USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 764 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 80 TYR OH : rot -15:sc= -1.22 USER MOD Set 1.2: A 84 GLN : amide:sc= -1.63 K(o=-2.8,f=-5.3) USER MOD Set 2.1: A 43 SER OG : rot 124:sc= -4.85! USER MOD Set 2.2: A 52 HIS : no HE2:sc= -13.8! C(o=-19!,f=-23!) USER MOD Single : A 8 CYS SG : rot 37:sc= 0.334 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -11.6! C(o=-12!,f=-18!) USER MOD Single : A 25 THR OG1 : rot 21:sc= 0.256 USER MOD Single : A 33 SER OG : rot 153:sc= 0.993 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -36:sc= 0.78 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot -30:sc= -3.27! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : +bothHN:sc= -5.12! C(o=-5.1!,f=-7!) USER MOD Single : A 66 ASN : amide:sc= -0.458 K(o=-0.46,f=-3!) USER MOD Single : A 70 SER OG : rot 120:sc= 0.161 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 79 ASN : amide:sc=-0.00474 K(o=-0.0047,f=-1.1) USER MOD Single : A 81 HIS : no HE2:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 87 SER OG : rot -53:sc= -0.12 USER MOD Single : A 88 HIS : no HD1:sc= -29.8! C(o=-30!,f=-36!) USER MOD Single : A 96 CYS SG : rot -72:sc= -2.13 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 6.163 1.656 4.165 1.00 0.00 N ATOM 30 CA PRO A 3 4.710 1.736 4.012 1.00 0.00 C ATOM 31 C PRO A 3 3.974 1.579 5.339 1.00 0.00 C ATOM 32 O PRO A 3 2.922 2.182 5.551 1.00 0.00 O ATOM 33 CB PRO A 3 4.408 0.555 3.098 1.00 0.00 C ATOM 34 CG PRO A 3 5.438 -0.464 3.455 1.00 0.00 C ATOM 35 CD PRO A 3 6.670 0.303 3.870 1.00 0.00 C ATOM 0 HA PRO A 3 4.387 2.702 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.400 0.174 3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.476 0.838 2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.087 -1.103 4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.652 -1.113 2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.144 -0.145 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.416 0.320 3.076 1.00 0.00 H new ATOM 43 N TRP A 4 4.532 0.760 6.226 1.00 0.00 N ATOM 44 CA TRP A 4 3.929 0.515 7.531 1.00 0.00 C ATOM 45 C TRP A 4 2.598 -0.215 7.387 1.00 0.00 C ATOM 46 O TRP A 4 1.568 0.398 7.103 1.00 0.00 O ATOM 47 CB TRP A 4 3.723 1.832 8.286 1.00 0.00 C ATOM 48 CG TRP A 4 3.173 1.644 9.668 1.00 0.00 C ATOM 49 CD1 TRP A 4 1.935 1.174 9.998 1.00 0.00 C ATOM 50 CD2 TRP A 4 3.841 1.923 10.903 1.00 0.00 C ATOM 51 NE1 TRP A 4 1.792 1.142 11.364 1.00 0.00 N ATOM 52 CE2 TRP A 4 2.948 1.597 11.942 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.107 2.414 11.232 1.00 0.00 C ATOM 54 CZ2 TRP A 4 3.282 1.748 13.286 1.00 0.00 C ATOM 55 CZ3 TRP A 4 5.437 2.565 12.567 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.528 2.232 13.579 1.00 0.00 C ATOM 0 H TRP A 4 5.403 0.254 6.064 1.00 0.00 H new ATOM 0 HA TRP A 4 4.611 -0.116 8.101 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.675 2.359 8.350 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.045 2.467 7.716 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.178 0.871 9.289 1.00 0.00 H new ATOM 0 HE1 TRP A 4 0.961 0.830 11.866 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.815 2.671 10.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 2.583 1.492 14.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.412 2.946 12.833 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.816 2.360 14.612 1.00 0.00 H new ATOM 67 N PHE A 5 2.626 -1.529 7.582 1.00 0.00 N ATOM 68 CA PHE A 5 1.421 -2.344 7.474 1.00 0.00 C ATOM 69 C PHE A 5 0.590 -2.251 8.748 1.00 0.00 C ATOM 70 O PHE A 5 1.134 -2.108 9.844 1.00 0.00 O ATOM 71 CB PHE A 5 1.791 -3.803 7.200 1.00 0.00 C ATOM 72 CG PHE A 5 2.669 -4.410 8.257 1.00 0.00 C ATOM 73 CD1 PHE A 5 2.114 -5.007 9.378 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.048 -4.381 8.129 1.00 0.00 C ATOM 75 CE1 PHE A 5 2.921 -5.566 10.352 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.859 -4.938 9.101 1.00 0.00 C ATOM 77 CZ PHE A 5 4.295 -5.531 10.213 1.00 0.00 C ATOM 0 H PHE A 5 3.470 -2.053 7.816 1.00 0.00 H new ATOM 0 HA PHE A 5 0.827 -1.964 6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.877 -4.391 7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.299 -3.866 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.040 -5.036 9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.494 -3.919 7.261 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.477 -6.030 11.221 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.933 -4.909 8.990 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.927 -5.967 10.973 1.00 0.00 H new ATOM 87 N PHE A 6 -0.729 -2.333 8.604 1.00 0.00 N ATOM 88 CA PHE A 6 -1.619 -2.258 9.754 1.00 0.00 C ATOM 89 C PHE A 6 -2.272 -3.609 10.022 1.00 0.00 C ATOM 90 O PHE A 6 -2.365 -4.452 9.129 1.00 0.00 O ATOM 91 CB PHE A 6 -2.684 -1.181 9.541 1.00 0.00 C ATOM 92 CG PHE A 6 -2.659 -0.110 10.593 1.00 0.00 C ATOM 93 CD1 PHE A 6 -3.216 -0.335 11.842 1.00 0.00 C ATOM 94 CD2 PHE A 6 -2.075 1.119 10.334 1.00 0.00 C ATOM 95 CE1 PHE A 6 -3.191 0.648 12.813 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.046 2.105 11.301 1.00 0.00 C ATOM 97 CZ PHE A 6 -2.605 1.869 12.542 1.00 0.00 C ATOM 0 H PHE A 6 -1.201 -2.451 7.708 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.024 -1.987 10.626 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.539 -0.724 8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.668 -1.649 9.531 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.674 -1.289 12.059 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.637 1.309 9.365 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.629 0.462 13.782 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.587 3.059 11.087 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.584 2.638 13.300 1.00 0.00 H new ATOM 107 N GLY A 7 -2.710 -3.812 11.259 1.00 0.00 N ATOM 108 CA GLY A 7 -3.334 -5.068 11.624 1.00 0.00 C ATOM 109 C GLY A 7 -4.849 -5.018 11.587 1.00 0.00 C ATOM 110 O GLY A 7 -5.505 -6.059 11.592 1.00 0.00 O ATOM 0 H GLY A 7 -2.644 -3.130 12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.987 -5.849 10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.011 -5.348 12.627 1.00 0.00 H new ATOM 114 N CYS A 8 -5.415 -3.814 11.555 1.00 0.00 N ATOM 115 CA CYS A 8 -6.866 -3.671 11.524 1.00 0.00 C ATOM 116 C CYS A 8 -7.294 -2.269 11.096 1.00 0.00 C ATOM 117 O CYS A 8 -7.780 -1.482 11.909 1.00 0.00 O ATOM 118 CB CYS A 8 -7.456 -3.997 12.899 1.00 0.00 C ATOM 119 SG CYS A 8 -7.999 -5.712 13.081 1.00 0.00 S ATOM 0 H CYS A 8 -4.898 -2.935 11.550 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.248 -4.374 10.784 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.710 -3.780 13.663 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.303 -3.337 13.085 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.184 -6.496 12.439 1.00 0.00 H new ATOM 125 N ILE A 9 -7.141 -1.971 9.809 1.00 0.00 N ATOM 126 CA ILE A 9 -7.545 -0.675 9.274 1.00 0.00 C ATOM 127 C ILE A 9 -8.638 -0.854 8.227 1.00 0.00 C ATOM 128 O ILE A 9 -8.481 -1.620 7.277 1.00 0.00 O ATOM 129 CB ILE A 9 -6.369 0.098 8.642 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.616 -0.778 7.646 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.422 0.616 9.712 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.600 -0.009 6.840 1.00 0.00 C ATOM 0 H ILE A 9 -6.741 -2.607 9.119 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.917 -0.092 10.117 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.781 0.953 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.113 -1.581 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.330 -1.246 6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.602 1.157 9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.961 1.286 10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.023 -0.223 10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.096 -0.685 6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.102 0.778 6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.866 0.437 7.511 1.00 0.00 H new ATOM 144 N SER A 10 -9.746 -0.150 8.411 1.00 0.00 N ATOM 145 CA SER A 10 -10.868 -0.239 7.485 1.00 0.00 C ATOM 146 C SER A 10 -10.628 0.618 6.249 1.00 0.00 C ATOM 147 O SER A 10 -9.795 1.525 6.261 1.00 0.00 O ATOM 148 CB SER A 10 -12.162 0.194 8.176 1.00 0.00 C ATOM 149 OG SER A 10 -12.408 -0.584 9.334 1.00 0.00 O ATOM 0 H SER A 10 -9.893 0.489 9.192 1.00 0.00 H new ATOM 0 HA SER A 10 -10.961 -1.278 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.097 1.247 8.449 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.998 0.095 7.484 1.00 0.00 H new ATOM 0 HG SER A 10 -13.240 -0.286 9.758 1.00 0.00 H new ATOM 155 N ARG A 11 -11.366 0.328 5.183 1.00 0.00 N ATOM 156 CA ARG A 11 -11.237 1.076 3.939 1.00 0.00 C ATOM 157 C ARG A 11 -11.559 2.551 4.153 1.00 0.00 C ATOM 158 O ARG A 11 -11.176 3.404 3.354 1.00 0.00 O ATOM 159 CB ARG A 11 -12.157 0.490 2.866 1.00 0.00 C ATOM 160 CG ARG A 11 -11.605 0.610 1.455 1.00 0.00 C ATOM 161 CD ARG A 11 -12.270 -0.380 0.511 1.00 0.00 C ATOM 162 NE ARG A 11 -12.526 0.203 -0.804 1.00 0.00 N ATOM 163 CZ ARG A 11 -13.382 -0.308 -1.687 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.066 -1.408 -1.397 1.00 0.00 N ATOM 165 NH2 ARG A 11 -13.554 0.282 -2.861 1.00 0.00 N ATOM 0 H ARG A 11 -12.059 -0.420 5.156 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.203 0.994 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.336 -0.562 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.122 0.994 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.759 1.625 1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.529 0.436 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.634 -1.258 0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.210 -0.720 0.946 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.020 1.051 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.937 -1.866 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.720 -1.796 -2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.031 1.128 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.210 -0.109 -3.537 1.00 0.00 H new ATOM 179 N SER A 12 -12.258 2.839 5.239 1.00 0.00 N ATOM 180 CA SER A 12 -12.634 4.207 5.571 1.00 0.00 C ATOM 181 C SER A 12 -11.469 4.951 6.215 1.00 0.00 C ATOM 182 O SER A 12 -11.314 6.158 6.030 1.00 0.00 O ATOM 183 CB SER A 12 -13.840 4.215 6.512 1.00 0.00 C ATOM 184 OG SER A 12 -15.030 3.880 5.818 1.00 0.00 O ATOM 0 H SER A 12 -12.579 2.141 5.910 1.00 0.00 H new ATOM 0 HA SER A 12 -12.901 4.717 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.677 3.506 7.324 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.945 5.201 6.966 1.00 0.00 H new ATOM 0 HG SER A 12 -15.786 3.890 6.441 1.00 0.00 H new ATOM 190 N GLU A 13 -10.651 4.224 6.971 1.00 0.00 N ATOM 191 CA GLU A 13 -9.502 4.826 7.638 1.00 0.00 C ATOM 192 C GLU A 13 -8.356 5.043 6.668 1.00 0.00 C ATOM 193 O GLU A 13 -7.686 6.063 6.722 1.00 0.00 O ATOM 194 CB GLU A 13 -9.010 3.955 8.792 1.00 0.00 C ATOM 195 CG GLU A 13 -10.121 3.254 9.556 1.00 0.00 C ATOM 196 CD GLU A 13 -9.619 2.556 10.805 1.00 0.00 C ATOM 197 OE1 GLU A 13 -8.557 2.959 11.325 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.288 1.606 11.265 1.00 0.00 O ATOM 0 H GLU A 13 -10.762 3.224 7.136 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.834 5.788 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.323 3.205 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.442 4.575 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.883 3.983 9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.601 2.524 8.904 1.00 0.00 H new ATOM 205 N ALA A 14 -8.127 4.075 5.790 1.00 0.00 N ATOM 206 CA ALA A 14 -7.046 4.171 4.824 1.00 0.00 C ATOM 207 C ALA A 14 -7.244 5.364 3.898 1.00 0.00 C ATOM 208 O ALA A 14 -6.319 6.140 3.667 1.00 0.00 O ATOM 209 CB ALA A 14 -6.937 2.879 4.029 1.00 0.00 C ATOM 0 H ALA A 14 -8.675 3.217 5.729 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.113 4.325 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.124 2.963 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.737 2.050 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.873 2.697 3.500 1.00 0.00 H new ATOM 215 N VAL A 15 -8.455 5.515 3.377 1.00 0.00 N ATOM 216 CA VAL A 15 -8.757 6.629 2.481 1.00 0.00 C ATOM 217 C VAL A 15 -8.543 7.964 3.188 1.00 0.00 C ATOM 218 O VAL A 15 -7.989 8.901 2.612 1.00 0.00 O ATOM 219 CB VAL A 15 -10.201 6.568 1.949 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.417 7.627 0.878 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.521 5.182 1.408 1.00 0.00 C ATOM 0 H VAL A 15 -9.239 4.888 3.556 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.074 6.545 1.636 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.880 6.771 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.442 7.571 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.237 8.615 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.727 7.455 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.546 5.164 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.837 4.942 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.409 4.446 2.204 1.00 0.00 H new ATOM 231 N ARG A 16 -8.978 8.042 4.442 1.00 0.00 N ATOM 232 CA ARG A 16 -8.825 9.262 5.229 1.00 0.00 C ATOM 233 C ARG A 16 -7.433 9.337 5.852 1.00 0.00 C ATOM 234 O ARG A 16 -6.972 10.406 6.250 1.00 0.00 O ATOM 235 CB ARG A 16 -9.896 9.330 6.321 1.00 0.00 C ATOM 236 CG ARG A 16 -10.803 10.545 6.207 1.00 0.00 C ATOM 237 CD ARG A 16 -12.265 10.144 6.091 1.00 0.00 C ATOM 238 NE ARG A 16 -12.488 9.201 4.997 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.563 8.424 4.895 1.00 0.00 C ATOM 240 NH1 ARG A 16 -14.517 8.473 5.818 1.00 0.00 N ATOM 241 NH2 ARG A 16 -13.686 7.596 3.867 1.00 0.00 N ATOM 0 H ARG A 16 -9.438 7.277 4.935 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.948 10.114 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.505 8.427 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.409 9.340 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.669 11.183 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.516 11.133 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.594 9.696 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.874 11.034 5.932 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.777 9.135 4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.428 9.109 6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.339 7.875 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.957 7.555 3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.510 7.000 3.788 1.00 0.00 H new ATOM 255 N ARG A 17 -6.773 8.191 5.920 1.00 0.00 N ATOM 256 CA ARG A 17 -5.431 8.101 6.480 1.00 0.00 C ATOM 257 C ARG A 17 -4.407 8.506 5.424 1.00 0.00 C ATOM 258 O ARG A 17 -3.480 9.266 5.701 1.00 0.00 O ATOM 259 CB ARG A 17 -5.165 6.677 6.992 1.00 0.00 C ATOM 260 CG ARG A 17 -3.726 6.430 7.416 1.00 0.00 C ATOM 261 CD ARG A 17 -3.630 5.282 8.408 1.00 0.00 C ATOM 262 NE ARG A 17 -2.815 5.629 9.571 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.984 5.100 10.782 1.00 0.00 C ATOM 264 NH1 ARG A 17 -3.938 4.203 11.000 1.00 0.00 N ATOM 265 NH2 ARG A 17 -2.194 5.471 11.781 1.00 0.00 N ATOM 0 H ARG A 17 -7.149 7.302 5.591 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.344 8.783 7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.822 6.478 7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.430 5.966 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.120 6.206 6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.316 7.335 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.631 5.003 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.202 4.410 7.913 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.072 6.317 9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.549 3.913 10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.060 3.804 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.459 6.160 11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.322 5.067 12.709 1.00 0.00 H new ATOM 279 N LEU A 18 -4.604 8.013 4.204 1.00 0.00 N ATOM 280 CA LEU A 18 -3.724 8.346 3.091 1.00 0.00 C ATOM 281 C LEU A 18 -3.855 9.821 2.750 1.00 0.00 C ATOM 282 O LEU A 18 -2.881 10.501 2.430 1.00 0.00 O ATOM 283 CB LEU A 18 -4.077 7.511 1.866 1.00 0.00 C ATOM 284 CG LEU A 18 -3.335 6.186 1.750 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.840 6.407 1.853 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.803 5.214 2.815 1.00 0.00 C ATOM 0 H LEU A 18 -5.367 7.381 3.962 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.697 8.130 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.148 7.310 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.875 8.102 0.973 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.555 5.754 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.324 5.451 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.514 7.068 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.605 6.862 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.260 4.274 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.615 5.637 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.871 5.031 2.696 1.00 0.00 H new ATOM 298 N GLN A 19 -5.089 10.285 2.817 1.00 0.00 N ATOM 299 CA GLN A 19 -5.429 11.675 2.515 1.00 0.00 C ATOM 300 C GLN A 19 -4.988 12.628 3.625 1.00 0.00 C ATOM 301 O GLN A 19 -4.828 13.826 3.387 1.00 0.00 O ATOM 302 CB GLN A 19 -6.938 11.810 2.298 1.00 0.00 C ATOM 303 CG GLN A 19 -7.377 11.550 0.866 1.00 0.00 C ATOM 304 CD GLN A 19 -8.121 12.724 0.259 1.00 0.00 C ATOM 305 OE1 GLN A 19 -9.351 12.742 0.223 1.00 0.00 O ATOM 306 NE2 GLN A 19 -7.376 13.713 -0.219 1.00 0.00 N ATOM 0 H GLN A 19 -5.890 9.712 3.082 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.895 11.949 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.454 11.114 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.249 12.814 2.587 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.501 11.326 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.017 10.668 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.359 13.656 -0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.821 14.530 -0.637 1.00 0.00 H new ATOM 315 N ALA A 20 -4.803 12.101 4.836 1.00 0.00 N ATOM 316 CA ALA A 20 -4.386 12.921 5.978 1.00 0.00 C ATOM 317 C ALA A 20 -3.285 13.902 5.584 1.00 0.00 C ATOM 318 O ALA A 20 -2.665 13.756 4.531 1.00 0.00 O ATOM 319 CB ALA A 20 -3.916 12.031 7.120 1.00 0.00 C ATOM 0 H ALA A 20 -4.934 11.113 5.053 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.248 13.500 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.609 12.651 7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.730 11.376 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.072 11.427 6.787 1.00 0.00 H new ATOM 325 N GLU A 21 -3.040 14.908 6.426 1.00 0.00 N ATOM 326 CA GLU A 21 -2.009 15.897 6.125 1.00 0.00 C ATOM 327 C GLU A 21 -0.641 15.460 6.615 1.00 0.00 C ATOM 328 O GLU A 21 0.317 16.232 6.621 1.00 0.00 O ATOM 329 CB GLU A 21 -2.376 17.267 6.698 1.00 0.00 C ATOM 330 CG GLU A 21 -2.820 17.219 8.151 1.00 0.00 C ATOM 331 CD GLU A 21 -4.329 17.240 8.300 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.919 18.337 8.213 1.00 0.00 O ATOM 333 OE2 GLU A 21 -4.920 16.159 8.504 1.00 0.00 O ATOM 0 H GLU A 21 -3.533 15.057 7.306 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.956 15.981 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.515 17.930 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.175 17.701 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.425 16.317 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.394 18.068 8.686 1.00 0.00 H new ATOM 340 N GLY A 22 -0.562 14.201 6.969 1.00 0.00 N ATOM 341 CA GLY A 22 0.688 13.613 7.406 1.00 0.00 C ATOM 342 C GLY A 22 1.377 12.892 6.264 1.00 0.00 C ATOM 343 O GLY A 22 2.530 12.478 6.376 1.00 0.00 O ATOM 0 H GLY A 22 -1.353 13.557 6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.343 14.391 7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.500 12.914 8.221 1.00 0.00 H new ATOM 347 N ASN A 23 0.641 12.731 5.165 1.00 0.00 N ATOM 348 CA ASN A 23 1.140 12.042 3.984 1.00 0.00 C ATOM 349 C ASN A 23 1.532 13.022 2.893 1.00 0.00 C ATOM 350 O ASN A 23 0.705 13.794 2.407 1.00 0.00 O ATOM 351 CB ASN A 23 0.066 11.091 3.467 1.00 0.00 C ATOM 352 CG ASN A 23 -0.206 9.960 4.440 1.00 0.00 C ATOM 353 OD1 ASN A 23 0.111 10.058 5.625 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.795 8.883 3.945 1.00 0.00 N ATOM 0 H ASN A 23 -0.315 13.075 5.072 1.00 0.00 H new ATOM 0 HA ASN A 23 2.032 11.482 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.855 11.646 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.379 10.677 2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.004 8.091 4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.040 8.845 2.956 1.00 0.00 H new ATOM 361 N ALA A 24 2.800 12.979 2.502 1.00 0.00 N ATOM 362 CA ALA A 24 3.297 13.854 1.459 1.00 0.00 C ATOM 363 C ALA A 24 3.504 13.082 0.167 1.00 0.00 C ATOM 364 O ALA A 24 4.630 12.917 -0.301 1.00 0.00 O ATOM 365 CB ALA A 24 4.586 14.531 1.894 1.00 0.00 C ATOM 0 H ALA A 24 3.498 12.347 2.894 1.00 0.00 H new ATOM 0 HA ALA A 24 2.551 14.628 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.942 15.183 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.402 15.122 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.341 13.774 2.107 1.00 0.00 H new ATOM 371 N THR A 25 2.396 12.612 -0.392 1.00 0.00 N ATOM 372 CA THR A 25 2.401 11.848 -1.631 1.00 0.00 C ATOM 373 C THR A 25 3.294 10.615 -1.524 1.00 0.00 C ATOM 374 O THR A 25 4.388 10.663 -0.962 1.00 0.00 O ATOM 375 CB THR A 25 2.819 12.729 -2.808 1.00 0.00 C ATOM 376 OG1 THR A 25 4.090 13.314 -2.587 1.00 0.00 O ATOM 377 CG2 THR A 25 1.833 13.845 -3.080 1.00 0.00 C ATOM 0 H THR A 25 1.466 12.751 0.003 1.00 0.00 H new ATOM 0 HA THR A 25 1.384 11.499 -1.811 1.00 0.00 H new ATOM 0 HB THR A 25 2.851 12.065 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.576 12.796 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.180 14.439 -3.926 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.857 13.419 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.752 14.481 -2.199 1.00 0.00 H new ATOM 385 N GLY A 26 2.792 9.499 -2.042 1.00 0.00 N ATOM 386 CA GLY A 26 3.521 8.248 -1.974 1.00 0.00 C ATOM 387 C GLY A 26 3.221 7.508 -0.694 1.00 0.00 C ATOM 388 O GLY A 26 3.468 6.307 -0.590 1.00 0.00 O ATOM 0 H GLY A 26 1.888 9.440 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.257 7.624 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.591 8.444 -2.041 1.00 0.00 H new ATOM 392 N ALA A 27 2.659 8.223 0.280 1.00 0.00 N ATOM 393 CA ALA A 27 2.294 7.619 1.545 1.00 0.00 C ATOM 394 C ALA A 27 1.472 6.374 1.282 1.00 0.00 C ATOM 395 O ALA A 27 0.409 6.449 0.682 1.00 0.00 O ATOM 396 CB ALA A 27 1.513 8.606 2.392 1.00 0.00 C ATOM 0 H ALA A 27 2.450 9.219 0.210 1.00 0.00 H new ATOM 0 HA ALA A 27 3.196 7.344 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.245 8.140 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.126 9.487 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.606 8.901 1.864 1.00 0.00 H new ATOM 402 N PHE A 28 1.986 5.233 1.695 1.00 0.00 N ATOM 403 CA PHE A 28 1.314 3.964 1.471 1.00 0.00 C ATOM 404 C PHE A 28 1.172 3.209 2.792 1.00 0.00 C ATOM 405 O PHE A 28 1.852 3.515 3.772 1.00 0.00 O ATOM 406 CB PHE A 28 2.140 3.159 0.463 1.00 0.00 C ATOM 407 CG PHE A 28 1.405 2.706 -0.775 1.00 0.00 C ATOM 408 CD1 PHE A 28 0.119 2.226 -0.700 1.00 0.00 C ATOM 409 CD2 PHE A 28 2.027 2.717 -2.017 1.00 0.00 C ATOM 410 CE1 PHE A 28 -0.541 1.773 -1.836 1.00 0.00 C ATOM 411 CE2 PHE A 28 1.381 2.257 -3.147 1.00 0.00 C ATOM 412 CZ PHE A 28 0.096 1.787 -3.058 1.00 0.00 C ATOM 0 H PHE A 28 2.874 5.156 2.192 1.00 0.00 H new ATOM 0 HA PHE A 28 0.312 4.125 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.993 3.764 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.539 2.279 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.385 2.201 0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.036 3.093 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.555 1.409 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.888 2.267 -4.101 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.414 1.430 -3.940 1.00 0.00 H new ATOM 422 N LEU A 29 0.286 2.228 2.809 1.00 0.00 N ATOM 423 CA LEU A 29 0.035 1.415 4.000 1.00 0.00 C ATOM 424 C LEU A 29 -0.405 0.020 3.595 1.00 0.00 C ATOM 425 O LEU A 29 -1.018 -0.158 2.546 1.00 0.00 O ATOM 426 CB LEU A 29 -1.039 2.049 4.891 1.00 0.00 C ATOM 427 CG LEU A 29 -2.353 2.463 4.204 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.504 1.865 2.813 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.527 2.037 5.050 1.00 0.00 C ATOM 0 H LEU A 29 -0.282 1.968 2.002 1.00 0.00 H new ATOM 0 HA LEU A 29 0.965 1.358 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.279 1.345 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.610 2.932 5.365 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.325 3.547 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.448 2.191 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.679 2.198 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.492 0.777 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.455 2.332 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.511 0.954 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.464 2.516 6.027 1.00 0.00 H new ATOM 441 N ILE A 30 -0.089 -0.976 4.405 1.00 0.00 N ATOM 442 CA ILE A 30 -0.463 -2.339 4.064 1.00 0.00 C ATOM 443 C ILE A 30 -1.373 -2.960 5.103 1.00 0.00 C ATOM 444 O ILE A 30 -0.995 -3.137 6.257 1.00 0.00 O ATOM 445 CB ILE A 30 0.763 -3.252 3.863 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.050 -2.419 3.675 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.507 -4.170 2.675 1.00 0.00 C ATOM 448 CD1 ILE A 30 3.011 -2.968 2.642 1.00 0.00 C ATOM 0 H ILE A 30 0.415 -0.872 5.286 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.002 -2.262 3.120 1.00 0.00 H new ATOM 0 HB ILE A 30 0.913 -3.862 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.772 -1.404 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.566 -2.351 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.369 -4.820 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.376 -4.778 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.345 -3.570 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.885 -2.320 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.324 -3.971 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.517 -3.009 1.671 1.00 0.00 H new ATOM 460 N ARG A 31 -2.573 -3.309 4.671 1.00 0.00 N ATOM 461 CA ARG A 31 -3.545 -3.933 5.545 1.00 0.00 C ATOM 462 C ARG A 31 -3.854 -5.332 5.044 1.00 0.00 C ATOM 463 O ARG A 31 -3.166 -5.849 4.166 1.00 0.00 O ATOM 464 CB ARG A 31 -4.827 -3.104 5.588 1.00 0.00 C ATOM 465 CG ARG A 31 -5.586 -3.097 4.275 1.00 0.00 C ATOM 466 CD ARG A 31 -6.336 -1.791 4.067 1.00 0.00 C ATOM 467 NE ARG A 31 -7.749 -2.013 3.759 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.348 -1.596 2.643 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.665 -0.939 1.711 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.638 -1.839 2.457 1.00 0.00 N ATOM 0 H ARG A 31 -2.896 -3.169 3.714 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.131 -3.991 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.476 -3.494 6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.578 -2.078 5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.889 -3.252 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.291 -3.928 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.253 -1.178 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.872 -1.232 3.255 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.312 -2.519 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.672 -0.749 1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.134 -0.625 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.169 -2.344 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.099 -1.521 1.604 1.00 0.00 H new ATOM 484 N VAL A 32 -4.893 -5.936 5.589 1.00 0.00 N ATOM 485 CA VAL A 32 -5.280 -7.270 5.166 1.00 0.00 C ATOM 486 C VAL A 32 -6.358 -7.212 4.096 1.00 0.00 C ATOM 487 O VAL A 32 -6.968 -6.168 3.866 1.00 0.00 O ATOM 488 CB VAL A 32 -5.774 -8.125 6.348 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.638 -8.395 7.323 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.939 -7.445 7.050 1.00 0.00 C ATOM 0 H VAL A 32 -5.479 -5.530 6.318 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.388 -7.739 4.751 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.124 -9.081 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.006 -9.000 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.838 -8.929 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.255 -7.449 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.274 -8.064 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.620 -6.473 7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.759 -7.309 6.345 1.00 0.00 H new ATOM 500 N SER A 33 -6.571 -8.341 3.433 1.00 0.00 N ATOM 501 CA SER A 33 -7.558 -8.434 2.367 1.00 0.00 C ATOM 502 C SER A 33 -8.956 -8.065 2.853 1.00 0.00 C ATOM 503 O SER A 33 -9.767 -8.940 3.158 1.00 0.00 O ATOM 504 CB SER A 33 -7.570 -9.851 1.791 1.00 0.00 C ATOM 505 OG SER A 33 -7.251 -10.810 2.785 1.00 0.00 O ATOM 0 H SER A 33 -6.070 -9.210 3.617 1.00 0.00 H new ATOM 0 HA SER A 33 -7.275 -7.721 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.553 -10.069 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.854 -9.920 0.972 1.00 0.00 H new ATOM 0 HG SER A 33 -7.657 -11.671 2.552 1.00 0.00 H new ATOM 511 N GLU A 34 -9.244 -6.767 2.901 1.00 0.00 N ATOM 512 CA GLU A 34 -10.560 -6.300 3.323 1.00 0.00 C ATOM 513 C GLU A 34 -11.620 -6.765 2.328 1.00 0.00 C ATOM 514 O GLU A 34 -12.810 -6.814 2.638 1.00 0.00 O ATOM 515 CB GLU A 34 -10.575 -4.774 3.444 1.00 0.00 C ATOM 516 CG GLU A 34 -10.684 -4.279 4.877 1.00 0.00 C ATOM 517 CD GLU A 34 -11.958 -4.742 5.557 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.006 -5.909 5.999 1.00 0.00 O ATOM 519 OE2 GLU A 34 -12.909 -3.935 5.648 1.00 0.00 O ATOM 0 H GLU A 34 -8.589 -6.025 2.655 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.785 -6.723 4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.665 -4.373 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.412 -4.380 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.824 -4.632 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.647 -3.190 4.885 1.00 0.00 H new ATOM 526 N LYS A 35 -11.158 -7.123 1.138 1.00 0.00 N ATOM 527 CA LYS A 35 -12.026 -7.612 0.074 1.00 0.00 C ATOM 528 C LYS A 35 -11.485 -8.936 -0.474 1.00 0.00 C ATOM 529 O LYS A 35 -12.154 -9.965 -0.378 1.00 0.00 O ATOM 530 CB LYS A 35 -12.166 -6.577 -1.051 1.00 0.00 C ATOM 531 CG LYS A 35 -12.105 -5.133 -0.571 1.00 0.00 C ATOM 532 CD LYS A 35 -10.840 -4.434 -1.050 1.00 0.00 C ATOM 533 CE LYS A 35 -11.138 -3.429 -2.153 1.00 0.00 C ATOM 534 NZ LYS A 35 -10.229 -3.598 -3.319 1.00 0.00 N ATOM 0 H LYS A 35 -10.171 -7.083 0.882 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.019 -7.780 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.375 -6.740 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.113 -6.739 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.979 -4.592 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.144 -5.109 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.366 -3.924 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.130 -5.176 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.172 -3.544 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.039 -2.418 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.465 -2.895 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.244 -3.463 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.342 -4.554 -3.711 1.00 0.00 H new ATOM 548 N PRO A 36 -10.259 -8.940 -1.048 1.00 0.00 N ATOM 549 CA PRO A 36 -9.644 -10.158 -1.588 1.00 0.00 C ATOM 550 C PRO A 36 -9.753 -11.337 -0.620 1.00 0.00 C ATOM 551 O PRO A 36 -10.252 -11.191 0.496 1.00 0.00 O ATOM 552 CB PRO A 36 -8.168 -9.767 -1.799 1.00 0.00 C ATOM 553 CG PRO A 36 -8.009 -8.405 -1.206 1.00 0.00 C ATOM 554 CD PRO A 36 -9.371 -7.781 -1.217 1.00 0.00 C ATOM 0 HA PRO A 36 -10.138 -10.489 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.503 -10.482 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.914 -9.762 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.617 -8.466 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.303 -7.809 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.491 -7.058 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.567 -7.253 -2.150 1.00 0.00 H new ATOM 562 N SER A 37 -9.291 -12.506 -1.055 1.00 0.00 N ATOM 563 CA SER A 37 -9.350 -13.708 -0.225 1.00 0.00 C ATOM 564 C SER A 37 -8.280 -13.688 0.871 1.00 0.00 C ATOM 565 O SER A 37 -8.535 -13.234 1.986 1.00 0.00 O ATOM 566 CB SER A 37 -9.199 -14.959 -1.094 1.00 0.00 C ATOM 567 OG SER A 37 -9.011 -16.115 -0.296 1.00 0.00 O ATOM 0 H SER A 37 -8.873 -12.648 -1.974 1.00 0.00 H new ATOM 0 HA SER A 37 -10.324 -13.729 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.086 -15.083 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.351 -14.837 -1.768 1.00 0.00 H new ATOM 0 HG SER A 37 -8.919 -16.901 -0.875 1.00 0.00 H new ATOM 573 N ALA A 38 -7.085 -14.185 0.551 1.00 0.00 N ATOM 574 CA ALA A 38 -5.988 -14.223 1.513 1.00 0.00 C ATOM 575 C ALA A 38 -4.804 -13.407 1.012 1.00 0.00 C ATOM 576 O ALA A 38 -3.730 -13.945 0.739 1.00 0.00 O ATOM 577 CB ALA A 38 -5.572 -15.663 1.785 1.00 0.00 C ATOM 0 H ALA A 38 -6.854 -14.566 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.333 -13.781 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.753 -15.675 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.419 -16.216 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.246 -16.129 0.855 1.00 0.00 H new ATOM 583 N ASP A 39 -5.014 -12.105 0.881 1.00 0.00 N ATOM 584 CA ASP A 39 -3.975 -11.207 0.400 1.00 0.00 C ATOM 585 C ASP A 39 -3.858 -9.974 1.293 1.00 0.00 C ATOM 586 O ASP A 39 -4.445 -9.922 2.373 1.00 0.00 O ATOM 587 CB ASP A 39 -4.290 -10.783 -1.035 1.00 0.00 C ATOM 588 CG ASP A 39 -4.588 -11.968 -1.934 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.996 -13.045 -1.714 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.414 -11.818 -2.860 1.00 0.00 O ATOM 0 H ASP A 39 -5.898 -11.646 1.102 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.022 -11.735 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.146 -10.108 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.445 -10.226 -1.440 1.00 0.00 H new ATOM 595 N TYR A 40 -3.121 -8.974 0.819 1.00 0.00 N ATOM 596 CA TYR A 40 -2.952 -7.729 1.552 1.00 0.00 C ATOM 597 C TYR A 40 -3.257 -6.594 0.620 1.00 0.00 C ATOM 598 O TYR A 40 -2.851 -6.616 -0.530 1.00 0.00 O ATOM 599 CB TYR A 40 -1.524 -7.584 2.119 1.00 0.00 C ATOM 600 CG TYR A 40 -1.425 -7.919 3.591 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.992 -9.081 4.097 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.763 -7.073 4.473 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.903 -9.391 5.441 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.669 -7.377 5.818 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.241 -8.537 6.297 1.00 0.00 C ATOM 606 OH TYR A 40 -1.150 -8.843 7.635 1.00 0.00 O ATOM 0 H TYR A 40 -2.630 -9.005 -0.074 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.633 -7.723 2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.851 -8.234 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.181 -6.561 1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.511 -9.753 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.315 -6.163 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.350 -10.298 5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.150 -6.710 6.490 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.651 -8.138 8.098 1.00 0.00 H new ATOM 616 N VAL A 41 -3.980 -5.612 1.106 1.00 0.00 N ATOM 617 CA VAL A 41 -4.328 -4.481 0.267 1.00 0.00 C ATOM 618 C VAL A 41 -3.569 -3.251 0.693 1.00 0.00 C ATOM 619 O VAL A 41 -3.527 -2.898 1.869 1.00 0.00 O ATOM 620 CB VAL A 41 -5.835 -4.199 0.252 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.546 -5.262 -0.575 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.386 -4.155 1.667 1.00 0.00 C ATOM 0 H VAL A 41 -4.335 -5.569 2.061 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.042 -4.745 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.010 -3.224 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.617 -5.060 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.164 -5.244 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.366 -6.244 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.457 -3.954 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.212 -5.114 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.885 -3.366 2.228 1.00 0.00 H new ATOM 632 N LEU A 42 -2.936 -2.621 -0.274 1.00 0.00 N ATOM 633 CA LEU A 42 -2.138 -1.454 -0.011 1.00 0.00 C ATOM 634 C LEU A 42 -2.723 -0.209 -0.675 1.00 0.00 C ATOM 635 O LEU A 42 -3.022 -0.219 -1.863 1.00 0.00 O ATOM 636 CB LEU A 42 -0.727 -1.700 -0.510 1.00 0.00 C ATOM 637 CG LEU A 42 0.248 -0.614 -0.138 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.911 -0.916 1.192 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.284 -0.443 -1.224 1.00 0.00 C ATOM 0 H LEU A 42 -2.962 -2.904 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.129 -1.274 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.370 -2.649 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.748 -1.800 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.303 0.321 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.611 -0.118 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.151 -0.986 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.449 -1.862 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.981 0.345 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.828 -1.378 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.791 -0.173 -2.158 1.00 0.00 H new ATOM 651 N SER A 43 -2.870 0.868 0.096 1.00 0.00 N ATOM 652 CA SER A 43 -3.411 2.126 -0.432 1.00 0.00 C ATOM 653 C SER A 43 -2.453 3.293 -0.224 1.00 0.00 C ATOM 654 O SER A 43 -1.943 3.521 0.871 1.00 0.00 O ATOM 655 CB SER A 43 -4.774 2.413 0.160 1.00 0.00 C ATOM 656 OG SER A 43 -4.727 3.434 1.137 1.00 0.00 O ATOM 0 H SER A 43 -2.624 0.898 1.085 1.00 0.00 H new ATOM 0 HA SER A 43 -3.528 2.007 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.460 2.705 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.173 1.503 0.607 1.00 0.00 H new ATOM 0 HG SER A 43 -5.350 4.150 0.892 1.00 0.00 H new ATOM 662 N VAL A 44 -2.179 3.997 -1.316 1.00 0.00 N ATOM 663 CA VAL A 44 -1.230 5.120 -1.306 1.00 0.00 C ATOM 664 C VAL A 44 -1.878 6.453 -1.644 1.00 0.00 C ATOM 665 O VAL A 44 -2.801 6.521 -2.455 1.00 0.00 O ATOM 666 CB VAL A 44 -0.100 4.872 -2.333 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.576 5.065 -3.764 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.124 5.732 -2.045 1.00 0.00 C ATOM 0 H VAL A 44 -2.599 3.814 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.841 5.174 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 44 0.194 3.828 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.250 4.881 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.386 4.367 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.934 6.086 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.895 5.528 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.847 6.785 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.507 5.498 -1.052 1.00 0.00 H new ATOM 678 N ARG A 45 -1.329 7.525 -1.077 1.00 0.00 N ATOM 679 CA ARG A 45 -1.793 8.864 -1.398 1.00 0.00 C ATOM 680 C ARG A 45 -1.210 9.230 -2.759 1.00 0.00 C ATOM 681 O ARG A 45 -1.554 10.251 -3.355 1.00 0.00 O ATOM 682 CB ARG A 45 -1.335 9.881 -0.345 1.00 0.00 C ATOM 683 CG ARG A 45 -2.095 11.196 -0.399 1.00 0.00 C ATOM 684 CD ARG A 45 -1.370 12.295 0.362 1.00 0.00 C ATOM 685 NE ARG A 45 -1.007 13.414 -0.505 1.00 0.00 N ATOM 686 CZ ARG A 45 -1.845 14.390 -0.849 1.00 0.00 C ATOM 687 NH1 ARG A 45 -3.096 14.388 -0.404 1.00 0.00 N ATOM 688 NH2 ARG A 45 -1.432 15.371 -1.639 1.00 0.00 N ATOM 0 H ARG A 45 -0.568 7.489 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.883 8.884 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.453 9.443 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.272 10.079 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.226 11.498 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.091 11.058 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.005 12.655 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.470 11.885 0.821 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.055 13.450 -0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.420 13.636 0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.733 15.138 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.472 15.378 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.074 16.118 -1.902 1.00 0.00 H new ATOM 702 N ASP A 46 -0.310 8.356 -3.230 1.00 0.00 N ATOM 703 CA ASP A 46 0.369 8.519 -4.515 1.00 0.00 C ATOM 704 C ASP A 46 0.881 9.942 -4.700 1.00 0.00 C ATOM 705 O ASP A 46 1.999 10.264 -4.313 1.00 0.00 O ATOM 706 CB ASP A 46 -0.544 8.119 -5.686 1.00 0.00 C ATOM 707 CG ASP A 46 -1.985 7.921 -5.272 1.00 0.00 C ATOM 708 OD1 ASP A 46 -2.305 6.830 -4.765 1.00 0.00 O ATOM 709 OD2 ASP A 46 -2.793 8.857 -5.458 1.00 0.00 O ATOM 0 H ASP A 46 -0.034 7.514 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 46 1.229 7.849 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.496 8.889 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.170 7.197 -6.132 1.00 0.00 H new ATOM 714 N THR A 47 0.057 10.785 -5.295 1.00 0.00 N ATOM 715 CA THR A 47 0.423 12.175 -5.539 1.00 0.00 C ATOM 716 C THR A 47 -0.694 13.131 -5.124 1.00 0.00 C ATOM 717 O THR A 47 -0.617 14.332 -5.380 1.00 0.00 O ATOM 718 CB THR A 47 0.760 12.380 -7.018 1.00 0.00 C ATOM 719 OG1 THR A 47 1.256 13.688 -7.242 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.425 12.174 -7.937 1.00 0.00 C ATOM 0 H THR A 47 -0.876 10.533 -5.621 1.00 0.00 H new ATOM 0 HA THR A 47 1.300 12.398 -4.932 1.00 0.00 H new ATOM 0 HB THR A 47 1.513 11.627 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.792 14.319 -6.653 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.117 12.335 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.800 11.157 -7.824 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.213 12.882 -7.679 1.00 0.00 H new ATOM 728 N GLN A 48 -1.731 12.597 -4.482 1.00 0.00 N ATOM 729 CA GLN A 48 -2.856 13.421 -4.037 1.00 0.00 C ATOM 730 C GLN A 48 -3.962 12.576 -3.414 1.00 0.00 C ATOM 731 O GLN A 48 -4.033 12.423 -2.194 1.00 0.00 O ATOM 732 CB GLN A 48 -3.408 14.254 -5.202 1.00 0.00 C ATOM 733 CG GLN A 48 -3.180 15.748 -5.042 1.00 0.00 C ATOM 734 CD GLN A 48 -3.661 16.543 -6.240 1.00 0.00 C ATOM 735 OE1 GLN A 48 -4.601 17.332 -6.140 1.00 0.00 O ATOM 736 NE2 GLN A 48 -3.018 16.340 -7.383 1.00 0.00 N ATOM 0 H GLN A 48 -1.817 11.605 -4.259 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.484 14.097 -3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.942 13.921 -6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.477 14.066 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.697 16.097 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.117 15.935 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.244 15.677 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.298 16.847 -8.223 1.00 0.00 H new ATOM 745 N ALA A 49 -4.823 12.042 -4.258 1.00 0.00 N ATOM 746 CA ALA A 49 -5.937 11.217 -3.805 1.00 0.00 C ATOM 747 C ALA A 49 -5.454 9.845 -3.359 1.00 0.00 C ATOM 748 O ALA A 49 -4.298 9.483 -3.582 1.00 0.00 O ATOM 749 CB ALA A 49 -6.975 11.079 -4.908 1.00 0.00 C ATOM 0 H ALA A 49 -4.775 12.163 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.397 11.709 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.801 10.461 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.351 12.066 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.519 10.612 -5.781 1.00 0.00 H new ATOM 755 N VAL A 50 -6.340 9.077 -2.730 1.00 0.00 N ATOM 756 CA VAL A 50 -5.981 7.746 -2.265 1.00 0.00 C ATOM 757 C VAL A 50 -6.261 6.698 -3.326 1.00 0.00 C ATOM 758 O VAL A 50 -7.292 6.726 -3.997 1.00 0.00 O ATOM 759 CB VAL A 50 -6.727 7.348 -0.976 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.304 5.953 -0.525 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.469 8.368 0.116 1.00 0.00 C ATOM 0 H VAL A 50 -7.302 9.353 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.913 7.786 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.797 7.329 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.840 5.687 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.538 5.231 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.231 5.943 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.002 8.075 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.400 8.416 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.820 9.347 -0.210 1.00 0.00 H new ATOM 771 N ARG A 51 -5.336 5.765 -3.451 1.00 0.00 N ATOM 772 CA ARG A 51 -5.461 4.681 -4.402 1.00 0.00 C ATOM 773 C ARG A 51 -5.150 3.370 -3.704 1.00 0.00 C ATOM 774 O ARG A 51 -4.010 3.115 -3.322 1.00 0.00 O ATOM 775 CB ARG A 51 -4.521 4.905 -5.588 1.00 0.00 C ATOM 776 CG ARG A 51 -4.596 6.320 -6.138 1.00 0.00 C ATOM 777 CD ARG A 51 -3.828 6.471 -7.443 1.00 0.00 C ATOM 778 NE ARG A 51 -4.719 6.717 -8.576 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.247 5.757 -9.332 1.00 0.00 C ATOM 780 NH1 ARG A 51 -4.987 4.479 -9.081 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.043 6.076 -10.344 1.00 0.00 N ATOM 0 H ARG A 51 -4.480 5.739 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.480 4.646 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.497 4.693 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.768 4.198 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.640 6.590 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.196 7.016 -5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.119 7.294 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.246 5.568 -7.628 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.950 7.685 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.378 4.226 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.396 3.751 -9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.249 7.055 -10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.449 5.342 -10.925 1.00 0.00 H new ATOM 795 N HIS A 52 -6.174 2.554 -3.509 1.00 0.00 N ATOM 796 CA HIS A 52 -6.001 1.284 -2.826 1.00 0.00 C ATOM 797 C HIS A 52 -5.545 0.219 -3.802 1.00 0.00 C ATOM 798 O HIS A 52 -5.727 0.364 -5.011 1.00 0.00 O ATOM 799 CB HIS A 52 -7.308 0.880 -2.151 1.00 0.00 C ATOM 800 CG HIS A 52 -7.739 1.908 -1.171 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.349 1.872 0.139 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.396 3.077 -1.340 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.722 2.978 0.737 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.368 3.732 -0.134 1.00 0.00 N ATOM 0 H HIS A 52 -7.128 2.748 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.232 1.390 -2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.084 0.743 -2.904 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.180 -0.078 -1.647 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.846 1.104 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.856 3.429 -2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.532 3.230 1.770 1.00 0.00 H new ATOM 813 N TYR A 53 -4.914 -0.834 -3.296 1.00 0.00 N ATOM 814 CA TYR A 53 -4.410 -1.866 -4.180 1.00 0.00 C ATOM 815 C TYR A 53 -4.387 -3.241 -3.537 1.00 0.00 C ATOM 816 O TYR A 53 -3.984 -3.400 -2.390 1.00 0.00 O ATOM 817 CB TYR A 53 -3.007 -1.477 -4.620 1.00 0.00 C ATOM 818 CG TYR A 53 -2.953 -0.129 -5.297 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.292 -0.004 -6.634 1.00 0.00 C ATOM 820 CD2 TYR A 53 -2.555 1.012 -4.610 1.00 0.00 C ATOM 821 CE1 TYR A 53 -3.238 1.218 -7.275 1.00 0.00 C ATOM 822 CE2 TYR A 53 -2.493 2.237 -5.246 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.835 2.334 -6.577 1.00 0.00 C ATOM 824 OH TYR A 53 -2.773 3.550 -7.213 1.00 0.00 O ATOM 0 H TYR A 53 -4.744 -0.990 -2.302 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.086 -1.937 -5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.349 -1.467 -3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.623 -2.235 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.604 -0.878 -7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.291 0.940 -3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.510 1.298 -8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.178 3.115 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.568 3.413 -8.161 1.00 0.00 H new ATOM 834 N LYS A 54 -4.795 -4.240 -4.308 1.00 0.00 N ATOM 835 CA LYS A 54 -4.795 -5.614 -3.847 1.00 0.00 C ATOM 836 C LYS A 54 -3.416 -6.218 -4.063 1.00 0.00 C ATOM 837 O LYS A 54 -2.994 -6.438 -5.198 1.00 0.00 O ATOM 838 CB LYS A 54 -5.849 -6.435 -4.597 1.00 0.00 C ATOM 839 CG LYS A 54 -5.789 -7.927 -4.303 1.00 0.00 C ATOM 840 CD LYS A 54 -6.710 -8.714 -5.222 1.00 0.00 C ATOM 841 CE LYS A 54 -5.970 -9.219 -6.451 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.903 -9.744 -7.486 1.00 0.00 N ATOM 0 H LYS A 54 -5.132 -4.118 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.040 -5.631 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.840 -6.062 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.722 -6.280 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.765 -8.281 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.070 -8.106 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.134 -9.558 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.543 -8.083 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.376 -8.409 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.274 -10.005 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.359 -10.078 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.452 -10.534 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.551 -8.988 -7.785 1.00 0.00 H new ATOM 856 N ILE A 55 -2.724 -6.496 -2.972 1.00 0.00 N ATOM 857 CA ILE A 55 -1.403 -7.086 -3.038 1.00 0.00 C ATOM 858 C ILE A 55 -1.563 -8.594 -3.006 1.00 0.00 C ATOM 859 O ILE A 55 -1.786 -9.182 -1.950 1.00 0.00 O ATOM 860 CB ILE A 55 -0.505 -6.623 -1.871 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.855 -5.201 -1.414 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.961 -6.689 -2.263 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.671 -5.008 0.071 1.00 0.00 C ATOM 0 H ILE A 55 -3.060 -6.320 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.915 -6.765 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.686 -7.302 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.230 -4.487 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.889 -4.982 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.577 -6.358 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.222 -7.715 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.138 -6.041 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.933 -3.985 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.316 -5.701 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.369 -5.198 0.337 1.00 0.00 H new ATOM 875 N TRP A 56 -1.508 -9.205 -4.178 1.00 0.00 N ATOM 876 CA TRP A 56 -1.717 -10.642 -4.302 1.00 0.00 C ATOM 877 C TRP A 56 -0.450 -11.442 -4.029 1.00 0.00 C ATOM 878 O TRP A 56 0.582 -11.244 -4.670 1.00 0.00 O ATOM 879 CB TRP A 56 -2.258 -10.959 -5.699 1.00 0.00 C ATOM 880 CG TRP A 56 -2.762 -12.363 -5.861 1.00 0.00 C ATOM 881 CD1 TRP A 56 -2.851 -13.325 -4.895 1.00 0.00 C ATOM 882 CD2 TRP A 56 -3.251 -12.962 -7.068 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.361 -14.484 -5.429 1.00 0.00 N ATOM 884 CE2 TRP A 56 -3.615 -14.286 -6.760 1.00 0.00 C ATOM 885 CE3 TRP A 56 -3.416 -12.506 -8.379 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -4.132 -15.158 -7.716 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -3.929 -13.372 -9.326 1.00 0.00 C ATOM 888 CH2 TRP A 56 -4.282 -14.684 -8.990 1.00 0.00 C ATOM 0 H TRP A 56 -1.320 -8.729 -5.060 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.443 -10.938 -3.545 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.067 -10.266 -5.929 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.469 -10.782 -6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.563 -13.194 -3.863 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.524 -15.351 -4.917 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.147 -11.495 -8.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -4.404 -16.171 -7.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.060 -13.031 -10.342 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -4.681 -15.336 -9.753 1.00 0.00 H new ATOM 899 N ARG A 57 -0.554 -12.360 -3.071 1.00 0.00 N ATOM 900 CA ARG A 57 0.557 -13.220 -2.694 1.00 0.00 C ATOM 901 C ARG A 57 0.617 -14.434 -3.616 1.00 0.00 C ATOM 902 O ARG A 57 -0.352 -15.182 -3.744 1.00 0.00 O ATOM 903 CB ARG A 57 0.400 -13.666 -1.237 1.00 0.00 C ATOM 904 CG ARG A 57 1.446 -14.673 -0.779 1.00 0.00 C ATOM 905 CD ARG A 57 0.951 -15.486 0.407 1.00 0.00 C ATOM 906 NE ARG A 57 1.962 -16.423 0.888 1.00 0.00 N ATOM 907 CZ ARG A 57 1.946 -16.975 2.100 1.00 0.00 C ATOM 908 NH1 ARG A 57 0.974 -16.687 2.957 1.00 0.00 N ATOM 909 NH2 ARG A 57 2.905 -17.819 2.457 1.00 0.00 N ATOM 0 H ARG A 57 -1.408 -12.526 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 57 1.488 -12.662 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.449 -12.788 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.590 -14.102 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.694 -15.342 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.362 -14.150 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.667 -14.812 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.054 -16.036 0.121 1.00 0.00 H new ATOM 0 HE ARG A 57 2.726 -16.670 0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.233 -16.039 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.968 -17.113 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.655 -18.045 1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.893 -18.242 3.385 1.00 0.00 H new ATOM 923 N ARG A 58 1.761 -14.614 -4.260 1.00 0.00 N ATOM 924 CA ARG A 58 1.965 -15.723 -5.183 1.00 0.00 C ATOM 925 C ARG A 58 1.643 -17.065 -4.528 1.00 0.00 C ATOM 926 O ARG A 58 0.486 -17.482 -4.482 1.00 0.00 O ATOM 927 CB ARG A 58 3.403 -15.695 -5.705 1.00 0.00 C ATOM 928 CG ARG A 58 3.561 -14.930 -7.011 1.00 0.00 C ATOM 929 CD ARG A 58 4.351 -15.726 -8.038 1.00 0.00 C ATOM 930 NE ARG A 58 5.393 -14.923 -8.673 1.00 0.00 N ATOM 931 CZ ARG A 58 5.146 -13.881 -9.464 1.00 0.00 C ATOM 932 NH1 ARG A 58 3.896 -13.513 -9.718 1.00 0.00 N ATOM 933 NH2 ARG A 58 6.151 -13.206 -10.003 1.00 0.00 N ATOM 0 H ARG A 58 2.570 -14.000 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 58 1.279 -15.608 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.046 -15.244 -4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.749 -16.719 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.577 -14.692 -7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.065 -13.983 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.805 -16.591 -7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.672 -16.107 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 58 6.366 -15.175 -8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.119 -14.029 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.713 -12.714 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.113 -13.485 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.962 -12.408 -10.609 1.00 0.00 H new ATOM 947 N ALA A 59 2.669 -17.734 -4.027 1.00 0.00 N ATOM 948 CA ALA A 59 2.503 -19.029 -3.378 1.00 0.00 C ATOM 949 C ALA A 59 3.703 -19.350 -2.499 1.00 0.00 C ATOM 950 O ALA A 59 4.678 -19.951 -2.953 1.00 0.00 O ATOM 951 CB ALA A 59 2.301 -20.119 -4.420 1.00 0.00 C ATOM 0 H ALA A 59 3.633 -17.401 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 59 1.618 -18.984 -2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.178 -21.081 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.410 -19.899 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.169 -20.159 -5.077 1.00 0.00 H new ATOM 957 N GLY A 60 3.631 -18.938 -1.238 1.00 0.00 N ATOM 958 CA GLY A 60 4.722 -19.182 -0.315 1.00 0.00 C ATOM 959 C GLY A 60 5.428 -17.903 0.085 1.00 0.00 C ATOM 960 O GLY A 60 6.005 -17.817 1.168 1.00 0.00 O ATOM 0 H GLY A 60 2.836 -18.439 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.338 -19.677 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.439 -19.863 -0.774 1.00 0.00 H new ATOM 964 N GLY A 61 5.377 -16.902 -0.791 1.00 0.00 N ATOM 965 CA GLY A 61 6.016 -15.634 -0.499 1.00 0.00 C ATOM 966 C GLY A 61 6.368 -14.848 -1.748 1.00 0.00 C ATOM 967 O GLY A 61 7.449 -15.018 -2.311 1.00 0.00 O ATOM 0 H GLY A 61 4.906 -16.948 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.354 -15.035 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.923 -15.814 0.078 1.00 0.00 H new ATOM 971 N ARG A 62 5.455 -13.978 -2.176 1.00 0.00 N ATOM 972 CA ARG A 62 5.671 -13.149 -3.359 1.00 0.00 C ATOM 973 C ARG A 62 4.439 -12.297 -3.656 1.00 0.00 C ATOM 974 O ARG A 62 3.487 -12.754 -4.284 1.00 0.00 O ATOM 975 CB ARG A 62 6.029 -14.013 -4.570 1.00 0.00 C ATOM 976 CG ARG A 62 7.453 -13.807 -5.059 1.00 0.00 C ATOM 977 CD ARG A 62 7.686 -14.483 -6.401 1.00 0.00 C ATOM 978 NE ARG A 62 9.107 -14.593 -6.719 1.00 0.00 N ATOM 979 CZ ARG A 62 9.873 -13.557 -7.055 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.358 -12.336 -7.122 1.00 0.00 N ATOM 981 NH2 ARG A 62 11.157 -13.744 -7.326 1.00 0.00 N ATOM 0 H ARG A 62 4.555 -13.829 -1.719 1.00 0.00 H new ATOM 0 HA ARG A 62 6.508 -12.482 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.890 -15.063 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.338 -13.790 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.657 -12.740 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.152 -14.205 -4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.239 -15.477 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.182 -13.917 -7.184 1.00 0.00 H new ATOM 0 HE ARG A 62 9.538 -15.517 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.370 -12.187 -6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.950 -11.546 -7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.557 -14.681 -7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.745 -12.951 -7.584 1.00 0.00 H new ATOM 995 N LEU A 63 4.473 -11.052 -3.193 1.00 0.00 N ATOM 996 CA LEU A 63 3.367 -10.121 -3.393 1.00 0.00 C ATOM 997 C LEU A 63 3.469 -9.428 -4.741 1.00 0.00 C ATOM 998 O LEU A 63 4.563 -9.190 -5.247 1.00 0.00 O ATOM 999 CB LEU A 63 3.349 -9.068 -2.284 1.00 0.00 C ATOM 1000 CG LEU A 63 2.772 -9.543 -0.955 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.355 -10.058 -1.148 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.658 -10.620 -0.347 1.00 0.00 C ATOM 0 H LEU A 63 5.259 -10.662 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 63 2.442 -10.697 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.368 -8.720 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.772 -8.210 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 63 2.739 -8.698 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.956 -10.394 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.728 -9.258 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.363 -10.892 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.233 -10.949 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.721 -11.467 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.656 -10.217 -0.176 1.00 0.00 H new ATOM 1014 N HIS A 64 2.320 -9.095 -5.313 1.00 0.00 N ATOM 1015 CA HIS A 64 2.275 -8.417 -6.595 1.00 0.00 C ATOM 1016 C HIS A 64 0.971 -7.645 -6.747 1.00 0.00 C ATOM 1017 O HIS A 64 -0.065 -8.212 -7.095 1.00 0.00 O ATOM 1018 CB HIS A 64 2.459 -9.417 -7.745 1.00 0.00 C ATOM 1019 CG HIS A 64 1.291 -10.332 -7.965 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.322 -10.095 -8.917 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.951 -11.498 -7.367 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.564 -11.074 -8.895 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.205 -11.939 -7.964 1.00 0.00 N ATOM 0 H HIS A 64 1.405 -9.286 -4.905 1.00 0.00 H new ATOM 0 HA HIS A 64 3.098 -7.703 -6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.649 -8.863 -8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.345 -10.020 -7.547 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.294 -9.289 -9.541 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.488 -11.990 -6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.434 -11.154 -9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.705 -12.796 -7.727 1.00 0.00 H new ATOM 1032 N LEU A 65 1.023 -6.345 -6.484 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.161 -5.504 -6.601 1.00 0.00 C ATOM 1034 C LEU A 65 -0.686 -5.542 -8.028 1.00 0.00 C ATOM 1035 O LEU A 65 -1.878 -5.371 -8.281 1.00 0.00 O ATOM 1036 CB LEU A 65 0.156 -4.064 -6.204 1.00 0.00 C ATOM 1037 CG LEU A 65 0.484 -3.857 -4.727 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.898 -4.330 -4.430 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.317 -2.394 -4.345 1.00 0.00 C ATOM 0 H LEU A 65 1.867 -5.853 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.924 -5.889 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.000 -3.717 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.697 -3.436 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.211 -4.448 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.119 -4.177 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.985 -5.390 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.606 -3.763 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.555 -2.264 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.989 -1.782 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.713 -2.086 -4.526 1.00 0.00 H new ATOM 1051 N ASN A 66 0.234 -5.773 -8.952 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.084 -5.849 -10.369 1.00 0.00 C ATOM 1053 C ASN A 66 0.655 -7.017 -11.014 1.00 0.00 C ATOM 1054 O ASN A 66 1.460 -7.687 -10.365 1.00 0.00 O ATOM 1055 CB ASN A 66 0.289 -4.542 -11.070 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.606 -4.248 -12.259 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.640 -4.889 -12.446 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -0.211 -3.275 -13.071 1.00 0.00 N ATOM 0 H ASN A 66 1.222 -5.913 -8.740 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.157 -6.009 -10.475 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.224 -3.719 -10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.326 -4.594 -11.403 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.772 -3.033 -13.888 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.653 -2.769 -12.878 1.00 0.00 H new ATOM 1065 N GLU A 67 0.379 -7.257 -12.290 1.00 0.00 N ATOM 1066 CA GLU A 67 1.017 -8.350 -13.016 1.00 0.00 C ATOM 1067 C GLU A 67 2.426 -7.978 -13.479 1.00 0.00 C ATOM 1068 O GLU A 67 2.944 -8.562 -14.432 1.00 0.00 O ATOM 1069 CB GLU A 67 0.164 -8.747 -14.223 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.138 -7.590 -15.162 1.00 0.00 C ATOM 1071 CD GLU A 67 -0.814 -8.040 -16.442 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -1.518 -9.071 -16.412 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -0.640 -7.361 -17.477 1.00 0.00 O ATOM 0 H GLU A 67 -0.281 -6.711 -12.843 1.00 0.00 H new ATOM 0 HA GLU A 67 1.101 -9.194 -12.332 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.679 -9.530 -14.779 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.776 -9.172 -13.869 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.777 -6.870 -14.651 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.790 -7.074 -15.408 1.00 0.00 H new ATOM 1080 N ALA A 68 3.047 -7.010 -12.808 1.00 0.00 N ATOM 1081 CA ALA A 68 4.392 -6.583 -13.171 1.00 0.00 C ATOM 1082 C ALA A 68 5.199 -6.123 -11.955 1.00 0.00 C ATOM 1083 O ALA A 68 6.278 -5.552 -12.109 1.00 0.00 O ATOM 1084 CB ALA A 68 4.324 -5.470 -14.205 1.00 0.00 C ATOM 0 H ALA A 68 2.642 -6.511 -12.016 1.00 0.00 H new ATOM 0 HA ALA A 68 4.906 -7.446 -13.595 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.334 -5.157 -14.470 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.811 -5.832 -15.096 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.779 -4.622 -13.791 1.00 0.00 H new ATOM 1090 N VAL A 69 4.686 -6.367 -10.748 1.00 0.00 N ATOM 1091 CA VAL A 69 5.394 -5.959 -9.536 1.00 0.00 C ATOM 1092 C VAL A 69 5.405 -7.071 -8.486 1.00 0.00 C ATOM 1093 O VAL A 69 4.913 -6.891 -7.373 1.00 0.00 O ATOM 1094 CB VAL A 69 4.776 -4.686 -8.922 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.815 -3.537 -9.917 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.350 -4.946 -8.456 1.00 0.00 C ATOM 0 H VAL A 69 3.796 -6.838 -10.585 1.00 0.00 H new ATOM 0 HA VAL A 69 6.421 -5.747 -9.835 1.00 0.00 H new ATOM 0 HB VAL A 69 5.371 -4.406 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.374 -2.649 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.849 -3.329 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.250 -3.808 -10.809 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.935 -4.034 -8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.741 -5.257 -9.305 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.351 -5.734 -7.702 1.00 0.00 H new ATOM 1106 N SER A 70 5.974 -8.218 -8.844 1.00 0.00 N ATOM 1107 CA SER A 70 6.046 -9.353 -7.928 1.00 0.00 C ATOM 1108 C SER A 70 7.264 -9.250 -7.012 1.00 0.00 C ATOM 1109 O SER A 70 8.373 -8.970 -7.466 1.00 0.00 O ATOM 1110 CB SER A 70 6.095 -10.664 -8.714 1.00 0.00 C ATOM 1111 OG SER A 70 6.615 -10.461 -10.017 1.00 0.00 O ATOM 0 H SER A 70 6.391 -8.387 -9.759 1.00 0.00 H new ATOM 0 HA SER A 70 5.151 -9.339 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.713 -11.387 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.093 -11.088 -8.781 1.00 0.00 H new ATOM 0 HG SER A 70 7.425 -11.000 -10.133 1.00 0.00 H new ATOM 1117 N PHE A 71 7.048 -9.481 -5.717 1.00 0.00 N ATOM 1118 CA PHE A 71 8.125 -9.420 -4.733 1.00 0.00 C ATOM 1119 C PHE A 71 7.811 -10.277 -3.514 1.00 0.00 C ATOM 1120 O PHE A 71 6.777 -10.118 -2.870 1.00 0.00 O ATOM 1121 CB PHE A 71 8.394 -7.972 -4.323 1.00 0.00 C ATOM 1122 CG PHE A 71 9.619 -7.403 -4.977 1.00 0.00 C ATOM 1123 CD1 PHE A 71 9.551 -6.847 -6.246 1.00 0.00 C ATOM 1124 CD2 PHE A 71 10.842 -7.433 -4.329 1.00 0.00 C ATOM 1125 CE1 PHE A 71 10.680 -6.332 -6.853 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.975 -6.919 -4.931 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.894 -6.368 -6.195 1.00 0.00 C ATOM 0 H PHE A 71 6.135 -9.712 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 71 9.026 -9.822 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.531 -7.359 -4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.508 -7.920 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.605 -6.816 -6.765 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.912 -7.863 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.614 -5.902 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.923 -6.948 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.778 -5.966 -6.668 1.00 0.00 H new ATOM 1137 N LEU A 72 8.733 -11.191 -3.231 1.00 0.00 N ATOM 1138 CA LEU A 72 8.643 -12.135 -2.112 1.00 0.00 C ATOM 1139 C LEU A 72 7.729 -11.674 -0.970 1.00 0.00 C ATOM 1140 O LEU A 72 6.970 -12.475 -0.424 1.00 0.00 O ATOM 1141 CB LEU A 72 10.045 -12.386 -1.566 1.00 0.00 C ATOM 1142 CG LEU A 72 10.913 -11.134 -1.461 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.672 -10.436 -0.130 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.384 -11.488 -1.625 1.00 0.00 C ATOM 0 H LEU A 72 9.584 -11.302 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 72 8.194 -13.046 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.962 -12.840 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.548 -13.110 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 72 10.637 -10.451 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.297 -9.545 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.623 -10.149 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.923 -11.113 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.987 -10.583 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.679 -12.189 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.541 -11.946 -2.602 1.00 0.00 H new ATOM 1156 N SER A 73 7.813 -10.402 -0.590 1.00 0.00 N ATOM 1157 CA SER A 73 6.996 -9.893 0.509 1.00 0.00 C ATOM 1158 C SER A 73 6.654 -8.418 0.338 1.00 0.00 C ATOM 1159 O SER A 73 7.140 -7.756 -0.580 1.00 0.00 O ATOM 1160 CB SER A 73 7.723 -10.103 1.838 1.00 0.00 C ATOM 1161 OG SER A 73 6.830 -9.988 2.934 1.00 0.00 O ATOM 0 H SER A 73 8.430 -9.712 -1.020 1.00 0.00 H new ATOM 0 HA SER A 73 6.059 -10.451 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.191 -11.087 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.523 -9.369 1.938 1.00 0.00 H new ATOM 0 HG SER A 73 7.320 -10.128 3.771 1.00 0.00 H new ATOM 1167 N LEU A 74 5.814 -7.906 1.240 1.00 0.00 N ATOM 1168 CA LEU A 74 5.407 -6.506 1.201 1.00 0.00 C ATOM 1169 C LEU A 74 6.623 -5.585 1.261 1.00 0.00 C ATOM 1170 O LEU A 74 6.883 -4.833 0.327 1.00 0.00 O ATOM 1171 CB LEU A 74 4.474 -6.170 2.362 1.00 0.00 C ATOM 1172 CG LEU A 74 2.987 -6.145 2.014 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.745 -5.364 0.728 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.439 -7.558 1.891 1.00 0.00 C ATOM 0 H LEU A 74 5.404 -8.442 2.005 1.00 0.00 H new ATOM 0 HA LEU A 74 4.878 -6.351 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.633 -6.898 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.754 -5.195 2.762 1.00 0.00 H new ATOM 0 HG LEU A 74 2.459 -5.642 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.679 -5.360 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.093 -4.339 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.289 -5.834 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.378 -7.517 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.975 -8.089 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.570 -8.083 2.837 1.00 0.00 H new ATOM 1186 N PRO A 75 7.387 -5.630 2.376 1.00 0.00 N ATOM 1187 CA PRO A 75 8.576 -4.801 2.573 1.00 0.00 C ATOM 1188 C PRO A 75 9.390 -4.634 1.295 1.00 0.00 C ATOM 1189 O PRO A 75 9.799 -3.525 0.949 1.00 0.00 O ATOM 1190 CB PRO A 75 9.386 -5.565 3.635 1.00 0.00 C ATOM 1191 CG PRO A 75 8.557 -6.755 4.023 1.00 0.00 C ATOM 1192 CD PRO A 75 7.158 -6.488 3.541 1.00 0.00 C ATOM 0 HA PRO A 75 8.313 -3.787 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.352 -5.877 3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.587 -4.933 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.953 -7.665 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.572 -6.901 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.638 -7.408 3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.554 -5.990 4.300 1.00 0.00 H new ATOM 1200 N GLU A 76 9.611 -5.737 0.592 1.00 0.00 N ATOM 1201 CA GLU A 76 10.363 -5.704 -0.653 1.00 0.00 C ATOM 1202 C GLU A 76 9.464 -5.241 -1.791 1.00 0.00 C ATOM 1203 O GLU A 76 9.894 -4.510 -2.684 1.00 0.00 O ATOM 1204 CB GLU A 76 10.943 -7.084 -0.959 1.00 0.00 C ATOM 1205 CG GLU A 76 11.754 -7.670 0.187 1.00 0.00 C ATOM 1206 CD GLU A 76 12.765 -6.691 0.752 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.344 -5.645 1.289 1.00 0.00 O ATOM 1208 OE2 GLU A 76 13.979 -6.972 0.659 1.00 0.00 O ATOM 0 H GLU A 76 9.281 -6.663 0.863 1.00 0.00 H new ATOM 0 HA GLU A 76 11.188 -4.999 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.128 -7.766 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.576 -7.015 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.077 -7.985 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.274 -8.562 -0.161 1.00 0.00 H new ATOM 1215 N LEU A 77 8.204 -5.660 -1.739 1.00 0.00 N ATOM 1216 CA LEU A 77 7.227 -5.279 -2.750 1.00 0.00 C ATOM 1217 C LEU A 77 7.038 -3.763 -2.742 1.00 0.00 C ATOM 1218 O LEU A 77 7.010 -3.125 -3.795 1.00 0.00 O ATOM 1219 CB LEU A 77 5.897 -6.007 -2.486 1.00 0.00 C ATOM 1220 CG LEU A 77 4.632 -5.330 -3.028 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.192 -4.200 -2.106 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.850 -4.822 -4.448 1.00 0.00 C ATOM 0 H LEU A 77 7.836 -6.265 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 77 7.586 -5.571 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.962 -7.006 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.783 -6.132 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 77 3.835 -6.073 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.293 -3.732 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.981 -4.601 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.987 -3.458 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.938 -4.346 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.664 -4.097 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.104 -5.659 -5.099 1.00 0.00 H new ATOM 1234 N VAL A 78 6.928 -3.194 -1.545 1.00 0.00 N ATOM 1235 CA VAL A 78 6.766 -1.756 -1.391 1.00 0.00 C ATOM 1236 C VAL A 78 8.040 -1.046 -1.834 1.00 0.00 C ATOM 1237 O VAL A 78 7.989 0.021 -2.445 1.00 0.00 O ATOM 1238 CB VAL A 78 6.407 -1.383 0.070 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.900 0.013 0.441 1.00 0.00 C ATOM 1240 CG2 VAL A 78 4.901 -1.489 0.278 1.00 0.00 C ATOM 0 H VAL A 78 6.948 -3.711 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 78 5.939 -1.430 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 78 6.914 -2.089 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.627 0.233 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.984 0.056 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.442 0.748 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.656 -1.225 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.391 -0.807 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.577 -2.510 0.078 1.00 0.00 H new ATOM 1250 N ASN A 79 9.186 -1.662 -1.547 1.00 0.00 N ATOM 1251 CA ASN A 79 10.469 -1.099 -1.948 1.00 0.00 C ATOM 1252 C ASN A 79 10.510 -0.980 -3.464 1.00 0.00 C ATOM 1253 O ASN A 79 10.803 0.084 -4.013 1.00 0.00 O ATOM 1254 CB ASN A 79 11.620 -1.978 -1.454 1.00 0.00 C ATOM 1255 CG ASN A 79 12.974 -1.324 -1.655 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.077 -0.101 -1.756 1.00 0.00 O ATOM 1257 ND2 ASN A 79 14.021 -2.138 -1.716 1.00 0.00 N ATOM 0 H ASN A 79 9.250 -2.546 -1.041 1.00 0.00 H new ATOM 0 HA ASN A 79 10.582 -0.111 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.478 -2.196 -0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.598 -2.931 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.957 -1.756 -1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.889 -3.146 -1.627 1.00 0.00 H new ATOM 1264 N TYR A 80 10.175 -2.076 -4.136 1.00 0.00 N ATOM 1265 CA TYR A 80 10.133 -2.091 -5.588 1.00 0.00 C ATOM 1266 C TYR A 80 9.060 -1.124 -6.065 1.00 0.00 C ATOM 1267 O TYR A 80 9.204 -0.470 -7.097 1.00 0.00 O ATOM 1268 CB TYR A 80 9.840 -3.501 -6.102 1.00 0.00 C ATOM 1269 CG TYR A 80 9.733 -3.591 -7.608 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.858 -3.462 -8.413 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.506 -3.806 -8.225 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.764 -3.544 -9.790 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.406 -3.891 -9.601 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.537 -3.759 -10.378 1.00 0.00 C ATOM 1275 OH TYR A 80 9.441 -3.843 -11.749 1.00 0.00 O ATOM 0 H TYR A 80 9.929 -2.963 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 80 11.103 -1.783 -5.979 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.628 -4.173 -5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.908 -3.853 -5.659 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.822 -3.295 -7.956 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.617 -3.908 -7.620 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.648 -3.440 -10.401 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.446 -4.060 -10.065 1.00 0.00 H new ATOM 0 HH TYR A 80 10.263 -3.497 -12.156 1.00 0.00 H new ATOM 1285 N HIS A 81 7.989 -1.025 -5.278 1.00 0.00 N ATOM 1286 CA HIS A 81 6.894 -0.120 -5.589 1.00 0.00 C ATOM 1287 C HIS A 81 7.408 1.314 -5.622 1.00 0.00 C ATOM 1288 O HIS A 81 6.878 2.160 -6.341 1.00 0.00 O ATOM 1289 CB HIS A 81 5.771 -0.261 -4.556 1.00 0.00 C ATOM 1290 CG HIS A 81 4.446 -0.606 -5.159 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.309 -1.456 -6.235 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.194 -0.210 -4.832 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.030 -1.567 -6.546 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.332 -0.822 -5.709 1.00 0.00 N ATOM 0 H HIS A 81 7.861 -1.563 -4.421 1.00 0.00 H new ATOM 0 HA HIS A 81 6.490 -0.376 -6.568 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.045 -1.032 -3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.677 0.674 -4.003 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.076 -1.926 -6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.923 0.462 -4.031 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.624 -2.165 -7.348 1.00 0.00 H new ATOM 1303 N ARG A 82 8.462 1.574 -4.847 1.00 0.00 N ATOM 1304 CA ARG A 82 9.060 2.899 -4.801 1.00 0.00 C ATOM 1305 C ARG A 82 9.895 3.140 -6.047 1.00 0.00 C ATOM 1306 O ARG A 82 10.063 4.274 -6.496 1.00 0.00 O ATOM 1307 CB ARG A 82 9.910 3.063 -3.538 1.00 0.00 C ATOM 1308 CG ARG A 82 10.727 4.346 -3.509 1.00 0.00 C ATOM 1309 CD ARG A 82 11.404 4.545 -2.163 1.00 0.00 C ATOM 1310 NE ARG A 82 11.840 5.926 -1.967 1.00 0.00 N ATOM 1311 CZ ARG A 82 12.857 6.482 -2.621 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.546 5.779 -3.513 1.00 0.00 N ATOM 1313 NH2 ARG A 82 13.188 7.743 -2.382 1.00 0.00 N ATOM 0 H ARG A 82 8.914 0.884 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 82 8.262 3.641 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.256 3.040 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.585 2.212 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.481 4.316 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.079 5.196 -3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.715 4.266 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.264 3.879 -2.088 1.00 0.00 H new ATOM 0 HE ARG A 82 11.335 6.497 -1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.297 4.808 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.324 6.210 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.663 8.287 -1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.967 8.169 -2.883 1.00 0.00 H new ATOM 1327 N ALA A 83 10.398 2.060 -6.609 1.00 0.00 N ATOM 1328 CA ALA A 83 11.192 2.141 -7.820 1.00 0.00 C ATOM 1329 C ALA A 83 10.263 2.302 -9.016 1.00 0.00 C ATOM 1330 O ALA A 83 10.275 3.324 -9.701 1.00 0.00 O ATOM 1331 CB ALA A 83 12.061 0.902 -7.977 1.00 0.00 C ATOM 0 H ALA A 83 10.272 1.115 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 83 11.854 3.005 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.648 0.983 -8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.731 0.817 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.427 0.017 -8.030 1.00 0.00 H new ATOM 1337 N GLN A 84 9.445 1.279 -9.238 1.00 0.00 N ATOM 1338 CA GLN A 84 8.476 1.278 -10.328 1.00 0.00 C ATOM 1339 C GLN A 84 7.096 1.705 -9.829 1.00 0.00 C ATOM 1340 O GLN A 84 6.598 1.174 -8.837 1.00 0.00 O ATOM 1341 CB GLN A 84 8.400 -0.109 -10.970 1.00 0.00 C ATOM 1342 CG GLN A 84 8.787 -0.120 -12.441 1.00 0.00 C ATOM 1343 CD GLN A 84 9.627 -1.325 -12.814 1.00 0.00 C ATOM 1344 OE1 GLN A 84 10.660 -1.593 -12.199 1.00 0.00 O ATOM 1345 NE2 GLN A 84 9.187 -2.062 -13.827 1.00 0.00 N ATOM 0 H GLN A 84 9.434 0.431 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 84 8.807 1.996 -11.078 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.055 -0.789 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.385 -0.493 -10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.883 -0.109 -13.051 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.340 0.790 -12.674 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.326 -1.804 -14.309 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.710 -2.886 -14.123 1.00 0.00 H new ATOM 1354 N SER A 85 6.476 2.654 -10.523 1.00 0.00 N ATOM 1355 CA SER A 85 5.148 3.127 -10.140 1.00 0.00 C ATOM 1356 C SER A 85 4.059 2.401 -10.929 1.00 0.00 C ATOM 1357 O SER A 85 3.074 3.008 -11.352 1.00 0.00 O ATOM 1358 CB SER A 85 5.035 4.639 -10.353 1.00 0.00 C ATOM 1359 OG SER A 85 6.160 5.145 -11.049 1.00 0.00 O ATOM 0 H SER A 85 6.867 3.109 -11.348 1.00 0.00 H new ATOM 0 HA SER A 85 5.006 2.909 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.127 4.863 -10.913 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.946 5.139 -9.388 1.00 0.00 H new ATOM 0 HG SER A 85 6.060 6.112 -11.173 1.00 0.00 H new ATOM 1365 N LEU A 86 4.243 1.100 -11.127 1.00 0.00 N ATOM 1366 CA LEU A 86 3.277 0.296 -11.868 1.00 0.00 C ATOM 1367 C LEU A 86 1.910 0.306 -11.187 1.00 0.00 C ATOM 1368 O LEU A 86 0.939 0.828 -11.733 1.00 0.00 O ATOM 1369 CB LEU A 86 3.783 -1.141 -12.008 1.00 0.00 C ATOM 1370 CG LEU A 86 4.491 -1.449 -13.328 1.00 0.00 C ATOM 1371 CD1 LEU A 86 5.605 -2.462 -13.114 1.00 0.00 C ATOM 1372 CD2 LEU A 86 3.495 -1.957 -14.359 1.00 0.00 C ATOM 0 H LEU A 86 5.051 0.580 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 86 3.165 0.735 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.469 -1.351 -11.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.938 -1.821 -11.899 1.00 0.00 H new ATOM 0 HG LEU A 86 4.936 -0.528 -13.704 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.097 -2.668 -14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.332 -2.059 -12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.185 -3.385 -12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.015 -2.171 -15.293 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.022 -2.867 -13.990 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.733 -1.197 -14.534 1.00 0.00 H new ATOM 1384 N SER A 87 1.842 -0.278 -9.995 1.00 0.00 N ATOM 1385 CA SER A 87 0.591 -0.339 -9.244 1.00 0.00 C ATOM 1386 C SER A 87 0.466 0.828 -8.264 1.00 0.00 C ATOM 1387 O SER A 87 -0.514 0.924 -7.527 1.00 0.00 O ATOM 1388 CB SER A 87 0.491 -1.667 -8.491 1.00 0.00 C ATOM 1389 OG SER A 87 -0.806 -2.226 -8.612 1.00 0.00 O ATOM 0 H SER A 87 2.636 -0.715 -9.528 1.00 0.00 H new ATOM 0 HA SER A 87 -0.229 -0.266 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.230 -2.367 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.726 -1.510 -7.438 1.00 0.00 H new ATOM 0 HG SER A 87 -1.475 -1.563 -8.340 1.00 0.00 H new ATOM 1395 N HIS A 88 1.457 1.716 -8.265 1.00 0.00 N ATOM 1396 CA HIS A 88 1.448 2.875 -7.382 1.00 0.00 C ATOM 1397 C HIS A 88 1.486 4.154 -8.213 1.00 0.00 C ATOM 1398 O HIS A 88 2.269 4.271 -9.156 1.00 0.00 O ATOM 1399 CB HIS A 88 2.634 2.796 -6.407 1.00 0.00 C ATOM 1400 CG HIS A 88 2.850 4.025 -5.552 1.00 0.00 C ATOM 1401 ND1 HIS A 88 2.576 5.310 -5.963 1.00 0.00 N ATOM 1402 CD2 HIS A 88 3.340 4.151 -4.299 1.00 0.00 C ATOM 1403 CE1 HIS A 88 2.889 6.159 -5.006 1.00 0.00 C ATOM 1404 NE2 HIS A 88 3.353 5.480 -3.984 1.00 0.00 N ATOM 0 H HIS A 88 2.277 1.653 -8.869 1.00 0.00 H new ATOM 0 HA HIS A 88 0.531 2.885 -6.792 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.487 1.938 -5.751 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.542 2.608 -6.980 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.664 3.343 -3.659 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.782 7.233 -5.054 1.00 0.00 H new ATOM 0 HE2 HIS A 88 3.671 5.878 -3.100 1.00 0.00 H new ATOM 1413 N GLY A 89 0.621 5.105 -7.867 1.00 0.00 N ATOM 1414 CA GLY A 89 0.553 6.357 -8.602 1.00 0.00 C ATOM 1415 C GLY A 89 1.536 7.415 -8.124 1.00 0.00 C ATOM 1416 O GLY A 89 1.125 8.528 -7.802 1.00 0.00 O ATOM 0 H GLY A 89 -0.035 5.030 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.737 6.156 -9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.459 6.756 -8.525 1.00 0.00 H new ATOM 1420 N LEU A 90 2.834 7.074 -8.095 1.00 0.00 N ATOM 1421 CA LEU A 90 3.897 8.005 -7.667 1.00 0.00 C ATOM 1422 C LEU A 90 5.013 7.278 -6.890 1.00 0.00 C ATOM 1423 O LEU A 90 5.888 7.916 -6.309 1.00 0.00 O ATOM 1424 CB LEU A 90 3.316 9.155 -6.818 1.00 0.00 C ATOM 1425 CG LEU A 90 4.334 10.040 -6.091 1.00 0.00 C ATOM 1426 CD1 LEU A 90 3.890 11.497 -6.125 1.00 0.00 C ATOM 1427 CD2 LEU A 90 4.523 9.573 -4.652 1.00 0.00 C ATOM 0 H LEU A 90 3.177 6.152 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 90 4.338 8.427 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.713 9.789 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.643 8.727 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 90 5.291 9.957 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.623 12.113 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.807 11.828 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.921 11.594 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.250 10.215 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.571 9.625 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.884 8.545 -4.648 1.00 0.00 H new ATOM 1439 N ARG A 91 4.992 5.943 -6.895 1.00 0.00 N ATOM 1440 CA ARG A 91 6.013 5.158 -6.198 1.00 0.00 C ATOM 1441 C ARG A 91 5.981 5.417 -4.690 1.00 0.00 C ATOM 1442 O ARG A 91 5.785 6.552 -4.253 1.00 0.00 O ATOM 1443 CB ARG A 91 7.397 5.489 -6.753 1.00 0.00 C ATOM 1444 CG ARG A 91 7.493 5.365 -8.265 1.00 0.00 C ATOM 1445 CD ARG A 91 8.815 5.909 -8.785 1.00 0.00 C ATOM 1446 NE ARG A 91 8.684 7.269 -9.299 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.717 8.035 -9.643 1.00 0.00 C ATOM 1448 NH1 ARG A 91 10.958 7.578 -9.527 1.00 0.00 N ATOM 1449 NH2 ARG A 91 9.509 9.261 -10.104 1.00 0.00 N ATOM 0 H ARG A 91 4.283 5.386 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 91 5.798 4.103 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.662 6.506 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.131 4.826 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.390 4.319 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.668 5.906 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.553 5.894 -7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.189 5.258 -9.575 1.00 0.00 H new ATOM 0 HE ARG A 91 7.745 7.655 -9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.124 6.636 -9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.746 8.169 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.557 9.617 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.301 9.848 -10.368 1.00 0.00 H new ATOM 1463 N LEU A 92 6.161 4.358 -3.893 1.00 0.00 N ATOM 1464 CA LEU A 92 6.137 4.492 -2.435 1.00 0.00 C ATOM 1465 C LEU A 92 7.284 5.356 -1.931 1.00 0.00 C ATOM 1466 O LEU A 92 8.454 5.059 -2.169 1.00 0.00 O ATOM 1467 CB LEU A 92 6.149 3.129 -1.746 1.00 0.00 C ATOM 1468 CG LEU A 92 4.891 2.881 -0.918 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.345 1.476 -1.128 1.00 0.00 C ATOM 1470 CD2 LEU A 92 5.131 3.166 0.555 1.00 0.00 C ATOM 0 H LEU A 92 6.323 3.409 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 92 5.203 4.992 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.245 2.346 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.024 3.060 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 92 4.132 3.579 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.450 1.339 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.096 1.336 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.098 0.745 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.215 2.979 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.923 2.516 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.427 4.207 0.681 1.00 0.00 H new ATOM 1482 N ALA A 93 6.934 6.432 -1.233 1.00 0.00 N ATOM 1483 CA ALA A 93 7.930 7.350 -0.694 1.00 0.00 C ATOM 1484 C ALA A 93 8.071 7.203 0.818 1.00 0.00 C ATOM 1485 O ALA A 93 9.180 7.083 1.338 1.00 0.00 O ATOM 1486 CB ALA A 93 7.569 8.784 -1.054 1.00 0.00 C ATOM 0 H ALA A 93 5.968 6.689 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 93 8.892 7.099 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.319 9.461 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.536 8.889 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.593 9.030 -0.635 1.00 0.00 H new ATOM 1492 N ALA A 94 6.943 7.221 1.523 1.00 0.00 N ATOM 1493 CA ALA A 94 6.949 7.098 2.977 1.00 0.00 C ATOM 1494 C ALA A 94 5.672 6.427 3.481 1.00 0.00 C ATOM 1495 O ALA A 94 4.794 6.081 2.691 1.00 0.00 O ATOM 1496 CB ALA A 94 7.117 8.471 3.611 1.00 0.00 C ATOM 0 H ALA A 94 6.015 7.319 1.111 1.00 0.00 H new ATOM 0 HA ALA A 94 7.790 6.467 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.121 8.373 4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.059 8.910 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.292 9.115 3.308 1.00 0.00 H new ATOM 1502 N PRO A 95 5.551 6.226 4.807 1.00 0.00 N ATOM 1503 CA PRO A 95 4.376 5.592 5.404 1.00 0.00 C ATOM 1504 C PRO A 95 3.228 6.576 5.614 1.00 0.00 C ATOM 1505 O PRO A 95 3.436 7.788 5.649 1.00 0.00 O ATOM 1506 CB PRO A 95 4.905 5.097 6.747 1.00 0.00 C ATOM 1507 CG PRO A 95 5.965 6.077 7.120 1.00 0.00 C ATOM 1508 CD PRO A 95 6.553 6.594 5.829 1.00 0.00 C ATOM 0 HA PRO A 95 3.962 4.808 4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.114 5.064 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.309 4.088 6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.547 6.893 7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.732 5.603 7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.709 7.672 5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.521 6.139 5.621 1.00 0.00 H new ATOM 1516 N CYS A 96 2.017 6.045 5.755 1.00 0.00 N ATOM 1517 CA CYS A 96 0.839 6.877 5.963 1.00 0.00 C ATOM 1518 C CYS A 96 0.904 7.586 7.312 1.00 0.00 C ATOM 1519 O CYS A 96 1.873 7.437 8.056 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.433 6.029 5.879 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.613 4.826 7.217 1.00 0.00 S ATOM 0 H CYS A 96 1.827 5.043 5.729 1.00 0.00 H new ATOM 0 HA CYS A 96 0.816 7.632 5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.299 6.692 5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.441 5.500 4.926 1.00 0.00 H new ATOM 0 HG CYS A 96 0.241 3.860 7.050 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.133 8.358 7.621 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.194 9.091 8.880 1.00 0.00 C ATOM 1529 C ARG A 97 -1.641 9.300 9.319 1.00 0.00 C ATOM 1530 O ARG A 97 -2.536 9.450 8.487 1.00 0.00 O ATOM 1531 CB ARG A 97 0.508 10.444 8.744 1.00 0.00 C ATOM 1532 CG ARG A 97 1.994 10.334 8.444 1.00 0.00 C ATOM 1533 CD ARG A 97 2.754 9.706 9.601 1.00 0.00 C ATOM 1534 NE ARG A 97 3.510 10.698 10.362 1.00 0.00 N ATOM 1535 CZ ARG A 97 4.533 10.400 11.160 1.00 0.00 C ATOM 1536 NH1 ARG A 97 4.924 9.139 11.308 1.00 0.00 N ATOM 1537 NH2 ARG A 97 5.167 11.364 11.813 1.00 0.00 N ATOM 0 H ARG A 97 -0.943 8.492 7.016 1.00 0.00 H new ATOM 0 HA ARG A 97 0.317 8.499 9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.027 11.015 7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.373 11.008 9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.141 9.736 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.398 11.325 8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.052 9.199 10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.436 8.947 9.217 1.00 0.00 H new ATOM 0 HE ARG A 97 3.238 11.677 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.440 8.393 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.709 8.917 11.921 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.871 12.334 11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.951 11.136 12.424 1.00 0.00 H new