USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 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 81 HIS : no HE2:sc= -7.38! C(o=-20!,f=-26!) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -12.7! C(o=-20!,f=-23!) USER MOD Set 2.1: A 66 ASN : amide:sc= -1.95 K(o=-4,f=-5.6!) USER MOD Set 2.2: A 87 SER OG : rot -66:sc= -2.01 USER MOD Single : A 8 CYS SG : rot 27:sc= 0.538 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= -2.85 X(o=-2.9,f=-2.8!) USER MOD Single : A 23 ASN : amide:sc= -7.8! C(o=-7.8!,f=-12!) USER MOD Single : A 25 THR OG1 : rot -7:sc= 0.704 USER MOD Single : A 33 SER OG : rot 53:sc= 0.356 USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0488) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 136:sc= -7.55! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0749 K(o=-0.075,f=-1.9!) USER MOD Single : A 52 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-11!) USER MOD Single : A 53 TYR OH : rot -83:sc= -5.25! USER MOD Single : A 54 LYS NZ :NH3+ -171:sc=-0.00433 (180deg=-0.135) USER MOD Single : A 64 HIS : no HD1:sc= -8.7! C(o=-8.7!,f=-8.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00275 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 96 CYS SG : rot 180:sc= -5.44! USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 5.947 1.242 4.676 1.00 0.00 N ATOM 30 CA PRO A 3 4.499 1.388 4.500 1.00 0.00 C ATOM 31 C PRO A 3 3.758 1.378 5.830 1.00 0.00 C ATOM 32 O PRO A 3 2.790 2.112 6.026 1.00 0.00 O ATOM 33 CB PRO A 3 4.092 0.130 3.713 1.00 0.00 C ATOM 34 CG PRO A 3 5.359 -0.596 3.389 1.00 0.00 C ATOM 35 CD PRO A 3 6.386 -0.126 4.380 1.00 0.00 C ATOM 0 HA PRO A 3 4.258 2.330 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.425 -0.498 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.555 0.398 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.217 -1.674 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.678 -0.383 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.400 -0.749 5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.392 -0.147 3.961 1.00 0.00 H new ATOM 43 N TRP A 4 4.203 0.499 6.724 1.00 0.00 N ATOM 44 CA TRP A 4 3.576 0.326 8.028 1.00 0.00 C ATOM 45 C TRP A 4 2.366 -0.590 7.876 1.00 0.00 C ATOM 46 O TRP A 4 1.272 -0.145 7.521 1.00 0.00 O ATOM 47 CB TRP A 4 3.164 1.671 8.645 1.00 0.00 C ATOM 48 CG TRP A 4 3.753 1.906 10.003 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.276 1.445 11.196 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.930 2.662 10.306 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.086 1.869 12.223 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.108 2.618 11.701 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.852 3.373 9.532 1.00 0.00 C ATOM 54 CZ2 TRP A 4 6.170 3.255 12.338 1.00 0.00 C ATOM 55 CZ3 TRP A 4 6.906 4.006 10.166 1.00 0.00 C ATOM 56 CH2 TRP A 4 7.057 3.943 11.556 1.00 0.00 C ATOM 0 H TRP A 4 5.005 -0.110 6.564 1.00 0.00 H new ATOM 0 HA TRP A 4 4.299 -0.125 8.707 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.471 2.477 7.979 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.077 1.712 8.716 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.392 0.836 11.316 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.949 1.660 13.212 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.743 3.427 8.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.289 3.208 13.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.625 4.558 9.578 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.891 4.448 12.021 1.00 0.00 H new ATOM 67 N PHE A 5 2.578 -1.879 8.118 1.00 0.00 N ATOM 68 CA PHE A 5 1.515 -2.866 7.987 1.00 0.00 C ATOM 69 C PHE A 5 0.417 -2.624 9.015 1.00 0.00 C ATOM 70 O PHE A 5 0.673 -2.618 10.219 1.00 0.00 O ATOM 71 CB PHE A 5 2.080 -4.279 8.149 1.00 0.00 C ATOM 72 CG PHE A 5 2.815 -4.488 9.442 1.00 0.00 C ATOM 73 CD1 PHE A 5 2.139 -4.900 10.579 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.182 -4.275 9.520 1.00 0.00 C ATOM 75 CE1 PHE A 5 2.812 -5.095 11.770 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.861 -4.468 10.708 1.00 0.00 C ATOM 77 CZ PHE A 5 4.175 -4.878 11.835 1.00 0.00 C ATOM 0 H PHE A 5 3.478 -2.264 8.406 1.00 0.00 H new ATOM 0 HA PHE A 5 1.082 -2.767 6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.263 -4.998 8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.755 -4.489 7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.074 -5.071 10.534 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.723 -3.954 8.642 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.273 -5.417 12.649 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.927 -4.299 10.755 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.703 -5.029 12.765 1.00 0.00 H new ATOM 87 N PHE A 6 -0.806 -2.428 8.534 1.00 0.00 N ATOM 88 CA PHE A 6 -1.935 -2.191 9.422 1.00 0.00 C ATOM 89 C PHE A 6 -2.706 -3.482 9.671 1.00 0.00 C ATOM 90 O PHE A 6 -2.748 -4.367 8.817 1.00 0.00 O ATOM 91 CB PHE A 6 -2.858 -1.123 8.837 1.00 0.00 C ATOM 92 CG PHE A 6 -2.342 0.275 9.022 1.00 0.00 C ATOM 93 CD1 PHE A 6 -1.970 0.729 10.278 1.00 0.00 C ATOM 94 CD2 PHE A 6 -2.227 1.134 7.942 1.00 0.00 C ATOM 95 CE1 PHE A 6 -1.493 2.014 10.452 1.00 0.00 C ATOM 96 CE2 PHE A 6 -1.752 2.421 8.109 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.384 2.861 9.366 1.00 0.00 C ATOM 0 H PHE A 6 -1.039 -2.429 7.541 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.550 -1.833 10.377 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.995 -1.314 7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.839 -1.205 9.304 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.054 0.071 11.130 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.512 0.794 6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.206 2.356 11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.669 3.082 7.259 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.012 3.866 9.499 1.00 0.00 H new ATOM 107 N GLY A 7 -3.305 -3.589 10.852 1.00 0.00 N ATOM 108 CA GLY A 7 -4.052 -4.783 11.199 1.00 0.00 C ATOM 109 C GLY A 7 -5.545 -4.636 10.979 1.00 0.00 C ATOM 110 O GLY A 7 -6.233 -5.619 10.701 1.00 0.00 O ATOM 0 H GLY A 7 -3.286 -2.870 11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.684 -5.620 10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.867 -5.029 12.245 1.00 0.00 H new ATOM 114 N CYS A 8 -6.054 -3.415 11.109 1.00 0.00 N ATOM 115 CA CYS A 8 -7.480 -3.172 10.927 1.00 0.00 C ATOM 116 C CYS A 8 -7.755 -1.737 10.489 1.00 0.00 C ATOM 117 O CYS A 8 -8.151 -0.897 11.297 1.00 0.00 O ATOM 118 CB CYS A 8 -8.237 -3.473 12.221 1.00 0.00 C ATOM 119 SG CYS A 8 -8.667 -5.215 12.438 1.00 0.00 S ATOM 0 H CYS A 8 -5.506 -2.586 11.338 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.829 -3.838 10.138 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.630 -3.152 13.067 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.151 -2.879 12.241 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.813 -5.956 11.796 1.00 0.00 H new ATOM 125 N ILE A 9 -7.558 -1.465 9.203 1.00 0.00 N ATOM 126 CA ILE A 9 -7.803 -0.135 8.659 1.00 0.00 C ATOM 127 C ILE A 9 -8.762 -0.204 7.474 1.00 0.00 C ATOM 128 O ILE A 9 -8.342 -0.213 6.318 1.00 0.00 O ATOM 129 CB ILE A 9 -6.497 0.551 8.217 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.785 -0.284 7.150 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.586 0.784 9.413 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.506 0.484 5.880 1.00 0.00 C ATOM 0 H ILE A 9 -7.230 -2.147 8.519 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.251 0.457 9.457 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.746 1.519 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.844 -0.655 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.395 -1.155 6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.668 1.270 9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.093 1.421 10.138 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.344 -0.172 9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.000 -0.166 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.446 0.832 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.870 1.340 6.105 1.00 0.00 H new ATOM 144 N SER A 10 -10.058 -0.261 7.775 1.00 0.00 N ATOM 145 CA SER A 10 -11.088 -0.338 6.743 1.00 0.00 C ATOM 146 C SER A 10 -10.823 0.653 5.612 1.00 0.00 C ATOM 147 O SER A 10 -10.029 1.581 5.759 1.00 0.00 O ATOM 148 CB SER A 10 -12.465 -0.074 7.353 1.00 0.00 C ATOM 149 OG SER A 10 -12.871 -1.149 8.183 1.00 0.00 O ATOM 0 H SER A 10 -10.420 -0.255 8.729 1.00 0.00 H new ATOM 0 HA SER A 10 -11.063 -1.344 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.438 0.848 7.934 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.196 0.072 6.558 1.00 0.00 H new ATOM 0 HG SER A 10 -13.754 -0.954 8.562 1.00 0.00 H new ATOM 155 N ARG A 11 -11.497 0.445 4.485 1.00 0.00 N ATOM 156 CA ARG A 11 -11.339 1.314 3.322 1.00 0.00 C ATOM 157 C ARG A 11 -11.585 2.772 3.688 1.00 0.00 C ATOM 158 O ARG A 11 -11.058 3.685 3.051 1.00 0.00 O ATOM 159 CB ARG A 11 -12.298 0.880 2.211 1.00 0.00 C ATOM 160 CG ARG A 11 -11.597 0.437 0.937 1.00 0.00 C ATOM 161 CD ARG A 11 -12.577 -0.146 -0.071 1.00 0.00 C ATOM 162 NE ARG A 11 -13.233 -1.354 0.426 1.00 0.00 N ATOM 163 CZ ARG A 11 -14.349 -1.354 1.150 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.939 -0.210 1.480 1.00 0.00 N ATOM 165 NH2 ARG A 11 -14.880 -2.503 1.547 1.00 0.00 N ATOM 0 H ARG A 11 -12.159 -0.319 4.352 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.313 1.224 2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.918 0.062 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.968 1.708 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.080 1.287 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.838 -0.307 1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.333 0.601 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.049 -0.377 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.808 -2.254 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.536 0.677 1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.794 -0.219 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.433 -3.385 1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.736 -2.505 2.102 1.00 0.00 H new ATOM 179 N SER A 12 -12.388 2.974 4.716 1.00 0.00 N ATOM 180 CA SER A 12 -12.721 4.314 5.182 1.00 0.00 C ATOM 181 C SER A 12 -11.548 4.946 5.924 1.00 0.00 C ATOM 182 O SER A 12 -11.394 6.168 5.931 1.00 0.00 O ATOM 183 CB SER A 12 -13.949 4.270 6.093 1.00 0.00 C ATOM 184 OG SER A 12 -15.140 4.137 5.337 1.00 0.00 O ATOM 0 H SER A 12 -12.826 2.223 5.250 1.00 0.00 H new ATOM 0 HA SER A 12 -12.944 4.926 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.860 3.435 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.994 5.180 6.692 1.00 0.00 H new ATOM 0 HG SER A 12 -15.910 4.110 5.942 1.00 0.00 H new ATOM 190 N GLU A 13 -10.724 4.112 6.551 1.00 0.00 N ATOM 191 CA GLU A 13 -9.573 4.610 7.294 1.00 0.00 C ATOM 192 C GLU A 13 -8.416 4.951 6.371 1.00 0.00 C ATOM 193 O GLU A 13 -7.921 6.063 6.392 1.00 0.00 O ATOM 194 CB GLU A 13 -9.097 3.593 8.328 1.00 0.00 C ATOM 195 CG GLU A 13 -10.225 2.879 9.054 1.00 0.00 C ATOM 196 CD GLU A 13 -10.092 2.959 10.563 1.00 0.00 C ATOM 197 OE1 GLU A 13 -9.688 4.028 11.067 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.389 1.953 11.240 1.00 0.00 O ATOM 0 H GLU A 13 -10.831 3.098 6.560 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.902 5.516 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.470 2.852 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.470 4.101 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.178 3.314 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.243 1.832 8.750 1.00 0.00 H new ATOM 205 N ALA A 14 -7.976 3.987 5.573 1.00 0.00 N ATOM 206 CA ALA A 14 -6.857 4.207 4.670 1.00 0.00 C ATOM 207 C ALA A 14 -7.071 5.437 3.807 1.00 0.00 C ATOM 208 O ALA A 14 -6.129 6.164 3.513 1.00 0.00 O ATOM 209 CB ALA A 14 -6.627 2.980 3.799 1.00 0.00 C ATOM 0 H ALA A 14 -8.376 3.049 5.533 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.969 4.379 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.786 3.162 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.407 2.120 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.522 2.778 3.211 1.00 0.00 H new ATOM 215 N VAL A 15 -8.312 5.672 3.407 1.00 0.00 N ATOM 216 CA VAL A 15 -8.618 6.832 2.575 1.00 0.00 C ATOM 217 C VAL A 15 -8.398 8.129 3.343 1.00 0.00 C ATOM 218 O VAL A 15 -7.699 9.029 2.875 1.00 0.00 O ATOM 219 CB VAL A 15 -10.059 6.810 2.031 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.196 5.797 0.907 1.00 0.00 C ATOM 221 CG2 VAL A 15 -11.060 6.538 3.142 1.00 0.00 C ATOM 0 H VAL A 15 -9.114 5.086 3.639 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.934 6.782 1.727 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.280 7.796 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.222 5.799 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.518 6.061 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.946 4.804 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.069 6.528 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.845 5.571 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.985 7.319 3.898 1.00 0.00 H new ATOM 231 N ARG A 16 -8.991 8.222 4.526 1.00 0.00 N ATOM 232 CA ARG A 16 -8.847 9.415 5.357 1.00 0.00 C ATOM 233 C ARG A 16 -7.476 9.447 6.022 1.00 0.00 C ATOM 234 O ARG A 16 -6.932 10.513 6.317 1.00 0.00 O ATOM 235 CB ARG A 16 -9.949 9.469 6.417 1.00 0.00 C ATOM 236 CG ARG A 16 -11.300 9.906 5.869 1.00 0.00 C ATOM 237 CD ARG A 16 -11.910 11.021 6.704 1.00 0.00 C ATOM 238 NE ARG A 16 -13.042 11.654 6.031 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.523 12.852 6.355 1.00 0.00 C ATOM 240 NH1 ARG A 16 -12.972 13.552 7.339 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.556 13.353 5.693 1.00 0.00 N ATOM 0 H ARG A 16 -9.574 7.490 4.932 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.940 10.289 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.052 8.484 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.648 10.156 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.183 10.244 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.978 9.053 5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.237 10.618 7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.149 11.772 6.917 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.490 11.148 5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.176 13.172 7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.345 14.470 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.983 12.820 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.924 14.271 5.942 1.00 0.00 H new ATOM 255 N ARG A 17 -6.926 8.266 6.241 1.00 0.00 N ATOM 256 CA ARG A 17 -5.617 8.121 6.858 1.00 0.00 C ATOM 257 C ARG A 17 -4.527 8.527 5.872 1.00 0.00 C ATOM 258 O ARG A 17 -3.592 9.244 6.227 1.00 0.00 O ATOM 259 CB ARG A 17 -5.404 6.681 7.351 1.00 0.00 C ATOM 260 CG ARG A 17 -4.439 6.579 8.520 1.00 0.00 C ATOM 261 CD ARG A 17 -4.418 5.176 9.105 1.00 0.00 C ATOM 262 NE ARG A 17 -5.405 5.013 10.170 1.00 0.00 N ATOM 263 CZ ARG A 17 -5.373 4.029 11.067 1.00 0.00 C ATOM 264 NH1 ARG A 17 -4.409 3.118 11.028 1.00 0.00 N ATOM 265 NH2 ARG A 17 -6.309 3.956 12.003 1.00 0.00 N ATOM 0 H ARG A 17 -7.372 7.382 5.997 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.563 8.780 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.365 6.260 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.029 6.074 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.437 6.852 8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.726 7.292 9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.614 4.451 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.424 4.961 9.496 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.163 5.693 10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.688 3.169 10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.389 2.367 11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.053 4.653 12.036 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.285 3.203 12.690 1.00 0.00 H new ATOM 279 N LEU A 18 -4.670 8.087 4.624 1.00 0.00 N ATOM 280 CA LEU A 18 -3.712 8.430 3.584 1.00 0.00 C ATOM 281 C LEU A 18 -3.814 9.898 3.226 1.00 0.00 C ATOM 282 O LEU A 18 -2.818 10.587 3.046 1.00 0.00 O ATOM 283 CB LEU A 18 -3.925 7.576 2.348 1.00 0.00 C ATOM 284 CG LEU A 18 -2.953 6.417 2.237 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.580 6.946 1.886 1.00 0.00 C ATOM 286 CD2 LEU A 18 -2.896 5.632 3.539 1.00 0.00 C ATOM 0 H LEU A 18 -5.439 7.494 4.312 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.713 8.233 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.943 7.186 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.832 8.204 1.462 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.296 5.743 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.879 6.115 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.626 7.475 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.244 7.630 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.192 4.806 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.569 6.288 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.886 5.239 3.770 1.00 0.00 H new ATOM 298 N GLN A 19 -5.029 10.366 3.116 1.00 0.00 N ATOM 299 CA GLN A 19 -5.267 11.758 2.769 1.00 0.00 C ATOM 300 C GLN A 19 -5.492 12.635 4.003 1.00 0.00 C ATOM 301 O GLN A 19 -5.946 13.773 3.886 1.00 0.00 O ATOM 302 CB GLN A 19 -6.431 11.872 1.793 1.00 0.00 C ATOM 303 CG GLN A 19 -5.967 11.976 0.349 1.00 0.00 C ATOM 304 CD GLN A 19 -6.746 13.013 -0.436 1.00 0.00 C ATOM 305 OE1 GLN A 19 -7.933 12.836 -0.714 1.00 0.00 O ATOM 306 NE2 GLN A 19 -6.081 14.105 -0.793 1.00 0.00 N ATOM 0 H GLN A 19 -5.873 9.812 3.260 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.366 12.131 2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.080 11.003 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.028 12.749 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.907 12.230 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.072 11.005 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.098 14.209 -0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.553 14.840 -1.320 1.00 0.00 H new ATOM 315 N ALA A 20 -5.144 12.117 5.181 1.00 0.00 N ATOM 316 CA ALA A 20 -5.283 12.881 6.420 1.00 0.00 C ATOM 317 C ALA A 20 -4.455 14.156 6.340 1.00 0.00 C ATOM 318 O ALA A 20 -4.013 14.547 5.262 1.00 0.00 O ATOM 319 CB ALA A 20 -4.853 12.040 7.613 1.00 0.00 C ATOM 0 H ALA A 20 -4.766 11.177 5.303 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.331 13.151 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.962 12.623 8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.478 11.149 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.811 11.745 7.493 1.00 0.00 H new ATOM 325 N GLU A 21 -4.238 14.806 7.474 1.00 0.00 N ATOM 326 CA GLU A 21 -3.445 16.035 7.485 1.00 0.00 C ATOM 327 C GLU A 21 -1.983 15.754 7.773 1.00 0.00 C ATOM 328 O GLU A 21 -1.127 16.637 7.703 1.00 0.00 O ATOM 329 CB GLU A 21 -4.012 17.051 8.477 1.00 0.00 C ATOM 330 CG GLU A 21 -3.875 16.624 9.931 1.00 0.00 C ATOM 331 CD GLU A 21 -4.161 17.755 10.899 1.00 0.00 C ATOM 332 OE1 GLU A 21 -5.218 18.405 10.758 1.00 0.00 O ATOM 333 OE2 GLU A 21 -3.328 17.990 11.800 1.00 0.00 O ATOM 0 H GLU A 21 -4.591 14.513 8.385 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.506 16.469 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.504 18.005 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.066 17.216 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.559 15.799 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.866 16.250 10.103 1.00 0.00 H new ATOM 340 N GLY A 22 -1.724 14.510 8.059 1.00 0.00 N ATOM 341 CA GLY A 22 -0.374 14.046 8.328 1.00 0.00 C ATOM 342 C GLY A 22 0.270 13.413 7.106 1.00 0.00 C ATOM 343 O GLY A 22 1.279 12.717 7.221 1.00 0.00 O ATOM 0 H GLY A 22 -2.436 13.781 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.236 14.884 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.396 13.321 9.141 1.00 0.00 H new ATOM 347 N ASN A 23 -0.340 13.615 5.940 1.00 0.00 N ATOM 348 CA ASN A 23 0.158 13.013 4.703 1.00 0.00 C ATOM 349 C ASN A 23 1.228 13.837 4.005 1.00 0.00 C ATOM 350 O ASN A 23 1.456 15.003 4.328 1.00 0.00 O ATOM 351 CB ASN A 23 -0.991 12.752 3.733 1.00 0.00 C ATOM 352 CG ASN A 23 -1.983 13.901 3.612 1.00 0.00 C ATOM 353 OD1 ASN A 23 -3.123 13.695 3.196 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.563 15.118 3.953 1.00 0.00 N ATOM 0 H ASN A 23 -1.176 14.188 5.825 1.00 0.00 H new ATOM 0 HA ASN A 23 0.625 12.075 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.577 12.539 2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.526 11.858 4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.193 15.916 3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.611 15.252 4.294 1.00 0.00 H new ATOM 361 N ALA A 24 1.867 13.202 3.022 1.00 0.00 N ATOM 362 CA ALA A 24 2.902 13.842 2.236 1.00 0.00 C ATOM 363 C ALA A 24 3.167 13.080 0.944 1.00 0.00 C ATOM 364 O ALA A 24 4.311 12.953 0.503 1.00 0.00 O ATOM 365 CB ALA A 24 4.180 14.001 3.046 1.00 0.00 C ATOM 0 H ALA A 24 1.678 12.236 2.756 1.00 0.00 H new ATOM 0 HA ALA A 24 2.546 14.837 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.941 14.484 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.980 14.613 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.536 13.020 3.360 1.00 0.00 H new ATOM 371 N THR A 25 2.092 12.598 0.337 1.00 0.00 N ATOM 372 CA THR A 25 2.162 11.861 -0.919 1.00 0.00 C ATOM 373 C THR A 25 3.096 10.658 -0.824 1.00 0.00 C ATOM 374 O THR A 25 3.977 10.608 0.034 1.00 0.00 O ATOM 375 CB THR A 25 2.600 12.789 -2.052 1.00 0.00 C ATOM 376 OG1 THR A 25 3.977 13.104 -1.944 1.00 0.00 O ATOM 377 CG2 THR A 25 1.831 14.096 -2.077 1.00 0.00 C ATOM 0 H THR A 25 1.145 12.706 0.701 1.00 0.00 H new ATOM 0 HA THR A 25 1.163 11.480 -1.133 1.00 0.00 H new ATOM 0 HB THR A 25 2.395 12.241 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.328 12.751 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.187 14.712 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.769 13.891 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.984 14.626 -1.137 1.00 0.00 H new ATOM 385 N GLY A 26 2.872 9.667 -1.690 1.00 0.00 N ATOM 386 CA GLY A 26 3.678 8.453 -1.666 1.00 0.00 C ATOM 387 C GLY A 26 3.379 7.621 -0.450 1.00 0.00 C ATOM 388 O GLY A 26 3.493 6.398 -0.488 1.00 0.00 O ATOM 0 H GLY A 26 2.147 9.684 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.485 7.868 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.736 8.716 -1.678 1.00 0.00 H new ATOM 392 N ALA A 27 2.972 8.290 0.626 1.00 0.00 N ATOM 393 CA ALA A 27 2.618 7.631 1.864 1.00 0.00 C ATOM 394 C ALA A 27 1.879 6.337 1.571 1.00 0.00 C ATOM 395 O ALA A 27 0.882 6.340 0.862 1.00 0.00 O ATOM 396 CB ALA A 27 1.757 8.562 2.681 1.00 0.00 C ATOM 0 H ALA A 27 2.881 9.305 0.656 1.00 0.00 H new ATOM 0 HA ALA A 27 3.519 7.386 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.483 8.076 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.311 9.476 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.854 8.807 2.122 1.00 0.00 H new ATOM 402 N PHE A 28 2.395 5.232 2.075 1.00 0.00 N ATOM 403 CA PHE A 28 1.798 3.942 1.817 1.00 0.00 C ATOM 404 C PHE A 28 1.617 3.153 3.104 1.00 0.00 C ATOM 405 O PHE A 28 2.236 3.447 4.126 1.00 0.00 O ATOM 406 CB PHE A 28 2.687 3.191 0.831 1.00 0.00 C ATOM 407 CG PHE A 28 4.151 3.205 1.193 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.873 4.385 1.197 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.802 2.033 1.520 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.213 4.390 1.524 1.00 0.00 C ATOM 411 CE2 PHE A 28 6.144 2.034 1.846 1.00 0.00 C ATOM 412 CZ PHE A 28 6.849 3.215 1.848 1.00 0.00 C ATOM 0 H PHE A 28 3.226 5.205 2.665 1.00 0.00 H new ATOM 0 HA PHE A 28 0.805 4.076 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.349 2.157 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.564 3.628 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.382 5.312 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.254 1.102 1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.764 5.319 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.639 1.108 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.898 3.219 2.103 1.00 0.00 H new ATOM 422 N LEU A 29 0.747 2.163 3.035 1.00 0.00 N ATOM 423 CA LEU A 29 0.428 1.307 4.173 1.00 0.00 C ATOM 424 C LEU A 29 -0.094 -0.043 3.704 1.00 0.00 C ATOM 425 O LEU A 29 -0.876 -0.117 2.759 1.00 0.00 O ATOM 426 CB LEU A 29 -0.628 1.962 5.064 1.00 0.00 C ATOM 427 CG LEU A 29 -1.833 2.641 4.362 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.929 2.340 2.868 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.123 2.221 5.036 1.00 0.00 C ATOM 0 H LEU A 29 0.236 1.925 2.185 1.00 0.00 H new ATOM 0 HA LEU A 29 1.346 1.163 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.017 1.201 5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.131 2.711 5.680 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.671 3.715 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.796 2.850 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.026 2.689 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.033 1.265 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.966 2.701 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.232 1.138 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.101 2.521 6.084 1.00 0.00 H new ATOM 441 N ILE A 30 0.299 -1.114 4.367 1.00 0.00 N ATOM 442 CA ILE A 30 -0.185 -2.425 3.961 1.00 0.00 C ATOM 443 C ILE A 30 -1.154 -3.002 4.978 1.00 0.00 C ATOM 444 O ILE A 30 -0.793 -3.280 6.120 1.00 0.00 O ATOM 445 CB ILE A 30 0.945 -3.438 3.705 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.262 -2.737 3.328 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.507 -4.421 2.626 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.351 -2.293 1.883 1.00 0.00 C ATOM 0 H ILE A 30 0.933 -1.109 5.166 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.703 -2.259 3.016 1.00 0.00 H new ATOM 0 HB ILE A 30 1.139 -3.987 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.391 -1.866 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.091 -3.413 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.306 -5.140 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.388 -4.949 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.289 -3.878 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.312 -1.810 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.258 -3.160 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.547 -1.589 1.669 1.00 0.00 H new ATOM 460 N ARG A 31 -2.387 -3.187 4.541 1.00 0.00 N ATOM 461 CA ARG A 31 -3.432 -3.737 5.385 1.00 0.00 C ATOM 462 C ARG A 31 -3.823 -5.116 4.882 1.00 0.00 C ATOM 463 O ARG A 31 -3.339 -5.561 3.842 1.00 0.00 O ATOM 464 CB ARG A 31 -4.651 -2.826 5.352 1.00 0.00 C ATOM 465 CG ARG A 31 -5.046 -2.449 3.942 1.00 0.00 C ATOM 466 CD ARG A 31 -6.486 -1.978 3.864 1.00 0.00 C ATOM 467 NE ARG A 31 -6.763 -1.275 2.613 1.00 0.00 N ATOM 468 CZ ARG A 31 -7.972 -1.183 2.064 1.00 0.00 C ATOM 469 NH1 ARG A 31 -9.024 -1.735 2.657 1.00 0.00 N ATOM 470 NH2 ARG A 31 -8.127 -0.538 0.916 1.00 0.00 N ATOM 0 H ARG A 31 -2.691 -2.961 3.594 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.062 -3.813 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.488 -3.325 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.442 -1.921 5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.386 -1.661 3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.909 -3.308 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.154 -2.835 3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.698 -1.319 4.706 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.983 -0.828 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.909 -2.234 3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.947 -1.660 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.321 -0.114 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.052 -0.466 0.493 1.00 0.00 H new ATOM 484 N VAL A 32 -4.707 -5.786 5.601 1.00 0.00 N ATOM 485 CA VAL A 32 -5.146 -7.108 5.188 1.00 0.00 C ATOM 486 C VAL A 32 -6.283 -7.022 4.180 1.00 0.00 C ATOM 487 O VAL A 32 -7.155 -6.159 4.277 1.00 0.00 O ATOM 488 CB VAL A 32 -5.591 -7.964 6.390 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.426 -8.203 7.335 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.751 -7.301 7.118 1.00 0.00 C ATOM 0 H VAL A 32 -5.131 -5.442 6.463 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.288 -7.589 4.718 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.931 -8.931 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.759 -8.809 8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.629 -8.725 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.053 -7.247 7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.051 -7.920 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.441 -6.320 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.592 -7.188 6.434 1.00 0.00 H new ATOM 500 N SER A 33 -6.252 -7.923 3.206 1.00 0.00 N ATOM 501 CA SER A 33 -7.260 -7.968 2.153 1.00 0.00 C ATOM 502 C SER A 33 -8.675 -7.838 2.708 1.00 0.00 C ATOM 503 O SER A 33 -9.296 -8.833 3.085 1.00 0.00 O ATOM 504 CB SER A 33 -7.139 -9.276 1.373 1.00 0.00 C ATOM 505 OG SER A 33 -7.059 -10.388 2.247 1.00 0.00 O ATOM 0 H SER A 33 -5.531 -8.640 3.123 1.00 0.00 H new ATOM 0 HA SER A 33 -7.080 -7.119 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.999 -9.390 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.253 -9.244 0.739 1.00 0.00 H new ATOM 0 HG SER A 33 -7.809 -10.364 2.877 1.00 0.00 H new ATOM 511 N GLU A 34 -9.189 -6.614 2.736 1.00 0.00 N ATOM 512 CA GLU A 34 -10.540 -6.375 3.223 1.00 0.00 C ATOM 513 C GLU A 34 -11.551 -7.032 2.294 1.00 0.00 C ATOM 514 O GLU A 34 -12.665 -7.367 2.696 1.00 0.00 O ATOM 515 CB GLU A 34 -10.816 -4.873 3.335 1.00 0.00 C ATOM 516 CG GLU A 34 -10.752 -4.350 4.759 1.00 0.00 C ATOM 517 CD GLU A 34 -11.637 -5.133 5.710 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.865 -4.904 5.705 1.00 0.00 O ATOM 519 OE2 GLU A 34 -11.101 -5.979 6.459 1.00 0.00 O ATOM 0 H GLU A 34 -8.693 -5.777 2.429 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.635 -6.814 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.093 -4.332 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.802 -4.661 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.721 -4.391 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.051 -3.302 4.771 1.00 0.00 H new ATOM 526 N LYS A 35 -11.139 -7.218 1.049 1.00 0.00 N ATOM 527 CA LYS A 35 -11.983 -7.843 0.037 1.00 0.00 C ATOM 528 C LYS A 35 -11.400 -9.191 -0.413 1.00 0.00 C ATOM 529 O LYS A 35 -12.072 -10.219 -0.320 1.00 0.00 O ATOM 530 CB LYS A 35 -12.183 -6.915 -1.174 1.00 0.00 C ATOM 531 CG LYS A 35 -11.402 -5.605 -1.110 1.00 0.00 C ATOM 532 CD LYS A 35 -11.954 -4.661 -0.058 1.00 0.00 C ATOM 533 CE LYS A 35 -10.884 -3.696 0.423 1.00 0.00 C ATOM 534 NZ LYS A 35 -10.361 -2.853 -0.688 1.00 0.00 N ATOM 0 H LYS A 35 -10.217 -6.943 0.711 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.957 -8.024 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.893 -7.451 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.244 -6.685 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.355 -5.818 -0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.432 -5.118 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.794 -4.102 -0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.337 -5.235 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.296 -3.055 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.064 -4.257 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.154 -1.898 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.490 -3.278 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.073 -2.793 -1.444 1.00 0.00 H new ATOM 548 N PRO A 36 -10.142 -9.211 -0.910 1.00 0.00 N ATOM 549 CA PRO A 36 -9.492 -10.446 -1.370 1.00 0.00 C ATOM 550 C PRO A 36 -9.473 -11.535 -0.299 1.00 0.00 C ATOM 551 O PRO A 36 -10.223 -11.478 0.675 1.00 0.00 O ATOM 552 CB PRO A 36 -8.061 -10.003 -1.697 1.00 0.00 C ATOM 553 CG PRO A 36 -8.158 -8.543 -1.949 1.00 0.00 C ATOM 554 CD PRO A 36 -9.262 -8.040 -1.069 1.00 0.00 C ATOM 0 HA PRO A 36 -10.023 -10.885 -2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.383 -10.217 -0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.675 -10.529 -2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.217 -8.044 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.374 -8.342 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.882 -7.692 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.789 -7.202 -1.526 1.00 0.00 H new ATOM 562 N SER A 37 -8.609 -12.529 -0.492 1.00 0.00 N ATOM 563 CA SER A 37 -8.490 -13.634 0.453 1.00 0.00 C ATOM 564 C SER A 37 -7.028 -14.005 0.682 1.00 0.00 C ATOM 565 O SER A 37 -6.291 -14.278 -0.265 1.00 0.00 O ATOM 566 CB SER A 37 -9.260 -14.852 -0.059 1.00 0.00 C ATOM 567 OG SER A 37 -10.591 -14.861 0.429 1.00 0.00 O ATOM 0 H SER A 37 -7.982 -12.591 -1.294 1.00 0.00 H new ATOM 0 HA SER A 37 -8.916 -13.312 1.403 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.270 -14.847 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.750 -15.764 0.251 1.00 0.00 H new ATOM 0 HG SER A 37 -11.060 -15.649 0.085 1.00 0.00 H new ATOM 573 N ALA A 38 -6.615 -14.019 1.948 1.00 0.00 N ATOM 574 CA ALA A 38 -5.241 -14.361 2.305 1.00 0.00 C ATOM 575 C ALA A 38 -4.240 -13.475 1.569 1.00 0.00 C ATOM 576 O ALA A 38 -3.204 -13.948 1.099 1.00 0.00 O ATOM 577 CB ALA A 38 -4.969 -15.828 2.006 1.00 0.00 C ATOM 0 H ALA A 38 -7.213 -13.797 2.744 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.118 -14.188 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.941 -16.070 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.653 -16.450 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.118 -16.016 0.943 1.00 0.00 H new ATOM 583 N ASP A 39 -4.557 -12.190 1.473 1.00 0.00 N ATOM 584 CA ASP A 39 -3.689 -11.236 0.793 1.00 0.00 C ATOM 585 C ASP A 39 -3.581 -9.939 1.593 1.00 0.00 C ATOM 586 O ASP A 39 -4.007 -9.877 2.746 1.00 0.00 O ATOM 587 CB ASP A 39 -4.229 -10.944 -0.609 1.00 0.00 C ATOM 588 CG ASP A 39 -4.610 -12.208 -1.357 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.932 -13.239 -1.165 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.587 -12.166 -2.135 1.00 0.00 O ATOM 0 H ASP A 39 -5.410 -11.784 1.858 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.694 -11.673 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.101 -10.294 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.476 -10.400 -1.180 1.00 0.00 H new ATOM 595 N TYR A 40 -3.028 -8.900 0.971 1.00 0.00 N ATOM 596 CA TYR A 40 -2.890 -7.607 1.626 1.00 0.00 C ATOM 597 C TYR A 40 -3.190 -6.513 0.643 1.00 0.00 C ATOM 598 O TYR A 40 -2.819 -6.594 -0.521 1.00 0.00 O ATOM 599 CB TYR A 40 -1.480 -7.409 2.219 1.00 0.00 C ATOM 600 CG TYR A 40 -1.422 -7.622 3.718 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.715 -8.861 4.268 1.00 0.00 C ATOM 602 CD2 TYR A 40 -1.071 -6.588 4.580 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.659 -9.069 5.633 1.00 0.00 C ATOM 604 CE2 TYR A 40 -1.015 -6.788 5.946 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.310 -8.030 6.468 1.00 0.00 C ATOM 606 OH TYR A 40 -1.254 -8.232 7.828 1.00 0.00 O ATOM 0 H TYR A 40 -2.670 -8.931 0.016 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.600 -7.572 2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.790 -8.100 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.136 -6.401 1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.992 -9.678 3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.839 -5.614 4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.888 -10.041 6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.741 -5.975 6.602 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.991 -7.399 8.272 1.00 0.00 H new ATOM 616 N VAL A 41 -3.861 -5.488 1.117 1.00 0.00 N ATOM 617 CA VAL A 41 -4.202 -4.371 0.264 1.00 0.00 C ATOM 618 C VAL A 41 -3.417 -3.145 0.682 1.00 0.00 C ATOM 619 O VAL A 41 -3.361 -2.794 1.859 1.00 0.00 O ATOM 620 CB VAL A 41 -5.715 -4.084 0.247 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.379 -4.939 -0.822 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.347 -4.358 1.608 1.00 0.00 C ATOM 0 H VAL A 41 -4.180 -5.404 2.082 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.929 -4.638 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.865 -3.029 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.450 -4.737 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.952 -4.700 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.211 -5.993 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.415 -4.146 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.196 -5.404 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.882 -3.720 2.360 1.00 0.00 H new ATOM 632 N LEU A 42 -2.779 -2.522 -0.290 1.00 0.00 N ATOM 633 CA LEU A 42 -1.959 -1.363 -0.041 1.00 0.00 C ATOM 634 C LEU A 42 -2.684 -0.103 -0.451 1.00 0.00 C ATOM 635 O LEU A 42 -3.529 -0.129 -1.332 1.00 0.00 O ATOM 636 CB LEU A 42 -0.658 -1.488 -0.827 1.00 0.00 C ATOM 637 CG LEU A 42 0.312 -0.319 -0.686 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.659 -0.097 0.770 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.568 -0.592 -1.491 1.00 0.00 C ATOM 0 H LEU A 42 -2.817 -2.807 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.741 -1.305 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.150 -2.399 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.902 -1.609 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.164 0.584 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.352 0.740 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.249 0.125 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.124 -0.996 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.257 0.246 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.045 -1.501 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.307 -0.718 -2.542 1.00 0.00 H new ATOM 651 N SER A 43 -2.338 1.002 0.167 1.00 0.00 N ATOM 652 CA SER A 43 -2.955 2.262 -0.184 1.00 0.00 C ATOM 653 C SER A 43 -1.938 3.367 -0.179 1.00 0.00 C ATOM 654 O SER A 43 -0.934 3.305 0.525 1.00 0.00 O ATOM 655 CB SER A 43 -4.135 2.588 0.717 1.00 0.00 C ATOM 656 OG SER A 43 -3.844 3.636 1.621 1.00 0.00 O ATOM 0 H SER A 43 -1.640 1.056 0.908 1.00 0.00 H new ATOM 0 HA SER A 43 -3.350 2.167 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.992 2.867 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.420 1.697 1.276 1.00 0.00 H new ATOM 0 HG SER A 43 -4.599 4.261 1.652 1.00 0.00 H new ATOM 662 N VAL A 44 -2.182 4.359 -1.003 1.00 0.00 N ATOM 663 CA VAL A 44 -1.248 5.464 -1.106 1.00 0.00 C ATOM 664 C VAL A 44 -1.923 6.766 -1.491 1.00 0.00 C ATOM 665 O VAL A 44 -2.830 6.794 -2.323 1.00 0.00 O ATOM 666 CB VAL A 44 -0.131 5.137 -2.115 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.541 5.480 -3.540 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.158 5.849 -1.737 1.00 0.00 C ATOM 0 H VAL A 44 -3.003 4.428 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.817 5.601 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 44 0.043 4.062 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.273 5.235 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.427 4.906 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.763 6.545 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.935 5.605 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.991 6.926 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.474 5.527 -0.745 1.00 0.00 H new ATOM 678 N ARG A 45 -1.434 7.851 -0.907 1.00 0.00 N ATOM 679 CA ARG A 45 -1.952 9.174 -1.222 1.00 0.00 C ATOM 680 C ARG A 45 -1.659 9.453 -2.688 1.00 0.00 C ATOM 681 O ARG A 45 -2.313 10.273 -3.332 1.00 0.00 O ATOM 682 CB ARG A 45 -1.335 10.274 -0.326 1.00 0.00 C ATOM 683 CG ARG A 45 -0.256 9.793 0.639 1.00 0.00 C ATOM 684 CD ARG A 45 -0.320 10.533 1.960 1.00 0.00 C ATOM 685 NE ARG A 45 -0.782 9.684 3.066 1.00 0.00 N ATOM 686 CZ ARG A 45 -0.234 9.653 4.290 1.00 0.00 C ATOM 687 NH1 ARG A 45 0.899 10.291 4.539 1.00 0.00 N ATOM 688 NH2 ARG A 45 -0.794 8.934 5.254 1.00 0.00 N ATOM 0 H ARG A 45 -0.683 7.841 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.025 9.191 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.909 11.046 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.133 10.742 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.374 8.724 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.726 9.936 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.668 10.927 2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.989 11.388 1.860 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.579 9.072 2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.364 10.813 3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.307 10.261 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.644 8.402 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.375 8.913 6.184 1.00 0.00 H new ATOM 702 N ASP A 46 -0.672 8.718 -3.203 1.00 0.00 N ATOM 703 CA ASP A 46 -0.252 8.808 -4.608 1.00 0.00 C ATOM 704 C ASP A 46 0.049 10.230 -5.088 1.00 0.00 C ATOM 705 O ASP A 46 0.381 10.416 -6.257 1.00 0.00 O ATOM 706 CB ASP A 46 -1.322 8.205 -5.512 1.00 0.00 C ATOM 707 CG ASP A 46 -2.455 9.172 -5.808 1.00 0.00 C ATOM 708 OD1 ASP A 46 -2.289 10.025 -6.706 1.00 0.00 O ATOM 709 OD2 ASP A 46 -3.507 9.075 -5.144 1.00 0.00 O ATOM 0 H ASP A 46 -0.138 8.041 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 46 0.682 8.250 -4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.864 7.891 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.728 7.310 -5.040 1.00 0.00 H new ATOM 714 N THR A 47 -0.090 11.209 -4.200 1.00 0.00 N ATOM 715 CA THR A 47 0.134 12.629 -4.506 1.00 0.00 C ATOM 716 C THR A 47 -1.163 13.406 -4.344 1.00 0.00 C ATOM 717 O THR A 47 -1.160 14.595 -4.029 1.00 0.00 O ATOM 718 CB THR A 47 0.716 12.867 -5.912 1.00 0.00 C ATOM 719 OG1 THR A 47 1.329 14.142 -5.985 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.315 12.797 -7.023 1.00 0.00 C ATOM 0 H THR A 47 -0.365 11.042 -3.232 1.00 0.00 H new ATOM 0 HA THR A 47 0.879 12.986 -3.795 1.00 0.00 H new ATOM 0 HB THR A 47 1.435 12.062 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.695 14.278 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.171 12.975 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.778 11.810 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.080 13.556 -6.858 1.00 0.00 H new ATOM 728 N GLN A 48 -2.266 12.708 -4.555 1.00 0.00 N ATOM 729 CA GLN A 48 -3.593 13.296 -4.432 1.00 0.00 C ATOM 730 C GLN A 48 -4.649 12.197 -4.357 1.00 0.00 C ATOM 731 O GLN A 48 -4.626 11.255 -5.149 1.00 0.00 O ATOM 732 CB GLN A 48 -3.881 14.221 -5.617 1.00 0.00 C ATOM 733 CG GLN A 48 -3.239 15.594 -5.492 1.00 0.00 C ATOM 734 CD GLN A 48 -3.916 16.634 -6.362 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.044 16.443 -6.816 1.00 0.00 O ATOM 736 NE2 GLN A 48 -3.227 17.745 -6.601 1.00 0.00 N ATOM 0 H GLN A 48 -2.269 11.722 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.628 13.884 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.526 13.746 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.960 14.342 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.277 15.916 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.186 15.525 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.295 17.862 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.631 18.481 -7.181 1.00 0.00 H new ATOM 745 N ALA A 49 -5.564 12.307 -3.399 1.00 0.00 N ATOM 746 CA ALA A 49 -6.607 11.300 -3.229 1.00 0.00 C ATOM 747 C ALA A 49 -5.982 9.957 -2.874 1.00 0.00 C ATOM 748 O ALA A 49 -4.812 9.718 -3.172 1.00 0.00 O ATOM 749 CB ALA A 49 -7.445 11.182 -4.493 1.00 0.00 C ATOM 0 H ALA A 49 -5.605 13.078 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.262 11.607 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.218 10.427 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.913 12.142 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.806 10.892 -5.327 1.00 0.00 H new ATOM 755 N VAL A 50 -6.746 9.081 -2.228 1.00 0.00 N ATOM 756 CA VAL A 50 -6.219 7.779 -1.843 1.00 0.00 C ATOM 757 C VAL A 50 -6.557 6.703 -2.863 1.00 0.00 C ATOM 758 O VAL A 50 -7.712 6.530 -3.254 1.00 0.00 O ATOM 759 CB VAL A 50 -6.733 7.333 -0.463 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.204 5.945 -0.114 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.331 8.344 0.595 1.00 0.00 C ATOM 0 H VAL A 50 -7.717 9.246 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.137 7.901 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.821 7.280 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.579 5.648 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.540 5.228 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.114 5.965 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.700 8.019 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.244 8.424 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.760 9.316 0.351 1.00 0.00 H new ATOM 771 N ARG A 51 -5.533 5.965 -3.263 1.00 0.00 N ATOM 772 CA ARG A 51 -5.689 4.876 -4.211 1.00 0.00 C ATOM 773 C ARG A 51 -5.262 3.580 -3.546 1.00 0.00 C ATOM 774 O ARG A 51 -4.118 3.445 -3.119 1.00 0.00 O ATOM 775 CB ARG A 51 -4.848 5.115 -5.466 1.00 0.00 C ATOM 776 CG ARG A 51 -4.589 6.581 -5.766 1.00 0.00 C ATOM 777 CD ARG A 51 -3.699 6.752 -6.987 1.00 0.00 C ATOM 778 NE ARG A 51 -4.092 5.867 -8.081 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.110 6.111 -8.903 1.00 0.00 C ATOM 780 NH1 ARG A 51 -5.839 7.211 -8.759 1.00 0.00 N ATOM 781 NH2 ARG A 51 -5.401 5.253 -9.870 1.00 0.00 N ATOM 0 H ARG A 51 -4.575 6.104 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.735 4.818 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.892 4.603 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.352 4.663 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.537 7.093 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.119 7.052 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.743 7.787 -7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.664 6.550 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.555 5.012 -8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.620 7.874 -8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.618 7.393 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.845 4.406 -9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.181 5.440 -10.500 1.00 0.00 H new ATOM 795 N HIS A 52 -6.181 2.635 -3.439 1.00 0.00 N ATOM 796 CA HIS A 52 -5.870 1.366 -2.803 1.00 0.00 C ATOM 797 C HIS A 52 -5.248 0.406 -3.806 1.00 0.00 C ATOM 798 O HIS A 52 -5.190 0.697 -5.001 1.00 0.00 O ATOM 799 CB HIS A 52 -7.134 0.759 -2.197 1.00 0.00 C ATOM 800 CG HIS A 52 -7.774 1.672 -1.212 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.118 2.106 -0.091 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.973 2.294 -1.213 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.870 2.966 0.554 1.00 0.00 C ATOM 804 NE2 HIS A 52 -9.012 3.098 -0.100 1.00 0.00 N ATOM 0 H HIS A 52 -7.138 2.720 -3.780 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.149 1.543 -2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.843 0.529 -2.992 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.886 -0.184 -1.709 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.187 1.806 0.198 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.754 2.181 -1.950 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.602 3.480 1.465 1.00 0.00 H new ATOM 813 N TYR A 53 -4.762 -0.726 -3.317 1.00 0.00 N ATOM 814 CA TYR A 53 -4.120 -1.703 -4.177 1.00 0.00 C ATOM 815 C TYR A 53 -4.187 -3.106 -3.585 1.00 0.00 C ATOM 816 O TYR A 53 -3.847 -3.315 -2.424 1.00 0.00 O ATOM 817 CB TYR A 53 -2.658 -1.313 -4.386 1.00 0.00 C ATOM 818 CG TYR A 53 -2.448 0.159 -4.675 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.616 0.655 -5.957 1.00 0.00 C ATOM 820 CD2 TYR A 53 -2.066 1.046 -3.672 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.409 1.989 -6.243 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.861 2.386 -3.950 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.032 2.850 -5.238 1.00 0.00 C ATOM 824 OH TYR A 53 -1.821 4.178 -5.522 1.00 0.00 O ATOM 0 H TYR A 53 -4.801 -0.988 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.651 -1.712 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.090 -1.583 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.252 -1.896 -5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.915 -0.016 -6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.928 0.684 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.542 2.355 -7.250 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.569 3.065 -3.163 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.915 4.297 -5.875 1.00 0.00 H new ATOM 834 N LYS A 54 -4.601 -4.068 -4.398 1.00 0.00 N ATOM 835 CA LYS A 54 -4.683 -5.456 -3.963 1.00 0.00 C ATOM 836 C LYS A 54 -3.328 -6.132 -4.121 1.00 0.00 C ATOM 837 O LYS A 54 -2.834 -6.286 -5.236 1.00 0.00 O ATOM 838 CB LYS A 54 -5.737 -6.209 -4.775 1.00 0.00 C ATOM 839 CG LYS A 54 -6.207 -7.494 -4.116 1.00 0.00 C ATOM 840 CD LYS A 54 -5.423 -8.697 -4.615 1.00 0.00 C ATOM 841 CE LYS A 54 -6.164 -9.423 -5.726 1.00 0.00 C ATOM 842 NZ LYS A 54 -7.055 -10.492 -5.196 1.00 0.00 N ATOM 0 H LYS A 54 -4.886 -3.912 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.972 -5.474 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.596 -5.557 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.328 -6.443 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.097 -7.410 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.268 -7.641 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.448 -8.372 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.242 -9.383 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.756 -8.707 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.443 -9.861 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.423 -11.060 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.517 -11.104 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.849 -10.059 -4.682 1.00 0.00 H new ATOM 856 N ILE A 55 -2.734 -6.536 -3.004 1.00 0.00 N ATOM 857 CA ILE A 55 -1.438 -7.198 -3.022 1.00 0.00 C ATOM 858 C ILE A 55 -1.642 -8.696 -2.840 1.00 0.00 C ATOM 859 O ILE A 55 -1.860 -9.172 -1.728 1.00 0.00 O ATOM 860 CB ILE A 55 -0.507 -6.657 -1.911 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.816 -5.188 -1.583 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.953 -6.803 -2.307 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.434 -4.802 -0.174 1.00 0.00 C ATOM 0 H ILE A 55 -3.132 -6.416 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.961 -6.996 -3.981 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.691 -7.253 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.285 -4.546 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.881 -5.006 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.587 -6.415 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.181 -7.856 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.139 -6.243 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.678 -3.753 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.984 -5.421 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.636 -4.953 -0.033 1.00 0.00 H new ATOM 875 N TRP A 56 -1.610 -9.426 -3.950 1.00 0.00 N ATOM 876 CA TRP A 56 -1.839 -10.867 -3.931 1.00 0.00 C ATOM 877 C TRP A 56 -0.564 -11.647 -3.615 1.00 0.00 C ATOM 878 O TRP A 56 0.539 -11.228 -3.958 1.00 0.00 O ATOM 879 CB TRP A 56 -2.421 -11.300 -5.284 1.00 0.00 C ATOM 880 CG TRP A 56 -2.795 -12.748 -5.358 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.281 -13.521 -4.349 1.00 0.00 C ATOM 882 CD2 TRP A 56 -2.725 -13.592 -6.513 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.511 -14.799 -4.799 1.00 0.00 N ATOM 884 CE2 TRP A 56 -3.178 -14.867 -6.126 1.00 0.00 C ATOM 885 CE3 TRP A 56 -2.319 -13.393 -7.836 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -3.236 -15.937 -7.016 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -2.378 -14.455 -8.717 1.00 0.00 C ATOM 888 CH2 TRP A 56 -2.834 -15.713 -8.304 1.00 0.00 C ATOM 0 H TRP A 56 -1.427 -9.042 -4.877 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.548 -11.093 -3.135 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.304 -10.697 -5.496 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.692 -11.084 -6.066 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.460 -13.179 -3.340 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.871 -15.570 -4.237 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.966 -12.426 -8.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.586 -16.909 -6.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.067 -14.313 -9.742 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.869 -16.523 -9.017 1.00 0.00 H new ATOM 899 N ARG A 57 -0.733 -12.785 -2.949 1.00 0.00 N ATOM 900 CA ARG A 57 0.389 -13.639 -2.577 1.00 0.00 C ATOM 901 C ARG A 57 0.588 -14.736 -3.620 1.00 0.00 C ATOM 902 O ARG A 57 -0.357 -15.135 -4.300 1.00 0.00 O ATOM 903 CB ARG A 57 0.139 -14.264 -1.201 1.00 0.00 C ATOM 904 CG ARG A 57 1.334 -15.019 -0.641 1.00 0.00 C ATOM 905 CD ARG A 57 0.899 -16.107 0.327 1.00 0.00 C ATOM 906 NE ARG A 57 1.875 -16.318 1.391 1.00 0.00 N ATOM 907 CZ ARG A 57 1.648 -17.066 2.469 1.00 0.00 C ATOM 908 NH1 ARG A 57 0.478 -17.674 2.629 1.00 0.00 N ATOM 909 NH2 ARG A 57 2.592 -17.207 3.390 1.00 0.00 N ATOM 0 H ARG A 57 -1.643 -13.139 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 57 1.292 -13.030 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.142 -13.477 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.709 -14.946 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.901 -15.463 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.000 -14.322 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.062 -15.838 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.751 -17.039 -0.219 1.00 0.00 H new ATOM 0 HE ARG A 57 2.785 -15.866 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.252 -17.569 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.309 -18.246 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.492 -16.742 3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.418 -17.780 4.216 1.00 0.00 H new ATOM 923 N ARG A 58 1.819 -15.216 -3.745 1.00 0.00 N ATOM 924 CA ARG A 58 2.135 -16.262 -4.711 1.00 0.00 C ATOM 925 C ARG A 58 2.023 -17.652 -4.085 1.00 0.00 C ATOM 926 O ARG A 58 2.651 -18.601 -4.552 1.00 0.00 O ATOM 927 CB ARG A 58 3.544 -16.053 -5.266 1.00 0.00 C ATOM 928 CG ARG A 58 3.572 -15.293 -6.581 1.00 0.00 C ATOM 929 CD ARG A 58 4.362 -16.040 -7.644 1.00 0.00 C ATOM 930 NE ARG A 58 3.533 -17.000 -8.367 1.00 0.00 N ATOM 931 CZ ARG A 58 2.661 -16.660 -9.315 1.00 0.00 C ATOM 932 NH1 ARG A 58 2.506 -15.387 -9.658 1.00 0.00 N ATOM 933 NH2 ARG A 58 1.943 -17.595 -9.921 1.00 0.00 N ATOM 0 H ARG A 58 2.614 -14.899 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 58 1.411 -16.198 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.139 -15.512 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.018 -17.024 -5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.552 -15.133 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.013 -14.309 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.788 -15.325 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.197 -16.562 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 58 3.627 -17.988 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.056 -14.663 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.837 -15.132 -10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.058 -18.575 -9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.275 -17.335 -10.647 1.00 0.00 H new ATOM 947 N ALA A 59 1.222 -17.767 -3.028 1.00 0.00 N ATOM 948 CA ALA A 59 1.036 -19.044 -2.348 1.00 0.00 C ATOM 949 C ALA A 59 2.373 -19.643 -1.921 1.00 0.00 C ATOM 950 O ALA A 59 2.827 -20.640 -2.483 1.00 0.00 O ATOM 951 CB ALA A 59 0.283 -20.014 -3.247 1.00 0.00 C ATOM 0 H ALA A 59 0.693 -16.993 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 59 0.447 -18.865 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.151 -20.963 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.693 -19.597 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.851 -20.177 -4.163 1.00 0.00 H new ATOM 957 N GLY A 60 2.999 -19.027 -0.925 1.00 0.00 N ATOM 958 CA GLY A 60 4.278 -19.511 -0.443 1.00 0.00 C ATOM 959 C GLY A 60 5.172 -18.393 0.051 1.00 0.00 C ATOM 960 O GLY A 60 5.955 -18.580 0.984 1.00 0.00 O ATOM 0 H GLY A 60 2.644 -18.201 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.112 -20.223 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.784 -20.050 -1.244 1.00 0.00 H new ATOM 964 N GLY A 61 5.056 -17.225 -0.573 1.00 0.00 N ATOM 965 CA GLY A 61 5.867 -16.089 -0.175 1.00 0.00 C ATOM 966 C GLY A 61 6.252 -15.210 -1.349 1.00 0.00 C ATOM 967 O GLY A 61 7.338 -15.352 -1.910 1.00 0.00 O ATOM 0 H GLY A 61 4.416 -17.045 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.319 -15.494 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.771 -16.447 0.318 1.00 0.00 H new ATOM 971 N ARG A 62 5.359 -14.296 -1.719 1.00 0.00 N ATOM 972 CA ARG A 62 5.607 -13.385 -2.831 1.00 0.00 C ATOM 973 C ARG A 62 4.373 -12.537 -3.117 1.00 0.00 C ATOM 974 O ARG A 62 3.338 -13.049 -3.541 1.00 0.00 O ATOM 975 CB ARG A 62 6.017 -14.161 -4.088 1.00 0.00 C ATOM 976 CG ARG A 62 7.402 -13.801 -4.603 1.00 0.00 C ATOM 977 CD ARG A 62 7.741 -14.563 -5.875 1.00 0.00 C ATOM 978 NE ARG A 62 8.233 -13.679 -6.929 1.00 0.00 N ATOM 979 CZ ARG A 62 8.948 -14.094 -7.972 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.257 -15.378 -8.106 1.00 0.00 N ATOM 981 NH2 ARG A 62 9.355 -13.223 -8.886 1.00 0.00 N ATOM 0 H ARG A 62 4.456 -14.167 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 62 6.426 -12.724 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.986 -15.229 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.286 -13.974 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.452 -12.729 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.145 -14.022 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.495 -15.319 -5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.855 -15.090 -6.229 1.00 0.00 H new ATOM 0 HE ARG A 62 8.016 -12.685 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.946 -16.053 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.805 -15.690 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.120 -12.235 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.903 -13.541 -9.685 1.00 0.00 H new ATOM 995 N LEU A 63 4.498 -11.238 -2.880 1.00 0.00 N ATOM 996 CA LEU A 63 3.404 -10.308 -3.107 1.00 0.00 C ATOM 997 C LEU A 63 3.505 -9.692 -4.489 1.00 0.00 C ATOM 998 O LEU A 63 4.598 -9.430 -4.983 1.00 0.00 O ATOM 999 CB LEU A 63 3.405 -9.200 -2.054 1.00 0.00 C ATOM 1000 CG LEU A 63 2.749 -9.575 -0.729 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.338 -10.092 -0.966 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.589 -10.614 0.002 1.00 0.00 C ATOM 0 H LEU A 63 5.352 -10.804 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 63 2.471 -10.867 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.436 -8.902 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.893 -8.329 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 63 2.687 -8.684 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.882 -10.356 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.743 -9.318 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.376 -10.974 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.108 -10.872 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.680 -11.508 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.581 -10.207 0.199 1.00 0.00 H new ATOM 1014 N HIS A 64 2.358 -9.452 -5.098 1.00 0.00 N ATOM 1015 CA HIS A 64 2.315 -8.854 -6.415 1.00 0.00 C ATOM 1016 C HIS A 64 0.989 -8.148 -6.633 1.00 0.00 C ATOM 1017 O HIS A 64 -0.029 -8.780 -6.915 1.00 0.00 O ATOM 1018 CB HIS A 64 2.556 -9.904 -7.504 1.00 0.00 C ATOM 1019 CG HIS A 64 1.749 -11.156 -7.352 1.00 0.00 C ATOM 1020 ND1 HIS A 64 2.053 -12.324 -8.018 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.652 -11.427 -6.608 1.00 0.00 C ATOM 1022 CE1 HIS A 64 1.179 -13.257 -7.692 1.00 0.00 C ATOM 1023 NE2 HIS A 64 0.317 -12.740 -6.836 1.00 0.00 N ATOM 0 H HIS A 64 1.444 -9.663 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 64 3.115 -8.116 -6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.334 -9.460 -8.474 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.614 -10.167 -7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.135 -10.739 -5.956 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.170 -14.271 -8.062 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.469 -13.234 -6.413 1.00 0.00 H new ATOM 1032 N LEU A 65 1.004 -6.829 -6.498 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.201 -6.044 -6.685 1.00 0.00 C ATOM 1034 C LEU A 65 -0.670 -6.147 -8.134 1.00 0.00 C ATOM 1035 O LEU A 65 -1.829 -5.877 -8.450 1.00 0.00 O ATOM 1036 CB LEU A 65 0.045 -4.586 -6.300 1.00 0.00 C ATOM 1037 CG LEU A 65 0.357 -4.362 -4.819 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.828 -4.627 -4.541 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -0.023 -2.950 -4.395 1.00 0.00 C ATOM 0 H LEU A 65 1.834 -6.286 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.983 -6.439 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.874 -4.202 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.835 -4.001 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.237 -5.063 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.034 -4.463 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.068 -5.658 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.439 -3.950 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.207 -2.813 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.541 -2.228 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.090 -2.796 -4.556 1.00 0.00 H new ATOM 1051 N ASN A 66 0.249 -6.558 -9.002 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.035 -6.727 -10.420 1.00 0.00 C ATOM 1053 C ASN A 66 0.803 -7.866 -10.993 1.00 0.00 C ATOM 1054 O ASN A 66 1.620 -8.459 -10.289 1.00 0.00 O ATOM 1055 CB ASN A 66 0.245 -5.433 -11.185 1.00 0.00 C ATOM 1056 CG ASN A 66 -1.026 -4.683 -11.532 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.709 -4.154 -10.655 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.353 -4.638 -12.819 1.00 0.00 N ATOM 0 H ASN A 66 1.209 -6.782 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.091 -6.973 -10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.891 -4.791 -10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.789 -5.665 -12.101 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.199 -4.151 -13.113 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.758 -5.090 -13.513 1.00 0.00 H new ATOM 1065 N GLU A 67 0.599 -8.168 -12.270 1.00 0.00 N ATOM 1066 CA GLU A 67 1.338 -9.243 -12.926 1.00 0.00 C ATOM 1067 C GLU A 67 2.738 -8.795 -13.349 1.00 0.00 C ATOM 1068 O GLU A 67 3.332 -9.378 -14.257 1.00 0.00 O ATOM 1069 CB GLU A 67 0.564 -9.745 -14.147 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.457 -10.823 -13.821 1.00 0.00 C ATOM 1071 CD GLU A 67 -0.869 -11.624 -15.041 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -1.441 -11.027 -15.978 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -0.620 -12.848 -15.061 1.00 0.00 O ATOM 0 H GLU A 67 -0.069 -7.686 -12.871 1.00 0.00 H new ATOM 0 HA GLU A 67 1.450 -10.052 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.054 -8.903 -14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.271 -10.136 -14.879 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.042 -11.497 -13.072 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.340 -10.361 -13.379 1.00 0.00 H new ATOM 1080 N ALA A 68 3.266 -7.763 -12.693 1.00 0.00 N ATOM 1081 CA ALA A 68 4.593 -7.260 -13.018 1.00 0.00 C ATOM 1082 C ALA A 68 5.307 -6.696 -11.789 1.00 0.00 C ATOM 1083 O ALA A 68 6.336 -6.032 -11.917 1.00 0.00 O ATOM 1084 CB ALA A 68 4.500 -6.199 -14.103 1.00 0.00 C ATOM 0 H ALA A 68 2.796 -7.263 -11.938 1.00 0.00 H new ATOM 0 HA ALA A 68 5.183 -8.101 -13.383 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.498 -5.830 -14.338 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.053 -6.632 -14.998 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.881 -5.373 -13.752 1.00 0.00 H new ATOM 1090 N VAL A 69 4.768 -6.954 -10.596 1.00 0.00 N ATOM 1091 CA VAL A 69 5.384 -6.453 -9.369 1.00 0.00 C ATOM 1092 C VAL A 69 5.420 -7.522 -8.277 1.00 0.00 C ATOM 1093 O VAL A 69 4.917 -7.312 -7.174 1.00 0.00 O ATOM 1094 CB VAL A 69 4.641 -5.207 -8.840 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.616 -4.114 -9.897 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.226 -5.564 -8.403 1.00 0.00 C ATOM 0 H VAL A 69 3.918 -7.500 -10.455 1.00 0.00 H new ATOM 0 HA VAL A 69 6.408 -6.179 -9.622 1.00 0.00 H new ATOM 0 HB VAL A 69 5.179 -4.833 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.089 -3.243 -9.508 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.637 -3.834 -10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.104 -4.480 -10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.723 -4.670 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.674 -5.967 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.268 -6.310 -7.610 1.00 0.00 H new ATOM 1106 N SER A 70 6.012 -8.670 -8.590 1.00 0.00 N ATOM 1107 CA SER A 70 6.100 -9.769 -7.632 1.00 0.00 C ATOM 1108 C SER A 70 7.318 -9.633 -6.719 1.00 0.00 C ATOM 1109 O SER A 70 8.428 -9.366 -7.179 1.00 0.00 O ATOM 1110 CB SER A 70 6.151 -11.109 -8.367 1.00 0.00 C ATOM 1111 OG SER A 70 5.421 -11.053 -9.580 1.00 0.00 O ATOM 0 H SER A 70 6.437 -8.864 -9.497 1.00 0.00 H new ATOM 0 HA SER A 70 5.208 -9.729 -7.007 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.188 -11.374 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.743 -11.893 -7.729 1.00 0.00 H new ATOM 0 HG SER A 70 5.470 -11.921 -10.032 1.00 0.00 H new ATOM 1117 N PHE A 71 7.093 -9.826 -5.420 1.00 0.00 N ATOM 1118 CA PHE A 71 8.163 -9.732 -4.430 1.00 0.00 C ATOM 1119 C PHE A 71 7.840 -10.553 -3.186 1.00 0.00 C ATOM 1120 O PHE A 71 6.810 -10.356 -2.549 1.00 0.00 O ATOM 1121 CB PHE A 71 8.409 -8.275 -4.054 1.00 0.00 C ATOM 1122 CG PHE A 71 9.527 -7.647 -4.835 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.845 -7.827 -4.450 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.259 -6.883 -5.959 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.876 -7.257 -5.172 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.286 -6.310 -6.685 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.597 -6.498 -6.290 1.00 0.00 C ATOM 0 H PHE A 71 6.178 -10.049 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 71 9.070 -10.141 -4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.495 -7.704 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.638 -8.214 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.070 -8.420 -3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.236 -6.733 -6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.900 -7.405 -4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.064 -5.716 -7.560 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.402 -6.052 -6.855 1.00 0.00 H new ATOM 1137 N LEU A 72 8.750 -11.470 -2.868 1.00 0.00 N ATOM 1138 CA LEU A 72 8.645 -12.369 -1.711 1.00 0.00 C ATOM 1139 C LEU A 72 7.724 -11.849 -0.602 1.00 0.00 C ATOM 1140 O LEU A 72 6.969 -12.619 -0.008 1.00 0.00 O ATOM 1141 CB LEU A 72 10.040 -12.599 -1.139 1.00 0.00 C ATOM 1142 CG LEU A 72 10.915 -11.345 -1.092 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.632 -10.550 0.175 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.387 -11.717 -1.178 1.00 0.00 C ATOM 0 H LEU A 72 9.599 -11.616 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 72 8.199 -13.296 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.945 -13.000 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.545 -13.358 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 72 10.673 -10.720 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.262 -9.661 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.583 -10.253 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.848 -11.167 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.994 -10.812 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.649 -12.362 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.575 -12.244 -2.113 1.00 0.00 H new ATOM 1156 N SER A 73 7.795 -10.553 -0.312 1.00 0.00 N ATOM 1157 CA SER A 73 6.972 -9.968 0.740 1.00 0.00 C ATOM 1158 C SER A 73 6.634 -8.513 0.443 1.00 0.00 C ATOM 1159 O SER A 73 7.096 -7.946 -0.546 1.00 0.00 O ATOM 1160 CB SER A 73 7.688 -10.069 2.088 1.00 0.00 C ATOM 1161 OG SER A 73 6.762 -10.055 3.161 1.00 0.00 O ATOM 0 H SER A 73 8.410 -9.892 -0.787 1.00 0.00 H new ATOM 0 HA SER A 73 6.039 -10.530 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.276 -10.986 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.386 -9.239 2.195 1.00 0.00 H new ATOM 0 HG SER A 73 7.245 -10.122 4.011 1.00 0.00 H new ATOM 1167 N LEU A 74 5.824 -7.914 1.313 1.00 0.00 N ATOM 1168 CA LEU A 74 5.424 -6.523 1.147 1.00 0.00 C ATOM 1169 C LEU A 74 6.645 -5.605 1.105 1.00 0.00 C ATOM 1170 O LEU A 74 6.890 -4.935 0.105 1.00 0.00 O ATOM 1171 CB LEU A 74 4.496 -6.081 2.277 1.00 0.00 C ATOM 1172 CG LEU A 74 3.063 -5.760 1.852 1.00 0.00 C ATOM 1173 CD1 LEU A 74 3.041 -5.067 0.493 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.220 -7.026 1.822 1.00 0.00 C ATOM 0 H LEU A 74 5.434 -8.371 2.137 1.00 0.00 H new ATOM 0 HA LEU A 74 4.890 -6.449 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.467 -6.868 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.924 -5.199 2.753 1.00 0.00 H new ATOM 0 HG LEU A 74 2.635 -5.078 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.011 -4.849 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.606 -4.137 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.490 -5.720 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.203 -6.779 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.650 -7.733 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.202 -7.475 2.815 1.00 0.00 H new ATOM 1186 N PRO A 75 7.429 -5.560 2.205 1.00 0.00 N ATOM 1187 CA PRO A 75 8.625 -4.725 2.310 1.00 0.00 C ATOM 1188 C PRO A 75 9.410 -4.660 1.005 1.00 0.00 C ATOM 1189 O PRO A 75 9.832 -3.586 0.577 1.00 0.00 O ATOM 1190 CB PRO A 75 9.454 -5.409 3.411 1.00 0.00 C ATOM 1191 CG PRO A 75 8.623 -6.551 3.920 1.00 0.00 C ATOM 1192 CD PRO A 75 7.218 -6.316 3.442 1.00 0.00 C ATOM 0 HA PRO A 75 8.374 -3.689 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.405 -5.767 3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.686 -4.709 4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.004 -7.502 3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.658 -6.599 5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.689 -7.251 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.631 -5.753 4.167 1.00 0.00 H new ATOM 1200 N GLU A 76 9.592 -5.812 0.370 1.00 0.00 N ATOM 1201 CA GLU A 76 10.312 -5.873 -0.893 1.00 0.00 C ATOM 1202 C GLU A 76 9.395 -5.449 -2.032 1.00 0.00 C ATOM 1203 O GLU A 76 9.806 -4.729 -2.943 1.00 0.00 O ATOM 1204 CB GLU A 76 10.848 -7.284 -1.135 1.00 0.00 C ATOM 1205 CG GLU A 76 11.734 -7.797 -0.011 1.00 0.00 C ATOM 1206 CD GLU A 76 12.826 -6.816 0.372 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.496 -5.747 0.927 1.00 0.00 O ATOM 1208 OE2 GLU A 76 14.010 -7.115 0.115 1.00 0.00 O ATOM 0 H GLU A 76 9.252 -6.712 0.708 1.00 0.00 H new ATOM 0 HA GLU A 76 11.159 -5.189 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.008 -7.966 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.414 -7.294 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.118 -8.008 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.189 -8.740 -0.315 1.00 0.00 H new ATOM 1215 N LEU A 77 8.143 -5.888 -1.960 1.00 0.00 N ATOM 1216 CA LEU A 77 7.148 -5.545 -2.971 1.00 0.00 C ATOM 1217 C LEU A 77 7.001 -4.030 -3.069 1.00 0.00 C ATOM 1218 O LEU A 77 7.008 -3.465 -4.163 1.00 0.00 O ATOM 1219 CB LEU A 77 5.802 -6.208 -2.628 1.00 0.00 C ATOM 1220 CG LEU A 77 4.538 -5.514 -3.162 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.146 -4.343 -2.268 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.729 -5.056 -4.603 1.00 0.00 C ATOM 0 H LEU A 77 7.792 -6.484 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 77 7.477 -5.918 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.818 -7.229 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.722 -6.275 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 77 3.726 -6.241 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.249 -3.867 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.948 -4.706 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.960 -3.618 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.819 -4.569 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.560 -4.352 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.945 -5.919 -5.233 1.00 0.00 H new ATOM 1234 N VAL A 78 6.882 -3.377 -1.920 1.00 0.00 N ATOM 1235 CA VAL A 78 6.749 -1.931 -1.880 1.00 0.00 C ATOM 1236 C VAL A 78 8.046 -1.273 -2.341 1.00 0.00 C ATOM 1237 O VAL A 78 8.029 -0.206 -2.956 1.00 0.00 O ATOM 1238 CB VAL A 78 6.391 -1.435 -0.464 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.377 0.086 -0.407 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.046 -1.998 -0.026 1.00 0.00 C ATOM 0 H VAL A 78 6.875 -3.828 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 78 5.938 -1.654 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 78 7.157 -1.792 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.122 0.410 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.362 0.469 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.637 0.470 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.809 -1.638 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.272 -1.673 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.093 -3.087 -0.018 1.00 0.00 H new ATOM 1250 N ASN A 79 9.171 -1.922 -2.048 1.00 0.00 N ATOM 1251 CA ASN A 79 10.477 -1.406 -2.441 1.00 0.00 C ATOM 1252 C ASN A 79 10.493 -1.086 -3.931 1.00 0.00 C ATOM 1253 O ASN A 79 10.894 0.004 -4.339 1.00 0.00 O ATOM 1254 CB ASN A 79 11.573 -2.420 -2.110 1.00 0.00 C ATOM 1255 CG ASN A 79 12.962 -1.820 -2.205 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.374 -1.039 -1.348 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.693 -2.182 -3.254 1.00 0.00 N ATOM 0 H ASN A 79 9.203 -2.806 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 79 10.668 -0.490 -1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.415 -2.806 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.499 -3.267 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.635 -1.809 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.312 -2.833 -3.941 1.00 0.00 H new ATOM 1264 N TYR A 80 10.036 -2.039 -4.736 1.00 0.00 N ATOM 1265 CA TYR A 80 9.978 -1.854 -6.178 1.00 0.00 C ATOM 1266 C TYR A 80 8.942 -0.792 -6.521 1.00 0.00 C ATOM 1267 O TYR A 80 9.118 -0.014 -7.459 1.00 0.00 O ATOM 1268 CB TYR A 80 9.636 -3.174 -6.872 1.00 0.00 C ATOM 1269 CG TYR A 80 9.481 -3.055 -8.372 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.552 -2.673 -9.170 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.266 -3.324 -8.988 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.416 -2.563 -10.541 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.122 -3.217 -10.359 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.199 -2.835 -11.130 1.00 0.00 C ATOM 1275 OH TYR A 80 9.059 -2.727 -12.495 1.00 0.00 O ATOM 0 H TYR A 80 9.701 -2.947 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 80 10.955 -1.523 -6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.418 -3.901 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.710 -3.566 -6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.506 -2.459 -8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.420 -3.622 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.258 -2.266 -11.148 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.171 -3.432 -10.823 1.00 0.00 H new ATOM 0 HH TYR A 80 8.140 -2.954 -12.749 1.00 0.00 H new ATOM 1285 N HIS A 81 7.865 -0.758 -5.740 1.00 0.00 N ATOM 1286 CA HIS A 81 6.806 0.219 -5.944 1.00 0.00 C ATOM 1287 C HIS A 81 7.355 1.627 -5.763 1.00 0.00 C ATOM 1288 O HIS A 81 6.914 2.569 -6.423 1.00 0.00 O ATOM 1289 CB HIS A 81 5.660 -0.010 -4.953 1.00 0.00 C ATOM 1290 CG HIS A 81 4.522 -0.815 -5.497 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.292 -0.979 -6.844 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.539 -1.502 -4.864 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.224 -1.732 -7.020 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.747 -2.063 -5.836 1.00 0.00 N ATOM 0 H HIS A 81 7.705 -1.397 -4.961 1.00 0.00 H new ATOM 0 HA HIS A 81 6.425 0.102 -6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.055 -0.513 -4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.280 0.958 -4.626 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.860 -0.580 -7.591 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.404 -1.591 -3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.810 -2.028 -7.973 1.00 0.00 H new ATOM 1303 N ARG A 82 8.320 1.763 -4.857 1.00 0.00 N ATOM 1304 CA ARG A 82 8.924 3.057 -4.582 1.00 0.00 C ATOM 1305 C ARG A 82 9.799 3.500 -5.733 1.00 0.00 C ATOM 1306 O ARG A 82 9.919 4.689 -6.020 1.00 0.00 O ATOM 1307 CB ARG A 82 9.720 3.010 -3.273 1.00 0.00 C ATOM 1308 CG ARG A 82 10.576 4.246 -3.013 1.00 0.00 C ATOM 1309 CD ARG A 82 11.928 3.874 -2.426 1.00 0.00 C ATOM 1310 NE ARG A 82 11.823 3.457 -1.029 1.00 0.00 N ATOM 1311 CZ ARG A 82 11.540 4.287 -0.027 1.00 0.00 C ATOM 1312 NH1 ARG A 82 11.334 5.576 -0.264 1.00 0.00 N ATOM 1313 NH2 ARG A 82 11.464 3.826 1.214 1.00 0.00 N ATOM 0 H ARG A 82 8.697 0.993 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 82 8.126 3.791 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.025 2.883 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.365 2.132 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.721 4.792 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.053 4.915 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.368 3.068 -3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.602 4.727 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 82 11.975 2.473 -0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.392 5.935 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.117 6.208 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.622 2.836 1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.247 4.462 1.982 1.00 0.00 H new ATOM 1327 N ALA A 83 10.384 2.543 -6.404 1.00 0.00 N ATOM 1328 CA ALA A 83 11.218 2.845 -7.542 1.00 0.00 C ATOM 1329 C ALA A 83 10.326 3.179 -8.726 1.00 0.00 C ATOM 1330 O ALA A 83 10.265 4.319 -9.184 1.00 0.00 O ATOM 1331 CB ALA A 83 12.132 1.673 -7.866 1.00 0.00 C ATOM 0 H ALA A 83 10.300 1.550 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 83 11.853 3.701 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.752 1.922 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.771 1.462 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.529 0.794 -8.095 1.00 0.00 H new ATOM 1337 N GLN A 84 9.626 2.161 -9.199 1.00 0.00 N ATOM 1338 CA GLN A 84 8.705 2.303 -10.321 1.00 0.00 C ATOM 1339 C GLN A 84 7.256 2.443 -9.859 1.00 0.00 C ATOM 1340 O GLN A 84 6.818 1.746 -8.944 1.00 0.00 O ATOM 1341 CB GLN A 84 8.836 1.111 -11.272 1.00 0.00 C ATOM 1342 CG GLN A 84 10.273 0.781 -11.642 1.00 0.00 C ATOM 1343 CD GLN A 84 10.717 1.462 -12.920 1.00 0.00 C ATOM 1344 OE1 GLN A 84 9.893 1.887 -13.730 1.00 0.00 O ATOM 1345 NE2 GLN A 84 12.027 1.569 -13.109 1.00 0.00 N ATOM 0 H GLN A 84 9.678 1.216 -8.820 1.00 0.00 H new ATOM 0 HA GLN A 84 8.975 3.219 -10.847 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.379 0.236 -10.809 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.274 1.320 -12.182 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.932 1.081 -10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.376 -0.298 -11.755 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.675 1.203 -12.411 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.386 2.018 -13.952 1.00 0.00 H new ATOM 1354 N SER A 85 6.504 3.312 -10.526 1.00 0.00 N ATOM 1355 CA SER A 85 5.089 3.497 -10.213 1.00 0.00 C ATOM 1356 C SER A 85 4.225 2.645 -11.146 1.00 0.00 C ATOM 1357 O SER A 85 3.008 2.825 -11.215 1.00 0.00 O ATOM 1358 CB SER A 85 4.688 4.966 -10.347 1.00 0.00 C ATOM 1359 OG SER A 85 5.789 5.767 -10.739 1.00 0.00 O ATOM 0 H SER A 85 6.849 3.899 -11.286 1.00 0.00 H new ATOM 0 HA SER A 85 4.929 3.183 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.887 5.061 -11.080 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.294 5.326 -9.396 1.00 0.00 H new ATOM 0 HG SER A 85 5.502 6.701 -10.818 1.00 0.00 H new ATOM 1365 N LEU A 86 4.874 1.732 -11.877 1.00 0.00 N ATOM 1366 CA LEU A 86 4.199 0.851 -12.835 1.00 0.00 C ATOM 1367 C LEU A 86 2.786 0.479 -12.390 1.00 0.00 C ATOM 1368 O LEU A 86 1.802 0.983 -12.929 1.00 0.00 O ATOM 1369 CB LEU A 86 5.031 -0.421 -13.042 1.00 0.00 C ATOM 1370 CG LEU A 86 4.347 -1.531 -13.850 1.00 0.00 C ATOM 1371 CD1 LEU A 86 5.071 -1.757 -15.169 1.00 0.00 C ATOM 1372 CD2 LEU A 86 4.291 -2.821 -13.044 1.00 0.00 C ATOM 0 H LEU A 86 5.882 1.583 -11.821 1.00 0.00 H new ATOM 0 HA LEU A 86 4.109 1.398 -13.774 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.960 -0.149 -13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.302 -0.821 -12.065 1.00 0.00 H new ATOM 0 HG LEU A 86 3.326 -1.217 -14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.571 -2.548 -15.728 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.059 -0.837 -15.753 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.103 -2.048 -14.972 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.802 -3.597 -13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.303 -3.138 -12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.727 -2.653 -12.127 1.00 0.00 H new ATOM 1384 N SER A 87 2.697 -0.412 -11.412 1.00 0.00 N ATOM 1385 CA SER A 87 1.405 -0.856 -10.904 1.00 0.00 C ATOM 1386 C SER A 87 1.071 -0.160 -9.596 1.00 0.00 C ATOM 1387 O SER A 87 0.592 -0.785 -8.649 1.00 0.00 O ATOM 1388 CB SER A 87 1.405 -2.372 -10.704 1.00 0.00 C ATOM 1389 OG SER A 87 0.249 -2.792 -10.001 1.00 0.00 O ATOM 0 H SER A 87 3.502 -0.841 -10.955 1.00 0.00 H new ATOM 0 HA SER A 87 0.644 -0.595 -11.639 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.447 -2.870 -11.673 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.298 -2.670 -10.154 1.00 0.00 H new ATOM 0 HG SER A 87 0.275 -2.438 -9.088 1.00 0.00 H new ATOM 1395 N HIS A 88 1.330 1.138 -9.543 1.00 0.00 N ATOM 1396 CA HIS A 88 1.057 1.908 -8.344 1.00 0.00 C ATOM 1397 C HIS A 88 1.009 3.403 -8.656 1.00 0.00 C ATOM 1398 O HIS A 88 1.931 3.955 -9.254 1.00 0.00 O ATOM 1399 CB HIS A 88 2.111 1.596 -7.282 1.00 0.00 C ATOM 1400 CG HIS A 88 1.638 1.841 -5.891 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.237 0.831 -5.047 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.496 2.989 -5.197 1.00 0.00 C ATOM 1403 CE1 HIS A 88 0.865 1.349 -3.895 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.015 2.657 -3.959 1.00 0.00 N ATOM 0 H HIS A 88 1.727 1.676 -10.313 1.00 0.00 H new ATOM 0 HA HIS A 88 0.078 1.626 -7.956 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.414 0.553 -7.377 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.996 2.204 -7.469 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.229 -0.163 -5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.720 3.984 -5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.499 0.796 -3.042 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.092 4.039 -8.255 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.293 5.463 -8.499 1.00 0.00 C ATOM 1415 C GLY A 89 0.969 6.298 -8.374 1.00 0.00 C ATOM 1416 O GLY A 89 1.302 7.066 -9.276 1.00 0.00 O ATOM 0 H GLY A 89 -0.859 3.586 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.705 5.595 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.036 5.840 -7.796 1.00 0.00 H new ATOM 1420 N LEU A 90 1.662 6.161 -7.252 1.00 0.00 N ATOM 1421 CA LEU A 90 2.884 6.918 -7.014 1.00 0.00 C ATOM 1422 C LEU A 90 3.947 6.044 -6.365 1.00 0.00 C ATOM 1423 O LEU A 90 3.650 4.977 -5.829 1.00 0.00 O ATOM 1424 CB LEU A 90 2.584 8.125 -6.121 1.00 0.00 C ATOM 1425 CG LEU A 90 3.608 9.260 -6.178 1.00 0.00 C ATOM 1426 CD1 LEU A 90 3.619 9.900 -7.559 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.314 10.299 -5.106 1.00 0.00 C ATOM 0 H LEU A 90 1.399 5.533 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 90 3.265 7.265 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.609 8.525 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.507 7.781 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 90 4.597 8.842 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.353 10.705 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.880 9.150 -8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.631 10.304 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.053 11.099 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.318 10.713 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.360 9.831 -4.123 1.00 0.00 H new ATOM 1439 N ARG A 91 5.189 6.500 -6.422 1.00 0.00 N ATOM 1440 CA ARG A 91 6.299 5.761 -5.844 1.00 0.00 C ATOM 1441 C ARG A 91 6.248 5.791 -4.316 1.00 0.00 C ATOM 1442 O ARG A 91 6.499 6.826 -3.697 1.00 0.00 O ATOM 1443 CB ARG A 91 7.625 6.343 -6.337 1.00 0.00 C ATOM 1444 CG ARG A 91 7.938 6.011 -7.786 1.00 0.00 C ATOM 1445 CD ARG A 91 9.154 6.779 -8.279 1.00 0.00 C ATOM 1446 NE ARG A 91 9.102 7.029 -9.717 1.00 0.00 N ATOM 1447 CZ ARG A 91 8.410 8.020 -10.274 1.00 0.00 C ATOM 1448 NH1 ARG A 91 7.701 8.851 -9.520 1.00 0.00 N ATOM 1449 NH2 ARG A 91 8.424 8.180 -11.591 1.00 0.00 N ATOM 0 H ARG A 91 5.453 7.381 -6.864 1.00 0.00 H new ATOM 0 HA ARG A 91 6.219 4.722 -6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.602 7.426 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.432 5.970 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.117 4.940 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.077 6.250 -8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.221 7.729 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.057 6.217 -8.042 1.00 0.00 H new ATOM 0 HE ARG A 91 9.627 6.407 -10.331 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.684 8.732 -8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.173 9.608 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.965 7.544 -12.176 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.894 8.939 -12.018 1.00 0.00 H new ATOM 1463 N LEU A 92 5.927 4.643 -3.716 1.00 0.00 N ATOM 1464 CA LEU A 92 5.848 4.518 -2.255 1.00 0.00 C ATOM 1465 C LEU A 92 7.033 5.218 -1.581 1.00 0.00 C ATOM 1466 O LEU A 92 8.118 4.653 -1.473 1.00 0.00 O ATOM 1467 CB LEU A 92 5.804 3.035 -1.866 1.00 0.00 C ATOM 1468 CG LEU A 92 4.401 2.402 -1.744 1.00 0.00 C ATOM 1469 CD1 LEU A 92 3.304 3.307 -2.290 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.356 1.049 -2.431 1.00 0.00 C ATOM 0 H LEU A 92 5.716 3.782 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 92 4.935 5.004 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.371 2.470 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.317 2.916 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 92 4.211 2.267 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.338 2.815 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.298 4.246 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.490 3.509 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.358 0.623 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.595 1.169 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.083 0.382 -1.968 1.00 0.00 H new ATOM 1482 N ALA A 93 6.819 6.466 -1.153 1.00 0.00 N ATOM 1483 CA ALA A 93 7.876 7.261 -0.521 1.00 0.00 C ATOM 1484 C ALA A 93 7.891 7.131 1.004 1.00 0.00 C ATOM 1485 O ALA A 93 8.694 6.383 1.560 1.00 0.00 O ATOM 1486 CB ALA A 93 7.734 8.722 -0.924 1.00 0.00 C ATOM 0 H ALA A 93 5.923 6.947 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 93 8.828 6.867 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.522 9.308 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.816 8.810 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.762 9.095 -0.602 1.00 0.00 H new ATOM 1492 N ALA A 94 7.015 7.877 1.679 1.00 0.00 N ATOM 1493 CA ALA A 94 6.950 7.851 3.142 1.00 0.00 C ATOM 1494 C ALA A 94 5.828 6.942 3.645 1.00 0.00 C ATOM 1495 O ALA A 94 5.062 6.400 2.858 1.00 0.00 O ATOM 1496 CB ALA A 94 6.768 9.264 3.681 1.00 0.00 C ATOM 0 H ALA A 94 6.343 8.505 1.238 1.00 0.00 H new ATOM 0 HA ALA A 94 7.891 7.443 3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.721 9.235 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.610 9.883 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.843 9.687 3.289 1.00 0.00 H new ATOM 1502 N PRO A 95 5.724 6.758 4.975 1.00 0.00 N ATOM 1503 CA PRO A 95 4.697 5.908 5.582 1.00 0.00 C ATOM 1504 C PRO A 95 3.371 6.634 5.787 1.00 0.00 C ATOM 1505 O PRO A 95 3.309 7.862 5.743 1.00 0.00 O ATOM 1506 CB PRO A 95 5.311 5.560 6.934 1.00 0.00 C ATOM 1507 CG PRO A 95 6.122 6.759 7.294 1.00 0.00 C ATOM 1508 CD PRO A 95 6.608 7.358 5.995 1.00 0.00 C ATOM 0 HA PRO A 95 4.454 5.051 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.542 5.362 7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.931 4.666 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.523 7.479 7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.962 6.482 7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.530 8.445 6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.654 7.115 5.810 1.00 0.00 H new ATOM 1516 N CYS A 96 2.314 5.861 6.023 1.00 0.00 N ATOM 1517 CA CYS A 96 0.987 6.425 6.252 1.00 0.00 C ATOM 1518 C CYS A 96 0.861 6.930 7.686 1.00 0.00 C ATOM 1519 O CYS A 96 0.569 6.159 8.601 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.093 5.374 5.971 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.762 5.871 6.460 1.00 0.00 S ATOM 0 H CYS A 96 2.351 4.842 6.061 1.00 0.00 H new ATOM 0 HA CYS A 96 0.849 7.265 5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -0.092 5.146 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.167 4.454 6.494 1.00 0.00 H new ATOM 0 HG CYS A 96 -2.599 4.917 6.179 1.00 0.00 H new ATOM 1527 N ARG A 97 1.079 8.227 7.877 1.00 0.00 N ATOM 1528 CA ARG A 97 0.986 8.828 9.204 1.00 0.00 C ATOM 1529 C ARG A 97 -0.405 8.627 9.796 1.00 0.00 C ATOM 1530 O ARG A 97 -1.413 8.769 9.103 1.00 0.00 O ATOM 1531 CB ARG A 97 1.313 10.320 9.135 1.00 0.00 C ATOM 1532 CG ARG A 97 2.804 10.614 9.094 1.00 0.00 C ATOM 1533 CD ARG A 97 3.108 12.018 9.590 1.00 0.00 C ATOM 1534 NE ARG A 97 4.428 12.103 10.212 1.00 0.00 N ATOM 1535 CZ ARG A 97 5.089 13.244 10.394 1.00 0.00 C ATOM 1536 NH1 ARG A 97 4.557 14.398 10.008 1.00 0.00 N ATOM 1537 NH2 ARG A 97 6.286 13.232 10.966 1.00 0.00 N ATOM 0 H ARG A 97 1.321 8.881 7.133 1.00 0.00 H new ATOM 0 HA ARG A 97 1.711 8.334 9.851 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.842 10.746 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.876 10.820 10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.336 9.887 9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.171 10.500 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.054 12.717 8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.348 12.321 10.310 1.00 0.00 H new ATOM 0 HE ARG A 97 4.868 11.238 10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.636 14.414 9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.069 15.269 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.699 12.349 11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.793 14.106 11.106 1.00 0.00 H new