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 Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -32:sc= 0.214 USER MOD Single : A 30 GLN : amide:sc=-0.00687 X(o=-0.0069,f=-0.0069) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -145:sc= -0.0206 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.319 K(o=0.32,f=-6.9!) USER MOD Single : A 54 SER OG : rot -1:sc= 0.276 USER MOD Single : A 57 SER OG : rot 82:sc= 0.41 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 42:sc= 0.172 USER MOD Single : A 74 SER OG : rot 91:sc= 0.904 USER MOD Single : A 81 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.5!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= -1.07 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 0.750 -1.666 -4.821 1.00 0.00 N ATOM 20 CA ALA A 22 1.631 -2.627 -4.126 1.00 0.00 C ATOM 21 C ALA A 22 2.848 -2.939 -5.016 1.00 0.00 C ATOM 22 O ALA A 22 3.993 -2.645 -4.658 1.00 0.00 O ATOM 23 CB ALA A 22 0.855 -3.913 -3.765 1.00 0.00 C ATOM 0 HA ALA A 22 1.984 -2.187 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.521 -4.608 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.020 -3.663 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.476 -4.377 -4.676 1.00 0.00 H new ATOM 29 N ALA A 23 2.562 -3.489 -6.198 1.00 0.00 N ATOM 30 CA ALA A 23 3.544 -3.684 -7.270 1.00 0.00 C ATOM 31 C ALA A 23 2.853 -3.396 -8.604 1.00 0.00 C ATOM 32 O ALA A 23 1.710 -3.817 -8.817 1.00 0.00 O ATOM 33 CB ALA A 23 4.126 -5.106 -7.237 1.00 0.00 C ATOM 0 H ALA A 23 1.628 -3.817 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 23 4.383 -3.001 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.851 -5.221 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.618 -5.276 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.322 -5.831 -7.365 1.00 0.00 H new ATOM 39 N THR A 24 3.533 -2.643 -9.473 1.00 0.00 N ATOM 40 CA THR A 24 3.034 -2.287 -10.804 1.00 0.00 C ATOM 41 C THR A 24 2.935 -3.547 -11.681 1.00 0.00 C ATOM 42 O THR A 24 3.831 -4.395 -11.639 1.00 0.00 O ATOM 43 CB THR A 24 3.995 -1.240 -11.469 1.00 0.00 C ATOM 44 OG1 THR A 24 4.181 -0.123 -10.581 1.00 0.00 O ATOM 45 CG2 THR A 24 3.477 -0.722 -12.828 1.00 0.00 C ATOM 0 H THR A 24 4.456 -2.259 -9.270 1.00 0.00 H new ATOM 0 HA THR A 24 2.042 -1.846 -10.708 1.00 0.00 H new ATOM 0 HB THR A 24 4.939 -1.752 -11.654 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.783 0.529 -10.997 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.185 -0.001 -13.237 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.370 -1.558 -13.519 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.509 -0.240 -12.689 1.00 0.00 H new ATOM 53 N GLU A 25 1.830 -3.694 -12.427 1.00 0.00 N ATOM 54 CA GLU A 25 1.731 -4.743 -13.446 1.00 0.00 C ATOM 55 C GLU A 25 2.692 -4.396 -14.587 1.00 0.00 C ATOM 56 O GLU A 25 2.648 -3.279 -15.130 1.00 0.00 O ATOM 57 CB GLU A 25 0.293 -4.885 -14.008 1.00 0.00 C ATOM 58 CG GLU A 25 0.126 -5.992 -15.097 1.00 0.00 C ATOM 59 CD GLU A 25 -0.885 -5.627 -16.203 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.093 -5.892 -16.039 1.00 0.00 O ATOM 61 OE2 GLU A 25 -0.470 -5.048 -17.238 1.00 0.00 O ATOM 0 H GLU A 25 1.001 -3.105 -12.344 1.00 0.00 H new ATOM 0 HA GLU A 25 1.991 -5.695 -12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.386 -5.101 -13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.014 -3.928 -14.431 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.096 -6.189 -15.554 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.193 -6.917 -14.616 1.00 0.00 H new ATOM 68 N LEU A 26 3.577 -5.326 -14.910 1.00 0.00 N ATOM 69 CA LEU A 26 4.460 -5.213 -16.057 1.00 0.00 C ATOM 70 C LEU A 26 3.804 -5.980 -17.215 1.00 0.00 C ATOM 71 O LEU A 26 3.755 -7.216 -17.200 1.00 0.00 O ATOM 72 CB LEU A 26 5.888 -5.751 -15.744 1.00 0.00 C ATOM 73 CG LEU A 26 7.019 -5.182 -16.658 1.00 0.00 C ATOM 74 CD1 LEU A 26 7.204 -3.662 -16.435 1.00 0.00 C ATOM 75 CD2 LEU A 26 8.345 -5.936 -16.455 1.00 0.00 C ATOM 0 H LEU A 26 3.703 -6.187 -14.378 1.00 0.00 H new ATOM 0 HA LEU A 26 4.595 -4.165 -16.326 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.128 -5.520 -14.706 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.879 -6.837 -15.835 1.00 0.00 H new ATOM 0 HG LEU A 26 6.711 -5.336 -17.692 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.998 -3.293 -17.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.274 -3.144 -16.669 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.471 -3.477 -15.395 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.108 -5.512 -17.108 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.662 -5.841 -15.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.205 -6.990 -16.697 1.00 0.00 H new ATOM 87 N THR A 27 3.250 -5.221 -18.170 1.00 0.00 N ATOM 88 CA THR A 27 2.572 -5.748 -19.368 1.00 0.00 C ATOM 89 C THR A 27 3.523 -6.681 -20.165 1.00 0.00 C ATOM 90 O THR A 27 4.717 -6.392 -20.218 1.00 0.00 O ATOM 91 CB THR A 27 2.101 -4.526 -20.238 1.00 0.00 C ATOM 92 OG1 THR A 27 1.247 -3.677 -19.442 1.00 0.00 O ATOM 93 CG2 THR A 27 1.355 -4.920 -21.531 1.00 0.00 C ATOM 0 H THR A 27 3.259 -4.202 -18.133 1.00 0.00 H new ATOM 0 HA THR A 27 1.706 -6.346 -19.084 1.00 0.00 H new ATOM 0 HB THR A 27 3.007 -4.007 -20.550 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.749 -4.224 -18.800 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.065 -4.020 -22.072 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.009 -5.526 -22.158 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.464 -5.493 -21.276 1.00 0.00 H new ATOM 101 N PRO A 28 3.015 -7.828 -20.765 1.00 0.00 N ATOM 102 CA PRO A 28 3.843 -8.793 -21.552 1.00 0.00 C ATOM 103 C PRO A 28 4.840 -8.126 -22.523 1.00 0.00 C ATOM 104 O PRO A 28 5.945 -8.621 -22.718 1.00 0.00 O ATOM 105 CB PRO A 28 2.785 -9.648 -22.320 1.00 0.00 C ATOM 106 CG PRO A 28 1.455 -9.001 -22.034 1.00 0.00 C ATOM 107 CD PRO A 28 1.611 -8.318 -20.702 1.00 0.00 C ATOM 0 HA PRO A 28 4.488 -9.378 -20.896 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.993 -9.660 -23.390 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.798 -10.684 -21.981 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.193 -8.285 -22.813 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.658 -9.743 -22.002 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.900 -7.502 -20.577 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.456 -9.006 -19.871 1.00 0.00 H new ATOM 115 N GLU A 29 4.428 -6.992 -23.100 1.00 0.00 N ATOM 116 CA GLU A 29 5.254 -6.188 -24.021 1.00 0.00 C ATOM 117 C GLU A 29 6.517 -5.634 -23.319 1.00 0.00 C ATOM 118 O GLU A 29 7.626 -5.685 -23.869 1.00 0.00 O ATOM 119 CB GLU A 29 4.394 -5.028 -24.592 1.00 0.00 C ATOM 120 CG GLU A 29 3.071 -5.486 -25.251 1.00 0.00 C ATOM 121 CD GLU A 29 3.285 -6.525 -26.363 1.00 0.00 C ATOM 122 OE1 GLU A 29 3.841 -6.160 -27.423 1.00 0.00 O ATOM 123 OE2 GLU A 29 2.915 -7.708 -26.178 1.00 0.00 O ATOM 0 H GLU A 29 3.501 -6.598 -22.942 1.00 0.00 H new ATOM 0 HA GLU A 29 5.595 -6.829 -24.834 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.164 -4.331 -23.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.984 -4.481 -25.328 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.418 -5.908 -24.487 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.558 -4.618 -25.665 1.00 0.00 H new ATOM 130 N GLN A 30 6.318 -5.113 -22.103 1.00 0.00 N ATOM 131 CA GLN A 30 7.395 -4.545 -21.268 1.00 0.00 C ATOM 132 C GLN A 30 8.290 -5.667 -20.699 1.00 0.00 C ATOM 133 O GLN A 30 9.519 -5.556 -20.679 1.00 0.00 O ATOM 134 CB GLN A 30 6.773 -3.706 -20.118 1.00 0.00 C ATOM 135 CG GLN A 30 5.820 -2.578 -20.569 1.00 0.00 C ATOM 136 CD GLN A 30 6.480 -1.578 -21.516 1.00 0.00 C ATOM 137 OE1 GLN A 30 6.414 -1.719 -22.737 1.00 0.00 O ATOM 138 NE2 GLN A 30 7.142 -0.575 -20.957 1.00 0.00 N ATOM 0 H GLN A 30 5.399 -5.071 -21.663 1.00 0.00 H new ATOM 0 HA GLN A 30 8.019 -3.897 -21.884 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.228 -4.377 -19.454 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.581 -3.266 -19.533 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.953 -3.018 -21.062 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.452 -2.049 -19.690 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.176 -0.489 -19.941 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.618 0.111 -21.543 1.00 0.00 H new ATOM 147 N ALA A 31 7.636 -6.756 -20.264 1.00 0.00 N ATOM 148 CA ALA A 31 8.290 -7.937 -19.658 1.00 0.00 C ATOM 149 C ALA A 31 9.036 -8.782 -20.705 1.00 0.00 C ATOM 150 O ALA A 31 9.897 -9.596 -20.357 1.00 0.00 O ATOM 151 CB ALA A 31 7.242 -8.779 -18.921 1.00 0.00 C ATOM 0 H ALA A 31 6.622 -6.846 -20.322 1.00 0.00 H new ATOM 0 HA ALA A 31 9.038 -7.586 -18.947 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.723 -9.649 -18.474 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.778 -8.179 -18.138 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.479 -9.108 -19.626 1.00 0.00 H new ATOM 157 N ALA A 32 8.673 -8.601 -21.987 1.00 0.00 N ATOM 158 CA ALA A 32 9.378 -9.230 -23.120 1.00 0.00 C ATOM 159 C ALA A 32 10.815 -8.684 -23.221 1.00 0.00 C ATOM 160 O ALA A 32 11.750 -9.413 -23.563 1.00 0.00 O ATOM 161 CB ALA A 32 8.608 -8.978 -24.428 1.00 0.00 C ATOM 0 H ALA A 32 7.885 -8.017 -22.267 1.00 0.00 H new ATOM 0 HA ALA A 32 9.430 -10.306 -22.952 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.137 -9.447 -25.258 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.608 -9.403 -24.349 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.533 -7.905 -24.605 1.00 0.00 H new ATOM 167 N ALA A 33 10.964 -7.385 -22.903 1.00 0.00 N ATOM 168 CA ALA A 33 12.251 -6.674 -22.949 1.00 0.00 C ATOM 169 C ALA A 33 13.008 -6.796 -21.611 1.00 0.00 C ATOM 170 O ALA A 33 14.225 -7.011 -21.590 1.00 0.00 O ATOM 171 CB ALA A 33 12.005 -5.199 -23.302 1.00 0.00 C ATOM 0 H ALA A 33 10.187 -6.796 -22.605 1.00 0.00 H new ATOM 0 HA ALA A 33 12.876 -7.130 -23.717 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.957 -4.670 -23.337 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.518 -5.134 -24.275 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.365 -4.746 -22.545 1.00 0.00 H new ATOM 177 N LEU A 34 12.268 -6.647 -20.498 1.00 0.00 N ATOM 178 CA LEU A 34 12.844 -6.635 -19.138 1.00 0.00 C ATOM 179 C LEU A 34 12.965 -8.060 -18.580 1.00 0.00 C ATOM 180 O LEU A 34 12.026 -8.855 -18.676 1.00 0.00 O ATOM 181 CB LEU A 34 11.980 -5.754 -18.195 1.00 0.00 C ATOM 182 CG LEU A 34 11.931 -4.234 -18.558 1.00 0.00 C ATOM 183 CD1 LEU A 34 10.947 -3.463 -17.651 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.345 -3.604 -18.509 1.00 0.00 C ATOM 0 H LEU A 34 11.255 -6.531 -20.514 1.00 0.00 H new ATOM 0 HA LEU A 34 13.846 -6.209 -19.196 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.962 -6.143 -18.193 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.362 -5.856 -17.179 1.00 0.00 H new ATOM 0 HG LEU A 34 11.562 -4.154 -19.581 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.940 -2.410 -17.933 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.945 -3.876 -17.767 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.260 -3.558 -16.611 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.281 -2.547 -18.766 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.756 -3.710 -17.505 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.995 -4.112 -19.222 1.00 0.00 H new ATOM 196 N LYS A 35 14.133 -8.357 -17.996 1.00 0.00 N ATOM 197 CA LYS A 35 14.441 -9.653 -17.376 1.00 0.00 C ATOM 198 C LYS A 35 14.212 -9.568 -15.846 1.00 0.00 C ATOM 199 O LYS A 35 14.634 -8.584 -15.219 1.00 0.00 O ATOM 200 CB LYS A 35 15.913 -10.055 -17.688 1.00 0.00 C ATOM 201 CG LYS A 35 16.338 -11.435 -17.129 1.00 0.00 C ATOM 202 CD LYS A 35 17.781 -11.831 -17.511 1.00 0.00 C ATOM 203 CE LYS A 35 18.835 -10.832 -17.002 1.00 0.00 C ATOM 204 NZ LYS A 35 20.206 -11.225 -17.399 1.00 0.00 N ATOM 0 H LYS A 35 14.904 -7.692 -17.940 1.00 0.00 H new ATOM 0 HA LYS A 35 13.780 -10.416 -17.787 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.054 -10.057 -18.769 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.578 -9.293 -17.281 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.248 -11.423 -16.043 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.650 -12.196 -17.498 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.000 -12.819 -17.106 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.855 -11.908 -18.596 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.614 -9.840 -17.395 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.777 -10.765 -15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.886 -10.526 -17.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.427 -12.161 -17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.269 -11.264 -18.436 1.00 0.00 H new ATOM 218 N PRO A 36 13.534 -10.582 -15.217 1.00 0.00 N ATOM 219 CA PRO A 36 13.314 -10.618 -13.751 1.00 0.00 C ATOM 220 C PRO A 36 14.577 -11.009 -12.960 1.00 0.00 C ATOM 221 O PRO A 36 15.547 -11.534 -13.529 1.00 0.00 O ATOM 222 CB PRO A 36 12.218 -11.692 -13.604 1.00 0.00 C ATOM 223 CG PRO A 36 12.492 -12.635 -14.729 1.00 0.00 C ATOM 224 CD PRO A 36 12.914 -11.764 -15.885 1.00 0.00 C ATOM 0 HA PRO A 36 13.043 -9.641 -13.350 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.276 -12.194 -12.638 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.221 -11.259 -13.679 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.276 -13.345 -14.465 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.605 -13.217 -14.979 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.623 -12.276 -16.536 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.064 -11.476 -16.503 1.00 0.00 H new ATOM 232 N TYR A 37 14.552 -10.735 -11.648 1.00 0.00 N ATOM 233 CA TYR A 37 15.616 -11.162 -10.716 1.00 0.00 C ATOM 234 C TYR A 37 15.225 -12.495 -10.044 1.00 0.00 C ATOM 235 O TYR A 37 16.090 -13.272 -9.631 1.00 0.00 O ATOM 236 CB TYR A 37 15.919 -10.058 -9.654 1.00 0.00 C ATOM 237 CG TYR A 37 14.795 -9.766 -8.632 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.669 -9.031 -8.991 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.876 -10.207 -7.307 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.672 -8.746 -8.075 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.879 -9.929 -6.392 1.00 0.00 C ATOM 242 CZ TYR A 37 12.784 -9.197 -6.777 1.00 0.00 C ATOM 243 OH TYR A 37 11.799 -8.904 -5.864 1.00 0.00 O ATOM 0 H TYR A 37 13.799 -10.213 -11.200 1.00 0.00 H new ATOM 0 HA TYR A 37 16.532 -11.317 -11.286 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.815 -10.348 -9.105 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.153 -9.132 -10.180 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.571 -8.676 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.737 -10.778 -6.992 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.808 -8.172 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.961 -10.287 -5.376 1.00 0.00 H new ATOM 0 HH TYR A 37 12.202 -8.766 -4.981 1.00 0.00 H new ATOM 253 N ASP A 38 13.902 -12.738 -9.964 1.00 0.00 N ATOM 254 CA ASP A 38 13.327 -13.941 -9.341 1.00 0.00 C ATOM 255 C ASP A 38 11.918 -14.191 -9.940 1.00 0.00 C ATOM 256 O ASP A 38 11.460 -13.416 -10.790 1.00 0.00 O ATOM 257 CB ASP A 38 13.278 -13.748 -7.792 1.00 0.00 C ATOM 258 CG ASP A 38 12.940 -15.035 -7.017 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.828 -15.904 -6.874 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.783 -15.198 -6.573 1.00 0.00 O ATOM 0 H ASP A 38 13.199 -12.098 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 38 13.943 -14.816 -9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.243 -13.372 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.537 -12.986 -7.553 1.00 0.00 H new ATOM 265 N ARG A 39 11.260 -15.281 -9.528 1.00 0.00 N ATOM 266 CA ARG A 39 9.870 -15.597 -9.900 1.00 0.00 C ATOM 267 C ARG A 39 9.107 -16.040 -8.637 1.00 0.00 C ATOM 268 O ARG A 39 9.546 -16.948 -7.932 1.00 0.00 O ATOM 269 CB ARG A 39 9.849 -16.704 -10.997 1.00 0.00 C ATOM 270 CG ARG A 39 8.445 -17.258 -11.346 1.00 0.00 C ATOM 271 CD ARG A 39 8.459 -18.254 -12.521 1.00 0.00 C ATOM 272 NE ARG A 39 8.747 -17.589 -13.806 1.00 0.00 N ATOM 273 CZ ARG A 39 9.275 -18.173 -14.887 1.00 0.00 C ATOM 274 NH1 ARG A 39 9.692 -19.430 -14.851 1.00 0.00 N ATOM 275 NH2 ARG A 39 9.407 -17.479 -16.001 1.00 0.00 N ATOM 0 H ARG A 39 11.682 -15.981 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 39 9.381 -14.716 -10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.300 -16.303 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.477 -17.532 -10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.027 -17.749 -10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.784 -16.426 -11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.208 -19.023 -12.335 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.494 -18.757 -12.581 1.00 0.00 H new ATOM 0 HE ARG A 39 8.524 -16.596 -13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.613 -19.969 -13.989 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.092 -19.859 -15.686 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.107 -16.505 -16.033 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.809 -17.917 -16.830 1.00 0.00 H new ATOM 289 N ILE A 40 7.989 -15.359 -8.338 1.00 0.00 N ATOM 290 CA ILE A 40 7.094 -15.708 -7.216 1.00 0.00 C ATOM 291 C ILE A 40 6.012 -16.703 -7.656 1.00 0.00 C ATOM 292 O ILE A 40 5.748 -16.864 -8.850 1.00 0.00 O ATOM 293 CB ILE A 40 6.397 -14.436 -6.608 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.514 -13.702 -7.676 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.443 -13.488 -5.997 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.745 -12.502 -7.161 1.00 0.00 C ATOM 0 H ILE A 40 7.676 -14.546 -8.869 1.00 0.00 H new ATOM 0 HA ILE A 40 7.722 -16.167 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 40 5.731 -14.764 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.156 -13.378 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.804 -14.417 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.943 -12.613 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.985 -14.006 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.143 -13.172 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.166 -12.065 -7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.071 -12.816 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.444 -11.761 -6.774 1.00 0.00 H new ATOM 308 N VAL A 41 5.377 -17.334 -6.665 1.00 0.00 N ATOM 309 CA VAL A 41 4.294 -18.303 -6.869 1.00 0.00 C ATOM 310 C VAL A 41 3.230 -18.110 -5.773 1.00 0.00 C ATOM 311 O VAL A 41 3.563 -17.829 -4.615 1.00 0.00 O ATOM 312 CB VAL A 41 4.849 -19.785 -6.870 1.00 0.00 C ATOM 313 CG1 VAL A 41 5.611 -20.118 -5.561 1.00 0.00 C ATOM 314 CG2 VAL A 41 3.730 -20.821 -7.152 1.00 0.00 C ATOM 0 H VAL A 41 5.604 -17.184 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 41 3.838 -18.130 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 41 5.566 -19.851 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.975 -21.144 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.455 -19.438 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.939 -20.006 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.154 -21.825 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.962 -20.745 -6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.287 -20.622 -8.128 1.00 0.00 H new ATOM 324 N ILE A 42 1.948 -18.207 -6.166 1.00 0.00 N ATOM 325 CA ILE A 42 0.797 -18.191 -5.248 1.00 0.00 C ATOM 326 C ILE A 42 -0.195 -19.279 -5.714 1.00 0.00 C ATOM 327 O ILE A 42 -0.281 -19.582 -6.910 1.00 0.00 O ATOM 328 CB ILE A 42 0.057 -16.786 -5.175 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.502 -16.361 -6.570 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.981 -15.683 -4.585 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.430 -15.161 -6.553 1.00 0.00 C ATOM 0 H ILE A 42 1.679 -18.300 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 42 1.170 -18.384 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.790 -16.904 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.338 -16.142 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.035 -17.207 -7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.441 -14.737 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.285 -15.964 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.865 -15.574 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.764 -14.945 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.294 -15.378 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.899 -14.296 -6.154 1.00 0.00 H new ATOM 343 N THR A 43 -0.921 -19.875 -4.764 1.00 0.00 N ATOM 344 CA THR A 43 -1.939 -20.894 -5.056 1.00 0.00 C ATOM 345 C THR A 43 -3.210 -20.561 -4.262 1.00 0.00 C ATOM 346 O THR A 43 -3.133 -20.239 -3.070 1.00 0.00 O ATOM 347 CB THR A 43 -1.437 -22.335 -4.697 1.00 0.00 C ATOM 348 OG1 THR A 43 -0.129 -22.545 -5.261 1.00 0.00 O ATOM 349 CG2 THR A 43 -2.399 -23.424 -5.219 1.00 0.00 C ATOM 0 H THR A 43 -0.821 -19.666 -3.771 1.00 0.00 H new ATOM 0 HA THR A 43 -2.148 -20.884 -6.126 1.00 0.00 H new ATOM 0 HB THR A 43 -1.398 -22.412 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.184 -23.446 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.015 -24.408 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.384 -23.284 -4.773 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.478 -23.350 -6.304 1.00 0.00 H new ATOM 357 N GLY A 44 -4.368 -20.623 -4.933 1.00 0.00 N ATOM 358 CA GLY A 44 -5.662 -20.315 -4.324 1.00 0.00 C ATOM 359 C GLY A 44 -6.711 -21.352 -4.683 1.00 0.00 C ATOM 360 O GLY A 44 -6.455 -22.248 -5.496 1.00 0.00 O ATOM 0 H GLY A 44 -4.430 -20.889 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.553 -20.268 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.995 -19.331 -4.654 1.00 0.00 H new ATOM 364 N ARG A 45 -7.901 -21.218 -4.088 1.00 0.00 N ATOM 365 CA ARG A 45 -9.009 -22.159 -4.280 1.00 0.00 C ATOM 366 C ARG A 45 -10.335 -21.405 -4.140 1.00 0.00 C ATOM 367 O ARG A 45 -10.626 -20.875 -3.060 1.00 0.00 O ATOM 368 CB ARG A 45 -8.913 -23.309 -3.241 1.00 0.00 C ATOM 369 CG ARG A 45 -9.963 -24.428 -3.413 1.00 0.00 C ATOM 370 CD ARG A 45 -9.841 -25.534 -2.347 1.00 0.00 C ATOM 371 NE ARG A 45 -8.533 -26.222 -2.378 1.00 0.00 N ATOM 372 CZ ARG A 45 -8.271 -27.420 -1.819 1.00 0.00 C ATOM 373 NH1 ARG A 45 -9.226 -28.116 -1.211 1.00 0.00 N ATOM 374 NH2 ARG A 45 -7.048 -27.927 -1.894 1.00 0.00 N ATOM 0 H ARG A 45 -8.124 -20.449 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.955 -22.599 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.919 -23.751 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.014 -22.886 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.961 -23.993 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.855 -24.871 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.993 -25.098 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.634 -26.266 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.767 -25.752 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.175 -27.745 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.010 -29.021 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.310 -27.411 -2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.845 -28.833 -1.472 1.00 0.00 H new ATOM 388 N PHE A 46 -11.069 -21.277 -5.276 1.00 0.00 N ATOM 389 CA PHE A 46 -12.455 -20.713 -5.343 1.00 0.00 C ATOM 390 C PHE A 46 -12.428 -19.157 -5.366 1.00 0.00 C ATOM 391 O PHE A 46 -13.466 -18.488 -5.493 1.00 0.00 O ATOM 392 CB PHE A 46 -13.351 -21.296 -4.201 1.00 0.00 C ATOM 393 CG PHE A 46 -14.830 -20.909 -4.235 1.00 0.00 C ATOM 394 CD1 PHE A 46 -15.669 -21.376 -5.247 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.384 -20.073 -3.257 1.00 0.00 C ATOM 396 CE1 PHE A 46 -17.007 -21.021 -5.279 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.724 -19.720 -3.295 1.00 0.00 C ATOM 398 CZ PHE A 46 -17.535 -20.195 -4.304 1.00 0.00 C ATOM 0 H PHE A 46 -10.715 -21.565 -6.188 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.912 -21.023 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.281 -22.383 -4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.936 -20.978 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.270 -22.022 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.758 -19.698 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -17.642 -21.391 -6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.133 -19.072 -2.534 1.00 0.00 H new ATOM 0 HZ PHE A 46 -18.580 -19.923 -4.333 1.00 0.00 H new ATOM 408 N ASN A 47 -11.213 -18.607 -5.245 1.00 0.00 N ATOM 409 CA ASN A 47 -10.902 -17.181 -5.412 1.00 0.00 C ATOM 410 C ASN A 47 -11.007 -16.766 -6.893 1.00 0.00 C ATOM 411 O ASN A 47 -10.806 -17.586 -7.802 1.00 0.00 O ATOM 412 CB ASN A 47 -9.461 -16.897 -4.887 1.00 0.00 C ATOM 413 CG ASN A 47 -8.374 -17.774 -5.537 1.00 0.00 C ATOM 414 OD1 ASN A 47 -8.601 -18.939 -5.862 1.00 0.00 O ATOM 415 ND2 ASN A 47 -7.197 -17.226 -5.761 1.00 0.00 N ATOM 0 H ASN A 47 -10.389 -19.164 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.624 -16.599 -4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.221 -15.848 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.441 -17.052 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.459 -17.769 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.024 -16.259 -5.486 1.00 0.00 H new ATOM 422 N ALA A 48 -11.316 -15.487 -7.120 1.00 0.00 N ATOM 423 CA ALA A 48 -11.423 -14.909 -8.468 1.00 0.00 C ATOM 424 C ALA A 48 -10.060 -14.380 -8.949 1.00 0.00 C ATOM 425 O ALA A 48 -9.085 -14.334 -8.183 1.00 0.00 O ATOM 426 CB ALA A 48 -12.479 -13.793 -8.480 1.00 0.00 C ATOM 0 H ALA A 48 -11.500 -14.818 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.737 -15.692 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.551 -13.371 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.446 -14.204 -8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.190 -13.011 -7.777 1.00 0.00 H new ATOM 432 N ILE A 49 -10.012 -13.980 -10.237 1.00 0.00 N ATOM 433 CA ILE A 49 -8.822 -13.366 -10.858 1.00 0.00 C ATOM 434 C ILE A 49 -8.422 -12.058 -10.120 1.00 0.00 C ATOM 435 O ILE A 49 -7.239 -11.766 -9.987 1.00 0.00 O ATOM 436 CB ILE A 49 -9.050 -13.106 -12.403 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.774 -12.511 -13.102 1.00 0.00 C ATOM 438 CG2 ILE A 49 -10.286 -12.203 -12.644 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.535 -13.404 -13.071 1.00 0.00 C ATOM 0 H ILE A 49 -10.801 -14.075 -10.877 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.995 -14.070 -10.762 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.243 -14.076 -12.860 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.018 -12.293 -14.142 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.529 -11.561 -12.626 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.416 -12.043 -13.714 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.175 -12.687 -12.239 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.138 -11.243 -12.149 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.712 -12.902 -13.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.256 -13.603 -12.036 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.752 -14.345 -13.575 1.00 0.00 H new ATOM 451 N GLY A 50 -9.425 -11.324 -9.584 1.00 0.00 N ATOM 452 CA GLY A 50 -9.174 -10.097 -8.803 1.00 0.00 C ATOM 453 C GLY A 50 -8.428 -10.364 -7.493 1.00 0.00 C ATOM 454 O GLY A 50 -7.592 -9.555 -7.059 1.00 0.00 O ATOM 0 H GLY A 50 -10.412 -11.562 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.595 -9.399 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.125 -9.613 -8.581 1.00 0.00 H new ATOM 458 N ASP A 51 -8.739 -11.518 -6.871 1.00 0.00 N ATOM 459 CA ASP A 51 -8.070 -11.991 -5.640 1.00 0.00 C ATOM 460 C ASP A 51 -6.643 -12.460 -5.952 1.00 0.00 C ATOM 461 O ASP A 51 -5.723 -12.288 -5.136 1.00 0.00 O ATOM 462 CB ASP A 51 -8.864 -13.151 -4.998 1.00 0.00 C ATOM 463 CG ASP A 51 -10.296 -12.746 -4.642 1.00 0.00 C ATOM 464 OD1 ASP A 51 -11.191 -12.871 -5.500 1.00 0.00 O ATOM 465 OD2 ASP A 51 -10.527 -12.266 -3.512 1.00 0.00 O ATOM 0 H ASP A 51 -9.464 -12.152 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.029 -11.158 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.888 -13.996 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.349 -13.487 -4.098 1.00 0.00 H new ATOM 470 N ALA A 52 -6.480 -13.061 -7.147 1.00 0.00 N ATOM 471 CA ALA A 52 -5.178 -13.525 -7.654 1.00 0.00 C ATOM 472 C ALA A 52 -4.237 -12.330 -7.909 1.00 0.00 C ATOM 473 O ALA A 52 -3.069 -12.371 -7.522 1.00 0.00 O ATOM 474 CB ALA A 52 -5.362 -14.360 -8.937 1.00 0.00 C ATOM 0 H ALA A 52 -7.253 -13.238 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.721 -14.161 -6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.389 -14.694 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.986 -15.227 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.842 -13.750 -9.702 1.00 0.00 H new ATOM 480 N VAL A 53 -4.784 -11.256 -8.522 1.00 0.00 N ATOM 481 CA VAL A 53 -4.017 -10.036 -8.864 1.00 0.00 C ATOM 482 C VAL A 53 -3.535 -9.304 -7.593 1.00 0.00 C ATOM 483 O VAL A 53 -2.375 -8.893 -7.517 1.00 0.00 O ATOM 484 CB VAL A 53 -4.838 -9.064 -9.802 1.00 0.00 C ATOM 485 CG1 VAL A 53 -4.117 -7.703 -10.007 1.00 0.00 C ATOM 486 CG2 VAL A 53 -5.118 -9.738 -11.172 1.00 0.00 C ATOM 0 H VAL A 53 -5.766 -11.210 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.138 -10.358 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.786 -8.860 -9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.717 -7.068 -10.658 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.985 -7.212 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.142 -7.873 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.684 -9.054 -11.805 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.173 -9.983 -11.657 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.694 -10.651 -11.018 1.00 0.00 H new ATOM 496 N SER A 54 -4.418 -9.187 -6.587 1.00 0.00 N ATOM 497 CA SER A 54 -4.078 -8.527 -5.307 1.00 0.00 C ATOM 498 C SER A 54 -3.014 -9.329 -4.532 1.00 0.00 C ATOM 499 O SER A 54 -2.081 -8.748 -3.970 1.00 0.00 O ATOM 500 CB SER A 54 -5.344 -8.326 -4.448 1.00 0.00 C ATOM 501 OG SER A 54 -6.077 -9.529 -4.305 1.00 0.00 O ATOM 0 H SER A 54 -5.374 -9.540 -6.632 1.00 0.00 H new ATOM 0 HA SER A 54 -3.656 -7.548 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.060 -7.954 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.977 -7.566 -4.906 1.00 0.00 H new ATOM 0 HG SER A 54 -5.629 -10.246 -4.801 1.00 0.00 H new ATOM 507 N ALA A 55 -3.155 -10.668 -4.537 1.00 0.00 N ATOM 508 CA ALA A 55 -2.231 -11.575 -3.829 1.00 0.00 C ATOM 509 C ALA A 55 -0.836 -11.592 -4.480 1.00 0.00 C ATOM 510 O ALA A 55 0.178 -11.602 -3.780 1.00 0.00 O ATOM 511 CB ALA A 55 -2.817 -12.992 -3.771 1.00 0.00 C ATOM 0 H ALA A 55 -3.908 -11.150 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.111 -11.199 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.125 -13.651 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.770 -12.970 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.973 -13.363 -4.784 1.00 0.00 H new ATOM 517 N VAL A 56 -0.799 -11.575 -5.825 1.00 0.00 N ATOM 518 CA VAL A 56 0.462 -11.656 -6.593 1.00 0.00 C ATOM 519 C VAL A 56 1.186 -10.291 -6.609 1.00 0.00 C ATOM 520 O VAL A 56 2.416 -10.236 -6.670 1.00 0.00 O ATOM 521 CB VAL A 56 0.209 -12.185 -8.062 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.512 -11.154 -8.944 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.501 -12.685 -8.730 1.00 0.00 C ATOM 0 H VAL A 56 -1.633 -11.505 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 56 1.110 -12.375 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.459 -13.041 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.660 -11.569 -9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.479 -10.912 -8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.092 -10.249 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.277 -13.038 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.222 -11.869 -8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.921 -13.502 -8.144 1.00 0.00 H new ATOM 533 N SER A 57 0.405 -9.195 -6.526 1.00 0.00 N ATOM 534 CA SER A 57 0.945 -7.821 -6.476 1.00 0.00 C ATOM 535 C SER A 57 1.556 -7.542 -5.093 1.00 0.00 C ATOM 536 O SER A 57 2.627 -6.939 -4.984 1.00 0.00 O ATOM 537 CB SER A 57 -0.170 -6.793 -6.784 1.00 0.00 C ATOM 538 OG SER A 57 0.338 -5.472 -6.870 1.00 0.00 O ATOM 0 H SER A 57 -0.614 -9.237 -6.492 1.00 0.00 H new ATOM 0 HA SER A 57 1.725 -7.725 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.657 -7.056 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.932 -6.839 -6.006 1.00 0.00 H new ATOM 0 HG SER A 57 0.714 -5.323 -7.763 1.00 0.00 H new ATOM 544 N ARG A 58 0.856 -8.007 -4.043 1.00 0.00 N ATOM 545 CA ARG A 58 1.284 -7.833 -2.648 1.00 0.00 C ATOM 546 C ARG A 58 2.522 -8.703 -2.360 1.00 0.00 C ATOM 547 O ARG A 58 3.457 -8.254 -1.706 1.00 0.00 O ATOM 548 CB ARG A 58 0.124 -8.180 -1.676 1.00 0.00 C ATOM 549 CG ARG A 58 0.425 -7.919 -0.185 1.00 0.00 C ATOM 550 CD ARG A 58 0.763 -6.442 0.104 1.00 0.00 C ATOM 551 NE ARG A 58 0.905 -6.199 1.551 1.00 0.00 N ATOM 552 CZ ARG A 58 1.877 -5.487 2.143 1.00 0.00 C ATOM 553 NH1 ARG A 58 2.809 -4.871 1.433 1.00 0.00 N ATOM 554 NH2 ARG A 58 1.904 -5.388 3.460 1.00 0.00 N ATOM 0 H ARG A 58 -0.023 -8.514 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 58 1.554 -6.789 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.755 -7.601 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.133 -9.232 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.438 -8.214 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.259 -8.547 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.688 -6.172 -0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.021 -5.801 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 58 0.198 -6.611 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.798 -4.932 0.415 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.538 -4.335 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.189 -5.851 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.640 -4.849 3.916 1.00 0.00 H new ATOM 568 N ARG A 59 2.509 -9.943 -2.880 1.00 0.00 N ATOM 569 CA ARG A 59 3.650 -10.878 -2.778 1.00 0.00 C ATOM 570 C ARG A 59 4.893 -10.277 -3.458 1.00 0.00 C ATOM 571 O ARG A 59 5.969 -10.251 -2.859 1.00 0.00 O ATOM 572 CB ARG A 59 3.263 -12.266 -3.374 1.00 0.00 C ATOM 573 CG ARG A 59 4.389 -13.336 -3.474 1.00 0.00 C ATOM 574 CD ARG A 59 5.212 -13.520 -2.182 1.00 0.00 C ATOM 575 NE ARG A 59 4.391 -13.777 -0.986 1.00 0.00 N ATOM 576 CZ ARG A 59 4.754 -13.491 0.277 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.923 -12.907 0.543 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.937 -13.779 1.272 1.00 0.00 N ATOM 0 H ARG A 59 1.709 -10.328 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 59 3.899 -11.034 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.456 -12.680 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.861 -12.104 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.941 -14.292 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.064 -13.060 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.906 -14.349 -2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.812 -12.626 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 59 3.476 -14.205 -1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.559 -12.669 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.181 -12.698 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.035 -14.216 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.207 -13.564 2.232 1.00 0.00 H new ATOM 592 N ALA A 60 4.705 -9.748 -4.680 1.00 0.00 N ATOM 593 CA ALA A 60 5.779 -9.067 -5.441 1.00 0.00 C ATOM 594 C ALA A 60 6.371 -7.886 -4.646 1.00 0.00 C ATOM 595 O ALA A 60 7.593 -7.718 -4.568 1.00 0.00 O ATOM 596 CB ALA A 60 5.232 -8.585 -6.792 1.00 0.00 C ATOM 0 H ALA A 60 3.811 -9.778 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 60 6.583 -9.783 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.025 -8.085 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.871 -9.440 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.411 -7.888 -6.624 1.00 0.00 H new ATOM 602 N ASP A 61 5.471 -7.105 -4.028 1.00 0.00 N ATOM 603 CA ASP A 61 5.824 -5.953 -3.177 1.00 0.00 C ATOM 604 C ASP A 61 6.665 -6.401 -1.964 1.00 0.00 C ATOM 605 O ASP A 61 7.654 -5.755 -1.605 1.00 0.00 O ATOM 606 CB ASP A 61 4.516 -5.255 -2.721 1.00 0.00 C ATOM 607 CG ASP A 61 4.697 -4.011 -1.827 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.669 -3.238 -2.015 1.00 0.00 O ATOM 609 OD2 ASP A 61 3.834 -3.770 -0.955 1.00 0.00 O ATOM 0 H ASP A 61 4.465 -7.256 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 61 6.432 -5.250 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.954 -4.963 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.907 -5.981 -2.182 1.00 0.00 H new ATOM 614 N GLU A 62 6.288 -7.548 -1.373 1.00 0.00 N ATOM 615 CA GLU A 62 6.975 -8.121 -0.199 1.00 0.00 C ATOM 616 C GLU A 62 8.325 -8.763 -0.566 1.00 0.00 C ATOM 617 O GLU A 62 9.106 -9.103 0.326 1.00 0.00 O ATOM 618 CB GLU A 62 6.045 -9.136 0.524 1.00 0.00 C ATOM 619 CG GLU A 62 4.788 -8.495 1.158 1.00 0.00 C ATOM 620 CD GLU A 62 5.122 -7.432 2.225 1.00 0.00 C ATOM 621 OE1 GLU A 62 5.301 -6.238 1.880 1.00 0.00 O ATOM 622 OE2 GLU A 62 5.218 -7.786 3.419 1.00 0.00 O ATOM 0 H GLU A 62 5.497 -8.106 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 62 7.199 -7.302 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.731 -9.898 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.614 -9.644 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.186 -8.036 0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.178 -9.277 1.611 1.00 0.00 H new ATOM 629 N GLU A 63 8.591 -8.952 -1.871 1.00 0.00 N ATOM 630 CA GLU A 63 9.917 -9.396 -2.355 1.00 0.00 C ATOM 631 C GLU A 63 10.828 -8.189 -2.635 1.00 0.00 C ATOM 632 O GLU A 63 12.041 -8.347 -2.825 1.00 0.00 O ATOM 633 CB GLU A 63 9.777 -10.260 -3.636 1.00 0.00 C ATOM 634 CG GLU A 63 8.781 -11.427 -3.527 1.00 0.00 C ATOM 635 CD GLU A 63 8.936 -12.297 -2.262 1.00 0.00 C ATOM 636 OE1 GLU A 63 9.903 -13.082 -2.170 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.092 -12.194 -1.341 1.00 0.00 O ATOM 0 H GLU A 63 7.906 -8.805 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 63 10.370 -10.004 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.469 -9.615 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.757 -10.661 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.768 -11.025 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.893 -12.064 -4.404 1.00 0.00 H new ATOM 644 N GLY A 64 10.224 -6.983 -2.661 1.00 0.00 N ATOM 645 CA GLY A 64 10.938 -5.742 -2.982 1.00 0.00 C ATOM 646 C GLY A 64 10.824 -5.361 -4.453 1.00 0.00 C ATOM 647 O GLY A 64 11.441 -4.383 -4.895 1.00 0.00 O ATOM 0 H GLY A 64 9.233 -6.848 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.543 -4.932 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.990 -5.855 -2.721 1.00 0.00 H new ATOM 651 N ALA A 65 10.021 -6.125 -5.207 1.00 0.00 N ATOM 652 CA ALA A 65 9.842 -5.928 -6.649 1.00 0.00 C ATOM 653 C ALA A 65 8.954 -4.713 -6.943 1.00 0.00 C ATOM 654 O ALA A 65 7.854 -4.585 -6.389 1.00 0.00 O ATOM 655 CB ALA A 65 9.240 -7.181 -7.286 1.00 0.00 C ATOM 0 H ALA A 65 9.476 -6.900 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 65 10.825 -5.742 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.113 -7.020 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.906 -8.028 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.271 -7.390 -6.833 1.00 0.00 H new ATOM 661 N ALA A 66 9.455 -3.837 -7.826 1.00 0.00 N ATOM 662 CA ALA A 66 8.721 -2.663 -8.326 1.00 0.00 C ATOM 663 C ALA A 66 7.552 -3.087 -9.232 1.00 0.00 C ATOM 664 O ALA A 66 6.491 -2.455 -9.242 1.00 0.00 O ATOM 665 CB ALA A 66 9.681 -1.747 -9.099 1.00 0.00 C ATOM 0 H ALA A 66 10.392 -3.924 -8.218 1.00 0.00 H new ATOM 0 HA ALA A 66 8.309 -2.123 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.136 -0.878 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.482 -1.418 -8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.107 -2.293 -9.941 1.00 0.00 H new ATOM 671 N SER A 67 7.787 -4.157 -10.005 1.00 0.00 N ATOM 672 CA SER A 67 6.825 -4.692 -10.976 1.00 0.00 C ATOM 673 C SER A 67 6.778 -6.230 -10.916 1.00 0.00 C ATOM 674 O SER A 67 7.662 -6.865 -10.335 1.00 0.00 O ATOM 675 CB SER A 67 7.200 -4.208 -12.401 1.00 0.00 C ATOM 676 OG SER A 67 7.187 -2.784 -12.494 1.00 0.00 O ATOM 0 H SER A 67 8.662 -4.681 -9.972 1.00 0.00 H new ATOM 0 HA SER A 67 5.831 -4.322 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.190 -4.581 -12.663 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.500 -4.627 -13.124 1.00 0.00 H new ATOM 0 HG SER A 67 7.429 -2.513 -13.404 1.00 0.00 H new ATOM 682 N PHE A 68 5.726 -6.803 -11.513 1.00 0.00 N ATOM 683 CA PHE A 68 5.558 -8.259 -11.660 1.00 0.00 C ATOM 684 C PHE A 68 4.876 -8.548 -13.003 1.00 0.00 C ATOM 685 O PHE A 68 4.101 -7.727 -13.488 1.00 0.00 O ATOM 686 CB PHE A 68 4.708 -8.846 -10.492 1.00 0.00 C ATOM 687 CG PHE A 68 3.215 -8.473 -10.531 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.761 -7.256 -10.025 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.274 -9.336 -11.106 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.417 -6.921 -10.085 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.937 -8.991 -11.167 1.00 0.00 C ATOM 692 CZ PHE A 68 0.508 -7.790 -10.655 1.00 0.00 C ATOM 0 H PHE A 68 4.957 -6.265 -11.913 1.00 0.00 H new ATOM 0 HA PHE A 68 6.539 -8.733 -11.630 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.797 -9.932 -10.506 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.129 -8.504 -9.547 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.464 -6.566 -9.581 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.598 -10.285 -11.508 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.080 -5.977 -9.684 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.227 -9.668 -11.619 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.538 -7.526 -10.698 1.00 0.00 H new ATOM 702 N TYR A 69 5.126 -9.722 -13.575 1.00 0.00 N ATOM 703 CA TYR A 69 4.401 -10.209 -14.755 1.00 0.00 C ATOM 704 C TYR A 69 3.944 -11.645 -14.509 1.00 0.00 C ATOM 705 O TYR A 69 4.779 -12.530 -14.326 1.00 0.00 O ATOM 706 CB TYR A 69 5.280 -10.136 -16.030 1.00 0.00 C ATOM 707 CG TYR A 69 4.674 -10.860 -17.246 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.463 -10.440 -17.797 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.291 -11.984 -17.818 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.892 -11.104 -18.860 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.720 -12.643 -18.891 1.00 0.00 C ATOM 712 CZ TYR A 69 3.521 -12.199 -19.403 1.00 0.00 C ATOM 713 OH TYR A 69 2.939 -12.860 -20.458 1.00 0.00 O ATOM 0 H TYR A 69 5.839 -10.368 -13.236 1.00 0.00 H new ATOM 0 HA TYR A 69 3.534 -9.569 -14.917 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.444 -9.090 -16.287 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.257 -10.568 -15.812 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.963 -9.577 -17.382 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.227 -12.340 -17.413 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.951 -10.765 -19.267 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.211 -13.501 -19.325 1.00 0.00 H new ATOM 0 HH TYR A 69 3.508 -13.611 -20.728 1.00 0.00 H new ATOM 723 N VAL A 70 2.617 -11.866 -14.518 1.00 0.00 N ATOM 724 CA VAL A 70 2.033 -13.213 -14.465 1.00 0.00 C ATOM 725 C VAL A 70 2.444 -13.980 -15.733 1.00 0.00 C ATOM 726 O VAL A 70 1.969 -13.677 -16.829 1.00 0.00 O ATOM 727 CB VAL A 70 0.469 -13.169 -14.312 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.140 -14.595 -14.316 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.060 -12.385 -13.035 1.00 0.00 C ATOM 0 H VAL A 70 1.925 -11.118 -14.562 1.00 0.00 H new ATOM 0 HA VAL A 70 2.414 -13.728 -13.583 1.00 0.00 H new ATOM 0 HB VAL A 70 0.064 -12.640 -15.175 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.223 -14.529 -14.208 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.102 -15.091 -15.256 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.272 -15.169 -13.486 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.027 -12.368 -12.951 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.485 -12.872 -12.157 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.435 -11.363 -13.100 1.00 0.00 H new ATOM 739 N VAL A 71 3.363 -14.945 -15.572 1.00 0.00 N ATOM 740 CA VAL A 71 3.973 -15.654 -16.702 1.00 0.00 C ATOM 741 C VAL A 71 3.101 -16.850 -17.111 1.00 0.00 C ATOM 742 O VAL A 71 3.064 -17.237 -18.288 1.00 0.00 O ATOM 743 CB VAL A 71 5.444 -16.104 -16.358 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.497 -17.098 -15.171 1.00 0.00 C ATOM 745 CG2 VAL A 71 6.185 -16.658 -17.605 1.00 0.00 C ATOM 0 H VAL A 71 3.701 -15.252 -14.660 1.00 0.00 H new ATOM 0 HA VAL A 71 4.032 -14.972 -17.550 1.00 0.00 H new ATOM 0 HB VAL A 71 5.974 -15.207 -16.037 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.533 -17.376 -14.975 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.074 -16.628 -14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.922 -17.991 -15.418 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.195 -16.957 -17.325 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.646 -17.521 -17.995 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.235 -15.885 -18.372 1.00 0.00 H new ATOM 755 N ASP A 72 2.363 -17.398 -16.122 1.00 0.00 N ATOM 756 CA ASP A 72 1.556 -18.606 -16.305 1.00 0.00 C ATOM 757 C ASP A 72 0.453 -18.706 -15.235 1.00 0.00 C ATOM 758 O ASP A 72 0.714 -18.569 -14.036 1.00 0.00 O ATOM 759 CB ASP A 72 2.470 -19.853 -16.243 1.00 0.00 C ATOM 760 CG ASP A 72 1.700 -21.177 -16.398 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.394 -21.576 -17.541 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.381 -21.815 -15.376 1.00 0.00 O ATOM 0 H ASP A 72 2.315 -17.011 -15.180 1.00 0.00 H new ATOM 0 HA ASP A 72 1.073 -18.554 -17.281 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.222 -19.784 -17.029 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.002 -19.859 -15.292 1.00 0.00 H new ATOM 767 N THR A 73 -0.781 -18.936 -15.697 1.00 0.00 N ATOM 768 CA THR A 73 -1.909 -19.357 -14.858 1.00 0.00 C ATOM 769 C THR A 73 -2.302 -20.786 -15.265 1.00 0.00 C ATOM 770 O THR A 73 -2.699 -21.034 -16.408 1.00 0.00 O ATOM 771 CB THR A 73 -3.136 -18.388 -15.009 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.439 -18.189 -16.400 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.892 -17.022 -14.344 1.00 0.00 C ATOM 0 H THR A 73 -1.028 -18.833 -16.681 1.00 0.00 H new ATOM 0 HA THR A 73 -1.608 -19.328 -13.811 1.00 0.00 H new ATOM 0 HB THR A 73 -3.977 -18.860 -14.502 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.368 -19.043 -16.876 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.770 -16.390 -14.477 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.705 -17.164 -13.280 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.027 -16.543 -14.803 1.00 0.00 H new ATOM 781 N SER A 74 -2.136 -21.725 -14.335 1.00 0.00 N ATOM 782 CA SER A 74 -2.550 -23.123 -14.512 1.00 0.00 C ATOM 783 C SER A 74 -3.377 -23.549 -13.302 1.00 0.00 C ATOM 784 O SER A 74 -3.108 -23.103 -12.190 1.00 0.00 O ATOM 785 CB SER A 74 -1.321 -24.046 -14.666 1.00 0.00 C ATOM 786 OG SER A 74 -0.626 -23.787 -15.873 1.00 0.00 O ATOM 0 H SER A 74 -1.707 -21.539 -13.428 1.00 0.00 H new ATOM 0 HA SER A 74 -3.148 -23.207 -15.420 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.649 -23.903 -13.820 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.642 -25.088 -14.646 1.00 0.00 H new ATOM 0 HG SER A 74 0.064 -23.110 -15.714 1.00 0.00 H new ATOM 792 N GLU A 75 -4.383 -24.411 -13.519 1.00 0.00 N ATOM 793 CA GLU A 75 -5.157 -24.987 -12.413 1.00 0.00 C ATOM 794 C GLU A 75 -4.277 -25.963 -11.618 1.00 0.00 C ATOM 795 O GLU A 75 -3.337 -26.546 -12.169 1.00 0.00 O ATOM 796 CB GLU A 75 -6.435 -25.703 -12.917 1.00 0.00 C ATOM 797 CG GLU A 75 -6.196 -26.952 -13.796 1.00 0.00 C ATOM 798 CD GLU A 75 -7.463 -27.802 -13.995 1.00 0.00 C ATOM 799 OE1 GLU A 75 -8.411 -27.327 -14.657 1.00 0.00 O ATOM 800 OE2 GLU A 75 -7.522 -28.943 -13.487 1.00 0.00 O ATOM 0 H GLU A 75 -4.677 -24.722 -14.445 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.475 -24.171 -11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.030 -25.997 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.030 -24.989 -13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.820 -26.637 -14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.421 -27.567 -13.339 1.00 0.00 H new ATOM 866 N ASN A 81 -9.541 -25.029 -7.517 1.00 0.00 N ATOM 867 CA ASN A 81 -8.190 -24.782 -6.971 1.00 0.00 C ATOM 868 C ASN A 81 -7.252 -24.493 -8.142 1.00 0.00 C ATOM 869 O ASN A 81 -6.993 -25.384 -8.943 1.00 0.00 O ATOM 870 CB ASN A 81 -7.692 -26.017 -6.153 1.00 0.00 C ATOM 871 CG ASN A 81 -6.440 -25.822 -5.264 1.00 0.00 C ATOM 872 OD1 ASN A 81 -6.280 -26.527 -4.271 1.00 0.00 O ATOM 873 ND2 ASN A 81 -5.541 -24.893 -5.580 1.00 0.00 N ATOM 0 HA ASN A 81 -8.210 -23.930 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.510 -26.351 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.485 -26.825 -6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.714 -24.764 -4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.679 -24.310 -6.406 1.00 0.00 H new ATOM 880 N TRP A 82 -6.741 -23.257 -8.232 1.00 0.00 N ATOM 881 CA TRP A 82 -5.877 -22.830 -9.347 1.00 0.00 C ATOM 882 C TRP A 82 -4.655 -22.042 -8.827 1.00 0.00 C ATOM 883 O TRP A 82 -4.744 -21.301 -7.844 1.00 0.00 O ATOM 884 CB TRP A 82 -6.702 -22.023 -10.392 1.00 0.00 C ATOM 885 CG TRP A 82 -7.250 -20.682 -9.914 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.041 -20.436 -8.820 1.00 0.00 C ATOM 887 CD2 TRP A 82 -7.062 -19.411 -10.552 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.324 -19.096 -8.730 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.742 -18.447 -9.783 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.378 -18.996 -11.696 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.755 -17.098 -10.122 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.389 -17.656 -12.033 1.00 0.00 C ATOM 893 CH2 TRP A 82 -7.082 -16.722 -11.251 1.00 0.00 C ATOM 0 H TRP A 82 -6.912 -22.528 -7.540 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.488 -23.714 -9.852 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.074 -21.847 -11.265 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.539 -22.640 -10.721 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.391 -21.189 -8.129 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.879 -18.656 -7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.849 -19.711 -12.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.278 -16.374 -9.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.856 -17.324 -12.912 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.084 -15.683 -11.547 1.00 0.00 H new ATOM 904 N ARG A 83 -3.514 -22.248 -9.502 1.00 0.00 N ATOM 905 CA ARG A 83 -2.211 -21.672 -9.140 1.00 0.00 C ATOM 906 C ARG A 83 -1.829 -20.572 -10.152 1.00 0.00 C ATOM 907 O ARG A 83 -1.885 -20.774 -11.369 1.00 0.00 O ATOM 908 CB ARG A 83 -1.152 -22.829 -9.089 1.00 0.00 C ATOM 909 CG ARG A 83 0.276 -22.456 -8.585 1.00 0.00 C ATOM 910 CD ARG A 83 1.185 -21.832 -9.664 1.00 0.00 C ATOM 911 NE ARG A 83 1.444 -22.765 -10.779 1.00 0.00 N ATOM 912 CZ ARG A 83 1.365 -22.472 -12.082 1.00 0.00 C ATOM 913 NH1 ARG A 83 0.882 -21.305 -12.510 1.00 0.00 N ATOM 914 NH2 ARG A 83 1.721 -23.382 -12.970 1.00 0.00 N ATOM 0 H ARG A 83 -3.471 -22.834 -10.335 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.252 -21.202 -8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.543 -23.619 -8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.059 -23.249 -10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.185 -21.756 -7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.757 -23.353 -8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.719 -20.926 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.132 -21.535 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 83 1.707 -23.719 -10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.561 -20.608 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.834 -21.109 -13.510 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.051 -24.296 -12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.666 -23.171 -13.966 1.00 0.00 H new ATOM 928 N VAL A 84 -1.429 -19.402 -9.632 1.00 0.00 N ATOM 929 CA VAL A 84 -0.927 -18.274 -10.433 1.00 0.00 C ATOM 930 C VAL A 84 0.564 -18.090 -10.119 1.00 0.00 C ATOM 931 O VAL A 84 0.946 -17.993 -8.953 1.00 0.00 O ATOM 932 CB VAL A 84 -1.722 -16.952 -10.110 1.00 0.00 C ATOM 933 CG1 VAL A 84 -1.207 -15.737 -10.926 1.00 0.00 C ATOM 934 CG2 VAL A 84 -3.236 -17.163 -10.329 1.00 0.00 C ATOM 0 H VAL A 84 -1.445 -19.210 -8.630 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.067 -18.488 -11.493 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.549 -16.720 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.788 -14.852 -10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.156 -15.562 -10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.315 -15.942 -11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.769 -16.240 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.418 -17.440 -11.367 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.591 -17.958 -9.673 1.00 0.00 H new ATOM 944 N VAL A 85 1.411 -18.091 -11.155 1.00 0.00 N ATOM 945 CA VAL A 85 2.863 -17.884 -10.997 1.00 0.00 C ATOM 946 C VAL A 85 3.281 -16.658 -11.825 1.00 0.00 C ATOM 947 O VAL A 85 2.769 -16.436 -12.938 1.00 0.00 O ATOM 948 CB VAL A 85 3.679 -19.176 -11.396 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.658 -19.462 -12.906 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.126 -19.138 -10.860 1.00 0.00 C ATOM 0 H VAL A 85 1.116 -18.234 -12.121 1.00 0.00 H new ATOM 0 HA VAL A 85 3.092 -17.696 -9.948 1.00 0.00 H new ATOM 0 HB VAL A 85 3.164 -20.006 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.236 -20.362 -13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.629 -19.608 -13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.094 -18.619 -13.442 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.649 -20.047 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.643 -18.270 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.109 -19.070 -9.772 1.00 0.00 H new ATOM 960 N ALA A 86 4.186 -15.846 -11.267 1.00 0.00 N ATOM 961 CA ALA A 86 4.594 -14.567 -11.868 1.00 0.00 C ATOM 962 C ALA A 86 6.077 -14.300 -11.632 1.00 0.00 C ATOM 963 O ALA A 86 6.602 -14.624 -10.576 1.00 0.00 O ATOM 964 CB ALA A 86 3.769 -13.412 -11.281 1.00 0.00 C ATOM 0 H ALA A 86 4.657 -16.055 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 86 4.415 -14.632 -12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.083 -12.473 -11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.712 -13.579 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.926 -13.364 -10.203 1.00 0.00 H new ATOM 970 N ASP A 87 6.739 -13.703 -12.618 1.00 0.00 N ATOM 971 CA ASP A 87 8.090 -13.153 -12.453 1.00 0.00 C ATOM 972 C ASP A 87 8.021 -11.808 -11.722 1.00 0.00 C ATOM 973 O ASP A 87 6.986 -11.139 -11.740 1.00 0.00 O ATOM 974 CB ASP A 87 8.766 -12.988 -13.825 1.00 0.00 C ATOM 975 CG ASP A 87 9.082 -14.335 -14.487 1.00 0.00 C ATOM 976 OD1 ASP A 87 10.097 -14.964 -14.124 1.00 0.00 O ATOM 977 OD2 ASP A 87 8.310 -14.789 -15.349 1.00 0.00 O ATOM 0 H ASP A 87 6.358 -13.584 -13.557 1.00 0.00 H new ATOM 0 HA ASP A 87 8.685 -13.844 -11.856 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.116 -12.408 -14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.688 -12.419 -13.707 1.00 0.00 H new ATOM 982 N VAL A 88 9.126 -11.423 -11.069 1.00 0.00 N ATOM 983 CA VAL A 88 9.224 -10.156 -10.322 1.00 0.00 C ATOM 984 C VAL A 88 10.452 -9.356 -10.778 1.00 0.00 C ATOM 985 O VAL A 88 11.513 -9.927 -11.044 1.00 0.00 O ATOM 986 CB VAL A 88 9.237 -10.393 -8.765 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.825 -10.735 -8.259 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.244 -11.489 -8.341 1.00 0.00 C ATOM 0 H VAL A 88 9.980 -11.980 -11.042 1.00 0.00 H new ATOM 0 HA VAL A 88 8.333 -9.569 -10.544 1.00 0.00 H new ATOM 0 HB VAL A 88 9.566 -9.461 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.854 -10.895 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.148 -9.911 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.472 -11.641 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.213 -11.613 -7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.980 -12.431 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.249 -11.196 -8.644 1.00 0.00 H new ATOM 998 N TYR A 89 10.289 -8.019 -10.853 1.00 0.00 N ATOM 999 CA TYR A 89 11.236 -7.099 -11.519 1.00 0.00 C ATOM 1000 C TYR A 89 11.556 -5.920 -10.585 1.00 0.00 C ATOM 1001 O TYR A 89 10.667 -5.416 -9.894 1.00 0.00 O ATOM 1002 CB TYR A 89 10.614 -6.548 -12.838 1.00 0.00 C ATOM 1003 CG TYR A 89 10.128 -7.624 -13.821 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.883 -8.239 -13.649 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.903 -8.029 -14.912 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.438 -9.209 -14.518 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.450 -9.001 -15.785 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.221 -9.588 -15.581 1.00 0.00 C ATOM 1009 OH TYR A 89 8.770 -10.558 -16.446 1.00 0.00 O ATOM 0 H TYR A 89 9.485 -7.541 -10.447 1.00 0.00 H new ATOM 0 HA TYR A 89 12.150 -7.646 -11.752 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.774 -5.902 -12.584 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.355 -5.926 -13.340 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.259 -7.947 -12.818 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.870 -7.576 -15.075 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.474 -9.672 -14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.059 -9.299 -16.626 1.00 0.00 H new ATOM 0 HH TYR A 89 9.440 -10.711 -17.144 1.00 0.00 H new ATOM 1019 N LYS A 90 12.818 -5.473 -10.589 1.00 0.00 N ATOM 1020 CA LYS A 90 13.279 -4.334 -9.776 1.00 0.00 C ATOM 1021 C LYS A 90 13.360 -3.057 -10.631 1.00 0.00 C ATOM 1022 O LYS A 90 13.656 -3.119 -11.831 1.00 0.00 O ATOM 1023 CB LYS A 90 14.677 -4.648 -9.168 1.00 0.00 C ATOM 1024 CG LYS A 90 14.694 -5.754 -8.087 1.00 0.00 C ATOM 1025 CD LYS A 90 14.001 -5.345 -6.758 1.00 0.00 C ATOM 1026 CE LYS A 90 14.885 -4.479 -5.825 1.00 0.00 C ATOM 1027 NZ LYS A 90 15.325 -3.197 -6.434 1.00 0.00 N ATOM 0 H LYS A 90 13.554 -5.891 -11.158 1.00 0.00 H new ATOM 0 HA LYS A 90 12.562 -4.171 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.348 -4.941 -9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.080 -3.733 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.203 -6.643 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.728 -6.028 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.089 -4.795 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.702 -6.247 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.331 -4.265 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.765 -5.054 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.575 -2.523 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.155 -3.366 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.553 -2.803 -7.009 1.00 0.00 H new ATOM 1041 N ALA A 91 13.057 -1.909 -10.000 1.00 0.00 N ATOM 1042 CA ALA A 91 13.353 -0.577 -10.549 1.00 0.00 C ATOM 1043 C ALA A 91 14.624 -0.026 -9.849 1.00 0.00 C ATOM 1044 O ALA A 91 15.739 -0.214 -10.381 1.00 0.00 O ATOM 1045 CB ALA A 91 12.148 0.376 -10.381 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.509 0.546 -8.741 1.00 0.00 O ATOM 0 H ALA A 91 12.597 -1.881 -9.090 1.00 0.00 H new ATOM 0 HA ALA A 91 13.539 -0.653 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.396 1.353 -10.796 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.285 -0.033 -10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.912 0.481 -9.322 1.00 0.00 H new