USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 973 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 33 GLN :FLIP amide:sc= -1.47! C(o=-5.3!,f=-0.54!) USER MOD Set 1.2: A 38 TYR OH : rot 65:sc= 0.961 USER MOD Set 1.3: A 124 TYR OH : rot 100:sc= -0.033 USER MOD Set 2.1: A 34 HIS : no HE2:sc= -0.859 K(o=-1.7,f=-3.4!) USER MOD Set 2.2: A 115 HIS : no HD1:sc= -0.795 X(o=-1.7,f=-1.6) USER MOD Single : A 3 TYR OH : rot 52:sc= -1! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0263) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 178:sc= -0.539 (180deg=-0.553) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5!) USER MOD Single : A 39 ASN : amide:sc= -6.39! C(o=-6.4!,f=-16!) USER MOD Single : A 40 THR OG1 : rot 69:sc= 1.13 USER MOD Single : A 43 THR OG1 : rot -94:sc= 0.885 USER MOD Single : A 44 ASN : amide:sc=-0.00203 X(o=-0.002,f=0.43) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.97 X(o=-2,f=-2) USER MOD Single : A 50 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.44) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.15 F(o=-3.5!,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.1) USER MOD Single : A 61 SER OG : rot 99:sc= 1.55 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.46 K(o=-2.5,f=-4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -2.48 F(o=-9.6!,f=-2.5) USER MOD Single : A 80 ASN : amide:sc= -0.284 K(o=-0.28,f=-3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.804 X(o=-0.8,f=-1.1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.21) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.7!) USER MOD Single : A 117 GLN : amide:sc= -0.074 K(o=-0.074,f=-0.83) USER MOD Single : A 118 ASN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.572 K(o=-0.57,f=-2.7!) USER MOD Single : A 127 ASN : amide:sc= -0.915 K(o=-0.91,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -4.686 6.388 10.919 1.00 0.00 N ATOM 24 CA VAL A 2 -3.660 5.747 11.724 1.00 0.00 C ATOM 25 C VAL A 2 -4.089 4.315 12.046 1.00 0.00 C ATOM 26 O VAL A 2 -5.171 4.094 12.588 1.00 0.00 O ATOM 27 CB VAL A 2 -3.377 6.582 12.975 1.00 0.00 C ATOM 28 CG1 VAL A 2 -2.447 5.836 13.933 1.00 0.00 C ATOM 29 CG2 VAL A 2 -2.801 7.949 12.602 1.00 0.00 C ATOM 0 HA VAL A 2 -2.723 5.688 11.170 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.324 6.747 13.490 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.262 6.451 14.813 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.913 4.899 14.237 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.502 5.625 13.432 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.609 8.523 13.509 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.869 7.814 12.054 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.515 8.486 11.977 1.00 0.00 H new ATOM 39 N TYR A 3 -3.220 3.378 11.697 1.00 0.00 N ATOM 40 CA TYR A 3 -3.496 1.972 11.942 1.00 0.00 C ATOM 41 C TYR A 3 -2.203 1.154 11.964 1.00 0.00 C ATOM 42 O TYR A 3 -1.194 1.566 11.392 1.00 0.00 O ATOM 43 CB TYR A 3 -4.363 1.503 10.772 1.00 0.00 C ATOM 44 CG TYR A 3 -3.575 1.196 9.497 1.00 0.00 C ATOM 45 CD1 TYR A 3 -2.661 0.162 9.483 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.777 1.953 8.362 1.00 0.00 C ATOM 47 CE1 TYR A 3 -1.919 -0.127 8.283 1.00 0.00 C ATOM 48 CE2 TYR A 3 -3.035 1.665 7.162 1.00 0.00 C ATOM 49 CZ TYR A 3 -2.143 0.640 7.182 1.00 0.00 C ATOM 50 OH TYR A 3 -1.442 0.367 6.049 1.00 0.00 O ATOM 0 H TYR A 3 -2.324 3.565 11.246 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.987 1.840 12.906 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.909 0.609 11.073 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.105 2.271 10.552 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.502 -0.430 10.372 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.492 2.762 8.373 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.201 -0.934 8.258 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.184 2.250 6.267 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.533 -0.584 5.829 1.00 0.00 H new ATOM 60 N GLU A 4 -2.274 0.011 12.629 1.00 0.00 N ATOM 61 CA GLU A 4 -1.122 -0.868 12.732 1.00 0.00 C ATOM 62 C GLU A 4 -1.445 -2.240 12.139 1.00 0.00 C ATOM 63 O GLU A 4 -2.543 -2.455 11.626 1.00 0.00 O ATOM 64 CB GLU A 4 -0.657 -0.995 14.185 1.00 0.00 C ATOM 65 CG GLU A 4 -1.684 -1.759 15.023 1.00 0.00 C ATOM 66 CD GLU A 4 -2.298 -0.855 16.095 1.00 0.00 C ATOM 67 OE1 GLU A 4 -1.527 -0.410 16.972 1.00 0.00 O ATOM 68 OE2 GLU A 4 -3.525 -0.630 16.012 1.00 0.00 O ATOM 0 H GLU A 4 -3.112 -0.327 13.102 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.304 -0.430 12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.303 -1.511 14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.501 -0.003 14.609 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.470 -2.148 14.376 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.207 -2.618 15.496 1.00 0.00 H new ATOM 75 N ARG A 5 -0.471 -3.132 12.226 1.00 0.00 N ATOM 76 CA ARG A 5 -0.638 -4.478 11.703 1.00 0.00 C ATOM 77 C ARG A 5 -2.042 -4.999 12.018 1.00 0.00 C ATOM 78 O ARG A 5 -2.837 -5.239 11.110 1.00 0.00 O ATOM 79 CB ARG A 5 0.398 -5.434 12.299 1.00 0.00 C ATOM 80 CG ARG A 5 0.658 -5.111 13.772 1.00 0.00 C ATOM 81 CD ARG A 5 2.149 -4.885 14.029 1.00 0.00 C ATOM 82 NE ARG A 5 2.335 -4.077 15.254 1.00 0.00 N ATOM 83 CZ ARG A 5 3.503 -3.949 15.900 1.00 0.00 C ATOM 84 NH1 ARG A 5 4.595 -4.574 15.439 1.00 0.00 N ATOM 85 NH2 ARG A 5 3.578 -3.195 17.005 1.00 0.00 N ATOM 0 H ARG A 5 0.438 -2.950 12.651 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.496 -4.434 10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.047 -6.462 12.205 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.329 -5.363 11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.097 -4.221 14.057 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.298 -5.929 14.396 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.657 -5.843 14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.600 -4.377 13.177 1.00 0.00 H new ATOM 0 HE ARG A 5 1.524 -3.586 15.631 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.538 -5.147 14.597 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.484 -4.477 15.930 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.747 -2.719 17.355 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.466 -3.098 17.497 1.00 0.00 H new ATOM 99 N CYS A 6 -2.304 -5.158 13.308 1.00 0.00 N ATOM 100 CA CYS A 6 -3.599 -5.645 13.752 1.00 0.00 C ATOM 101 C CYS A 6 -4.686 -4.914 12.963 1.00 0.00 C ATOM 102 O CYS A 6 -5.209 -5.444 11.985 1.00 0.00 O ATOM 103 CB CYS A 6 -3.778 -5.475 15.263 1.00 0.00 C ATOM 104 SG CYS A 6 -2.608 -6.439 16.289 1.00 0.00 S ATOM 0 H CYS A 6 -1.642 -4.958 14.058 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.673 -6.716 13.560 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.671 -4.419 15.511 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.795 -5.763 15.529 1.00 0.00 H new ATOM 109 N GLU A 7 -4.993 -3.707 13.417 1.00 0.00 N ATOM 110 CA GLU A 7 -6.008 -2.898 12.766 1.00 0.00 C ATOM 111 C GLU A 7 -6.026 -3.178 11.262 1.00 0.00 C ATOM 112 O GLU A 7 -7.005 -3.704 10.735 1.00 0.00 O ATOM 113 CB GLU A 7 -5.786 -1.410 13.043 1.00 0.00 C ATOM 114 CG GLU A 7 -6.767 -0.896 14.099 1.00 0.00 C ATOM 115 CD GLU A 7 -8.160 -0.693 13.499 1.00 0.00 C ATOM 116 OE1 GLU A 7 -8.869 -1.712 13.351 1.00 0.00 O ATOM 117 OE2 GLU A 7 -8.484 0.477 13.200 1.00 0.00 O ATOM 0 H GLU A 7 -4.556 -3.270 14.229 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.980 -3.169 13.179 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.763 -1.248 13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.909 -0.842 12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.822 -1.605 14.925 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.404 0.045 14.511 1.00 0.00 H new ATOM 124 N PHE A 8 -4.929 -2.814 10.611 1.00 0.00 N ATOM 125 CA PHE A 8 -4.806 -3.020 9.179 1.00 0.00 C ATOM 126 C PHE A 8 -5.290 -4.416 8.781 1.00 0.00 C ATOM 127 O PHE A 8 -6.166 -4.555 7.930 1.00 0.00 O ATOM 128 CB PHE A 8 -3.321 -2.889 8.834 1.00 0.00 C ATOM 129 CG PHE A 8 -3.051 -2.510 7.377 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.793 -1.539 6.778 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.070 -3.143 6.679 1.00 0.00 C ATOM 132 CE1 PHE A 8 -3.542 -1.188 5.426 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.819 -2.791 5.327 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.561 -1.820 4.728 1.00 0.00 C ATOM 0 H PHE A 8 -4.118 -2.378 11.050 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.414 -2.289 8.645 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.873 -2.137 9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.824 -3.834 9.051 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.572 -1.036 7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.482 -3.914 7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.131 -0.418 4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.039 -3.294 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.371 -1.552 3.699 1.00 0.00 H new ATOM 144 N ALA A 9 -4.696 -5.416 9.418 1.00 0.00 N ATOM 145 CA ALA A 9 -5.055 -6.797 9.141 1.00 0.00 C ATOM 146 C ALA A 9 -6.576 -6.946 9.207 1.00 0.00 C ATOM 147 O ALA A 9 -7.192 -7.471 8.281 1.00 0.00 O ATOM 148 CB ALA A 9 -4.335 -7.718 10.127 1.00 0.00 C ATOM 0 H ALA A 9 -3.970 -5.297 10.124 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.739 -7.083 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.604 -8.754 9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.257 -7.594 10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.630 -7.463 11.145 1.00 0.00 H new ATOM 154 N ARG A 10 -7.138 -6.476 10.311 1.00 0.00 N ATOM 155 CA ARG A 10 -8.576 -6.552 10.510 1.00 0.00 C ATOM 156 C ARG A 10 -9.308 -5.897 9.338 1.00 0.00 C ATOM 157 O ARG A 10 -10.124 -6.537 8.676 1.00 0.00 O ATOM 158 CB ARG A 10 -8.988 -5.861 11.811 1.00 0.00 C ATOM 159 CG ARG A 10 -10.473 -6.087 12.104 1.00 0.00 C ATOM 160 CD ARG A 10 -10.707 -6.323 13.598 1.00 0.00 C ATOM 161 NE ARG A 10 -11.892 -5.562 14.051 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.109 -5.199 15.323 1.00 0.00 C ATOM 163 NH1 ARG A 10 -11.224 -5.525 16.274 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.212 -4.508 15.642 1.00 0.00 N ATOM 0 H ARG A 10 -6.624 -6.041 11.077 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.849 -7.606 10.570 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.388 -6.244 12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.786 -4.792 11.739 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.048 -5.222 11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.833 -6.945 11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.853 -7.386 13.788 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.828 -6.015 14.165 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.587 -5.297 13.353 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.384 -6.050 16.031 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.390 -5.248 17.242 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.885 -4.259 14.917 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.378 -4.231 16.610 1.00 0.00 H new ATOM 178 N THR A 11 -8.991 -4.629 9.116 1.00 0.00 N ATOM 179 CA THR A 11 -9.609 -3.881 8.035 1.00 0.00 C ATOM 180 C THR A 11 -9.428 -4.617 6.706 1.00 0.00 C ATOM 181 O THR A 11 -10.402 -4.885 6.003 1.00 0.00 O ATOM 182 CB THR A 11 -9.014 -2.472 8.036 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.595 -1.851 9.179 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.510 -1.627 6.860 1.00 0.00 C ATOM 0 H THR A 11 -8.314 -4.101 9.667 1.00 0.00 H new ATOM 0 HA THR A 11 -10.686 -3.795 8.178 1.00 0.00 H new ATOM 0 HB THR A 11 -7.926 -2.537 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.262 -0.933 9.257 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.058 -0.636 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.231 -2.109 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.595 -1.533 6.911 1.00 0.00 H new ATOM 192 N LEU A 12 -8.176 -4.923 6.401 1.00 0.00 N ATOM 193 CA LEU A 12 -7.854 -5.622 5.169 1.00 0.00 C ATOM 194 C LEU A 12 -8.797 -6.816 5.004 1.00 0.00 C ATOM 195 O LEU A 12 -9.423 -6.978 3.958 1.00 0.00 O ATOM 196 CB LEU A 12 -6.372 -5.999 5.137 1.00 0.00 C ATOM 197 CG LEU A 12 -5.552 -5.404 3.990 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.791 -4.159 4.448 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.621 -6.453 3.380 1.00 0.00 C ATOM 0 H LEU A 12 -7.371 -4.699 6.987 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.011 -4.970 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.919 -5.691 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.295 -7.085 5.087 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.240 -5.090 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.217 -3.756 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.499 -3.408 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.114 -4.425 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.050 -6.004 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.937 -6.821 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.212 -7.283 2.993 1.00 0.00 H new ATOM 211 N LYS A 13 -8.867 -7.622 6.054 1.00 0.00 N ATOM 212 CA LYS A 13 -9.722 -8.796 6.039 1.00 0.00 C ATOM 213 C LYS A 13 -11.185 -8.356 5.977 1.00 0.00 C ATOM 214 O LYS A 13 -12.029 -9.067 5.434 1.00 0.00 O ATOM 215 CB LYS A 13 -9.403 -9.706 7.228 1.00 0.00 C ATOM 216 CG LYS A 13 -9.632 -11.176 6.870 1.00 0.00 C ATOM 217 CD LYS A 13 -9.637 -12.051 8.125 1.00 0.00 C ATOM 218 CE LYS A 13 -9.747 -13.533 7.759 1.00 0.00 C ATOM 219 NZ LYS A 13 -10.286 -14.309 8.898 1.00 0.00 N ATOM 0 H LYS A 13 -8.346 -7.485 6.920 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.531 -9.395 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.367 -9.560 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.029 -9.433 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.581 -11.282 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.851 -11.514 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.724 -11.880 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.471 -11.768 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.395 -13.652 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.766 -13.919 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.402 -15.303 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.627 -14.251 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.208 -13.919 9.178 1.00 0.00 H new ATOM 233 N ARG A 14 -11.442 -7.185 6.541 1.00 0.00 N ATOM 234 CA ARG A 14 -12.790 -6.641 6.557 1.00 0.00 C ATOM 235 C ARG A 14 -13.156 -6.090 5.177 1.00 0.00 C ATOM 236 O ARG A 14 -14.334 -6.006 4.830 1.00 0.00 O ATOM 237 CB ARG A 14 -12.921 -5.525 7.595 1.00 0.00 C ATOM 238 CG ARG A 14 -14.386 -5.123 7.787 1.00 0.00 C ATOM 239 CD ARG A 14 -14.672 -4.779 9.250 1.00 0.00 C ATOM 240 NE ARG A 14 -16.086 -4.371 9.406 1.00 0.00 N ATOM 241 CZ ARG A 14 -17.110 -5.231 9.496 1.00 0.00 C ATOM 242 NH1 ARG A 14 -16.884 -6.551 9.446 1.00 0.00 N ATOM 243 NH2 ARG A 14 -18.361 -4.771 9.636 1.00 0.00 N ATOM 0 H ARG A 14 -10.740 -6.597 6.990 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.471 -7.450 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.504 -5.857 8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.341 -4.658 7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.617 -4.265 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -15.036 -5.938 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.462 -5.641 9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.014 -3.974 9.578 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.294 -3.373 9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.932 -6.902 9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.664 -7.205 9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.534 -3.766 9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.140 -5.425 9.704 1.00 0.00 H new ATOM 257 N ASN A 15 -12.125 -5.729 4.427 1.00 0.00 N ATOM 258 CA ASN A 15 -12.324 -5.189 3.093 1.00 0.00 C ATOM 259 C ASN A 15 -12.340 -6.336 2.080 1.00 0.00 C ATOM 260 O ASN A 15 -13.136 -6.329 1.142 1.00 0.00 O ATOM 261 CB ASN A 15 -11.189 -4.237 2.710 1.00 0.00 C ATOM 262 CG ASN A 15 -11.729 -3.008 1.975 1.00 0.00 C ATOM 263 OD1 ASN A 15 -11.555 -2.841 0.779 1.00 0.00 O ATOM 264 ND2 ASN A 15 -12.393 -2.160 2.756 1.00 0.00 N ATOM 0 H ASN A 15 -11.150 -5.800 4.718 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.269 -4.646 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.654 -3.923 3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.471 -4.758 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.793 -1.309 2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.502 -2.361 3.750 1.00 0.00 H new ATOM 271 N GLY A 16 -11.453 -7.294 2.304 1.00 0.00 N ATOM 272 CA GLY A 16 -11.356 -8.445 1.423 1.00 0.00 C ATOM 273 C GLY A 16 -10.028 -8.445 0.663 1.00 0.00 C ATOM 274 O GLY A 16 -10.000 -8.670 -0.545 1.00 0.00 O ATOM 0 H GLY A 16 -10.795 -7.297 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.445 -9.362 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.184 -8.436 0.715 1.00 0.00 H new ATOM 278 N MET A 17 -8.960 -8.187 1.405 1.00 0.00 N ATOM 279 CA MET A 17 -7.632 -8.155 0.816 1.00 0.00 C ATOM 280 C MET A 17 -6.697 -9.142 1.516 1.00 0.00 C ATOM 281 O MET A 17 -5.875 -9.789 0.868 1.00 0.00 O ATOM 282 CB MET A 17 -7.058 -6.740 0.930 1.00 0.00 C ATOM 283 CG MET A 17 -5.670 -6.659 0.292 1.00 0.00 C ATOM 284 SD MET A 17 -5.721 -7.312 -1.368 1.00 0.00 S ATOM 285 CE MET A 17 -6.715 -6.060 -2.164 1.00 0.00 C ATOM 0 H MET A 17 -8.988 -7.999 2.407 1.00 0.00 H new ATOM 0 HA MET A 17 -7.713 -8.442 -0.232 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.728 -6.031 0.443 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.997 -6.452 1.979 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.329 -5.624 0.274 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.953 -7.220 0.890 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.817 -6.295 -3.223 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.702 -6.031 -1.702 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.234 -5.088 -2.053 1.00 0.00 H new ATOM 295 N ALA A 18 -6.854 -9.228 2.828 1.00 0.00 N ATOM 296 CA ALA A 18 -6.034 -10.126 3.623 1.00 0.00 C ATOM 297 C ALA A 18 -6.053 -11.520 2.991 1.00 0.00 C ATOM 298 O ALA A 18 -7.075 -12.204 3.019 1.00 0.00 O ATOM 299 CB ALA A 18 -6.538 -10.135 5.068 1.00 0.00 C ATOM 0 H ALA A 18 -7.537 -8.690 3.361 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.999 -9.785 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.922 -10.809 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.478 -9.128 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.574 -10.475 5.090 1.00 0.00 H new ATOM 305 N GLY A 19 -4.910 -11.899 2.437 1.00 0.00 N ATOM 306 CA GLY A 19 -4.783 -13.198 1.800 1.00 0.00 C ATOM 307 C GLY A 19 -5.295 -13.155 0.359 1.00 0.00 C ATOM 308 O GLY A 19 -5.834 -14.141 -0.142 1.00 0.00 O ATOM 0 H GLY A 19 -4.064 -11.329 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.739 -13.511 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.344 -13.941 2.367 1.00 0.00 H new ATOM 312 N TYR A 20 -5.108 -12.002 -0.267 1.00 0.00 N ATOM 313 CA TYR A 20 -5.545 -11.817 -1.641 1.00 0.00 C ATOM 314 C TYR A 20 -5.070 -12.970 -2.527 1.00 0.00 C ATOM 315 O TYR A 20 -4.402 -13.888 -2.052 1.00 0.00 O ATOM 316 CB TYR A 20 -4.890 -10.520 -2.119 1.00 0.00 C ATOM 317 CG TYR A 20 -5.561 -9.901 -3.348 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.868 -9.462 -3.273 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.861 -9.782 -4.531 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.499 -8.879 -4.428 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.492 -9.200 -5.687 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.780 -8.778 -5.579 1.00 0.00 C ATOM 323 OH TYR A 20 -7.377 -8.228 -6.670 1.00 0.00 O ATOM 0 H TYR A 20 -4.660 -11.187 0.152 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.633 -11.782 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.906 -9.795 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.843 -10.717 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.417 -9.556 -2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.839 -10.126 -4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.520 -8.530 -4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.955 -9.101 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.745 -8.219 -7.419 1.00 0.00 H new ATOM 333 N TYR A 21 -5.432 -12.886 -3.799 1.00 0.00 N ATOM 334 CA TYR A 21 -5.052 -13.912 -4.756 1.00 0.00 C ATOM 335 C TYR A 21 -3.650 -14.445 -4.458 1.00 0.00 C ATOM 336 O TYR A 21 -3.447 -15.656 -4.377 1.00 0.00 O ATOM 337 CB TYR A 21 -5.046 -13.228 -6.125 1.00 0.00 C ATOM 338 CG TYR A 21 -6.186 -13.667 -7.044 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.487 -13.317 -6.745 1.00 0.00 C ATOM 340 CD2 TYR A 21 -5.915 -14.414 -8.173 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.561 -13.730 -7.611 1.00 0.00 C ATOM 342 CE2 TYR A 21 -6.989 -14.827 -9.039 1.00 0.00 C ATOM 343 CZ TYR A 21 -8.260 -14.464 -8.715 1.00 0.00 C ATOM 344 OH TYR A 21 -9.274 -14.855 -9.532 1.00 0.00 O ATOM 0 H TYR A 21 -5.985 -12.123 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.742 -14.754 -4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.104 -12.149 -5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.096 -13.433 -6.618 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.700 -12.733 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.897 -14.689 -8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.583 -13.462 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.790 -15.411 -9.925 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.910 -15.371 -10.281 1.00 0.00 H new ATOM 354 N GLY A 22 -2.717 -13.516 -4.304 1.00 0.00 N ATOM 355 CA GLY A 22 -1.340 -13.878 -4.017 1.00 0.00 C ATOM 356 C GLY A 22 -0.857 -13.218 -2.723 1.00 0.00 C ATOM 357 O GLY A 22 -0.485 -13.905 -1.773 1.00 0.00 O ATOM 0 H GLY A 22 -2.889 -12.513 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.256 -14.961 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.700 -13.574 -4.845 1.00 0.00 H new ATOM 361 N VAL A 23 -0.880 -11.893 -2.729 1.00 0.00 N ATOM 362 CA VAL A 23 -0.449 -11.133 -1.569 1.00 0.00 C ATOM 363 C VAL A 23 -1.133 -11.688 -0.317 1.00 0.00 C ATOM 364 O VAL A 23 -2.360 -11.716 -0.238 1.00 0.00 O ATOM 365 CB VAL A 23 -0.721 -9.644 -1.788 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.015 -8.794 -0.729 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.313 -9.213 -3.199 1.00 0.00 C ATOM 0 H VAL A 23 -1.190 -11.327 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 23 0.626 -11.235 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.794 -9.482 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.226 -7.740 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.376 -9.072 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.060 -8.964 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.517 -8.150 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.752 -9.398 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.883 -9.783 -3.933 1.00 0.00 H new ATOM 377 N SER A 24 -0.310 -12.116 0.628 1.00 0.00 N ATOM 378 CA SER A 24 -0.820 -12.669 1.871 1.00 0.00 C ATOM 379 C SER A 24 -0.990 -11.556 2.908 1.00 0.00 C ATOM 380 O SER A 24 -0.225 -10.593 2.921 1.00 0.00 O ATOM 381 CB SER A 24 0.107 -13.760 2.410 1.00 0.00 C ATOM 382 OG SER A 24 -0.488 -14.482 3.485 1.00 0.00 O ATOM 0 H SER A 24 0.707 -12.091 0.558 1.00 0.00 H new ATOM 0 HA SER A 24 -1.791 -13.122 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.360 -14.451 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.040 -13.309 2.748 1.00 0.00 H new ATOM 0 HG SER A 24 0.134 -15.170 3.800 1.00 0.00 H new ATOM 388 N LEU A 25 -1.997 -11.725 3.752 1.00 0.00 N ATOM 389 CA LEU A 25 -2.276 -10.747 4.790 1.00 0.00 C ATOM 390 C LEU A 25 -0.970 -10.363 5.487 1.00 0.00 C ATOM 391 O LEU A 25 -0.707 -9.182 5.710 1.00 0.00 O ATOM 392 CB LEU A 25 -3.351 -11.272 5.744 1.00 0.00 C ATOM 393 CG LEU A 25 -3.501 -10.517 7.065 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.753 -9.027 6.820 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.590 -11.146 7.937 1.00 0.00 C ATOM 0 H LEU A 25 -2.630 -12.525 3.738 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.685 -9.835 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.310 -11.252 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.132 -12.316 5.968 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.562 -10.600 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.856 -8.513 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.915 -8.602 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.668 -8.903 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.676 -10.589 8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.542 -11.116 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.329 -12.182 8.155 1.00 0.00 H new ATOM 407 N ALA A 26 -0.187 -11.381 5.811 1.00 0.00 N ATOM 408 CA ALA A 26 1.086 -11.163 6.478 1.00 0.00 C ATOM 409 C ALA A 26 1.977 -10.290 5.593 1.00 0.00 C ATOM 410 O ALA A 26 2.675 -9.408 6.089 1.00 0.00 O ATOM 411 CB ALA A 26 1.728 -12.514 6.803 1.00 0.00 C ATOM 0 H ALA A 26 -0.409 -12.359 5.624 1.00 0.00 H new ATOM 0 HA ALA A 26 0.942 -10.635 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.683 -12.352 7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.067 -13.083 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.892 -13.070 5.880 1.00 0.00 H new ATOM 417 N ASP A 27 1.926 -10.568 4.299 1.00 0.00 N ATOM 418 CA ASP A 27 2.720 -9.818 3.341 1.00 0.00 C ATOM 419 C ASP A 27 2.236 -8.367 3.307 1.00 0.00 C ATOM 420 O ASP A 27 3.040 -7.443 3.188 1.00 0.00 O ATOM 421 CB ASP A 27 2.575 -10.397 1.933 1.00 0.00 C ATOM 422 CG ASP A 27 2.983 -11.866 1.792 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.124 -12.519 2.848 1.00 0.00 O ATOM 424 OD2 ASP A 27 3.147 -12.300 0.631 1.00 0.00 O ATOM 0 H ASP A 27 1.347 -11.302 3.891 1.00 0.00 H new ATOM 0 HA ASP A 27 3.764 -9.876 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.537 -10.292 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.177 -9.801 1.248 1.00 0.00 H new ATOM 429 N TRP A 28 0.924 -8.212 3.414 1.00 0.00 N ATOM 430 CA TRP A 28 0.324 -6.889 3.397 1.00 0.00 C ATOM 431 C TRP A 28 0.830 -6.124 4.622 1.00 0.00 C ATOM 432 O TRP A 28 1.430 -5.059 4.488 1.00 0.00 O ATOM 433 CB TRP A 28 -1.202 -6.981 3.338 1.00 0.00 C ATOM 434 CG TRP A 28 -1.755 -7.276 1.942 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.547 -8.290 1.566 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.523 -6.505 0.745 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.841 -8.228 0.220 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.199 -7.109 -0.296 1.00 0.00 C ATOM 439 CE3 TRP A 28 -0.766 -5.336 0.547 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.186 -6.615 -1.606 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -0.763 -4.857 -0.767 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.439 -5.453 -1.827 1.00 0.00 C ATOM 0 H TRP A 28 0.260 -8.980 3.513 1.00 0.00 H new ATOM 0 HA TRP A 28 0.618 -6.343 2.500 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.535 -7.762 4.022 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.626 -6.042 3.695 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.909 -9.058 2.233 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.423 -8.884 -0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.229 -4.847 1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.724 -7.105 -2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.196 -3.961 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.387 -5.021 -2.815 1.00 0.00 H new ATOM 453 N VAL A 29 0.570 -6.699 5.787 1.00 0.00 N ATOM 454 CA VAL A 29 0.992 -6.084 7.035 1.00 0.00 C ATOM 455 C VAL A 29 2.486 -5.765 6.961 1.00 0.00 C ATOM 456 O VAL A 29 2.881 -4.603 7.033 1.00 0.00 O ATOM 457 CB VAL A 29 0.632 -6.991 8.213 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.327 -6.529 9.495 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.884 -7.061 8.407 1.00 0.00 C ATOM 0 H VAL A 29 0.073 -7.583 5.893 1.00 0.00 H new ATOM 0 HA VAL A 29 0.466 -5.143 7.194 1.00 0.00 H new ATOM 0 HB VAL A 29 0.988 -7.995 7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.053 -7.191 10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.407 -6.555 9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.016 -5.511 9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.113 -7.712 9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.272 -6.062 8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.348 -7.459 7.505 1.00 0.00 H new ATOM 469 N CYS A 30 3.277 -6.819 6.820 1.00 0.00 N ATOM 470 CA CYS A 30 4.719 -6.665 6.736 1.00 0.00 C ATOM 471 C CYS A 30 5.029 -5.583 5.700 1.00 0.00 C ATOM 472 O CYS A 30 5.858 -4.707 5.939 1.00 0.00 O ATOM 473 CB CYS A 30 5.411 -7.989 6.403 1.00 0.00 C ATOM 474 SG CYS A 30 5.581 -8.337 4.613 1.00 0.00 S ATOM 0 H CYS A 30 2.946 -7.782 6.762 1.00 0.00 H new ATOM 0 HA CYS A 30 5.111 -6.359 7.706 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.403 -7.988 6.855 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.851 -8.802 6.865 1.00 0.00 H new ATOM 479 N LEU A 31 4.345 -5.680 4.569 1.00 0.00 N ATOM 480 CA LEU A 31 4.536 -4.720 3.496 1.00 0.00 C ATOM 481 C LEU A 31 4.301 -3.306 4.032 1.00 0.00 C ATOM 482 O LEU A 31 5.161 -2.437 3.898 1.00 0.00 O ATOM 483 CB LEU A 31 3.655 -5.075 2.296 1.00 0.00 C ATOM 484 CG LEU A 31 3.543 -4.007 1.205 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.899 -3.760 0.540 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.464 -4.376 0.186 1.00 0.00 C ATOM 0 H LEU A 31 3.658 -6.408 4.373 1.00 0.00 H new ATOM 0 HA LEU A 31 5.563 -4.757 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.042 -5.988 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.653 -5.300 2.661 1.00 0.00 H new ATOM 0 HG LEU A 31 3.238 -3.071 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.792 -2.997 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.615 -3.421 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.257 -4.685 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.405 -3.601 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.715 -5.328 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.502 -4.462 0.690 1.00 0.00 H new ATOM 498 N ALA A 32 3.133 -3.121 4.630 1.00 0.00 N ATOM 499 CA ALA A 32 2.775 -1.827 5.188 1.00 0.00 C ATOM 500 C ALA A 32 3.699 -1.512 6.366 1.00 0.00 C ATOM 501 O ALA A 32 3.824 -0.357 6.769 1.00 0.00 O ATOM 502 CB ALA A 32 1.299 -1.837 5.591 1.00 0.00 C ATOM 0 H ALA A 32 2.423 -3.845 4.740 1.00 0.00 H new ATOM 0 HA ALA A 32 2.906 -1.039 4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.030 -0.867 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.684 -2.037 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.131 -2.614 6.337 1.00 0.00 H new ATOM 508 N GLN A 33 4.324 -2.559 6.884 1.00 0.00 N ATOM 509 CA GLN A 33 5.234 -2.408 8.007 1.00 0.00 C ATOM 510 C GLN A 33 6.533 -1.743 7.552 1.00 0.00 C ATOM 511 O GLN A 33 6.923 -0.705 8.084 1.00 0.00 O ATOM 512 CB GLN A 33 5.511 -3.757 8.673 1.00 0.00 C ATOM 513 CG GLN A 33 6.020 -3.568 10.103 1.00 0.00 C ATOM 514 CD GLN A 33 4.877 -3.188 11.047 1.00 0.00 C ATOM 515 OE1 GLN A 33 5.276 -2.584 12.163 1.00 0.00 O flip ATOM 516 NE2 GLN A 33 3.712 -3.426 10.778 1.00 0.00 N flip ATOM 0 H GLN A 33 4.218 -3.516 6.547 1.00 0.00 H new ATOM 0 HA GLN A 33 4.761 -1.765 8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.600 -4.355 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.248 -4.309 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.492 -4.488 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.785 -2.791 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.476 -3.893 9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.973 -3.158 11.428 1.00 0.00 H new ATOM 525 N HIS A 34 7.169 -2.368 6.571 1.00 0.00 N ATOM 526 CA HIS A 34 8.417 -1.850 6.038 1.00 0.00 C ATOM 527 C HIS A 34 8.158 -0.522 5.322 1.00 0.00 C ATOM 528 O HIS A 34 9.081 0.263 5.108 1.00 0.00 O ATOM 529 CB HIS A 34 9.096 -2.885 5.140 1.00 0.00 C ATOM 530 CG HIS A 34 10.592 -2.715 5.028 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.193 -1.485 4.824 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.601 -3.630 5.094 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.505 -1.663 4.771 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.756 -2.994 4.938 1.00 0.00 N ATOM 0 H HIS A 34 6.843 -3.229 6.132 1.00 0.00 H new ATOM 0 HA HIS A 34 9.111 -1.653 6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.882 -3.882 5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.659 -2.828 4.143 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.708 -0.593 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.481 -4.692 5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.245 -0.891 4.622 1.00 0.00 H new ATOM 543 N GLU A 35 6.897 -0.313 4.971 1.00 0.00 N ATOM 544 CA GLU A 35 6.505 0.905 4.284 1.00 0.00 C ATOM 545 C GLU A 35 6.389 2.063 5.278 1.00 0.00 C ATOM 546 O GLU A 35 7.170 3.012 5.225 1.00 0.00 O ATOM 547 CB GLU A 35 5.194 0.706 3.520 1.00 0.00 C ATOM 548 CG GLU A 35 5.433 -0.040 2.206 1.00 0.00 C ATOM 549 CD GLU A 35 6.314 0.780 1.262 1.00 0.00 C ATOM 550 OE1 GLU A 35 5.795 1.788 0.736 1.00 0.00 O ATOM 551 OE2 GLU A 35 7.485 0.381 1.087 1.00 0.00 O ATOM 0 H GLU A 35 6.135 -0.967 5.150 1.00 0.00 H new ATOM 0 HA GLU A 35 7.278 1.153 3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.491 0.147 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.738 1.674 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.907 -1.000 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.478 -0.252 1.725 1.00 0.00 H new ATOM 558 N SER A 36 5.409 1.945 6.162 1.00 0.00 N ATOM 559 CA SER A 36 5.182 2.969 7.167 1.00 0.00 C ATOM 560 C SER A 36 4.389 2.387 8.338 1.00 0.00 C ATOM 561 O SER A 36 4.925 2.215 9.432 1.00 0.00 O ATOM 562 CB SER A 36 4.444 4.171 6.572 1.00 0.00 C ATOM 563 OG SER A 36 5.090 5.403 6.886 1.00 0.00 O ATOM 0 H SER A 36 4.764 1.156 6.203 1.00 0.00 H new ATOM 0 HA SER A 36 6.151 3.314 7.528 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.383 4.059 5.489 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.421 4.191 6.949 1.00 0.00 H new ATOM 0 HG SER A 36 4.590 6.146 6.487 1.00 0.00 H new ATOM 569 N ASN A 37 3.124 2.099 8.070 1.00 0.00 N ATOM 570 CA ASN A 37 2.251 1.539 9.087 1.00 0.00 C ATOM 571 C ASN A 37 2.008 2.585 10.177 1.00 0.00 C ATOM 572 O ASN A 37 2.632 3.646 10.174 1.00 0.00 O ATOM 573 CB ASN A 37 2.887 0.311 9.744 1.00 0.00 C ATOM 574 CG ASN A 37 1.816 -0.663 10.238 1.00 0.00 C ATOM 575 OD1 ASN A 37 1.650 -0.895 11.425 1.00 0.00 O ATOM 576 ND2 ASN A 37 1.100 -1.218 9.265 1.00 0.00 N ATOM 0 H ASN A 37 2.682 2.243 7.162 1.00 0.00 H new ATOM 0 HA ASN A 37 1.317 1.248 8.606 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.539 -0.192 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.512 0.624 10.580 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.360 -1.882 9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.291 -0.980 8.292 1.00 0.00 H new ATOM 583 N TYR A 38 1.100 2.252 11.082 1.00 0.00 N ATOM 584 CA TYR A 38 0.767 3.149 12.175 1.00 0.00 C ATOM 585 C TYR A 38 -0.027 4.355 11.671 1.00 0.00 C ATOM 586 O TYR A 38 -1.146 4.599 12.120 1.00 0.00 O ATOM 587 CB TYR A 38 2.102 3.633 12.744 1.00 0.00 C ATOM 588 CG TYR A 38 3.183 2.552 12.800 1.00 0.00 C ATOM 589 CD1 TYR A 38 3.021 1.455 13.621 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.321 2.675 12.029 1.00 0.00 C ATOM 591 CE1 TYR A 38 4.039 0.438 13.673 1.00 0.00 C ATOM 592 CE2 TYR A 38 5.339 1.658 12.082 1.00 0.00 C ATOM 593 CZ TYR A 38 5.148 0.590 12.901 1.00 0.00 C ATOM 594 OH TYR A 38 6.109 -0.371 12.951 1.00 0.00 O ATOM 0 H TYR A 38 0.584 1.372 11.081 1.00 0.00 H new ATOM 0 HA TYR A 38 0.156 2.638 12.919 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.464 4.463 12.138 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.938 4.020 13.749 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.131 1.359 14.225 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.448 3.534 11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.924 -0.426 14.311 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.235 1.742 11.484 1.00 0.00 H new ATOM 0 HH TYR A 38 5.748 -1.213 12.605 1.00 0.00 H new ATOM 604 N ASN A 39 0.584 5.081 10.745 1.00 0.00 N ATOM 605 CA ASN A 39 -0.052 6.256 10.175 1.00 0.00 C ATOM 606 C ASN A 39 0.110 6.231 8.654 1.00 0.00 C ATOM 607 O ASN A 39 1.091 5.695 8.139 1.00 0.00 O ATOM 608 CB ASN A 39 0.595 7.541 10.698 1.00 0.00 C ATOM 609 CG ASN A 39 0.021 8.771 9.992 1.00 0.00 C ATOM 610 OD1 ASN A 39 0.148 8.944 8.791 1.00 0.00 O ATOM 611 ND2 ASN A 39 -0.615 9.612 10.802 1.00 0.00 N ATOM 0 H ASN A 39 1.513 4.877 10.376 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.104 6.241 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.430 7.624 11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.673 7.499 10.543 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.033 10.463 10.427 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.684 9.406 11.799 1.00 0.00 H new ATOM 618 N THR A 40 -0.866 6.818 7.977 1.00 0.00 N ATOM 619 CA THR A 40 -0.845 6.869 6.525 1.00 0.00 C ATOM 620 C THR A 40 -0.625 8.305 6.046 1.00 0.00 C ATOM 621 O THR A 40 -1.519 8.911 5.457 1.00 0.00 O ATOM 622 CB THR A 40 -2.146 6.250 6.011 1.00 0.00 C ATOM 623 OG1 THR A 40 -3.119 7.270 6.210 1.00 0.00 O ATOM 624 CG2 THR A 40 -2.631 5.094 6.888 1.00 0.00 C ATOM 0 H THR A 40 -1.677 7.263 8.407 1.00 0.00 H new ATOM 0 HA THR A 40 -0.013 6.293 6.121 1.00 0.00 H new ATOM 0 HB THR A 40 -2.000 5.895 4.991 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.944 8.013 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.557 4.691 6.479 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.873 4.311 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.809 5.455 7.901 1.00 0.00 H new ATOM 632 N ARG A 41 0.570 8.808 6.316 1.00 0.00 N ATOM 633 CA ARG A 41 0.920 10.162 5.919 1.00 0.00 C ATOM 634 C ARG A 41 2.009 10.136 4.845 1.00 0.00 C ATOM 635 O ARG A 41 2.418 11.184 4.345 1.00 0.00 O ATOM 636 CB ARG A 41 1.413 10.977 7.117 1.00 0.00 C ATOM 637 CG ARG A 41 1.573 12.453 6.747 1.00 0.00 C ATOM 638 CD ARG A 41 1.743 13.317 7.999 1.00 0.00 C ATOM 639 NE ARG A 41 0.427 13.546 8.636 1.00 0.00 N ATOM 640 CZ ARG A 41 0.268 13.956 9.902 1.00 0.00 C ATOM 641 NH1 ARG A 41 1.339 14.183 10.673 1.00 0.00 N ATOM 642 NH2 ARG A 41 -0.965 14.139 10.397 1.00 0.00 N ATOM 0 H ARG A 41 1.309 8.303 6.805 1.00 0.00 H new ATOM 0 HA ARG A 41 0.022 10.633 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.708 10.880 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.367 10.580 7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.438 12.577 6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.701 12.788 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.416 12.826 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.199 14.271 7.734 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.410 13.382 8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.277 14.044 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.217 14.495 11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.781 13.966 9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.087 14.451 11.360 1.00 0.00 H new ATOM 656 N ALA A 42 2.448 8.929 4.522 1.00 0.00 N ATOM 657 CA ALA A 42 3.482 8.753 3.517 1.00 0.00 C ATOM 658 C ALA A 42 3.230 9.719 2.358 1.00 0.00 C ATOM 659 O ALA A 42 2.358 9.479 1.524 1.00 0.00 O ATOM 660 CB ALA A 42 3.511 7.293 3.063 1.00 0.00 C ATOM 0 H ALA A 42 2.106 8.063 4.939 1.00 0.00 H new ATOM 0 HA ALA A 42 4.463 8.984 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.287 7.162 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.723 6.650 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.544 7.025 2.638 1.00 0.00 H new ATOM 666 N THR A 43 4.009 10.791 2.342 1.00 0.00 N ATOM 667 CA THR A 43 3.881 11.793 1.298 1.00 0.00 C ATOM 668 C THR A 43 5.247 12.399 0.969 1.00 0.00 C ATOM 669 O THR A 43 5.859 13.054 1.812 1.00 0.00 O ATOM 670 CB THR A 43 2.853 12.828 1.761 1.00 0.00 C ATOM 671 OG1 THR A 43 3.195 13.073 3.122 1.00 0.00 O ATOM 672 CG2 THR A 43 1.435 12.255 1.830 1.00 0.00 C ATOM 0 H THR A 43 4.731 10.987 3.035 1.00 0.00 H new ATOM 0 HA THR A 43 3.524 11.351 0.367 1.00 0.00 H new ATOM 0 HB THR A 43 2.867 13.681 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.663 12.490 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.745 13.030 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.136 11.904 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.413 11.422 2.533 1.00 0.00 H new ATOM 680 N ASN A 44 5.685 12.159 -0.258 1.00 0.00 N ATOM 681 CA ASN A 44 6.968 12.672 -0.708 1.00 0.00 C ATOM 682 C ASN A 44 6.889 12.989 -2.203 1.00 0.00 C ATOM 683 O ASN A 44 7.048 12.100 -3.039 1.00 0.00 O ATOM 684 CB ASN A 44 8.078 11.639 -0.502 1.00 0.00 C ATOM 685 CG ASN A 44 9.095 12.127 0.532 1.00 0.00 C ATOM 686 OD1 ASN A 44 8.766 12.448 1.661 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.346 12.163 0.084 1.00 0.00 N ATOM 0 H ASN A 44 5.174 11.616 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 44 7.196 13.566 -0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.644 10.694 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.581 11.446 -1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.099 12.473 0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.553 11.880 -0.874 1.00 0.00 H new ATOM 694 N TYR A 45 6.643 14.258 -2.494 1.00 0.00 N ATOM 695 CA TYR A 45 6.541 14.703 -3.873 1.00 0.00 C ATOM 696 C TYR A 45 7.915 15.080 -4.431 1.00 0.00 C ATOM 697 O TYR A 45 8.824 15.420 -3.675 1.00 0.00 O ATOM 698 CB TYR A 45 5.654 15.950 -3.849 1.00 0.00 C ATOM 699 CG TYR A 45 6.291 17.154 -3.153 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.201 17.940 -3.829 1.00 0.00 C ATOM 701 CD2 TYR A 45 5.955 17.453 -1.848 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.801 19.074 -3.173 1.00 0.00 C ATOM 703 CE2 TYR A 45 6.555 18.586 -1.192 1.00 0.00 C ATOM 704 CZ TYR A 45 7.448 19.340 -1.887 1.00 0.00 C ATOM 705 OH TYR A 45 8.014 20.410 -1.268 1.00 0.00 O ATOM 0 H TYR A 45 6.511 14.992 -1.798 1.00 0.00 H new ATOM 0 HA TYR A 45 6.134 13.912 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.405 16.226 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.717 15.707 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.464 17.705 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.242 16.837 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.514 19.698 -3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.301 18.831 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 45 7.668 20.480 -0.354 1.00 0.00 H new ATOM 715 N ASN A 46 8.024 15.007 -5.749 1.00 0.00 N ATOM 716 CA ASN A 46 9.272 15.337 -6.416 1.00 0.00 C ATOM 717 C ASN A 46 8.996 15.611 -7.896 1.00 0.00 C ATOM 718 O ASN A 46 8.769 14.684 -8.672 1.00 0.00 O ATOM 719 CB ASN A 46 10.266 14.177 -6.328 1.00 0.00 C ATOM 720 CG ASN A 46 10.819 14.036 -4.908 1.00 0.00 C ATOM 721 OD1 ASN A 46 11.505 14.902 -4.393 1.00 0.00 O ATOM 722 ND2 ASN A 46 10.481 12.899 -4.308 1.00 0.00 N ATOM 0 H ASN A 46 7.269 14.724 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 46 9.696 16.214 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.776 13.250 -6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.086 14.342 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.800 12.710 -3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.903 12.216 -4.798 1.00 0.00 H new ATOM 729 N ARG A 47 9.026 16.890 -8.244 1.00 0.00 N ATOM 730 CA ARG A 47 8.784 17.298 -9.616 1.00 0.00 C ATOM 731 C ARG A 47 9.992 16.964 -10.493 1.00 0.00 C ATOM 732 O ARG A 47 9.844 16.680 -11.680 1.00 0.00 O ATOM 733 CB ARG A 47 8.500 18.800 -9.703 1.00 0.00 C ATOM 734 CG ARG A 47 7.492 19.105 -10.812 1.00 0.00 C ATOM 735 CD ARG A 47 6.130 19.482 -10.226 1.00 0.00 C ATOM 736 NE ARG A 47 5.289 20.116 -11.267 1.00 0.00 N ATOM 737 CZ ARG A 47 4.197 20.847 -11.008 1.00 0.00 C ATOM 738 NH1 ARG A 47 3.805 21.040 -9.740 1.00 0.00 N ATOM 739 NH2 ARG A 47 3.495 21.384 -12.014 1.00 0.00 N ATOM 0 H ARG A 47 9.214 17.657 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 47 7.911 16.752 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.114 19.156 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.428 19.339 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.864 19.921 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.385 18.235 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.633 18.593 -9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.262 20.166 -9.387 1.00 0.00 H new ATOM 0 HE ARG A 47 5.558 19.988 -12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.338 20.630 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.973 21.597 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.792 21.236 -12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.664 21.941 -11.816 1.00 0.00 H new ATOM 753 N GLY A 48 11.162 17.007 -9.872 1.00 0.00 N ATOM 754 CA GLY A 48 12.396 16.712 -10.580 1.00 0.00 C ATOM 755 C GLY A 48 12.186 15.596 -11.606 1.00 0.00 C ATOM 756 O GLY A 48 12.775 15.622 -12.686 1.00 0.00 O ATOM 0 H GLY A 48 11.281 17.242 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.755 17.610 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.166 16.416 -9.868 1.00 0.00 H new ATOM 760 N ASP A 49 11.345 14.643 -11.233 1.00 0.00 N ATOM 761 CA ASP A 49 11.050 13.521 -12.106 1.00 0.00 C ATOM 762 C ASP A 49 9.533 13.343 -12.207 1.00 0.00 C ATOM 763 O ASP A 49 9.044 12.222 -12.344 1.00 0.00 O ATOM 764 CB ASP A 49 11.643 12.222 -11.556 1.00 0.00 C ATOM 765 CG ASP A 49 12.252 11.293 -12.607 1.00 0.00 C ATOM 766 OD1 ASP A 49 13.253 11.714 -13.226 1.00 0.00 O ATOM 767 OD2 ASP A 49 11.704 10.181 -12.768 1.00 0.00 O ATOM 0 H ASP A 49 10.858 14.625 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 49 11.487 13.731 -13.082 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.412 12.472 -10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.861 11.680 -11.024 1.00 0.00 H new ATOM 772 N GLN A 50 8.832 14.465 -12.134 1.00 0.00 N ATOM 773 CA GLN A 50 7.382 14.446 -12.215 1.00 0.00 C ATOM 774 C GLN A 50 6.829 13.190 -11.540 1.00 0.00 C ATOM 775 O GLN A 50 6.069 12.437 -12.148 1.00 0.00 O ATOM 776 CB GLN A 50 6.911 14.540 -13.669 1.00 0.00 C ATOM 777 CG GLN A 50 5.407 14.809 -13.742 1.00 0.00 C ATOM 778 CD GLN A 50 5.044 16.100 -13.006 1.00 0.00 C ATOM 779 OE1 GLN A 50 5.226 17.199 -13.502 1.00 0.00 O ATOM 780 NE2 GLN A 50 4.524 15.905 -11.798 1.00 0.00 N ATOM 0 H GLN A 50 9.241 15.392 -12.020 1.00 0.00 H new ATOM 0 HA GLN A 50 6.997 15.318 -11.687 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.452 15.337 -14.179 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.144 13.612 -14.191 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.097 14.881 -14.785 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.863 13.972 -13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.399 14.957 -11.444 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.250 16.704 -11.226 1.00 0.00 H new ATOM 789 N SER A 51 7.230 13.002 -10.291 1.00 0.00 N ATOM 790 CA SER A 51 6.784 11.850 -9.526 1.00 0.00 C ATOM 791 C SER A 51 6.612 12.233 -8.056 1.00 0.00 C ATOM 792 O SER A 51 7.245 13.172 -7.577 1.00 0.00 O ATOM 793 CB SER A 51 7.767 10.685 -9.661 1.00 0.00 C ATOM 794 OG SER A 51 9.013 10.963 -9.028 1.00 0.00 O ATOM 0 H SER A 51 7.859 13.629 -9.790 1.00 0.00 H new ATOM 0 HA SER A 51 5.823 11.526 -9.924 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.329 9.788 -9.222 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.936 10.473 -10.717 1.00 0.00 H new ATOM 0 HG SER A 51 9.613 10.195 -9.135 1.00 0.00 H new ATOM 800 N THR A 52 5.752 11.486 -7.380 1.00 0.00 N ATOM 801 CA THR A 52 5.488 11.735 -5.972 1.00 0.00 C ATOM 802 C THR A 52 5.201 10.422 -5.243 1.00 0.00 C ATOM 803 O THR A 52 4.383 9.622 -5.694 1.00 0.00 O ATOM 804 CB THR A 52 4.344 12.746 -5.877 1.00 0.00 C ATOM 805 OG1 THR A 52 4.938 13.982 -6.265 1.00 0.00 O ATOM 806 CG2 THR A 52 3.892 12.986 -4.435 1.00 0.00 C ATOM 0 H THR A 52 5.229 10.708 -7.781 1.00 0.00 H new ATOM 0 HA THR A 52 6.360 12.162 -5.476 1.00 0.00 H new ATOM 0 HB THR A 52 3.499 12.393 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.264 14.693 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.079 13.711 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.547 12.048 -4.001 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.728 13.370 -3.851 1.00 0.00 H new ATOM 814 N ASP A 53 5.890 10.240 -4.125 1.00 0.00 N ATOM 815 CA ASP A 53 5.719 9.037 -3.328 1.00 0.00 C ATOM 816 C ASP A 53 4.717 9.312 -2.206 1.00 0.00 C ATOM 817 O ASP A 53 5.094 9.779 -1.133 1.00 0.00 O ATOM 818 CB ASP A 53 7.041 8.608 -2.688 1.00 0.00 C ATOM 819 CG ASP A 53 8.164 8.285 -3.676 1.00 0.00 C ATOM 820 OD1 ASP A 53 8.116 7.173 -4.244 1.00 0.00 O ATOM 821 OD2 ASP A 53 9.044 9.157 -3.840 1.00 0.00 O ATOM 0 H ASP A 53 6.567 10.906 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 53 5.363 8.244 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.380 9.403 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.859 7.730 -2.068 1.00 0.00 H new ATOM 826 N TYR A 54 3.459 9.010 -2.492 1.00 0.00 N ATOM 827 CA TYR A 54 2.400 9.220 -1.520 1.00 0.00 C ATOM 828 C TYR A 54 1.662 7.912 -1.224 1.00 0.00 C ATOM 829 O TYR A 54 1.665 6.994 -2.043 1.00 0.00 O ATOM 830 CB TYR A 54 1.425 10.207 -2.165 1.00 0.00 C ATOM 831 CG TYR A 54 1.716 11.673 -1.836 1.00 0.00 C ATOM 832 CD1 TYR A 54 3.001 12.164 -1.951 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.693 12.504 -1.425 1.00 0.00 C ATOM 834 CE1 TYR A 54 3.275 13.543 -1.642 1.00 0.00 C ATOM 835 CE2 TYR A 54 0.968 13.884 -1.116 1.00 0.00 C ATOM 836 CZ TYR A 54 2.245 14.334 -1.239 1.00 0.00 C ATOM 837 OH TYR A 54 2.504 15.638 -0.948 1.00 0.00 O ATOM 0 H TYR A 54 3.150 8.622 -3.383 1.00 0.00 H new ATOM 0 HA TYR A 54 2.809 9.591 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.453 10.075 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.413 9.966 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.801 11.514 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.312 12.120 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.276 13.940 -1.728 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.178 14.546 -0.794 1.00 0.00 H new ATOM 0 HH TYR A 54 1.675 16.083 -0.675 1.00 0.00 H new ATOM 847 N GLY A 55 1.046 7.870 -0.051 1.00 0.00 N ATOM 848 CA GLY A 55 0.306 6.691 0.364 1.00 0.00 C ATOM 849 C GLY A 55 1.127 5.841 1.336 1.00 0.00 C ATOM 850 O GLY A 55 2.346 5.743 1.203 1.00 0.00 O ATOM 0 H GLY A 55 1.045 8.634 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.628 6.992 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.042 6.097 -0.511 1.00 0.00 H new ATOM 854 N ILE A 56 0.426 5.248 2.291 1.00 0.00 N ATOM 855 CA ILE A 56 1.074 4.410 3.285 1.00 0.00 C ATOM 856 C ILE A 56 1.949 3.372 2.578 1.00 0.00 C ATOM 857 O ILE A 56 2.983 2.965 3.105 1.00 0.00 O ATOM 858 CB ILE A 56 0.037 3.800 4.229 1.00 0.00 C ATOM 859 CG1 ILE A 56 0.701 3.264 5.500 1.00 0.00 C ATOM 860 CG2 ILE A 56 -0.787 2.726 3.518 1.00 0.00 C ATOM 861 CD1 ILE A 56 -0.341 2.962 6.578 1.00 0.00 C ATOM 0 H ILE A 56 -0.585 5.331 2.397 1.00 0.00 H new ATOM 0 HA ILE A 56 1.733 5.007 3.916 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.653 4.587 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.262 2.359 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.417 3.995 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.517 2.309 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.306 3.169 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.126 1.934 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.158 2.583 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.883 3.875 6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.041 2.213 6.208 1.00 0.00 H new ATOM 873 N PHE A 57 1.502 2.974 1.396 1.00 0.00 N ATOM 874 CA PHE A 57 2.230 1.992 0.612 1.00 0.00 C ATOM 875 C PHE A 57 3.249 2.669 -0.306 1.00 0.00 C ATOM 876 O PHE A 57 3.677 2.086 -1.300 1.00 0.00 O ATOM 877 CB PHE A 57 1.202 1.251 -0.245 1.00 0.00 C ATOM 878 CG PHE A 57 0.463 0.135 0.495 1.00 0.00 C ATOM 879 CD1 PHE A 57 1.165 -0.853 1.110 1.00 0.00 C ATOM 880 CD2 PHE A 57 -0.897 0.131 0.536 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.478 -1.890 1.798 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.583 -0.905 1.223 1.00 0.00 C ATOM 883 CZ PHE A 57 -0.881 -1.893 1.839 1.00 0.00 C ATOM 0 H PHE A 57 0.644 3.314 0.962 1.00 0.00 H new ATOM 0 HA PHE A 57 2.771 1.315 1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.473 1.969 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.707 0.825 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.244 -0.850 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.455 0.916 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.035 -2.675 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.662 -0.908 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.403 -2.681 2.361 1.00 0.00 H new ATOM 893 N GLN A 58 3.608 3.891 0.061 1.00 0.00 N ATOM 894 CA GLN A 58 4.568 4.654 -0.718 1.00 0.00 C ATOM 895 C GLN A 58 4.339 4.428 -2.214 1.00 0.00 C ATOM 896 O GLN A 58 5.175 3.827 -2.888 1.00 0.00 O ATOM 897 CB GLN A 58 6.002 4.297 -0.321 1.00 0.00 C ATOM 898 CG GLN A 58 6.970 5.421 -0.696 1.00 0.00 C ATOM 899 CD GLN A 58 6.909 6.560 0.325 1.00 0.00 C ATOM 900 OE1 GLN A 58 6.001 7.490 0.044 1.00 0.00 O flip ATOM 901 NE2 GLN A 58 7.637 6.591 1.303 1.00 0.00 N flip ATOM 0 H GLN A 58 3.251 4.371 0.887 1.00 0.00 H new ATOM 0 HA GLN A 58 4.420 5.713 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.051 4.113 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.301 3.374 -0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.986 5.029 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.724 5.802 -1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.313 5.844 1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.570 7.364 1.965 1.00 0.00 H new ATOM 910 N ILE A 59 3.204 4.919 -2.688 1.00 0.00 N ATOM 911 CA ILE A 59 2.855 4.777 -4.090 1.00 0.00 C ATOM 912 C ILE A 59 3.329 6.014 -4.857 1.00 0.00 C ATOM 913 O ILE A 59 3.160 7.140 -4.392 1.00 0.00 O ATOM 914 CB ILE A 59 1.359 4.495 -4.246 1.00 0.00 C ATOM 915 CG1 ILE A 59 0.974 3.187 -3.550 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.949 4.502 -5.719 1.00 0.00 C ATOM 917 CD1 ILE A 59 -0.536 2.955 -3.619 1.00 0.00 C ATOM 0 H ILE A 59 2.514 5.416 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 59 3.365 3.916 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 59 0.807 5.297 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.496 2.353 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.294 3.217 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.119 4.299 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.167 5.478 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.506 3.734 -6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.784 2.019 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.054 3.779 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.849 2.901 -4.662 1.00 0.00 H new ATOM 929 N ASN A 60 3.914 5.763 -6.019 1.00 0.00 N ATOM 930 CA ASN A 60 4.413 6.842 -6.855 1.00 0.00 C ATOM 931 C ASN A 60 3.254 7.441 -7.653 1.00 0.00 C ATOM 932 O ASN A 60 2.477 6.712 -8.268 1.00 0.00 O ATOM 933 CB ASN A 60 5.458 6.330 -7.849 1.00 0.00 C ATOM 934 CG ASN A 60 6.847 6.878 -7.514 1.00 0.00 C ATOM 935 OD1 ASN A 60 7.141 8.048 -7.691 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.682 5.968 -7.021 1.00 0.00 N ATOM 0 H ASN A 60 4.054 4.828 -6.402 1.00 0.00 H new ATOM 0 HA ASN A 60 4.869 7.589 -6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.479 5.240 -7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.180 6.627 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.633 6.234 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.371 5.004 -6.898 1.00 0.00 H new ATOM 943 N SER A 61 3.175 8.763 -7.619 1.00 0.00 N ATOM 944 CA SER A 61 2.123 9.469 -8.333 1.00 0.00 C ATOM 945 C SER A 61 2.518 9.651 -9.799 1.00 0.00 C ATOM 946 O SER A 61 1.829 10.340 -10.550 1.00 0.00 O ATOM 947 CB SER A 61 1.835 10.826 -7.687 1.00 0.00 C ATOM 948 OG SER A 61 0.579 11.356 -8.100 1.00 0.00 O ATOM 0 H SER A 61 3.822 9.364 -7.109 1.00 0.00 H new ATOM 0 HA SER A 61 1.213 8.872 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.845 10.721 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.628 11.527 -7.947 1.00 0.00 H new ATOM 0 HG SER A 61 -0.094 11.177 -7.411 1.00 0.00 H new ATOM 954 N ARG A 62 3.626 9.022 -10.163 1.00 0.00 N ATOM 955 CA ARG A 62 4.121 9.106 -11.527 1.00 0.00 C ATOM 956 C ARG A 62 3.556 7.959 -12.369 1.00 0.00 C ATOM 957 O ARG A 62 4.009 7.725 -13.488 1.00 0.00 O ATOM 958 CB ARG A 62 5.649 9.052 -11.563 1.00 0.00 C ATOM 959 CG ARG A 62 6.164 7.722 -11.010 1.00 0.00 C ATOM 960 CD ARG A 62 7.444 7.288 -11.728 1.00 0.00 C ATOM 961 NE ARG A 62 7.103 6.555 -12.969 1.00 0.00 N ATOM 962 CZ ARG A 62 7.956 6.359 -13.983 1.00 0.00 C ATOM 963 NH1 ARG A 62 9.206 6.840 -13.911 1.00 0.00 N ATOM 964 NH2 ARG A 62 7.561 5.682 -15.070 1.00 0.00 N ATOM 0 H ARG A 62 4.195 8.452 -9.537 1.00 0.00 H new ATOM 0 HA ARG A 62 3.793 10.060 -11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.997 9.183 -12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.059 9.876 -10.979 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.357 7.819 -9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.399 6.955 -11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.051 8.161 -11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.041 6.654 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 62 6.160 6.176 -13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.507 7.355 -13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.855 6.691 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.611 5.316 -15.125 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.211 5.533 -15.842 1.00 0.00 H new ATOM 978 N TYR A 63 2.577 7.274 -11.797 1.00 0.00 N ATOM 979 CA TYR A 63 1.947 6.158 -12.479 1.00 0.00 C ATOM 980 C TYR A 63 0.495 5.988 -12.030 1.00 0.00 C ATOM 981 O TYR A 63 -0.405 5.859 -12.860 1.00 0.00 O ATOM 982 CB TYR A 63 2.741 4.914 -12.075 1.00 0.00 C ATOM 983 CG TYR A 63 3.510 4.264 -13.227 1.00 0.00 C ATOM 984 CD1 TYR A 63 2.844 3.888 -14.376 1.00 0.00 C ATOM 985 CD2 TYR A 63 4.870 4.055 -13.118 1.00 0.00 C ATOM 986 CE1 TYR A 63 3.568 3.277 -15.461 1.00 0.00 C ATOM 987 CE2 TYR A 63 5.594 3.444 -14.203 1.00 0.00 C ATOM 988 CZ TYR A 63 4.907 3.085 -15.321 1.00 0.00 C ATOM 989 OH TYR A 63 5.591 2.508 -16.345 1.00 0.00 O ATOM 0 H TYR A 63 2.205 7.471 -10.868 1.00 0.00 H new ATOM 0 HA TYR A 63 1.943 6.321 -13.557 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.446 5.185 -11.289 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.056 4.181 -11.650 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.780 4.052 -14.462 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.391 4.350 -12.219 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.059 2.978 -16.365 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.658 3.275 -14.131 1.00 0.00 H new ATOM 0 HH TYR A 63 6.538 2.435 -16.105 1.00 0.00 H new ATOM 999 N TRP A 64 0.310 5.996 -10.718 1.00 0.00 N ATOM 1000 CA TRP A 64 -1.019 5.846 -10.148 1.00 0.00 C ATOM 1001 C TRP A 64 -1.325 7.098 -9.326 1.00 0.00 C ATOM 1002 O TRP A 64 -0.412 7.779 -8.860 1.00 0.00 O ATOM 1003 CB TRP A 64 -1.123 4.555 -9.333 1.00 0.00 C ATOM 1004 CG TRP A 64 -0.481 3.340 -10.005 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.772 2.886 -9.866 1.00 0.00 C ATOM 1006 CD2 TRP A 64 -1.116 2.437 -10.935 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.990 1.760 -10.635 1.00 0.00 N ATOM 1008 CE2 TRP A 64 -0.194 1.479 -11.306 1.00 0.00 C ATOM 1009 CE3 TRP A 64 -2.426 2.430 -11.446 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 -0.484 0.442 -12.202 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 -2.700 1.389 -12.341 1.00 0.00 C ATOM 1012 CH2 TRP A 64 -1.783 0.416 -12.723 1.00 0.00 C ATOM 0 H TRP A 64 1.058 6.104 -10.033 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.768 5.755 -10.935 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.652 4.711 -8.363 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.175 4.340 -9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.518 3.343 -9.232 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.860 1.232 -10.699 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.163 3.170 -11.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.254 -0.297 -12.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.692 1.338 -12.764 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.072 -0.357 -13.419 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.613 7.367 -9.173 1.00 0.00 N ATOM 1024 CA CYS A 65 -3.052 8.526 -8.415 1.00 0.00 C ATOM 1025 C CYS A 65 -2.526 9.783 -9.112 1.00 0.00 C ATOM 1026 O CYS A 65 -1.352 9.851 -9.473 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.600 8.452 -6.955 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.152 9.493 -6.546 1.00 0.00 S ATOM 0 H CYS A 65 -3.368 6.801 -9.562 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.141 8.555 -8.388 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.433 8.746 -6.316 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.364 7.415 -6.715 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.419 10.746 -9.279 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.059 11.996 -9.927 1.00 0.00 C ATOM 1035 C ASN A 66 -4.104 13.061 -9.585 1.00 0.00 C ATOM 1036 O ASN A 66 -4.917 12.872 -8.683 1.00 0.00 O ATOM 1037 CB ASN A 66 -3.024 11.839 -11.448 1.00 0.00 C ATOM 1038 CG ASN A 66 -1.946 12.732 -12.066 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -1.087 13.272 -11.389 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -2.039 12.856 -13.387 1.00 0.00 N ATOM 0 H ASN A 66 -4.391 10.687 -8.977 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.070 12.287 -9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.830 10.798 -11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.997 12.095 -11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.366 13.431 -13.894 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.783 12.376 -13.893 1.00 0.00 H new ATOM 1047 N ASP A 67 -4.047 14.159 -10.325 1.00 0.00 N ATOM 1048 CA ASP A 67 -4.978 15.254 -10.113 1.00 0.00 C ATOM 1049 C ASP A 67 -5.803 15.470 -11.383 1.00 0.00 C ATOM 1050 O ASP A 67 -7.032 15.478 -11.335 1.00 0.00 O ATOM 1051 CB ASP A 67 -4.236 16.555 -9.804 1.00 0.00 C ATOM 1052 CG ASP A 67 -5.003 17.834 -10.146 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -6.240 17.819 -9.967 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -4.335 18.799 -10.576 1.00 0.00 O ATOM 0 H ASP A 67 -3.370 14.313 -11.072 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.617 14.994 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.988 16.571 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.294 16.557 -10.352 1.00 0.00 H new ATOM 1059 N GLY A 68 -5.094 15.640 -12.489 1.00 0.00 N ATOM 1060 CA GLY A 68 -5.746 15.856 -13.771 1.00 0.00 C ATOM 1061 C GLY A 68 -5.410 17.241 -14.330 1.00 0.00 C ATOM 1062 O GLY A 68 -5.839 17.589 -15.428 1.00 0.00 O ATOM 0 H GLY A 68 -4.075 15.633 -12.525 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.431 15.088 -14.478 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.825 15.759 -13.655 1.00 0.00 H new ATOM 1066 N LYS A 69 -4.648 17.990 -13.548 1.00 0.00 N ATOM 1067 CA LYS A 69 -4.251 19.329 -13.951 1.00 0.00 C ATOM 1068 C LYS A 69 -2.830 19.286 -14.517 1.00 0.00 C ATOM 1069 O LYS A 69 -2.343 20.278 -15.055 1.00 0.00 O ATOM 1070 CB LYS A 69 -4.421 20.311 -12.790 1.00 0.00 C ATOM 1071 CG LYS A 69 -4.502 21.752 -13.299 1.00 0.00 C ATOM 1072 CD LYS A 69 -4.257 22.748 -12.164 1.00 0.00 C ATOM 1073 CE LYS A 69 -5.459 23.677 -11.980 1.00 0.00 C ATOM 1074 NZ LYS A 69 -6.314 23.204 -10.868 1.00 0.00 N ATOM 0 H LYS A 69 -4.295 17.696 -12.637 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.901 19.696 -14.746 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.325 20.067 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.584 20.212 -12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.765 21.905 -14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.483 21.931 -13.740 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.065 22.208 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.366 23.338 -12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.115 24.691 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.040 23.717 -12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.125 23.845 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.657 22.245 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.761 23.189 -9.987 1.00 0.00 H new ATOM 1088 N THR A 70 -2.206 18.125 -14.375 1.00 0.00 N ATOM 1089 CA THR A 70 -0.851 17.940 -14.865 1.00 0.00 C ATOM 1090 C THR A 70 -0.848 17.023 -16.090 1.00 0.00 C ATOM 1091 O THR A 70 -0.980 15.807 -15.961 1.00 0.00 O ATOM 1092 CB THR A 70 0.002 17.412 -13.709 1.00 0.00 C ATOM 1093 OG1 THR A 70 1.341 17.561 -14.170 1.00 0.00 O ATOM 1094 CG2 THR A 70 -0.157 15.904 -13.506 1.00 0.00 C ATOM 0 H THR A 70 -2.614 17.304 -13.928 1.00 0.00 H new ATOM 0 HA THR A 70 -0.420 18.883 -15.202 1.00 0.00 H new ATOM 0 HB THR A 70 -0.269 17.932 -12.790 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.961 17.244 -13.481 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.469 15.581 -12.674 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.200 15.674 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.146 15.381 -14.413 1.00 0.00 H new ATOM 1102 N PRO A 71 -0.691 17.659 -17.282 1.00 0.00 N ATOM 1103 CA PRO A 71 -0.669 16.915 -18.530 1.00 0.00 C ATOM 1104 C PRO A 71 0.662 16.180 -18.707 1.00 0.00 C ATOM 1105 O PRO A 71 1.343 16.355 -19.716 1.00 0.00 O ATOM 1106 CB PRO A 71 -0.922 17.952 -19.612 1.00 0.00 C ATOM 1107 CG PRO A 71 -0.615 19.299 -18.978 1.00 0.00 C ATOM 1108 CD PRO A 71 -0.530 19.098 -17.474 1.00 0.00 C ATOM 0 HA PRO A 71 -1.425 16.130 -18.564 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.286 17.775 -20.479 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.954 17.910 -19.960 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.324 19.697 -19.363 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.393 20.022 -19.223 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.426 19.445 -17.082 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.309 19.656 -16.955 1.00 0.00 H new ATOM 1116 N ARG A 72 0.994 15.374 -17.708 1.00 0.00 N ATOM 1117 CA ARG A 72 2.231 14.613 -17.741 1.00 0.00 C ATOM 1118 C ARG A 72 2.004 13.207 -17.183 1.00 0.00 C ATOM 1119 O ARG A 72 2.054 12.226 -17.922 1.00 0.00 O ATOM 1120 CB ARG A 72 3.326 15.307 -16.927 1.00 0.00 C ATOM 1121 CG ARG A 72 4.593 15.495 -17.764 1.00 0.00 C ATOM 1122 CD ARG A 72 5.005 16.969 -17.809 1.00 0.00 C ATOM 1123 NE ARG A 72 6.028 17.176 -18.859 1.00 0.00 N ATOM 1124 CZ ARG A 72 6.626 18.349 -19.103 1.00 0.00 C ATOM 1125 NH1 ARG A 72 6.307 19.429 -18.376 1.00 0.00 N ATOM 1126 NH2 ARG A 72 7.543 18.444 -20.076 1.00 0.00 N ATOM 0 H ARG A 72 0.428 15.232 -16.872 1.00 0.00 H new ATOM 0 HA ARG A 72 2.553 14.547 -18.780 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.968 16.276 -16.580 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.555 14.716 -16.040 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.403 14.900 -17.343 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.422 15.130 -18.777 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.134 17.593 -18.010 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.399 17.275 -16.840 1.00 0.00 H new ATOM 0 HE ARG A 72 6.294 16.375 -19.432 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.608 19.358 -17.636 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.763 20.322 -18.562 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.785 17.623 -20.630 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.999 19.337 -20.262 1.00 0.00 H new ATOM 1140 N ALA A 73 1.758 13.155 -15.881 1.00 0.00 N ATOM 1141 CA ALA A 73 1.522 11.885 -15.215 1.00 0.00 C ATOM 1142 C ALA A 73 0.384 11.146 -15.922 1.00 0.00 C ATOM 1143 O ALA A 73 -0.094 11.588 -16.965 1.00 0.00 O ATOM 1144 CB ALA A 73 1.226 12.132 -13.735 1.00 0.00 C ATOM 0 H ALA A 73 1.717 13.971 -15.271 1.00 0.00 H new ATOM 0 HA ALA A 73 2.408 11.253 -15.269 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.049 11.180 -13.235 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.077 12.632 -13.272 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.341 12.761 -13.641 1.00 0.00 H new ATOM 1150 N VAL A 74 -0.017 10.033 -15.326 1.00 0.00 N ATOM 1151 CA VAL A 74 -1.091 9.229 -15.885 1.00 0.00 C ATOM 1152 C VAL A 74 -1.824 8.507 -14.753 1.00 0.00 C ATOM 1153 O VAL A 74 -1.384 7.453 -14.296 1.00 0.00 O ATOM 1154 CB VAL A 74 -0.532 8.273 -16.941 1.00 0.00 C ATOM 1155 CG1 VAL A 74 -1.155 8.546 -18.312 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.994 8.358 -17.005 1.00 0.00 C ATOM 0 H VAL A 74 0.383 9.669 -14.461 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.819 9.862 -16.391 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.798 7.257 -16.648 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.741 7.853 -19.044 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.235 8.410 -18.254 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.934 9.569 -18.615 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.365 7.669 -17.763 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.291 9.375 -17.262 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.414 8.091 -16.035 1.00 0.00 H new ATOM 1166 N ASN A 75 -2.930 9.102 -14.334 1.00 0.00 N ATOM 1167 CA ASN A 75 -3.730 8.529 -13.263 1.00 0.00 C ATOM 1168 C ASN A 75 -4.358 7.221 -13.747 1.00 0.00 C ATOM 1169 O ASN A 75 -5.579 7.110 -13.836 1.00 0.00 O ATOM 1170 CB ASN A 75 -4.861 9.473 -12.854 1.00 0.00 C ATOM 1171 CG ASN A 75 -5.221 9.291 -11.378 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -4.880 8.106 -10.881 1.00 0.00 O flip ATOM 1173 ND2 ASN A 75 -5.772 10.168 -10.734 1.00 0.00 N flip ATOM 0 H ASN A 75 -3.292 9.976 -14.716 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.076 8.359 -12.408 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.561 10.505 -13.034 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.739 9.284 -13.472 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.006 11.056 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.998 10.014 -9.752 1.00 0.00 H new ATOM 1180 N ALA A 76 -3.493 6.262 -14.046 1.00 0.00 N ATOM 1181 CA ALA A 76 -3.948 4.965 -14.519 1.00 0.00 C ATOM 1182 C ALA A 76 -4.931 4.375 -13.507 1.00 0.00 C ATOM 1183 O ALA A 76 -5.689 3.462 -13.831 1.00 0.00 O ATOM 1184 CB ALA A 76 -2.740 4.056 -14.756 1.00 0.00 C ATOM 0 H ALA A 76 -2.480 6.357 -13.970 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.473 5.065 -15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.081 3.083 -15.111 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.087 4.506 -15.503 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.191 3.930 -13.823 1.00 0.00 H new ATOM 1190 N CYS A 77 -4.890 4.921 -12.300 1.00 0.00 N ATOM 1191 CA CYS A 77 -5.768 4.461 -11.238 1.00 0.00 C ATOM 1192 C CYS A 77 -7.076 5.249 -11.321 1.00 0.00 C ATOM 1193 O CYS A 77 -8.136 4.742 -10.956 1.00 0.00 O ATOM 1194 CB CYS A 77 -5.110 4.590 -9.864 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.605 3.310 -8.652 1.00 0.00 S ATOM 0 H CYS A 77 -4.261 5.679 -12.034 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.976 3.399 -11.369 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.028 4.552 -9.990 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.349 5.571 -9.453 1.00 0.00 H new ATOM 1200 N GLY A 78 -6.959 6.478 -11.803 1.00 0.00 N ATOM 1201 CA GLY A 78 -8.121 7.342 -11.938 1.00 0.00 C ATOM 1202 C GLY A 78 -8.684 7.722 -10.567 1.00 0.00 C ATOM 1203 O GLY A 78 -9.871 7.532 -10.306 1.00 0.00 O ATOM 0 H GLY A 78 -6.079 6.896 -12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.846 8.244 -12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.889 6.836 -12.523 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.805 8.252 -9.728 1.00 0.00 N ATOM 1208 CA ILE A 79 -8.201 8.660 -8.390 1.00 0.00 C ATOM 1209 C ILE A 79 -7.285 9.790 -7.916 1.00 0.00 C ATOM 1210 O ILE A 79 -6.119 9.853 -8.303 1.00 0.00 O ATOM 1211 CB ILE A 79 -8.228 7.454 -7.449 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.941 7.371 -6.626 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -8.500 6.161 -8.221 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.862 6.584 -7.372 1.00 0.00 C ATOM 0 H ILE A 79 -6.821 8.408 -9.948 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.218 9.053 -8.395 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.051 7.588 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.579 8.376 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.148 6.893 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.514 5.320 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.465 6.233 -8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.716 6.008 -8.962 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.958 6.540 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.218 5.572 -7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.640 7.078 -8.318 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.847 10.654 -7.083 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.096 11.778 -6.551 1.00 0.00 C ATOM 1228 C ASN A 80 -6.142 11.280 -5.464 1.00 0.00 C ATOM 1229 O ASN A 80 -6.570 10.647 -4.499 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.029 12.815 -5.923 1.00 0.00 C ATOM 1231 CG ASN A 80 -8.118 14.071 -6.792 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -7.557 14.149 -7.873 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -8.851 15.045 -6.262 1.00 0.00 N ATOM 0 H ASN A 80 -8.814 10.598 -6.764 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.548 12.237 -7.374 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.023 12.385 -5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.667 13.081 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.971 15.924 -6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.293 14.913 -5.352 1.00 0.00 H new ATOM 1240 N CYS A 81 -4.867 11.583 -5.656 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.849 11.174 -4.704 1.00 0.00 C ATOM 1242 C CYS A 81 -4.355 11.488 -3.295 1.00 0.00 C ATOM 1243 O CYS A 81 -3.961 10.834 -2.329 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.504 11.846 -4.990 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.764 11.422 -6.610 1.00 0.00 S ATOM 0 H CYS A 81 -4.516 12.107 -6.457 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.672 10.102 -4.795 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.635 12.927 -4.938 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -1.802 11.572 -4.203 1.00 0.00 H new ATOM 1250 N SER A 82 -5.219 12.491 -3.221 1.00 0.00 N ATOM 1251 CA SER A 82 -5.782 12.899 -1.945 1.00 0.00 C ATOM 1252 C SER A 82 -6.453 11.705 -1.262 1.00 0.00 C ATOM 1253 O SER A 82 -6.357 11.547 -0.046 1.00 0.00 O ATOM 1254 CB SER A 82 -6.786 14.039 -2.127 1.00 0.00 C ATOM 1255 OG SER A 82 -7.026 14.738 -0.910 1.00 0.00 O ATOM 0 H SER A 82 -5.542 13.032 -4.023 1.00 0.00 H new ATOM 0 HA SER A 82 -4.971 13.261 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.412 14.735 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.726 13.637 -2.506 1.00 0.00 H new ATOM 0 HG SER A 82 -7.671 15.459 -1.068 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.118 10.896 -2.075 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.804 9.721 -1.565 1.00 0.00 C ATOM 1263 C ALA A 83 -6.798 8.819 -0.848 1.00 0.00 C ATOM 1264 O ALA A 83 -7.183 7.963 -0.054 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.515 9.006 -2.715 1.00 0.00 C ATOM 0 H ALA A 83 -7.196 11.031 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.565 10.006 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.030 8.125 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.240 9.681 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.783 8.703 -3.463 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.528 9.041 -1.156 1.00 0.00 N ATOM 1272 CA LEU A 84 -4.464 8.258 -0.552 1.00 0.00 C ATOM 1273 C LEU A 84 -3.828 9.062 0.584 1.00 0.00 C ATOM 1274 O LEU A 84 -2.756 8.709 1.074 1.00 0.00 O ATOM 1275 CB LEU A 84 -3.464 7.802 -1.616 1.00 0.00 C ATOM 1276 CG LEU A 84 -4.055 7.062 -2.818 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -3.570 7.676 -4.133 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.756 5.564 -2.740 1.00 0.00 C ATOM 0 H LEU A 84 -5.213 9.752 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.865 7.345 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.928 8.678 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.728 7.153 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.139 7.176 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.005 7.131 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.876 8.721 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.483 7.614 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.187 5.061 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.677 5.408 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.191 5.153 -1.829 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.516 10.125 0.971 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.033 10.982 2.041 1.00 0.00 C ATOM 1292 C LEU A 85 -5.152 11.199 3.061 1.00 0.00 C ATOM 1293 O LEU A 85 -5.145 12.185 3.795 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.460 12.281 1.470 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.078 12.687 1.985 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.430 13.720 1.060 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -2.155 13.181 3.431 1.00 0.00 C ATOM 0 H LEU A 85 -5.405 10.413 0.563 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.209 10.503 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.408 12.186 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.159 13.089 1.687 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.439 11.804 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.449 13.992 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.320 13.296 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.059 14.609 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.159 13.463 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.816 14.046 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.545 12.386 4.067 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.089 10.262 3.073 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.213 10.338 3.990 1.00 0.00 C ATOM 1311 C GLN A 86 -7.230 9.118 4.911 1.00 0.00 C ATOM 1312 O GLN A 86 -6.260 8.362 4.966 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.534 10.469 3.229 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.867 9.175 2.483 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.230 9.274 1.795 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.943 10.257 1.911 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.551 8.204 1.073 1.00 0.00 N ATOM 0 H GLN A 86 -6.092 9.446 2.462 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.095 11.231 4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.337 10.708 3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.470 11.295 2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.095 8.970 1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.868 8.338 3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.908 7.414 1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.440 8.173 0.574 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.342 8.962 5.614 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.498 7.845 6.531 1.00 0.00 C ATOM 1328 C ASP A 87 -8.810 6.576 5.735 1.00 0.00 C ATOM 1329 O ASP A 87 -8.040 5.617 5.765 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.655 8.089 7.504 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.193 6.834 8.194 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.957 6.103 7.528 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -9.829 6.635 9.373 1.00 0.00 O ATOM 0 H ASP A 87 -9.144 9.590 5.567 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.570 7.738 7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.325 8.793 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.472 8.566 6.962 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.938 6.612 5.042 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.360 5.477 4.240 1.00 0.00 C ATOM 1340 C ASP A 88 -9.229 5.081 3.289 1.00 0.00 C ATOM 1341 O ASP A 88 -8.895 5.826 2.370 1.00 0.00 O ATOM 1342 CB ASP A 88 -11.586 5.827 3.393 1.00 0.00 C ATOM 1343 CG ASP A 88 -12.681 6.601 4.130 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -12.740 6.459 5.371 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -13.433 7.319 3.437 1.00 0.00 O ATOM 0 H ASP A 88 -10.573 7.410 5.019 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.609 4.660 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.260 6.416 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.014 4.904 3.002 1.00 0.00 H new ATOM 1350 N ILE A 89 -8.668 3.908 3.545 1.00 0.00 N ATOM 1351 CA ILE A 89 -7.581 3.403 2.724 1.00 0.00 C ATOM 1352 C ILE A 89 -8.159 2.653 1.523 1.00 0.00 C ATOM 1353 O ILE A 89 -7.416 2.101 0.713 1.00 0.00 O ATOM 1354 CB ILE A 89 -6.618 2.564 3.566 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.363 1.453 4.308 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -5.811 3.448 4.520 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.394 0.374 4.796 1.00 0.00 C ATOM 0 H ILE A 89 -8.946 3.293 4.310 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.988 4.228 2.330 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.908 2.082 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.901 1.875 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.108 1.007 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.134 2.827 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.233 4.171 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.490 3.976 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.949 -0.404 5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.876 -0.063 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.665 0.819 5.474 1.00 0.00 H new ATOM 1369 N THR A 90 -9.482 2.657 1.445 1.00 0.00 N ATOM 1370 CA THR A 90 -10.170 1.984 0.355 1.00 0.00 C ATOM 1371 C THR A 90 -9.463 2.260 -0.973 1.00 0.00 C ATOM 1372 O THR A 90 -9.382 1.383 -1.831 1.00 0.00 O ATOM 1373 CB THR A 90 -11.633 2.434 0.370 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.354 1.256 0.717 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.150 2.791 -1.025 1.00 0.00 C ATOM 0 H THR A 90 -10.096 3.115 2.118 1.00 0.00 H new ATOM 0 HA THR A 90 -10.146 0.902 0.481 1.00 0.00 H new ATOM 0 HB THR A 90 -11.741 3.296 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.312 1.457 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.192 3.104 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.553 3.605 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.074 1.920 -1.675 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.968 3.482 -1.101 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.271 3.885 -2.311 1.00 0.00 C ATOM 1385 C ALA A 91 -6.908 3.192 -2.363 1.00 0.00 C ATOM 1386 O ALA A 91 -6.490 2.715 -3.416 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.151 5.410 -2.348 1.00 0.00 C ATOM 0 H ALA A 91 -9.036 4.207 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.830 3.581 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.628 5.712 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.147 5.854 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.593 5.752 -1.477 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.252 3.158 -1.212 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.945 2.532 -1.112 1.00 0.00 C ATOM 1395 C ALA A 92 -5.061 1.056 -1.499 1.00 0.00 C ATOM 1396 O ALA A 92 -4.187 0.517 -2.176 1.00 0.00 O ATOM 1397 CB ALA A 92 -4.394 2.722 0.302 1.00 0.00 C ATOM 0 H ALA A 92 -6.602 3.555 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.242 3.000 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.413 2.252 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.304 3.787 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.072 2.263 1.021 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.148 0.444 -1.052 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.390 -0.960 -1.343 1.00 0.00 C ATOM 1405 C ILE A 93 -6.740 -1.116 -2.824 1.00 0.00 C ATOM 1406 O ILE A 93 -6.166 -1.956 -3.516 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.450 -1.528 -0.397 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.171 -1.117 1.050 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.563 -3.046 -0.549 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.139 -1.807 2.013 1.00 0.00 C ATOM 0 H ILE A 93 -6.871 0.894 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.489 -1.547 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.415 -1.103 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.145 -1.375 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.264 -0.035 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.323 -3.425 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.843 -3.289 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.603 -3.507 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.919 -1.497 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.162 -1.528 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.027 -2.888 1.929 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.679 -0.293 -3.267 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.112 -0.330 -4.653 1.00 0.00 C ATOM 1424 C GLN A 94 -6.917 -0.134 -5.589 1.00 0.00 C ATOM 1425 O GLN A 94 -6.734 -0.897 -6.536 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.192 0.721 -4.918 1.00 0.00 C ATOM 1427 CG GLN A 94 -9.976 0.393 -6.190 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.483 0.530 -5.958 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -12.037 0.017 -4.999 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -12.110 1.247 -6.884 1.00 0.00 N ATOM 0 H GLN A 94 -8.152 0.403 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.547 -1.310 -4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.874 0.769 -4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.732 1.704 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.666 1.060 -6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.745 -0.622 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.585 1.648 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.117 1.397 -6.818 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.133 0.891 -5.288 1.00 0.00 N ATOM 1440 CA CYS A 95 -4.960 1.195 -6.091 1.00 0.00 C ATOM 1441 C CYS A 95 -3.936 0.076 -5.888 1.00 0.00 C ATOM 1442 O CYS A 95 -3.295 -0.364 -6.842 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.380 2.568 -5.746 1.00 0.00 C ATOM 1444 SG CYS A 95 -4.528 3.820 -7.073 1.00 0.00 S ATOM 0 H CYS A 95 -6.286 1.521 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.239 1.245 -7.144 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.880 2.944 -4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.326 2.449 -5.494 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.814 -0.352 -4.640 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.879 -1.411 -4.302 1.00 0.00 C ATOM 1451 C ALA A 96 -3.098 -2.600 -5.240 1.00 0.00 C ATOM 1452 O ALA A 96 -2.151 -3.106 -5.840 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.050 -1.792 -2.830 1.00 0.00 C ATOM 0 H ALA A 96 -4.347 0.015 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.852 -1.072 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.349 -2.587 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.854 -0.922 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.069 -2.140 -2.660 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.354 -3.010 -5.339 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.711 -4.130 -6.195 1.00 0.00 C ATOM 1461 C LYS A 97 -4.552 -3.717 -7.659 1.00 0.00 C ATOM 1462 O LYS A 97 -4.021 -4.475 -8.468 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.108 -4.646 -5.847 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.165 -3.562 -6.076 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.573 -4.160 -6.069 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.429 -3.558 -7.186 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.845 -3.959 -7.026 1.00 0.00 N ATOM 0 H LYS A 97 -5.137 -2.587 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.037 -4.970 -6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.339 -5.519 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.132 -4.968 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.085 -2.801 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.982 -3.065 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.514 -5.241 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.046 -3.976 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.348 -2.471 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.058 -3.890 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.412 -3.542 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.919 -4.996 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.200 -3.621 -6.109 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.026 -2.515 -7.956 1.00 0.00 N ATOM 1482 CA ARG A 98 -4.944 -1.992 -9.308 1.00 0.00 C ATOM 1483 C ARG A 98 -3.483 -1.865 -9.742 1.00 0.00 C ATOM 1484 O ARG A 98 -3.184 -1.859 -10.935 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.621 -0.623 -9.411 1.00 0.00 C ATOM 1486 CG ARG A 98 -5.698 -0.159 -10.868 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.139 -0.194 -11.379 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.356 0.897 -12.357 1.00 0.00 N ATOM 1489 CZ ARG A 98 -8.510 1.106 -13.003 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -9.560 0.303 -12.780 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -8.616 2.119 -13.874 1.00 0.00 N ATOM 0 H ARG A 98 -5.468 -1.889 -7.283 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.461 -2.691 -9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.625 -0.677 -8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.066 0.107 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.303 0.853 -10.952 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.072 -0.798 -11.491 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.345 -1.158 -11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.832 -0.089 -10.544 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.578 1.528 -12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.480 -0.468 -12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.438 0.463 -13.273 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.818 2.731 -14.045 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.495 2.278 -14.366 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.611 -1.766 -8.749 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.187 -1.640 -9.012 1.00 0.00 C ATOM 1507 C VAL A 99 -0.580 -3.034 -9.187 1.00 0.00 C ATOM 1508 O VAL A 99 0.015 -3.329 -10.221 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.519 -0.831 -7.899 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.993 -1.060 -7.887 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -0.847 0.657 -8.029 1.00 0.00 C ATOM 0 H VAL A 99 -2.863 -1.770 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.016 -1.093 -9.939 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.918 -1.179 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.444 -0.473 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.200 -2.118 -7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.415 -0.753 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.359 1.209 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.490 1.026 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.926 0.799 -7.964 1.00 0.00 H new ATOM 1521 N VAL A 100 -0.751 -3.852 -8.159 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.227 -5.206 -8.186 1.00 0.00 C ATOM 1523 C VAL A 100 -0.787 -5.941 -9.405 1.00 0.00 C ATOM 1524 O VAL A 100 -0.149 -6.850 -9.934 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.538 -5.914 -6.865 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -0.205 -7.405 -6.951 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.201 -5.253 -5.701 1.00 0.00 C ATOM 0 H VAL A 100 -1.245 -3.603 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 100 0.858 -5.194 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.608 -5.820 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.435 -7.885 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.797 -7.865 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.855 -7.529 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.038 -5.776 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.275 -5.301 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.107 -4.211 -5.619 1.00 0.00 H new ATOM 1537 N ARG A 101 -1.974 -5.520 -9.816 1.00 0.00 N ATOM 1538 CA ARG A 101 -2.627 -6.127 -10.963 1.00 0.00 C ATOM 1539 C ARG A 101 -1.683 -6.141 -12.167 1.00 0.00 C ATOM 1540 O ARG A 101 -1.874 -6.915 -13.103 1.00 0.00 O ATOM 1541 CB ARG A 101 -3.903 -5.370 -11.335 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.114 -6.305 -11.342 1.00 0.00 C ATOM 1543 CD ARG A 101 -6.213 -5.773 -12.264 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.373 -6.692 -12.254 1.00 0.00 N ATOM 1545 CZ ARG A 101 -8.343 -6.689 -13.177 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -8.298 -5.815 -14.193 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -9.356 -7.561 -13.088 1.00 0.00 N ATOM 0 H ARG A 101 -2.500 -4.766 -9.375 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.890 -7.149 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.069 -4.560 -10.625 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.786 -4.914 -12.318 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.809 -7.299 -11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.503 -6.409 -10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.523 -4.780 -11.938 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -5.829 -5.670 -13.279 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.438 -7.371 -11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.525 -5.153 -14.262 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.037 -5.812 -14.896 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.389 -8.228 -12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.095 -7.558 -13.791 1.00 0.00 H new ATOM 1561 N ASP A 102 -0.681 -5.276 -12.102 1.00 0.00 N ATOM 1562 CA ASP A 102 0.294 -5.178 -13.175 1.00 0.00 C ATOM 1563 C ASP A 102 1.294 -6.330 -13.054 1.00 0.00 C ATOM 1564 O ASP A 102 1.227 -7.119 -12.114 1.00 0.00 O ATOM 1565 CB ASP A 102 1.075 -3.865 -13.093 1.00 0.00 C ATOM 1566 CG ASP A 102 0.914 -2.940 -14.301 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.221 -2.883 -14.824 1.00 0.00 O ATOM 1568 OD2 ASP A 102 1.927 -2.312 -14.675 1.00 0.00 O ATOM 0 H ASP A 102 -0.523 -4.637 -11.323 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.242 -5.219 -14.123 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.760 -3.328 -12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.133 -4.096 -12.970 1.00 0.00 H new ATOM 1573 N PRO A 103 2.221 -6.393 -14.048 1.00 0.00 N ATOM 1574 CA PRO A 103 3.233 -7.436 -14.063 1.00 0.00 C ATOM 1575 C PRO A 103 4.318 -7.161 -13.020 1.00 0.00 C ATOM 1576 O PRO A 103 5.272 -7.927 -12.895 1.00 0.00 O ATOM 1577 CB PRO A 103 3.766 -7.446 -15.486 1.00 0.00 C ATOM 1578 CG PRO A 103 3.369 -6.109 -16.090 1.00 0.00 C ATOM 1579 CD PRO A 103 2.329 -5.476 -15.179 1.00 0.00 C ATOM 0 HA PRO A 103 2.834 -8.414 -13.795 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.849 -7.573 -15.497 1.00 0.00 H new ATOM 0 HB3 PRO A 103 3.342 -8.273 -16.056 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.239 -5.460 -16.185 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.964 -6.248 -17.092 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.638 -4.482 -14.855 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.373 -5.362 -15.689 1.00 0.00 H new ATOM 1587 N GLN A 104 4.136 -6.065 -12.297 1.00 0.00 N ATOM 1588 CA GLN A 104 5.088 -5.680 -11.270 1.00 0.00 C ATOM 1589 C GLN A 104 5.069 -6.692 -10.122 1.00 0.00 C ATOM 1590 O GLN A 104 6.082 -7.327 -9.833 1.00 0.00 O ATOM 1591 CB GLN A 104 4.801 -4.266 -10.759 1.00 0.00 C ATOM 1592 CG GLN A 104 4.749 -3.266 -11.915 1.00 0.00 C ATOM 1593 CD GLN A 104 6.072 -2.507 -12.043 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.975 -2.640 -11.234 1.00 0.00 O ATOM 1595 NE2 GLN A 104 6.135 -1.705 -13.103 1.00 0.00 N ATOM 0 H GLN A 104 3.343 -5.432 -12.403 1.00 0.00 H new ATOM 0 HA GLN A 104 6.086 -5.677 -11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.853 -4.255 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.573 -3.968 -10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.535 -3.791 -12.846 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.935 -2.560 -11.753 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.342 -1.640 -13.741 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.976 -1.155 -13.277 1.00 0.00 H new ATOM 1604 N GLY A 105 3.905 -6.811 -9.500 1.00 0.00 N ATOM 1605 CA GLY A 105 3.741 -7.735 -8.391 1.00 0.00 C ATOM 1606 C GLY A 105 4.370 -7.175 -7.113 1.00 0.00 C ATOM 1607 O GLY A 105 5.247 -6.315 -7.175 1.00 0.00 O ATOM 0 H GLY A 105 3.067 -6.283 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.681 -7.925 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.202 -8.691 -8.639 1.00 0.00 H new ATOM 1611 N ILE A 106 3.897 -7.685 -5.986 1.00 0.00 N ATOM 1612 CA ILE A 106 4.401 -7.248 -4.695 1.00 0.00 C ATOM 1613 C ILE A 106 5.915 -7.049 -4.786 1.00 0.00 C ATOM 1614 O ILE A 106 6.478 -6.206 -4.089 1.00 0.00 O ATOM 1615 CB ILE A 106 3.972 -8.220 -3.594 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.543 -7.929 -3.132 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.966 -8.202 -2.430 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.494 -6.676 -2.257 1.00 0.00 C ATOM 0 H ILE A 106 3.169 -8.398 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 106 3.968 -6.286 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 106 3.977 -9.229 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.897 -7.796 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.157 -8.782 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.638 -8.901 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.953 -8.494 -2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.016 -7.198 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.467 -6.492 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.122 -6.821 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.858 -5.820 -2.826 1.00 0.00 H new ATOM 1630 N ARG A 107 6.533 -7.841 -5.651 1.00 0.00 N ATOM 1631 CA ARG A 107 7.972 -7.763 -5.841 1.00 0.00 C ATOM 1632 C ARG A 107 8.431 -6.304 -5.826 1.00 0.00 C ATOM 1633 O ARG A 107 9.510 -5.995 -5.324 1.00 0.00 O ATOM 1634 CB ARG A 107 8.388 -8.409 -7.165 1.00 0.00 C ATOM 1635 CG ARG A 107 9.826 -8.925 -7.095 1.00 0.00 C ATOM 1636 CD ARG A 107 10.099 -9.939 -8.207 1.00 0.00 C ATOM 1637 NE ARG A 107 11.550 -10.219 -8.292 1.00 0.00 N ATOM 1638 CZ ARG A 107 12.149 -10.765 -9.360 1.00 0.00 C ATOM 1639 NH1 ARG A 107 11.425 -11.093 -10.439 1.00 0.00 N ATOM 1640 NH2 ARG A 107 13.471 -10.983 -9.348 1.00 0.00 N ATOM 0 H ARG A 107 6.064 -8.539 -6.228 1.00 0.00 H new ATOM 0 HA ARG A 107 8.445 -8.304 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.713 -9.232 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 107 8.297 -7.683 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 107 10.521 -8.089 -7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 107 10.003 -9.388 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.553 -10.862 -8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.739 -9.552 -9.160 1.00 0.00 H new ATOM 0 HE ARG A 107 12.131 -9.982 -7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 107 10.419 -10.927 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 107 11.880 -11.508 -11.252 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.022 -10.734 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.927 -11.398 -10.160 1.00 0.00 H new ATOM 1654 N ALA A 108 7.589 -5.446 -6.384 1.00 0.00 N ATOM 1655 CA ALA A 108 7.895 -4.027 -6.440 1.00 0.00 C ATOM 1656 C ALA A 108 8.468 -3.579 -5.094 1.00 0.00 C ATOM 1657 O ALA A 108 9.352 -2.726 -5.044 1.00 0.00 O ATOM 1658 CB ALA A 108 6.637 -3.248 -6.828 1.00 0.00 C ATOM 0 H ALA A 108 6.695 -5.707 -6.801 1.00 0.00 H new ATOM 0 HA ALA A 108 8.649 -3.827 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.867 -2.183 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.289 -3.583 -7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.858 -3.422 -6.086 1.00 0.00 H new ATOM 1664 N TRP A 109 7.938 -4.173 -4.035 1.00 0.00 N ATOM 1665 CA TRP A 109 8.384 -3.846 -2.691 1.00 0.00 C ATOM 1666 C TRP A 109 9.399 -4.906 -2.259 1.00 0.00 C ATOM 1667 O TRP A 109 9.172 -5.631 -1.292 1.00 0.00 O ATOM 1668 CB TRP A 109 7.198 -3.728 -1.733 1.00 0.00 C ATOM 1669 CG TRP A 109 6.217 -2.610 -2.091 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.288 -1.313 -1.761 1.00 0.00 C ATOM 1671 CD2 TRP A 109 5.007 -2.742 -2.866 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.218 -0.603 -2.265 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.414 -1.500 -2.958 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.433 -3.875 -3.470 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.217 -1.272 -3.646 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 3.237 -3.631 -4.154 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.627 -2.386 -4.256 1.00 0.00 C ATOM 0 H TRP A 109 7.203 -4.879 -4.080 1.00 0.00 H new ATOM 0 HA TRP A 109 8.870 -2.871 -2.673 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.661 -4.677 -1.717 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.575 -3.558 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.083 -0.878 -1.174 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.048 0.396 -2.150 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.880 -4.856 -3.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.772 -0.290 -3.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.754 -4.468 -4.636 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.702 -2.278 -4.803 1.00 0.00 H new ATOM 1688 N VAL A 110 10.499 -4.963 -2.997 1.00 0.00 N ATOM 1689 CA VAL A 110 11.549 -5.922 -2.702 1.00 0.00 C ATOM 1690 C VAL A 110 11.736 -6.016 -1.187 1.00 0.00 C ATOM 1691 O VAL A 110 12.104 -7.069 -0.667 1.00 0.00 O ATOM 1692 CB VAL A 110 12.832 -5.536 -3.440 1.00 0.00 C ATOM 1693 CG1 VAL A 110 14.010 -6.400 -2.981 1.00 0.00 C ATOM 1694 CG2 VAL A 110 12.642 -5.627 -4.956 1.00 0.00 C ATOM 0 H VAL A 110 10.685 -4.360 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 110 11.271 -6.914 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 110 13.061 -4.499 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.910 -6.105 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.167 -6.262 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.793 -7.449 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.569 -5.347 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.376 -6.648 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.845 -4.950 -5.264 1.00 0.00 H new ATOM 1704 N ALA A 111 11.475 -4.902 -0.519 1.00 0.00 N ATOM 1705 CA ALA A 111 11.610 -4.846 0.926 1.00 0.00 C ATOM 1706 C ALA A 111 10.978 -6.096 1.542 1.00 0.00 C ATOM 1707 O ALA A 111 11.601 -6.772 2.361 1.00 0.00 O ATOM 1708 CB ALA A 111 10.977 -3.555 1.449 1.00 0.00 C ATOM 0 H ALA A 111 11.170 -4.030 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 111 12.662 -4.833 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.078 -3.513 2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.481 -2.697 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.920 -3.534 1.182 1.00 0.00 H new ATOM 1714 N TRP A 112 9.750 -6.367 1.125 1.00 0.00 N ATOM 1715 CA TRP A 112 9.027 -7.523 1.626 1.00 0.00 C ATOM 1716 C TRP A 112 9.870 -8.767 1.338 1.00 0.00 C ATOM 1717 O TRP A 112 9.948 -9.674 2.165 1.00 0.00 O ATOM 1718 CB TRP A 112 7.625 -7.598 1.020 1.00 0.00 C ATOM 1719 CG TRP A 112 7.193 -9.011 0.621 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.390 -9.848 1.290 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.578 -9.721 -0.575 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.229 -11.041 0.617 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.975 -10.962 -0.554 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.409 -9.329 -1.640 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 7.137 -11.911 -1.570 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.561 -10.288 -2.648 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.960 -11.542 -2.641 1.00 0.00 C ATOM 0 H TRP A 112 9.237 -5.805 0.445 1.00 0.00 H new ATOM 0 HA TRP A 112 8.874 -7.446 2.703 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.908 -7.199 1.738 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.586 -6.955 0.140 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.926 -9.618 2.238 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.666 -11.835 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.892 -8.364 -1.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.653 -12.876 -1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 9.189 -10.037 -3.490 1.00 0.00 H new ATOM 0 HH2 TRP A 112 8.127 -12.228 -3.458 1.00 0.00 H new ATOM 1738 N ARG A 113 10.480 -8.772 0.162 1.00 0.00 N ATOM 1739 CA ARG A 113 11.314 -9.889 -0.246 1.00 0.00 C ATOM 1740 C ARG A 113 12.513 -10.027 0.693 1.00 0.00 C ATOM 1741 O ARG A 113 13.183 -11.059 0.704 1.00 0.00 O ATOM 1742 CB ARG A 113 11.815 -9.709 -1.680 1.00 0.00 C ATOM 1743 CG ARG A 113 12.319 -11.034 -2.255 1.00 0.00 C ATOM 1744 CD ARG A 113 13.828 -10.984 -2.506 1.00 0.00 C ATOM 1745 NE ARG A 113 14.207 -11.993 -3.520 1.00 0.00 N ATOM 1746 CZ ARG A 113 14.291 -13.308 -3.275 1.00 0.00 C ATOM 1747 NH1 ARG A 113 14.025 -13.780 -2.051 1.00 0.00 N ATOM 1748 NH2 ARG A 113 14.643 -14.150 -4.257 1.00 0.00 N ATOM 0 H ARG A 113 10.413 -8.019 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 113 10.705 -10.792 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 113 11.010 -9.320 -2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.617 -8.972 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.088 -11.845 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.799 -11.251 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.115 -9.989 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.366 -11.171 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 113 14.417 -11.668 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.758 -13.139 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.089 -14.781 -1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.847 -13.790 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.707 -15.151 -4.072 1.00 0.00 H new ATOM 1762 N ALA A 114 12.748 -8.972 1.459 1.00 0.00 N ATOM 1763 CA ALA A 114 13.855 -8.962 2.400 1.00 0.00 C ATOM 1764 C ALA A 114 13.329 -8.631 3.798 1.00 0.00 C ATOM 1765 O ALA A 114 14.034 -8.026 4.604 1.00 0.00 O ATOM 1766 CB ALA A 114 14.919 -7.969 1.927 1.00 0.00 C ATOM 0 H ALA A 114 12.191 -8.118 1.447 1.00 0.00 H new ATOM 0 HA ALA A 114 14.325 -9.944 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.749 -7.962 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.282 -8.266 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.485 -6.971 1.867 1.00 0.00 H new ATOM 1772 N HIS A 115 12.093 -9.040 4.042 1.00 0.00 N ATOM 1773 CA HIS A 115 11.463 -8.794 5.328 1.00 0.00 C ATOM 1774 C HIS A 115 10.447 -9.900 5.623 1.00 0.00 C ATOM 1775 O HIS A 115 10.433 -10.460 6.717 1.00 0.00 O ATOM 1776 CB HIS A 115 10.847 -7.395 5.372 1.00 0.00 C ATOM 1777 CG HIS A 115 11.157 -6.626 6.635 1.00 0.00 C ATOM 1778 ND1 HIS A 115 10.172 -6.093 7.449 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.349 -6.308 7.215 1.00 0.00 C ATOM 1780 CE1 HIS A 115 10.758 -5.483 8.469 1.00 0.00 C ATOM 1781 NE2 HIS A 115 12.108 -5.616 8.321 1.00 0.00 N ATOM 0 H HIS A 115 11.511 -9.540 3.371 1.00 0.00 H new ATOM 0 HA HIS A 115 12.215 -8.821 6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.205 -6.825 4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.765 -7.482 5.268 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.325 -6.575 6.838 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.255 -4.970 9.276 1.00 0.00 H new ATOM 0 HE2 HIS A 115 12.815 -5.245 8.956 1.00 0.00 H new ATOM 1790 N CYS A 116 9.621 -10.181 4.626 1.00 0.00 N ATOM 1791 CA CYS A 116 8.605 -11.209 4.763 1.00 0.00 C ATOM 1792 C CYS A 116 9.209 -12.544 4.327 1.00 0.00 C ATOM 1793 O CYS A 116 9.163 -13.523 5.069 1.00 0.00 O ATOM 1794 CB CYS A 116 7.343 -10.867 3.969 1.00 0.00 C ATOM 1795 SG CYS A 116 5.880 -10.458 4.990 1.00 0.00 S ATOM 0 H CYS A 116 9.635 -9.714 3.719 1.00 0.00 H new ATOM 0 HA CYS A 116 8.292 -11.277 5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.560 -10.022 3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.095 -11.712 3.326 1.00 0.00 H new ATOM 1800 N GLN A 117 9.763 -12.541 3.123 1.00 0.00 N ATOM 1801 CA GLN A 117 10.377 -13.741 2.577 1.00 0.00 C ATOM 1802 C GLN A 117 11.726 -14.000 3.252 1.00 0.00 C ATOM 1803 O GLN A 117 12.749 -14.110 2.580 1.00 0.00 O ATOM 1804 CB GLN A 117 10.533 -13.635 1.060 1.00 0.00 C ATOM 1805 CG GLN A 117 9.584 -14.596 0.342 1.00 0.00 C ATOM 1806 CD GLN A 117 10.356 -15.753 -0.298 1.00 0.00 C ATOM 1807 OE1 GLN A 117 11.422 -16.145 0.150 1.00 0.00 O ATOM 1808 NE2 GLN A 117 9.760 -16.275 -1.365 1.00 0.00 N ATOM 0 H GLN A 117 9.800 -11.727 2.510 1.00 0.00 H new ATOM 0 HA GLN A 117 9.722 -14.588 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.331 -12.613 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.563 -13.859 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.854 -14.989 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.027 -14.058 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.868 -15.898 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.194 -17.052 -1.863 1.00 0.00 H new ATOM 1817 N ASN A 118 11.683 -14.089 4.573 1.00 0.00 N ATOM 1818 CA ASN A 118 12.889 -14.334 5.346 1.00 0.00 C ATOM 1819 C ASN A 118 12.563 -15.271 6.511 1.00 0.00 C ATOM 1820 O ASN A 118 13.088 -16.380 6.586 1.00 0.00 O ATOM 1821 CB ASN A 118 13.444 -13.032 5.928 1.00 0.00 C ATOM 1822 CG ASN A 118 14.973 -13.015 5.873 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.650 -13.822 6.487 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.476 -12.052 5.106 1.00 0.00 N ATOM 0 H ASN A 118 10.832 -13.996 5.128 1.00 0.00 H new ATOM 0 HA ASN A 118 13.630 -14.778 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.047 -12.183 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.112 -12.920 6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.486 -11.956 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 118 14.851 -11.409 4.619 1.00 0.00 H new ATOM 1831 N ARG A 119 11.697 -14.789 7.390 1.00 0.00 N ATOM 1832 CA ARG A 119 11.293 -15.570 8.548 1.00 0.00 C ATOM 1833 C ARG A 119 9.770 -15.711 8.589 1.00 0.00 C ATOM 1834 O ARG A 119 9.085 -15.360 7.630 1.00 0.00 O ATOM 1835 CB ARG A 119 11.773 -14.919 9.846 1.00 0.00 C ATOM 1836 CG ARG A 119 12.135 -15.976 10.890 1.00 0.00 C ATOM 1837 CD ARG A 119 11.494 -15.655 12.242 1.00 0.00 C ATOM 1838 NE ARG A 119 12.538 -15.561 13.287 1.00 0.00 N ATOM 1839 CZ ARG A 119 12.310 -15.742 14.595 1.00 0.00 C ATOM 1840 NH1 ARG A 119 11.074 -16.026 15.027 1.00 0.00 N ATOM 1841 NH2 ARG A 119 13.319 -15.638 15.472 1.00 0.00 N ATOM 0 H ARG A 119 11.264 -13.868 7.324 1.00 0.00 H new ATOM 0 HA ARG A 119 11.750 -16.556 8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.641 -14.292 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.993 -14.267 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.803 -16.957 10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 119 13.218 -16.027 11.000 1.00 0.00 H new ATOM 0 HD2 ARG A 119 10.945 -14.716 12.180 1.00 0.00 H new ATOM 0 HD3 ARG A 119 10.773 -16.429 12.505 1.00 0.00 H new ATOM 0 HE ARG A 119 13.491 -15.345 12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.306 -16.105 14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.901 -16.164 16.023 1.00 0.00 H new ATOM 0 HH21 ARG A 119 14.260 -15.421 15.143 1.00 0.00 H new ATOM 0 HH22 ARG A 119 13.146 -15.776 16.468 1.00 0.00 H new ATOM 1855 N ASP A 120 9.285 -16.225 9.710 1.00 0.00 N ATOM 1856 CA ASP A 120 7.855 -16.416 9.889 1.00 0.00 C ATOM 1857 C ASP A 120 7.246 -15.146 10.485 1.00 0.00 C ATOM 1858 O ASP A 120 7.334 -14.917 11.690 1.00 0.00 O ATOM 1859 CB ASP A 120 7.571 -17.573 10.849 1.00 0.00 C ATOM 1860 CG ASP A 120 6.118 -18.048 10.875 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.262 -17.236 11.291 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.893 -19.212 10.479 1.00 0.00 O ATOM 0 H ASP A 120 9.857 -16.515 10.503 1.00 0.00 H new ATOM 0 HA ASP A 120 7.419 -16.640 8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.208 -18.415 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.856 -17.268 11.856 1.00 0.00 H new ATOM 1867 N LEU A 121 6.641 -14.353 9.612 1.00 0.00 N ATOM 1868 CA LEU A 121 6.017 -13.112 10.037 1.00 0.00 C ATOM 1869 C LEU A 121 4.505 -13.317 10.144 1.00 0.00 C ATOM 1870 O LEU A 121 3.741 -12.353 10.126 1.00 0.00 O ATOM 1871 CB LEU A 121 6.417 -11.965 9.107 1.00 0.00 C ATOM 1872 CG LEU A 121 6.237 -10.552 9.668 1.00 0.00 C ATOM 1873 CD1 LEU A 121 6.919 -10.412 11.030 1.00 0.00 C ATOM 1874 CD2 LEU A 121 6.727 -9.500 8.671 1.00 0.00 C ATOM 0 H LEU A 121 6.570 -14.546 8.613 1.00 0.00 H new ATOM 0 HA LEU A 121 6.372 -12.827 11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.464 -12.095 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.834 -12.047 8.190 1.00 0.00 H new ATOM 0 HG LEU A 121 5.172 -10.379 9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 121 6.776 -9.399 11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 121 6.483 -11.124 11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.985 -10.613 10.925 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.588 -8.505 9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 121 7.785 -9.661 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.158 -9.583 7.745 1.00 0.00 H new ATOM 1886 N SER A 122 4.117 -14.579 10.256 1.00 0.00 N ATOM 1887 CA SER A 122 2.711 -14.923 10.366 1.00 0.00 C ATOM 1888 C SER A 122 2.183 -14.530 11.748 1.00 0.00 C ATOM 1889 O SER A 122 0.987 -14.291 11.915 1.00 0.00 O ATOM 1890 CB SER A 122 2.487 -16.417 10.119 1.00 0.00 C ATOM 1891 OG SER A 122 1.203 -16.679 9.561 1.00 0.00 O ATOM 0 H SER A 122 4.753 -15.376 10.273 1.00 0.00 H new ATOM 0 HA SER A 122 2.164 -14.370 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.258 -16.793 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.591 -16.959 11.059 1.00 0.00 H new ATOM 0 HG SER A 122 1.099 -17.643 9.417 1.00 0.00 H new ATOM 1897 N GLN A 123 3.099 -14.475 12.703 1.00 0.00 N ATOM 1898 CA GLN A 123 2.741 -14.114 14.064 1.00 0.00 C ATOM 1899 C GLN A 123 2.437 -12.617 14.154 1.00 0.00 C ATOM 1900 O GLN A 123 1.899 -12.149 15.155 1.00 0.00 O ATOM 1901 CB GLN A 123 3.847 -14.510 15.045 1.00 0.00 C ATOM 1902 CG GLN A 123 3.369 -14.375 16.492 1.00 0.00 C ATOM 1903 CD GLN A 123 2.435 -15.527 16.871 1.00 0.00 C ATOM 1904 OE1 GLN A 123 1.337 -15.663 16.358 1.00 0.00 O ATOM 1905 NE2 GLN A 123 2.932 -16.344 17.794 1.00 0.00 N ATOM 0 H GLN A 123 4.089 -14.674 12.561 1.00 0.00 H new ATOM 0 HA GLN A 123 1.842 -14.664 14.341 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.156 -15.538 14.855 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.722 -13.879 14.887 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.228 -14.363 17.163 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.851 -13.425 16.620 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.859 -16.171 18.182 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.386 -17.144 18.114 1.00 0.00 H new ATOM 1914 N TYR A 124 2.797 -11.908 13.095 1.00 0.00 N ATOM 1915 CA TYR A 124 2.569 -10.474 13.041 1.00 0.00 C ATOM 1916 C TYR A 124 1.099 -10.162 12.756 1.00 0.00 C ATOM 1917 O TYR A 124 0.591 -9.120 13.166 1.00 0.00 O ATOM 1918 CB TYR A 124 3.423 -9.954 11.883 1.00 0.00 C ATOM 1919 CG TYR A 124 4.157 -8.647 12.189 1.00 0.00 C ATOM 1920 CD1 TYR A 124 4.819 -8.492 13.391 1.00 0.00 C ATOM 1921 CD2 TYR A 124 4.159 -7.623 11.264 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.510 -7.262 13.678 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.850 -6.393 11.552 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.491 -6.274 12.745 1.00 0.00 C ATOM 1925 OH TYR A 124 6.145 -5.112 13.017 1.00 0.00 O ATOM 0 H TYR A 124 3.245 -12.300 12.267 1.00 0.00 H new ATOM 0 HA TYR A 124 2.827 -10.009 13.992 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.155 -10.716 11.614 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.784 -9.805 11.012 1.00 0.00 H new ATOM 0 HD1 TYR A 124 4.818 -9.293 14.115 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.642 -7.744 10.324 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.032 -7.127 14.614 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.859 -5.584 10.837 1.00 0.00 H new ATOM 0 HH TYR A 124 7.015 -5.113 12.566 1.00 0.00 H new ATOM 1935 N ILE A 125 0.458 -11.084 12.053 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.945 -10.921 11.708 1.00 0.00 C ATOM 1937 C ILE A 125 -1.791 -11.857 12.573 1.00 0.00 C ATOM 1938 O ILE A 125 -2.934 -11.541 12.901 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.153 -11.117 10.204 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.735 -12.525 9.772 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.426 -10.034 9.405 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.868 -13.225 9.020 1.00 0.00 C ATOM 0 H ILE A 125 0.884 -11.946 11.713 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.274 -9.904 11.922 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.217 -11.016 9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.148 -12.467 9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.458 -13.111 10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.590 -10.196 8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.811 -9.054 9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.642 -10.079 9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.546 -14.223 8.724 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.741 -13.303 9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.126 -12.649 8.131 1.00 0.00 H new ATOM 1954 N ARG A 126 -1.198 -12.990 12.917 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.883 -13.974 13.738 1.00 0.00 C ATOM 1956 C ARG A 126 -1.866 -13.546 15.207 1.00 0.00 C ATOM 1957 O ARG A 126 -0.819 -13.178 15.737 1.00 0.00 O ATOM 1958 CB ARG A 126 -1.229 -15.351 13.608 1.00 0.00 C ATOM 1959 CG ARG A 126 -2.119 -16.440 14.210 1.00 0.00 C ATOM 1960 CD ARG A 126 -3.006 -17.077 13.138 1.00 0.00 C ATOM 1961 NE ARG A 126 -2.260 -18.141 12.430 1.00 0.00 N ATOM 1962 CZ ARG A 126 -2.595 -18.619 11.224 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -3.668 -18.132 10.585 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -1.859 -19.585 10.657 1.00 0.00 N ATOM 0 H ARG A 126 -0.250 -13.249 12.642 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.913 -14.038 13.387 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.041 -15.570 12.557 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.262 -15.347 14.111 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.499 -17.206 14.676 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.742 -16.013 14.996 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.903 -17.494 13.597 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.335 -16.318 12.428 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.439 -18.535 12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.229 -17.398 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.923 -18.496 9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.043 -19.957 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.115 -19.948 9.739 1.00 0.00 H new ATOM 1978 N ASN A 127 -3.038 -13.607 15.821 1.00 0.00 N ATOM 1979 CA ASN A 127 -3.171 -13.229 17.218 1.00 0.00 C ATOM 1980 C ASN A 127 -3.052 -11.709 17.345 1.00 0.00 C ATOM 1981 O ASN A 127 -2.722 -11.195 18.413 1.00 0.00 O ATOM 1982 CB ASN A 127 -2.067 -13.863 18.067 1.00 0.00 C ATOM 1983 CG ASN A 127 -2.423 -13.814 19.554 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -3.289 -13.072 19.988 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -1.708 -14.644 20.309 1.00 0.00 N ATOM 0 H ASN A 127 -3.904 -13.912 15.377 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.142 -13.577 17.571 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.916 -14.898 17.759 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.126 -13.339 17.897 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -1.870 -14.686 21.315 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.998 -15.239 19.882 1.00 0.00 H new ATOM 1992 N CYS A 128 -3.325 -11.032 16.240 1.00 0.00 N ATOM 1993 CA CYS A 128 -3.253 -9.581 16.214 1.00 0.00 C ATOM 1994 C CYS A 128 -4.619 -9.024 16.617 1.00 0.00 C ATOM 1995 O CYS A 128 -4.701 -7.994 17.284 1.00 0.00 O ATOM 1996 CB CYS A 128 -2.805 -9.062 14.846 1.00 0.00 C ATOM 1997 SG CYS A 128 -1.619 -7.669 14.903 1.00 0.00 S ATOM 0 H CYS A 128 -3.597 -11.461 15.356 1.00 0.00 H new ATOM 0 HA CYS A 128 -2.500 -9.239 16.924 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.352 -9.884 14.292 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.686 -8.748 14.286 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.658 -9.730 16.195 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.018 -9.320 16.505 1.00 0.00 C ATOM 2004 C GLY A 129 -8.035 -10.235 15.821 1.00 0.00 C ATOM 2005 O GLY A 129 -9.108 -10.492 16.365 1.00 0.00 O ATOM 0 H GLY A 129 -5.586 -10.583 15.641 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.171 -9.342 17.584 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -7.174 -8.291 16.182 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.663 -10.702 14.638 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.531 -11.582 13.874 1.00 0.00 C ATOM 2011 C VAL A 130 -8.246 -13.034 14.263 1.00 0.00 C ATOM 2012 O VAL A 130 -7.725 -13.300 15.345 1.00 0.00 O ATOM 2013 CB VAL A 130 -8.356 -11.318 12.377 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -9.077 -12.382 11.546 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -8.838 -9.914 12.008 1.00 0.00 C ATOM 0 H VAL A 130 -6.772 -10.487 14.190 1.00 0.00 H new ATOM 0 HA VAL A 130 -9.577 -11.383 14.105 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.292 -11.377 12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.937 -12.172 10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.667 -13.365 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -10.141 -12.368 11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -8.702 -9.752 10.939 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -9.894 -9.814 12.259 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -8.261 -9.174 12.563 1.00 0.00 H new