USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 604 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 50 ASN : amide:sc= 0.589 K(o=-0.74,f=-5.7!) USER MOD Set 1.2: A 58 THR OG1 : rot -169:sc= -1.33 USER MOD Set 2.1: A 10 THR OG1 : rot 80:sc= -0.154 USER MOD Set 2.2: A 11 THR OG1 : rot 50:sc= 1.41 USER MOD Set 2.3: A 14 CYS SG : rot -32:sc= 0.887 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -2.17! USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0.22) USER MOD Single : A 22 THR OG1 : rot 100:sc= 0.932 USER MOD Single : A 25 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 27 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 31 TYR OH : rot 151:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.34) USER MOD Single : A 48 SER OG : rot -80:sc= 1.19 USER MOD Single : A 53 ASN : amide:sc= -0.523 K(o=-0.52,f=-2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0.35 (180deg=0.318) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -160:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 71 SER OG : rot -78:sc= 0.119 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00205) USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.06) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= -0.959 (180deg=-2.55!) USER MOD ----------------------------------------------------------------- ATOM 50 N ALA A 4 5.579 6.480 7.985 1.00 0.00 N ATOM 51 CA ALA A 4 4.618 5.726 7.242 1.00 0.00 C ATOM 52 C ALA A 4 5.149 5.528 5.851 1.00 0.00 C ATOM 53 O ALA A 4 5.039 6.423 5.005 1.00 0.00 O ATOM 54 CB ALA A 4 3.268 6.426 7.219 1.00 0.00 C ATOM 0 HA ALA A 4 4.462 4.758 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.558 5.829 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.903 6.545 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.374 7.406 6.755 1.00 0.00 H new ATOM 60 N ALA A 5 5.802 4.397 5.647 1.00 0.00 N ATOM 61 CA ALA A 5 6.406 4.058 4.366 1.00 0.00 C ATOM 62 C ALA A 5 5.344 3.993 3.284 1.00 0.00 C ATOM 63 O ALA A 5 5.444 4.666 2.248 1.00 0.00 O ATOM 64 CB ALA A 5 7.147 2.735 4.484 1.00 0.00 C ATOM 0 H ALA A 5 5.930 3.685 6.366 1.00 0.00 H new ATOM 0 HA ALA A 5 7.121 4.833 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.598 2.484 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.927 2.821 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.447 1.951 4.773 1.00 0.00 H new ATOM 70 N LEU A 6 4.331 3.207 3.540 1.00 0.00 N ATOM 71 CA LEU A 6 3.196 3.108 2.675 1.00 0.00 C ATOM 72 C LEU A 6 1.966 2.868 3.497 1.00 0.00 C ATOM 73 O LEU A 6 1.984 2.079 4.460 1.00 0.00 O ATOM 74 CB LEU A 6 3.326 2.027 1.576 1.00 0.00 C ATOM 75 CG LEU A 6 3.506 0.568 2.027 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.136 -0.363 0.903 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.938 0.298 2.450 1.00 0.00 C ATOM 0 H LEU A 6 4.275 2.612 4.367 1.00 0.00 H new ATOM 0 HA LEU A 6 3.128 4.057 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.436 2.077 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.175 2.290 0.945 1.00 0.00 H new ATOM 0 HG LEU A 6 2.853 0.396 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.265 -1.395 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.096 -0.199 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.779 -0.170 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.035 -0.741 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.607 0.488 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.202 0.954 3.280 1.00 0.00 H new ATOM 89 N THR A 7 0.941 3.563 3.163 1.00 0.00 N ATOM 90 CA THR A 7 -0.305 3.434 3.820 1.00 0.00 C ATOM 91 C THR A 7 -1.251 2.629 2.931 1.00 0.00 C ATOM 92 O THR A 7 -1.453 2.963 1.757 1.00 0.00 O ATOM 93 CB THR A 7 -0.904 4.819 4.100 1.00 0.00 C ATOM 94 OG1 THR A 7 0.110 5.656 4.688 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.068 4.706 5.070 1.00 0.00 C ATOM 0 H THR A 7 0.946 4.251 2.410 1.00 0.00 H new ATOM 0 HA THR A 7 -0.163 2.920 4.771 1.00 0.00 H new ATOM 0 HB THR A 7 -1.260 5.248 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.263 6.544 4.869 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.482 5.697 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.839 4.066 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.719 4.274 6.008 1.00 0.00 H new ATOM 103 N ILE A 8 -1.780 1.574 3.478 1.00 0.00 N ATOM 104 CA ILE A 8 -2.692 0.712 2.787 1.00 0.00 C ATOM 105 C ILE A 8 -4.124 1.185 2.966 1.00 0.00 C ATOM 106 O ILE A 8 -4.631 1.276 4.093 1.00 0.00 O ATOM 107 CB ILE A 8 -2.551 -0.773 3.256 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.257 -1.392 2.728 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.753 -1.614 2.855 1.00 0.00 C ATOM 110 CD1 ILE A 8 -1.043 -2.823 3.149 1.00 0.00 C ATOM 0 H ILE A 8 -1.585 1.283 4.436 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.438 0.755 1.728 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.510 -0.763 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.261 -1.342 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.414 -0.793 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.612 -2.638 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.654 -1.199 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.855 -1.609 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.104 -3.188 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.005 -2.880 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.865 -3.437 2.782 1.00 0.00 H new ATOM 122 N TYR A 9 -4.739 1.511 1.865 1.00 0.00 N ATOM 123 CA TYR A 9 -6.125 1.868 1.829 1.00 0.00 C ATOM 124 C TYR A 9 -6.915 0.709 1.275 1.00 0.00 C ATOM 125 O TYR A 9 -6.778 0.360 0.097 1.00 0.00 O ATOM 126 CB TYR A 9 -6.353 3.118 0.982 1.00 0.00 C ATOM 127 CG TYR A 9 -5.753 4.378 1.548 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.330 4.995 2.640 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.619 4.949 0.997 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.800 6.143 3.174 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.078 6.102 1.529 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.674 6.699 2.619 1.00 0.00 C ATOM 133 OH TYR A 9 -4.128 7.847 3.168 1.00 0.00 O ATOM 0 H TYR A 9 -4.282 1.536 0.953 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.458 2.093 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.938 2.948 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.426 3.266 0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.216 4.566 3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.152 4.487 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.268 6.608 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.190 6.535 1.092 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.334 8.108 2.657 1.00 0.00 H new ATOM 143 N THR A 10 -7.690 0.085 2.121 1.00 0.00 N ATOM 144 CA THR A 10 -8.481 -1.047 1.744 1.00 0.00 C ATOM 145 C THR A 10 -9.548 -1.260 2.830 1.00 0.00 C ATOM 146 O THR A 10 -9.625 -0.477 3.793 1.00 0.00 O ATOM 147 CB THR A 10 -7.578 -2.336 1.620 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.297 -3.419 1.009 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.079 -2.774 2.991 1.00 0.00 C ATOM 0 H THR A 10 -7.788 0.354 3.100 1.00 0.00 H new ATOM 0 HA THR A 10 -8.949 -0.869 0.776 1.00 0.00 H new ATOM 0 HB THR A 10 -6.728 -2.079 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.311 -3.295 0.037 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.458 -3.664 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.491 -1.972 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.930 -3.000 3.633 1.00 0.00 H new ATOM 157 N THR A 11 -10.333 -2.286 2.670 1.00 0.00 N ATOM 158 CA THR A 11 -11.311 -2.672 3.624 1.00 0.00 C ATOM 159 C THR A 11 -11.232 -4.180 3.820 1.00 0.00 C ATOM 160 O THR A 11 -10.809 -4.896 2.909 1.00 0.00 O ATOM 161 CB THR A 11 -12.733 -2.206 3.231 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.794 -1.837 1.820 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.166 -1.034 4.096 1.00 0.00 C ATOM 0 H THR A 11 -10.303 -2.888 1.847 1.00 0.00 H new ATOM 0 HA THR A 11 -11.099 -2.176 4.571 1.00 0.00 H new ATOM 0 HB THR A 11 -13.416 -3.039 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.405 -2.554 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.168 -0.719 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.169 -1.336 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.471 -0.205 3.960 1.00 0.00 H new ATOM 171 N SER A 12 -11.614 -4.646 4.989 1.00 0.00 N ATOM 172 CA SER A 12 -11.487 -6.048 5.401 1.00 0.00 C ATOM 173 C SER A 12 -12.141 -7.039 4.399 1.00 0.00 C ATOM 174 O SER A 12 -11.692 -8.178 4.259 1.00 0.00 O ATOM 175 CB SER A 12 -12.081 -6.210 6.817 1.00 0.00 C ATOM 176 OG SER A 12 -11.822 -7.492 7.377 1.00 0.00 O ATOM 0 H SER A 12 -12.034 -4.054 5.706 1.00 0.00 H new ATOM 0 HA SER A 12 -10.427 -6.301 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.667 -5.442 7.470 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.158 -6.047 6.776 1.00 0.00 H new ATOM 0 HG SER A 12 -12.217 -7.544 8.273 1.00 0.00 H new ATOM 182 N TRP A 13 -13.159 -6.596 3.688 1.00 0.00 N ATOM 183 CA TRP A 13 -13.859 -7.456 2.743 1.00 0.00 C ATOM 184 C TRP A 13 -13.096 -7.648 1.427 1.00 0.00 C ATOM 185 O TRP A 13 -13.414 -8.561 0.657 1.00 0.00 O ATOM 186 CB TRP A 13 -15.285 -6.945 2.474 1.00 0.00 C ATOM 187 CG TRP A 13 -15.363 -5.519 1.992 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.566 -4.426 2.763 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.252 -5.035 0.634 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.580 -3.298 1.992 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.393 -3.640 0.682 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.043 -5.644 -0.610 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -15.336 -2.839 -0.457 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -14.987 -4.850 -1.738 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.131 -3.462 -1.654 1.00 0.00 C ATOM 0 H TRP A 13 -13.523 -5.645 3.744 1.00 0.00 H new ATOM 0 HA TRP A 13 -13.922 -8.436 3.216 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -15.754 -7.591 1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.868 -7.037 3.390 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.698 -4.443 3.835 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.710 -2.348 2.340 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.928 -6.715 -0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.450 -1.767 -0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.829 -5.309 -2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.079 -2.870 -2.556 1.00 0.00 H new ATOM 206 N CYS A 14 -12.105 -6.810 1.174 1.00 0.00 N ATOM 207 CA CYS A 14 -11.343 -6.874 -0.063 1.00 0.00 C ATOM 208 C CYS A 14 -10.442 -8.110 -0.065 1.00 0.00 C ATOM 209 O CYS A 14 -9.564 -8.242 0.781 1.00 0.00 O ATOM 210 CB CYS A 14 -10.501 -5.607 -0.233 1.00 0.00 C ATOM 211 SG CYS A 14 -11.449 -4.058 -0.209 1.00 0.00 S ATOM 0 H CYS A 14 -11.807 -6.073 1.813 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.039 -6.946 -0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.755 -5.573 0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.959 -5.671 -1.177 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.632 -4.265 -0.708 1.00 0.00 H new ATOM 217 N GLY A 15 -10.668 -8.995 -1.018 1.00 0.00 N ATOM 218 CA GLY A 15 -9.911 -10.234 -1.124 1.00 0.00 C ATOM 219 C GLY A 15 -8.412 -10.024 -1.245 1.00 0.00 C ATOM 220 O GLY A 15 -7.628 -10.696 -0.584 1.00 0.00 O ATOM 0 H GLY A 15 -11.379 -8.878 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.113 -10.849 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.262 -10.791 -1.992 1.00 0.00 H new ATOM 224 N TYR A 16 -8.007 -9.065 -2.053 1.00 0.00 N ATOM 225 CA TYR A 16 -6.586 -8.807 -2.233 1.00 0.00 C ATOM 226 C TYR A 16 -5.934 -8.108 -1.042 1.00 0.00 C ATOM 227 O TYR A 16 -4.720 -7.982 -1.000 1.00 0.00 O ATOM 228 CB TYR A 16 -6.250 -8.115 -3.563 1.00 0.00 C ATOM 229 CG TYR A 16 -6.406 -9.004 -4.778 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.831 -10.267 -4.813 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.123 -8.584 -5.886 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.974 -11.085 -5.911 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.268 -9.396 -6.989 1.00 0.00 C ATOM 234 CZ TYR A 16 -6.695 -10.648 -6.993 1.00 0.00 C ATOM 235 OH TYR A 16 -6.852 -11.471 -8.086 1.00 0.00 O ATOM 0 H TYR A 16 -8.627 -8.458 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.137 -9.799 -2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.893 -7.243 -3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.223 -7.751 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.261 -10.614 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.576 -7.604 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.521 -12.065 -5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.828 -9.053 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.389 -11.013 -8.766 1.00 0.00 H new ATOM 245 N CYS A 17 -6.735 -7.680 -0.067 1.00 0.00 N ATOM 246 CA CYS A 17 -6.202 -7.048 1.132 1.00 0.00 C ATOM 247 C CYS A 17 -5.344 -8.056 1.889 1.00 0.00 C ATOM 248 O CYS A 17 -4.122 -7.920 1.973 1.00 0.00 O ATOM 249 CB CYS A 17 -7.350 -6.568 2.035 1.00 0.00 C ATOM 250 SG CYS A 17 -6.843 -6.008 3.678 1.00 0.00 S ATOM 0 H CYS A 17 -7.752 -7.760 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.597 -6.187 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.870 -5.752 1.534 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.067 -7.381 2.149 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.889 -5.626 4.348 1.00 0.00 H new ATOM 256 N LEU A 18 -5.988 -9.115 2.322 1.00 0.00 N ATOM 257 CA LEU A 18 -5.372 -10.176 3.095 1.00 0.00 C ATOM 258 C LEU A 18 -4.412 -11.018 2.261 1.00 0.00 C ATOM 259 O LEU A 18 -3.527 -11.704 2.789 1.00 0.00 O ATOM 260 CB LEU A 18 -6.464 -11.006 3.799 1.00 0.00 C ATOM 261 CG LEU A 18 -7.672 -11.448 2.943 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.320 -12.539 1.959 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.827 -11.852 3.819 1.00 0.00 C ATOM 0 H LEU A 18 -6.980 -9.269 2.143 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.747 -9.731 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.996 -11.900 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.840 -10.425 4.641 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.975 -10.585 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.206 -12.811 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.544 -12.182 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.956 -13.413 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.666 -12.159 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.526 -12.682 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.126 -11.007 4.439 1.00 0.00 H new ATOM 275 N ARG A 19 -4.597 -10.967 0.962 1.00 0.00 N ATOM 276 CA ARG A 19 -3.741 -11.670 0.044 1.00 0.00 C ATOM 277 C ARG A 19 -2.378 -10.989 -0.029 1.00 0.00 C ATOM 278 O ARG A 19 -1.348 -11.658 -0.069 1.00 0.00 O ATOM 279 CB ARG A 19 -4.387 -11.738 -1.353 1.00 0.00 C ATOM 280 CG ARG A 19 -3.573 -12.454 -2.454 1.00 0.00 C ATOM 281 CD ARG A 19 -3.286 -13.926 -2.141 1.00 0.00 C ATOM 282 NE ARG A 19 -2.327 -14.098 -1.036 1.00 0.00 N ATOM 283 CZ ARG A 19 -2.072 -15.240 -0.416 1.00 0.00 C ATOM 284 NH1 ARG A 19 -2.624 -16.376 -0.842 1.00 0.00 N ATOM 285 NH2 ARG A 19 -1.244 -15.256 0.622 1.00 0.00 N ATOM 0 H ARG A 19 -5.345 -10.437 0.516 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.603 -12.689 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.350 -12.240 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.589 -10.720 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.117 -12.390 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.628 -11.930 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.220 -14.427 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.895 -14.413 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.819 -13.271 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.247 -16.369 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.424 -17.252 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.807 -14.391 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.045 -16.134 1.102 1.00 0.00 H new ATOM 299 N LEU A 20 -2.375 -9.675 0.000 1.00 0.00 N ATOM 300 CA LEU A 20 -1.146 -8.927 -0.130 1.00 0.00 C ATOM 301 C LEU A 20 -0.417 -8.783 1.223 1.00 0.00 C ATOM 302 O LEU A 20 0.811 -8.611 1.264 1.00 0.00 O ATOM 303 CB LEU A 20 -1.428 -7.554 -0.740 1.00 0.00 C ATOM 304 CG LEU A 20 -0.207 -6.691 -1.041 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.675 -7.309 -2.120 1.00 0.00 C ATOM 306 CD2 LEU A 20 -0.601 -5.261 -1.378 1.00 0.00 C ATOM 0 H LEU A 20 -3.211 -9.102 0.113 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.486 -9.483 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.984 -7.698 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.078 -7.003 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 20 0.391 -6.652 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.533 -6.662 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.023 -8.288 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.101 -7.420 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.295 -4.676 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.248 -5.259 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.133 -4.822 -0.534 1.00 0.00 H new ATOM 318 N LYS A 21 -1.176 -8.882 2.321 1.00 0.00 N ATOM 319 CA LYS A 21 -0.625 -8.758 3.692 1.00 0.00 C ATOM 320 C LYS A 21 0.535 -9.721 3.926 1.00 0.00 C ATOM 321 O LYS A 21 1.570 -9.342 4.486 1.00 0.00 O ATOM 322 CB LYS A 21 -1.713 -9.026 4.743 1.00 0.00 C ATOM 323 CG LYS A 21 -2.870 -8.047 4.720 1.00 0.00 C ATOM 324 CD LYS A 21 -2.467 -6.658 5.184 1.00 0.00 C ATOM 325 CE LYS A 21 -3.619 -5.688 5.021 1.00 0.00 C ATOM 326 NZ LYS A 21 -3.387 -4.412 5.712 1.00 0.00 N ATOM 0 H LYS A 21 -2.182 -9.049 2.294 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.258 -7.737 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.103 -10.033 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.256 -9.005 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.270 -7.986 3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.671 -8.421 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.158 -6.693 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.608 -6.311 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.781 -5.498 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.531 -6.145 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.298 -3.945 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.902 -4.589 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.796 -3.797 5.117 1.00 0.00 H new ATOM 340 N THR A 22 0.377 -10.940 3.465 1.00 0.00 N ATOM 341 CA THR A 22 1.372 -11.968 3.653 1.00 0.00 C ATOM 342 C THR A 22 2.645 -11.663 2.858 1.00 0.00 C ATOM 343 O THR A 22 3.760 -11.860 3.346 1.00 0.00 O ATOM 344 CB THR A 22 0.793 -13.344 3.255 1.00 0.00 C ATOM 345 OG1 THR A 22 0.254 -13.278 1.916 1.00 0.00 O ATOM 346 CG2 THR A 22 -0.314 -13.746 4.218 1.00 0.00 C ATOM 0 H THR A 22 -0.447 -11.247 2.948 1.00 0.00 H new ATOM 0 HA THR A 22 1.643 -11.992 4.708 1.00 0.00 H new ATOM 0 HB THR A 22 1.592 -14.084 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.899 -13.659 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.714 -14.717 3.927 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.088 -13.807 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.110 -13.002 4.188 1.00 0.00 H new ATOM 354 N ALA A 23 2.461 -11.108 1.669 1.00 0.00 N ATOM 355 CA ALA A 23 3.559 -10.804 0.776 1.00 0.00 C ATOM 356 C ALA A 23 4.427 -9.704 1.347 1.00 0.00 C ATOM 357 O ALA A 23 5.662 -9.801 1.337 1.00 0.00 O ATOM 358 CB ALA A 23 3.034 -10.419 -0.597 1.00 0.00 C ATOM 0 H ALA A 23 1.544 -10.857 1.300 1.00 0.00 H new ATOM 0 HA ALA A 23 4.174 -11.698 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.872 -10.193 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.458 -11.247 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.395 -9.541 -0.509 1.00 0.00 H new ATOM 364 N LEU A 24 3.788 -8.673 1.875 1.00 0.00 N ATOM 365 CA LEU A 24 4.506 -7.557 2.470 1.00 0.00 C ATOM 366 C LEU A 24 5.269 -8.008 3.710 1.00 0.00 C ATOM 367 O LEU A 24 6.430 -7.647 3.896 1.00 0.00 O ATOM 368 CB LEU A 24 3.564 -6.400 2.823 1.00 0.00 C ATOM 369 CG LEU A 24 2.790 -5.712 1.680 1.00 0.00 C ATOM 370 CD1 LEU A 24 1.888 -4.641 2.252 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.726 -5.078 0.664 1.00 0.00 C ATOM 0 H LEU A 24 2.772 -8.585 1.904 1.00 0.00 H new ATOM 0 HA LEU A 24 5.217 -7.196 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.834 -6.773 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.152 -5.637 3.333 1.00 0.00 H new ATOM 0 HG LEU A 24 2.203 -6.477 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.342 -4.155 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.181 -5.094 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.491 -3.901 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.141 -4.604 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.344 -4.328 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.365 -5.846 0.229 1.00 0.00 H new ATOM 383 N THR A 25 4.623 -8.817 4.526 1.00 0.00 N ATOM 384 CA THR A 25 5.218 -9.330 5.742 1.00 0.00 C ATOM 385 C THR A 25 6.446 -10.214 5.429 1.00 0.00 C ATOM 386 O THR A 25 7.516 -10.032 6.015 1.00 0.00 O ATOM 387 CB THR A 25 4.163 -10.118 6.538 1.00 0.00 C ATOM 388 OG1 THR A 25 3.022 -9.267 6.736 1.00 0.00 O ATOM 389 CG2 THR A 25 4.701 -10.565 7.895 1.00 0.00 C ATOM 0 H THR A 25 3.668 -9.137 4.363 1.00 0.00 H new ATOM 0 HA THR A 25 5.565 -8.491 6.346 1.00 0.00 H new ATOM 0 HB THR A 25 3.894 -11.013 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.459 -9.282 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.928 -11.118 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.570 -11.206 7.749 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.989 -9.690 8.478 1.00 0.00 H new ATOM 397 N ALA A 26 6.299 -11.119 4.458 1.00 0.00 N ATOM 398 CA ALA A 26 7.390 -12.011 4.047 1.00 0.00 C ATOM 399 C ALA A 26 8.580 -11.214 3.510 1.00 0.00 C ATOM 400 O ALA A 26 9.745 -11.601 3.684 1.00 0.00 O ATOM 401 CB ALA A 26 6.897 -12.993 2.996 1.00 0.00 C ATOM 0 H ALA A 26 5.432 -11.255 3.939 1.00 0.00 H new ATOM 0 HA ALA A 26 7.723 -12.566 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.715 -13.649 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.084 -13.590 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.538 -12.444 2.125 1.00 0.00 H new ATOM 407 N ASN A 27 8.280 -10.083 2.895 1.00 0.00 N ATOM 408 CA ASN A 27 9.300 -9.222 2.320 1.00 0.00 C ATOM 409 C ASN A 27 9.779 -8.157 3.291 1.00 0.00 C ATOM 410 O ASN A 27 10.490 -7.219 2.895 1.00 0.00 O ATOM 411 CB ASN A 27 8.842 -8.613 0.993 1.00 0.00 C ATOM 412 CG ASN A 27 8.910 -9.613 -0.151 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.920 -9.700 -0.875 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.865 -10.378 -0.321 1.00 0.00 N ATOM 0 H ASN A 27 7.328 -9.737 2.780 1.00 0.00 H new ATOM 0 HA ASN A 27 10.160 -9.858 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.819 -8.250 1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.465 -7.750 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.859 -11.075 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.055 -10.279 0.291 1.00 0.00 H new ATOM 421 N ARG A 28 9.391 -8.307 4.576 1.00 0.00 N ATOM 422 CA ARG A 28 9.848 -7.432 5.680 1.00 0.00 C ATOM 423 C ARG A 28 9.475 -5.973 5.427 1.00 0.00 C ATOM 424 O ARG A 28 10.185 -5.054 5.855 1.00 0.00 O ATOM 425 CB ARG A 28 11.373 -7.553 5.845 1.00 0.00 C ATOM 426 CG ARG A 28 11.857 -8.955 6.165 1.00 0.00 C ATOM 427 CD ARG A 28 13.372 -9.040 6.132 1.00 0.00 C ATOM 428 NE ARG A 28 13.913 -8.694 4.814 1.00 0.00 N ATOM 429 CZ ARG A 28 15.024 -9.194 4.274 1.00 0.00 C ATOM 430 NH1 ARG A 28 15.792 -10.057 4.951 1.00 0.00 N ATOM 431 NH2 ARG A 28 15.372 -8.821 3.048 1.00 0.00 N ATOM 0 H ARG A 28 8.750 -9.040 4.879 1.00 0.00 H new ATOM 0 HA ARG A 28 9.350 -7.757 6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.854 -7.216 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.695 -6.880 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.496 -9.250 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.436 -9.659 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.789 -8.369 6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.684 -10.050 6.398 1.00 0.00 H new ATOM 0 HE ARG A 28 13.394 -8.011 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.530 -10.341 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.639 -10.430 4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.792 -8.160 2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.220 -9.196 2.622 1.00 0.00 H new ATOM 445 N ILE A 29 8.367 -5.765 4.769 1.00 0.00 N ATOM 446 CA ILE A 29 7.939 -4.436 4.428 1.00 0.00 C ATOM 447 C ILE A 29 7.120 -3.848 5.563 1.00 0.00 C ATOM 448 O ILE A 29 6.218 -4.501 6.103 1.00 0.00 O ATOM 449 CB ILE A 29 7.120 -4.420 3.112 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.948 -5.063 1.980 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.745 -2.978 2.754 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.216 -5.251 0.679 1.00 0.00 C ATOM 0 H ILE A 29 7.740 -6.506 4.456 1.00 0.00 H new ATOM 0 HA ILE A 29 8.829 -3.827 4.271 1.00 0.00 H new ATOM 0 HB ILE A 29 6.203 -4.994 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.827 -4.445 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.307 -6.034 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.169 -2.971 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.146 -2.548 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.652 -2.388 2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.883 -5.709 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.353 -5.897 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.881 -4.283 0.307 1.00 0.00 H new ATOM 464 N ALA A 30 7.467 -2.654 5.947 1.00 0.00 N ATOM 465 CA ALA A 30 6.785 -1.943 6.986 1.00 0.00 C ATOM 466 C ALA A 30 5.707 -1.090 6.364 1.00 0.00 C ATOM 467 O ALA A 30 5.988 -0.284 5.479 1.00 0.00 O ATOM 468 CB ALA A 30 7.772 -1.069 7.711 1.00 0.00 C ATOM 0 H ALA A 30 8.247 -2.139 5.538 1.00 0.00 H new ATOM 0 HA ALA A 30 6.336 -2.642 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.261 -0.524 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.557 -1.689 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.214 -0.361 7.010 1.00 0.00 H new ATOM 474 N TYR A 31 4.494 -1.260 6.800 1.00 0.00 N ATOM 475 CA TYR A 31 3.396 -0.521 6.234 1.00 0.00 C ATOM 476 C TYR A 31 2.410 -0.127 7.299 1.00 0.00 C ATOM 477 O TYR A 31 2.402 -0.694 8.387 1.00 0.00 O ATOM 478 CB TYR A 31 2.697 -1.338 5.132 1.00 0.00 C ATOM 479 CG TYR A 31 2.106 -2.671 5.585 1.00 0.00 C ATOM 480 CD1 TYR A 31 2.860 -3.838 5.544 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.788 -2.760 6.022 1.00 0.00 C ATOM 482 CE1 TYR A 31 2.318 -5.050 5.928 1.00 0.00 C ATOM 483 CE2 TYR A 31 0.241 -3.967 6.400 1.00 0.00 C ATOM 484 CZ TYR A 31 1.009 -5.106 6.352 1.00 0.00 C ATOM 485 OH TYR A 31 0.453 -6.314 6.711 1.00 0.00 O ATOM 0 H TYR A 31 4.236 -1.904 7.547 1.00 0.00 H new ATOM 0 HA TYR A 31 3.799 0.387 5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.899 -0.732 4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.414 -1.530 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.885 -3.797 5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.183 -1.867 6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.917 -5.948 5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.785 -4.018 6.732 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.244 -6.166 7.384 1.00 0.00 H new ATOM 495 N ASP A 32 1.587 0.828 6.989 1.00 0.00 N ATOM 496 CA ASP A 32 0.550 1.259 7.894 1.00 0.00 C ATOM 497 C ASP A 32 -0.772 1.090 7.208 1.00 0.00 C ATOM 498 O ASP A 32 -0.907 1.422 6.042 1.00 0.00 O ATOM 499 CB ASP A 32 0.747 2.718 8.323 1.00 0.00 C ATOM 500 CG ASP A 32 -0.312 3.189 9.304 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.392 2.647 10.422 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.056 4.144 8.998 1.00 0.00 O ATOM 0 H ASP A 32 1.610 1.334 6.104 1.00 0.00 H new ATOM 0 HA ASP A 32 0.589 0.652 8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.732 2.829 8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.729 3.357 7.440 1.00 0.00 H new ATOM 507 N GLU A 33 -1.714 0.530 7.883 1.00 0.00 N ATOM 508 CA GLU A 33 -3.013 0.331 7.320 1.00 0.00 C ATOM 509 C GLU A 33 -4.026 1.166 8.066 1.00 0.00 C ATOM 510 O GLU A 33 -3.944 1.311 9.291 1.00 0.00 O ATOM 511 CB GLU A 33 -3.385 -1.154 7.328 1.00 0.00 C ATOM 512 CG GLU A 33 -3.358 -1.825 8.696 1.00 0.00 C ATOM 513 CD GLU A 33 -3.651 -3.290 8.598 1.00 0.00 C ATOM 514 OE1 GLU A 33 -2.717 -4.071 8.296 1.00 0.00 O ATOM 515 OE2 GLU A 33 -4.824 -3.698 8.742 1.00 0.00 O ATOM 0 H GLU A 33 -1.611 0.195 8.841 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.007 0.655 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.385 -1.263 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.701 -1.686 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.380 -1.679 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.090 -1.350 9.349 1.00 0.00 H new ATOM 522 N VAL A 34 -4.931 1.743 7.346 1.00 0.00 N ATOM 523 CA VAL A 34 -5.962 2.556 7.926 1.00 0.00 C ATOM 524 C VAL A 34 -7.258 2.174 7.240 1.00 0.00 C ATOM 525 O VAL A 34 -7.230 1.763 6.068 1.00 0.00 O ATOM 526 CB VAL A 34 -5.634 4.086 7.767 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.583 4.529 6.324 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.575 4.959 8.569 1.00 0.00 C ATOM 0 H VAL A 34 -4.981 1.666 6.330 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.042 2.383 8.999 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.632 4.215 8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.353 5.593 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.811 3.968 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.549 4.346 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.309 6.007 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.599 4.796 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.496 4.704 9.626 1.00 0.00 H new ATOM 538 N ASP A 35 -8.368 2.242 7.938 1.00 0.00 N ATOM 539 CA ASP A 35 -9.605 1.808 7.331 1.00 0.00 C ATOM 540 C ASP A 35 -10.205 2.912 6.493 1.00 0.00 C ATOM 541 O ASP A 35 -10.170 4.086 6.864 1.00 0.00 O ATOM 542 CB ASP A 35 -10.587 1.390 8.419 1.00 0.00 C ATOM 543 CG ASP A 35 -11.939 1.053 7.870 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.078 0.012 7.205 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.887 1.829 8.079 1.00 0.00 O ATOM 0 H ASP A 35 -8.442 2.582 8.897 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.397 0.958 6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.189 0.526 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.684 2.196 9.146 1.00 0.00 H new ATOM 550 N ILE A 36 -10.716 2.540 5.353 1.00 0.00 N ATOM 551 CA ILE A 36 -11.365 3.470 4.460 1.00 0.00 C ATOM 552 C ILE A 36 -12.846 3.678 4.745 1.00 0.00 C ATOM 553 O ILE A 36 -13.401 4.697 4.400 1.00 0.00 O ATOM 554 CB ILE A 36 -11.105 3.156 2.979 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.673 1.790 2.583 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.610 3.205 2.736 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.520 1.451 1.113 1.00 0.00 C ATOM 0 H ILE A 36 -10.696 1.579 5.012 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.889 4.427 4.673 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.611 3.898 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.179 1.019 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.731 1.761 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.404 2.984 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.234 4.199 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.115 2.467 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.949 0.468 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.039 2.197 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.462 1.444 0.849 1.00 0.00 H new ATOM 569 N GLU A 37 -13.478 2.713 5.388 1.00 0.00 N ATOM 570 CA GLU A 37 -14.920 2.739 5.547 1.00 0.00 C ATOM 571 C GLU A 37 -15.313 3.841 6.532 1.00 0.00 C ATOM 572 O GLU A 37 -16.263 4.605 6.295 1.00 0.00 O ATOM 573 CB GLU A 37 -15.420 1.379 6.042 1.00 0.00 C ATOM 574 CG GLU A 37 -16.864 1.073 5.685 1.00 0.00 C ATOM 575 CD GLU A 37 -17.042 0.904 4.193 1.00 0.00 C ATOM 576 OE1 GLU A 37 -16.699 -0.176 3.661 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.506 1.844 3.511 1.00 0.00 O ATOM 0 H GLU A 37 -13.018 1.905 5.807 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.382 2.948 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.783 0.598 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.310 1.338 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.181 0.164 6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.506 1.879 6.040 1.00 0.00 H new ATOM 584 N HIS A 38 -14.559 3.935 7.604 1.00 0.00 N ATOM 585 CA HIS A 38 -14.781 4.928 8.648 1.00 0.00 C ATOM 586 C HIS A 38 -14.270 6.313 8.197 1.00 0.00 C ATOM 587 O HIS A 38 -14.777 7.361 8.630 1.00 0.00 O ATOM 588 CB HIS A 38 -14.049 4.467 9.929 1.00 0.00 C ATOM 589 CG HIS A 38 -14.278 5.311 11.154 1.00 0.00 C ATOM 590 ND1 HIS A 38 -15.177 4.992 12.146 1.00 0.00 N ATOM 591 CD2 HIS A 38 -13.678 6.460 11.550 1.00 0.00 C ATOM 592 CE1 HIS A 38 -15.102 5.927 13.093 1.00 0.00 C ATOM 593 NE2 HIS A 38 -14.199 6.852 12.779 1.00 0.00 N ATOM 0 H HIS A 38 -13.765 3.321 7.784 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.849 5.020 8.848 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.356 3.445 10.152 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.979 4.441 9.724 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.915 6.989 10.998 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.695 5.933 13.995 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.943 7.675 13.324 1.00 0.00 H new ATOM 601 N ASN A 39 -13.302 6.303 7.314 1.00 0.00 N ATOM 602 CA ASN A 39 -12.647 7.517 6.843 1.00 0.00 C ATOM 603 C ASN A 39 -13.135 7.882 5.453 1.00 0.00 C ATOM 604 O ASN A 39 -12.599 7.403 4.448 1.00 0.00 O ATOM 605 CB ASN A 39 -11.124 7.323 6.849 1.00 0.00 C ATOM 606 CG ASN A 39 -10.529 7.253 8.247 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.939 7.971 9.156 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.623 6.339 8.452 1.00 0.00 N ATOM 0 H ASN A 39 -12.937 5.449 6.893 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.899 8.337 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.880 6.406 6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.658 8.145 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.236 6.205 9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.301 5.757 7.678 1.00 0.00 H new ATOM 615 N ARG A 40 -14.156 8.732 5.404 1.00 0.00 N ATOM 616 CA ARG A 40 -14.826 9.107 4.152 1.00 0.00 C ATOM 617 C ARG A 40 -13.855 9.668 3.112 1.00 0.00 C ATOM 618 O ARG A 40 -13.898 9.268 1.940 1.00 0.00 O ATOM 619 CB ARG A 40 -15.960 10.118 4.406 1.00 0.00 C ATOM 620 CG ARG A 40 -16.783 10.436 3.159 1.00 0.00 C ATOM 621 CD ARG A 40 -17.853 11.490 3.412 1.00 0.00 C ATOM 622 NE ARG A 40 -17.290 12.815 3.735 1.00 0.00 N ATOM 623 CZ ARG A 40 -17.927 13.991 3.541 1.00 0.00 C ATOM 624 NH1 ARG A 40 -19.153 14.022 3.033 1.00 0.00 N ATOM 625 NH2 ARG A 40 -17.332 15.129 3.859 1.00 0.00 N ATOM 0 H ARG A 40 -14.547 9.184 6.230 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.251 8.188 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.621 9.724 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.532 11.042 4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.117 10.783 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.257 9.523 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.487 11.576 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.491 11.162 4.233 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.352 12.846 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.624 13.152 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.624 14.916 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.391 15.120 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.815 16.015 3.712 1.00 0.00 H new ATOM 639 N ALA A 41 -12.960 10.545 3.543 1.00 0.00 N ATOM 640 CA ALA A 41 -12.036 11.192 2.625 1.00 0.00 C ATOM 641 C ALA A 41 -10.988 10.212 2.119 1.00 0.00 C ATOM 642 O ALA A 41 -10.519 10.319 0.984 1.00 0.00 O ATOM 643 CB ALA A 41 -11.387 12.410 3.266 1.00 0.00 C ATOM 0 H ALA A 41 -12.855 10.824 4.519 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.610 11.537 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.701 12.873 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.158 13.128 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.836 12.103 4.155 1.00 0.00 H new ATOM 649 N ALA A 42 -10.642 9.243 2.944 1.00 0.00 N ATOM 650 CA ALA A 42 -9.693 8.226 2.546 1.00 0.00 C ATOM 651 C ALA A 42 -10.331 7.311 1.525 1.00 0.00 C ATOM 652 O ALA A 42 -9.713 6.977 0.524 1.00 0.00 O ATOM 653 CB ALA A 42 -9.188 7.432 3.735 1.00 0.00 C ATOM 0 H ALA A 42 -11.004 9.140 3.892 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.829 8.720 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.478 6.679 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.695 8.103 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.027 6.942 4.229 1.00 0.00 H new ATOM 659 N ALA A 43 -11.591 6.943 1.773 1.00 0.00 N ATOM 660 CA ALA A 43 -12.361 6.103 0.858 1.00 0.00 C ATOM 661 C ALA A 43 -12.553 6.805 -0.470 1.00 0.00 C ATOM 662 O ALA A 43 -12.538 6.174 -1.530 1.00 0.00 O ATOM 663 CB ALA A 43 -13.708 5.750 1.457 1.00 0.00 C ATOM 0 H ALA A 43 -12.103 7.219 2.611 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.802 5.182 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.264 5.124 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.560 5.208 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.270 6.663 1.652 1.00 0.00 H new ATOM 669 N GLU A 44 -12.729 8.103 -0.404 1.00 0.00 N ATOM 670 CA GLU A 44 -12.876 8.930 -1.576 1.00 0.00 C ATOM 671 C GLU A 44 -11.575 8.887 -2.382 1.00 0.00 C ATOM 672 O GLU A 44 -11.581 8.655 -3.593 1.00 0.00 O ATOM 673 CB GLU A 44 -13.185 10.363 -1.143 1.00 0.00 C ATOM 674 CG GLU A 44 -13.575 11.283 -2.270 1.00 0.00 C ATOM 675 CD GLU A 44 -14.845 10.850 -2.931 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.926 11.191 -2.429 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.796 10.162 -3.961 1.00 0.00 O ATOM 0 H GLU A 44 -12.775 8.619 0.474 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.693 8.564 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.992 10.342 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.310 10.775 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.693 12.297 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.774 11.312 -3.008 1.00 0.00 H new ATOM 684 N PHE A 45 -10.474 9.065 -1.678 1.00 0.00 N ATOM 685 CA PHE A 45 -9.137 9.042 -2.247 1.00 0.00 C ATOM 686 C PHE A 45 -8.838 7.688 -2.906 1.00 0.00 C ATOM 687 O PHE A 45 -8.583 7.617 -4.100 1.00 0.00 O ATOM 688 CB PHE A 45 -8.112 9.356 -1.142 1.00 0.00 C ATOM 689 CG PHE A 45 -6.675 9.311 -1.569 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.135 10.331 -2.331 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.862 8.247 -1.204 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.814 10.298 -2.725 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.540 8.210 -1.593 1.00 0.00 C ATOM 694 CZ PHE A 45 -4.016 9.237 -2.355 1.00 0.00 C ATOM 0 H PHE A 45 -10.482 9.233 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.069 9.801 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.325 10.348 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.254 8.648 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.757 11.165 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.268 7.441 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.406 11.101 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.914 7.379 -1.302 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.981 9.208 -2.661 1.00 0.00 H new ATOM 704 N VAL A 46 -8.920 6.618 -2.133 1.00 0.00 N ATOM 705 CA VAL A 46 -8.623 5.280 -2.645 1.00 0.00 C ATOM 706 C VAL A 46 -9.616 4.852 -3.736 1.00 0.00 C ATOM 707 O VAL A 46 -9.250 4.156 -4.675 1.00 0.00 O ATOM 708 CB VAL A 46 -8.521 4.218 -1.502 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.748 4.179 -0.688 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.265 2.839 -2.018 1.00 0.00 C ATOM 0 H VAL A 46 -9.189 6.644 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.639 5.334 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.674 4.533 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.641 3.430 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.916 5.156 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.597 3.922 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.204 2.143 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.079 2.541 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.326 2.826 -2.571 1.00 0.00 H new ATOM 720 N GLY A 47 -10.846 5.317 -3.629 1.00 0.00 N ATOM 721 CA GLY A 47 -11.849 4.998 -4.608 1.00 0.00 C ATOM 722 C GLY A 47 -11.590 5.677 -5.933 1.00 0.00 C ATOM 723 O GLY A 47 -11.821 5.097 -6.985 1.00 0.00 O ATOM 0 H GLY A 47 -11.168 5.917 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.880 3.918 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.828 5.297 -4.234 1.00 0.00 H new ATOM 727 N SER A 48 -11.075 6.886 -5.888 1.00 0.00 N ATOM 728 CA SER A 48 -10.840 7.645 -7.096 1.00 0.00 C ATOM 729 C SER A 48 -9.518 7.283 -7.779 1.00 0.00 C ATOM 730 O SER A 48 -9.374 7.425 -8.998 1.00 0.00 O ATOM 731 CB SER A 48 -10.965 9.147 -6.821 1.00 0.00 C ATOM 732 OG SER A 48 -10.180 9.544 -5.706 1.00 0.00 O ATOM 0 H SER A 48 -10.811 7.365 -5.027 1.00 0.00 H new ATOM 0 HA SER A 48 -11.617 7.370 -7.810 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.653 9.706 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.010 9.398 -6.638 1.00 0.00 H new ATOM 0 HG SER A 48 -10.657 9.330 -4.877 1.00 0.00 H new ATOM 738 N VAL A 49 -8.565 6.802 -7.009 1.00 0.00 N ATOM 739 CA VAL A 49 -7.278 6.416 -7.576 1.00 0.00 C ATOM 740 C VAL A 49 -7.284 4.955 -8.007 1.00 0.00 C ATOM 741 O VAL A 49 -6.383 4.498 -8.710 1.00 0.00 O ATOM 742 CB VAL A 49 -6.106 6.664 -6.589 1.00 0.00 C ATOM 743 CG1 VAL A 49 -6.078 8.115 -6.173 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.211 5.773 -5.365 1.00 0.00 C ATOM 0 H VAL A 49 -8.649 6.668 -6.001 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.123 7.047 -8.451 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.177 6.417 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.252 8.279 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.944 8.743 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.018 8.372 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.374 5.974 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.148 5.977 -4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.187 4.728 -5.673 1.00 0.00 H new ATOM 754 N ASN A 50 -8.312 4.241 -7.601 1.00 0.00 N ATOM 755 CA ASN A 50 -8.434 2.815 -7.866 1.00 0.00 C ATOM 756 C ASN A 50 -8.765 2.585 -9.323 1.00 0.00 C ATOM 757 O ASN A 50 -9.174 3.520 -10.025 1.00 0.00 O ATOM 758 CB ASN A 50 -9.576 2.259 -7.058 1.00 0.00 C ATOM 759 CG ASN A 50 -9.186 1.020 -6.321 1.00 0.00 C ATOM 760 OD1 ASN A 50 -9.399 -0.110 -6.751 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.541 1.247 -5.266 1.00 0.00 N ATOM 0 H ASN A 50 -9.093 4.631 -7.074 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.492 2.332 -7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.918 3.011 -6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.415 2.040 -7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.165 0.471 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.394 2.207 -4.955 1.00 0.00 H new ATOM 768 N GLY A 51 -8.655 1.363 -9.776 1.00 0.00 N ATOM 769 CA GLY A 51 -8.993 1.063 -11.149 1.00 0.00 C ATOM 770 C GLY A 51 -10.484 0.816 -11.306 1.00 0.00 C ATOM 771 O GLY A 51 -10.907 -0.302 -11.612 1.00 0.00 O ATOM 0 H GLY A 51 -8.338 0.566 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.689 1.890 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.439 0.184 -11.479 1.00 0.00 H new ATOM 775 N GLY A 52 -11.266 1.845 -11.075 1.00 0.00 N ATOM 776 CA GLY A 52 -12.707 1.755 -11.166 1.00 0.00 C ATOM 777 C GLY A 52 -13.360 2.202 -9.879 1.00 0.00 C ATOM 778 O GLY A 52 -13.649 3.386 -9.703 1.00 0.00 O ATOM 0 H GLY A 52 -10.921 2.770 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.062 2.372 -11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.997 0.728 -11.388 1.00 0.00 H new ATOM 782 N ASN A 53 -13.581 1.284 -8.988 1.00 0.00 N ATOM 783 CA ASN A 53 -14.116 1.595 -7.672 1.00 0.00 C ATOM 784 C ASN A 53 -13.109 1.135 -6.665 1.00 0.00 C ATOM 785 O ASN A 53 -12.150 0.485 -7.038 1.00 0.00 O ATOM 786 CB ASN A 53 -15.480 0.897 -7.395 1.00 0.00 C ATOM 787 CG ASN A 53 -15.393 -0.627 -7.258 1.00 0.00 C ATOM 788 OD1 ASN A 53 -15.183 -1.150 -6.166 1.00 0.00 O ATOM 789 ND2 ASN A 53 -15.568 -1.338 -8.339 1.00 0.00 N ATOM 0 H ASN A 53 -13.399 0.292 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.298 2.668 -7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.906 1.308 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.169 1.138 -8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.532 -2.356 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.741 -0.875 -9.231 1.00 0.00 H new ATOM 796 N ARG A 54 -13.332 1.468 -5.410 1.00 0.00 N ATOM 797 CA ARG A 54 -12.488 1.073 -4.244 1.00 0.00 C ATOM 798 C ARG A 54 -12.488 -0.466 -4.009 1.00 0.00 C ATOM 799 O ARG A 54 -12.718 -0.941 -2.886 1.00 0.00 O ATOM 800 CB ARG A 54 -13.078 1.745 -3.004 1.00 0.00 C ATOM 801 CG ARG A 54 -14.582 1.491 -2.872 1.00 0.00 C ATOM 802 CD ARG A 54 -15.139 1.975 -1.571 1.00 0.00 C ATOM 803 NE ARG A 54 -14.696 1.135 -0.441 1.00 0.00 N ATOM 804 CZ ARG A 54 -15.306 1.068 0.761 1.00 0.00 C ATOM 805 NH1 ARG A 54 -16.277 1.928 1.082 1.00 0.00 N ATOM 806 NH2 ARG A 54 -14.915 0.171 1.653 1.00 0.00 N ATOM 0 H ARG A 54 -14.130 2.042 -5.138 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.461 1.380 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.569 1.374 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.895 2.818 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.103 1.986 -3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.776 0.423 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.827 3.006 -1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.228 1.976 -1.619 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.864 0.561 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.564 2.645 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.731 1.868 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.153 -0.469 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.376 0.121 2.561 1.00 0.00 H new ATOM 820 N THR A 55 -12.157 -1.208 -5.012 1.00 0.00 N ATOM 821 CA THR A 55 -12.220 -2.630 -4.948 1.00 0.00 C ATOM 822 C THR A 55 -10.909 -3.240 -4.423 1.00 0.00 C ATOM 823 O THR A 55 -10.928 -4.280 -3.747 1.00 0.00 O ATOM 824 CB THR A 55 -12.617 -3.227 -6.340 1.00 0.00 C ATOM 825 OG1 THR A 55 -12.790 -4.655 -6.272 1.00 0.00 O ATOM 826 CG2 THR A 55 -11.586 -2.890 -7.415 1.00 0.00 C ATOM 0 H THR A 55 -11.832 -0.842 -5.907 1.00 0.00 H new ATOM 0 HA THR A 55 -12.997 -2.896 -4.232 1.00 0.00 H new ATOM 0 HB THR A 55 -13.568 -2.769 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.039 -4.997 -7.156 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.898 -3.322 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.507 -1.808 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.617 -3.300 -7.131 1.00 0.00 H new ATOM 834 N VAL A 56 -9.781 -2.609 -4.707 1.00 0.00 N ATOM 835 CA VAL A 56 -8.516 -3.172 -4.286 1.00 0.00 C ATOM 836 C VAL A 56 -7.691 -2.229 -3.422 1.00 0.00 C ATOM 837 O VAL A 56 -7.825 -0.995 -3.520 1.00 0.00 O ATOM 838 CB VAL A 56 -7.645 -3.687 -5.468 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.270 -4.905 -6.133 1.00 0.00 C ATOM 840 CG2 VAL A 56 -7.374 -2.595 -6.493 1.00 0.00 C ATOM 0 H VAL A 56 -9.718 -1.727 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.804 -4.028 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.687 -3.987 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.635 -5.237 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.369 -5.708 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.255 -4.643 -6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.763 -2.998 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.319 -2.234 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.846 -1.770 -6.015 1.00 0.00 H new ATOM 850 N PRO A 57 -6.842 -2.814 -2.530 1.00 0.00 N ATOM 851 CA PRO A 57 -5.926 -2.070 -1.678 1.00 0.00 C ATOM 852 C PRO A 57 -5.005 -1.178 -2.486 1.00 0.00 C ATOM 853 O PRO A 57 -4.310 -1.627 -3.411 1.00 0.00 O ATOM 854 CB PRO A 57 -5.096 -3.165 -0.968 1.00 0.00 C ATOM 855 CG PRO A 57 -5.344 -4.401 -1.752 1.00 0.00 C ATOM 856 CD PRO A 57 -6.732 -4.258 -2.282 1.00 0.00 C ATOM 0 HA PRO A 57 -6.462 -1.414 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.036 -2.911 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.407 -3.286 0.070 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.622 -4.505 -2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.251 -5.289 -1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.878 -4.837 -3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.476 -4.602 -1.564 1.00 0.00 H new ATOM 864 N THR A 58 -5.037 0.068 -2.178 1.00 0.00 N ATOM 865 CA THR A 58 -4.179 1.002 -2.796 1.00 0.00 C ATOM 866 C THR A 58 -3.121 1.385 -1.789 1.00 0.00 C ATOM 867 O THR A 58 -3.440 1.622 -0.615 1.00 0.00 O ATOM 868 CB THR A 58 -4.963 2.239 -3.210 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.062 1.806 -4.000 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.108 3.165 -4.044 1.00 0.00 C ATOM 0 H THR A 58 -5.667 0.468 -1.483 1.00 0.00 H new ATOM 0 HA THR A 58 -3.726 0.569 -3.688 1.00 0.00 H new ATOM 0 HB THR A 58 -5.290 2.777 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.485 2.581 -4.425 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.691 4.041 -4.328 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.239 3.478 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.776 2.644 -4.942 1.00 0.00 H new ATOM 878 N VAL A 59 -1.895 1.395 -2.201 1.00 0.00 N ATOM 879 CA VAL A 59 -0.834 1.769 -1.319 1.00 0.00 C ATOM 880 C VAL A 59 -0.373 3.185 -1.628 1.00 0.00 C ATOM 881 O VAL A 59 -0.083 3.521 -2.784 1.00 0.00 O ATOM 882 CB VAL A 59 0.356 0.764 -1.362 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.081 -0.594 -0.846 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.907 0.619 -2.761 1.00 0.00 C ATOM 0 H VAL A 59 -1.601 1.148 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.224 1.740 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 59 1.144 1.161 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.761 -1.285 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.428 -0.498 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.891 -0.976 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.736 -0.089 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.123 0.254 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.260 1.587 -3.115 1.00 0.00 H new ATOM 894 N LYS A 60 -0.389 4.020 -0.628 1.00 0.00 N ATOM 895 CA LYS A 60 0.064 5.379 -0.775 1.00 0.00 C ATOM 896 C LYS A 60 1.398 5.500 -0.105 1.00 0.00 C ATOM 897 O LYS A 60 1.517 5.192 1.072 1.00 0.00 O ATOM 898 CB LYS A 60 -0.875 6.353 -0.088 1.00 0.00 C ATOM 899 CG LYS A 60 -0.523 7.815 -0.360 1.00 0.00 C ATOM 900 CD LYS A 60 -1.222 8.761 0.594 1.00 0.00 C ATOM 901 CE LYS A 60 -0.702 8.605 2.025 1.00 0.00 C ATOM 902 NZ LYS A 60 0.746 8.943 2.155 1.00 0.00 N ATOM 0 H LYS A 60 -0.714 3.782 0.309 1.00 0.00 H new ATOM 0 HA LYS A 60 0.109 5.614 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.895 6.163 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.853 6.174 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.555 7.949 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.796 8.068 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.073 9.789 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.295 8.572 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.281 9.247 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.862 7.578 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.020 8.918 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.313 8.251 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.916 9.895 1.773 1.00 0.00 H new ATOM 916 N PHE A 61 2.369 5.962 -0.806 1.00 0.00 N ATOM 917 CA PHE A 61 3.680 6.106 -0.237 1.00 0.00 C ATOM 918 C PHE A 61 3.848 7.474 0.397 1.00 0.00 C ATOM 919 O PHE A 61 2.916 8.310 0.369 1.00 0.00 O ATOM 920 CB PHE A 61 4.761 5.827 -1.276 1.00 0.00 C ATOM 921 CG PHE A 61 4.808 4.394 -1.714 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.850 3.887 -2.571 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.804 3.549 -1.253 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.884 2.575 -2.963 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.838 2.230 -1.645 1.00 0.00 C ATOM 926 CZ PHE A 61 4.877 1.744 -2.501 1.00 0.00 C ATOM 0 H PHE A 61 2.290 6.251 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 61 3.792 5.364 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.590 6.460 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.731 6.106 -0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.065 4.533 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.560 3.928 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.130 2.193 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.618 1.578 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.903 0.710 -2.810 1.00 0.00 H new ATOM 936 N ALA A 62 5.016 7.707 0.966 1.00 0.00 N ATOM 937 CA ALA A 62 5.347 8.968 1.631 1.00 0.00 C ATOM 938 C ALA A 62 5.473 10.117 0.638 1.00 0.00 C ATOM 939 O ALA A 62 5.542 11.283 1.022 1.00 0.00 O ATOM 940 CB ALA A 62 6.624 8.818 2.443 1.00 0.00 C ATOM 0 H ALA A 62 5.774 7.024 0.983 1.00 0.00 H new ATOM 0 HA ALA A 62 4.526 9.211 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.858 9.764 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.486 8.044 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.445 8.539 1.782 1.00 0.00 H new ATOM 946 N ASP A 63 5.491 9.783 -0.637 1.00 0.00 N ATOM 947 CA ASP A 63 5.574 10.774 -1.700 1.00 0.00 C ATOM 948 C ASP A 63 4.166 11.223 -2.092 1.00 0.00 C ATOM 949 O ASP A 63 3.990 12.163 -2.865 1.00 0.00 O ATOM 950 CB ASP A 63 6.323 10.212 -2.930 1.00 0.00 C ATOM 951 CG ASP A 63 5.577 9.119 -3.687 1.00 0.00 C ATOM 952 OD1 ASP A 63 4.734 8.423 -3.086 1.00 0.00 O ATOM 953 OD2 ASP A 63 5.860 8.926 -4.906 1.00 0.00 O ATOM 0 H ASP A 63 5.449 8.819 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 63 6.138 11.632 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.532 11.032 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.285 9.817 -2.603 1.00 0.00 H new ATOM 958 N GLY A 64 3.173 10.527 -1.551 1.00 0.00 N ATOM 959 CA GLY A 64 1.790 10.850 -1.804 1.00 0.00 C ATOM 960 C GLY A 64 1.288 10.234 -3.088 1.00 0.00 C ATOM 961 O GLY A 64 0.195 10.560 -3.560 1.00 0.00 O ATOM 0 H GLY A 64 3.311 9.730 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.179 10.501 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.674 11.933 -1.852 1.00 0.00 H new ATOM 965 N SER A 65 2.070 9.359 -3.661 1.00 0.00 N ATOM 966 CA SER A 65 1.682 8.710 -4.863 1.00 0.00 C ATOM 967 C SER A 65 1.146 7.326 -4.526 1.00 0.00 C ATOM 968 O SER A 65 1.528 6.729 -3.494 1.00 0.00 O ATOM 969 CB SER A 65 2.860 8.645 -5.834 1.00 0.00 C ATOM 970 OG SER A 65 2.497 8.078 -7.077 1.00 0.00 O ATOM 0 H SER A 65 2.985 9.084 -3.304 1.00 0.00 H new ATOM 0 HA SER A 65 0.892 9.275 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.251 9.649 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.663 8.057 -5.389 1.00 0.00 H new ATOM 0 HG SER A 65 3.279 8.057 -7.668 1.00 0.00 H new ATOM 976 N THR A 66 0.256 6.839 -5.347 1.00 0.00 N ATOM 977 CA THR A 66 -0.367 5.573 -5.126 1.00 0.00 C ATOM 978 C THR A 66 -0.041 4.594 -6.232 1.00 0.00 C ATOM 979 O THR A 66 0.220 4.992 -7.376 1.00 0.00 O ATOM 980 CB THR A 66 -1.899 5.732 -5.044 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.393 6.441 -6.191 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.303 6.453 -3.785 1.00 0.00 C ATOM 0 H THR A 66 -0.056 7.317 -6.192 1.00 0.00 H new ATOM 0 HA THR A 66 0.020 5.186 -4.183 1.00 0.00 H new ATOM 0 HB THR A 66 -2.336 4.734 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.279 6.810 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.388 6.551 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.965 5.887 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.849 7.444 -3.771 1.00 0.00 H new ATOM 990 N LEU A 67 -0.011 3.334 -5.889 1.00 0.00 N ATOM 991 CA LEU A 67 0.110 2.278 -6.859 1.00 0.00 C ATOM 992 C LEU A 67 -1.069 1.350 -6.651 1.00 0.00 C ATOM 993 O LEU A 67 -1.320 0.908 -5.511 1.00 0.00 O ATOM 994 CB LEU A 67 1.442 1.481 -6.723 1.00 0.00 C ATOM 995 CG LEU A 67 2.765 2.255 -6.887 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.966 1.320 -6.727 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.829 2.927 -8.241 1.00 0.00 C ATOM 0 H LEU A 67 -0.070 3.009 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 67 0.118 2.712 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.450 1.009 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.429 0.680 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 67 2.801 3.017 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.888 1.889 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.945 0.867 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.921 0.537 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.771 3.467 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.764 2.173 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.998 3.626 -8.340 1.00 0.00 H new ATOM 1009 N THR A 68 -1.828 1.110 -7.699 1.00 0.00 N ATOM 1010 CA THR A 68 -2.941 0.194 -7.645 1.00 0.00 C ATOM 1011 C THR A 68 -2.366 -1.219 -7.469 1.00 0.00 C ATOM 1012 O THR A 68 -1.287 -1.487 -8.009 1.00 0.00 O ATOM 1013 CB THR A 68 -3.736 0.265 -8.959 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.958 1.645 -9.294 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.087 -0.422 -8.816 1.00 0.00 C ATOM 0 H THR A 68 -1.689 1.546 -8.611 1.00 0.00 H new ATOM 0 HA THR A 68 -3.608 0.447 -6.821 1.00 0.00 H new ATOM 0 HB THR A 68 -3.164 -0.239 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.463 1.701 -10.132 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.630 -0.358 -9.759 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.937 -1.469 -8.554 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.663 0.069 -8.032 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.112 -2.088 -6.747 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.725 -3.486 -6.324 1.00 0.00 C ATOM 1025 C ASN A 69 -1.372 -3.989 -6.891 1.00 0.00 C ATOM 1026 O ASN A 69 -1.315 -4.644 -7.945 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.853 -4.472 -6.691 1.00 0.00 C ATOM 1028 CG ASN A 69 -3.657 -5.873 -6.117 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -3.027 -6.051 -5.081 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.242 -6.868 -6.749 1.00 0.00 N ATOM 0 H ASN A 69 -4.045 -1.838 -6.421 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.584 -3.439 -5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.802 -4.073 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.924 -4.541 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.177 -7.816 -6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.760 -6.691 -7.610 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.262 -3.611 -6.226 1.00 0.00 N ATOM 1038 CA PRO A 70 1.079 -3.977 -6.626 1.00 0.00 C ATOM 1039 C PRO A 70 1.623 -5.157 -5.835 1.00 0.00 C ATOM 1040 O PRO A 70 1.151 -5.468 -4.737 1.00 0.00 O ATOM 1041 CB PRO A 70 1.873 -2.708 -6.299 1.00 0.00 C ATOM 1042 CG PRO A 70 1.061 -1.979 -5.250 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.220 -2.751 -5.042 1.00 0.00 C ATOM 0 HA PRO A 70 1.132 -4.292 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.867 -2.953 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.010 -2.091 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.619 -1.906 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.846 -0.960 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.200 -3.331 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.087 -2.093 -4.987 1.00 0.00 H new ATOM 1051 N SER A 71 2.579 -5.824 -6.392 1.00 0.00 N ATOM 1052 CA SER A 71 3.197 -6.934 -5.730 1.00 0.00 C ATOM 1053 C SER A 71 4.302 -6.429 -4.787 1.00 0.00 C ATOM 1054 O SER A 71 4.718 -5.254 -4.880 1.00 0.00 O ATOM 1055 CB SER A 71 3.719 -7.925 -6.768 1.00 0.00 C ATOM 1056 OG SER A 71 4.536 -7.277 -7.723 1.00 0.00 O ATOM 0 H SER A 71 2.956 -5.619 -7.317 1.00 0.00 H new ATOM 0 HA SER A 71 2.467 -7.461 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.288 -8.711 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.880 -8.407 -7.270 1.00 0.00 H new ATOM 0 HG SER A 71 3.971 -6.810 -8.374 1.00 0.00 H new ATOM 1062 N ALA A 72 4.772 -7.298 -3.900 1.00 0.00 N ATOM 1063 CA ALA A 72 5.780 -6.944 -2.897 1.00 0.00 C ATOM 1064 C ALA A 72 7.078 -6.472 -3.533 1.00 0.00 C ATOM 1065 O ALA A 72 7.745 -5.584 -3.003 1.00 0.00 O ATOM 1066 CB ALA A 72 6.021 -8.108 -1.963 1.00 0.00 C ATOM 0 H ALA A 72 4.467 -8.270 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 72 5.392 -6.106 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.772 -7.831 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.091 -8.367 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.374 -8.966 -2.535 1.00 0.00 H new ATOM 1072 N ASP A 73 7.410 -7.034 -4.675 1.00 0.00 N ATOM 1073 CA ASP A 73 8.616 -6.643 -5.405 1.00 0.00 C ATOM 1074 C ASP A 73 8.499 -5.202 -5.900 1.00 0.00 C ATOM 1075 O ASP A 73 9.447 -4.413 -5.800 1.00 0.00 O ATOM 1076 CB ASP A 73 8.842 -7.580 -6.595 1.00 0.00 C ATOM 1077 CG ASP A 73 10.103 -7.273 -7.366 1.00 0.00 C ATOM 1078 OD1 ASP A 73 11.187 -7.827 -7.011 1.00 0.00 O ATOM 1079 OD2 ASP A 73 10.047 -6.505 -8.354 1.00 0.00 O ATOM 0 H ASP A 73 6.864 -7.768 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 73 9.466 -6.715 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.885 -8.608 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.987 -7.513 -7.268 1.00 0.00 H new ATOM 1084 N GLU A 74 7.311 -4.858 -6.361 1.00 0.00 N ATOM 1085 CA GLU A 74 7.032 -3.545 -6.929 1.00 0.00 C ATOM 1086 C GLU A 74 7.017 -2.473 -5.868 1.00 0.00 C ATOM 1087 O GLU A 74 7.559 -1.379 -6.057 1.00 0.00 O ATOM 1088 CB GLU A 74 5.700 -3.558 -7.627 1.00 0.00 C ATOM 1089 CG GLU A 74 5.609 -4.556 -8.742 1.00 0.00 C ATOM 1090 CD GLU A 74 4.280 -4.519 -9.405 1.00 0.00 C ATOM 1091 OE1 GLU A 74 3.367 -5.241 -8.947 1.00 0.00 O ATOM 1092 OE2 GLU A 74 4.130 -3.779 -10.409 1.00 0.00 O ATOM 0 H GLU A 74 6.505 -5.483 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 74 7.828 -3.320 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.920 -3.772 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.500 -2.563 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.388 -4.353 -9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.793 -5.557 -8.351 1.00 0.00 H new ATOM 1099 N VAL A 75 6.393 -2.771 -4.753 1.00 0.00 N ATOM 1100 CA VAL A 75 6.338 -1.817 -3.675 1.00 0.00 C ATOM 1101 C VAL A 75 7.712 -1.547 -3.078 1.00 0.00 C ATOM 1102 O VAL A 75 8.019 -0.409 -2.729 1.00 0.00 O ATOM 1103 CB VAL A 75 5.292 -2.144 -2.587 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.898 -1.851 -3.100 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.353 -3.588 -2.185 1.00 0.00 C ATOM 0 H VAL A 75 5.921 -3.657 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 75 5.989 -0.894 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 75 5.518 -1.522 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.168 -2.085 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.822 -0.796 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.699 -2.461 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.604 -3.784 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.156 -4.216 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.344 -3.814 -1.791 1.00 0.00 H new ATOM 1115 N LYS A 76 8.562 -2.579 -3.017 1.00 0.00 N ATOM 1116 CA LYS A 76 9.938 -2.396 -2.554 1.00 0.00 C ATOM 1117 C LYS A 76 10.698 -1.491 -3.510 1.00 0.00 C ATOM 1118 O LYS A 76 11.509 -0.671 -3.080 1.00 0.00 O ATOM 1119 CB LYS A 76 10.684 -3.734 -2.403 1.00 0.00 C ATOM 1120 CG LYS A 76 10.210 -4.623 -1.260 1.00 0.00 C ATOM 1121 CD LYS A 76 10.983 -5.950 -1.219 1.00 0.00 C ATOM 1122 CE LYS A 76 12.454 -5.765 -0.833 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.628 -5.423 0.600 1.00 0.00 N ATOM 0 H LYS A 76 8.324 -3.536 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 76 9.887 -1.932 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.590 -4.290 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.744 -3.525 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.337 -4.098 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.145 -4.825 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.506 -6.622 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.925 -6.430 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.002 -6.681 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.891 -4.977 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.641 -5.325 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.143 -4.526 0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.222 -6.178 1.189 1.00 0.00 H new ATOM 1137 N ALA A 77 10.387 -1.609 -4.797 1.00 0.00 N ATOM 1138 CA ALA A 77 11.048 -0.832 -5.835 1.00 0.00 C ATOM 1139 C ALA A 77 10.757 0.657 -5.681 1.00 0.00 C ATOM 1140 O ALA A 77 11.647 1.479 -5.813 1.00 0.00 O ATOM 1141 CB ALA A 77 10.644 -1.322 -7.218 1.00 0.00 C ATOM 0 H ALA A 77 9.671 -2.245 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 77 12.123 -0.974 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.151 -0.726 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.926 -2.369 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.565 -1.222 -7.339 1.00 0.00 H new ATOM 1147 N LYS A 78 9.523 0.996 -5.371 1.00 0.00 N ATOM 1148 CA LYS A 78 9.162 2.389 -5.187 1.00 0.00 C ATOM 1149 C LYS A 78 9.656 2.894 -3.818 1.00 0.00 C ATOM 1150 O LYS A 78 10.181 4.006 -3.699 1.00 0.00 O ATOM 1151 CB LYS A 78 7.645 2.588 -5.351 1.00 0.00 C ATOM 1152 CG LYS A 78 7.255 4.046 -5.355 1.00 0.00 C ATOM 1153 CD LYS A 78 5.795 4.270 -5.632 1.00 0.00 C ATOM 1154 CE LYS A 78 5.441 5.729 -5.420 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.093 6.652 -6.385 1.00 0.00 N ATOM 0 H LYS A 78 8.758 0.334 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 78 9.653 2.982 -5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.319 2.125 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.124 2.077 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.506 4.485 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.845 4.571 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.562 3.977 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.192 3.643 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.360 5.845 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.724 6.018 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.845 7.634 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.125 6.534 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.765 6.435 -7.348 1.00 0.00 H new ATOM 1169 N LEU A 79 9.555 2.036 -2.817 1.00 0.00 N ATOM 1170 CA LEU A 79 9.938 2.364 -1.443 1.00 0.00 C ATOM 1171 C LEU A 79 11.448 2.645 -1.303 1.00 0.00 C ATOM 1172 O LEU A 79 11.866 3.544 -0.538 1.00 0.00 O ATOM 1173 CB LEU A 79 9.499 1.229 -0.497 1.00 0.00 C ATOM 1174 CG LEU A 79 9.840 1.376 0.985 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.279 2.675 1.551 1.00 0.00 C ATOM 1176 CD2 LEU A 79 9.307 0.182 1.767 1.00 0.00 C ATOM 0 H LEU A 79 9.204 1.085 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 79 9.426 3.285 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.418 1.117 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.945 0.301 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 79 10.925 1.408 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.537 2.753 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.704 3.521 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.195 2.682 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.556 0.298 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.224 0.127 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.759 -0.734 1.386 1.00 0.00 H new ATOM 1188 N VAL A 80 12.262 1.919 -2.044 1.00 0.00 N ATOM 1189 CA VAL A 80 13.710 2.077 -1.953 1.00 0.00 C ATOM 1190 C VAL A 80 14.167 3.407 -2.582 1.00 0.00 C ATOM 1191 O VAL A 80 15.204 3.954 -2.224 1.00 0.00 O ATOM 1192 CB VAL A 80 14.477 0.859 -2.572 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.275 0.750 -4.079 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.953 0.879 -2.212 1.00 0.00 C ATOM 0 H VAL A 80 11.952 1.215 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 80 13.962 2.104 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 80 14.042 -0.036 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.827 -0.110 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.214 0.625 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.639 1.657 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.449 0.018 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.407 1.796 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.064 0.838 -1.128 1.00 0.00 H new ATOM 1204 N LYS A 81 13.358 3.945 -3.461 1.00 0.00 N ATOM 1205 CA LYS A 81 13.684 5.197 -4.119 1.00 0.00 C ATOM 1206 C LYS A 81 13.365 6.379 -3.203 1.00 0.00 C ATOM 1207 O LYS A 81 14.033 7.415 -3.241 1.00 0.00 O ATOM 1208 CB LYS A 81 12.913 5.307 -5.434 1.00 0.00 C ATOM 1209 CG LYS A 81 13.185 4.144 -6.386 1.00 0.00 C ATOM 1210 CD LYS A 81 12.370 4.209 -7.687 1.00 0.00 C ATOM 1211 CE LYS A 81 12.933 5.191 -8.717 1.00 0.00 C ATOM 1212 NZ LYS A 81 12.882 6.607 -8.296 1.00 0.00 N ATOM 0 H LYS A 81 12.466 3.538 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 81 14.752 5.217 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.845 5.351 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.178 6.242 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.247 4.128 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.963 3.207 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.330 3.214 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.345 4.493 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.968 4.924 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.378 5.081 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.781 7.215 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.070 6.752 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.760 6.852 -7.795 1.00 0.00 H new ATOM 1226 N ILE A 82 12.364 6.199 -2.365 1.00 0.00 N ATOM 1227 CA ILE A 82 11.928 7.244 -1.448 1.00 0.00 C ATOM 1228 C ILE A 82 12.788 7.255 -0.195 1.00 0.00 C ATOM 1229 O ILE A 82 13.407 8.263 0.142 1.00 0.00 O ATOM 1230 CB ILE A 82 10.446 7.043 -1.037 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.565 7.025 -2.275 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.990 8.149 -0.073 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.122 6.690 -1.997 1.00 0.00 C ATOM 0 H ILE A 82 11.830 5.332 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 82 12.030 8.196 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 82 10.356 6.087 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.614 8.001 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.966 6.299 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.948 7.986 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.608 8.127 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.090 9.119 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.560 6.698 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.059 5.701 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.702 7.429 -1.315 1.00 0.00 H new ATOM 1245 N ALA A 83 12.835 6.135 0.477 1.00 0.00 N ATOM 1246 CA ALA A 83 13.542 6.054 1.731 1.00 0.00 C ATOM 1247 C ALA A 83 14.909 5.445 1.563 1.00 0.00 C ATOM 1248 O ALA A 83 15.895 5.962 2.077 1.00 0.00 O ATOM 1249 CB ALA A 83 12.744 5.245 2.727 1.00 0.00 C ATOM 0 H ALA A 83 12.393 5.266 0.179 1.00 0.00 H new ATOM 0 HA ALA A 83 13.669 7.071 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.288 5.190 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.778 5.722 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.590 4.238 2.338 1.00 0.00 H new