USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 711 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 3 GLN :FLIP amide:sc= 1.1 F(o=0.64,f=1.2) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= 0.14 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.684 F(o=-1.2,f=-0.68) USER MOD Single : A 8 LYS NZ :NH3+ -138:sc= 0.192 (180deg=0) USER MOD Single : A 9 SER OG : rot 19:sc= -1.04! USER MOD Single : A 12 LYS NZ :NH3+ -118:sc= -1.3 (180deg=-3.35!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -3.97! C(o=-4!,f=-4.5!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.853 (180deg=-2.12!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.04! C(o=-2!,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -0.0311 (180deg=-0.515) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.1!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.756 F(o=-1.3,f=-0.76) USER MOD Single : A 45 ASN : amide:sc= -0.0393 K(o=-0.039,f=-1.1) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.302 F(o=-1.8!,f=-0.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.435 K(o=0.44,f=-1.7!) USER MOD Single : A 55 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.15) USER MOD Single : A 56 SER OG : rot 36:sc= 0.471 USER MOD Single : A 60 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.063) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0569 (180deg=-0.62) USER MOD Single : A 71 SER OG : rot 23:sc= 0.699 USER MOD Single : A 73 ASN : amide:sc= -0.732 K(o=-0.73,f=-1.9) USER MOD Single : A 76 ASN : amide:sc= -7.55! C(o=-7.6!,f=-13!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.052) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -11.210 12.627 -5.617 1.00 0.00 N ATOM 19 CA GLU A 2 -11.630 11.330 -5.097 1.00 0.00 C ATOM 20 C GLU A 2 -10.505 10.309 -5.229 1.00 0.00 C ATOM 21 O GLU A 2 -10.533 9.254 -4.596 1.00 0.00 O ATOM 22 CB GLU A 2 -12.857 10.837 -5.864 1.00 0.00 C ATOM 23 CG GLU A 2 -12.513 10.717 -7.350 1.00 0.00 C ATOM 24 CD GLU A 2 -13.770 10.406 -8.155 1.00 0.00 C ATOM 25 OE1 GLU A 2 -14.081 9.236 -8.305 1.00 0.00 O ATOM 26 OE2 GLU A 2 -14.405 11.343 -8.611 1.00 0.00 O ATOM 0 HA GLU A 2 -11.879 11.445 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.179 9.871 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.688 11.529 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.066 11.646 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.773 9.930 -7.498 1.00 0.00 H new ATOM 33 N GLN A 3 -9.524 10.630 -6.062 1.00 0.00 N ATOM 34 CA GLN A 3 -8.391 9.740 -6.291 1.00 0.00 C ATOM 35 C GLN A 3 -7.891 9.135 -4.985 1.00 0.00 C ATOM 36 O GLN A 3 -8.173 7.976 -4.681 1.00 0.00 O ATOM 37 CB GLN A 3 -7.257 10.520 -6.963 1.00 0.00 C ATOM 38 CG GLN A 3 -6.242 9.545 -7.562 1.00 0.00 C ATOM 39 CD GLN A 3 -4.968 10.291 -7.944 1.00 0.00 C ATOM 40 OE1 GLN A 3 -5.012 11.204 -8.876 1.00 0.00 O flip ATOM 41 NE2 GLN A 3 -3.905 10.035 -7.379 1.00 0.00 N flip ATOM 0 H GLN A 3 -9.489 11.501 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.720 8.927 -6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.660 11.165 -7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.768 11.167 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.012 8.759 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.666 9.059 -8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.873 9.321 -6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.056 10.537 -7.639 1.00 0.00 H new ATOM 50 N PHE A 4 -7.147 9.921 -4.217 1.00 0.00 N ATOM 51 CA PHE A 4 -6.618 9.437 -2.948 1.00 0.00 C ATOM 52 C PHE A 4 -7.704 8.694 -2.177 1.00 0.00 C ATOM 53 O PHE A 4 -7.468 7.611 -1.643 1.00 0.00 O ATOM 54 CB PHE A 4 -6.059 10.607 -2.122 1.00 0.00 C ATOM 55 CG PHE A 4 -7.135 11.199 -1.236 1.00 0.00 C ATOM 56 CD1 PHE A 4 -7.038 11.082 0.156 1.00 0.00 C ATOM 57 CD2 PHE A 4 -8.223 11.868 -1.808 1.00 0.00 C ATOM 58 CE1 PHE A 4 -8.029 11.633 0.976 1.00 0.00 C ATOM 59 CE2 PHE A 4 -9.215 12.419 -0.986 1.00 0.00 C ATOM 60 CZ PHE A 4 -9.118 12.301 0.404 1.00 0.00 C ATOM 0 H PHE A 4 -6.899 10.883 -4.446 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.802 8.742 -3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.226 10.261 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.667 11.375 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.198 10.566 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.298 11.959 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.954 11.543 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.055 12.935 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.884 12.725 1.036 1.00 0.00 H new ATOM 70 N ASN A 5 -8.896 9.273 -2.134 1.00 0.00 N ATOM 71 CA ASN A 5 -10.008 8.641 -1.436 1.00 0.00 C ATOM 72 C ASN A 5 -10.354 7.301 -2.083 1.00 0.00 C ATOM 73 O ASN A 5 -10.887 6.408 -1.427 1.00 0.00 O ATOM 74 CB ASN A 5 -11.236 9.552 -1.468 1.00 0.00 C ATOM 75 CG ASN A 5 -12.265 9.075 -0.450 1.00 0.00 C ATOM 76 OD1 ASN A 5 -12.806 7.895 -0.587 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 -12.584 9.795 0.497 1.00 0.00 N flip ATOM 0 H ASN A 5 -9.117 10.169 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.710 8.470 -0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.943 10.579 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.673 9.552 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.160 10.717 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.272 9.470 1.176 1.00 0.00 H new ATOM 84 N ALA A 6 -10.060 7.174 -3.375 1.00 0.00 N ATOM 85 CA ALA A 6 -10.361 5.941 -4.099 1.00 0.00 C ATOM 86 C ALA A 6 -9.320 4.861 -3.815 1.00 0.00 C ATOM 87 O ALA A 6 -9.644 3.802 -3.275 1.00 0.00 O ATOM 88 CB ALA A 6 -10.407 6.220 -5.602 1.00 0.00 C ATOM 0 H ALA A 6 -9.618 7.901 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.331 5.580 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.632 5.297 -6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.181 6.958 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.441 6.604 -5.931 1.00 0.00 H new ATOM 94 N PHE A 7 -8.070 5.134 -4.175 1.00 0.00 N ATOM 95 CA PHE A 7 -6.999 4.171 -3.945 1.00 0.00 C ATOM 96 C PHE A 7 -6.935 3.809 -2.465 1.00 0.00 C ATOM 97 O PHE A 7 -6.766 2.645 -2.104 1.00 0.00 O ATOM 98 CB PHE A 7 -5.655 4.761 -4.404 1.00 0.00 C ATOM 99 CG PHE A 7 -4.565 4.404 -3.417 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.095 5.367 -2.515 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.031 3.110 -3.400 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.091 5.037 -1.598 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.026 2.779 -2.483 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.556 3.743 -1.582 1.00 0.00 C ATOM 0 H PHE A 7 -7.776 6.003 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.202 3.268 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.400 4.379 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.736 5.844 -4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.508 6.365 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.394 2.367 -4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.729 5.780 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.613 1.781 -2.470 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.781 3.488 -0.875 1.00 0.00 H new ATOM 114 N LYS A 8 -7.071 4.819 -1.618 1.00 0.00 N ATOM 115 CA LYS A 8 -7.028 4.612 -0.179 1.00 0.00 C ATOM 116 C LYS A 8 -8.239 3.821 0.299 1.00 0.00 C ATOM 117 O LYS A 8 -8.107 2.892 1.102 1.00 0.00 O ATOM 118 CB LYS A 8 -6.993 5.960 0.539 1.00 0.00 C ATOM 119 CG LYS A 8 -6.591 5.745 2.001 1.00 0.00 C ATOM 120 CD LYS A 8 -6.882 7.011 2.813 1.00 0.00 C ATOM 121 CE LYS A 8 -6.338 8.239 2.076 1.00 0.00 C ATOM 122 NZ LYS A 8 -6.226 9.379 3.027 1.00 0.00 N ATOM 0 H LYS A 8 -7.212 5.788 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.127 4.044 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.284 6.627 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.971 6.439 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.140 4.901 2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.531 5.498 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.956 7.115 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.423 6.935 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.363 8.015 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.999 8.504 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.557 10.250 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.809 9.189 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.233 9.496 3.314 1.00 0.00 H new ATOM 136 N SER A 9 -9.425 4.194 -0.176 1.00 0.00 N ATOM 137 CA SER A 9 -10.623 3.494 0.258 1.00 0.00 C ATOM 138 C SER A 9 -10.484 2.016 -0.075 1.00 0.00 C ATOM 139 O SER A 9 -11.132 1.161 0.529 1.00 0.00 O ATOM 140 CB SER A 9 -11.869 4.083 -0.405 1.00 0.00 C ATOM 141 OG SER A 9 -11.626 4.240 -1.799 1.00 0.00 O ATOM 0 H SER A 9 -9.578 4.953 -0.840 1.00 0.00 H new ATOM 0 HA SER A 9 -10.737 3.613 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.725 3.428 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.115 5.045 0.044 1.00 0.00 H new ATOM 0 HG SER A 9 -10.866 3.681 -2.064 1.00 0.00 H new ATOM 147 N LEU A 10 -9.607 1.729 -1.034 1.00 0.00 N ATOM 148 CA LEU A 10 -9.351 0.355 -1.442 1.00 0.00 C ATOM 149 C LEU A 10 -8.604 -0.372 -0.329 1.00 0.00 C ATOM 150 O LEU A 10 -8.954 -1.493 0.040 1.00 0.00 O ATOM 151 CB LEU A 10 -8.516 0.337 -2.731 1.00 0.00 C ATOM 152 CG LEU A 10 -8.887 -0.886 -3.581 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.937 -0.988 -4.783 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.776 -2.157 -2.732 1.00 0.00 C ATOM 0 H LEU A 10 -9.064 2.429 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.299 -0.148 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.690 1.251 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.454 0.311 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.911 -0.777 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.203 -1.857 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.021 -0.087 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.912 -1.092 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.040 -3.024 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.753 -2.265 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.456 -2.088 -1.883 1.00 0.00 H new ATOM 166 N LEU A 11 -7.579 0.287 0.213 1.00 0.00 N ATOM 167 CA LEU A 11 -6.802 -0.302 1.297 1.00 0.00 C ATOM 168 C LEU A 11 -7.742 -0.765 2.401 1.00 0.00 C ATOM 169 O LEU A 11 -7.593 -1.867 2.925 1.00 0.00 O ATOM 170 CB LEU A 11 -5.798 0.719 1.857 1.00 0.00 C ATOM 171 CG LEU A 11 -4.493 0.682 1.045 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.866 2.082 1.017 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.509 -0.303 1.689 1.00 0.00 C ATOM 0 H LEU A 11 -7.273 1.216 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.246 -1.156 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.228 1.720 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.590 0.498 2.904 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.713 0.360 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.941 2.055 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.561 2.783 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.650 2.404 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.586 -0.326 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.290 0.015 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.951 -1.299 1.707 1.00 0.00 H new ATOM 185 N LYS A 12 -8.721 0.073 2.741 1.00 0.00 N ATOM 186 CA LYS A 12 -9.687 -0.289 3.779 1.00 0.00 C ATOM 187 C LYS A 12 -10.046 -1.770 3.667 1.00 0.00 C ATOM 188 O LYS A 12 -9.778 -2.554 4.575 1.00 0.00 O ATOM 189 CB LYS A 12 -10.952 0.560 3.645 1.00 0.00 C ATOM 190 CG LYS A 12 -11.904 0.243 4.801 1.00 0.00 C ATOM 191 CD LYS A 12 -13.178 1.083 4.668 1.00 0.00 C ATOM 192 CE LYS A 12 -12.841 2.571 4.818 1.00 0.00 C ATOM 193 NZ LYS A 12 -12.498 3.141 3.483 1.00 0.00 N ATOM 0 H LYS A 12 -8.866 0.992 2.322 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.237 -0.102 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.694 1.619 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.440 0.357 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.155 -0.818 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.417 0.452 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.643 0.903 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.900 0.786 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.689 3.105 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.004 2.698 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.516 3.484 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.600 2.405 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.138 3.932 3.268 1.00 0.00 H new ATOM 207 N LYS A 13 -10.636 -2.146 2.535 1.00 0.00 N ATOM 208 CA LYS A 13 -11.007 -3.538 2.298 1.00 0.00 C ATOM 209 C LYS A 13 -9.884 -4.467 2.758 1.00 0.00 C ATOM 210 O LYS A 13 -10.129 -5.514 3.357 1.00 0.00 O ATOM 211 CB LYS A 13 -11.269 -3.747 0.795 1.00 0.00 C ATOM 212 CG LYS A 13 -12.783 -3.769 0.504 1.00 0.00 C ATOM 213 CD LYS A 13 -13.291 -5.216 0.469 1.00 0.00 C ATOM 214 CE LYS A 13 -13.122 -5.860 1.847 1.00 0.00 C ATOM 215 NZ LYS A 13 -13.724 -7.222 1.835 1.00 0.00 N ATOM 0 H LYS A 13 -10.866 -1.510 1.771 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.910 -3.769 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.795 -2.949 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.817 -4.684 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.317 -3.206 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.985 -3.281 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.340 -5.235 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.740 -5.786 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.065 -5.920 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.601 -5.245 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.610 -7.660 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.736 -7.152 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.247 -7.806 1.119 1.00 0.00 H new ATOM 229 N HIS A 14 -8.653 -4.063 2.470 1.00 0.00 N ATOM 230 CA HIS A 14 -7.477 -4.839 2.847 1.00 0.00 C ATOM 231 C HIS A 14 -7.240 -4.788 4.354 1.00 0.00 C ATOM 232 O HIS A 14 -7.242 -5.817 5.030 1.00 0.00 O ATOM 233 CB HIS A 14 -6.246 -4.276 2.124 1.00 0.00 C ATOM 234 CG HIS A 14 -5.492 -5.401 1.464 1.00 0.00 C ATOM 235 ND1 HIS A 14 -6.111 -6.302 0.612 1.00 0.00 N ATOM 236 CD2 HIS A 14 -4.174 -5.781 1.519 1.00 0.00 C ATOM 237 CE1 HIS A 14 -5.174 -7.171 0.191 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.975 -6.899 0.714 1.00 0.00 N ATOM 0 H HIS A 14 -8.442 -3.197 1.974 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.645 -5.877 2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.553 -3.543 1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.600 -3.758 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.408 -5.288 2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.368 -7.989 -0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.102 -7.402 0.557 1.00 0.00 H new ATOM 247 N TYR A 15 -7.020 -3.583 4.869 1.00 0.00 N ATOM 248 CA TYR A 15 -6.762 -3.391 6.290 1.00 0.00 C ATOM 249 C TYR A 15 -8.069 -3.143 7.039 1.00 0.00 C ATOM 250 O TYR A 15 -8.093 -2.428 8.040 1.00 0.00 O ATOM 251 CB TYR A 15 -5.833 -2.183 6.474 1.00 0.00 C ATOM 252 CG TYR A 15 -4.381 -2.584 6.286 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.029 -3.649 5.443 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.381 -1.876 6.966 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.684 -4.002 5.285 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.036 -2.230 6.805 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.687 -3.293 5.966 1.00 0.00 C ATOM 258 OH TYR A 15 -0.362 -3.643 5.809 1.00 0.00 O ATOM 0 H TYR A 15 -7.015 -2.723 4.321 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.292 -4.289 6.691 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.095 -1.405 5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.972 -1.760 7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.796 -4.197 4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.648 -1.056 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.415 -4.823 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.267 -1.682 7.329 1.00 0.00 H new ATOM 0 HH TYR A 15 0.199 -3.050 6.350 1.00 0.00 H new ATOM 268 N GLU A 16 -9.155 -3.731 6.550 1.00 0.00 N ATOM 269 CA GLU A 16 -10.455 -3.555 7.188 1.00 0.00 C ATOM 270 C GLU A 16 -10.351 -3.769 8.696 1.00 0.00 C ATOM 271 O GLU A 16 -10.849 -2.964 9.482 1.00 0.00 O ATOM 272 CB GLU A 16 -11.475 -4.532 6.592 1.00 0.00 C ATOM 273 CG GLU A 16 -10.823 -5.901 6.384 1.00 0.00 C ATOM 274 CD GLU A 16 -11.847 -6.885 5.826 1.00 0.00 C ATOM 275 OE1 GLU A 16 -12.684 -7.334 6.591 1.00 0.00 O ATOM 276 OE2 GLU A 16 -11.780 -7.173 4.643 1.00 0.00 O ATOM 0 H GLU A 16 -9.163 -4.328 5.723 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.789 -2.534 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.334 -4.625 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.847 -4.148 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.980 -5.812 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.427 -6.272 7.329 1.00 0.00 H new ATOM 283 N LYS A 17 -9.699 -4.858 9.095 1.00 0.00 N ATOM 284 CA LYS A 17 -9.537 -5.163 10.513 1.00 0.00 C ATOM 285 C LYS A 17 -8.217 -4.605 11.031 1.00 0.00 C ATOM 286 O LYS A 17 -7.865 -4.797 12.195 1.00 0.00 O ATOM 287 CB LYS A 17 -9.574 -6.678 10.729 1.00 0.00 C ATOM 288 CG LYS A 17 -10.982 -7.203 10.434 1.00 0.00 C ATOM 289 CD LYS A 17 -11.024 -8.714 10.662 1.00 0.00 C ATOM 290 CE LYS A 17 -12.297 -9.292 10.041 1.00 0.00 C ATOM 291 NZ LYS A 17 -12.355 -8.928 8.596 1.00 0.00 N ATOM 0 H LYS A 17 -9.278 -5.538 8.463 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.356 -4.699 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.849 -7.166 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.293 -6.917 11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.708 -6.707 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.259 -6.972 9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.146 -9.183 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.997 -8.932 11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.310 -10.376 10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.175 -8.907 10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.950 -9.614 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.760 -7.976 8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.395 -8.940 8.196 1.00 0.00 H new ATOM 305 N THR A 18 -7.489 -3.915 10.156 1.00 0.00 N ATOM 306 CA THR A 18 -6.203 -3.328 10.530 1.00 0.00 C ATOM 307 C THR A 18 -6.193 -1.831 10.236 1.00 0.00 C ATOM 308 O THR A 18 -5.241 -1.308 9.659 1.00 0.00 O ATOM 309 CB THR A 18 -5.077 -4.011 9.748 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.319 -5.410 9.699 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.737 -3.749 10.439 1.00 0.00 C ATOM 0 H THR A 18 -7.765 -3.749 9.188 1.00 0.00 H new ATOM 0 HA THR A 18 -6.050 -3.477 11.599 1.00 0.00 H new ATOM 0 HB THR A 18 -5.044 -3.610 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.600 -5.849 9.198 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.938 -4.236 9.880 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.551 -2.676 10.477 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.766 -4.148 11.453 1.00 0.00 H new ATOM 319 N ILE A 19 -7.260 -1.145 10.636 1.00 0.00 N ATOM 320 CA ILE A 19 -7.362 0.293 10.408 1.00 0.00 C ATOM 321 C ILE A 19 -6.732 1.069 11.562 1.00 0.00 C ATOM 322 O ILE A 19 -5.794 1.838 11.355 1.00 0.00 O ATOM 323 CB ILE A 19 -8.831 0.697 10.244 1.00 0.00 C ATOM 324 CG1 ILE A 19 -8.921 2.206 10.001 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.618 0.335 11.510 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.365 2.585 9.667 1.00 0.00 C ATOM 0 H ILE A 19 -8.060 -1.557 11.116 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.821 0.535 9.493 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.256 0.163 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.587 2.748 10.886 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.260 2.493 9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.661 0.625 11.385 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.558 -0.740 11.681 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.194 0.862 12.365 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.429 3.659 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.682 2.054 8.770 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.014 2.312 10.499 1.00 0.00 H new ATOM 338 N GLY A 20 -7.249 0.868 12.773 1.00 0.00 N ATOM 339 CA GLY A 20 -6.724 1.562 13.950 1.00 0.00 C ATOM 340 C GLY A 20 -5.234 1.853 13.796 1.00 0.00 C ATOM 341 O GLY A 20 -4.814 3.009 13.822 1.00 0.00 O ATOM 0 H GLY A 20 -8.025 0.235 12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.267 2.496 14.098 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.889 0.953 14.839 1.00 0.00 H new ATOM 345 N PHE A 21 -4.443 0.796 13.625 1.00 0.00 N ATOM 346 CA PHE A 21 -3.002 0.952 13.453 1.00 0.00 C ATOM 347 C PHE A 21 -2.716 2.166 12.575 1.00 0.00 C ATOM 348 O PHE A 21 -1.865 2.995 12.896 1.00 0.00 O ATOM 349 CB PHE A 21 -2.418 -0.311 12.808 1.00 0.00 C ATOM 350 CG PHE A 21 -1.076 -0.006 12.179 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.978 0.185 10.793 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.069 0.081 12.979 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.265 0.462 10.209 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.311 0.359 12.394 1.00 0.00 C ATOM 355 CZ PHE A 21 1.408 0.549 11.011 1.00 0.00 C ATOM 0 H PHE A 21 -4.772 -0.169 13.602 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.537 1.101 14.428 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.306 -1.093 13.559 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.104 -0.692 12.051 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.861 0.118 10.175 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.005 -0.066 14.046 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.341 0.608 9.142 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.195 0.427 13.011 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.367 0.763 10.562 1.00 0.00 H new ATOM 365 N HIS A 22 -3.445 2.262 11.469 1.00 0.00 N ATOM 366 CA HIS A 22 -3.278 3.378 10.549 1.00 0.00 C ATOM 367 C HIS A 22 -3.637 4.692 11.232 1.00 0.00 C ATOM 368 O HIS A 22 -2.822 5.611 11.297 1.00 0.00 O ATOM 369 CB HIS A 22 -4.170 3.182 9.323 1.00 0.00 C ATOM 370 CG HIS A 22 -3.865 4.250 8.312 1.00 0.00 C ATOM 371 ND1 HIS A 22 -3.885 5.598 8.637 1.00 0.00 N ATOM 372 CD2 HIS A 22 -3.534 4.191 6.981 1.00 0.00 C ATOM 373 CE1 HIS A 22 -3.577 6.288 7.525 1.00 0.00 C ATOM 374 NE2 HIS A 22 -3.352 5.479 6.486 1.00 0.00 N ATOM 0 H HIS A 22 -4.154 1.584 11.190 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.234 3.414 10.238 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.001 2.196 8.890 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.220 3.228 9.612 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.431 3.283 6.405 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.519 7.365 7.477 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -3.101 5.747 5.535 1.00 0.00 H new ATOM 383 N ASP A 23 -4.866 4.779 11.734 1.00 0.00 N ATOM 384 CA ASP A 23 -5.328 5.989 12.403 1.00 0.00 C ATOM 385 C ASP A 23 -4.445 6.329 13.602 1.00 0.00 C ATOM 386 O ASP A 23 -4.504 7.442 14.126 1.00 0.00 O ATOM 387 CB ASP A 23 -6.773 5.797 12.874 1.00 0.00 C ATOM 388 CG ASP A 23 -7.467 7.149 13.010 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.437 7.907 12.055 1.00 0.00 O ATOM 390 OD2 ASP A 23 -8.019 7.406 14.067 1.00 0.00 O ATOM 0 H ASP A 23 -5.556 4.029 11.690 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.274 6.813 11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.315 5.172 12.164 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.785 5.276 13.831 1.00 0.00 H new ATOM 395 N LYS A 24 -3.638 5.369 14.042 1.00 0.00 N ATOM 396 CA LYS A 24 -2.765 5.591 15.191 1.00 0.00 C ATOM 397 C LYS A 24 -1.334 5.892 14.755 1.00 0.00 C ATOM 398 O LYS A 24 -0.776 6.930 15.109 1.00 0.00 O ATOM 399 CB LYS A 24 -2.776 4.358 16.105 1.00 0.00 C ATOM 400 CG LYS A 24 -2.677 4.801 17.571 1.00 0.00 C ATOM 401 CD LYS A 24 -4.039 5.335 18.051 1.00 0.00 C ATOM 402 CE LYS A 24 -3.842 6.647 18.817 1.00 0.00 C ATOM 403 NZ LYS A 24 -2.873 6.432 19.929 1.00 0.00 N ATOM 0 H LYS A 24 -3.570 4.440 13.627 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.144 6.456 15.735 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.690 3.786 15.949 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.942 3.701 15.856 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.366 3.962 18.193 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.916 5.574 17.676 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.698 5.497 17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.523 4.598 18.692 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.474 7.422 18.144 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.796 6.996 19.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.096 7.077 20.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.938 5.448 20.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.908 6.620 19.590 1.00 0.00 H new ATOM 417 N TYR A 25 -0.733 4.978 14.006 1.00 0.00 N ATOM 418 CA TYR A 25 0.643 5.164 13.558 1.00 0.00 C ATOM 419 C TYR A 25 0.722 6.139 12.384 1.00 0.00 C ATOM 420 O TYR A 25 1.182 7.271 12.535 1.00 0.00 O ATOM 421 CB TYR A 25 1.235 3.813 13.144 1.00 0.00 C ATOM 422 CG TYR A 25 1.758 3.090 14.362 1.00 0.00 C ATOM 423 CD1 TYR A 25 0.905 2.277 15.118 1.00 0.00 C ATOM 424 CD2 TYR A 25 3.100 3.233 14.737 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.393 1.607 16.247 1.00 0.00 C ATOM 426 CE2 TYR A 25 3.588 2.564 15.864 1.00 0.00 C ATOM 427 CZ TYR A 25 2.735 1.751 16.620 1.00 0.00 C ATOM 428 OH TYR A 25 3.218 1.090 17.731 1.00 0.00 O ATOM 0 H TYR A 25 -1.169 4.109 13.698 1.00 0.00 H new ATOM 0 HA TYR A 25 1.214 5.584 14.386 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.475 3.209 12.649 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.040 3.963 12.425 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.130 2.166 14.830 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.759 3.861 14.155 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.735 0.980 16.830 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.623 2.675 16.151 1.00 0.00 H new ATOM 0 HH TYR A 25 4.169 1.298 17.848 1.00 0.00 H new ATOM 438 N ILE A 26 0.291 5.685 11.213 1.00 0.00 N ATOM 439 CA ILE A 26 0.338 6.519 10.015 1.00 0.00 C ATOM 440 C ILE A 26 -0.532 7.761 10.171 1.00 0.00 C ATOM 441 O ILE A 26 -0.037 8.887 10.132 1.00 0.00 O ATOM 442 CB ILE A 26 -0.139 5.715 8.804 1.00 0.00 C ATOM 443 CG1 ILE A 26 0.680 4.425 8.690 1.00 0.00 C ATOM 444 CG2 ILE A 26 0.044 6.548 7.535 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.004 3.476 7.699 1.00 0.00 C ATOM 0 H ILE A 26 -0.093 4.751 11.066 1.00 0.00 H new ATOM 0 HA ILE A 26 1.370 6.837 9.867 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.193 5.466 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.693 4.653 8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.764 3.948 9.666 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.296 5.976 6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.539 7.465 7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.098 6.798 7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.587 2.559 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.000 3.238 8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.057 3.954 6.721 1.00 0.00 H new ATOM 457 N LYS A 27 -1.831 7.548 10.334 1.00 0.00 N ATOM 458 CA LYS A 27 -2.773 8.654 10.481 1.00 0.00 C ATOM 459 C LYS A 27 -2.826 9.481 9.202 1.00 0.00 C ATOM 460 O LYS A 27 -2.184 9.148 8.207 1.00 0.00 O ATOM 461 CB LYS A 27 -2.370 9.558 11.652 1.00 0.00 C ATOM 462 CG LYS A 27 -1.951 8.705 12.856 1.00 0.00 C ATOM 463 CD LYS A 27 -2.246 9.465 14.154 1.00 0.00 C ATOM 464 CE LYS A 27 -1.377 10.723 14.218 1.00 0.00 C ATOM 465 NZ LYS A 27 -1.385 11.264 15.607 1.00 0.00 N ATOM 0 H LYS A 27 -2.258 6.622 10.368 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.758 8.231 10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.548 10.208 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.204 10.204 11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.489 7.757 12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.889 8.469 12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.301 9.736 14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.045 8.827 15.015 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.357 10.489 13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.753 11.473 13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.794 12.119 15.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.360 11.502 15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.007 10.549 16.260 1.00 0.00 H new ATOM 479 N ASP A 28 -3.599 10.561 9.239 1.00 0.00 N ATOM 480 CA ASP A 28 -3.734 11.434 8.078 1.00 0.00 C ATOM 481 C ASP A 28 -2.370 11.930 7.613 1.00 0.00 C ATOM 482 O ASP A 28 -1.972 13.055 7.918 1.00 0.00 O ATOM 483 CB ASP A 28 -4.620 12.630 8.428 1.00 0.00 C ATOM 484 CG ASP A 28 -4.136 13.277 9.721 1.00 0.00 C ATOM 485 OD1 ASP A 28 -3.293 14.155 9.641 1.00 0.00 O ATOM 486 OD2 ASP A 28 -4.615 12.883 10.772 1.00 0.00 O ATOM 0 H ASP A 28 -4.138 10.852 10.054 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.192 10.863 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.599 13.358 7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.655 12.306 8.539 1.00 0.00 H new ATOM 491 N ILE A 29 -1.658 11.089 6.871 1.00 0.00 N ATOM 492 CA ILE A 29 -0.341 11.461 6.367 1.00 0.00 C ATOM 493 C ILE A 29 -0.423 12.791 5.620 1.00 0.00 C ATOM 494 O ILE A 29 -1.509 13.237 5.250 1.00 0.00 O ATOM 495 CB ILE A 29 0.192 10.361 5.435 1.00 0.00 C ATOM 496 CG1 ILE A 29 1.730 10.385 5.425 1.00 0.00 C ATOM 497 CG2 ILE A 29 -0.330 10.587 4.014 1.00 0.00 C ATOM 498 CD1 ILE A 29 2.272 9.556 6.595 1.00 0.00 C ATOM 0 H ILE A 29 -1.967 10.153 6.607 1.00 0.00 H new ATOM 0 HA ILE A 29 0.343 11.573 7.208 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.152 9.392 5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.103 9.986 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.087 11.412 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.051 9.805 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.420 10.559 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.006 11.559 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.362 9.577 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.912 9.974 7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.928 8.526 6.501 1.00 0.00 H new ATOM 510 N ASN A 30 0.728 13.420 5.404 1.00 0.00 N ATOM 511 CA ASN A 30 0.769 14.699 4.702 1.00 0.00 C ATOM 512 C ASN A 30 2.037 14.816 3.860 1.00 0.00 C ATOM 513 O ASN A 30 2.330 15.878 3.312 1.00 0.00 O ATOM 514 CB ASN A 30 0.715 15.849 5.710 1.00 0.00 C ATOM 515 CG ASN A 30 -0.702 15.999 6.253 1.00 0.00 C ATOM 516 OD1 ASN A 30 -0.931 15.825 7.449 1.00 0.00 O ATOM 517 ND2 ASN A 30 -1.672 16.315 5.439 1.00 0.00 N ATOM 0 H ASN A 30 1.638 13.069 5.702 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.095 14.753 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.409 15.659 6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.031 16.777 5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.623 16.418 5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.479 16.459 4.448 1.00 0.00 H new ATOM 524 N ARG A 31 2.785 13.720 3.758 1.00 0.00 N ATOM 525 CA ARG A 31 4.016 13.716 2.973 1.00 0.00 C ATOM 526 C ARG A 31 4.121 12.431 2.150 1.00 0.00 C ATOM 527 O ARG A 31 4.692 11.433 2.590 1.00 0.00 O ATOM 528 CB ARG A 31 5.240 13.865 3.889 1.00 0.00 C ATOM 529 CG ARG A 31 4.909 13.356 5.300 1.00 0.00 C ATOM 530 CD ARG A 31 4.021 14.367 6.043 1.00 0.00 C ATOM 531 NE ARG A 31 4.551 14.605 7.383 1.00 0.00 N ATOM 532 CZ ARG A 31 4.223 15.695 8.070 1.00 0.00 C ATOM 533 NH1 ARG A 31 3.423 16.582 7.546 1.00 0.00 N ATOM 534 NH2 ARG A 31 4.705 15.880 9.269 1.00 0.00 N ATOM 0 H ARG A 31 2.563 12.831 4.205 1.00 0.00 H new ATOM 0 HA ARG A 31 3.990 14.565 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.080 13.304 3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.545 14.910 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.400 12.394 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.830 13.192 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.979 15.304 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.001 13.989 6.108 1.00 0.00 H new ATOM 0 HE ARG A 31 5.184 13.922 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.048 16.440 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.172 17.418 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.333 15.188 9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.454 16.716 9.796 1.00 0.00 H new ATOM 548 N PHE A 32 3.557 12.482 0.946 1.00 0.00 N ATOM 549 CA PHE A 32 3.564 11.347 0.027 1.00 0.00 C ATOM 550 C PHE A 32 3.320 11.849 -1.394 1.00 0.00 C ATOM 551 O PHE A 32 2.581 12.813 -1.596 1.00 0.00 O ATOM 552 CB PHE A 32 2.471 10.348 0.417 1.00 0.00 C ATOM 553 CG PHE A 32 1.113 10.946 0.132 1.00 0.00 C ATOM 554 CD1 PHE A 32 0.647 12.022 0.898 1.00 0.00 C ATOM 555 CD2 PHE A 32 0.321 10.428 -0.901 1.00 0.00 C ATOM 556 CE1 PHE A 32 -0.610 12.577 0.633 1.00 0.00 C ATOM 557 CE2 PHE A 32 -0.936 10.983 -1.165 1.00 0.00 C ATOM 558 CZ PHE A 32 -1.401 12.058 -0.399 1.00 0.00 C ATOM 0 H PHE A 32 3.084 13.308 0.581 1.00 0.00 H new ATOM 0 HA PHE A 32 4.531 10.847 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.596 9.421 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.554 10.097 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.258 12.423 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.681 9.600 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.970 13.406 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.547 10.582 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.371 12.487 -0.604 1.00 0.00 H new ATOM 568 N VAL A 33 3.948 11.208 -2.378 1.00 0.00 N ATOM 569 CA VAL A 33 3.781 11.633 -3.767 1.00 0.00 C ATOM 570 C VAL A 33 3.896 10.455 -4.729 1.00 0.00 C ATOM 571 O VAL A 33 4.576 9.468 -4.448 1.00 0.00 O ATOM 572 CB VAL A 33 4.843 12.677 -4.118 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.666 13.907 -3.226 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.234 12.083 -3.893 1.00 0.00 C ATOM 0 H VAL A 33 4.566 10.407 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 33 2.784 12.062 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 33 4.734 12.967 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.423 14.650 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.674 14.331 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.774 13.617 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.992 12.826 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.341 11.793 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.362 11.206 -4.528 1.00 0.00 H new ATOM 584 N PHE A 34 3.225 10.577 -5.872 1.00 0.00 N ATOM 585 CA PHE A 34 3.249 9.531 -6.891 1.00 0.00 C ATOM 586 C PHE A 34 3.403 10.153 -8.273 1.00 0.00 C ATOM 587 O PHE A 34 2.518 10.036 -9.120 1.00 0.00 O ATOM 588 CB PHE A 34 1.954 8.720 -6.841 1.00 0.00 C ATOM 589 CG PHE A 34 0.786 9.616 -7.167 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.110 9.473 -8.385 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.381 10.591 -6.251 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.972 10.309 -8.686 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.701 11.428 -6.550 1.00 0.00 C ATOM 594 CZ PHE A 34 -1.377 11.287 -7.768 1.00 0.00 C ATOM 0 H PHE A 34 2.658 11.389 -6.116 1.00 0.00 H new ATOM 0 HA PHE A 34 4.095 8.872 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.002 7.894 -7.551 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.825 8.282 -5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.423 8.719 -9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.903 10.699 -5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.494 10.200 -9.625 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.014 12.181 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.211 11.933 -8.000 1.00 0.00 H new ATOM 604 N LYS A 35 4.532 10.820 -8.495 1.00 0.00 N ATOM 605 CA LYS A 35 4.792 11.467 -9.780 1.00 0.00 C ATOM 606 C LYS A 35 6.048 10.893 -10.427 1.00 0.00 C ATOM 607 O LYS A 35 6.663 11.529 -11.284 1.00 0.00 O ATOM 608 CB LYS A 35 4.956 12.976 -9.583 1.00 0.00 C ATOM 609 CG LYS A 35 5.844 13.242 -8.365 1.00 0.00 C ATOM 610 CD LYS A 35 6.242 14.720 -8.333 1.00 0.00 C ATOM 611 CE LYS A 35 4.985 15.592 -8.384 1.00 0.00 C ATOM 612 NZ LYS A 35 5.311 16.962 -7.892 1.00 0.00 N ATOM 0 H LYS A 35 5.278 10.927 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 35 3.943 11.279 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.399 13.423 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.981 13.443 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.313 12.978 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.735 12.616 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.809 14.935 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.891 14.951 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.605 15.641 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.198 15.151 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.458 17.555 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.655 16.906 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.048 17.381 -8.494 1.00 0.00 H new ATOM 626 N ASN A 36 6.416 9.685 -10.017 1.00 0.00 N ATOM 627 CA ASN A 36 7.593 9.019 -10.564 1.00 0.00 C ATOM 628 C ASN A 36 7.222 7.620 -11.038 1.00 0.00 C ATOM 629 O ASN A 36 8.049 6.707 -11.024 1.00 0.00 O ATOM 630 CB ASN A 36 8.687 8.924 -9.496 1.00 0.00 C ATOM 631 CG ASN A 36 9.299 10.299 -9.251 1.00 0.00 C ATOM 632 OD1 ASN A 36 8.962 11.262 -9.939 1.00 0.00 O ATOM 633 ND2 ASN A 36 10.185 10.449 -8.303 1.00 0.00 N ATOM 0 H ASN A 36 5.917 9.147 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 36 7.966 9.600 -11.408 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.268 8.533 -8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.460 8.225 -9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.599 11.366 -8.132 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.463 9.650 -7.734 1.00 0.00 H new ATOM 640 N ASN A 37 5.968 7.460 -11.447 1.00 0.00 N ATOM 641 CA ASN A 37 5.480 6.169 -11.915 1.00 0.00 C ATOM 642 C ASN A 37 5.263 5.234 -10.732 1.00 0.00 C ATOM 643 O ASN A 37 4.569 4.223 -10.840 1.00 0.00 O ATOM 644 CB ASN A 37 6.482 5.551 -12.896 1.00 0.00 C ATOM 645 CG ASN A 37 5.761 4.628 -13.874 1.00 0.00 C ATOM 646 OD1 ASN A 37 6.168 4.558 -15.112 1.00 0.00 O flip ATOM 647 ND2 ASN A 37 4.801 3.954 -13.500 1.00 0.00 N flip ATOM 0 H ASN A 37 5.273 8.206 -11.464 1.00 0.00 H new ATOM 0 HA ASN A 37 4.530 6.316 -12.429 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.000 6.339 -13.443 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.240 4.992 -12.348 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.485 4.010 -12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.322 3.339 -14.158 1.00 0.00 H new ATOM 654 N VAL A 38 5.878 5.583 -9.610 1.00 0.00 N ATOM 655 CA VAL A 38 5.776 4.777 -8.397 1.00 0.00 C ATOM 656 C VAL A 38 5.128 5.583 -7.277 1.00 0.00 C ATOM 657 O VAL A 38 4.796 6.755 -7.457 1.00 0.00 O ATOM 658 CB VAL A 38 7.173 4.318 -7.964 1.00 0.00 C ATOM 659 CG1 VAL A 38 7.062 3.270 -6.849 1.00 0.00 C ATOM 660 CG2 VAL A 38 7.897 3.707 -9.167 1.00 0.00 C ATOM 0 H VAL A 38 6.454 6.419 -9.513 1.00 0.00 H new ATOM 0 HA VAL A 38 5.156 3.905 -8.605 1.00 0.00 H new ATOM 0 HB VAL A 38 7.733 5.175 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.060 2.951 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.547 3.704 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.500 2.410 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.891 3.379 -8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.330 2.853 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.986 4.454 -9.956 1.00 0.00 H new ATOM 670 N LEU A 39 4.943 4.945 -6.124 1.00 0.00 N ATOM 671 CA LEU A 39 4.321 5.609 -4.983 1.00 0.00 C ATOM 672 C LEU A 39 5.238 5.567 -3.764 1.00 0.00 C ATOM 673 O LEU A 39 5.627 4.489 -3.300 1.00 0.00 O ATOM 674 CB LEU A 39 2.990 4.936 -4.644 1.00 0.00 C ATOM 675 CG LEU A 39 1.985 5.193 -5.775 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.138 4.128 -6.856 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.557 5.147 -5.225 1.00 0.00 C ATOM 0 H LEU A 39 5.213 3.976 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 39 4.144 6.650 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.136 3.864 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.602 5.326 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 39 2.180 6.177 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.422 4.316 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.150 4.162 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.952 3.144 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.150 5.330 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.366 4.166 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.438 5.912 -4.458 1.00 0.00 H new ATOM 689 N LEU A 40 5.584 6.747 -3.250 1.00 0.00 N ATOM 690 CA LEU A 40 6.463 6.845 -2.089 1.00 0.00 C ATOM 691 C LEU A 40 5.724 7.527 -0.942 1.00 0.00 C ATOM 692 O LEU A 40 4.919 8.433 -1.162 1.00 0.00 O ATOM 693 CB LEU A 40 7.714 7.646 -2.479 1.00 0.00 C ATOM 694 CG LEU A 40 8.732 7.682 -1.322 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.157 7.763 -1.894 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.480 8.911 -0.433 1.00 0.00 C ATOM 0 H LEU A 40 5.269 7.644 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 40 6.763 5.850 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.175 7.200 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.429 8.663 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 40 8.620 6.776 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.877 7.788 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.348 6.890 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.257 8.668 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.205 8.926 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.584 9.818 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.472 8.861 -0.020 1.00 0.00 H new ATOM 708 N ILE A 41 5.996 7.081 0.282 1.00 0.00 N ATOM 709 CA ILE A 41 5.341 7.654 1.457 1.00 0.00 C ATOM 710 C ILE A 41 6.351 7.888 2.577 1.00 0.00 C ATOM 711 O ILE A 41 7.136 7.007 2.918 1.00 0.00 O ATOM 712 CB ILE A 41 4.229 6.712 1.941 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.961 6.950 1.113 1.00 0.00 C ATOM 714 CG2 ILE A 41 3.926 6.972 3.421 1.00 0.00 C ATOM 715 CD1 ILE A 41 2.034 5.741 1.231 1.00 0.00 C ATOM 0 H ILE A 41 6.658 6.333 0.486 1.00 0.00 H new ATOM 0 HA ILE A 41 4.906 8.614 1.180 1.00 0.00 H new ATOM 0 HB ILE A 41 4.560 5.680 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.450 7.847 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.223 7.119 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.136 6.299 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.825 6.798 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.601 8.004 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.134 5.914 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.546 4.853 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.760 5.593 2.276 1.00 0.00 H new ATOM 727 N LEU A 42 6.320 9.086 3.142 1.00 0.00 N ATOM 728 CA LEU A 42 7.233 9.438 4.220 1.00 0.00 C ATOM 729 C LEU A 42 6.760 8.844 5.546 1.00 0.00 C ATOM 730 O LEU A 42 5.996 9.469 6.284 1.00 0.00 O ATOM 731 CB LEU A 42 7.317 10.961 4.325 1.00 0.00 C ATOM 732 CG LEU A 42 8.576 11.373 5.102 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.850 12.871 4.895 1.00 0.00 C ATOM 734 CD2 LEU A 42 8.377 11.094 6.599 1.00 0.00 C ATOM 0 H LEU A 42 5.675 9.829 2.873 1.00 0.00 H new ATOM 0 HA LEU A 42 8.219 9.029 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.337 11.401 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.429 11.347 4.826 1.00 0.00 H new ATOM 0 HG LEU A 42 9.424 10.796 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.744 13.157 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.001 13.070 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.999 13.450 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.273 11.388 7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.524 11.665 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.193 10.030 6.749 1.00 0.00 H new ATOM 746 N LEU A 43 7.224 7.633 5.839 1.00 0.00 N ATOM 747 CA LEU A 43 6.859 6.943 7.076 1.00 0.00 C ATOM 748 C LEU A 43 7.976 7.090 8.109 1.00 0.00 C ATOM 749 O LEU A 43 9.114 6.691 7.863 1.00 0.00 O ATOM 750 CB LEU A 43 6.618 5.462 6.771 1.00 0.00 C ATOM 751 CG LEU A 43 6.141 4.721 8.025 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.695 5.110 8.349 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.216 3.214 7.767 1.00 0.00 C ATOM 0 H LEU A 43 7.856 7.106 5.236 1.00 0.00 H new ATOM 0 HA LEU A 43 5.950 7.384 7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.874 5.365 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.537 5.007 6.402 1.00 0.00 H new ATOM 0 HG LEU A 43 6.776 4.990 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.366 4.578 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.638 6.184 8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.050 4.845 7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.879 2.676 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.577 2.957 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.245 2.934 7.542 1.00 0.00 H new ATOM 765 N GLU A 44 7.650 7.682 9.256 1.00 0.00 N ATOM 766 CA GLU A 44 8.642 7.892 10.311 1.00 0.00 C ATOM 767 C GLU A 44 8.679 6.723 11.298 1.00 0.00 C ATOM 768 O GLU A 44 9.643 5.957 11.331 1.00 0.00 O ATOM 769 CB GLU A 44 8.325 9.182 11.067 1.00 0.00 C ATOM 770 CG GLU A 44 8.341 10.362 10.094 1.00 0.00 C ATOM 771 CD GLU A 44 8.350 11.676 10.867 1.00 0.00 C ATOM 772 OE1 GLU A 44 7.590 12.559 10.506 1.00 0.00 O ATOM 773 OE2 GLU A 44 9.118 11.781 11.810 1.00 0.00 O ATOM 0 H GLU A 44 6.715 8.023 9.479 1.00 0.00 H new ATOM 0 HA GLU A 44 9.620 7.964 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.349 9.105 11.545 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.057 9.341 11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.220 10.302 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.467 10.319 9.444 1.00 0.00 H new ATOM 780 N ASN A 45 7.632 6.612 12.116 1.00 0.00 N ATOM 781 CA ASN A 45 7.542 5.557 13.132 1.00 0.00 C ATOM 782 C ASN A 45 8.290 4.292 12.710 1.00 0.00 C ATOM 783 O ASN A 45 7.819 3.535 11.865 1.00 0.00 O ATOM 784 CB ASN A 45 6.076 5.213 13.394 1.00 0.00 C ATOM 785 CG ASN A 45 5.394 6.360 14.134 1.00 0.00 C ATOM 786 OD1 ASN A 45 6.003 6.994 14.995 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.157 6.665 13.847 1.00 0.00 N ATOM 0 H ASN A 45 6.830 7.242 12.096 1.00 0.00 H new ATOM 0 HA ASN A 45 8.008 5.937 14.041 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.564 5.023 12.450 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.008 4.298 13.983 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.694 7.430 14.337 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.654 6.138 13.133 1.00 0.00 H new ATOM 794 N GLU A 46 9.456 4.078 13.319 1.00 0.00 N ATOM 795 CA GLU A 46 10.287 2.909 13.023 1.00 0.00 C ATOM 796 C GLU A 46 9.469 1.620 13.039 1.00 0.00 C ATOM 797 O GLU A 46 9.663 0.747 12.192 1.00 0.00 O ATOM 798 CB GLU A 46 11.416 2.805 14.053 1.00 0.00 C ATOM 799 CG GLU A 46 12.190 1.502 13.840 1.00 0.00 C ATOM 800 CD GLU A 46 13.516 1.554 14.590 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.522 1.823 13.955 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.507 1.323 15.788 1.00 0.00 O ATOM 0 H GLU A 46 9.849 4.702 14.024 1.00 0.00 H new ATOM 0 HA GLU A 46 10.701 3.038 12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.088 3.658 13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.005 2.834 15.062 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.598 0.656 14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.370 1.346 12.776 1.00 0.00 H new ATOM 809 N PHE A 47 8.560 1.497 13.997 1.00 0.00 N ATOM 810 CA PHE A 47 7.737 0.299 14.088 1.00 0.00 C ATOM 811 C PHE A 47 6.924 0.133 12.811 1.00 0.00 C ATOM 812 O PHE A 47 7.133 -0.805 12.043 1.00 0.00 O ATOM 813 CB PHE A 47 6.796 0.395 15.293 1.00 0.00 C ATOM 814 CG PHE A 47 7.522 -0.055 16.540 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.048 -1.152 17.270 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.669 0.626 16.965 1.00 0.00 C ATOM 817 CE1 PHE A 47 7.723 -1.569 18.423 1.00 0.00 C ATOM 818 CE2 PHE A 47 9.343 0.209 18.119 1.00 0.00 C ATOM 819 CZ PHE A 47 8.870 -0.888 18.848 1.00 0.00 C ATOM 0 H PHE A 47 8.375 2.201 14.712 1.00 0.00 H new ATOM 0 HA PHE A 47 8.387 -0.567 14.216 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.446 1.420 15.413 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.915 -0.225 15.129 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.162 -1.676 16.943 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.034 1.473 16.403 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.359 -2.416 18.985 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.228 0.734 18.447 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.390 -1.209 19.738 1.00 0.00 H new ATOM 829 N ALA A 48 5.995 1.052 12.597 1.00 0.00 N ATOM 830 CA ALA A 48 5.142 1.013 11.416 1.00 0.00 C ATOM 831 C ALA A 48 5.924 0.592 10.174 1.00 0.00 C ATOM 832 O ALA A 48 5.379 -0.072 9.295 1.00 0.00 O ATOM 833 CB ALA A 48 4.513 2.386 11.183 1.00 0.00 C ATOM 0 H ALA A 48 5.811 1.835 13.225 1.00 0.00 H new ATOM 0 HA ALA A 48 4.361 0.273 11.593 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.877 2.349 10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.914 2.663 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.299 3.126 11.034 1.00 0.00 H new ATOM 839 N ARG A 49 7.200 0.957 10.102 1.00 0.00 N ATOM 840 CA ARG A 49 8.012 0.576 8.948 1.00 0.00 C ATOM 841 C ARG A 49 8.535 -0.844 9.131 1.00 0.00 C ATOM 842 O ARG A 49 8.701 -1.591 8.167 1.00 0.00 O ATOM 843 CB ARG A 49 9.193 1.546 8.757 1.00 0.00 C ATOM 844 CG ARG A 49 9.031 2.763 9.664 1.00 0.00 C ATOM 845 CD ARG A 49 10.021 3.868 9.252 1.00 0.00 C ATOM 846 NE ARG A 49 10.816 3.451 8.094 1.00 0.00 N ATOM 847 CZ ARG A 49 12.149 3.509 8.097 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.792 3.949 9.146 1.00 0.00 N ATOM 849 NH2 ARG A 49 12.816 3.127 7.043 1.00 0.00 N ATOM 0 H ARG A 49 7.687 1.504 10.811 1.00 0.00 H new ATOM 0 HA ARG A 49 7.384 0.623 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.130 1.038 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.246 1.864 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.009 3.138 9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.204 2.478 10.702 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.475 4.781 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.682 4.100 10.087 1.00 0.00 H new ATOM 0 HE ARG A 49 10.337 3.107 7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.275 4.252 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.811 3.990 9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.318 2.786 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.835 3.170 7.041 1.00 0.00 H new ATOM 863 N ASN A 50 8.793 -1.202 10.382 1.00 0.00 N ATOM 864 CA ASN A 50 9.304 -2.525 10.713 1.00 0.00 C ATOM 865 C ASN A 50 8.433 -3.628 10.113 1.00 0.00 C ATOM 866 O ASN A 50 8.939 -4.590 9.536 1.00 0.00 O ATOM 867 CB ASN A 50 9.327 -2.687 12.234 1.00 0.00 C ATOM 868 CG ASN A 50 10.112 -3.937 12.614 1.00 0.00 C ATOM 869 OD1 ASN A 50 10.613 -4.691 11.674 1.00 0.00 O flip ATOM 870 ND2 ASN A 50 10.275 -4.234 13.797 1.00 0.00 N flip ATOM 0 H ASN A 50 8.656 -0.591 11.187 1.00 0.00 H new ATOM 0 HA ASN A 50 10.308 -2.614 10.298 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.780 -1.809 12.695 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.308 -2.757 12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.882 -3.643 14.530 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.803 -5.071 14.045 1.00 0.00 H new ATOM 877 N SER A 51 7.121 -3.488 10.291 1.00 0.00 N ATOM 878 CA SER A 51 6.163 -4.482 9.808 1.00 0.00 C ATOM 879 C SER A 51 5.680 -4.193 8.385 1.00 0.00 C ATOM 880 O SER A 51 5.585 -5.103 7.561 1.00 0.00 O ATOM 881 CB SER A 51 4.958 -4.518 10.752 1.00 0.00 C ATOM 882 OG SER A 51 4.699 -5.863 11.132 1.00 0.00 O ATOM 0 H SER A 51 6.695 -2.693 10.768 1.00 0.00 H new ATOM 0 HA SER A 51 6.673 -5.445 9.789 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.155 -3.910 11.635 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.083 -4.092 10.260 1.00 0.00 H new ATOM 0 HG SER A 51 3.929 -5.889 11.738 1.00 0.00 H new ATOM 888 N LEU A 52 5.351 -2.939 8.103 1.00 0.00 N ATOM 889 CA LEU A 52 4.852 -2.583 6.777 1.00 0.00 C ATOM 890 C LEU A 52 5.731 -3.175 5.677 1.00 0.00 C ATOM 891 O LEU A 52 5.236 -3.885 4.802 1.00 0.00 O ATOM 892 CB LEU A 52 4.772 -1.057 6.620 1.00 0.00 C ATOM 893 CG LEU A 52 3.482 -0.533 7.272 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.486 0.998 7.256 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.255 -1.048 6.500 1.00 0.00 C ATOM 0 H LEU A 52 5.418 -2.162 8.760 1.00 0.00 H new ATOM 0 HA LEU A 52 3.851 -3.002 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.641 -0.589 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.791 -0.789 5.564 1.00 0.00 H new ATOM 0 HG LEU A 52 3.434 -0.889 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.571 1.369 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.349 1.365 7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.541 1.351 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.346 -0.672 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.302 -0.700 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.247 -2.138 6.515 1.00 0.00 H new ATOM 907 N ASN A 53 7.028 -2.885 5.710 1.00 0.00 N ATOM 908 CA ASN A 53 7.925 -3.408 4.682 1.00 0.00 C ATOM 909 C ASN A 53 8.149 -4.909 4.868 1.00 0.00 C ATOM 910 O ASN A 53 8.719 -5.569 4.000 1.00 0.00 O ATOM 911 CB ASN A 53 9.265 -2.661 4.706 1.00 0.00 C ATOM 912 CG ASN A 53 10.227 -3.317 5.694 1.00 0.00 C ATOM 913 OD1 ASN A 53 11.183 -3.978 5.285 1.00 0.00 O ATOM 914 ND2 ASN A 53 10.031 -3.174 6.976 1.00 0.00 N ATOM 0 H ASN A 53 7.475 -2.304 6.419 1.00 0.00 H new ATOM 0 HA ASN A 53 7.456 -3.250 3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.705 -2.659 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.102 -1.620 4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.670 -3.610 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.239 -2.626 7.313 1.00 0.00 H new ATOM 921 N ASP A 54 7.690 -5.444 5.994 1.00 0.00 N ATOM 922 CA ASP A 54 7.844 -6.870 6.262 1.00 0.00 C ATOM 923 C ASP A 54 6.845 -7.675 5.439 1.00 0.00 C ATOM 924 O ASP A 54 7.123 -8.806 5.038 1.00 0.00 O ATOM 925 CB ASP A 54 7.630 -7.155 7.750 1.00 0.00 C ATOM 926 CG ASP A 54 8.178 -8.536 8.099 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.277 -8.841 7.667 1.00 0.00 O ATOM 928 OD2 ASP A 54 7.490 -9.265 8.793 1.00 0.00 O ATOM 0 H ASP A 54 7.214 -4.920 6.728 1.00 0.00 H new ATOM 0 HA ASP A 54 8.855 -7.165 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.129 -6.394 8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.568 -7.105 7.990 1.00 0.00 H new ATOM 933 N ASN A 55 5.680 -7.085 5.189 1.00 0.00 N ATOM 934 CA ASN A 55 4.643 -7.755 4.412 1.00 0.00 C ATOM 935 C ASN A 55 3.570 -6.761 3.976 1.00 0.00 C ATOM 936 O ASN A 55 2.432 -6.819 4.441 1.00 0.00 O ATOM 937 CB ASN A 55 4.003 -8.865 5.247 1.00 0.00 C ATOM 938 CG ASN A 55 3.003 -9.645 4.400 1.00 0.00 C ATOM 939 OD1 ASN A 55 1.855 -9.825 4.803 1.00 0.00 O ATOM 940 ND2 ASN A 55 3.375 -10.120 3.243 1.00 0.00 N ATOM 0 H ASN A 55 5.431 -6.150 5.511 1.00 0.00 H new ATOM 0 HA ASN A 55 5.103 -8.186 3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.773 -9.537 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.501 -8.436 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.713 -10.643 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.328 -9.969 2.912 1.00 0.00 H new ATOM 947 N SER A 56 3.939 -5.851 3.079 1.00 0.00 N ATOM 948 CA SER A 56 2.998 -4.848 2.585 1.00 0.00 C ATOM 949 C SER A 56 2.288 -5.352 1.331 1.00 0.00 C ATOM 950 O SER A 56 1.245 -5.997 1.417 1.00 0.00 O ATOM 951 CB SER A 56 3.741 -3.547 2.271 1.00 0.00 C ATOM 952 OG SER A 56 3.739 -2.717 3.425 1.00 0.00 O ATOM 0 H SER A 56 4.876 -5.786 2.681 1.00 0.00 H new ATOM 0 HA SER A 56 2.252 -4.661 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.765 -3.764 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.262 -3.033 1.438 1.00 0.00 H new ATOM 0 HG SER A 56 3.826 -3.273 4.228 1.00 0.00 H new ATOM 958 N GLU A 57 2.862 -5.039 0.170 1.00 0.00 N ATOM 959 CA GLU A 57 2.285 -5.449 -1.108 1.00 0.00 C ATOM 960 C GLU A 57 1.024 -4.650 -1.409 1.00 0.00 C ATOM 961 O GLU A 57 -0.022 -5.217 -1.718 1.00 0.00 O ATOM 962 CB GLU A 57 1.959 -6.946 -1.102 1.00 0.00 C ATOM 963 CG GLU A 57 3.182 -7.736 -0.628 1.00 0.00 C ATOM 964 CD GLU A 57 2.867 -9.228 -0.621 1.00 0.00 C ATOM 965 OE1 GLU A 57 2.006 -9.628 0.145 1.00 0.00 O ATOM 966 OE2 GLU A 57 3.491 -9.949 -1.381 1.00 0.00 O ATOM 0 H GLU A 57 3.726 -4.503 0.089 1.00 0.00 H new ATOM 0 HA GLU A 57 3.023 -5.253 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.111 -7.141 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.670 -7.270 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.030 -7.538 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.470 -7.412 0.372 1.00 0.00 H new ATOM 973 N ILE A 58 1.130 -3.327 -1.321 1.00 0.00 N ATOM 974 CA ILE A 58 -0.011 -2.461 -1.592 1.00 0.00 C ATOM 975 C ILE A 58 -0.318 -2.447 -3.089 1.00 0.00 C ATOM 976 O ILE A 58 -1.276 -1.814 -3.530 1.00 0.00 O ATOM 977 CB ILE A 58 0.273 -1.044 -1.084 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.338 -1.076 0.449 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.843 -0.097 -1.540 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.568 0.335 0.996 1.00 0.00 C ATOM 0 H ILE A 58 1.987 -2.836 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.884 -2.848 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 58 1.221 -0.687 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.589 -1.484 0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.143 -1.736 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.637 0.910 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.890 -0.087 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.797 -0.439 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.612 0.300 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.507 0.727 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.252 0.983 0.687 1.00 0.00 H new ATOM 992 N ILE A 59 0.484 -3.177 -3.860 1.00 0.00 N ATOM 993 CA ILE A 59 0.267 -3.267 -5.301 1.00 0.00 C ATOM 994 C ILE A 59 -0.776 -4.345 -5.577 1.00 0.00 C ATOM 995 O ILE A 59 -1.192 -4.562 -6.714 1.00 0.00 O ATOM 996 CB ILE A 59 1.581 -3.612 -6.011 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.300 -3.991 -7.470 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.252 -4.789 -5.299 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.588 -3.865 -8.286 1.00 0.00 C ATOM 0 H ILE A 59 1.282 -3.710 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.088 -2.308 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 59 2.241 -2.745 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.920 -5.011 -7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.529 -3.341 -7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.186 -5.035 -5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.459 -4.518 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.589 -5.654 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.389 -4.134 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.948 -2.837 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.345 -4.534 -7.876 1.00 0.00 H new ATOM 1011 N HIS A 60 -1.191 -5.005 -4.502 1.00 0.00 N ATOM 1012 CA HIS A 60 -2.194 -6.063 -4.564 1.00 0.00 C ATOM 1013 C HIS A 60 -3.594 -5.482 -4.743 1.00 0.00 C ATOM 1014 O HIS A 60 -4.546 -6.217 -5.005 1.00 0.00 O ATOM 1015 CB HIS A 60 -2.140 -6.874 -3.262 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.048 -7.906 -3.351 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -0.917 -8.924 -2.419 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.028 -8.092 -4.254 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.145 -9.670 -2.780 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.721 -9.206 -3.891 1.00 0.00 N ATOM 0 H HIS A 60 -0.841 -4.822 -3.561 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.978 -6.702 -5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.958 -6.211 -2.416 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.099 -7.360 -3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.163 -7.468 -5.114 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.489 -10.538 -2.237 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.536 -9.587 -4.371 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.724 -4.168 -4.595 1.00 0.00 N ATOM 1030 CA LEU A 61 -5.027 -3.519 -4.741 1.00 0.00 C ATOM 1031 C LEU A 61 -4.891 -2.209 -5.512 1.00 0.00 C ATOM 1032 O LEU A 61 -5.780 -1.831 -6.275 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.636 -3.243 -3.356 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.689 -3.726 -2.254 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.390 -2.909 -2.279 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.379 -3.550 -0.901 1.00 0.00 C ATOM 0 H LEU A 61 -2.954 -3.535 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.684 -4.187 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.825 -2.176 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.597 -3.749 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.445 -4.776 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.724 -3.261 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.903 -3.029 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.619 -1.856 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.715 -3.891 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.617 -2.497 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.298 -4.136 -0.882 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.781 -1.519 -5.293 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.539 -0.246 -5.958 1.00 0.00 C ATOM 1050 C ALA A 62 -3.496 -0.411 -7.475 1.00 0.00 C ATOM 1051 O ALA A 62 -3.739 0.542 -8.215 1.00 0.00 O ATOM 1052 CB ALA A 62 -2.209 0.338 -5.476 1.00 0.00 C ATOM 0 H ALA A 62 -3.036 -1.817 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.359 0.428 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.028 1.291 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.249 0.494 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.401 -0.354 -5.712 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.160 -1.612 -7.936 1.00 0.00 N ATOM 1059 CA GLU A 63 -3.062 -1.862 -9.371 1.00 0.00 C ATOM 1060 C GLU A 63 -4.436 -1.810 -10.033 1.00 0.00 C ATOM 1061 O GLU A 63 -4.707 -2.557 -10.973 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.430 -3.229 -9.616 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.225 -4.288 -8.851 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.681 -5.680 -9.161 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -1.652 -6.029 -8.606 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -3.302 -6.375 -9.949 1.00 0.00 O ATOM 0 H GLU A 63 -2.953 -2.418 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.438 -1.083 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.427 -3.457 -10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.391 -3.228 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.164 -4.096 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.278 -4.232 -9.126 1.00 0.00 H new ATOM 1073 N SER A 64 -5.301 -0.930 -9.535 1.00 0.00 N ATOM 1074 CA SER A 64 -6.648 -0.798 -10.087 1.00 0.00 C ATOM 1075 C SER A 64 -6.973 0.662 -10.393 1.00 0.00 C ATOM 1076 O SER A 64 -7.720 0.955 -11.326 1.00 0.00 O ATOM 1077 CB SER A 64 -7.671 -1.351 -9.094 1.00 0.00 C ATOM 1078 OG SER A 64 -7.588 -2.771 -9.077 1.00 0.00 O ATOM 0 H SER A 64 -5.097 -0.303 -8.757 1.00 0.00 H new ATOM 0 HA SER A 64 -6.693 -1.365 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.481 -0.952 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.676 -1.037 -9.376 1.00 0.00 H new ATOM 0 HG SER A 64 -8.241 -3.129 -8.440 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.412 1.577 -9.604 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.661 3.001 -9.812 1.00 0.00 C ATOM 1086 C LEU A 65 -5.676 3.575 -10.828 1.00 0.00 C ATOM 1087 O LEU A 65 -5.968 4.571 -11.491 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.549 3.757 -8.481 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.341 5.072 -8.558 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.825 4.806 -8.285 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -6.808 6.053 -7.510 1.00 0.00 C ATOM 0 H LEU A 65 -5.790 1.361 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.671 3.122 -10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.931 3.139 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.503 3.965 -8.258 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.226 5.497 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.379 5.743 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.213 4.110 -9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.941 4.376 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.370 6.985 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.920 5.620 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.754 6.253 -7.702 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.511 2.939 -10.950 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.490 3.392 -11.896 1.00 0.00 C ATOM 1105 C TYR A 66 -3.227 2.309 -12.936 1.00 0.00 C ATOM 1106 O TYR A 66 -3.926 1.298 -12.983 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.178 3.700 -11.167 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.417 4.680 -10.044 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.000 6.010 -10.173 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.044 4.255 -8.867 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.211 6.916 -9.126 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.256 5.161 -7.821 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.839 6.491 -7.950 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.047 7.382 -6.918 1.00 0.00 O ATOM 0 H TYR A 66 -4.251 2.114 -10.410 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.856 4.297 -12.382 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.751 2.779 -10.770 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.453 4.111 -11.869 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.515 6.338 -11.081 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.364 3.229 -8.766 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.889 7.942 -9.226 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.742 4.833 -6.914 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.496 6.925 -6.176 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.215 2.527 -13.772 1.00 0.00 N ATOM 1125 CA GLU A 67 -1.874 1.559 -14.808 1.00 0.00 C ATOM 1126 C GLU A 67 -0.868 0.540 -14.286 1.00 0.00 C ATOM 1127 O GLU A 67 0.339 0.780 -14.297 1.00 0.00 O ATOM 1128 CB GLU A 67 -1.287 2.271 -16.023 1.00 0.00 C ATOM 1129 CG GLU A 67 -2.229 3.391 -16.466 1.00 0.00 C ATOM 1130 CD GLU A 67 -1.679 4.072 -17.715 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -2.225 5.092 -18.099 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -0.717 3.563 -18.267 1.00 0.00 O ATOM 0 H GLU A 67 -1.623 3.357 -13.753 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.787 1.039 -15.097 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.307 2.682 -15.778 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.141 1.561 -16.837 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.220 2.985 -16.670 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.342 4.121 -15.664 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.379 -0.597 -13.836 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.527 -1.658 -13.316 1.00 0.00 C ATOM 1141 C GLY A 68 0.604 -1.092 -12.465 1.00 0.00 C ATOM 1142 O GLY A 68 1.761 -1.077 -12.886 1.00 0.00 O ATOM 0 H GLY A 68 -2.377 -0.809 -13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.124 -2.347 -12.719 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.110 -2.232 -14.144 1.00 0.00 H new ATOM 1146 N ILE A 69 0.264 -0.632 -11.263 1.00 0.00 N ATOM 1147 CA ILE A 69 1.262 -0.073 -10.354 1.00 0.00 C ATOM 1148 C ILE A 69 2.558 -0.875 -10.437 1.00 0.00 C ATOM 1149 O ILE A 69 2.529 -2.099 -10.556 1.00 0.00 O ATOM 1150 CB ILE A 69 0.736 -0.116 -8.916 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.488 0.805 -8.782 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.839 0.332 -7.951 1.00 0.00 C ATOM 1153 CD1 ILE A 69 -0.047 2.225 -8.416 1.00 0.00 C ATOM 0 H ILE A 69 -0.688 -0.635 -10.898 1.00 0.00 H new ATOM 0 HA ILE A 69 1.458 0.960 -10.643 1.00 0.00 H new ATOM 0 HB ILE A 69 0.440 -1.136 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.045 0.820 -9.719 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.161 0.418 -8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.463 0.301 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.696 -0.335 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.144 1.350 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.924 2.866 -8.324 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.489 2.206 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.608 2.615 -9.195 1.00 0.00 H new ATOM 1165 N LYS A 70 3.695 -0.187 -10.373 1.00 0.00 N ATOM 1166 CA LYS A 70 4.982 -0.866 -10.441 1.00 0.00 C ATOM 1167 C LYS A 70 5.391 -1.378 -9.066 1.00 0.00 C ATOM 1168 O LYS A 70 5.932 -2.476 -8.939 1.00 0.00 O ATOM 1169 CB LYS A 70 6.052 0.094 -10.964 1.00 0.00 C ATOM 1170 CG LYS A 70 5.751 0.461 -12.423 1.00 0.00 C ATOM 1171 CD LYS A 70 7.059 0.769 -13.152 1.00 0.00 C ATOM 1172 CE LYS A 70 6.754 1.234 -14.575 1.00 0.00 C ATOM 1173 NZ LYS A 70 5.979 0.180 -15.286 1.00 0.00 N ATOM 0 H LYS A 70 3.750 0.827 -10.275 1.00 0.00 H new ATOM 0 HA LYS A 70 4.888 -1.713 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.077 0.995 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.036 -0.369 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.232 -0.361 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.088 1.325 -12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.613 1.541 -12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.692 -0.118 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.186 2.164 -14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.682 1.440 -15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.031 0.343 -16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.378 -0.754 -15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.986 0.214 -14.980 1.00 0.00 H new ATOM 1187 N SER A 71 5.126 -0.578 -8.037 1.00 0.00 N ATOM 1188 CA SER A 71 5.474 -0.966 -6.676 1.00 0.00 C ATOM 1189 C SER A 71 5.052 0.109 -5.675 1.00 0.00 C ATOM 1190 O SER A 71 4.486 1.136 -6.049 1.00 0.00 O ATOM 1191 CB SER A 71 6.984 -1.199 -6.571 1.00 0.00 C ATOM 1192 OG SER A 71 7.295 -2.497 -7.061 1.00 0.00 O ATOM 0 H SER A 71 4.676 0.334 -8.119 1.00 0.00 H new ATOM 0 HA SER A 71 4.943 -1.888 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.521 -0.443 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.307 -1.102 -5.535 1.00 0.00 H new ATOM 0 HG SER A 71 6.587 -2.796 -7.669 1.00 0.00 H new ATOM 1198 N VAL A 72 5.348 -0.141 -4.405 1.00 0.00 N ATOM 1199 CA VAL A 72 5.016 0.795 -3.335 1.00 0.00 C ATOM 1200 C VAL A 72 6.051 0.687 -2.220 1.00 0.00 C ATOM 1201 O VAL A 72 6.590 -0.391 -1.968 1.00 0.00 O ATOM 1202 CB VAL A 72 3.622 0.489 -2.776 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.208 1.585 -1.789 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.607 0.431 -3.922 1.00 0.00 C ATOM 0 H VAL A 72 5.820 -0.988 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 72 5.020 1.808 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 72 3.648 -0.472 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.216 1.363 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.925 1.625 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.188 2.547 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.617 0.213 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.586 1.391 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.895 -0.352 -4.623 1.00 0.00 H new ATOM 1214 N ASN A 73 6.331 1.808 -1.559 1.00 0.00 N ATOM 1215 CA ASN A 73 7.314 1.807 -0.477 1.00 0.00 C ATOM 1216 C ASN A 73 7.222 3.079 0.361 1.00 0.00 C ATOM 1217 O ASN A 73 6.598 4.062 -0.041 1.00 0.00 O ATOM 1218 CB ASN A 73 8.724 1.678 -1.057 1.00 0.00 C ATOM 1219 CG ASN A 73 9.694 1.210 0.024 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.348 0.358 0.842 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.893 1.721 0.076 1.00 0.00 N ATOM 0 H ASN A 73 5.901 2.713 -1.748 1.00 0.00 H new ATOM 0 HA ASN A 73 7.100 0.956 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.722 0.970 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.050 2.638 -1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.547 1.415 0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.176 2.427 -0.604 1.00 0.00 H new ATOM 1228 N PHE A 74 7.853 3.048 1.534 1.00 0.00 N ATOM 1229 CA PHE A 74 7.844 4.198 2.435 1.00 0.00 C ATOM 1230 C PHE A 74 9.266 4.539 2.879 1.00 0.00 C ATOM 1231 O PHE A 74 10.185 3.740 2.706 1.00 0.00 O ATOM 1232 CB PHE A 74 6.972 3.897 3.665 1.00 0.00 C ATOM 1233 CG PHE A 74 6.114 2.681 3.400 1.00 0.00 C ATOM 1234 CD1 PHE A 74 6.692 1.405 3.399 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.744 2.829 3.156 1.00 0.00 C ATOM 1236 CE1 PHE A 74 5.898 0.278 3.154 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.951 1.702 2.911 1.00 0.00 C ATOM 1238 CZ PHE A 74 4.528 0.427 2.910 1.00 0.00 C ATOM 0 H PHE A 74 8.374 2.243 1.881 1.00 0.00 H new ATOM 0 HA PHE A 74 7.428 5.053 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.604 3.725 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.341 4.756 3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.749 1.291 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.299 3.813 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.343 -0.706 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.894 1.816 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.916 -0.442 2.721 1.00 0.00 H new ATOM 1248 N VAL A 75 9.439 5.733 3.447 1.00 0.00 N ATOM 1249 CA VAL A 75 10.758 6.173 3.905 1.00 0.00 C ATOM 1250 C VAL A 75 10.620 7.182 5.051 1.00 0.00 C ATOM 1251 O VAL A 75 9.559 7.298 5.658 1.00 0.00 O ATOM 1252 CB VAL A 75 11.528 6.803 2.735 1.00 0.00 C ATOM 1253 CG1 VAL A 75 12.495 5.780 2.133 1.00 0.00 C ATOM 1254 CG2 VAL A 75 10.542 7.253 1.657 1.00 0.00 C ATOM 0 H VAL A 75 8.690 6.408 3.600 1.00 0.00 H new ATOM 0 HA VAL A 75 11.310 5.308 4.274 1.00 0.00 H new ATOM 0 HB VAL A 75 12.091 7.661 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.037 6.235 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.204 5.457 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.934 4.919 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.089 7.700 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.978 6.392 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.855 7.988 2.076 1.00 0.00 H new ATOM 1264 N ASN A 76 11.707 7.901 5.348 1.00 0.00 N ATOM 1265 CA ASN A 76 11.698 8.886 6.435 1.00 0.00 C ATOM 1266 C ASN A 76 12.080 10.280 5.930 1.00 0.00 C ATOM 1267 O ASN A 76 12.360 10.473 4.748 1.00 0.00 O ATOM 1268 CB ASN A 76 12.669 8.453 7.545 1.00 0.00 C ATOM 1269 CG ASN A 76 13.264 7.086 7.222 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.749 6.865 6.112 1.00 0.00 O ATOM 1271 ND2 ASN A 76 13.259 6.151 8.132 1.00 0.00 N ATOM 0 H ASN A 76 12.597 7.821 4.856 1.00 0.00 H new ATOM 0 HA ASN A 76 10.685 8.935 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.466 9.189 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.146 8.413 8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.657 5.235 7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.857 6.336 9.051 1.00 0.00 H new ATOM 1278 N GLU A 77 12.064 11.244 6.849 1.00 0.00 N ATOM 1279 CA GLU A 77 12.380 12.634 6.535 1.00 0.00 C ATOM 1280 C GLU A 77 13.444 12.753 5.454 1.00 0.00 C ATOM 1281 O GLU A 77 13.141 13.060 4.301 1.00 0.00 O ATOM 1282 CB GLU A 77 12.869 13.344 7.799 1.00 0.00 C ATOM 1283 CG GLU A 77 11.730 13.412 8.818 1.00 0.00 C ATOM 1284 CD GLU A 77 12.258 13.919 10.156 1.00 0.00 C ATOM 1285 OE1 GLU A 77 12.361 13.120 11.073 1.00 0.00 O ATOM 1286 OE2 GLU A 77 12.552 15.100 10.245 1.00 0.00 O ATOM 0 H GLU A 77 11.832 11.083 7.829 1.00 0.00 H new ATOM 0 HA GLU A 77 11.469 13.100 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.719 12.810 8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.213 14.349 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.944 14.073 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.284 12.425 8.944 1.00 0.00 H new ATOM 1293 N GLN A 78 14.692 12.543 5.843 1.00 0.00 N ATOM 1294 CA GLN A 78 15.806 12.665 4.907 1.00 0.00 C ATOM 1295 C GLN A 78 15.620 11.763 3.693 1.00 0.00 C ATOM 1296 O GLN A 78 15.730 12.215 2.554 1.00 0.00 O ATOM 1297 CB GLN A 78 17.121 12.321 5.609 1.00 0.00 C ATOM 1298 CG GLN A 78 17.401 13.355 6.700 1.00 0.00 C ATOM 1299 CD GLN A 78 18.633 12.947 7.499 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.631 11.907 8.156 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.692 13.709 7.481 1.00 0.00 N ATOM 0 H GLN A 78 14.961 12.289 6.793 1.00 0.00 H new ATOM 0 HA GLN A 78 15.835 13.698 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 78 17.063 11.323 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.938 12.307 4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.556 14.336 6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.539 13.440 7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.691 14.571 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.521 13.443 8.013 1.00 0.00 H new ATOM 1310 N ASP A 79 15.342 10.490 3.933 1.00 0.00 N ATOM 1311 CA ASP A 79 15.152 9.552 2.835 1.00 0.00 C ATOM 1312 C ASP A 79 14.115 10.090 1.848 1.00 0.00 C ATOM 1313 O ASP A 79 14.427 10.330 0.680 1.00 0.00 O ATOM 1314 CB ASP A 79 14.710 8.194 3.381 1.00 0.00 C ATOM 1315 CG ASP A 79 15.904 7.463 3.985 1.00 0.00 C ATOM 1316 OD1 ASP A 79 16.066 7.531 5.192 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.640 6.848 3.232 1.00 0.00 O ATOM 0 H ASP A 79 15.244 10.086 4.865 1.00 0.00 H new ATOM 0 HA ASP A 79 16.099 9.430 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.936 8.331 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.273 7.596 2.582 1.00 0.00 H new ATOM 1322 N PHE A 80 12.886 10.295 2.321 1.00 0.00 N ATOM 1323 CA PHE A 80 11.826 10.823 1.465 1.00 0.00 C ATOM 1324 C PHE A 80 12.358 11.991 0.642 1.00 0.00 C ATOM 1325 O PHE A 80 12.094 12.090 -0.557 1.00 0.00 O ATOM 1326 CB PHE A 80 10.649 11.280 2.342 1.00 0.00 C ATOM 1327 CG PHE A 80 9.856 12.367 1.647 1.00 0.00 C ATOM 1328 CD1 PHE A 80 10.309 13.692 1.676 1.00 0.00 C ATOM 1329 CD2 PHE A 80 8.668 12.049 0.977 1.00 0.00 C ATOM 1330 CE1 PHE A 80 9.576 14.696 1.034 1.00 0.00 C ATOM 1331 CE2 PHE A 80 7.935 13.055 0.335 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.389 14.378 0.363 1.00 0.00 C ATOM 0 H PHE A 80 12.602 10.106 3.282 1.00 0.00 H new ATOM 0 HA PHE A 80 11.484 10.045 0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.000 10.432 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 80 11.022 11.649 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.224 13.939 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 80 8.317 11.028 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.926 15.717 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.019 12.809 -0.182 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.824 15.154 -0.133 1.00 0.00 H new ATOM 1342 N PHE A 81 13.115 12.870 1.290 1.00 0.00 N ATOM 1343 CA PHE A 81 13.681 14.019 0.601 1.00 0.00 C ATOM 1344 C PHE A 81 14.591 13.548 -0.526 1.00 0.00 C ATOM 1345 O PHE A 81 14.290 13.751 -1.700 1.00 0.00 O ATOM 1346 CB PHE A 81 14.472 14.894 1.583 1.00 0.00 C ATOM 1347 CG PHE A 81 14.411 16.335 1.127 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.576 16.992 0.714 1.00 0.00 C ATOM 1349 CD2 PHE A 81 13.183 17.011 1.110 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.514 18.324 0.285 1.00 0.00 C ATOM 1351 CE2 PHE A 81 13.122 18.342 0.683 1.00 0.00 C ATOM 1352 CZ PHE A 81 14.287 18.999 0.270 1.00 0.00 C ATOM 0 H PHE A 81 13.348 12.809 2.281 1.00 0.00 H new ATOM 0 HA PHE A 81 12.869 14.613 0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.058 14.800 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.508 14.560 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 81 16.522 16.472 0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.283 16.504 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 81 16.413 18.831 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.176 18.863 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 81 14.240 20.026 -0.060 1.00 0.00 H new ATOM 1362 N PHE A 82 15.705 12.917 -0.154 1.00 0.00 N ATOM 1363 CA PHE A 82 16.664 12.409 -1.134 1.00 0.00 C ATOM 1364 C PHE A 82 15.970 12.052 -2.445 1.00 0.00 C ATOM 1365 O PHE A 82 16.507 12.287 -3.527 1.00 0.00 O ATOM 1366 CB PHE A 82 17.364 11.170 -0.575 1.00 0.00 C ATOM 1367 CG PHE A 82 18.380 10.670 -1.575 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.663 11.230 -1.611 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.039 9.644 -2.464 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.603 10.764 -2.537 1.00 0.00 C ATOM 1371 CE2 PHE A 82 18.979 9.178 -3.391 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.263 9.738 -3.427 1.00 0.00 C ATOM 0 H PHE A 82 15.965 12.746 0.817 1.00 0.00 H new ATOM 0 HA PHE A 82 17.397 13.191 -1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.855 11.411 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.632 10.390 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.927 12.021 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.050 9.211 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.592 11.196 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 82 18.715 8.388 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 82 20.990 9.379 -4.141 1.00 0.00 H new ATOM 1382 N ASN A 83 14.770 11.489 -2.338 1.00 0.00 N ATOM 1383 CA ASN A 83 14.011 11.113 -3.525 1.00 0.00 C ATOM 1384 C ASN A 83 13.384 12.348 -4.166 1.00 0.00 C ATOM 1385 O ASN A 83 13.516 12.571 -5.370 1.00 0.00 O ATOM 1386 CB ASN A 83 12.913 10.114 -3.153 1.00 0.00 C ATOM 1387 CG ASN A 83 12.077 9.775 -4.384 1.00 0.00 C ATOM 1388 OD1 ASN A 83 12.579 9.161 -5.326 1.00 0.00 O ATOM 1389 ND2 ASN A 83 10.826 10.143 -4.432 1.00 0.00 N ATOM 0 H ASN A 83 14.307 11.285 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 83 14.692 10.649 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.358 9.207 -2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.276 10.534 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.261 9.922 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.414 10.651 -3.650 1.00 0.00 H new ATOM 1396 N LEU A 84 12.701 13.147 -3.351 1.00 0.00 N ATOM 1397 CA LEU A 84 12.054 14.359 -3.839 1.00 0.00 C ATOM 1398 C LEU A 84 13.092 15.440 -4.115 1.00 0.00 C ATOM 1399 O LEU A 84 12.868 16.336 -4.927 1.00 0.00 O ATOM 1400 CB LEU A 84 11.048 14.855 -2.792 1.00 0.00 C ATOM 1401 CG LEU A 84 10.479 16.216 -3.206 1.00 0.00 C ATOM 1402 CD1 LEU A 84 9.829 16.106 -4.588 1.00 0.00 C ATOM 1403 CD2 LEU A 84 9.425 16.652 -2.184 1.00 0.00 C ATOM 0 H LEU A 84 12.582 12.977 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 84 11.532 14.135 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.239 14.132 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.535 14.937 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 84 11.284 16.950 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.426 17.076 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.575 15.790 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.023 15.373 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.016 17.620 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.623 15.915 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.885 16.732 -1.199 1.00 0.00 H new ATOM 1415 N ALA A 85 14.227 15.353 -3.431 1.00 0.00 N ATOM 1416 CA ALA A 85 15.287 16.335 -3.613 1.00 0.00 C ATOM 1417 C ALA A 85 15.952 16.158 -4.974 1.00 0.00 C ATOM 1418 O ALA A 85 16.752 16.991 -5.401 1.00 0.00 O ATOM 1419 CB ALA A 85 16.330 16.194 -2.501 1.00 0.00 C ATOM 0 H ALA A 85 14.435 14.620 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 85 14.847 17.331 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.118 16.933 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.855 16.356 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.761 15.193 -2.531 1.00 0.00 H new ATOM 1425 N LYS A 86 15.613 15.064 -5.650 1.00 0.00 N ATOM 1426 CA LYS A 86 16.180 14.779 -6.962 1.00 0.00 C ATOM 1427 C LYS A 86 16.048 15.989 -7.881 1.00 0.00 C ATOM 1428 O LYS A 86 16.990 16.347 -8.589 1.00 0.00 O ATOM 1429 CB LYS A 86 15.460 13.582 -7.586 1.00 0.00 C ATOM 1430 CG LYS A 86 16.033 13.308 -8.980 1.00 0.00 C ATOM 1431 CD LYS A 86 15.515 11.961 -9.495 1.00 0.00 C ATOM 1432 CE LYS A 86 14.061 12.106 -9.951 1.00 0.00 C ATOM 1433 NZ LYS A 86 13.624 10.849 -10.619 1.00 0.00 N ATOM 0 H LYS A 86 14.952 14.364 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 86 17.238 14.548 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 86 15.579 12.703 -6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.391 13.783 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.745 14.105 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.122 13.299 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.133 11.616 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.586 11.209 -8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.420 12.318 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.966 12.947 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.636 10.946 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.230 10.666 -11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.700 10.056 -9.951 1.00 0.00 H new