23.344 -12.146 1.00 0.00 N ATOM 0 H ARG A 83 -3.552 -22.637 -9.143 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.309 -21.473 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.363 -23.862 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.601 -23.625 -9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.931 -22.544 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.795 -24.272 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.315 -23.840 -11.200 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.519 -22.123 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 83 2.903 -23.324 -10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.109 -23.170 -13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.573 -23.237 -14.069 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.756 -23.390 -11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.625 -23.360 -13.065 1.00 0.00 H new ATOM 928 N VAL A 84 -0.763 -19.614 -9.228 1.00 0.00 N ATOM 929 CA VAL A 84 -0.353 -18.520 -10.133 1.00 0.00 C ATOM 930 C VAL A 84 1.134 -18.207 -9.935 1.00 0.00 C ATOM 931 O VAL A 84 1.559 -17.869 -8.829 1.00 0.00 O ATOM 932 CB VAL A 84 -1.201 -17.212 -9.892 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.782 -16.066 -10.853 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.717 -17.506 -9.996 1.00 0.00 C ATOM 0 H VAL A 84 -0.587 -19.420 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.530 -18.855 -11.155 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.993 -16.872 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.390 -15.184 -10.654 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.269 -15.825 -10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.931 -16.384 -11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.278 -16.587 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.945 -17.892 -10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.996 -18.246 -9.246 1.00 0.00 H new ATOM 944 N VAL A 85 1.923 -18.327 -11.007 1.00 0.00 N ATOM 945 CA VAL A 85 3.336 -17.930 -11.016 1.00 0.00 C ATOM 946 C VAL A 85 3.513 -16.675 -11.893 1.00 0.00 C ATOM 947 O VAL A 85 2.957 -16.589 -13.001 1.00 0.00 O ATOM 948 CB VAL A 85 4.279 -19.109 -11.467 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.866 -19.711 -12.827 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.773 -18.679 -11.461 1.00 0.00 C ATOM 0 H VAL A 85 1.599 -18.704 -11.898 1.00 0.00 H new ATOM 0 HA VAL A 85 3.635 -17.685 -9.997 1.00 0.00 H new ATOM 0 HB VAL A 85 4.160 -19.902 -10.729 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.549 -20.519 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.851 -20.102 -12.759 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.906 -18.938 -13.594 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.394 -19.517 -11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.914 -17.844 -12.147 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.060 -18.374 -10.455 1.00 0.00 H new ATOM 960 N ALA A 86 4.270 -15.693 -11.372 1.00 0.00 N ATOM 961 CA ALA A 86 4.510 -14.411 -12.035 1.00 0.00 C ATOM 962 C ALA A 86 5.971 -13.988 -11.843 1.00 0.00 C ATOM 963 O ALA A 86 6.454 -13.909 -10.707 1.00 0.00 O ATOM 964 CB ALA A 86 3.561 -13.331 -11.487 1.00 0.00 C ATOM 0 H ALA A 86 4.735 -15.774 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 86 4.314 -14.527 -13.101 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.755 -12.385 -11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.528 -13.631 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.726 -13.211 -10.416 1.00 0.00 H new ATOM 970 N ASP A 87 6.663 -13.731 -12.958 1.00 0.00 N ATOM 971 CA ASP A 87 8.041 -13.220 -12.956 1.00 0.00 C ATOM 972 C ASP A 87 8.059 -11.740 -12.520 1.00 0.00 C ATOM 973 O ASP A 87 7.307 -10.930 -13.039 1.00 0.00 O ATOM 974 CB ASP A 87 8.714 -13.441 -14.341 1.00 0.00 C ATOM 975 CG ASP A 87 7.928 -12.893 -15.542 1.00 0.00 C ATOM 976 OD1 ASP A 87 6.982 -13.572 -15.994 1.00 0.00 O ATOM 977 OD2 ASP A 87 8.264 -11.812 -16.051 1.00 0.00 O ATOM 0 H ASP A 87 6.282 -13.872 -13.894 1.00 0.00 H new ATOM 0 HA ASP A 87 8.630 -13.780 -12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.699 -12.974 -14.328 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.870 -14.510 -14.486 1.00 0.00 H new ATOM 982 N VAL A 88 8.941 -11.404 -11.563 1.00 0.00 N ATOM 983 CA VAL A 88 8.919 -10.119 -10.828 1.00 0.00 C ATOM 984 C VAL A 88 10.142 -9.261 -11.170 1.00 0.00 C ATOM 985 O VAL A 88 11.223 -9.774 -11.488 1.00 0.00 O ATOM 986 CB VAL A 88 8.831 -10.358 -9.271 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.434 -10.879 -8.884 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.931 -11.332 -8.772 1.00 0.00 C ATOM 0 H VAL A 88 9.699 -12.021 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 88 8.027 -9.577 -11.143 1.00 0.00 H new ATOM 0 HB VAL A 88 8.999 -9.398 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.391 -11.038 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.680 -10.147 -9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.242 -11.821 -9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.834 -11.469 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.819 -12.294 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.914 -10.918 -8.998 1.00 0.00 H new ATOM 998 N TYR A 89 9.948 -7.931 -11.062 1.00 0.00 N ATOM 999 CA TYR A 89 10.868 -6.905 -11.574 1.00 0.00 C ATOM 1000 C TYR A 89 11.168 -5.864 -10.487 1.00 0.00 C ATOM 1001 O TYR A 89 10.315 -5.566 -9.647 1.00 0.00 O ATOM 1002 CB TYR A 89 10.236 -6.197 -12.805 1.00 0.00 C ATOM 1003 CG TYR A 89 10.077 -7.093 -14.041 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.969 -7.937 -14.196 1.00 0.00 C ATOM 1005 CD2 TYR A 89 11.043 -7.104 -15.048 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.841 -8.748 -15.304 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.910 -7.912 -16.157 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.812 -8.729 -16.280 1.00 0.00 C ATOM 1009 OH TYR A 89 9.693 -9.538 -17.385 1.00 0.00 O ATOM 0 H TYR A 89 9.127 -7.535 -10.605 1.00 0.00 H new ATOM 0 HA TYR A 89 11.799 -7.390 -11.868 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.256 -5.811 -12.523 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.853 -5.338 -13.071 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.203 -7.953 -13.435 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.911 -6.468 -14.957 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.983 -9.395 -15.406 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.667 -7.903 -16.927 1.00 0.00 H new ATOM 0 HH TYR A 89 9.899 -9.022 -18.192 1.00 0.00 H new ATOM 1019 N LYS A 90 12.395 -5.324 -10.523 1.00 0.00 N ATOM 1020 CA LYS A 90 12.814 -4.189 -9.684 1.00 0.00 C ATOM 1021 C LYS A 90 12.447 -2.857 -10.366 1.00 0.00 C ATOM 1022 O LYS A 90 11.969 -2.839 -11.508 1.00 0.00 O ATOM 1023 CB LYS A 90 14.344 -4.258 -9.427 1.00 0.00 C ATOM 1024 CG LYS A 90 14.823 -5.503 -8.653 1.00 0.00 C ATOM 1025 CD LYS A 90 14.177 -5.620 -7.251 1.00 0.00 C ATOM 1026 CE LYS A 90 14.841 -6.698 -6.383 1.00 0.00 C ATOM 1027 NZ LYS A 90 14.152 -6.880 -5.085 1.00 0.00 N ATOM 0 H LYS A 90 13.132 -5.665 -11.140 1.00 0.00 H new ATOM 0 HA LYS A 90 12.292 -4.244 -8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.860 -4.226 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.644 -3.368 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.590 -6.397 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.907 -5.465 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.244 -4.658 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.117 -5.850 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.847 -7.644 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.882 -6.427 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.741 -6.490 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.238 -6.385 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.993 -7.894 -4.916 1.00 0.00 H new ATOM 1041 N ALA A 91 12.657 -1.748 -9.638 1.00 0.00 N ATOM 1042 CA ALA A 91 12.479 -0.390 -10.173 1.00 0.00 C ATOM 1043 C ALA A 91 13.662 -0.042 -11.117 1.00 0.00 C ATOM 1044 O ALA A 91 14.780 0.212 -10.614 1.00 0.00 O ATOM 1045 CB ALA A 91 12.340 0.629 -9.018 1.00 0.00 C ATOM 1046 OXT ALA A 91 13.476 -0.048 -12.355 1.00 0.00 O ATOM 0 H ALA A 91 12.955 -1.769 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 91 11.559 -0.343 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.209 1.630 -9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.474 0.371 -8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.239 0.605 -8.402 1.00 0.00 H new