USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 721 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 66 HIS : no HD1:sc= -2.55 K(o=-5.2,f=-6) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -2.6 K(o=-5.2,f=-6.2!) USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= 1.33 (180deg=-0.0571) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= 0.0549 (180deg=0.0165) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.683 F(o=-1.4,f=-0.68) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.2!) USER MOD Single : A 15 THR OG1 : rot -78:sc= 0.532 USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.146 (180deg=-0.777) USER MOD Single : A 21 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 178:sc= -0.0959 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 117:sc= 1.7 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0978 USER MOD Single : A 77 TYR OH : rot 30:sc= 0.00451 USER MOD Single : A 79 ASN : amide:sc= -0.0908 K(o=-0.091,f=-1.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= -0.0479 (180deg=-0.274) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.145 K(o=-0.15,f=-3.5!) USER MOD Single : A 102 LYS NZ :NH3+ 124:sc= -0.122 (180deg=-0.71) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 3.320 -4.177 -2.063 1.00 0.00 N ATOM 30 CA PHE A 3 3.019 -5.446 -1.410 1.00 0.00 C ATOM 31 C PHE A 3 4.196 -6.410 -1.527 1.00 0.00 C ATOM 32 O PHE A 3 4.970 -6.351 -2.483 1.00 0.00 O ATOM 33 CB PHE A 3 1.767 -6.075 -2.024 1.00 0.00 C ATOM 34 CG PHE A 3 1.075 -7.047 -1.111 1.00 0.00 C ATOM 35 CD1 PHE A 3 1.488 -8.368 -1.043 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.012 -6.640 -0.322 1.00 0.00 C ATOM 37 CE1 PHE A 3 0.855 -9.265 -0.204 1.00 0.00 C ATOM 38 CE2 PHE A 3 -0.626 -7.533 0.520 1.00 0.00 C ATOM 39 CZ PHE A 3 -0.205 -8.847 0.578 1.00 0.00 C ATOM 0 HA PHE A 3 2.837 -5.249 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.068 -5.284 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.042 -6.587 -2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.315 -8.700 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.323 -5.614 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.188 -10.291 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.453 -7.203 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.703 -9.546 1.233 1.00 0.00 H new ATOM 49 N LYS A 4 4.325 -7.298 -0.547 1.00 0.00 N ATOM 50 CA LYS A 4 5.406 -8.277 -0.538 1.00 0.00 C ATOM 51 C LYS A 4 4.892 -9.652 -0.124 1.00 0.00 C ATOM 52 O LYS A 4 3.952 -9.762 0.663 1.00 0.00 O ATOM 53 CB LYS A 4 6.519 -7.829 0.412 1.00 0.00 C ATOM 54 CG LYS A 4 7.565 -8.899 0.671 1.00 0.00 C ATOM 55 CD LYS A 4 8.341 -9.237 -0.590 1.00 0.00 C ATOM 56 CE LYS A 4 8.969 -10.620 -0.505 1.00 0.00 C ATOM 57 NZ LYS A 4 9.733 -10.960 -1.737 1.00 0.00 N ATOM 0 H LYS A 4 3.694 -7.360 0.252 1.00 0.00 H new ATOM 0 HA LYS A 4 5.807 -8.348 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.008 -6.948 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.076 -7.529 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.254 -8.556 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.081 -9.798 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.675 -9.191 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.120 -8.492 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.633 -10.664 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.188 -11.364 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.584 -11.499 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.137 -11.534 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.012 -10.085 -2.225 1.00 0.00 H new ATOM 71 N PHE A 5 5.516 -10.697 -0.657 1.00 0.00 N ATOM 72 CA PHE A 5 5.121 -12.065 -0.342 1.00 0.00 C ATOM 73 C PHE A 5 5.055 -12.278 1.168 1.00 0.00 C ATOM 74 O PHE A 5 6.065 -12.183 1.864 1.00 0.00 O ATOM 75 CB PHE A 5 6.103 -13.058 -0.966 1.00 0.00 C ATOM 76 CG PHE A 5 6.360 -12.811 -2.425 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.327 -12.438 -3.270 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.633 -12.954 -2.952 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.559 -12.210 -4.613 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.871 -12.727 -4.295 1.00 0.00 C ATOM 81 CZ PHE A 5 6.833 -12.355 -5.126 1.00 0.00 C ATOM 0 H PHE A 5 6.297 -10.623 -1.309 1.00 0.00 H new ATOM 0 HA PHE A 5 4.128 -12.235 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.048 -13.010 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.715 -14.069 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.329 -12.324 -2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.448 -13.246 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.745 -11.919 -5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.868 -12.841 -4.694 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.017 -12.178 -6.175 1.00 0.00 H new ATOM 91 N GLY A 6 3.857 -12.566 1.667 1.00 0.00 N ATOM 92 CA GLY A 6 3.680 -12.787 3.090 1.00 0.00 C ATOM 93 C GLY A 6 4.570 -13.893 3.620 1.00 0.00 C ATOM 94 O GLY A 6 5.292 -14.538 2.859 1.00 0.00 O ATOM 0 H GLY A 6 3.006 -12.650 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.895 -11.863 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.638 -13.037 3.289 1.00 0.00 H new ATOM 98 N LYS A 7 4.522 -14.113 4.930 1.00 0.00 N ATOM 99 CA LYS A 7 5.331 -15.149 5.562 1.00 0.00 C ATOM 100 C LYS A 7 5.113 -16.498 4.885 1.00 0.00 C ATOM 101 O LYS A 7 6.057 -17.261 4.684 1.00 0.00 O ATOM 102 CB LYS A 7 4.990 -15.252 7.051 1.00 0.00 C ATOM 103 CG LYS A 7 6.198 -15.517 7.933 1.00 0.00 C ATOM 104 CD LYS A 7 6.548 -16.995 7.970 1.00 0.00 C ATOM 105 CE LYS A 7 7.849 -17.279 7.235 1.00 0.00 C ATOM 106 NZ LYS A 7 7.899 -18.673 6.715 1.00 0.00 N ATOM 0 H LYS A 7 3.931 -13.588 5.575 1.00 0.00 H new ATOM 0 HA LYS A 7 6.380 -14.874 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.513 -14.326 7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.263 -16.051 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.052 -14.949 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.995 -15.165 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.635 -17.323 9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.741 -17.572 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.959 -16.578 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.690 -17.112 7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.886 -18.934 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.507 -19.323 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.339 -18.738 5.841 1.00 0.00 H new ATOM 120 N ASN A 8 3.863 -16.785 4.536 1.00 0.00 N ATOM 121 CA ASN A 8 3.522 -18.043 3.880 1.00 0.00 C ATOM 122 C ASN A 8 3.910 -18.010 2.405 1.00 0.00 C ATOM 123 O ASN A 8 4.499 -18.958 1.886 1.00 0.00 O ATOM 124 CB ASN A 8 2.025 -18.325 4.020 1.00 0.00 C ATOM 125 CG ASN A 8 1.172 -17.150 3.582 1.00 0.00 C ATOM 126 OD1 ASN A 8 0.910 -16.232 4.505 1.00 0.00 O flip ATOM 127 ND2 ASN A 8 0.754 -17.069 2.426 1.00 0.00 N flip ATOM 0 H ASN A 8 3.070 -16.164 4.696 1.00 0.00 H new ATOM 0 HA ASN A 8 4.082 -18.842 4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.766 -19.201 3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.799 -18.567 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.980 -17.798 1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.182 -16.273 2.145 1.00 0.00 H new ATOM 134 N SER A 9 3.576 -16.911 1.736 1.00 0.00 N ATOM 135 CA SER A 9 3.885 -16.756 0.319 1.00 0.00 C ATOM 136 C SER A 9 5.357 -17.054 0.049 1.00 0.00 C ATOM 137 O SER A 9 5.688 -17.859 -0.821 1.00 0.00 O ATOM 138 CB SER A 9 3.547 -15.338 -0.146 1.00 0.00 C ATOM 139 OG SER A 9 2.183 -15.036 0.090 1.00 0.00 O ATOM 0 H SER A 9 3.092 -16.115 2.152 1.00 0.00 H new ATOM 0 HA SER A 9 3.279 -17.469 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.178 -14.620 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.766 -15.238 -1.209 1.00 0.00 H new ATOM 0 HG SER A 9 1.993 -14.124 -0.214 1.00 0.00 H new ATOM 145 N GLU A 10 6.235 -16.398 0.802 1.00 0.00 N ATOM 146 CA GLU A 10 7.672 -16.593 0.643 1.00 0.00 C ATOM 147 C GLU A 10 8.029 -18.075 0.690 1.00 0.00 C ATOM 148 O GLU A 10 8.916 -18.536 -0.029 1.00 0.00 O ATOM 149 CB GLU A 10 8.434 -15.838 1.734 1.00 0.00 C ATOM 150 CG GLU A 10 9.944 -15.962 1.618 1.00 0.00 C ATOM 151 CD GLU A 10 10.431 -15.841 0.187 1.00 0.00 C ATOM 152 OE1 GLU A 10 9.937 -14.950 -0.535 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.308 -16.637 -0.210 1.00 0.00 O ATOM 0 H GLU A 10 5.977 -15.728 1.527 1.00 0.00 H new ATOM 0 HA GLU A 10 7.961 -16.199 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.160 -14.784 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.121 -16.211 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.416 -15.189 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.258 -16.923 2.025 1.00 0.00 H new ATOM 160 N LYS A 11 7.332 -18.819 1.543 1.00 0.00 N ATOM 161 CA LYS A 11 7.573 -20.250 1.685 1.00 0.00 C ATOM 162 C LYS A 11 6.981 -21.021 0.510 1.00 0.00 C ATOM 163 O LYS A 11 7.483 -22.080 0.135 1.00 0.00 O ATOM 164 CB LYS A 11 6.974 -20.761 2.998 1.00 0.00 C ATOM 165 CG LYS A 11 5.690 -21.551 2.813 1.00 0.00 C ATOM 166 CD LYS A 11 5.973 -23.009 2.492 1.00 0.00 C ATOM 167 CE LYS A 11 5.027 -23.539 1.426 1.00 0.00 C ATOM 168 NZ LYS A 11 3.973 -24.416 2.007 1.00 0.00 N ATOM 0 H LYS A 11 6.595 -18.454 2.147 1.00 0.00 H new ATOM 0 HA LYS A 11 8.651 -20.412 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.708 -21.389 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.777 -19.912 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.089 -21.487 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.102 -21.108 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.003 -23.114 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.875 -23.608 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.558 -22.702 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.595 -24.097 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.348 -24.757 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.419 -25.228 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.415 -23.876 2.699 1.00 0.00 H new ATOM 182 N GLN A 12 5.912 -20.481 -0.068 1.00 0.00 N ATOM 183 CA GLN A 12 5.253 -21.119 -1.202 1.00 0.00 C ATOM 184 C GLN A 12 6.164 -21.129 -2.425 1.00 0.00 C ATOM 185 O GLN A 12 6.350 -22.165 -3.066 1.00 0.00 O ATOM 186 CB GLN A 12 3.945 -20.398 -1.530 1.00 0.00 C ATOM 187 CG GLN A 12 2.861 -20.597 -0.483 1.00 0.00 C ATOM 188 CD GLN A 12 1.510 -20.079 -0.935 1.00 0.00 C ATOM 189 OE1 GLN A 12 0.486 -20.737 -0.750 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.501 -18.893 -1.532 1.00 0.00 N ATOM 0 H GLN A 12 5.484 -19.604 0.230 1.00 0.00 H new ATOM 0 HA GLN A 12 5.031 -22.151 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.144 -19.332 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.577 -20.751 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.779 -21.658 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.152 -20.089 0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.374 -18.382 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.621 -18.493 -1.858 1.00 0.00 H new ATOM 199 N LEU A 13 6.728 -19.970 -2.746 1.00 0.00 N ATOM 200 CA LEU A 13 7.619 -19.844 -3.894 1.00 0.00 C ATOM 201 C LEU A 13 8.984 -20.457 -3.593 1.00 0.00 C ATOM 202 O LEU A 13 9.680 -20.920 -4.496 1.00 0.00 O ATOM 203 CB LEU A 13 7.782 -18.373 -4.280 1.00 0.00 C ATOM 204 CG LEU A 13 6.522 -17.669 -4.784 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.770 -18.556 -5.764 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.625 -17.280 -3.618 1.00 0.00 C ATOM 0 H LEU A 13 6.584 -19.104 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 13 7.174 -20.385 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.155 -17.829 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.547 -18.303 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 13 6.822 -16.760 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.876 -18.038 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.412 -18.784 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.482 -19.483 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.733 -16.780 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.334 -18.175 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.165 -16.606 -2.953 1.00 0.00 H new ATOM 218 N ALA A 14 9.359 -20.457 -2.318 1.00 0.00 N ATOM 219 CA ALA A 14 10.638 -21.016 -1.898 1.00 0.00 C ATOM 220 C ALA A 14 10.611 -22.540 -1.940 1.00 0.00 C ATOM 221 O ALA A 14 11.650 -23.193 -1.842 1.00 0.00 O ATOM 222 CB ALA A 14 10.992 -20.531 -0.500 1.00 0.00 C ATOM 0 H ALA A 14 8.795 -20.076 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 14 11.403 -20.673 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.949 -20.956 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.062 -19.443 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.219 -20.846 0.201 1.00 0.00 H new ATOM 228 N THR A 15 9.415 -23.102 -2.086 1.00 0.00 N ATOM 229 CA THR A 15 9.253 -24.550 -2.140 1.00 0.00 C ATOM 230 C THR A 15 9.074 -25.030 -3.575 1.00 0.00 C ATOM 231 O THR A 15 8.946 -26.229 -3.828 1.00 0.00 O ATOM 232 CB THR A 15 8.045 -25.011 -1.302 1.00 0.00 C ATOM 233 OG1 THR A 15 6.975 -24.067 -1.425 1.00 0.00 O ATOM 234 CG2 THR A 15 8.428 -25.162 0.162 1.00 0.00 C ATOM 0 H THR A 15 8.545 -22.577 -2.169 1.00 0.00 H new ATOM 0 HA THR A 15 10.162 -24.986 -1.725 1.00 0.00 H new ATOM 0 HB THR A 15 7.719 -25.981 -1.678 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.161 -23.286 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.559 -25.488 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.223 -25.902 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.777 -24.204 0.547 1.00 0.00 H new ATOM 242 N VAL A 16 9.067 -24.089 -4.513 1.00 0.00 N ATOM 243 CA VAL A 16 8.906 -24.417 -5.925 1.00 0.00 C ATOM 244 C VAL A 16 10.125 -25.161 -6.459 1.00 0.00 C ATOM 245 O VAL A 16 11.259 -24.876 -6.072 1.00 0.00 O ATOM 246 CB VAL A 16 8.679 -23.151 -6.773 1.00 0.00 C ATOM 247 CG1 VAL A 16 10.004 -22.473 -7.086 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.931 -23.495 -8.052 1.00 0.00 C ATOM 0 H VAL A 16 9.171 -23.093 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 16 8.029 -25.060 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 16 8.069 -22.454 -6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.823 -21.581 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.497 -22.191 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.642 -23.160 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.779 -22.589 -8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.513 -24.211 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.964 -23.932 -7.802 1.00 0.00 H new ATOM 258 N LYS A 17 9.885 -26.116 -7.350 1.00 0.00 N ATOM 259 CA LYS A 17 10.962 -26.901 -7.940 1.00 0.00 C ATOM 260 C LYS A 17 11.763 -26.066 -8.934 1.00 0.00 C ATOM 261 O LYS A 17 12.967 -25.861 -8.781 1.00 0.00 O ATOM 262 CB LYS A 17 10.396 -28.139 -8.638 1.00 0.00 C ATOM 263 CG LYS A 17 10.870 -29.449 -8.034 1.00 0.00 C ATOM 264 CD LYS A 17 10.074 -29.811 -6.791 1.00 0.00 C ATOM 265 CE LYS A 17 10.187 -31.293 -6.469 1.00 0.00 C ATOM 266 NZ LYS A 17 9.661 -32.143 -7.573 1.00 0.00 N ATOM 0 H LYS A 17 8.953 -26.365 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 17 11.628 -27.217 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.307 -28.103 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.676 -28.112 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.776 -30.246 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.927 -29.372 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.433 -29.225 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.026 -29.549 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.231 -31.545 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.638 -31.508 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.328 -33.049 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.871 -31.655 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.417 -32.320 -8.265 1.00 0.00 H new ATOM 280 N PRO A 18 11.081 -25.571 -9.977 1.00 0.00 N ATOM 281 CA PRO A 18 11.709 -24.748 -11.016 1.00 0.00 C ATOM 282 C PRO A 18 12.111 -23.371 -10.499 1.00 0.00 C ATOM 283 O PRO A 18 12.165 -23.143 -9.291 1.00 0.00 O ATOM 284 CB PRO A 18 10.615 -24.622 -12.079 1.00 0.00 C ATOM 285 CG PRO A 18 9.338 -24.807 -11.332 1.00 0.00 C ATOM 286 CD PRO A 18 9.643 -25.775 -10.223 1.00 0.00 C ATOM 0 HA PRO A 18 12.632 -25.193 -11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.650 -23.649 -12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.731 -25.376 -12.858 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.978 -23.858 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.557 -25.196 -11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.050 -25.566 -9.333 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.427 -26.803 -10.516 1.00 0.00 H new ATOM 294 N GLU A 19 12.392 -22.457 -11.423 1.00 0.00 N ATOM 295 CA GLU A 19 12.790 -21.102 -11.059 1.00 0.00 C ATOM 296 C GLU A 19 11.731 -20.090 -11.488 1.00 0.00 C ATOM 297 O GLU A 19 12.014 -18.900 -11.631 1.00 0.00 O ATOM 298 CB GLU A 19 14.134 -20.752 -11.700 1.00 0.00 C ATOM 299 CG GLU A 19 14.168 -20.972 -13.203 1.00 0.00 C ATOM 300 CD GLU A 19 14.806 -22.294 -13.584 1.00 0.00 C ATOM 301 OE1 GLU A 19 14.114 -23.331 -13.504 1.00 0.00 O ATOM 302 OE2 GLU A 19 15.996 -22.292 -13.963 1.00 0.00 O ATOM 0 H GLU A 19 12.351 -22.630 -12.427 1.00 0.00 H new ATOM 0 HA GLU A 19 12.891 -21.059 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.367 -19.708 -11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.916 -21.353 -11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.151 -20.937 -13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.719 -20.158 -13.673 1.00 0.00 H new ATOM 309 N LEU A 20 10.509 -20.572 -11.692 1.00 0.00 N ATOM 310 CA LEU A 20 9.406 -19.711 -12.105 1.00 0.00 C ATOM 311 C LEU A 20 9.214 -18.563 -11.120 1.00 0.00 C ATOM 312 O LEU A 20 8.888 -17.443 -11.514 1.00 0.00 O ATOM 313 CB LEU A 20 8.115 -20.523 -12.219 1.00 0.00 C ATOM 314 CG LEU A 20 7.468 -20.943 -10.898 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.542 -19.850 -10.386 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.708 -22.250 -11.069 1.00 0.00 C ATOM 0 H LEU A 20 10.258 -21.554 -11.578 1.00 0.00 H new ATOM 0 HA LEU A 20 9.650 -19.291 -13.081 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.390 -19.938 -12.786 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.324 -21.421 -12.800 1.00 0.00 H new ATOM 0 HG LEU A 20 8.257 -21.097 -10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.091 -20.166 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.113 -18.935 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.758 -19.664 -11.120 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.254 -22.534 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.928 -22.122 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.396 -23.032 -11.390 1.00 0.00 H new ATOM 328 N GLN A 21 9.419 -18.848 -9.838 1.00 0.00 N ATOM 329 CA GLN A 21 9.270 -17.838 -8.797 1.00 0.00 C ATOM 330 C GLN A 21 10.083 -16.591 -9.128 1.00 0.00 C ATOM 331 O GLN A 21 9.719 -15.480 -8.743 1.00 0.00 O ATOM 332 CB GLN A 21 9.705 -18.402 -7.444 1.00 0.00 C ATOM 333 CG GLN A 21 11.159 -18.847 -7.409 1.00 0.00 C ATOM 334 CD GLN A 21 12.099 -17.735 -6.988 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.688 -16.766 -6.348 1.00 0.00 O ATOM 336 NE2 GLN A 21 13.371 -17.868 -7.346 1.00 0.00 N ATOM 0 H GLN A 21 9.689 -19.770 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 21 8.218 -17.559 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.547 -17.645 -6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.068 -19.250 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.262 -19.685 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.448 -19.208 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.669 -18.687 -7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.050 -17.151 -7.091 1.00 0.00 H new ATOM 345 N LYS A 22 11.186 -16.783 -9.843 1.00 0.00 N ATOM 346 CA LYS A 22 12.052 -15.674 -10.226 1.00 0.00 C ATOM 347 C LYS A 22 11.253 -14.573 -10.916 1.00 0.00 C ATOM 348 O LYS A 22 11.279 -13.417 -10.495 1.00 0.00 O ATOM 349 CB LYS A 22 13.166 -16.167 -11.153 1.00 0.00 C ATOM 350 CG LYS A 22 14.187 -17.051 -10.459 1.00 0.00 C ATOM 351 CD LYS A 22 15.544 -16.977 -11.139 1.00 0.00 C ATOM 352 CE LYS A 22 16.334 -15.762 -10.675 1.00 0.00 C ATOM 353 NZ LYS A 22 17.772 -15.860 -11.051 1.00 0.00 N ATOM 0 H LYS A 22 11.502 -17.696 -10.169 1.00 0.00 H new ATOM 0 HA LYS A 22 12.496 -15.263 -9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.721 -16.720 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.677 -15.306 -11.584 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.284 -16.747 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.835 -18.083 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.110 -17.884 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.409 -16.934 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.905 -14.861 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.247 -15.664 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.276 -15.014 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.188 -16.706 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.857 -15.928 -12.085 1.00 0.00 H new ATOM 367 N VAL A 23 10.541 -14.941 -11.977 1.00 0.00 N ATOM 368 CA VAL A 23 9.732 -13.985 -12.724 1.00 0.00 C ATOM 369 C VAL A 23 8.732 -13.282 -11.812 1.00 0.00 C ATOM 370 O VAL A 23 8.491 -12.083 -11.947 1.00 0.00 O ATOM 371 CB VAL A 23 8.969 -14.671 -13.872 1.00 0.00 C ATOM 372 CG1 VAL A 23 7.764 -13.839 -14.285 1.00 0.00 C ATOM 373 CG2 VAL A 23 9.893 -14.912 -15.056 1.00 0.00 C ATOM 0 H VAL A 23 10.508 -15.894 -12.338 1.00 0.00 H new ATOM 0 HA VAL A 23 10.418 -13.249 -13.143 1.00 0.00 H new ATOM 0 HB VAL A 23 8.609 -15.637 -13.519 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.237 -14.340 -15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.093 -13.724 -13.434 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.098 -12.857 -14.620 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.337 -15.398 -15.858 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.285 -13.959 -15.411 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.720 -15.552 -14.748 1.00 0.00 H new ATOM 383 N ALA A 24 8.154 -14.037 -10.884 1.00 0.00 N ATOM 384 CA ALA A 24 7.182 -13.486 -9.948 1.00 0.00 C ATOM 385 C ALA A 24 7.789 -12.351 -9.130 1.00 0.00 C ATOM 386 O ALA A 24 7.226 -11.259 -9.053 1.00 0.00 O ATOM 387 CB ALA A 24 6.656 -14.578 -9.029 1.00 0.00 C ATOM 0 H ALA A 24 8.342 -15.032 -10.760 1.00 0.00 H new ATOM 0 HA ALA A 24 6.351 -13.079 -10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.931 -14.152 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.176 -15.354 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.484 -15.011 -8.468 1.00 0.00 H new ATOM 393 N ARG A 25 8.940 -12.617 -8.521 1.00 0.00 N ATOM 394 CA ARG A 25 9.622 -11.618 -7.707 1.00 0.00 C ATOM 395 C ARG A 25 9.968 -10.385 -8.537 1.00 0.00 C ATOM 396 O ARG A 25 9.594 -9.265 -8.188 1.00 0.00 O ATOM 397 CB ARG A 25 10.894 -12.209 -7.097 1.00 0.00 C ATOM 398 CG ARG A 25 11.468 -11.377 -5.962 1.00 0.00 C ATOM 399 CD ARG A 25 12.695 -12.038 -5.352 1.00 0.00 C ATOM 400 NE ARG A 25 13.903 -11.773 -6.129 1.00 0.00 N ATOM 401 CZ ARG A 25 15.077 -12.340 -5.878 1.00 0.00 C ATOM 402 NH1 ARG A 25 15.201 -13.199 -4.876 1.00 0.00 N ATOM 403 NH2 ARG A 25 16.131 -12.048 -6.630 1.00 0.00 N ATOM 0 H ARG A 25 9.420 -13.516 -8.576 1.00 0.00 H new ATOM 0 HA ARG A 25 8.948 -11.317 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.678 -13.212 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.647 -12.312 -7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.733 -10.387 -6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.709 -11.236 -5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.833 -11.676 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.533 -13.114 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 25 13.841 -11.116 -6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.393 -13.426 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.104 -13.633 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.040 -11.387 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.032 -12.484 -6.436 1.00 0.00 H new ATOM 417 N ARG A 26 10.685 -10.599 -9.636 1.00 0.00 N ATOM 418 CA ARG A 26 11.083 -9.506 -10.514 1.00 0.00 C ATOM 419 C ARG A 26 9.862 -8.745 -11.023 1.00 0.00 C ATOM 420 O ARG A 26 9.879 -7.519 -11.121 1.00 0.00 O ATOM 421 CB ARG A 26 11.893 -10.042 -11.696 1.00 0.00 C ATOM 422 CG ARG A 26 13.377 -10.184 -11.402 1.00 0.00 C ATOM 423 CD ARG A 26 14.225 -9.573 -12.507 1.00 0.00 C ATOM 424 NE ARG A 26 15.624 -9.980 -12.412 1.00 0.00 N ATOM 425 CZ ARG A 26 16.600 -9.430 -13.126 1.00 0.00 C ATOM 426 NH1 ARG A 26 16.330 -8.454 -13.982 1.00 0.00 N ATOM 427 NH2 ARG A 26 17.849 -9.855 -12.984 1.00 0.00 N ATOM 0 H ARG A 26 11.002 -11.520 -9.939 1.00 0.00 H new ATOM 0 HA ARG A 26 11.704 -8.819 -9.939 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.494 -11.014 -11.988 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.762 -9.375 -12.548 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.609 -9.699 -10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.628 -11.239 -11.291 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.826 -9.871 -13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.159 -8.486 -12.455 1.00 0.00 H new ATOM 0 HE ARG A 26 15.865 -10.728 -11.762 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.371 -8.124 -14.093 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.081 -8.033 -14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.061 -10.605 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.597 -9.432 -13.533 1.00 0.00 H new ATOM 441 N ALA A 27 8.805 -9.482 -11.346 1.00 0.00 N ATOM 442 CA ALA A 27 7.575 -8.877 -11.843 1.00 0.00 C ATOM 443 C ALA A 27 7.000 -7.891 -10.832 1.00 0.00 C ATOM 444 O ALA A 27 6.541 -6.808 -11.197 1.00 0.00 O ATOM 445 CB ALA A 27 6.553 -9.955 -12.173 1.00 0.00 C ATOM 0 H ALA A 27 8.775 -10.499 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 27 7.812 -8.326 -12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.640 -9.489 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.958 -10.618 -12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.329 -10.531 -11.275 1.00 0.00 H new ATOM 451 N LEU A 28 7.027 -8.273 -9.560 1.00 0.00 N ATOM 452 CA LEU A 28 6.508 -7.422 -8.495 1.00 0.00 C ATOM 453 C LEU A 28 7.048 -6.001 -8.620 1.00 0.00 C ATOM 454 O LEU A 28 6.336 -5.031 -8.361 1.00 0.00 O ATOM 455 CB LEU A 28 6.876 -8.001 -7.127 1.00 0.00 C ATOM 456 CG LEU A 28 5.856 -7.781 -6.009 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.629 -9.069 -5.234 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.318 -6.670 -5.077 1.00 0.00 C ATOM 0 H LEU A 28 7.403 -9.166 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 28 5.423 -7.388 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.036 -9.073 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.826 -7.568 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 28 4.910 -7.480 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.900 -8.894 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.254 -9.838 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.570 -9.400 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.580 -6.527 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.276 -6.942 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.429 -5.744 -5.642 1.00 0.00 H new ATOM 470 N GLU A 29 8.310 -5.887 -9.022 1.00 0.00 N ATOM 471 CA GLU A 29 8.945 -4.584 -9.183 1.00 0.00 C ATOM 472 C GLU A 29 8.765 -4.063 -10.606 1.00 0.00 C ATOM 473 O GLU A 29 8.374 -2.914 -10.815 1.00 0.00 O ATOM 474 CB GLU A 29 10.434 -4.671 -8.845 1.00 0.00 C ATOM 475 CG GLU A 29 10.733 -5.537 -7.632 1.00 0.00 C ATOM 476 CD GLU A 29 11.775 -4.921 -6.719 1.00 0.00 C ATOM 477 OE1 GLU A 29 12.762 -4.360 -7.239 1.00 0.00 O ATOM 478 OE2 GLU A 29 11.604 -5.001 -5.484 1.00 0.00 O ATOM 0 H GLU A 29 8.912 -6.680 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 29 8.464 -3.888 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.971 -5.069 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.817 -3.666 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.813 -5.699 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.080 -6.515 -7.965 1.00 0.00 H new ATOM 485 N LEU A 30 9.054 -4.917 -11.582 1.00 0.00 N ATOM 486 CA LEU A 30 8.925 -4.544 -12.987 1.00 0.00 C ATOM 487 C LEU A 30 7.545 -3.960 -13.271 1.00 0.00 C ATOM 488 O LEU A 30 7.422 -2.820 -13.719 1.00 0.00 O ATOM 489 CB LEU A 30 9.171 -5.760 -13.882 1.00 0.00 C ATOM 490 CG LEU A 30 10.611 -6.272 -13.939 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.720 -7.454 -14.889 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.556 -5.156 -14.361 1.00 0.00 C ATOM 0 H LEU A 30 9.379 -5.871 -11.427 1.00 0.00 H new ATOM 0 HA LEU A 30 9.673 -3.782 -13.206 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.531 -6.573 -13.540 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.855 -5.510 -14.895 1.00 0.00 H new ATOM 0 HG LEU A 30 10.898 -6.607 -12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.752 -7.805 -14.917 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.072 -8.259 -14.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.415 -7.146 -15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.577 -5.537 -14.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.270 -4.791 -15.348 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.499 -4.339 -13.642 1.00 0.00 H new ATOM 504 N SER A 31 6.508 -4.749 -13.006 1.00 0.00 N ATOM 505 CA SER A 31 5.136 -4.311 -13.235 1.00 0.00 C ATOM 506 C SER A 31 4.859 -2.995 -12.514 1.00 0.00 C ATOM 507 O SER A 31 5.532 -2.632 -11.549 1.00 0.00 O ATOM 508 CB SER A 31 4.151 -5.381 -12.762 1.00 0.00 C ATOM 509 OG SER A 31 3.379 -4.917 -11.669 1.00 0.00 O ATOM 0 H SER A 31 6.592 -5.694 -12.633 1.00 0.00 H new ATOM 0 HA SER A 31 5.005 -4.154 -14.306 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.492 -5.661 -13.584 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.697 -6.278 -12.471 1.00 0.00 H new ATOM 0 HG SER A 31 2.730 -5.604 -11.412 1.00 0.00 H new ATOM 515 N PRO A 32 3.843 -2.262 -12.992 1.00 0.00 N ATOM 516 CA PRO A 32 3.452 -0.975 -12.409 1.00 0.00 C ATOM 517 C PRO A 32 2.818 -1.132 -11.031 1.00 0.00 C ATOM 518 O PRO A 32 3.191 -0.439 -10.083 1.00 0.00 O ATOM 519 CB PRO A 32 2.429 -0.429 -13.408 1.00 0.00 C ATOM 520 CG PRO A 32 1.872 -1.637 -14.079 1.00 0.00 C ATOM 521 CD PRO A 32 2.997 -2.633 -14.139 1.00 0.00 C ATOM 0 HA PRO A 32 4.310 -0.320 -12.255 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.648 0.139 -12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.898 0.243 -14.127 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.025 -2.038 -13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.510 -1.396 -15.079 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.632 -3.657 -14.055 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.543 -2.566 -15.080 1.00 0.00 H new ATOM 529 N TYR A 33 1.860 -2.046 -10.926 1.00 0.00 N ATOM 530 CA TYR A 33 1.174 -2.292 -9.663 1.00 0.00 C ATOM 531 C TYR A 33 1.616 -3.618 -9.052 1.00 0.00 C ATOM 532 O TYR A 33 1.588 -4.658 -9.711 1.00 0.00 O ATOM 533 CB TYR A 33 -0.341 -2.295 -9.874 1.00 0.00 C ATOM 534 CG TYR A 33 -0.784 -1.515 -11.091 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.516 -0.156 -11.205 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.472 -2.136 -12.127 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.920 0.561 -12.315 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.878 -1.427 -13.241 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.600 -0.079 -13.330 1.00 0.00 C ATOM 540 OH TYR A 33 -2.004 0.631 -14.438 1.00 0.00 O ATOM 0 H TYR A 33 1.541 -2.629 -11.700 1.00 0.00 H new ATOM 0 HA TYR A 33 1.437 -1.490 -8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.684 -3.325 -9.968 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.823 -1.878 -8.990 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.017 0.348 -10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.693 -3.191 -12.060 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.704 1.617 -12.387 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.410 -1.925 -14.038 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.469 0.032 -15.059 1.00 0.00 H new ATOM 550 N ASP A 34 2.023 -3.573 -7.789 1.00 0.00 N ATOM 551 CA ASP A 34 2.470 -4.771 -7.086 1.00 0.00 C ATOM 552 C ASP A 34 1.406 -5.862 -7.142 1.00 0.00 C ATOM 553 O ASP A 34 0.300 -5.641 -7.637 1.00 0.00 O ATOM 554 CB ASP A 34 2.803 -4.439 -5.631 1.00 0.00 C ATOM 555 CG ASP A 34 1.810 -3.474 -5.015 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.836 -2.281 -5.383 1.00 0.00 O ATOM 557 OD2 ASP A 34 1.007 -3.912 -4.165 1.00 0.00 O ATOM 0 H ASP A 34 2.053 -2.720 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 34 3.368 -5.140 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.821 -5.359 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.803 -4.009 -5.579 1.00 0.00 H new ATOM 562 N PHE A 35 1.747 -7.041 -6.631 1.00 0.00 N ATOM 563 CA PHE A 35 0.822 -8.168 -6.625 1.00 0.00 C ATOM 564 C PHE A 35 1.074 -9.071 -5.421 1.00 0.00 C ATOM 565 O PHE A 35 2.213 -9.242 -4.985 1.00 0.00 O ATOM 566 CB PHE A 35 0.956 -8.974 -7.918 1.00 0.00 C ATOM 567 CG PHE A 35 2.164 -9.867 -7.945 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.131 -11.117 -7.348 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.332 -9.457 -8.568 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.241 -11.940 -7.371 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.445 -10.276 -8.594 1.00 0.00 C ATOM 572 CZ PHE A 35 4.398 -11.520 -7.995 1.00 0.00 C ATOM 0 H PHE A 35 2.657 -7.240 -6.216 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.192 -7.773 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.061 -9.582 -8.052 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.003 -8.286 -8.762 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.228 -11.452 -6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.373 -8.486 -9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.203 -12.912 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.350 -9.944 -9.082 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.266 -12.163 -8.015 1.00 0.00 H new ATOM 582 N THR A 36 0.002 -9.648 -4.886 1.00 0.00 N ATOM 583 CA THR A 36 0.105 -10.532 -3.732 1.00 0.00 C ATOM 584 C THR A 36 -0.027 -11.993 -4.146 1.00 0.00 C ATOM 585 O THR A 36 -0.917 -12.352 -4.918 1.00 0.00 O ATOM 586 CB THR A 36 -0.972 -10.209 -2.679 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.876 -11.125 -1.583 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.364 -10.284 -3.289 1.00 0.00 C ATOM 0 H THR A 36 -0.948 -9.518 -5.234 1.00 0.00 H new ATOM 0 HA THR A 36 1.090 -10.368 -3.295 1.00 0.00 H new ATOM 0 HB THR A 36 -0.804 -9.194 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.648 -10.635 -0.766 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.108 -10.052 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.443 -9.565 -4.104 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.539 -11.289 -3.673 1.00 0.00 H new ATOM 596 N ILE A 37 0.863 -12.832 -3.627 1.00 0.00 N ATOM 597 CA ILE A 37 0.844 -14.256 -3.941 1.00 0.00 C ATOM 598 C ILE A 37 -0.290 -14.965 -3.209 1.00 0.00 C ATOM 599 O ILE A 37 -0.564 -14.682 -2.042 1.00 0.00 O ATOM 600 CB ILE A 37 2.179 -14.931 -3.575 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.271 -14.521 -4.565 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.018 -16.443 -3.550 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.201 -15.262 -5.882 1.00 0.00 C ATOM 0 H ILE A 37 1.606 -12.551 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 37 0.687 -14.340 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 37 2.476 -14.601 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.195 -13.450 -4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.246 -14.695 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.970 -16.906 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.267 -16.717 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.702 -16.792 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.005 -14.921 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.308 -16.332 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.240 -15.068 -6.358 1.00 0.00 H new ATOM 615 N VAL A 38 -0.946 -15.891 -3.901 1.00 0.00 N ATOM 616 CA VAL A 38 -2.049 -16.645 -3.316 1.00 0.00 C ATOM 617 C VAL A 38 -1.645 -18.090 -3.048 1.00 0.00 C ATOM 618 O VAL A 38 -1.932 -18.637 -1.983 1.00 0.00 O ATOM 619 CB VAL A 38 -3.287 -16.630 -4.233 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.429 -17.410 -3.600 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.709 -15.201 -4.534 1.00 0.00 C ATOM 0 H VAL A 38 -0.733 -16.137 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.299 -16.160 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.027 -17.113 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.295 -17.389 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.120 -18.443 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.692 -16.958 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.585 -15.209 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.952 -14.690 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.893 -14.678 -5.033 1.00 0.00 H new ATOM 631 N GLN A 39 -0.978 -18.703 -4.020 1.00 0.00 N ATOM 632 CA GLN A 39 -0.535 -20.086 -3.888 1.00 0.00 C ATOM 633 C GLN A 39 0.686 -20.352 -4.763 1.00 0.00 C ATOM 634 O GLN A 39 0.836 -19.763 -5.832 1.00 0.00 O ATOM 635 CB GLN A 39 -1.666 -21.044 -4.265 1.00 0.00 C ATOM 636 CG GLN A 39 -2.478 -21.526 -3.074 1.00 0.00 C ATOM 637 CD GLN A 39 -3.133 -22.871 -3.320 1.00 0.00 C ATOM 638 OE1 GLN A 39 -2.578 -23.916 -2.981 1.00 0.00 O ATOM 639 NE2 GLN A 39 -4.321 -22.851 -3.913 1.00 0.00 N ATOM 0 H GLN A 39 -0.732 -18.264 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.257 -20.255 -2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.332 -20.547 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.243 -21.907 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.829 -21.597 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.247 -20.789 -2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.744 -21.961 -4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.810 -23.725 -4.104 1.00 0.00 H new ATOM 648 N GLY A 40 1.556 -21.245 -4.300 1.00 0.00 N ATOM 649 CA GLY A 40 2.753 -21.573 -5.052 1.00 0.00 C ATOM 650 C GLY A 40 3.008 -23.066 -5.113 1.00 0.00 C ATOM 651 O GLY A 40 3.070 -23.648 -6.196 1.00 0.00 O ATOM 0 H GLY A 40 1.453 -21.747 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.661 -21.182 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.611 -21.079 -4.596 1.00 0.00 H new ATOM 655 N ILE A 41 3.159 -23.686 -3.948 1.00 0.00 N ATOM 656 CA ILE A 41 3.410 -25.120 -3.873 1.00 0.00 C ATOM 657 C ILE A 41 2.496 -25.786 -2.850 1.00 0.00 C ATOM 658 O ILE A 41 2.241 -25.235 -1.779 1.00 0.00 O ATOM 659 CB ILE A 41 4.876 -25.417 -3.505 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.646 -25.898 -4.736 1.00 0.00 C ATOM 661 CG2 ILE A 41 4.944 -26.452 -2.392 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.164 -27.230 -5.268 1.00 0.00 C ATOM 0 H ILE A 41 3.112 -23.218 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 41 3.202 -25.528 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 41 5.339 -24.497 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.561 -25.149 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.704 -25.977 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.986 -26.651 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.427 -26.073 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.468 -27.375 -2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.755 -27.509 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.275 -27.992 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.114 -27.150 -5.551 1.00 0.00 H new ATOM 674 N ARG A 42 2.008 -26.975 -3.186 1.00 0.00 N ATOM 675 CA ARG A 42 1.123 -27.717 -2.297 1.00 0.00 C ATOM 676 C ARG A 42 1.914 -28.698 -1.436 1.00 0.00 C ATOM 677 O ARG A 42 2.467 -29.676 -1.939 1.00 0.00 O ATOM 678 CB ARG A 42 0.066 -28.471 -3.106 1.00 0.00 C ATOM 679 CG ARG A 42 -0.969 -27.563 -3.751 1.00 0.00 C ATOM 680 CD ARG A 42 -2.292 -27.606 -3.001 1.00 0.00 C ATOM 681 NE ARG A 42 -3.381 -27.024 -3.780 1.00 0.00 N ATOM 682 CZ ARG A 42 -4.065 -27.694 -4.701 1.00 0.00 C ATOM 683 NH1 ARG A 42 -3.774 -28.962 -4.957 1.00 0.00 N ATOM 684 NH2 ARG A 42 -5.044 -27.095 -5.368 1.00 0.00 N ATOM 0 H ARG A 42 2.211 -27.445 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 42 0.627 -27.002 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.562 -29.052 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.442 -29.180 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.594 -26.540 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.126 -27.866 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.535 -28.639 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.192 -27.068 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.630 -26.050 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.023 -29.426 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.301 -29.473 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.271 -26.120 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.569 -27.610 -6.075 1.00 0.00 H new ATOM 1035 N HIS A 66 0.109 -26.891 -9.529 1.00 0.00 N ATOM 1036 CA HIS A 66 0.705 -26.597 -8.231 1.00 0.00 C ATOM 1037 C HIS A 66 1.377 -27.837 -7.648 1.00 0.00 C ATOM 1038 O HIS A 66 2.411 -27.741 -6.987 1.00 0.00 O ATOM 1039 CB HIS A 66 -0.358 -26.076 -7.263 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.705 -24.635 -7.474 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.070 -23.604 -6.815 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.627 -24.054 -8.278 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.587 -22.451 -7.203 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.534 -22.697 -8.091 1.00 0.00 N ATOM 0 HA HIS A 66 1.463 -25.827 -8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.261 -26.678 -7.369 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.004 -26.210 -6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.309 -24.563 -8.943 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.287 -21.474 -6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.103 -21.993 -8.561 1.00 0.00 H new ATOM 1052 N ILE A 67 0.781 -28.998 -7.897 1.00 0.00 N ATOM 1053 CA ILE A 67 1.322 -30.256 -7.397 1.00 0.00 C ATOM 1054 C ILE A 67 2.718 -30.515 -7.956 1.00 0.00 C ATOM 1055 O ILE A 67 3.597 -31.014 -7.253 1.00 0.00 O ATOM 1056 CB ILE A 67 0.410 -31.444 -7.757 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.060 -31.056 -7.583 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.750 -32.652 -6.897 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.344 -30.326 -6.289 1.00 0.00 C ATOM 0 H ILE A 67 -0.076 -29.094 -8.442 1.00 0.00 H new ATOM 0 HA ILE A 67 1.378 -30.166 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 67 0.576 -31.708 -8.801 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.362 -30.426 -8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.672 -31.957 -7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.097 -33.483 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.788 -32.938 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.608 -32.402 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.405 -30.083 -6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.073 -30.961 -5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.759 -29.407 -6.254 1.00 0.00 H new ATOM 1071 N THR A 68 2.915 -30.170 -9.224 1.00 0.00 N ATOM 1072 CA THR A 68 4.203 -30.364 -9.877 1.00 0.00 C ATOM 1073 C THR A 68 5.125 -29.173 -9.640 1.00 0.00 C ATOM 1074 O THR A 68 6.259 -29.148 -10.116 1.00 0.00 O ATOM 1075 CB THR A 68 4.038 -30.576 -11.394 1.00 0.00 C ATOM 1076 OG1 THR A 68 3.636 -29.352 -12.019 1.00 0.00 O ATOM 1077 CG2 THR A 68 3.009 -31.659 -11.680 1.00 0.00 C ATOM 0 H THR A 68 2.199 -29.755 -9.819 1.00 0.00 H new ATOM 0 HA THR A 68 4.647 -31.257 -9.439 1.00 0.00 H new ATOM 0 HB THR A 68 4.998 -30.893 -11.801 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.535 -29.495 -12.983 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.910 -31.791 -12.757 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.332 -32.597 -11.228 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.047 -31.367 -11.260 1.00 0.00 H new ATOM 1085 N GLY A 69 4.630 -28.186 -8.899 1.00 0.00 N ATOM 1086 CA GLY A 69 5.423 -27.005 -8.610 1.00 0.00 C ATOM 1087 C GLY A 69 5.868 -26.285 -9.867 1.00 0.00 C ATOM 1088 O GLY A 69 6.812 -25.495 -9.837 1.00 0.00 O ATOM 0 H GLY A 69 3.694 -28.183 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.841 -26.323 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.300 -27.293 -8.030 1.00 0.00 H new ATOM 1092 N ASP A 70 5.188 -26.557 -10.975 1.00 0.00 N ATOM 1093 CA ASP A 70 5.519 -25.929 -12.249 1.00 0.00 C ATOM 1094 C ASP A 70 4.544 -24.801 -12.569 1.00 0.00 C ATOM 1095 O ASP A 70 4.388 -24.410 -13.725 1.00 0.00 O ATOM 1096 CB ASP A 70 5.504 -26.967 -13.373 1.00 0.00 C ATOM 1097 CG ASP A 70 6.634 -27.970 -13.251 1.00 0.00 C ATOM 1098 OD1 ASP A 70 7.762 -27.555 -12.909 1.00 0.00 O ATOM 1099 OD2 ASP A 70 6.391 -29.169 -13.496 1.00 0.00 O ATOM 0 H ASP A 70 4.404 -27.208 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 70 6.521 -25.507 -12.168 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.551 -27.495 -13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.576 -26.458 -14.334 1.00 0.00 H new ATOM 1104 N ALA A 71 3.889 -24.282 -11.535 1.00 0.00 N ATOM 1105 CA ALA A 71 2.929 -23.198 -11.705 1.00 0.00 C ATOM 1106 C ALA A 71 2.576 -22.561 -10.365 1.00 0.00 C ATOM 1107 O ALA A 71 2.754 -23.173 -9.311 1.00 0.00 O ATOM 1108 CB ALA A 71 1.673 -23.708 -12.396 1.00 0.00 C ATOM 0 H ALA A 71 4.006 -24.595 -10.571 1.00 0.00 H new ATOM 0 HA ALA A 71 3.390 -22.434 -12.331 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.965 -22.888 -12.516 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.934 -24.109 -13.376 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.219 -24.493 -11.792 1.00 0.00 H new ATOM 1114 N ILE A 72 2.077 -21.331 -10.413 1.00 0.00 N ATOM 1115 CA ILE A 72 1.699 -20.613 -9.202 1.00 0.00 C ATOM 1116 C ILE A 72 0.556 -19.641 -9.474 1.00 0.00 C ATOM 1117 O ILE A 72 0.268 -19.310 -10.624 1.00 0.00 O ATOM 1118 CB ILE A 72 2.891 -19.834 -8.614 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.397 -18.799 -9.620 1.00 0.00 C ATOM 1120 CG2 ILE A 72 4.007 -20.791 -8.223 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.722 -17.451 -9.492 1.00 0.00 C ATOM 0 H ILE A 72 1.925 -20.811 -11.277 1.00 0.00 H new ATOM 0 HA ILE A 72 1.373 -21.362 -8.480 1.00 0.00 H new ATOM 0 HB ILE A 72 2.558 -19.310 -7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.472 -18.672 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.242 -19.180 -10.630 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.842 -20.226 -7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.639 -21.494 -7.476 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.341 -21.340 -9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.130 -16.767 -10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.650 -17.564 -9.653 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.899 -17.049 -8.494 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.092 -19.186 -8.407 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.203 -18.249 -8.529 1.00 0.00 C ATOM 1135 C ASP A 73 -0.922 -16.969 -7.748 1.00 0.00 C ATOM 1136 O ASP A 73 -0.364 -17.008 -6.652 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.498 -18.892 -8.030 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.733 -18.217 -8.593 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -4.047 -17.092 -8.153 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.387 -18.815 -9.474 1.00 0.00 O ATOM 0 H ASP A 73 0.133 -19.451 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.316 -17.993 -9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.506 -19.947 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.527 -18.847 -6.941 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.312 -15.835 -8.321 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.101 -14.542 -7.679 1.00 0.00 C ATOM 1147 C PHE A 74 -2.291 -13.617 -7.914 1.00 0.00 C ATOM 1148 O PHE A 74 -3.221 -13.958 -8.646 1.00 0.00 O ATOM 1149 CB PHE A 74 0.178 -13.890 -8.208 1.00 0.00 C ATOM 1150 CG PHE A 74 0.008 -13.237 -9.550 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.387 -11.912 -9.645 1.00 0.00 C ATOM 1152 CD2 PHE A 74 0.244 -13.947 -10.716 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.545 -11.309 -10.878 1.00 0.00 C ATOM 1154 CE2 PHE A 74 0.087 -13.350 -11.952 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.306 -12.028 -12.033 1.00 0.00 C ATOM 0 H PHE A 74 -1.776 -15.785 -9.228 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.000 -14.709 -6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.519 -13.144 -7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.960 -14.646 -8.277 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.573 -11.345 -8.745 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.554 -14.980 -10.658 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.855 -10.276 -10.939 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.271 -13.916 -12.853 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.426 -11.558 -12.998 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.255 -12.446 -7.288 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.330 -11.470 -7.430 1.00 0.00 C ATOM 1167 C ALA A 75 -2.773 -10.072 -7.672 1.00 0.00 C ATOM 1168 O ALA A 75 -1.868 -9.608 -6.977 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.217 -11.480 -6.194 1.00 0.00 C ATOM 0 H ALA A 75 -1.494 -12.149 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.929 -11.749 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.015 -10.747 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.651 -12.472 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.621 -11.228 -5.317 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.323 -9.382 -8.682 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.896 -8.026 -9.040 1.00 0.00 C ATOM 1177 C PRO A 76 -3.296 -6.996 -7.988 1.00 0.00 C ATOM 1178 O PRO A 76 -4.482 -6.749 -7.767 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.630 -7.758 -10.356 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.828 -8.643 -10.309 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.405 -9.872 -9.553 1.00 0.00 C ATOM 0 HA PRO A 76 -1.812 -7.948 -9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.915 -6.710 -10.444 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.000 -7.990 -11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.661 -8.146 -9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.164 -8.899 -11.314 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.228 -10.291 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.056 -10.656 -10.225 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.301 -6.398 -7.344 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.549 -5.396 -6.314 1.00 0.00 C ATOM 1191 C TYR A 77 -2.643 -4.001 -6.923 1.00 0.00 C ATOM 1192 O TYR A 77 -1.786 -3.596 -7.710 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.441 -5.432 -5.260 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.957 -5.553 -3.844 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.423 -6.767 -3.355 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.976 -4.454 -2.994 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.895 -6.882 -2.062 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.445 -4.560 -1.699 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.904 -5.776 -1.238 1.00 0.00 C ATOM 1200 OH TYR A 77 -3.372 -5.887 0.051 1.00 0.00 O ATOM 0 H TYR A 77 -1.314 -6.590 -7.517 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.501 -5.629 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.779 -6.272 -5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.842 -4.525 -5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.416 -7.636 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.618 -3.500 -3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.255 -7.833 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.452 -3.696 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.209 -6.795 0.381 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.689 -3.269 -6.553 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.894 -1.919 -7.061 1.00 0.00 C ATOM 1212 C ILE A 78 -4.588 -1.041 -6.025 1.00 0.00 C ATOM 1213 O ILE A 78 -5.505 -1.484 -5.336 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.730 -1.925 -8.354 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.942 -2.574 -9.494 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -5.140 -0.508 -8.727 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.162 -4.066 -9.608 1.00 0.00 C ATOM 0 H ILE A 78 -4.407 -3.589 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.907 -1.511 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.633 -2.510 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.223 -2.101 -10.435 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.879 -2.382 -9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.730 -0.529 -9.643 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.735 -0.078 -7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.249 0.099 -8.884 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.573 -4.458 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.854 -4.551 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.218 -4.265 -9.788 1.00 0.00 H new ATOM 1229 N ASN A 79 -4.143 0.207 -5.922 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.723 1.148 -4.970 1.00 0.00 C ATOM 1231 C ASN A 79 -4.595 0.626 -3.542 1.00 0.00 C ATOM 1232 O ASN A 79 -5.456 0.875 -2.700 1.00 0.00 O ATOM 1233 CB ASN A 79 -6.194 1.402 -5.303 1.00 0.00 C ATOM 1234 CG ASN A 79 -6.370 2.438 -6.396 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.410 3.087 -6.812 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -7.601 2.599 -6.866 1.00 0.00 N ATOM 0 H ASN A 79 -3.384 0.590 -6.485 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.174 2.087 -5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.660 0.467 -5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.715 1.734 -4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.781 3.283 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.367 2.039 -6.492 1.00 0.00 H new ATOM 1243 N GLY A 80 -3.513 -0.099 -3.277 1.00 0.00 N ATOM 1244 CA GLY A 80 -3.291 -0.645 -1.951 1.00 0.00 C ATOM 1245 C GLY A 80 -4.299 -1.718 -1.590 1.00 0.00 C ATOM 1246 O GLY A 80 -4.488 -2.033 -0.415 1.00 0.00 O ATOM 0 H GLY A 80 -2.786 -0.318 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.286 -1.062 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.342 0.159 -1.217 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.949 -2.281 -2.603 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.944 -3.326 -2.388 1.00 0.00 C ATOM 1252 C LYS A 81 -5.967 -4.304 -3.558 1.00 0.00 C ATOM 1253 O LYS A 81 -5.570 -3.963 -4.672 1.00 0.00 O ATOM 1254 CB LYS A 81 -7.331 -2.707 -2.199 1.00 0.00 C ATOM 1255 CG LYS A 81 -7.391 -1.677 -1.085 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.812 -1.193 -0.849 1.00 0.00 C ATOM 1257 CE LYS A 81 -9.269 -0.248 -1.949 1.00 0.00 C ATOM 1258 NZ LYS A 81 -10.616 0.321 -1.667 1.00 0.00 N ATOM 0 H LYS A 81 -4.805 -2.031 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.671 -3.873 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.641 -2.238 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.048 -3.500 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.996 -2.110 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.754 -0.829 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.485 -2.049 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.870 -0.686 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.547 0.562 -2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.292 -0.781 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.892 0.960 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.310 -0.450 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.589 0.851 -0.773 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.435 -5.520 -3.297 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.512 -6.546 -4.329 1.00 0.00 C ATOM 1274 C ILE A 82 -7.467 -6.134 -5.444 1.00 0.00 C ATOM 1275 O ILE A 82 -8.562 -5.636 -5.185 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.972 -7.896 -3.748 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -6.196 -8.216 -2.469 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.791 -9.004 -4.775 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -7.038 -8.133 -1.215 1.00 0.00 C ATOM 0 H ILE A 82 -6.766 -5.818 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.507 -6.658 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.031 -7.826 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.776 -9.219 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.357 -7.526 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.120 -9.952 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.384 -8.779 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.739 -9.076 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.423 -8.372 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.436 -7.124 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.862 -8.843 -1.282 1.00 0.00 H new ATOM 1291 N ASP A 83 -7.045 -6.346 -6.686 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.863 -5.999 -7.842 1.00 0.00 C ATOM 1293 C ASP A 83 -8.474 -7.248 -8.469 1.00 0.00 C ATOM 1294 O ASP A 83 -7.828 -7.938 -9.257 1.00 0.00 O ATOM 1295 CB ASP A 83 -7.027 -5.248 -8.879 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.879 -4.607 -9.956 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.969 -5.143 -10.249 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.458 -3.568 -10.506 1.00 0.00 O ATOM 0 H ASP A 83 -6.141 -6.757 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.672 -5.352 -7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.439 -4.478 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.321 -5.938 -9.341 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.722 -7.532 -8.114 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.420 -8.698 -8.642 1.00 0.00 C ATOM 1305 C TRP A 84 -11.583 -8.279 -9.535 1.00 0.00 C ATOM 1306 O TRP A 84 -12.103 -9.082 -10.309 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.930 -9.575 -7.497 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.891 -10.511 -6.957 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.422 -10.563 -5.676 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.192 -11.527 -7.685 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.473 -11.550 -5.563 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.315 -12.157 -6.781 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.224 -11.967 -9.010 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.477 -13.202 -7.163 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.392 -13.004 -9.388 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.529 -13.613 -8.467 1.00 0.00 C ATOM 0 H TRP A 84 -10.271 -6.971 -7.463 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.714 -9.271 -9.243 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.287 -8.935 -6.690 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.785 -10.155 -7.846 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.749 -9.923 -4.870 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.968 -11.792 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.887 -11.505 -9.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.810 -13.671 -6.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.407 -13.351 -10.411 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.893 -14.422 -8.793 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.985 -7.018 -9.422 1.00 0.00 N ATOM 1328 CA ASN A 85 -13.088 -6.493 -10.219 1.00 0.00 C ATOM 1329 C ASN A 85 -12.566 -5.735 -11.437 1.00 0.00 C ATOM 1330 O ASN A 85 -13.102 -5.865 -12.538 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.966 -5.572 -9.370 1.00 0.00 C ATOM 1332 CG ASN A 85 -15.070 -6.326 -8.653 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -16.162 -6.508 -9.191 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -14.790 -6.767 -7.433 1.00 0.00 N ATOM 0 H ASN A 85 -11.564 -6.340 -8.786 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.686 -7.336 -10.565 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.345 -5.057 -8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.407 -4.806 -10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.494 -7.280 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.871 -6.593 -7.026 1.00 0.00 H new ATOM 1341 N ASP A 86 -11.518 -4.945 -11.231 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.923 -4.168 -12.311 1.00 0.00 C ATOM 1343 C ASP A 86 -9.966 -5.026 -13.134 1.00 0.00 C ATOM 1344 O ASP A 86 -8.773 -5.101 -12.839 1.00 0.00 O ATOM 1345 CB ASP A 86 -10.182 -2.954 -11.747 1.00 0.00 C ATOM 1346 CG ASP A 86 -10.940 -1.660 -11.968 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -12.129 -1.596 -11.590 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -10.344 -0.711 -12.519 1.00 0.00 O ATOM 0 H ASP A 86 -11.063 -4.826 -10.326 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.726 -3.823 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.016 -3.097 -10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.200 -2.881 -12.215 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.497 -5.671 -14.166 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.691 -6.524 -15.032 1.00 0.00 C ATOM 1355 C LEU A 87 -8.672 -5.701 -15.812 1.00 0.00 C ATOM 1356 O LEU A 87 -7.661 -6.226 -16.278 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.590 -7.296 -16.001 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.064 -6.526 -17.234 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -10.100 -6.726 -18.392 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.469 -6.960 -17.625 1.00 0.00 C ATOM 0 H LEU A 87 -11.483 -5.620 -14.424 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.152 -7.233 -14.403 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.052 -8.183 -16.336 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.467 -7.642 -15.454 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.088 -5.464 -16.989 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.454 -6.170 -19.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.111 -6.365 -18.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.042 -7.786 -18.638 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.791 -6.402 -18.504 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.471 -8.026 -17.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.153 -6.763 -16.800 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.944 -4.407 -15.949 1.00 0.00 N ATOM 1373 CA GLU A 88 -8.049 -3.511 -16.672 1.00 0.00 C ATOM 1374 C GLU A 88 -6.619 -3.635 -16.154 1.00 0.00 C ATOM 1375 O GLU A 88 -5.705 -3.980 -16.901 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.526 -2.063 -16.541 1.00 0.00 C ATOM 1377 CG GLU A 88 -9.615 -1.689 -17.533 1.00 0.00 C ATOM 1378 CD GLU A 88 -9.984 -0.219 -17.468 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.601 0.445 -16.482 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -10.654 0.266 -18.403 1.00 0.00 O ATOM 0 H GLU A 88 -9.776 -3.956 -15.569 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.062 -3.797 -17.724 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.897 -1.902 -15.529 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.676 -1.395 -16.679 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.281 -1.932 -18.542 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.502 -2.291 -17.337 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.435 -3.352 -14.868 1.00 0.00 N ATOM 1388 CA ALA A 89 -5.118 -3.433 -14.249 1.00 0.00 C ATOM 1389 C ALA A 89 -4.526 -4.830 -14.400 1.00 0.00 C ATOM 1390 O ALA A 89 -3.325 -4.986 -14.620 1.00 0.00 O ATOM 1391 CB ALA A 89 -5.202 -3.049 -12.779 1.00 0.00 C ATOM 0 H ALA A 89 -7.182 -3.065 -14.235 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.459 -2.731 -14.760 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.211 -3.114 -12.329 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.575 -2.029 -12.690 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.880 -3.729 -12.263 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.376 -5.844 -14.279 1.00 0.00 N ATOM 1398 CA PHE A 90 -4.936 -7.229 -14.400 1.00 0.00 C ATOM 1399 C PHE A 90 -4.200 -7.453 -15.717 1.00 0.00 C ATOM 1400 O PHE A 90 -3.354 -8.340 -15.825 1.00 0.00 O ATOM 1401 CB PHE A 90 -6.134 -8.177 -14.304 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.749 -9.629 -14.289 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.642 -10.059 -13.575 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -6.495 -10.564 -14.989 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -4.286 -11.394 -13.559 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -6.143 -11.901 -14.976 1.00 0.00 C ATOM 1407 CZ PHE A 90 -5.037 -12.316 -14.261 1.00 0.00 C ATOM 0 H PHE A 90 -6.373 -5.733 -14.097 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.249 -7.439 -13.580 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.696 -7.949 -13.398 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.800 -7.995 -15.147 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.051 -9.342 -13.025 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.361 -10.245 -15.551 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.421 -11.716 -12.998 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.733 -12.620 -15.525 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.760 -13.360 -14.251 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.529 -6.643 -16.716 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.900 -6.752 -18.028 1.00 0.00 C ATOM 1419 C TRP A 91 -2.473 -6.216 -17.993 1.00 0.00 C ATOM 1420 O TRP A 91 -1.577 -6.769 -18.630 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.718 -5.992 -19.074 1.00 0.00 C ATOM 1422 CG TRP A 91 -4.156 -6.099 -20.459 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -4.332 -7.129 -21.338 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -3.326 -5.140 -21.123 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -3.662 -6.868 -22.508 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -3.037 -5.654 -22.402 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -2.801 -3.896 -20.762 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -2.245 -4.966 -23.319 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -2.015 -3.215 -21.673 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -1.744 -3.751 -22.939 1.00 0.00 C ATOM 0 H TRP A 91 -5.228 -5.903 -16.643 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.866 -7.807 -18.301 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.739 -6.373 -19.073 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.770 -4.941 -18.791 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -4.913 -8.018 -21.142 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -3.634 -7.479 -23.324 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.006 -3.474 -19.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.034 -5.377 -24.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.603 -2.254 -21.404 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -1.127 -3.194 -23.629 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.269 -5.136 -17.246 1.00 0.00 N ATOM 1442 CA ALA A 92 -0.950 -4.527 -17.127 1.00 0.00 C ATOM 1443 C ALA A 92 -0.066 -5.315 -16.166 1.00 0.00 C ATOM 1444 O ALA A 92 1.149 -5.392 -16.346 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.075 -3.082 -16.668 1.00 0.00 C ATOM 0 H ALA A 92 -3.001 -4.665 -16.714 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.479 -4.545 -18.110 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.082 -2.640 -16.583 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.662 -2.519 -17.394 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.570 -3.050 -15.697 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.685 -5.898 -15.144 1.00 0.00 N ATOM 1452 CA VAL A 93 0.046 -6.681 -14.155 1.00 0.00 C ATOM 1453 C VAL A 93 0.553 -7.988 -14.753 1.00 0.00 C ATOM 1454 O VAL A 93 1.739 -8.307 -14.662 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.832 -6.997 -12.929 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -0.158 -8.033 -12.042 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -1.132 -5.727 -12.147 1.00 0.00 C ATOM 0 H VAL A 93 -1.690 -5.843 -14.980 1.00 0.00 H new ATOM 0 HA VAL A 93 0.896 -6.076 -13.839 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.777 -7.413 -13.278 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.793 -8.243 -11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.000 -8.950 -12.609 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.803 -7.649 -11.699 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.753 -5.969 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.198 -5.280 -11.807 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.660 -5.021 -12.788 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.352 -8.742 -15.367 1.00 0.00 N ATOM 1468 CA LYS A 94 0.002 -10.015 -15.984 1.00 0.00 C ATOM 1469 C LYS A 94 0.977 -9.807 -17.139 1.00 0.00 C ATOM 1470 O LYS A 94 1.816 -10.664 -17.418 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.255 -10.730 -16.485 1.00 0.00 C ATOM 1472 CG LYS A 94 -1.072 -12.226 -16.666 1.00 0.00 C ATOM 1473 CD LYS A 94 -2.335 -12.990 -16.306 1.00 0.00 C ATOM 1474 CE LYS A 94 -2.462 -14.272 -17.115 1.00 0.00 C ATOM 1475 NZ LYS A 94 -2.740 -13.995 -18.552 1.00 0.00 N ATOM 0 H LYS A 94 -1.338 -8.493 -15.451 1.00 0.00 H new ATOM 0 HA LYS A 94 0.487 -10.634 -15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.068 -10.555 -15.780 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.557 -10.292 -17.436 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.800 -12.438 -17.700 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.247 -12.571 -16.042 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.326 -13.229 -15.243 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.206 -12.359 -16.483 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.542 -14.849 -17.028 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.263 -14.885 -16.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.179 -14.831 -18.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.386 -13.184 -18.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.849 -13.777 -19.042 1.00 0.00 H new ATOM 1489 N LYS A 95 0.861 -8.665 -17.807 1.00 0.00 N ATOM 1490 CA LYS A 95 1.733 -8.342 -18.930 1.00 0.00 C ATOM 1491 C LYS A 95 3.196 -8.340 -18.499 1.00 0.00 C ATOM 1492 O LYS A 95 4.090 -8.602 -19.303 1.00 0.00 O ATOM 1493 CB LYS A 95 1.361 -6.979 -19.516 1.00 0.00 C ATOM 1494 CG LYS A 95 2.315 -6.500 -20.596 1.00 0.00 C ATOM 1495 CD LYS A 95 2.348 -7.458 -21.776 1.00 0.00 C ATOM 1496 CE LYS A 95 2.617 -6.725 -23.081 1.00 0.00 C ATOM 1497 NZ LYS A 95 1.381 -6.103 -23.632 1.00 0.00 N ATOM 0 H LYS A 95 0.170 -7.946 -17.590 1.00 0.00 H new ATOM 0 HA LYS A 95 1.598 -9.108 -19.694 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.354 -7.034 -19.931 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.335 -6.242 -18.713 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.012 -5.510 -20.938 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.317 -6.400 -20.179 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.120 -8.210 -21.614 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.397 -7.987 -21.844 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.369 -5.954 -22.916 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.029 -7.422 -23.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.606 -5.613 -24.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.672 -6.842 -23.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.001 -5.419 -22.947 1.00 0.00 H new ATOM 1511 N ALA A 96 3.433 -8.044 -17.225 1.00 0.00 N ATOM 1512 CA ALA A 96 4.787 -8.012 -16.687 1.00 0.00 C ATOM 1513 C ALA A 96 5.347 -9.421 -16.524 1.00 0.00 C ATOM 1514 O ALA A 96 6.555 -9.635 -16.624 1.00 0.00 O ATOM 1515 CB ALA A 96 4.809 -7.276 -15.356 1.00 0.00 C ATOM 0 H ALA A 96 2.704 -7.823 -16.546 1.00 0.00 H new ATOM 0 HA ALA A 96 5.420 -7.478 -17.396 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.827 -7.260 -14.966 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.459 -6.254 -15.500 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.157 -7.786 -14.647 1.00 0.00 H new ATOM 1521 N PHE A 97 4.461 -10.379 -16.272 1.00 0.00 N ATOM 1522 CA PHE A 97 4.868 -11.768 -16.093 1.00 0.00 C ATOM 1523 C PHE A 97 5.375 -12.359 -17.405 1.00 0.00 C ATOM 1524 O PHE A 97 6.418 -13.012 -17.441 1.00 0.00 O ATOM 1525 CB PHE A 97 3.698 -12.600 -15.565 1.00 0.00 C ATOM 1526 CG PHE A 97 3.688 -12.738 -14.069 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.345 -11.665 -13.263 1.00 0.00 C ATOM 1528 CD2 PHE A 97 4.021 -13.942 -13.469 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.336 -11.789 -11.887 1.00 0.00 C ATOM 1530 CE2 PHE A 97 4.013 -14.073 -12.093 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.669 -12.995 -11.301 1.00 0.00 C ATOM 0 H PHE A 97 3.457 -10.219 -16.187 1.00 0.00 H new ATOM 0 HA PHE A 97 5.680 -11.792 -15.366 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.763 -12.142 -15.886 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.737 -13.593 -16.013 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.082 -10.720 -13.715 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.290 -14.788 -14.084 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.069 -10.944 -11.270 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.275 -15.017 -11.638 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.660 -13.095 -10.226 1.00 0.00 H new ATOM 1541 N GLU A 98 4.629 -12.126 -18.480 1.00 0.00 N ATOM 1542 CA GLU A 98 5.003 -12.637 -19.794 1.00 0.00 C ATOM 1543 C GLU A 98 6.264 -11.948 -20.307 1.00 0.00 C ATOM 1544 O GLU A 98 7.106 -12.573 -20.951 1.00 0.00 O ATOM 1545 CB GLU A 98 3.857 -12.435 -20.789 1.00 0.00 C ATOM 1546 CG GLU A 98 3.287 -11.027 -20.784 1.00 0.00 C ATOM 1547 CD GLU A 98 2.408 -10.749 -21.988 1.00 0.00 C ATOM 1548 OE1 GLU A 98 2.922 -10.807 -23.124 1.00 0.00 O ATOM 1549 OE2 GLU A 98 1.206 -10.473 -21.792 1.00 0.00 O ATOM 0 H GLU A 98 3.763 -11.587 -18.467 1.00 0.00 H new ATOM 0 HA GLU A 98 5.207 -13.703 -19.697 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.213 -12.670 -21.792 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.059 -13.142 -20.560 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.707 -10.877 -19.873 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.106 -10.308 -20.763 1.00 0.00 H new ATOM 1556 N GLN A 99 6.385 -10.656 -20.017 1.00 0.00 N ATOM 1557 CA GLN A 99 7.542 -9.882 -20.450 1.00 0.00 C ATOM 1558 C GLN A 99 8.758 -10.190 -19.583 1.00 0.00 C ATOM 1559 O GLN A 99 9.896 -10.131 -20.050 1.00 0.00 O ATOM 1560 CB GLN A 99 7.229 -8.386 -20.398 1.00 0.00 C ATOM 1561 CG GLN A 99 6.269 -7.926 -21.484 1.00 0.00 C ATOM 1562 CD GLN A 99 6.974 -7.601 -22.786 1.00 0.00 C ATOM 1563 OE1 GLN A 99 7.884 -8.315 -23.209 1.00 0.00 O ATOM 1564 NE2 GLN A 99 6.556 -6.518 -23.431 1.00 0.00 N ATOM 0 H GLN A 99 5.696 -10.124 -19.485 1.00 0.00 H new ATOM 0 HA GLN A 99 7.772 -10.162 -21.478 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.804 -8.146 -19.424 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.160 -7.825 -20.486 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.527 -8.705 -21.661 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.730 -7.045 -21.137 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.799 -5.955 -23.044 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.992 -6.249 -24.313 1.00 0.00 H new ATOM 1573 N ALA A 100 8.510 -10.518 -18.320 1.00 0.00 N ATOM 1574 CA ALA A 100 9.585 -10.836 -17.388 1.00 0.00 C ATOM 1575 C ALA A 100 10.310 -12.112 -17.802 1.00 0.00 C ATOM 1576 O ALA A 100 11.526 -12.113 -17.992 1.00 0.00 O ATOM 1577 CB ALA A 100 9.036 -10.974 -15.976 1.00 0.00 C ATOM 0 H ALA A 100 7.574 -10.571 -17.918 1.00 0.00 H new ATOM 0 HA ALA A 100 10.304 -10.017 -17.408 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.850 -11.212 -15.291 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.569 -10.036 -15.674 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.295 -11.773 -15.950 1.00 0.00 H new ATOM 1583 N GLY A 101 9.556 -13.198 -17.941 1.00 0.00 N ATOM 1584 CA GLY A 101 10.145 -14.466 -18.331 1.00 0.00 C ATOM 1585 C GLY A 101 10.855 -14.388 -19.668 1.00 0.00 C ATOM 1586 O GLY A 101 11.774 -15.162 -19.938 1.00 0.00 O ATOM 0 H GLY A 101 8.547 -13.222 -17.790 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.852 -14.785 -17.566 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.365 -15.226 -18.381 1.00 0.00 H new ATOM 1590 N LYS A 102 10.427 -13.453 -20.510 1.00 0.00 N ATOM 1591 CA LYS A 102 11.027 -13.277 -21.827 1.00 0.00 C ATOM 1592 C LYS A 102 12.515 -12.963 -21.710 1.00 0.00 C ATOM 1593 O LYS A 102 13.352 -13.657 -22.286 1.00 0.00 O ATOM 1594 CB LYS A 102 10.317 -12.155 -22.587 1.00 0.00 C ATOM 1595 CG LYS A 102 9.291 -12.654 -23.590 1.00 0.00 C ATOM 1596 CD LYS A 102 8.556 -11.502 -24.256 1.00 0.00 C ATOM 1597 CE LYS A 102 9.267 -11.043 -25.519 1.00 0.00 C ATOM 1598 NZ LYS A 102 9.304 -12.113 -26.555 1.00 0.00 N ATOM 0 H LYS A 102 9.667 -12.805 -20.303 1.00 0.00 H new ATOM 0 HA LYS A 102 10.913 -14.210 -22.378 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.823 -11.498 -21.871 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.061 -11.554 -23.110 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.787 -13.258 -24.350 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.574 -13.302 -23.086 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.540 -11.811 -24.501 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.476 -10.668 -23.559 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.762 -10.165 -25.922 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.285 -10.740 -25.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.877 -11.759 -27.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.291 -12.388 -26.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.770 -12.940 -26.219 1.00 0.00 H new ATOM 1612 N GLU A 103 12.837 -11.914 -20.958 1.00 0.00 N ATOM 1613 CA GLU A 103 14.225 -11.511 -20.765 1.00 0.00 C ATOM 1614 C GLU A 103 14.895 -12.362 -19.691 1.00 0.00 C ATOM 1615 O GLU A 103 16.057 -12.747 -19.823 1.00 0.00 O ATOM 1616 CB GLU A 103 14.300 -10.032 -20.380 1.00 0.00 C ATOM 1617 CG GLU A 103 13.522 -9.690 -19.120 1.00 0.00 C ATOM 1618 CD GLU A 103 13.574 -8.213 -18.785 1.00 0.00 C ATOM 1619 OE1 GLU A 103 13.258 -7.392 -19.672 1.00 0.00 O ATOM 1620 OE2 GLU A 103 13.931 -7.877 -17.637 1.00 0.00 O ATOM 0 H GLU A 103 12.156 -11.329 -20.473 1.00 0.00 H new ATOM 0 HA GLU A 103 14.755 -11.662 -21.706 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.345 -9.755 -20.238 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.920 -9.431 -21.206 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.483 -9.994 -19.246 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.923 -10.263 -18.284 1.00 0.00 H new ATOM 1627 N LEU A 104 14.154 -12.652 -18.627 1.00 0.00 N ATOM 1628 CA LEU A 104 14.675 -13.457 -17.528 1.00 0.00 C ATOM 1629 C LEU A 104 14.992 -14.875 -17.995 1.00 0.00 C ATOM 1630 O LEU A 104 15.765 -15.590 -17.359 1.00 0.00 O ATOM 1631 CB LEU A 104 13.668 -13.500 -16.378 1.00 0.00 C ATOM 1632 CG LEU A 104 13.533 -12.218 -15.556 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.137 -12.108 -14.963 1.00 0.00 C ATOM 1634 CD2 LEU A 104 14.586 -12.176 -14.457 1.00 0.00 C ATOM 0 H LEU A 104 13.190 -12.342 -18.502 1.00 0.00 H new ATOM 0 HA LEU A 104 15.597 -12.994 -17.177 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.689 -13.750 -16.788 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.949 -14.311 -15.706 1.00 0.00 H new ATOM 0 HG LEU A 104 13.692 -11.367 -16.218 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.060 -11.189 -14.381 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.401 -12.092 -15.766 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.948 -12.964 -14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.475 -11.257 -13.882 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.458 -13.034 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.580 -12.207 -14.904 1.00 0.00 H new ATOM 1646 N GLY A 105 14.391 -15.273 -19.112 1.00 0.00 N ATOM 1647 CA GLY A 105 14.623 -16.602 -19.646 1.00 0.00 C ATOM 1648 C GLY A 105 13.804 -17.663 -18.937 1.00 0.00 C ATOM 1649 O GLY A 105 13.857 -18.840 -19.296 1.00 0.00 O ATOM 0 H GLY A 105 13.748 -14.699 -19.657 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.381 -16.611 -20.709 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.682 -16.846 -19.558 1.00 0.00 H new ATOM 1653 N ILE A 106 13.047 -17.248 -17.928 1.00 0.00 N ATOM 1654 CA ILE A 106 12.215 -18.171 -17.167 1.00 0.00 C ATOM 1655 C ILE A 106 10.938 -18.515 -17.928 1.00 0.00 C ATOM 1656 O ILE A 106 10.307 -17.645 -18.529 1.00 0.00 O ATOM 1657 CB ILE A 106 11.839 -17.588 -15.792 1.00 0.00 C ATOM 1658 CG1 ILE A 106 12.973 -17.815 -14.790 1.00 0.00 C ATOM 1659 CG2 ILE A 106 10.546 -18.213 -15.288 1.00 0.00 C ATOM 1660 CD1 ILE A 106 14.045 -16.749 -14.841 1.00 0.00 C ATOM 0 H ILE A 106 12.993 -16.278 -17.618 1.00 0.00 H new ATOM 0 HA ILE A 106 12.803 -19.077 -17.019 1.00 0.00 H new ATOM 0 HB ILE A 106 11.684 -16.514 -15.899 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.556 -17.852 -13.784 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.428 -18.787 -14.982 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.293 -17.791 -14.315 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.742 -18.005 -15.994 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.676 -19.291 -15.193 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.817 -16.973 -14.105 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.489 -16.727 -15.836 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.603 -15.778 -14.619 1.00 0.00 H new ATOM 1672 N LYS A 107 10.562 -19.789 -17.896 1.00 0.00 N ATOM 1673 CA LYS A 107 9.359 -20.249 -18.579 1.00 0.00 C ATOM 1674 C LYS A 107 8.123 -19.527 -18.051 1.00 0.00 C ATOM 1675 O LYS A 107 7.819 -19.587 -16.859 1.00 0.00 O ATOM 1676 CB LYS A 107 9.194 -21.760 -18.403 1.00 0.00 C ATOM 1677 CG LYS A 107 10.125 -22.580 -19.279 1.00 0.00 C ATOM 1678 CD LYS A 107 11.366 -23.017 -18.518 1.00 0.00 C ATOM 1679 CE LYS A 107 12.603 -22.270 -18.992 1.00 0.00 C ATOM 1680 NZ LYS A 107 13.468 -23.121 -19.855 1.00 0.00 N ATOM 0 H LYS A 107 11.074 -20.522 -17.404 1.00 0.00 H new ATOM 0 HA LYS A 107 9.465 -20.022 -19.640 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.371 -22.017 -17.359 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.163 -22.033 -18.628 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.597 -23.458 -19.651 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.419 -21.993 -20.149 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.221 -22.842 -17.452 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.515 -24.089 -18.648 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.301 -21.381 -19.545 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.174 -21.929 -18.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.300 -22.576 -20.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.778 -23.957 -19.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.931 -23.426 -20.692 1.00 0.00 H new ATOM 1694 N LEU A 108 7.415 -18.846 -18.945 1.00 0.00 N ATOM 1695 CA LEU A 108 6.211 -18.113 -18.569 1.00 0.00 C ATOM 1696 C LEU A 108 5.448 -17.648 -19.805 1.00 0.00 C ATOM 1697 O LEU A 108 5.962 -16.869 -20.608 1.00 0.00 O ATOM 1698 CB LEU A 108 6.573 -16.909 -17.697 1.00 0.00 C ATOM 1699 CG LEU A 108 5.559 -16.533 -16.616 1.00 0.00 C ATOM 1700 CD1 LEU A 108 4.141 -16.632 -17.157 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.729 -17.423 -15.393 1.00 0.00 C ATOM 0 H LEU A 108 7.654 -18.786 -19.935 1.00 0.00 H new ATOM 0 HA LEU A 108 5.570 -18.786 -18.000 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.530 -17.110 -17.215 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.718 -16.046 -18.347 1.00 0.00 H new ATOM 0 HG LEU A 108 5.741 -15.501 -16.317 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.433 -16.361 -16.374 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.026 -15.953 -18.002 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.947 -17.654 -17.484 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.999 -17.141 -14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.574 -18.464 -15.676 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.735 -17.302 -14.992 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.614 -18.142 -13.679 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.633 -19.130 -13.245 1.00 0.00 C ATOM 2064 C HIS A 133 -1.451 -19.182 -14.209 1.00 0.00 C ATOM 2065 O HIS A 133 -1.626 -19.369 -15.413 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.282 -20.511 -13.141 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.406 -21.536 -12.489 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.594 -21.256 -11.411 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.219 -22.848 -12.768 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -0.944 -22.350 -11.055 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.306 -23.330 -11.863 1.00 0.00 N ATOM 0 HA HIS A 133 -2.265 -18.834 -12.263 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.210 -20.426 -12.576 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.548 -20.855 -14.141 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.508 -20.346 -10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -2.699 -23.410 -13.556 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.237 -22.429 -10.242 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.248 -19.013 -13.670 1.00 0.00 N ATOM 2080 CA VAL A 134 0.963 -19.040 -14.482 1.00 0.00 C ATOM 2081 C VAL A 134 1.741 -20.334 -14.266 1.00 0.00 C ATOM 2082 O VAL A 134 1.932 -20.771 -13.132 1.00 0.00 O ATOM 2083 CB VAL A 134 1.880 -17.844 -14.163 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.112 -16.536 -14.284 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.483 -17.991 -12.775 1.00 0.00 C ATOM 0 H VAL A 134 -0.086 -18.856 -12.675 1.00 0.00 H new ATOM 0 HA VAL A 134 0.647 -18.978 -15.523 1.00 0.00 H new ATOM 0 HB VAL A 134 2.694 -17.828 -14.888 1.00 0.00 H new ATOM 0 HG11 VAL A 134 1.775 -15.702 -14.055 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.733 -16.430 -15.300 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.277 -16.538 -13.583 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.128 -17.137 -12.566 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.685 -18.032 -12.034 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.069 -18.909 -12.728 1.00 0.00 H new ATOM 2095 N GLU A 135 2.187 -20.940 -15.361 1.00 0.00 N ATOM 2096 CA GLU A 135 2.944 -22.184 -15.290 1.00 0.00 C ATOM 2097 C GLU A 135 4.092 -22.181 -16.296 1.00 0.00 C ATOM 2098 O GLU A 135 4.166 -21.314 -17.168 1.00 0.00 O ATOM 2099 CB GLU A 135 2.027 -23.381 -15.551 1.00 0.00 C ATOM 2100 CG GLU A 135 1.551 -23.481 -16.991 1.00 0.00 C ATOM 2101 CD GLU A 135 0.244 -24.239 -17.122 1.00 0.00 C ATOM 2102 OE1 GLU A 135 0.155 -25.366 -16.591 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -0.689 -23.705 -17.757 1.00 0.00 O ATOM 0 H GLU A 135 2.037 -20.590 -16.307 1.00 0.00 H new ATOM 0 HA GLU A 135 3.362 -22.267 -14.287 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.556 -24.297 -15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.160 -23.313 -14.894 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.427 -22.478 -17.399 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.316 -23.977 -17.589 1.00 0.00 H new ATOM 2110 N LEU A 136 4.985 -23.155 -16.168 1.00 0.00 N ATOM 2111 CA LEU A 136 6.131 -23.266 -17.065 1.00 0.00 C ATOM 2112 C LEU A 136 5.703 -23.789 -18.432 1.00 0.00 C ATOM 2113 O LEU A 136 5.184 -24.899 -18.549 1.00 0.00 O ATOM 2114 CB LEU A 136 7.189 -24.190 -16.460 1.00 0.00 C ATOM 2115 CG LEU A 136 8.157 -23.544 -15.469 1.00 0.00 C ATOM 2116 CD1 LEU A 136 7.568 -23.548 -14.067 1.00 0.00 C ATOM 2117 CD2 LEU A 136 9.499 -24.263 -15.487 1.00 0.00 C ATOM 0 H LEU A 136 4.938 -23.880 -15.452 1.00 0.00 H new ATOM 0 HA LEU A 136 6.558 -22.272 -17.195 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.680 -25.012 -15.956 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.770 -24.625 -17.273 1.00 0.00 H new ATOM 0 HG LEU A 136 8.318 -22.509 -15.771 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.271 -23.084 -13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.633 -22.988 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.377 -24.575 -13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.175 -23.789 -14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.356 -25.308 -15.211 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.928 -24.207 -16.487 1.00 0.00 H new ATOM 2129 N VAL A 137 5.928 -22.983 -19.465 1.00 0.00 N ATOM 2130 CA VAL A 137 5.570 -23.366 -20.826 1.00 0.00 C ATOM 2131 C VAL A 137 6.732 -24.062 -21.525 1.00 0.00 C ATOM 2132 O VAL A 137 7.876 -23.890 -21.108 1.00 0.00 O ATOM 2133 CB VAL A 137 5.142 -22.143 -21.658 1.00 0.00 C ATOM 2134 CG1 VAL A 137 3.929 -21.470 -21.034 1.00 0.00 C ATOM 2135 CG2 VAL A 137 6.295 -21.161 -21.794 1.00 0.00 C ATOM 0 H VAL A 137 6.356 -22.061 -19.385 1.00 0.00 H new ATOM 0 HA VAL A 137 4.730 -24.057 -20.750 1.00 0.00 H new ATOM 0 HB VAL A 137 4.865 -22.484 -22.656 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.641 -20.608 -21.636 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.101 -22.177 -20.994 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.174 -21.142 -20.024 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.974 -20.303 -22.385 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.605 -20.825 -20.805 1.00 0.00 H new ATOM 0 HG23 VAL A 137 7.133 -21.650 -22.290 1.00 0.00 H new