USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 53 SER OG : rot -120:sc= 0.0412 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 103 THR OG1 : rot -159:sc= 0.0432 USER MOD Set 2.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 65 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-0.14) USER MOD Set 4.1: A 32 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 4.2: A 107 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.71) USER MOD Set 5.1: A 21 SER OG : rot 180:sc=-0.000884 USER MOD Set 5.2: A 22 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.335 K(o=-0.33,f=-1.3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0735 USER MOD Single : A 25 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.6!) USER MOD Single : A 29 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.034) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.287) USER MOD Single : A 37 MET CE :methyl 180:sc= -0.518 (180deg=-0.518) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 1.2 (180deg=1.02) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 71 ASN : amide:sc= -2.13! C(o=-2.1!,f=-6!) USER MOD Single : A 74 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.5) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -59:sc= -2.7! USER MOD Single : A 86 SER OG : rot -46:sc= 0.327 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.573 K(o=-0.57,f=-0.013) USER MOD Single : A 95 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.5!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 97 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.13) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 15:sc= 0.408 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 2.010 -11.739 -8.411 1.00 0.00 N ATOM 67 CA LEU A 8 2.147 -10.381 -7.896 1.00 0.00 C ATOM 68 C LEU A 8 3.288 -9.647 -8.594 1.00 0.00 C ATOM 69 O LEU A 8 3.194 -8.449 -8.864 1.00 0.00 O ATOM 70 CB LEU A 8 2.392 -10.410 -6.386 1.00 0.00 C ATOM 71 CG LEU A 8 1.143 -10.436 -5.504 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.522 -10.670 -4.050 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.360 -9.139 -5.651 1.00 0.00 C ATOM 0 HA LEU A 8 1.219 -9.846 -8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.995 -11.287 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.984 -9.535 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 8 0.508 -11.260 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.621 -10.685 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.040 -11.625 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.177 -9.868 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.526 -9.175 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.987 -8.299 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.057 -9.013 -6.690 1.00 0.00 H new ATOM 85 N ASP A 9 4.361 -10.372 -8.884 1.00 0.00 N ATOM 86 CA ASP A 9 5.520 -9.791 -9.554 1.00 0.00 C ATOM 87 C ASP A 9 5.088 -8.950 -10.750 1.00 0.00 C ATOM 88 O ASP A 9 5.509 -7.802 -10.898 1.00 0.00 O ATOM 89 CB ASP A 9 6.479 -10.892 -10.008 1.00 0.00 C ATOM 90 CG ASP A 9 7.774 -10.337 -10.566 1.00 0.00 C ATOM 91 OD1 ASP A 9 8.423 -9.531 -9.866 1.00 0.00 O ATOM 92 OD2 ASP A 9 8.140 -10.708 -11.701 1.00 0.00 O ATOM 0 H ASP A 9 4.454 -11.364 -8.666 1.00 0.00 H new ATOM 0 HA ASP A 9 6.034 -9.144 -8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.701 -11.547 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.992 -11.504 -10.767 1.00 0.00 H new ATOM 97 N ASP A 10 4.248 -9.526 -11.602 1.00 0.00 N ATOM 98 CA ASP A 10 3.761 -8.830 -12.787 1.00 0.00 C ATOM 99 C ASP A 10 3.482 -7.362 -12.477 1.00 0.00 C ATOM 100 O ASP A 10 4.094 -6.468 -13.061 1.00 0.00 O ATOM 101 CB ASP A 10 2.491 -9.502 -13.314 1.00 0.00 C ATOM 102 CG ASP A 10 2.643 -11.005 -13.442 1.00 0.00 C ATOM 103 OD1 ASP A 10 2.595 -11.697 -12.404 1.00 0.00 O ATOM 104 OD2 ASP A 10 2.809 -11.489 -14.581 1.00 0.00 O ATOM 0 H ASP A 10 3.889 -10.475 -11.494 1.00 0.00 H new ATOM 0 HA ASP A 10 4.535 -8.882 -13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.661 -9.279 -12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.237 -9.081 -14.287 1.00 0.00 H new ATOM 109 N TYR A 11 2.555 -7.122 -11.558 1.00 0.00 N ATOM 110 CA TYR A 11 2.193 -5.764 -11.173 1.00 0.00 C ATOM 111 C TYR A 11 3.437 -4.899 -10.991 1.00 0.00 C ATOM 112 O TYR A 11 4.559 -5.405 -10.955 1.00 0.00 O ATOM 113 CB TYR A 11 1.375 -5.777 -9.881 1.00 0.00 C ATOM 114 CG TYR A 11 0.117 -6.613 -9.968 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.838 -6.366 -10.947 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.114 -7.651 -9.073 1.00 0.00 C ATOM 117 CE1 TYR A 11 -1.987 -7.127 -11.029 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.260 -8.417 -9.150 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.194 -8.151 -10.130 1.00 0.00 C ATOM 120 OH TYR A 11 -3.338 -8.912 -10.209 1.00 0.00 O ATOM 0 H TYR A 11 2.040 -7.851 -11.065 1.00 0.00 H new ATOM 0 HA TYR A 11 1.589 -5.337 -11.973 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.998 -6.156 -9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.104 -4.753 -9.622 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.679 -5.566 -11.655 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.615 -7.862 -8.305 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.721 -6.921 -11.794 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.424 -9.220 -8.447 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.328 -9.592 -9.503 1.00 0.00 H new ATOM 130 N ASP A 12 3.230 -3.591 -10.878 1.00 0.00 N ATOM 131 CA ASP A 12 4.333 -2.655 -10.699 1.00 0.00 C ATOM 132 C ASP A 12 4.468 -2.250 -9.234 1.00 0.00 C ATOM 133 O ASP A 12 5.509 -2.466 -8.614 1.00 0.00 O ATOM 134 CB ASP A 12 4.122 -1.414 -11.567 1.00 0.00 C ATOM 135 CG ASP A 12 4.550 -1.634 -13.005 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.759 -1.508 -13.291 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.675 -1.934 -13.844 1.00 0.00 O ATOM 0 H ASP A 12 2.308 -3.156 -10.907 1.00 0.00 H new ATOM 0 HA ASP A 12 5.253 -3.151 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.069 -1.132 -11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.685 -0.580 -11.147 1.00 0.00 H new ATOM 142 N TRP A 13 3.411 -1.660 -8.689 1.00 0.00 N ATOM 143 CA TRP A 13 3.413 -1.222 -7.298 1.00 0.00 C ATOM 144 C TRP A 13 4.042 -2.278 -6.396 1.00 0.00 C ATOM 145 O TRP A 13 4.746 -1.952 -5.439 1.00 0.00 O ATOM 146 CB TRP A 13 1.986 -0.922 -6.834 1.00 0.00 C ATOM 147 CG TRP A 13 0.970 -1.880 -7.380 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.202 -1.712 -8.495 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.613 -3.154 -6.832 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.613 -2.804 -8.674 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.379 -3.703 -7.668 1.00 0.00 C ATOM 152 CE3 TRP A 13 1.035 -3.884 -5.717 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -0.954 -4.947 -7.422 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.464 -5.119 -5.475 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.521 -5.641 -6.324 1.00 0.00 C ATOM 0 H TRP A 13 2.542 -1.474 -9.189 1.00 0.00 H new ATOM 0 HA TRP A 13 4.009 -0.312 -7.231 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.952 -0.950 -5.745 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.719 0.091 -7.136 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.230 -0.848 -9.142 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.283 -2.925 -9.433 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.793 -3.490 -5.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.715 -5.350 -8.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.782 -5.692 -4.617 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.947 -6.610 -6.108 1.00 0.00 H new ATOM 166 N PHE A 14 3.785 -3.544 -6.707 1.00 0.00 N ATOM 167 CA PHE A 14 4.327 -4.649 -5.923 1.00 0.00 C ATOM 168 C PHE A 14 5.851 -4.587 -5.878 1.00 0.00 C ATOM 169 O PHE A 14 6.527 -4.984 -6.826 1.00 0.00 O ATOM 170 CB PHE A 14 3.877 -5.987 -6.511 1.00 0.00 C ATOM 171 CG PHE A 14 4.239 -7.170 -5.657 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.662 -7.342 -4.409 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.155 -8.108 -6.102 1.00 0.00 C ATOM 174 CE1 PHE A 14 3.992 -8.427 -3.621 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.490 -9.195 -5.319 1.00 0.00 C ATOM 176 CZ PHE A 14 4.907 -9.355 -4.075 1.00 0.00 C ATOM 0 H PHE A 14 3.205 -3.831 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 14 3.947 -4.561 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.796 -5.968 -6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.325 -6.110 -7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.946 -6.619 -4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.613 -7.988 -7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.534 -8.549 -2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.206 -9.919 -5.678 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.167 -10.204 -3.460 1.00 0.00 H new ATOM 186 N ALA A 15 6.383 -4.086 -4.768 1.00 0.00 N ATOM 187 CA ALA A 15 7.827 -3.973 -4.596 1.00 0.00 C ATOM 188 C ALA A 15 8.448 -5.326 -4.272 1.00 0.00 C ATOM 189 O ALA A 15 9.495 -5.685 -4.810 1.00 0.00 O ATOM 190 CB ALA A 15 8.151 -2.965 -3.504 1.00 0.00 C ATOM 0 H ALA A 15 5.836 -3.752 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 15 8.254 -3.623 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.232 -2.891 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.748 -1.990 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.705 -3.291 -2.564 1.00 0.00 H new ATOM 196 N GLY A 16 7.797 -6.075 -3.387 1.00 0.00 N ATOM 197 CA GLY A 16 8.301 -7.380 -3.005 1.00 0.00 C ATOM 198 C GLY A 16 9.051 -7.350 -1.688 1.00 0.00 C ATOM 199 O GLY A 16 8.490 -6.985 -0.656 1.00 0.00 O ATOM 0 H GLY A 16 6.929 -5.800 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.469 -8.080 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.962 -7.754 -3.787 1.00 0.00 H new ATOM 203 N ASN A 17 10.322 -7.736 -1.723 1.00 0.00 N ATOM 204 CA ASN A 17 11.150 -7.753 -0.522 1.00 0.00 C ATOM 205 C ASN A 17 11.953 -6.463 -0.396 1.00 0.00 C ATOM 206 O ASN A 17 12.887 -6.224 -1.162 1.00 0.00 O ATOM 207 CB ASN A 17 12.095 -8.956 -0.546 1.00 0.00 C ATOM 208 CG ASN A 17 12.844 -9.076 -1.859 1.00 0.00 C ATOM 209 OD1 ASN A 17 12.300 -9.552 -2.856 1.00 0.00 O ATOM 210 ND2 ASN A 17 14.099 -8.644 -1.866 1.00 0.00 N ATOM 0 H ASN A 17 10.801 -8.041 -2.570 1.00 0.00 H new ATOM 0 HA ASN A 17 10.491 -7.835 0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.811 -8.868 0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.523 -9.868 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.653 -8.699 -2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 17 14.510 -8.257 -1.017 1.00 0.00 H new ATOM 217 N ILE A 18 11.583 -5.634 0.575 1.00 0.00 N ATOM 218 CA ILE A 18 12.270 -4.369 0.802 1.00 0.00 C ATOM 219 C ILE A 18 12.690 -4.226 2.261 1.00 0.00 C ATOM 220 O ILE A 18 12.308 -5.032 3.109 1.00 0.00 O ATOM 221 CB ILE A 18 11.385 -3.170 0.414 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.072 -3.204 1.197 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.117 -3.173 -1.083 1.00 0.00 C ATOM 224 CD1 ILE A 18 9.074 -2.159 0.748 1.00 0.00 C ATOM 0 H ILE A 18 10.811 -5.816 1.217 1.00 0.00 H new ATOM 0 HA ILE A 18 13.158 -4.374 0.170 1.00 0.00 H new ATOM 0 HB ILE A 18 11.912 -2.250 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.623 -4.192 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.286 -3.059 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.490 -2.320 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.062 -3.106 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.606 -4.095 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.167 -2.241 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.504 -1.166 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.831 -2.316 -0.303 1.00 0.00 H new ATOM 236 N SER A 19 13.477 -3.193 2.546 1.00 0.00 N ATOM 237 CA SER A 19 13.951 -2.944 3.902 1.00 0.00 C ATOM 238 C SER A 19 13.214 -1.764 4.527 1.00 0.00 C ATOM 239 O SER A 19 12.418 -1.096 3.868 1.00 0.00 O ATOM 240 CB SER A 19 15.457 -2.677 3.899 1.00 0.00 C ATOM 241 OG SER A 19 16.170 -3.782 3.373 1.00 0.00 O ATOM 0 H SER A 19 13.800 -2.515 1.856 1.00 0.00 H new ATOM 0 HA SER A 19 13.749 -3.833 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.670 -1.787 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.795 -2.472 4.915 1.00 0.00 H new ATOM 0 HG SER A 19 17.130 -3.585 3.380 1.00 0.00 H new ATOM 247 N ARG A 20 13.486 -1.513 5.803 1.00 0.00 N ATOM 248 CA ARG A 20 12.848 -0.414 6.519 1.00 0.00 C ATOM 249 C ARG A 20 13.345 0.932 6.001 1.00 0.00 C ATOM 250 O ARG A 20 12.696 1.961 6.194 1.00 0.00 O ATOM 251 CB ARG A 20 13.122 -0.527 8.020 1.00 0.00 C ATOM 252 CG ARG A 20 12.556 -1.790 8.649 1.00 0.00 C ATOM 253 CD ARG A 20 12.989 -1.933 10.100 1.00 0.00 C ATOM 254 NE ARG A 20 14.283 -2.599 10.220 1.00 0.00 N ATOM 255 CZ ARG A 20 14.883 -2.835 11.382 1.00 0.00 C ATOM 256 NH1 ARG A 20 14.308 -2.459 12.516 1.00 0.00 N ATOM 257 NH2 ARG A 20 16.060 -3.447 11.412 1.00 0.00 N ATOM 0 H ARG A 20 14.144 -2.056 6.363 1.00 0.00 H new ATOM 0 HA ARG A 20 11.773 -0.477 6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.199 -0.499 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.698 0.341 8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.468 -1.769 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.887 -2.660 8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.044 -0.947 10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.237 -2.500 10.649 1.00 0.00 H new ATOM 0 HE ARG A 20 14.752 -2.899 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.404 -1.988 12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.770 -2.641 13.407 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.506 -3.737 10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.519 -3.627 12.305 1.00 0.00 H new ATOM 271 N SER A 21 14.500 0.918 5.344 1.00 0.00 N ATOM 272 CA SER A 21 15.086 2.139 4.801 1.00 0.00 C ATOM 273 C SER A 21 14.628 2.370 3.364 1.00 0.00 C ATOM 274 O SER A 21 14.394 3.506 2.952 1.00 0.00 O ATOM 275 CB SER A 21 16.614 2.064 4.856 1.00 0.00 C ATOM 276 OG SER A 21 17.096 0.946 4.131 1.00 0.00 O ATOM 0 H SER A 21 15.049 0.075 5.174 1.00 0.00 H new ATOM 0 HA SER A 21 14.748 2.977 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.041 2.979 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.941 1.997 5.894 1.00 0.00 H new ATOM 0 HG SER A 21 18.074 0.921 4.180 1.00 0.00 H new ATOM 282 N GLN A 22 14.502 1.284 2.608 1.00 0.00 N ATOM 283 CA GLN A 22 14.072 1.367 1.217 1.00 0.00 C ATOM 284 C GLN A 22 12.597 1.746 1.125 1.00 0.00 C ATOM 285 O GLN A 22 12.241 2.749 0.508 1.00 0.00 O ATOM 286 CB GLN A 22 14.316 0.037 0.505 1.00 0.00 C ATOM 287 CG GLN A 22 15.686 -0.064 -0.145 1.00 0.00 C ATOM 288 CD GLN A 22 16.815 0.229 0.823 1.00 0.00 C ATOM 289 OE1 GLN A 22 17.051 -0.527 1.766 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.520 1.331 0.595 1.00 0.00 N ATOM 0 H GLN A 22 14.691 0.337 2.935 1.00 0.00 H new ATOM 0 HA GLN A 22 14.659 2.144 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.203 -0.776 1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.550 -0.103 -0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.816 -1.065 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.739 0.633 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.290 1.929 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.292 1.580 1.214 1.00 0.00 H new ATOM 299 N SER A 23 11.744 0.934 1.742 1.00 0.00 N ATOM 300 CA SER A 23 10.306 1.181 1.726 1.00 0.00 C ATOM 301 C SER A 23 10.012 2.677 1.759 1.00 0.00 C ATOM 302 O SER A 23 9.140 3.164 1.040 1.00 0.00 O ATOM 303 CB SER A 23 9.637 0.491 2.916 1.00 0.00 C ATOM 304 OG SER A 23 9.987 1.121 4.135 1.00 0.00 O ATOM 0 H SER A 23 12.023 0.100 2.259 1.00 0.00 H new ATOM 0 HA SER A 23 9.901 0.770 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.554 0.512 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.934 -0.557 2.947 1.00 0.00 H new ATOM 0 HG SER A 23 9.545 0.662 4.879 1.00 0.00 H new ATOM 310 N GLU A 24 10.747 3.400 2.599 1.00 0.00 N ATOM 311 CA GLU A 24 10.563 4.841 2.726 1.00 0.00 C ATOM 312 C GLU A 24 11.363 5.588 1.663 1.00 0.00 C ATOM 313 O GLU A 24 10.811 6.379 0.898 1.00 0.00 O ATOM 314 CB GLU A 24 10.985 5.310 4.121 1.00 0.00 C ATOM 315 CG GLU A 24 9.992 4.946 5.212 1.00 0.00 C ATOM 316 CD GLU A 24 10.330 5.585 6.544 1.00 0.00 C ATOM 317 OE1 GLU A 24 11.478 5.421 7.007 1.00 0.00 O ATOM 318 OE2 GLU A 24 9.446 6.251 7.125 1.00 0.00 O ATOM 0 H GLU A 24 11.474 3.012 3.200 1.00 0.00 H new ATOM 0 HA GLU A 24 9.505 5.061 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.954 4.875 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.116 6.392 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.993 5.257 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.967 3.863 5.329 1.00 0.00 H new ATOM 325 N GLN A 25 12.667 5.331 1.623 1.00 0.00 N ATOM 326 CA GLN A 25 13.543 5.979 0.654 1.00 0.00 C ATOM 327 C GLN A 25 12.881 6.048 -0.719 1.00 0.00 C ATOM 328 O GLN A 25 12.580 7.132 -1.220 1.00 0.00 O ATOM 329 CB GLN A 25 14.872 5.229 0.556 1.00 0.00 C ATOM 330 CG GLN A 25 15.803 5.484 1.730 1.00 0.00 C ATOM 331 CD GLN A 25 16.666 6.715 1.534 1.00 0.00 C ATOM 332 OE1 GLN A 25 16.986 7.090 0.405 1.00 0.00 O ATOM 333 NE2 GLN A 25 17.048 7.353 2.634 1.00 0.00 N ATOM 0 H GLN A 25 13.139 4.679 2.250 1.00 0.00 H new ATOM 0 HA GLN A 25 13.732 6.996 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.672 4.160 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.376 5.519 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.212 5.600 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.444 4.615 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.760 7.008 3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.629 8.188 2.563 1.00 0.00 H new ATOM 342 N LEU A 26 12.658 4.885 -1.320 1.00 0.00 N ATOM 343 CA LEU A 26 12.032 4.812 -2.636 1.00 0.00 C ATOM 344 C LEU A 26 10.851 5.774 -2.731 1.00 0.00 C ATOM 345 O LEU A 26 10.854 6.701 -3.542 1.00 0.00 O ATOM 346 CB LEU A 26 11.566 3.384 -2.923 1.00 0.00 C ATOM 347 CG LEU A 26 12.651 2.399 -3.357 1.00 0.00 C ATOM 348 CD1 LEU A 26 13.351 1.807 -2.144 1.00 0.00 C ATOM 349 CD2 LEU A 26 12.056 1.298 -4.223 1.00 0.00 C ATOM 0 H LEU A 26 12.901 3.980 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 26 12.774 5.101 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.086 2.993 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.804 3.421 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 26 13.390 2.939 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.120 1.108 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.811 2.606 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.624 1.281 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.843 0.606 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.296 0.760 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.602 1.739 -5.111 1.00 0.00 H new ATOM 361 N LEU A 27 9.843 5.548 -1.896 1.00 0.00 N ATOM 362 CA LEU A 27 8.655 6.395 -1.883 1.00 0.00 C ATOM 363 C LEU A 27 9.033 7.864 -2.039 1.00 0.00 C ATOM 364 O LEU A 27 8.490 8.569 -2.890 1.00 0.00 O ATOM 365 CB LEU A 27 7.874 6.192 -0.584 1.00 0.00 C ATOM 366 CG LEU A 27 6.994 4.943 -0.517 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.721 4.558 0.928 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.689 5.171 -1.267 1.00 0.00 C ATOM 0 H LEU A 27 9.824 4.785 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 27 8.026 6.109 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.585 6.156 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.243 7.066 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 27 7.526 4.120 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.093 3.667 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.664 4.353 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.209 5.378 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.075 4.273 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.153 6.007 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.904 5.397 -2.311 1.00 0.00 H new ATOM 380 N ARG A 28 9.969 8.320 -1.212 1.00 0.00 N ATOM 381 CA ARG A 28 10.420 9.706 -1.258 1.00 0.00 C ATOM 382 C ARG A 28 11.048 10.028 -2.612 1.00 0.00 C ATOM 383 O ARG A 28 10.714 11.032 -3.238 1.00 0.00 O ATOM 384 CB ARG A 28 11.428 9.974 -0.140 1.00 0.00 C ATOM 385 CG ARG A 28 10.798 10.054 1.241 1.00 0.00 C ATOM 386 CD ARG A 28 11.826 9.828 2.338 1.00 0.00 C ATOM 387 NE ARG A 28 12.641 11.017 2.578 1.00 0.00 N ATOM 388 CZ ARG A 28 12.160 12.148 3.081 1.00 0.00 C ATOM 389 NH1 ARG A 28 10.875 12.243 3.396 1.00 0.00 N ATOM 390 NH2 ARG A 28 12.963 13.187 3.271 1.00 0.00 N ATOM 0 H ARG A 28 10.429 7.750 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 28 9.552 10.350 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.179 9.184 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.948 10.909 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.332 11.031 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.006 9.309 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.317 9.546 3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.473 8.995 2.063 1.00 0.00 H new ATOM 0 HE ARG A 28 13.634 10.976 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.254 11.446 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.508 13.113 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.952 13.118 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.591 14.055 3.657 1.00 0.00 H new ATOM 404 N GLN A 29 11.961 9.168 -3.054 1.00 0.00 N ATOM 405 CA GLN A 29 12.637 9.363 -4.332 1.00 0.00 C ATOM 406 C GLN A 29 11.642 9.749 -5.421 1.00 0.00 C ATOM 407 O GLN A 29 11.849 10.719 -6.149 1.00 0.00 O ATOM 408 CB GLN A 29 13.385 8.091 -4.735 1.00 0.00 C ATOM 409 CG GLN A 29 14.790 8.003 -4.160 1.00 0.00 C ATOM 410 CD GLN A 29 15.763 8.940 -4.849 1.00 0.00 C ATOM 411 OE1 GLN A 29 16.079 10.012 -4.333 1.00 0.00 O ATOM 412 NE2 GLN A 29 16.242 8.539 -6.020 1.00 0.00 N ATOM 0 H GLN A 29 12.249 8.331 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 29 13.353 10.176 -4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.812 7.223 -4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.443 8.043 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.758 8.237 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.152 6.979 -4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.952 7.642 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.900 9.128 -6.530 1.00 0.00 H new ATOM 421 N LYS A 30 10.562 8.983 -5.526 1.00 0.00 N ATOM 422 CA LYS A 30 9.532 9.244 -6.526 1.00 0.00 C ATOM 423 C LYS A 30 9.350 10.743 -6.741 1.00 0.00 C ATOM 424 O LYS A 30 9.614 11.261 -7.825 1.00 0.00 O ATOM 425 CB LYS A 30 8.204 8.615 -6.097 1.00 0.00 C ATOM 426 CG LYS A 30 7.318 8.212 -7.262 1.00 0.00 C ATOM 427 CD LYS A 30 7.843 6.967 -7.958 1.00 0.00 C ATOM 428 CE LYS A 30 6.923 6.528 -9.087 1.00 0.00 C ATOM 429 NZ LYS A 30 7.219 7.250 -10.355 1.00 0.00 N ATOM 0 H LYS A 30 10.376 8.176 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 30 9.852 8.796 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.409 7.736 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.663 9.322 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.305 8.030 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.260 9.033 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.839 7.164 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.942 6.159 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.030 5.455 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.886 6.706 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.409 7.164 -11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.393 8.255 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.063 6.837 -10.801 1.00 0.00 H new ATOM 443 N GLY A 31 8.900 11.435 -5.698 1.00 0.00 N ATOM 444 CA GLY A 31 8.692 12.869 -5.794 1.00 0.00 C ATOM 445 C GLY A 31 7.242 13.229 -6.044 1.00 0.00 C ATOM 446 O GLY A 31 6.941 14.313 -6.545 1.00 0.00 O ATOM 0 H GLY A 31 8.676 11.029 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.027 13.344 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.307 13.269 -6.600 1.00 0.00 H new ATOM 450 N LYS A 32 6.340 12.318 -5.697 1.00 0.00 N ATOM 451 CA LYS A 32 4.912 12.544 -5.887 1.00 0.00 C ATOM 452 C LYS A 32 4.128 12.156 -4.637 1.00 0.00 C ATOM 453 O LYS A 32 4.268 11.045 -4.127 1.00 0.00 O ATOM 454 CB LYS A 32 4.403 11.746 -7.089 1.00 0.00 C ATOM 455 CG LYS A 32 5.154 10.445 -7.316 1.00 0.00 C ATOM 456 CD LYS A 32 4.519 9.621 -8.425 1.00 0.00 C ATOM 457 CE LYS A 32 4.924 10.131 -9.799 1.00 0.00 C ATOM 458 NZ LYS A 32 4.078 9.549 -10.878 1.00 0.00 N ATOM 0 H LYS A 32 6.572 11.416 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 32 4.760 13.607 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.345 11.525 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.482 12.363 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.191 10.662 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.167 9.866 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.817 8.578 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.434 9.654 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.844 11.218 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.969 9.884 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.604 9.558 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.828 8.570 -10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.210 10.112 -10.980 1.00 0.00 H new ATOM 472 N GLU A 33 3.304 13.078 -4.149 1.00 0.00 N ATOM 473 CA GLU A 33 2.499 12.829 -2.960 1.00 0.00 C ATOM 474 C GLU A 33 1.365 11.855 -3.264 1.00 0.00 C ATOM 475 O GLU A 33 0.418 12.189 -3.976 1.00 0.00 O ATOM 476 CB GLU A 33 1.926 14.142 -2.421 1.00 0.00 C ATOM 477 CG GLU A 33 2.930 14.965 -1.631 1.00 0.00 C ATOM 478 CD GLU A 33 3.780 15.855 -2.516 1.00 0.00 C ATOM 479 OE1 GLU A 33 3.286 16.275 -3.583 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.939 16.133 -2.141 1.00 0.00 O ATOM 0 H GLU A 33 3.177 14.003 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 33 3.144 12.384 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.557 14.738 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.069 13.921 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.398 15.581 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.578 14.295 -1.066 1.00 0.00 H new ATOM 487 N GLY A 34 1.468 10.646 -2.720 1.00 0.00 N ATOM 488 CA GLY A 34 0.446 9.640 -2.944 1.00 0.00 C ATOM 489 C GLY A 34 1.031 8.297 -3.332 1.00 0.00 C ATOM 490 O GLY A 34 0.371 7.266 -3.203 1.00 0.00 O ATOM 0 H GLY A 34 2.242 10.345 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.151 9.525 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.228 9.980 -3.730 1.00 0.00 H new ATOM 494 N ALA A 35 2.270 8.308 -3.811 1.00 0.00 N ATOM 495 CA ALA A 35 2.943 7.081 -4.219 1.00 0.00 C ATOM 496 C ALA A 35 2.705 5.963 -3.210 1.00 0.00 C ATOM 497 O ALA A 35 2.768 6.182 -1.999 1.00 0.00 O ATOM 498 CB ALA A 35 4.433 7.330 -4.393 1.00 0.00 C ATOM 0 H ALA A 35 2.829 9.154 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 35 2.525 6.766 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.923 6.405 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.588 8.092 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.857 7.672 -3.449 1.00 0.00 H new ATOM 504 N PHE A 36 2.431 4.765 -3.715 1.00 0.00 N ATOM 505 CA PHE A 36 2.182 3.612 -2.856 1.00 0.00 C ATOM 506 C PHE A 36 3.023 2.417 -3.293 1.00 0.00 C ATOM 507 O PHE A 36 3.531 2.379 -4.413 1.00 0.00 O ATOM 508 CB PHE A 36 0.697 3.242 -2.882 1.00 0.00 C ATOM 509 CG PHE A 36 0.316 2.370 -4.044 1.00 0.00 C ATOM 510 CD1 PHE A 36 0.117 2.918 -5.301 1.00 0.00 C ATOM 511 CD2 PHE A 36 0.159 1.004 -3.881 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.235 2.118 -6.373 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.191 0.199 -4.948 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.387 0.757 -6.196 1.00 0.00 C ATOM 0 H PHE A 36 2.376 4.567 -4.714 1.00 0.00 H new ATOM 0 HA PHE A 36 2.465 3.880 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.442 2.729 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.104 4.156 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.238 3.981 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.312 0.562 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.391 2.557 -7.347 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.311 -0.865 -4.806 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.659 0.130 -7.032 1.00 0.00 H new ATOM 524 N MET A 37 3.166 1.444 -2.400 1.00 0.00 N ATOM 525 CA MET A 37 3.945 0.247 -2.693 1.00 0.00 C ATOM 526 C MET A 37 3.577 -0.888 -1.741 1.00 0.00 C ATOM 527 O MET A 37 3.107 -0.651 -0.628 1.00 0.00 O ATOM 528 CB MET A 37 5.441 0.548 -2.591 1.00 0.00 C ATOM 529 CG MET A 37 6.013 0.325 -1.200 1.00 0.00 C ATOM 530 SD MET A 37 7.560 1.212 -0.934 1.00 0.00 S ATOM 531 CE MET A 37 8.519 0.649 -2.338 1.00 0.00 C ATOM 0 H MET A 37 2.753 1.461 -1.468 1.00 0.00 H new ATOM 0 HA MET A 37 3.713 -0.066 -3.711 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.979 -0.080 -3.301 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.616 1.583 -2.885 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.283 0.644 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.179 -0.741 -1.046 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.506 1.112 -2.314 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.625 -0.435 -2.295 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.010 0.927 -3.261 1.00 0.00 H new ATOM 541 N VAL A 38 3.793 -2.122 -2.186 1.00 0.00 N ATOM 542 CA VAL A 38 3.486 -3.293 -1.374 1.00 0.00 C ATOM 543 C VAL A 38 4.716 -4.176 -1.196 1.00 0.00 C ATOM 544 O VAL A 38 5.459 -4.422 -2.145 1.00 0.00 O ATOM 545 CB VAL A 38 2.354 -4.128 -2.001 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.946 -5.259 -1.068 1.00 0.00 C ATOM 547 CG2 VAL A 38 1.161 -3.244 -2.333 1.00 0.00 C ATOM 0 H VAL A 38 4.180 -2.336 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 38 3.161 -2.927 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 38 2.721 -4.568 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.145 -5.839 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.803 -5.907 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.597 -4.843 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.371 -3.851 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.791 -2.775 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.465 -2.473 -3.041 1.00 0.00 H new ATOM 557 N ARG A 39 4.923 -4.652 0.028 1.00 0.00 N ATOM 558 CA ARG A 39 6.063 -5.507 0.332 1.00 0.00 C ATOM 559 C ARG A 39 5.608 -6.803 0.997 1.00 0.00 C ATOM 560 O ARG A 39 4.420 -7.001 1.246 1.00 0.00 O ATOM 561 CB ARG A 39 7.052 -4.774 1.242 1.00 0.00 C ATOM 562 CG ARG A 39 6.533 -4.557 2.654 1.00 0.00 C ATOM 563 CD ARG A 39 7.635 -4.072 3.583 1.00 0.00 C ATOM 564 NE ARG A 39 8.602 -5.124 3.881 1.00 0.00 N ATOM 565 CZ ARG A 39 9.764 -4.904 4.486 1.00 0.00 C ATOM 566 NH1 ARG A 39 10.101 -3.675 4.856 1.00 0.00 N ATOM 567 NH2 ARG A 39 10.592 -5.914 4.723 1.00 0.00 N ATOM 0 H ARG A 39 4.316 -4.460 0.825 1.00 0.00 H new ATOM 0 HA ARG A 39 6.559 -5.754 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.981 -5.343 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.292 -3.807 0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.723 -3.828 2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.116 -5.488 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.149 -3.227 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.193 -3.712 4.512 1.00 0.00 H new ATOM 0 HE ARG A 39 8.373 -6.080 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.467 -2.896 4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.994 -3.509 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.336 -6.860 4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.484 -5.744 5.188 1.00 0.00 H new ATOM 581 N ASN A 40 6.563 -7.683 1.282 1.00 0.00 N ATOM 582 CA ASN A 40 6.260 -8.960 1.918 1.00 0.00 C ATOM 583 C ASN A 40 6.957 -9.074 3.270 1.00 0.00 C ATOM 584 O ASN A 40 8.167 -8.869 3.375 1.00 0.00 O ATOM 585 CB ASN A 40 6.686 -10.118 1.013 1.00 0.00 C ATOM 586 CG ASN A 40 5.691 -10.376 -0.103 1.00 0.00 C ATOM 587 OD1 ASN A 40 4.794 -9.570 -0.349 1.00 0.00 O ATOM 588 ND2 ASN A 40 5.845 -11.506 -0.783 1.00 0.00 N ATOM 0 H ASN A 40 7.552 -7.535 1.083 1.00 0.00 H new ATOM 0 HA ASN A 40 5.183 -9.010 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.663 -9.898 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.798 -11.022 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.205 -11.735 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.603 -12.145 -0.545 1.00 0.00 H new ATOM 595 N SER A 41 6.187 -9.403 4.302 1.00 0.00 N ATOM 596 CA SER A 41 6.730 -9.542 5.648 1.00 0.00 C ATOM 597 C SER A 41 8.026 -10.346 5.631 1.00 0.00 C ATOM 598 O SER A 41 8.238 -11.183 4.753 1.00 0.00 O ATOM 599 CB SER A 41 5.708 -10.216 6.565 1.00 0.00 C ATOM 600 OG SER A 41 5.998 -9.958 7.928 1.00 0.00 O ATOM 0 H SER A 41 5.185 -9.578 4.232 1.00 0.00 H new ATOM 0 HA SER A 41 6.948 -8.545 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.708 -9.854 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.708 -11.291 6.387 1.00 0.00 H new ATOM 0 HG SER A 41 5.330 -10.398 8.494 1.00 0.00 H new ATOM 657 N MET A 46 2.211 -12.793 5.657 1.00 0.00 N ATOM 658 CA MET A 46 1.311 -11.649 5.569 1.00 0.00 C ATOM 659 C MET A 46 1.805 -10.646 4.531 1.00 0.00 C ATOM 660 O MET A 46 2.806 -10.883 3.853 1.00 0.00 O ATOM 661 CB MET A 46 1.184 -10.967 6.933 1.00 0.00 C ATOM 662 CG MET A 46 0.212 -11.663 7.872 1.00 0.00 C ATOM 663 SD MET A 46 -1.493 -11.125 7.630 1.00 0.00 S ATOM 664 CE MET A 46 -2.386 -12.487 8.375 1.00 0.00 C ATOM 0 HA MET A 46 0.331 -12.013 5.259 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.166 -10.928 7.404 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.860 -9.937 6.786 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.274 -12.741 7.720 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.507 -11.469 8.903 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.458 -12.302 8.304 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.142 -13.412 7.852 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.102 -12.578 9.423 1.00 0.00 H new ATOM 674 N TYR A 47 1.097 -9.529 4.411 1.00 0.00 N ATOM 675 CA TYR A 47 1.462 -8.492 3.453 1.00 0.00 C ATOM 676 C TYR A 47 1.470 -7.117 4.113 1.00 0.00 C ATOM 677 O TYR A 47 0.677 -6.844 5.017 1.00 0.00 O ATOM 678 CB TYR A 47 0.492 -8.497 2.270 1.00 0.00 C ATOM 679 CG TYR A 47 0.610 -9.725 1.396 1.00 0.00 C ATOM 680 CD1 TYR A 47 -0.033 -10.908 1.737 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.363 -9.702 0.229 1.00 0.00 C ATOM 682 CE1 TYR A 47 0.072 -12.033 0.942 1.00 0.00 C ATOM 683 CE2 TYR A 47 1.472 -10.822 -0.573 1.00 0.00 C ATOM 684 CZ TYR A 47 0.825 -11.984 -0.212 1.00 0.00 C ATOM 685 OH TYR A 47 0.931 -13.102 -1.008 1.00 0.00 O ATOM 0 H TYR A 47 0.267 -9.318 4.965 1.00 0.00 H new ATOM 0 HA TYR A 47 2.468 -8.706 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.528 -8.426 2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.669 -7.610 1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.625 -10.949 2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.872 -8.793 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.433 -12.946 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.061 -10.787 -1.478 1.00 0.00 H new ATOM 0 HH TYR A 47 1.496 -12.900 -1.783 1.00 0.00 H new ATOM 695 N THR A 48 2.370 -6.253 3.658 1.00 0.00 N ATOM 696 CA THR A 48 2.482 -4.905 4.203 1.00 0.00 C ATOM 697 C THR A 48 2.312 -3.855 3.113 1.00 0.00 C ATOM 698 O THR A 48 3.117 -3.771 2.186 1.00 0.00 O ATOM 699 CB THR A 48 3.841 -4.692 4.898 1.00 0.00 C ATOM 700 OG1 THR A 48 4.016 -5.660 5.939 1.00 0.00 O ATOM 701 CG2 THR A 48 3.936 -3.291 5.481 1.00 0.00 C ATOM 0 H THR A 48 3.034 -6.462 2.912 1.00 0.00 H new ATOM 0 HA THR A 48 1.684 -4.794 4.937 1.00 0.00 H new ATOM 0 HB THR A 48 4.628 -4.813 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.883 -5.519 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.904 -3.164 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.831 -2.557 4.682 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.141 -3.147 6.213 1.00 0.00 H new ATOM 709 N VAL A 49 1.259 -3.052 3.229 1.00 0.00 N ATOM 710 CA VAL A 49 0.983 -2.005 2.253 1.00 0.00 C ATOM 711 C VAL A 49 1.490 -0.652 2.742 1.00 0.00 C ATOM 712 O VAL A 49 0.814 0.038 3.504 1.00 0.00 O ATOM 713 CB VAL A 49 -0.524 -1.898 1.955 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.785 -0.835 0.898 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.077 -3.246 1.516 1.00 0.00 C ATOM 0 H VAL A 49 0.582 -3.107 3.990 1.00 0.00 H new ATOM 0 HA VAL A 49 1.508 -2.279 1.338 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.038 -1.601 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.855 -0.774 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.426 0.130 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.261 -1.099 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.143 -3.152 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.560 -3.575 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.924 -3.978 2.309 1.00 0.00 H new ATOM 725 N SER A 50 2.687 -0.279 2.297 1.00 0.00 N ATOM 726 CA SER A 50 3.286 0.990 2.691 1.00 0.00 C ATOM 727 C SER A 50 3.168 2.018 1.571 1.00 0.00 C ATOM 728 O SER A 50 3.463 1.725 0.410 1.00 0.00 O ATOM 729 CB SER A 50 4.757 0.789 3.062 1.00 0.00 C ATOM 730 OG SER A 50 4.906 -0.247 4.017 1.00 0.00 O ATOM 0 H SER A 50 3.260 -0.838 1.664 1.00 0.00 H new ATOM 0 HA SER A 50 2.746 1.364 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.331 0.548 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.164 1.718 3.462 1.00 0.00 H new ATOM 0 HG SER A 50 5.855 -0.356 4.236 1.00 0.00 H new ATOM 736 N LEU A 51 2.736 3.223 1.925 1.00 0.00 N ATOM 737 CA LEU A 51 2.578 4.296 0.950 1.00 0.00 C ATOM 738 C LEU A 51 2.946 5.646 1.560 1.00 0.00 C ATOM 739 O LEU A 51 2.973 5.798 2.782 1.00 0.00 O ATOM 740 CB LEU A 51 1.139 4.334 0.432 1.00 0.00 C ATOM 741 CG LEU A 51 0.124 5.054 1.320 1.00 0.00 C ATOM 742 CD1 LEU A 51 0.135 6.549 1.040 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.270 4.481 1.111 1.00 0.00 C ATOM 0 H LEU A 51 2.489 3.482 2.880 1.00 0.00 H new ATOM 0 HA LEU A 51 3.253 4.098 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.139 4.813 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.800 3.309 0.285 1.00 0.00 H new ATOM 0 HG LEU A 51 0.407 4.898 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.594 7.045 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.128 6.950 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.122 6.725 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.979 5.006 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.562 4.605 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.269 3.421 1.364 1.00 0.00 H new ATOM 755 N PHE A 52 3.226 6.620 0.703 1.00 0.00 N ATOM 756 CA PHE A 52 3.592 7.957 1.157 1.00 0.00 C ATOM 757 C PHE A 52 2.396 8.901 1.086 1.00 0.00 C ATOM 758 O PHE A 52 1.518 8.747 0.237 1.00 0.00 O ATOM 759 CB PHE A 52 4.743 8.509 0.313 1.00 0.00 C ATOM 760 CG PHE A 52 5.207 9.868 0.749 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.057 10.010 1.834 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.792 11.006 0.076 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.487 11.260 2.238 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.219 12.259 0.474 1.00 0.00 C ATOM 765 CZ PHE A 52 6.066 12.386 1.557 1.00 0.00 C ATOM 0 H PHE A 52 3.207 6.510 -0.311 1.00 0.00 H new ATOM 0 HA PHE A 52 3.915 7.885 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.582 7.815 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.428 8.559 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.388 9.133 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.127 10.913 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.151 11.356 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.891 13.138 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.399 13.364 1.871 1.00 0.00 H new ATOM 775 N SER A 53 2.368 9.880 1.985 1.00 0.00 N ATOM 776 CA SER A 53 1.278 10.848 2.028 1.00 0.00 C ATOM 777 C SER A 53 1.705 12.115 2.760 1.00 0.00 C ATOM 778 O SER A 53 2.333 12.054 3.819 1.00 0.00 O ATOM 779 CB SER A 53 0.053 10.237 2.713 1.00 0.00 C ATOM 780 OG SER A 53 -0.927 11.226 2.979 1.00 0.00 O ATOM 0 H SER A 53 3.088 10.024 2.693 1.00 0.00 H new ATOM 0 HA SER A 53 1.019 11.112 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.373 9.460 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.354 9.758 3.645 1.00 0.00 H new ATOM 0 HG SER A 53 -1.096 11.268 3.943 1.00 0.00 H new ATOM 786 N LYS A 54 1.362 13.266 2.190 1.00 0.00 N ATOM 787 CA LYS A 54 1.707 14.550 2.787 1.00 0.00 C ATOM 788 C LYS A 54 0.456 15.293 3.242 1.00 0.00 C ATOM 789 O LYS A 54 -0.384 15.672 2.425 1.00 0.00 O ATOM 790 CB LYS A 54 2.488 15.406 1.788 1.00 0.00 C ATOM 791 CG LYS A 54 3.357 16.465 2.444 1.00 0.00 C ATOM 792 CD LYS A 54 4.379 17.029 1.470 1.00 0.00 C ATOM 793 CE LYS A 54 5.512 16.046 1.220 1.00 0.00 C ATOM 794 NZ LYS A 54 6.459 16.543 0.184 1.00 0.00 N ATOM 0 H LYS A 54 0.844 13.335 1.314 1.00 0.00 H new ATOM 0 HA LYS A 54 2.332 14.361 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.118 14.756 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.785 15.892 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.728 17.272 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.871 16.034 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.890 17.269 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.784 17.960 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.052 15.870 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.099 15.088 0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.336 15.986 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.026 16.447 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.677 17.544 0.365 1.00 0.00 H new ATOM 904 N GLY A 61 6.712 15.472 5.059 1.00 0.00 N ATOM 905 CA GLY A 61 5.808 14.391 4.715 1.00 0.00 C ATOM 906 C GLY A 61 5.751 13.319 5.784 1.00 0.00 C ATOM 907 O GLY A 61 6.512 13.355 6.752 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.808 14.795 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.124 13.943 3.773 1.00 0.00 H new ATOM 911 N THR A 62 4.844 12.362 5.614 1.00 0.00 N ATOM 912 CA THR A 62 4.688 11.277 6.575 1.00 0.00 C ATOM 913 C THR A 62 4.339 9.968 5.875 1.00 0.00 C ATOM 914 O THR A 62 3.355 9.889 5.139 1.00 0.00 O ATOM 915 CB THR A 62 3.595 11.598 7.612 1.00 0.00 C ATOM 916 OG1 THR A 62 3.529 13.011 7.832 1.00 0.00 O ATOM 917 CG2 THR A 62 3.873 10.887 8.928 1.00 0.00 C ATOM 0 H THR A 62 4.206 12.316 4.819 1.00 0.00 H new ATOM 0 HA THR A 62 5.644 11.169 7.087 1.00 0.00 H new ATOM 0 HB THR A 62 2.640 11.247 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.831 13.207 8.491 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.088 11.129 9.645 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.894 9.810 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.836 11.213 9.321 1.00 0.00 H new ATOM 925 N VAL A 63 5.153 8.943 6.106 1.00 0.00 N ATOM 926 CA VAL A 63 4.929 7.636 5.499 1.00 0.00 C ATOM 927 C VAL A 63 4.030 6.771 6.374 1.00 0.00 C ATOM 928 O VAL A 63 4.333 6.521 7.542 1.00 0.00 O ATOM 929 CB VAL A 63 6.257 6.896 5.256 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.001 5.526 4.646 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.172 7.722 4.365 1.00 0.00 C ATOM 0 H VAL A 63 5.974 8.992 6.709 1.00 0.00 H new ATOM 0 HA VAL A 63 4.439 7.811 4.541 1.00 0.00 H new ATOM 0 HB VAL A 63 6.754 6.753 6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.951 5.018 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.386 4.935 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.482 5.643 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.106 7.184 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.684 7.898 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.382 8.677 4.846 1.00 0.00 H new ATOM 941 N LYS A 64 2.920 6.313 5.803 1.00 0.00 N ATOM 942 CA LYS A 64 1.976 5.472 6.529 1.00 0.00 C ATOM 943 C LYS A 64 2.181 4.000 6.185 1.00 0.00 C ATOM 944 O LYS A 64 2.560 3.663 5.063 1.00 0.00 O ATOM 945 CB LYS A 64 0.539 5.887 6.206 1.00 0.00 C ATOM 946 CG LYS A 64 0.041 7.055 7.040 1.00 0.00 C ATOM 947 CD LYS A 64 -1.015 7.858 6.300 1.00 0.00 C ATOM 948 CE LYS A 64 -1.360 9.141 7.040 1.00 0.00 C ATOM 949 NZ LYS A 64 -2.413 9.923 6.336 1.00 0.00 N ATOM 0 H LYS A 64 2.653 6.511 4.839 1.00 0.00 H new ATOM 0 HA LYS A 64 2.155 5.605 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.475 6.152 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.121 5.033 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.374 6.684 7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.879 7.703 7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.655 8.099 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.914 7.254 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.700 8.899 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.463 9.752 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.619 10.790 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.079 10.176 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.277 9.350 6.259 1.00 0.00 H new ATOM 963 N HIS A 65 1.926 3.129 7.155 1.00 0.00 N ATOM 964 CA HIS A 65 2.081 1.693 6.954 1.00 0.00 C ATOM 965 C HIS A 65 0.806 0.949 7.336 1.00 0.00 C ATOM 966 O HIS A 65 0.253 1.160 8.416 1.00 0.00 O ATOM 967 CB HIS A 65 3.259 1.165 7.773 1.00 0.00 C ATOM 968 CG HIS A 65 4.505 1.985 7.630 1.00 0.00 C ATOM 969 ND1 HIS A 65 5.645 1.521 7.009 1.00 0.00 N ATOM 970 CD2 HIS A 65 4.783 3.248 8.030 1.00 0.00 C ATOM 971 CE1 HIS A 65 6.571 2.461 7.035 1.00 0.00 C ATOM 972 NE2 HIS A 65 6.075 3.520 7.649 1.00 0.00 N ATOM 0 H HIS A 65 1.611 3.392 8.089 1.00 0.00 H new ATOM 0 HA HIS A 65 2.278 1.520 5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.974 1.133 8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.472 0.140 7.469 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.114 3.917 8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.566 2.378 6.624 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.570 4.397 7.813 1.00 0.00 H new ATOM 981 N TYR A 66 0.342 0.081 6.445 1.00 0.00 N ATOM 982 CA TYR A 66 -0.871 -0.692 6.689 1.00 0.00 C ATOM 983 C TYR A 66 -0.584 -2.189 6.628 1.00 0.00 C ATOM 984 O TYR A 66 0.153 -2.657 5.759 1.00 0.00 O ATOM 985 CB TYR A 66 -1.948 -0.324 5.667 1.00 0.00 C ATOM 986 CG TYR A 66 -2.344 1.134 5.703 1.00 0.00 C ATOM 987 CD1 TYR A 66 -3.196 1.618 6.689 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.869 2.028 4.751 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.562 2.950 6.726 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.229 3.361 4.781 1.00 0.00 C ATOM 991 CZ TYR A 66 -3.075 3.817 5.770 1.00 0.00 C ATOM 992 OH TYR A 66 -3.437 5.145 5.801 1.00 0.00 O ATOM 0 H TYR A 66 0.787 -0.106 5.546 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.231 -0.451 7.689 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.588 -0.569 4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.832 -0.936 5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.578 0.941 7.439 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.207 1.674 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.225 3.310 7.499 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.850 4.043 4.034 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.007 5.619 5.059 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.174 -2.936 7.556 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.984 -4.381 7.608 1.00 0.00 C ATOM 1004 C HIS A 67 -2.286 -5.111 7.289 1.00 0.00 C ATOM 1005 O HIS A 67 -3.284 -4.962 7.996 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.476 -4.800 8.987 1.00 0.00 C ATOM 1007 CG HIS A 67 0.634 -3.938 9.505 1.00 0.00 C ATOM 1008 ND1 HIS A 67 0.752 -3.576 10.830 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.681 -3.364 8.866 1.00 0.00 C ATOM 1010 CE1 HIS A 67 1.822 -2.818 10.983 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.404 -2.675 9.807 1.00 0.00 N ATOM 0 H HIS A 67 -1.787 -2.565 8.282 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.242 -4.653 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.305 -4.774 9.694 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.131 -5.833 8.939 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.905 -3.435 7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.163 -2.388 11.913 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.253 -2.139 9.627 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.269 -5.901 6.221 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.446 -6.655 5.808 1.00 0.00 C ATOM 1022 C VAL A 68 -3.945 -7.556 6.933 1.00 0.00 C ATOM 1023 O VAL A 68 -3.271 -8.508 7.326 1.00 0.00 O ATOM 1024 CB VAL A 68 -3.154 -7.518 4.566 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.398 -8.286 4.145 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.640 -6.653 3.425 1.00 0.00 C ATOM 0 H VAL A 68 -1.452 -6.036 5.625 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.217 -5.925 5.561 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.379 -8.241 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.173 -8.890 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.718 -8.936 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.196 -7.583 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.439 -7.279 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.391 -5.906 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.721 -6.153 3.733 1.00 0.00 H new ATOM 1036 N HIS A 69 -5.132 -7.249 7.448 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.722 -8.031 8.529 1.00 0.00 C ATOM 1038 C HIS A 69 -6.648 -9.110 7.974 1.00 0.00 C ATOM 1039 O HIS A 69 -7.185 -8.977 6.874 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.494 -7.120 9.483 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.632 -6.105 10.170 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.317 -6.341 10.511 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.905 -4.844 10.579 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -3.819 -5.269 11.101 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.762 -4.346 11.154 1.00 0.00 N ATOM 0 H HIS A 69 -5.704 -6.465 7.134 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.915 -8.516 9.077 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.276 -6.604 8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.990 -7.733 10.236 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.847 -4.326 10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.812 -5.165 11.476 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.658 -3.415 11.557 1.00 0.00 H new ATOM 1054 N THR A 70 -6.831 -10.179 8.744 1.00 0.00 N ATOM 1055 CA THR A 70 -7.690 -11.280 8.330 1.00 0.00 C ATOM 1056 C THR A 70 -8.661 -11.666 9.440 1.00 0.00 C ATOM 1057 O THR A 70 -8.317 -11.629 10.620 1.00 0.00 O ATOM 1058 CB THR A 70 -6.864 -12.518 7.932 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.742 -12.123 7.134 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.717 -13.513 7.160 1.00 0.00 C ATOM 0 H THR A 70 -6.395 -10.305 9.658 1.00 0.00 H new ATOM 0 HA THR A 70 -8.252 -10.934 7.463 1.00 0.00 H new ATOM 0 HB THR A 70 -6.509 -12.999 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.221 -12.916 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.112 -14.378 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.553 -13.834 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.098 -13.040 6.255 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.877 -12.040 9.053 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.898 -12.435 10.016 1.00 0.00 C ATOM 1070 C ASN A 71 -11.223 -13.920 9.887 1.00 0.00 C ATOM 1071 O ASN A 71 -10.608 -14.634 9.096 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.167 -11.604 9.813 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.027 -12.130 8.679 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -14.096 -12.695 8.906 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -12.561 -11.944 7.449 1.00 0.00 N ATOM 0 H ASN A 71 -10.179 -12.078 8.079 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.508 -12.253 11.017 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.748 -11.602 10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.892 -10.570 9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.095 -12.275 6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.669 -11.470 7.308 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.193 -14.378 10.671 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.601 -15.777 10.644 1.00 0.00 C ATOM 1084 C ALA A 72 -12.871 -16.242 9.216 1.00 0.00 C ATOM 1085 O ALA A 72 -12.371 -17.282 8.789 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.834 -15.984 11.510 1.00 0.00 C ATOM 0 H ALA A 72 -12.711 -13.800 11.333 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.784 -16.376 11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.127 -17.033 11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.609 -15.699 12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.651 -15.368 11.133 1.00 0.00 H new ATOM 1092 N GLU A 73 -13.663 -15.464 8.485 1.00 0.00 N ATOM 1093 CA GLU A 73 -14.001 -15.799 7.107 1.00 0.00 C ATOM 1094 C GLU A 73 -12.742 -15.909 6.251 1.00 0.00 C ATOM 1095 O GLU A 73 -12.780 -16.427 5.136 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.942 -14.746 6.518 1.00 0.00 C ATOM 1097 CG GLU A 73 -16.182 -14.499 7.360 1.00 0.00 C ATOM 1098 CD GLU A 73 -17.206 -15.610 7.231 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -17.117 -16.591 7.996 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -18.096 -15.496 6.362 1.00 0.00 O ATOM 0 H GLU A 73 -14.082 -14.598 8.824 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.505 -16.765 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.398 -13.808 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.247 -15.061 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.892 -14.397 8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.637 -13.554 7.062 1.00 0.00 H new ATOM 1107 N ASN A 74 -11.627 -15.415 6.781 1.00 0.00 N ATOM 1108 CA ASN A 74 -10.357 -15.455 6.066 1.00 0.00 C ATOM 1109 C ASN A 74 -10.335 -14.429 4.939 1.00 0.00 C ATOM 1110 O ASN A 74 -9.796 -14.684 3.861 1.00 0.00 O ATOM 1111 CB ASN A 74 -10.111 -16.856 5.502 1.00 0.00 C ATOM 1112 CG ASN A 74 -10.507 -17.950 6.474 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -10.260 -17.845 7.676 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -11.122 -19.007 5.957 1.00 0.00 N ATOM 0 H ASN A 74 -11.578 -14.982 7.703 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.563 -15.210 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.674 -16.976 4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.056 -16.963 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.411 -19.776 6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.306 -19.050 4.955 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.923 -13.265 5.194 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.969 -12.197 4.202 1.00 0.00 C ATOM 1123 C LYS A 75 -9.916 -11.134 4.496 1.00 0.00 C ATOM 1124 O LYS A 75 -9.815 -10.640 5.621 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.360 -11.557 4.176 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.467 -12.526 3.799 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.579 -12.687 2.292 1.00 0.00 C ATOM 1128 CE LYS A 75 -12.698 -13.818 1.786 1.00 0.00 C ATOM 1129 NZ LYS A 75 -13.231 -14.419 0.532 1.00 0.00 N ATOM 0 H LYS A 75 -11.375 -13.037 6.080 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.757 -12.633 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.576 -11.136 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.357 -10.729 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.273 -13.496 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.416 -12.169 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.617 -12.884 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.294 -11.755 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.691 -13.442 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.620 -14.588 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.602 -15.186 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.182 -14.801 0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.282 -13.690 -0.208 1.00 0.00 H new ATOM 1143 N LEU A 76 -9.134 -10.786 3.480 1.00 0.00 N ATOM 1144 CA LEU A 76 -8.088 -9.779 3.631 1.00 0.00 C ATOM 1145 C LEU A 76 -8.663 -8.373 3.499 1.00 0.00 C ATOM 1146 O LEU A 76 -9.302 -8.044 2.499 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.992 -9.995 2.585 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.369 -11.392 2.545 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.899 -11.725 1.136 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.215 -11.490 3.531 1.00 0.00 C ATOM 0 H LEU A 76 -9.204 -11.185 2.544 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.658 -9.883 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.408 -9.776 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.198 -9.270 2.764 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.129 -12.117 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.459 -12.722 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.748 -11.696 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.153 -10.996 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.784 -12.490 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.452 -10.755 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.580 -11.295 4.539 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.428 -7.546 4.512 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.922 -6.174 4.508 1.00 0.00 C ATOM 1164 C TYR A 77 -7.952 -5.245 5.229 1.00 0.00 C ATOM 1165 O TYR A 77 -7.309 -5.634 6.206 1.00 0.00 O ATOM 1166 CB TYR A 77 -10.299 -6.106 5.171 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.300 -6.550 6.616 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.488 -7.885 6.952 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.113 -5.635 7.645 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.489 -8.296 8.271 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.111 -6.038 8.967 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.300 -7.368 9.275 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.301 -7.774 10.590 1.00 0.00 O ATOM 0 H TYR A 77 -7.899 -7.802 5.346 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.007 -5.847 3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.670 -5.083 5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.995 -6.729 4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.636 -8.614 6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.967 -4.592 7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.637 -9.338 8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.962 -5.314 9.755 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.154 -6.999 11.172 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.852 -4.013 4.742 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.960 -3.024 5.339 1.00 0.00 C ATOM 1185 C LEU A 78 -7.696 -2.185 6.379 1.00 0.00 C ATOM 1186 O LEU A 78 -7.111 -1.756 7.373 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.375 -2.117 4.256 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.203 -2.693 3.459 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.831 -1.767 2.312 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -4.005 -2.930 4.366 1.00 0.00 C ATOM 0 H LEU A 78 -8.377 -3.675 3.936 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.148 -3.555 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.171 -1.858 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.048 -1.189 4.725 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.510 -3.651 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.996 -2.193 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.687 -1.650 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.544 -0.793 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.181 -3.340 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.697 -1.986 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.277 -3.634 5.152 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.983 -1.954 6.142 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.800 -1.170 7.060 1.00 0.00 C ATOM 1204 C ALA A 79 -11.003 -1.972 7.546 1.00 0.00 C ATOM 1205 O ALA A 79 -11.592 -2.744 6.791 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.258 0.118 6.391 1.00 0.00 C ATOM 0 H ALA A 79 -9.482 -2.299 5.322 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.189 -0.919 7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.867 0.693 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.388 0.706 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.848 -0.121 5.506 1.00 0.00 H new ATOM 1212 N GLU A 80 -11.360 -1.783 8.813 1.00 0.00 N ATOM 1213 CA GLU A 80 -12.493 -2.491 9.400 1.00 0.00 C ATOM 1214 C GLU A 80 -13.789 -2.137 8.678 1.00 0.00 C ATOM 1215 O GLU A 80 -13.904 -1.072 8.073 1.00 0.00 O ATOM 1216 CB GLU A 80 -12.617 -2.156 10.888 1.00 0.00 C ATOM 1217 CG GLU A 80 -13.238 -3.270 11.713 1.00 0.00 C ATOM 1218 CD GLU A 80 -13.333 -2.921 13.186 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -14.261 -2.173 13.558 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -12.482 -3.396 13.966 1.00 0.00 O ATOM 0 H GLU A 80 -10.882 -1.147 9.452 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.317 -3.561 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.627 -1.930 11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.219 -1.254 11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.235 -3.488 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.646 -4.177 11.596 1.00 0.00 H new ATOM 1227 N ASN A 81 -14.763 -3.039 8.746 1.00 0.00 N ATOM 1228 CA ASN A 81 -16.052 -2.823 8.097 1.00 0.00 C ATOM 1229 C ASN A 81 -15.908 -2.851 6.579 1.00 0.00 C ATOM 1230 O ASN A 81 -16.696 -2.237 5.859 1.00 0.00 O ATOM 1231 CB ASN A 81 -16.651 -1.487 8.540 1.00 0.00 C ATOM 1232 CG ASN A 81 -16.493 -1.248 10.029 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -16.387 -2.190 10.813 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -16.477 0.019 10.426 1.00 0.00 N ATOM 0 H ASN A 81 -14.685 -3.926 9.244 1.00 0.00 H new ATOM 0 HA ASN A 81 -16.721 -3.630 8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -16.170 -0.677 7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -17.710 -1.463 8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -16.374 0.242 11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -16.568 0.769 9.741 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.898 -3.568 6.099 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.649 -3.674 4.666 1.00 0.00 C ATOM 1243 C TYR A 82 -13.983 -5.005 4.326 1.00 0.00 C ATOM 1244 O TYR A 82 -13.311 -5.606 5.164 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.771 -2.515 4.191 1.00 0.00 C ATOM 1246 CG TYR A 82 -14.551 -1.264 3.852 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -15.258 -1.165 2.660 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.580 -0.183 4.723 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -15.971 -0.024 2.346 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -15.291 0.962 4.418 1.00 0.00 C ATOM 1251 CZ TYR A 82 -15.985 1.036 3.228 1.00 0.00 C ATOM 1252 OH TYR A 82 -16.693 2.175 2.919 1.00 0.00 O ATOM 0 H TYR A 82 -14.238 -4.084 6.681 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.609 -3.627 4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.043 -2.280 4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.209 -2.832 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -15.250 -1.994 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.037 -0.238 5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.514 0.037 1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.303 1.794 5.107 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.600 2.825 3.646 1.00 0.00 H new ATOM 1262 N CYS A 83 -14.174 -5.455 3.091 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.592 -6.713 2.639 1.00 0.00 C ATOM 1264 C CYS A 83 -13.148 -6.614 1.182 1.00 0.00 C ATOM 1265 O CYS A 83 -13.611 -5.750 0.438 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.599 -7.853 2.800 1.00 0.00 C ATOM 1267 SG CYS A 83 -14.198 -9.335 1.846 1.00 0.00 S ATOM 0 H CYS A 83 -14.727 -4.968 2.386 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.717 -6.921 3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.663 -8.120 3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -15.585 -7.497 2.500 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.138 -9.035 0.583 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.245 -7.505 0.783 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.735 -7.516 -0.583 1.00 0.00 C ATOM 1275 C PHE A 84 -11.604 -8.945 -1.103 1.00 0.00 C ATOM 1276 O PHE A 84 -11.919 -9.904 -0.398 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.380 -6.810 -0.651 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.413 -5.398 -0.138 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.351 -5.140 1.222 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.505 -4.330 -1.015 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.383 -3.843 1.696 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.536 -3.031 -0.547 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.474 -2.786 0.811 1.00 0.00 C ATOM 0 H PHE A 84 -11.852 -8.228 1.386 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.446 -6.982 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.653 -7.381 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.034 -6.805 -1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.277 -5.962 1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.553 -4.515 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.337 -3.655 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.609 -2.208 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.497 -1.771 1.180 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.138 -9.078 -2.339 1.00 0.00 N ATOM 1294 CA ASP A 85 -10.963 -10.389 -2.954 1.00 0.00 C ATOM 1295 C ASP A 85 -9.550 -10.914 -2.723 1.00 0.00 C ATOM 1296 O ASP A 85 -9.357 -12.092 -2.422 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.254 -10.314 -4.454 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.338 -11.685 -5.096 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -10.441 -12.516 -4.841 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -12.301 -11.928 -5.854 1.00 0.00 O ATOM 0 H ASP A 85 -10.874 -8.294 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.667 -11.079 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.193 -9.783 -4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.473 -9.734 -4.944 1.00 0.00 H new ATOM 1305 N SER A 86 -8.566 -10.032 -2.864 1.00 0.00 N ATOM 1306 CA SER A 86 -7.170 -10.408 -2.674 1.00 0.00 C ATOM 1307 C SER A 86 -6.286 -9.171 -2.550 1.00 0.00 C ATOM 1308 O SER A 86 -6.753 -8.043 -2.710 1.00 0.00 O ATOM 1309 CB SER A 86 -6.691 -11.276 -3.840 1.00 0.00 C ATOM 1310 OG SER A 86 -7.672 -12.231 -4.202 1.00 0.00 O ATOM 0 H SER A 86 -8.709 -9.052 -3.109 1.00 0.00 H new ATOM 0 HA SER A 86 -7.096 -10.980 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.461 -10.644 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.768 -11.785 -3.563 1.00 0.00 H new ATOM 0 HG SER A 86 -8.027 -12.658 -3.394 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.008 -9.392 -2.263 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.058 -8.295 -2.118 1.00 0.00 C ATOM 1318 C ILE A 87 -4.105 -7.363 -3.323 1.00 0.00 C ATOM 1319 O ILE A 87 -4.359 -6.164 -3.203 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.619 -8.816 -1.943 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.302 -9.014 -0.459 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.626 -7.854 -2.578 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -2.785 -10.339 0.090 1.00 0.00 C ATOM 0 H ILE A 87 -4.606 -10.320 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.348 -7.743 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.534 -9.779 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.224 -8.940 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.757 -8.205 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.614 -8.236 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.842 -7.758 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.710 -6.877 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.526 -10.411 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.867 -10.408 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.310 -11.154 -0.456 1.00 0.00 H new ATOM 1335 N PRO A 88 -3.857 -7.925 -4.516 1.00 0.00 N ATOM 1336 CA PRO A 88 -3.870 -7.162 -5.768 1.00 0.00 C ATOM 1337 C PRO A 88 -5.273 -6.714 -6.161 1.00 0.00 C ATOM 1338 O PRO A 88 -5.449 -5.673 -6.794 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.319 -8.156 -6.794 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.634 -9.498 -6.227 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.548 -9.348 -4.734 1.00 0.00 C ATOM 0 HA PRO A 88 -3.290 -6.242 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.786 -8.018 -7.769 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.246 -8.027 -6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.629 -9.826 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.929 -10.248 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.260 -9.997 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.557 -9.606 -4.361 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.270 -7.506 -5.781 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.658 -7.191 -6.092 1.00 0.00 C ATOM 1351 C LYS A 89 -8.154 -6.022 -5.245 1.00 0.00 C ATOM 1352 O LYS A 89 -9.220 -5.462 -5.505 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.546 -8.416 -5.858 1.00 0.00 C ATOM 1354 CG LYS A 89 -8.669 -9.318 -7.074 1.00 0.00 C ATOM 1355 CD LYS A 89 -7.531 -10.322 -7.141 1.00 0.00 C ATOM 1356 CE LYS A 89 -7.216 -10.713 -8.576 1.00 0.00 C ATOM 1357 NZ LYS A 89 -8.351 -11.435 -9.215 1.00 0.00 N ATOM 0 H LYS A 89 -6.142 -8.371 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.712 -6.905 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.142 -8.994 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.540 -8.082 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.621 -9.848 -7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.674 -8.711 -7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.642 -9.897 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.796 -11.212 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.983 -9.818 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.328 -11.344 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.098 -11.685 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.557 -12.302 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.192 -10.823 -9.221 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.374 -5.659 -4.234 1.00 0.00 N ATOM 1372 CA LEU A 90 -7.732 -4.554 -3.350 1.00 0.00 C ATOM 1373 C LEU A 90 -7.165 -3.236 -3.867 1.00 0.00 C ATOM 1374 O LEU A 90 -7.815 -2.194 -3.781 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.220 -4.823 -1.934 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.241 -3.631 -0.975 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.433 -4.102 0.458 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -5.960 -2.820 -1.105 1.00 0.00 C ATOM 0 H LEU A 90 -6.490 -6.113 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.819 -4.476 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.818 -5.624 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.196 -5.190 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.082 -2.990 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.445 -3.240 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.378 -4.639 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.614 -4.765 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.992 -1.976 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.104 -3.451 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.865 -2.451 -2.126 1.00 0.00 H new ATOM 1390 N ILE A 91 -5.952 -3.291 -4.405 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.299 -2.102 -4.940 1.00 0.00 C ATOM 1392 C ILE A 91 -6.158 -1.437 -6.010 1.00 0.00 C ATOM 1393 O ILE A 91 -6.349 -0.220 -6.000 1.00 0.00 O ATOM 1394 CB ILE A 91 -3.921 -2.438 -5.539 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.113 -3.299 -4.566 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.166 -1.161 -5.878 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.082 -2.750 -3.157 1.00 0.00 C ATOM 0 H ILE A 91 -5.401 -4.146 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.165 -1.413 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.069 -3.005 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.534 -4.304 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.091 -3.389 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.194 -1.414 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.737 -0.582 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.025 -0.570 -4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.492 -3.411 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.633 -1.757 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.099 -2.686 -2.769 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.676 -2.244 -6.930 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.518 -1.734 -8.007 1.00 0.00 C ATOM 1411 C HIS A 92 -8.488 -0.678 -7.484 1.00 0.00 C ATOM 1412 O HIS A 92 -8.535 0.442 -7.993 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.294 -2.877 -8.661 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.010 -2.475 -9.915 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -8.548 -2.787 -11.177 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -10.160 -1.785 -10.095 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.384 -2.304 -12.079 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -10.370 -1.692 -11.449 1.00 0.00 N ATOM 0 H HIS A 92 -6.528 -3.253 -6.952 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.872 -1.271 -8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.604 -3.689 -8.891 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.020 -3.268 -7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.794 -1.383 -9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.279 -2.394 -13.150 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.160 -1.226 -11.896 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.261 -1.045 -6.467 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.233 -0.130 -5.878 1.00 0.00 C ATOM 1429 C TYR A 93 -9.534 1.050 -5.211 1.00 0.00 C ATOM 1430 O TYR A 93 -9.755 2.205 -5.577 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.102 -0.866 -4.858 1.00 0.00 C ATOM 1432 CG TYR A 93 -11.947 -1.966 -5.464 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.140 -1.675 -6.113 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -11.550 -3.294 -5.386 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -13.914 -2.677 -6.666 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -12.317 -4.303 -5.938 1.00 0.00 C ATOM 1437 CZ TYR A 93 -13.499 -3.989 -6.576 1.00 0.00 C ATOM 1438 OH TYR A 93 -14.266 -4.989 -7.127 1.00 0.00 O ATOM 0 H TYR A 93 -9.234 -1.968 -6.034 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.868 0.252 -6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.460 -1.294 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.756 -0.147 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.468 -0.649 -6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.626 -3.543 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.840 -2.434 -7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.993 -5.331 -5.870 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.832 -5.855 -6.977 1.00 0.00 H new ATOM 1448 N HIS A 94 -8.690 0.752 -4.229 1.00 0.00 N ATOM 1449 CA HIS A 94 -7.957 1.787 -3.509 1.00 0.00 C ATOM 1450 C HIS A 94 -7.409 2.835 -4.474 1.00 0.00 C ATOM 1451 O HIS A 94 -7.354 4.020 -4.149 1.00 0.00 O ATOM 1452 CB HIS A 94 -6.812 1.168 -2.707 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.207 0.754 -1.323 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -6.735 1.378 -0.187 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.034 -0.227 -0.895 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -7.254 0.797 0.880 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.047 -0.180 0.478 1.00 0.00 N ATOM 0 H HIS A 94 -8.496 -0.198 -3.913 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.648 2.276 -2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.432 0.298 -3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.994 1.886 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.582 -0.919 -1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.063 1.074 1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.582 -0.799 1.088 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.006 2.388 -5.659 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.461 3.288 -6.669 1.00 0.00 C ATOM 1468 C GLN A 95 -7.538 4.230 -7.196 1.00 0.00 C ATOM 1469 O GLN A 95 -7.275 5.402 -7.468 1.00 0.00 O ATOM 1470 CB GLN A 95 -5.857 2.486 -7.823 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.731 3.210 -8.542 1.00 0.00 C ATOM 1472 CD GLN A 95 -5.228 4.081 -9.680 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -6.398 4.018 -10.058 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -4.340 4.899 -10.231 1.00 0.00 N ATOM 0 H GLN A 95 -7.046 1.409 -5.943 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.678 3.886 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.481 1.538 -7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.643 2.250 -8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.187 3.828 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.024 2.478 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.381 4.918 -9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.617 5.509 -11.000 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.753 3.710 -7.341 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.871 4.504 -7.836 1.00 0.00 C ATOM 1485 C HIS A 96 -10.539 5.272 -6.699 1.00 0.00 C ATOM 1486 O HIS A 96 -10.573 6.502 -6.704 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.896 3.606 -8.531 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.427 3.072 -9.849 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -10.137 3.880 -10.928 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.197 1.802 -10.258 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -9.750 3.130 -11.945 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.778 1.865 -11.564 1.00 0.00 N ATOM 0 H HIS A 96 -8.988 2.742 -7.122 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.481 5.223 -8.557 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.139 2.770 -7.875 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.817 4.169 -8.683 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.320 0.906 -9.667 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.460 3.490 -12.921 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.529 1.065 -12.146 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.067 4.538 -5.726 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.735 5.150 -4.583 1.00 0.00 C ATOM 1503 C ASN A 97 -11.293 4.492 -3.278 1.00 0.00 C ATOM 1504 O ASN A 97 -11.681 3.364 -2.978 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.253 5.040 -4.733 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.710 5.255 -6.163 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.026 6.375 -6.563 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.746 4.179 -6.941 1.00 0.00 N ATOM 0 H ASN A 97 -11.046 3.518 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.455 6.203 -4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.578 4.056 -4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.733 5.775 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.045 4.262 -7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.475 3.270 -6.567 1.00 0.00 H new ATOM 1515 N SER A 98 -10.478 5.206 -2.508 1.00 0.00 N ATOM 1516 CA SER A 98 -9.980 4.692 -1.238 1.00 0.00 C ATOM 1517 C SER A 98 -11.125 4.150 -0.386 1.00 0.00 C ATOM 1518 O SER A 98 -12.296 4.311 -0.725 1.00 0.00 O ATOM 1519 CB SER A 98 -9.237 5.789 -0.476 1.00 0.00 C ATOM 1520 OG SER A 98 -10.070 6.914 -0.258 1.00 0.00 O ATOM 0 H SER A 98 -10.149 6.143 -2.742 1.00 0.00 H new ATOM 0 HA SER A 98 -9.289 3.876 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.889 5.400 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.353 6.091 -1.038 1.00 0.00 H new ATOM 0 HG SER A 98 -9.571 7.600 0.233 1.00 0.00 H new ATOM 1526 N ALA A 99 -10.774 3.507 0.723 1.00 0.00 N ATOM 1527 CA ALA A 99 -11.770 2.943 1.626 1.00 0.00 C ATOM 1528 C ALA A 99 -11.574 3.455 3.048 1.00 0.00 C ATOM 1529 O ALA A 99 -10.684 3.000 3.766 1.00 0.00 O ATOM 1530 CB ALA A 99 -11.707 1.423 1.597 1.00 0.00 C ATOM 0 H ALA A 99 -9.808 3.364 1.018 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.755 3.262 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.456 1.015 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.904 1.070 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.716 1.094 1.910 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.411 4.407 3.451 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.313 4.965 4.787 1.00 0.00 C ATOM 1538 C GLY A 100 -11.458 6.216 4.830 1.00 0.00 C ATOM 1539 O GLY A 100 -11.792 7.226 4.212 1.00 0.00 O ATOM 0 H GLY A 100 -13.155 4.801 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.312 5.199 5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.893 4.218 5.460 1.00 0.00 H new ATOM 1543 N MET A 101 -10.350 6.148 5.562 1.00 0.00 N ATOM 1544 CA MET A 101 -9.445 7.285 5.685 1.00 0.00 C ATOM 1545 C MET A 101 -8.155 7.037 4.909 1.00 0.00 C ATOM 1546 O MET A 101 -7.456 7.978 4.531 1.00 0.00 O ATOM 1547 CB MET A 101 -9.125 7.555 7.156 1.00 0.00 C ATOM 1548 CG MET A 101 -10.349 7.898 7.990 1.00 0.00 C ATOM 1549 SD MET A 101 -9.924 8.670 9.562 1.00 0.00 S ATOM 1550 CE MET A 101 -9.706 7.227 10.601 1.00 0.00 C ATOM 0 H MET A 101 -10.058 5.318 6.078 1.00 0.00 H new ATOM 0 HA MET A 101 -9.941 8.159 5.264 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.640 6.676 7.581 1.00 0.00 H new ATOM 0 HB3 MET A 101 -8.410 8.376 7.219 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.994 8.569 7.423 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.921 6.990 8.179 1.00 0.00 H new ATOM 0 HE1 MET A 101 -9.439 7.542 11.610 1.00 0.00 H new ATOM 0 HE2 MET A 101 -10.635 6.658 10.632 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.911 6.602 10.194 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.844 5.767 4.676 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.638 5.396 3.946 1.00 0.00 C ATOM 1562 C ILE A 102 -6.453 6.272 2.712 1.00 0.00 C ATOM 1563 O ILE A 102 -7.271 6.249 1.791 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.673 3.919 3.512 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -6.582 3.004 4.736 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.542 3.625 2.539 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.741 1.536 4.406 1.00 0.00 C ATOM 0 H ILE A 102 -8.411 4.976 4.982 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.799 5.546 4.626 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.619 3.726 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.619 3.156 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.351 3.292 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.581 2.577 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.648 4.256 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.586 3.831 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.666 0.947 5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.715 1.370 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.957 1.232 3.713 1.00 0.00 H new ATOM 1579 N THR A 103 -5.371 7.044 2.697 1.00 0.00 N ATOM 1580 CA THR A 103 -5.077 7.927 1.576 1.00 0.00 C ATOM 1581 C THR A 103 -5.279 7.212 0.244 1.00 0.00 C ATOM 1582 O THR A 103 -4.974 6.026 0.113 1.00 0.00 O ATOM 1583 CB THR A 103 -3.633 8.462 1.644 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.413 9.117 2.898 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.360 9.431 0.504 1.00 0.00 C ATOM 0 H THR A 103 -4.683 7.075 3.450 1.00 0.00 H new ATOM 0 HA THR A 103 -5.771 8.765 1.645 1.00 0.00 H new ATOM 0 HB THR A 103 -2.951 7.617 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.648 9.725 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.335 9.795 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.500 8.921 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.049 10.273 0.569 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.793 7.940 -0.741 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.037 7.374 -2.063 1.00 0.00 C ATOM 1595 C ARG A 104 -4.736 7.262 -2.854 1.00 0.00 C ATOM 1596 O ARG A 104 -4.089 8.267 -3.150 1.00 0.00 O ATOM 1597 CB ARG A 104 -7.042 8.233 -2.831 1.00 0.00 C ATOM 1598 CG ARG A 104 -6.446 9.516 -3.390 1.00 0.00 C ATOM 1599 CD ARG A 104 -7.522 10.436 -3.943 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.120 11.268 -2.901 1.00 0.00 N ATOM 1601 CZ ARG A 104 -9.127 12.106 -3.118 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -9.648 12.222 -4.331 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -9.615 12.830 -2.118 1.00 0.00 N ATOM 0 H ARG A 104 -6.049 8.923 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.450 6.374 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.456 7.647 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.871 8.485 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.892 10.033 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.733 9.274 -4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.091 11.075 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.299 9.839 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.743 11.201 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.276 11.667 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.421 12.867 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.216 12.743 -1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.388 13.474 -2.285 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.360 6.035 -3.192 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.137 5.790 -3.949 1.00 0.00 C ATOM 1619 C LEU A 105 -3.054 6.710 -5.162 1.00 0.00 C ATOM 1620 O LEU A 105 -4.036 6.895 -5.881 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.074 4.329 -4.396 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.425 3.287 -3.335 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.097 1.887 -3.833 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -2.687 3.578 -2.035 1.00 0.00 C ATOM 0 H LEU A 105 -4.884 5.193 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.288 6.000 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.750 4.199 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.067 4.124 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.496 3.341 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.354 1.158 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.670 1.679 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.032 1.820 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.949 2.826 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.612 3.552 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.971 4.565 -1.669 1.00 0.00 H new ATOM 1636 N ARG A 106 -1.876 7.282 -5.387 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.665 8.182 -6.514 1.00 0.00 C ATOM 1638 C ARG A 106 -1.008 7.447 -7.680 1.00 0.00 C ATOM 1639 O ARG A 106 -1.546 7.413 -8.788 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.798 9.369 -6.092 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.373 10.256 -7.251 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.485 11.210 -7.660 1.00 0.00 C ATOM 1643 NE ARG A 106 -1.259 11.780 -8.985 1.00 0.00 N ATOM 1644 CZ ARG A 106 -2.198 12.405 -9.687 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -3.420 12.540 -9.191 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -1.914 12.896 -10.886 1.00 0.00 N ATOM 0 H ARG A 106 -1.052 7.138 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.638 8.550 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.348 9.970 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.092 8.996 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.512 10.827 -6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.093 9.635 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.438 10.681 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.560 12.014 -6.928 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.329 11.694 -9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.641 12.164 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.140 13.020 -9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.974 12.794 -11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.635 13.376 -11.425 1.00 0.00 H new ATOM 1660 N HIS A 107 0.157 6.863 -7.423 1.00 0.00 N ATOM 1661 CA HIS A 107 0.887 6.129 -8.450 1.00 0.00 C ATOM 1662 C HIS A 107 1.678 4.977 -7.837 1.00 0.00 C ATOM 1663 O HIS A 107 2.156 5.054 -6.706 1.00 0.00 O ATOM 1664 CB HIS A 107 1.831 7.068 -9.204 1.00 0.00 C ATOM 1665 CG HIS A 107 1.203 7.716 -10.398 1.00 0.00 C ATOM 1666 ND1 HIS A 107 0.924 7.035 -11.564 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.798 8.992 -10.603 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.376 7.864 -12.435 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.288 9.058 -11.876 1.00 0.00 N ATOM 0 H HIS A 107 0.616 6.884 -6.512 1.00 0.00 H new ATOM 0 HA HIS A 107 0.162 5.715 -9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.180 7.843 -8.522 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.709 6.507 -9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.864 9.806 -9.896 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.055 7.609 -13.434 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.096 9.893 -12.318 1.00 0.00 H new ATOM 1678 N PRO A 108 1.821 3.884 -8.601 1.00 0.00 N ATOM 1679 CA PRO A 108 2.553 2.696 -8.153 1.00 0.00 C ATOM 1680 C PRO A 108 4.055 2.942 -8.056 1.00 0.00 C ATOM 1681 O PRO A 108 4.664 3.495 -8.972 1.00 0.00 O ATOM 1682 CB PRO A 108 2.250 1.662 -9.241 1.00 0.00 C ATOM 1683 CG PRO A 108 1.942 2.469 -10.455 1.00 0.00 C ATOM 1684 CD PRO A 108 1.278 3.724 -9.961 1.00 0.00 C ATOM 0 HA PRO A 108 2.251 2.385 -7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.102 1.003 -9.409 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.408 1.029 -8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.851 2.701 -11.010 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.286 1.921 -11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.516 4.580 -10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.192 3.627 -9.952 1.00 0.00 H new ATOM 1692 N VAL A 109 4.646 2.529 -6.940 1.00 0.00 N ATOM 1693 CA VAL A 109 6.077 2.704 -6.723 1.00 0.00 C ATOM 1694 C VAL A 109 6.805 1.365 -6.751 1.00 0.00 C ATOM 1695 O VAL A 109 6.225 0.325 -6.439 1.00 0.00 O ATOM 1696 CB VAL A 109 6.361 3.403 -5.380 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.841 3.324 -5.040 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.890 4.848 -5.422 1.00 0.00 C ATOM 0 H VAL A 109 4.156 2.071 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 109 6.445 3.331 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 109 5.806 2.888 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.023 3.823 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.142 2.279 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.421 3.813 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.098 5.327 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.416 5.379 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.818 4.876 -5.616 1.00 0.00 H new ATOM 1708 N SER A 110 8.080 1.398 -7.127 1.00 0.00 N ATOM 1709 CA SER A 110 8.887 0.186 -7.198 1.00 0.00 C ATOM 1710 C SER A 110 10.342 0.520 -7.515 1.00 0.00 C ATOM 1711 O SER A 110 10.636 1.175 -8.515 1.00 0.00 O ATOM 1712 CB SER A 110 8.327 -0.764 -8.259 1.00 0.00 C ATOM 1713 OG SER A 110 8.541 -0.253 -9.564 1.00 0.00 O ATOM 0 H SER A 110 8.576 2.251 -7.387 1.00 0.00 H new ATOM 0 HA SER A 110 8.848 -0.304 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.802 -1.740 -8.165 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.260 -0.911 -8.093 1.00 0.00 H new ATOM 0 HG SER A 110 9.204 0.468 -9.528 1.00 0.00 H new