USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 565 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 NoAdj-H: A 37 HIS HE2 : A 37 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 41 HIS HE2 : A 41 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 26 LYS NZ :NH3+ -157:sc= -2.68! (180deg=-1.51) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -151:sc= -0.274 (180deg=-0.634) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0917 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000535 USER MOD Single : A 3 SER OG : rot 13:sc= 0.0183 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0894 X(o=-0.089,f=0) USER MOD Single : A 13 GLN : amide:sc=-2.83e-05 K(o=-2.8e-05,f=-0.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= -0.166 (180deg=-0.846) USER MOD Single : A 27 SER OG : rot 173:sc= -0.573 USER MOD Single : A 29 SER OG : rot 180:sc= -0.889 USER MOD Single : A 30 HIS : no HD1:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00121 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00668) USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.5) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -2.09! F(o=-2.7,f=-2.1!) USER MOD Single : A 66 HIS :FLIP no HE2:sc= -1.94 F(o=-3.7!,f=-1.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.667 -13.377 6.189 1.00 0.00 N ATOM 2 CA GLY A 1 -24.731 -12.275 6.313 1.00 0.00 C ATOM 3 C GLY A 1 -25.383 -10.930 6.061 1.00 0.00 C ATOM 4 O GLY A 1 -26.544 -10.861 5.657 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.847 -13.787 7.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.561 -13.030 5.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.265 -14.105 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.296 -12.283 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.912 -12.416 5.607 1.00 0.00 H new ATOM 8 N SER A 2 -24.636 -9.857 6.302 1.00 0.00 N ATOM 9 CA SER A 2 -25.151 -8.507 6.104 1.00 0.00 C ATOM 10 C SER A 2 -24.021 -7.539 5.765 1.00 0.00 C ATOM 11 O SER A 2 -22.845 -7.901 5.810 1.00 0.00 O ATOM 12 CB SER A 2 -25.887 -8.030 7.358 1.00 0.00 C ATOM 13 OG SER A 2 -26.770 -6.964 7.056 1.00 0.00 O ATOM 0 H SER A 2 -23.673 -9.896 6.635 1.00 0.00 H new ATOM 0 HA SER A 2 -25.850 -8.530 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.447 -8.858 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.164 -7.707 8.107 1.00 0.00 H new ATOM 0 HG SER A 2 -27.229 -6.678 7.873 1.00 0.00 H new ATOM 19 N SER A 3 -24.387 -6.307 5.427 1.00 0.00 N ATOM 20 CA SER A 3 -23.405 -5.287 5.076 1.00 0.00 C ATOM 21 C SER A 3 -23.808 -3.929 5.642 1.00 0.00 C ATOM 22 O SER A 3 -24.982 -3.679 5.910 1.00 0.00 O ATOM 23 CB SER A 3 -23.255 -5.195 3.557 1.00 0.00 C ATOM 24 OG SER A 3 -22.457 -6.255 3.058 1.00 0.00 O ATOM 0 H SER A 3 -25.356 -5.991 5.389 1.00 0.00 H new ATOM 0 HA SER A 3 -22.448 -5.573 5.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.239 -5.225 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.804 -4.239 3.290 1.00 0.00 H new ATOM 0 HG SER A 3 -22.337 -6.931 3.757 1.00 0.00 H new ATOM 30 N GLY A 4 -22.823 -3.054 5.822 1.00 0.00 N ATOM 31 CA GLY A 4 -23.093 -1.732 6.355 1.00 0.00 C ATOM 32 C GLY A 4 -22.270 -0.654 5.678 1.00 0.00 C ATOM 33 O GLY A 4 -21.723 -0.869 4.596 1.00 0.00 O ATOM 0 H GLY A 4 -21.843 -3.238 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.152 -1.505 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.885 -1.726 7.425 1.00 0.00 H new ATOM 37 N SER A 5 -22.182 0.509 6.315 1.00 0.00 N ATOM 38 CA SER A 5 -21.424 1.627 5.765 1.00 0.00 C ATOM 39 C SER A 5 -20.080 1.155 5.218 1.00 0.00 C ATOM 40 O SER A 5 -19.520 0.164 5.688 1.00 0.00 O ATOM 41 CB SER A 5 -21.205 2.698 6.835 1.00 0.00 C ATOM 42 OG SER A 5 -20.655 3.876 6.272 1.00 0.00 O ATOM 0 H SER A 5 -22.626 0.702 7.213 1.00 0.00 H new ATOM 0 HA SER A 5 -22.000 2.056 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.153 2.931 7.320 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.538 2.314 7.607 1.00 0.00 H new ATOM 0 HG SER A 5 -20.526 4.546 6.976 1.00 0.00 H new ATOM 48 N SER A 6 -19.568 1.872 4.223 1.00 0.00 N ATOM 49 CA SER A 6 -18.291 1.525 3.609 1.00 0.00 C ATOM 50 C SER A 6 -17.180 2.443 4.111 1.00 0.00 C ATOM 51 O SER A 6 -16.115 1.982 4.518 1.00 0.00 O ATOM 52 CB SER A 6 -18.393 1.615 2.086 1.00 0.00 C ATOM 53 OG SER A 6 -18.903 0.411 1.537 1.00 0.00 O ATOM 0 H SER A 6 -20.017 2.697 3.825 1.00 0.00 H new ATOM 0 HA SER A 6 -18.047 0.500 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.041 2.447 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.410 1.823 1.664 1.00 0.00 H new ATOM 0 HG SER A 6 -18.960 0.494 0.562 1.00 0.00 H new ATOM 59 N GLY A 7 -17.439 3.747 4.077 1.00 0.00 N ATOM 60 CA GLY A 7 -16.452 4.711 4.530 1.00 0.00 C ATOM 61 C GLY A 7 -16.947 5.542 5.697 1.00 0.00 C ATOM 62 O GLY A 7 -18.149 5.762 5.846 1.00 0.00 O ATOM 0 H GLY A 7 -18.314 4.153 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.543 4.186 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.188 5.371 3.704 1.00 0.00 H new ATOM 66 N ARG A 8 -16.019 6.005 6.527 1.00 0.00 N ATOM 67 CA ARG A 8 -16.367 6.815 7.689 1.00 0.00 C ATOM 68 C ARG A 8 -15.147 7.566 8.214 1.00 0.00 C ATOM 69 O ARG A 8 -14.012 7.250 7.860 1.00 0.00 O ATOM 70 CB ARG A 8 -16.953 5.934 8.794 1.00 0.00 C ATOM 71 CG ARG A 8 -15.936 5.001 9.432 1.00 0.00 C ATOM 72 CD ARG A 8 -16.515 4.294 10.647 1.00 0.00 C ATOM 73 NE ARG A 8 -16.794 5.222 11.739 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.619 4.948 12.744 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.241 3.778 12.795 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.822 5.844 13.701 1.00 0.00 N ATOM 0 H ARG A 8 -15.020 5.833 6.417 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.115 7.545 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.383 6.572 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.768 5.341 8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.610 4.262 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.054 5.569 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.434 3.781 10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.816 3.531 10.990 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.330 6.130 11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.087 3.086 12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.874 3.570 13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.345 6.745 13.666 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.456 5.632 14.472 1.00 0.00 H new ATOM 90 N SER A 9 -15.391 8.561 9.061 1.00 0.00 N ATOM 91 CA SER A 9 -14.313 9.359 9.632 1.00 0.00 C ATOM 92 C SER A 9 -13.072 8.505 9.872 1.00 0.00 C ATOM 93 O SER A 9 -13.174 7.327 10.212 1.00 0.00 O ATOM 94 CB SER A 9 -14.766 10.001 10.945 1.00 0.00 C ATOM 95 OG SER A 9 -15.640 11.091 10.706 1.00 0.00 O ATOM 0 H SER A 9 -16.325 8.833 9.367 1.00 0.00 H new ATOM 0 HA SER A 9 -14.059 10.144 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.269 9.257 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.896 10.345 11.504 1.00 0.00 H new ATOM 0 HG SER A 9 -15.916 11.482 11.561 1.00 0.00 H new ATOM 101 N GLU A 10 -11.901 9.109 9.692 1.00 0.00 N ATOM 102 CA GLU A 10 -10.640 8.403 9.888 1.00 0.00 C ATOM 103 C GLU A 10 -10.250 8.385 11.363 1.00 0.00 C ATOM 104 O GLU A 10 -10.618 9.281 12.124 1.00 0.00 O ATOM 105 CB GLU A 10 -9.530 9.058 9.063 1.00 0.00 C ATOM 106 CG GLU A 10 -8.221 8.286 9.084 1.00 0.00 C ATOM 107 CD GLU A 10 -8.186 7.171 8.057 1.00 0.00 C ATOM 108 OE1 GLU A 10 -8.419 7.454 6.864 1.00 0.00 O ATOM 109 OE2 GLU A 10 -7.924 6.014 8.449 1.00 0.00 O ATOM 0 H GLU A 10 -11.800 10.084 9.411 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.773 7.374 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.867 9.158 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.354 10.065 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.395 8.973 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.068 7.865 10.078 1.00 0.00 H new ATOM 116 N TRP A 11 -9.504 7.361 11.759 1.00 0.00 N ATOM 117 CA TRP A 11 -9.064 7.226 13.143 1.00 0.00 C ATOM 118 C TRP A 11 -7.673 7.821 13.333 1.00 0.00 C ATOM 119 O TRP A 11 -6.707 7.097 13.573 1.00 0.00 O ATOM 120 CB TRP A 11 -9.064 5.754 13.559 1.00 0.00 C ATOM 121 CG TRP A 11 -9.564 5.530 14.954 1.00 0.00 C ATOM 122 CD1 TRP A 11 -10.125 4.388 15.450 1.00 0.00 C ATOM 123 CD2 TRP A 11 -9.551 6.474 16.030 1.00 0.00 C ATOM 124 NE1 TRP A 11 -10.461 4.565 16.770 1.00 0.00 N ATOM 125 CE2 TRP A 11 -10.118 5.835 17.151 1.00 0.00 C ATOM 126 CE3 TRP A 11 -9.113 7.795 16.158 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -10.259 6.475 18.379 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -9.254 8.428 17.378 1.00 0.00 C ATOM 129 CH2 TRP A 11 -9.822 7.768 18.476 1.00 0.00 C ATOM 0 H TRP A 11 -9.191 6.612 11.142 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.762 7.775 13.775 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -9.683 5.188 12.864 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.051 5.361 13.477 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -10.281 3.480 14.887 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -10.896 3.864 17.370 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.672 8.312 15.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.698 5.969 19.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -8.921 9.449 17.487 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.917 8.290 19.417 1.00 0.00 H new ATOM 140 N GLN A 12 -7.579 9.142 13.223 1.00 0.00 N ATOM 141 CA GLN A 12 -6.305 9.832 13.382 1.00 0.00 C ATOM 142 C GLN A 12 -6.500 11.189 14.051 1.00 0.00 C ATOM 143 O GLN A 12 -7.005 12.127 13.436 1.00 0.00 O ATOM 144 CB GLN A 12 -5.626 10.014 12.023 1.00 0.00 C ATOM 145 CG GLN A 12 -4.263 10.682 12.109 1.00 0.00 C ATOM 146 CD GLN A 12 -3.415 10.438 10.876 1.00 0.00 C ATOM 147 OE1 GLN A 12 -2.317 9.888 10.963 1.00 0.00 O ATOM 148 NE2 GLN A 12 -3.921 10.846 9.718 1.00 0.00 N ATOM 0 H GLN A 12 -8.369 9.755 13.025 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.667 9.221 14.020 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.514 9.039 11.548 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.273 10.610 11.379 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.396 11.755 12.247 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.735 10.311 12.988 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.835 11.298 9.692 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.395 10.708 8.855 1.00 0.00 H new ATOM 157 N GLN A 13 -6.097 11.283 15.314 1.00 0.00 N ATOM 158 CA GLN A 13 -6.230 12.525 16.067 1.00 0.00 C ATOM 159 C GLN A 13 -5.039 12.727 16.998 1.00 0.00 C ATOM 160 O GLN A 13 -4.700 11.845 17.788 1.00 0.00 O ATOM 161 CB GLN A 13 -7.529 12.521 16.875 1.00 0.00 C ATOM 162 CG GLN A 13 -8.722 13.073 16.111 1.00 0.00 C ATOM 163 CD GLN A 13 -10.024 12.916 16.870 1.00 0.00 C ATOM 164 OE1 GLN A 13 -10.269 11.886 17.499 1.00 0.00 O ATOM 165 NE2 GLN A 13 -10.869 13.939 16.816 1.00 0.00 N ATOM 0 H GLN A 13 -5.676 10.515 15.837 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.256 13.350 15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.749 11.500 17.188 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.385 13.109 17.782 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.555 14.129 15.898 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.802 12.563 15.151 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.626 14.774 16.283 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.761 13.890 17.308 1.00 0.00 H new ATOM 174 N ARG A 14 -4.408 13.892 16.900 1.00 0.00 N ATOM 175 CA ARG A 14 -3.254 14.209 17.732 1.00 0.00 C ATOM 176 C ARG A 14 -2.141 13.185 17.531 1.00 0.00 C ATOM 177 O ARG A 14 -1.611 12.633 18.495 1.00 0.00 O ATOM 178 CB ARG A 14 -3.659 14.254 19.207 1.00 0.00 C ATOM 179 CG ARG A 14 -2.583 14.825 20.117 1.00 0.00 C ATOM 180 CD ARG A 14 -2.514 16.341 20.015 1.00 0.00 C ATOM 181 NE ARG A 14 -3.755 16.976 20.451 1.00 0.00 N ATOM 182 CZ ARG A 14 -3.849 18.261 20.773 1.00 0.00 C ATOM 183 NH1 ARG A 14 -2.781 19.044 20.707 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.013 18.766 21.161 1.00 0.00 N ATOM 0 H ARG A 14 -4.677 14.633 16.252 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.881 15.189 17.434 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.564 14.853 19.308 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.905 13.245 19.538 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.787 14.538 21.148 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.616 14.397 19.852 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.686 16.708 20.622 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.304 16.626 18.984 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.595 16.401 20.511 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.885 18.660 20.408 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.856 20.031 20.955 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.837 18.167 21.212 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.084 19.753 21.408 1.00 0.00 H new ATOM 198 N GLU A 15 -1.793 12.936 16.272 1.00 0.00 N ATOM 199 CA GLU A 15 -0.744 11.977 15.946 1.00 0.00 C ATOM 200 C GLU A 15 0.495 12.212 16.804 1.00 0.00 C ATOM 201 O GLU A 15 0.921 13.351 16.999 1.00 0.00 O ATOM 202 CB GLU A 15 -0.377 12.074 14.464 1.00 0.00 C ATOM 203 CG GLU A 15 0.804 11.202 14.070 1.00 0.00 C ATOM 204 CD GLU A 15 2.133 11.915 14.227 1.00 0.00 C ATOM 205 OE1 GLU A 15 2.331 12.953 13.560 1.00 0.00 O ATOM 206 OE2 GLU A 15 2.975 11.436 15.014 1.00 0.00 O ATOM 0 H GLU A 15 -2.222 13.385 15.462 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.124 10.977 16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.242 11.791 13.865 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.148 13.112 14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.805 10.300 14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.687 10.884 13.034 1.00 0.00 H new ATOM 213 N ARG A 16 1.068 11.128 17.316 1.00 0.00 N ATOM 214 CA ARG A 16 2.257 11.216 18.155 1.00 0.00 C ATOM 215 C ARG A 16 3.167 10.010 17.936 1.00 0.00 C ATOM 216 O ARG A 16 2.766 8.868 18.158 1.00 0.00 O ATOM 217 CB ARG A 16 1.861 11.308 19.630 1.00 0.00 C ATOM 218 CG ARG A 16 1.137 10.074 20.144 1.00 0.00 C ATOM 219 CD ARG A 16 0.374 10.370 21.425 1.00 0.00 C ATOM 220 NE ARG A 16 -0.924 10.986 21.160 1.00 0.00 N ATOM 221 CZ ARG A 16 -1.916 11.017 22.042 1.00 0.00 C ATOM 222 NH1 ARG A 16 -1.760 10.471 23.241 1.00 0.00 N ATOM 223 NH2 ARG A 16 -3.068 11.596 21.727 1.00 0.00 N ATOM 0 H ARG A 16 0.728 10.178 17.165 1.00 0.00 H new ATOM 0 HA ARG A 16 2.803 12.117 17.875 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.757 11.469 20.229 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.222 12.180 19.772 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.446 9.713 19.383 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.858 9.276 20.324 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.229 9.445 21.982 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.967 11.032 22.055 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.076 11.416 20.248 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.876 10.026 23.488 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.524 10.497 23.916 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.192 12.018 20.807 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.829 11.619 22.405 1.00 0.00 H new ATOM 237 N ARG A 17 4.395 10.274 17.499 1.00 0.00 N ATOM 238 CA ARG A 17 5.361 9.211 17.248 1.00 0.00 C ATOM 239 C ARG A 17 6.771 9.659 17.623 1.00 0.00 C ATOM 240 O ARG A 17 6.986 10.809 18.006 1.00 0.00 O ATOM 241 CB ARG A 17 5.321 8.793 15.777 1.00 0.00 C ATOM 242 CG ARG A 17 3.926 8.454 15.278 1.00 0.00 C ATOM 243 CD ARG A 17 3.526 7.038 15.660 1.00 0.00 C ATOM 244 NE ARG A 17 2.096 6.803 15.473 1.00 0.00 N ATOM 245 CZ ARG A 17 1.552 5.593 15.414 1.00 0.00 C ATOM 246 NH1 ARG A 17 2.314 4.513 15.527 1.00 0.00 N ATOM 247 NH2 ARG A 17 0.243 5.461 15.241 1.00 0.00 N ATOM 0 H ARG A 17 4.744 11.214 17.312 1.00 0.00 H new ATOM 0 HA ARG A 17 5.093 8.356 17.868 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.730 9.599 15.168 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.968 7.927 15.636 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.208 9.161 15.694 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.890 8.564 14.194 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.092 6.327 15.058 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.790 6.855 16.702 1.00 0.00 H new ATOM 0 HE ARG A 17 1.482 7.613 15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.321 4.611 15.660 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.893 3.585 15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.346 6.289 15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.174 4.531 15.196 1.00 0.00 H new ATOM 261 N ARG A 18 7.727 8.743 17.508 1.00 0.00 N ATOM 262 CA ARG A 18 9.115 9.043 17.836 1.00 0.00 C ATOM 263 C ARG A 18 10.031 8.743 16.653 1.00 0.00 C ATOM 264 O ARG A 18 10.698 9.635 16.129 1.00 0.00 O ATOM 265 CB ARG A 18 9.560 8.235 19.056 1.00 0.00 C ATOM 266 CG ARG A 18 9.030 8.778 20.373 1.00 0.00 C ATOM 267 CD ARG A 18 9.919 9.886 20.917 1.00 0.00 C ATOM 268 NE ARG A 18 11.278 9.418 21.178 1.00 0.00 N ATOM 269 CZ ARG A 18 12.141 10.064 21.953 1.00 0.00 C ATOM 270 NH1 ARG A 18 11.789 11.199 22.541 1.00 0.00 N ATOM 271 NH2 ARG A 18 13.360 9.575 22.142 1.00 0.00 N ATOM 0 H ARG A 18 7.566 7.787 17.190 1.00 0.00 H new ATOM 0 HA ARG A 18 9.185 10.106 18.067 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.228 7.203 18.938 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.649 8.218 19.092 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.019 9.159 20.230 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.967 7.970 21.102 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.950 10.709 20.204 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.487 10.278 21.838 1.00 0.00 H new ATOM 0 HE ARG A 18 11.580 8.547 20.741 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.853 11.578 22.399 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.454 11.693 23.136 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.635 8.702 21.692 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.022 10.072 22.738 1.00 0.00 H new ATOM 285 N TYR A 19 10.057 7.481 16.237 1.00 0.00 N ATOM 286 CA TYR A 19 10.892 7.063 15.118 1.00 0.00 C ATOM 287 C TYR A 19 10.302 7.533 13.792 1.00 0.00 C ATOM 288 O TYR A 19 9.086 7.525 13.602 1.00 0.00 O ATOM 289 CB TYR A 19 11.045 5.541 15.110 1.00 0.00 C ATOM 290 CG TYR A 19 11.918 5.014 16.227 1.00 0.00 C ATOM 291 CD1 TYR A 19 11.687 5.379 17.547 1.00 0.00 C ATOM 292 CD2 TYR A 19 12.973 4.150 15.961 1.00 0.00 C ATOM 293 CE1 TYR A 19 12.482 4.901 18.570 1.00 0.00 C ATOM 294 CE2 TYR A 19 13.773 3.665 16.978 1.00 0.00 C ATOM 295 CZ TYR A 19 13.524 4.044 18.281 1.00 0.00 C ATOM 296 OH TYR A 19 14.318 3.564 19.297 1.00 0.00 O ATOM 0 H TYR A 19 9.509 6.731 16.658 1.00 0.00 H new ATOM 0 HA TYR A 19 11.874 7.520 15.240 1.00 0.00 H new ATOM 0 HB2 TYR A 19 10.058 5.085 15.186 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.467 5.232 14.154 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.871 6.048 17.777 1.00 0.00 H new ATOM 0 HD2 TYR A 19 13.171 3.852 14.942 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.289 5.196 19.591 1.00 0.00 H new ATOM 0 HE2 TYR A 19 14.588 2.993 16.754 1.00 0.00 H new ATOM 0 HH TYR A 19 15.004 2.972 18.924 1.00 0.00 H new ATOM 306 N LYS A 20 11.174 7.941 12.876 1.00 0.00 N ATOM 307 CA LYS A 20 10.742 8.414 11.566 1.00 0.00 C ATOM 308 C LYS A 20 11.625 7.839 10.463 1.00 0.00 C ATOM 309 O LYS A 20 12.844 7.747 10.614 1.00 0.00 O ATOM 310 CB LYS A 20 10.775 9.943 11.516 1.00 0.00 C ATOM 311 CG LYS A 20 10.233 10.521 10.220 1.00 0.00 C ATOM 312 CD LYS A 20 10.213 12.040 10.252 1.00 0.00 C ATOM 313 CE LYS A 20 10.294 12.628 8.852 1.00 0.00 C ATOM 314 NZ LYS A 20 11.661 12.501 8.275 1.00 0.00 N ATOM 0 H LYS A 20 12.184 7.954 13.017 1.00 0.00 H new ATOM 0 HA LYS A 20 9.719 8.074 11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.196 10.338 12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.802 10.281 11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.846 10.182 9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.224 10.147 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.300 12.383 10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.049 12.403 10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.578 12.123 8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.009 13.680 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.591 12.317 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.188 13.384 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.160 11.713 8.735 1.00 0.00 H new ATOM 328 N CYS A 21 11.003 7.456 9.353 1.00 0.00 N ATOM 329 CA CYS A 21 11.732 6.891 8.223 1.00 0.00 C ATOM 330 C CYS A 21 12.128 7.982 7.232 1.00 0.00 C ATOM 331 O CYS A 21 11.542 8.099 6.155 1.00 0.00 O ATOM 332 CB CYS A 21 10.882 5.831 7.520 1.00 0.00 C ATOM 333 SG CYS A 21 11.832 4.717 6.435 1.00 0.00 S ATOM 0 H CYS A 21 9.995 7.527 9.212 1.00 0.00 H new ATOM 0 HA CYS A 21 12.640 6.424 8.604 1.00 0.00 H new ATOM 0 HB2 CYS A 21 10.367 5.235 8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 21 10.114 6.330 6.928 1.00 0.00 H new ATOM 338 N ASP A 22 13.126 8.776 7.603 1.00 0.00 N ATOM 339 CA ASP A 22 13.602 9.857 6.746 1.00 0.00 C ATOM 340 C ASP A 22 13.551 9.448 5.277 1.00 0.00 C ATOM 341 O ASP A 22 13.320 10.279 4.400 1.00 0.00 O ATOM 342 CB ASP A 22 15.029 10.250 7.130 1.00 0.00 C ATOM 343 CG ASP A 22 16.059 9.264 6.615 1.00 0.00 C ATOM 344 OD1 ASP A 22 16.125 8.138 7.152 1.00 0.00 O ATOM 345 OD2 ASP A 22 16.799 9.618 5.674 1.00 0.00 O ATOM 0 H ASP A 22 13.621 8.692 8.491 1.00 0.00 H new ATOM 0 HA ASP A 22 12.946 10.716 6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.249 11.241 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.105 10.317 8.215 1.00 0.00 H new ATOM 350 N GLU A 23 13.771 8.163 5.018 1.00 0.00 N ATOM 351 CA GLU A 23 13.752 7.645 3.655 1.00 0.00 C ATOM 352 C GLU A 23 12.513 8.128 2.907 1.00 0.00 C ATOM 353 O GLU A 23 12.613 8.704 1.823 1.00 0.00 O ATOM 354 CB GLU A 23 13.791 6.115 3.666 1.00 0.00 C ATOM 355 CG GLU A 23 15.198 5.543 3.643 1.00 0.00 C ATOM 356 CD GLU A 23 15.211 4.026 3.640 1.00 0.00 C ATOM 357 OE1 GLU A 23 14.452 3.425 4.429 1.00 0.00 O ATOM 358 OE2 GLU A 23 15.980 3.441 2.849 1.00 0.00 O ATOM 0 H GLU A 23 13.964 7.462 5.733 1.00 0.00 H new ATOM 0 HA GLU A 23 14.636 8.020 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.275 5.753 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.241 5.740 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.721 5.909 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.748 5.906 4.511 1.00 0.00 H new ATOM 365 N CYS A 24 11.344 7.888 3.493 1.00 0.00 N ATOM 366 CA CYS A 24 10.084 8.296 2.883 1.00 0.00 C ATOM 367 C CYS A 24 9.454 9.450 3.657 1.00 0.00 C ATOM 368 O CYS A 24 9.044 10.452 3.074 1.00 0.00 O ATOM 369 CB CYS A 24 9.114 7.114 2.828 1.00 0.00 C ATOM 370 SG CYS A 24 8.963 6.202 4.397 1.00 0.00 S ATOM 0 H CYS A 24 11.244 7.413 4.390 1.00 0.00 H new ATOM 0 HA CYS A 24 10.293 8.634 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.129 7.479 2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.442 6.425 2.050 1.00 0.00 H new ATOM 375 N GLY A 25 9.381 9.300 4.977 1.00 0.00 N ATOM 376 CA GLY A 25 8.799 10.336 5.810 1.00 0.00 C ATOM 377 C GLY A 25 7.681 9.814 6.689 1.00 0.00 C ATOM 378 O GLY A 25 6.764 10.554 7.047 1.00 0.00 O ATOM 0 H GLY A 25 9.714 8.480 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.576 10.773 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.415 11.135 5.176 1.00 0.00 H new ATOM 382 N LYS A 26 7.753 8.534 7.038 1.00 0.00 N ATOM 383 CA LYS A 26 6.739 7.911 7.881 1.00 0.00 C ATOM 384 C LYS A 26 7.208 7.835 9.330 1.00 0.00 C ATOM 385 O LYS A 26 8.363 8.133 9.635 1.00 0.00 O ATOM 386 CB LYS A 26 6.410 6.508 7.366 1.00 0.00 C ATOM 387 CG LYS A 26 5.267 6.480 6.366 1.00 0.00 C ATOM 388 CD LYS A 26 5.437 5.358 5.355 1.00 0.00 C ATOM 389 CE LYS A 26 5.206 3.996 5.990 1.00 0.00 C ATOM 390 NZ LYS A 26 4.679 3.009 5.007 1.00 0.00 N ATOM 0 H LYS A 26 8.504 7.907 6.750 1.00 0.00 H new ATOM 0 HA LYS A 26 5.840 8.526 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.299 6.083 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.157 5.869 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.322 6.354 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.215 7.436 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.737 5.500 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.440 5.398 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.142 3.627 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.503 4.095 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.178 2.250 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.022 3.484 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.469 2.602 4.466 1.00 0.00 H new ATOM 404 N SER A 27 6.305 7.434 10.219 1.00 0.00 N ATOM 405 CA SER A 27 6.626 7.321 11.637 1.00 0.00 C ATOM 406 C SER A 27 5.838 6.186 12.284 1.00 0.00 C ATOM 407 O SER A 27 4.710 5.893 11.888 1.00 0.00 O ATOM 408 CB SER A 27 6.327 8.638 12.356 1.00 0.00 C ATOM 409 OG SER A 27 4.968 9.007 12.200 1.00 0.00 O ATOM 0 H SER A 27 5.345 7.182 9.982 1.00 0.00 H new ATOM 0 HA SER A 27 7.689 7.099 11.726 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.561 8.538 13.416 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.969 9.426 11.961 1.00 0.00 H new ATOM 0 HG SER A 27 4.775 9.788 12.760 1.00 0.00 H new ATOM 415 N PHE A 28 6.442 5.548 13.281 1.00 0.00 N ATOM 416 CA PHE A 28 5.799 4.444 13.984 1.00 0.00 C ATOM 417 C PHE A 28 6.098 4.502 15.479 1.00 0.00 C ATOM 418 O PHE A 28 7.044 5.162 15.908 1.00 0.00 O ATOM 419 CB PHE A 28 6.268 3.105 13.410 1.00 0.00 C ATOM 420 CG PHE A 28 6.099 2.998 11.922 1.00 0.00 C ATOM 421 CD1 PHE A 28 6.918 3.714 11.065 1.00 0.00 C ATOM 422 CD2 PHE A 28 5.119 2.181 11.380 1.00 0.00 C ATOM 423 CE1 PHE A 28 6.765 3.618 9.694 1.00 0.00 C ATOM 424 CE2 PHE A 28 4.962 2.080 10.011 1.00 0.00 C ATOM 425 CZ PHE A 28 5.785 2.800 9.167 1.00 0.00 C ATOM 0 H PHE A 28 7.376 5.777 13.620 1.00 0.00 H new ATOM 0 HA PHE A 28 4.722 4.535 13.844 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.319 2.960 13.659 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.713 2.299 13.889 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.686 4.355 11.472 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.471 1.617 12.035 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.411 4.182 9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.196 1.438 9.601 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.662 2.723 8.097 1.00 0.00 H new ATOM 435 N SER A 29 5.282 3.808 16.267 1.00 0.00 N ATOM 436 CA SER A 29 5.456 3.784 17.714 1.00 0.00 C ATOM 437 C SER A 29 6.535 2.783 18.116 1.00 0.00 C ATOM 438 O SER A 29 7.397 3.081 18.943 1.00 0.00 O ATOM 439 CB SER A 29 4.135 3.431 18.401 1.00 0.00 C ATOM 440 OG SER A 29 3.117 4.355 18.056 1.00 0.00 O ATOM 0 H SER A 29 4.495 3.256 15.927 1.00 0.00 H new ATOM 0 HA SER A 29 5.770 4.777 18.034 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.830 2.425 18.114 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.274 3.425 19.482 1.00 0.00 H new ATOM 0 HG SER A 29 2.283 4.106 18.506 1.00 0.00 H new ATOM 446 N HIS A 30 6.479 1.594 17.524 1.00 0.00 N ATOM 447 CA HIS A 30 7.452 0.548 17.819 1.00 0.00 C ATOM 448 C HIS A 30 8.531 0.491 16.742 1.00 0.00 C ATOM 449 O HIS A 30 8.248 0.654 15.556 1.00 0.00 O ATOM 450 CB HIS A 30 6.755 -0.809 17.931 1.00 0.00 C ATOM 451 CG HIS A 30 7.424 -1.749 18.885 1.00 0.00 C ATOM 452 ND1 HIS A 30 8.352 -2.689 18.488 1.00 0.00 N ATOM 453 CD2 HIS A 30 7.298 -1.890 20.225 1.00 0.00 C ATOM 454 CE1 HIS A 30 8.766 -3.369 19.543 1.00 0.00 C ATOM 455 NE2 HIS A 30 8.142 -2.903 20.609 1.00 0.00 N ATOM 0 H HIS A 30 5.771 1.331 16.838 1.00 0.00 H new ATOM 0 HA HIS A 30 7.926 0.785 18.772 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.724 -0.654 18.250 1.00 0.00 H new ATOM 0 HB3 HIS A 30 6.717 -1.271 16.945 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.654 -1.313 20.872 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.491 -4.169 19.534 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.267 -3.241 21.563 1.00 0.00 H new ATOM 463 N SER A 31 9.770 0.258 17.165 1.00 0.00 N ATOM 464 CA SER A 31 10.893 0.184 16.237 1.00 0.00 C ATOM 465 C SER A 31 10.780 -1.048 15.344 1.00 0.00 C ATOM 466 O SER A 31 10.946 -0.963 14.128 1.00 0.00 O ATOM 467 CB SER A 31 12.215 0.151 17.006 1.00 0.00 C ATOM 468 OG SER A 31 12.233 -0.910 17.945 1.00 0.00 O ATOM 0 H SER A 31 10.021 0.117 18.144 1.00 0.00 H new ATOM 0 HA SER A 31 10.870 1.072 15.605 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.043 0.036 16.307 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.363 1.100 17.522 1.00 0.00 H new ATOM 0 HG SER A 31 13.089 -0.910 18.422 1.00 0.00 H new ATOM 474 N SER A 32 10.495 -2.192 15.958 1.00 0.00 N ATOM 475 CA SER A 32 10.363 -3.443 15.221 1.00 0.00 C ATOM 476 C SER A 32 9.528 -3.244 13.959 1.00 0.00 C ATOM 477 O SER A 32 9.903 -3.694 12.876 1.00 0.00 O ATOM 478 CB SER A 32 9.725 -4.516 16.105 1.00 0.00 C ATOM 479 OG SER A 32 9.861 -5.802 15.526 1.00 0.00 O ATOM 0 H SER A 32 10.351 -2.278 16.964 1.00 0.00 H new ATOM 0 HA SER A 32 11.360 -3.771 14.928 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.193 -4.506 17.089 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.669 -4.290 16.252 1.00 0.00 H new ATOM 0 HG SER A 32 9.446 -6.470 16.111 1.00 0.00 H new ATOM 485 N ASP A 33 8.395 -2.568 14.109 1.00 0.00 N ATOM 486 CA ASP A 33 7.505 -2.308 12.982 1.00 0.00 C ATOM 487 C ASP A 33 8.231 -1.538 11.883 1.00 0.00 C ATOM 488 O ASP A 33 8.310 -1.991 10.741 1.00 0.00 O ATOM 489 CB ASP A 33 6.277 -1.524 13.445 1.00 0.00 C ATOM 490 CG ASP A 33 5.346 -2.359 14.303 1.00 0.00 C ATOM 491 OD1 ASP A 33 4.987 -3.475 13.874 1.00 0.00 O ATOM 492 OD2 ASP A 33 4.976 -1.896 15.402 1.00 0.00 O ATOM 0 H ASP A 33 8.070 -2.190 14.999 1.00 0.00 H new ATOM 0 HA ASP A 33 7.182 -3.267 12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.600 -0.649 14.010 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.733 -1.158 12.574 1.00 0.00 H new ATOM 497 N LEU A 34 8.759 -0.371 12.236 1.00 0.00 N ATOM 498 CA LEU A 34 9.478 0.464 11.279 1.00 0.00 C ATOM 499 C LEU A 34 10.516 -0.352 10.516 1.00 0.00 C ATOM 500 O LEU A 34 10.603 -0.274 9.291 1.00 0.00 O ATOM 501 CB LEU A 34 10.158 1.630 12.000 1.00 0.00 C ATOM 502 CG LEU A 34 11.172 2.426 11.179 1.00 0.00 C ATOM 503 CD1 LEU A 34 10.493 3.090 9.990 1.00 0.00 C ATOM 504 CD2 LEU A 34 11.864 3.466 12.048 1.00 0.00 C ATOM 0 H LEU A 34 8.703 0.018 13.177 1.00 0.00 H new ATOM 0 HA LEU A 34 8.756 0.858 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.386 2.315 12.350 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.662 1.240 12.884 1.00 0.00 H new ATOM 0 HG LEU A 34 11.927 1.736 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.230 3.652 9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.045 2.327 9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.717 3.767 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.582 4.023 11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.122 4.153 12.455 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.385 2.968 12.866 1.00 0.00 H new ATOM 516 N SER A 35 11.299 -1.137 11.249 1.00 0.00 N ATOM 517 CA SER A 35 12.333 -1.968 10.642 1.00 0.00 C ATOM 518 C SER A 35 11.765 -2.779 9.482 1.00 0.00 C ATOM 519 O SER A 35 12.329 -2.799 8.388 1.00 0.00 O ATOM 520 CB SER A 35 12.941 -2.906 11.686 1.00 0.00 C ATOM 521 OG SER A 35 14.075 -3.579 11.167 1.00 0.00 O ATOM 0 H SER A 35 11.237 -1.215 12.264 1.00 0.00 H new ATOM 0 HA SER A 35 13.113 -1.312 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.226 -2.336 12.570 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.195 -3.635 12.003 1.00 0.00 H new ATOM 0 HG SER A 35 14.447 -4.171 11.854 1.00 0.00 H new ATOM 527 N LYS A 36 10.644 -3.448 9.728 1.00 0.00 N ATOM 528 CA LYS A 36 9.996 -4.261 8.706 1.00 0.00 C ATOM 529 C LYS A 36 9.531 -3.398 7.538 1.00 0.00 C ATOM 530 O LYS A 36 9.689 -3.771 6.375 1.00 0.00 O ATOM 531 CB LYS A 36 8.806 -5.015 9.303 1.00 0.00 C ATOM 532 CG LYS A 36 9.195 -6.007 10.385 1.00 0.00 C ATOM 533 CD LYS A 36 8.163 -7.114 10.525 1.00 0.00 C ATOM 534 CE LYS A 36 8.282 -7.821 11.866 1.00 0.00 C ATOM 535 NZ LYS A 36 9.590 -8.519 12.011 1.00 0.00 N ATOM 0 H LYS A 36 10.165 -3.443 10.628 1.00 0.00 H new ATOM 0 HA LYS A 36 10.725 -4.981 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.102 -4.294 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.286 -5.546 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.166 -6.442 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.302 -5.486 11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.162 -6.695 10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.291 -7.836 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.167 -7.095 12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.472 -8.543 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.612 -9.031 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.712 -9.194 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.360 -7.821 11.989 1.00 0.00 H new ATOM 549 N HIS A 37 8.958 -2.241 7.855 1.00 0.00 N ATOM 550 CA HIS A 37 8.471 -1.323 6.831 1.00 0.00 C ATOM 551 C HIS A 37 9.587 -0.953 5.858 1.00 0.00 C ATOM 552 O HIS A 37 9.442 -1.104 4.645 1.00 0.00 O ATOM 553 CB HIS A 37 7.902 -0.060 7.477 1.00 0.00 C ATOM 554 CG HIS A 37 7.998 1.154 6.605 1.00 0.00 C ATOM 555 ND1 HIS A 37 7.300 1.289 5.424 1.00 0.00 N ATOM 556 CD2 HIS A 37 8.715 2.294 6.749 1.00 0.00 C ATOM 557 CE1 HIS A 37 7.584 2.458 4.878 1.00 0.00 C ATOM 558 NE2 HIS A 37 8.440 3.087 5.663 1.00 0.00 N ATOM 0 H HIS A 37 8.820 -1.917 8.812 1.00 0.00 H new ATOM 0 HA HIS A 37 7.680 -1.825 6.275 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.856 -0.232 7.733 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.431 0.131 8.411 1.00 0.00 H new ATOM 0 HD1 HIS A 37 6.664 0.595 5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.379 2.534 7.566 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.184 2.835 3.948 1.00 0.00 H new ATOM 566 N ARG A 38 10.700 -0.467 6.399 1.00 0.00 N ATOM 567 CA ARG A 38 11.839 -0.074 5.579 1.00 0.00 C ATOM 568 C ARG A 38 12.042 -1.051 4.425 1.00 0.00 C ATOM 569 O ARG A 38 12.546 -0.680 3.365 1.00 0.00 O ATOM 570 CB ARG A 38 13.108 -0.004 6.431 1.00 0.00 C ATOM 571 CG ARG A 38 13.392 1.381 6.989 1.00 0.00 C ATOM 572 CD ARG A 38 14.058 1.306 8.354 1.00 0.00 C ATOM 573 NE ARG A 38 15.515 1.300 8.253 1.00 0.00 N ATOM 574 CZ ARG A 38 16.321 1.673 9.240 1.00 0.00 C ATOM 575 NH1 ARG A 38 15.815 2.080 10.397 1.00 0.00 N ATOM 576 NH2 ARG A 38 17.637 1.640 9.072 1.00 0.00 N ATOM 0 H ARG A 38 10.837 -0.336 7.401 1.00 0.00 H new ATOM 0 HA ARG A 38 11.632 0.913 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.019 -0.708 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.958 -0.325 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.035 1.928 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.460 1.941 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.740 2.155 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.727 0.405 8.870 1.00 0.00 H new ATOM 0 HE ARG A 38 15.936 0.993 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.804 2.107 10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.437 2.366 11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.030 1.328 8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.255 1.927 9.831 1.00 0.00 H new ATOM 590 N ARG A 39 11.647 -2.302 4.639 1.00 0.00 N ATOM 591 CA ARG A 39 11.786 -3.333 3.618 1.00 0.00 C ATOM 592 C ARG A 39 11.149 -2.888 2.305 1.00 0.00 C ATOM 593 O ARG A 39 11.744 -3.024 1.235 1.00 0.00 O ATOM 594 CB ARG A 39 11.146 -4.639 4.091 1.00 0.00 C ATOM 595 CG ARG A 39 11.814 -5.236 5.319 1.00 0.00 C ATOM 596 CD ARG A 39 11.119 -6.512 5.767 1.00 0.00 C ATOM 597 NE ARG A 39 11.449 -7.646 4.908 1.00 0.00 N ATOM 598 CZ ARG A 39 12.660 -8.188 4.839 1.00 0.00 C ATOM 599 NH1 ARG A 39 13.650 -7.703 5.576 1.00 0.00 N ATOM 600 NH2 ARG A 39 12.882 -9.218 4.033 1.00 0.00 N ATOM 0 H ARG A 39 11.228 -2.626 5.511 1.00 0.00 H new ATOM 0 HA ARG A 39 12.850 -3.499 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.094 -4.459 4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.181 -5.366 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.860 -5.449 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.801 -4.509 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.406 -6.740 6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.040 -6.357 5.764 1.00 0.00 H new ATOM 0 HE ARG A 39 10.709 -8.044 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.483 -6.912 6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.579 -8.121 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.123 -9.594 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.812 -9.633 3.981 1.00 0.00 H new ATOM 614 N THR A 40 9.935 -2.354 2.394 1.00 0.00 N ATOM 615 CA THR A 40 9.216 -1.890 1.214 1.00 0.00 C ATOM 616 C THR A 40 10.130 -1.093 0.291 1.00 0.00 C ATOM 617 O THR A 40 9.924 -1.055 -0.923 1.00 0.00 O ATOM 618 CB THR A 40 8.007 -1.016 1.600 1.00 0.00 C ATOM 619 OG1 THR A 40 7.326 -0.574 0.421 1.00 0.00 O ATOM 620 CG2 THR A 40 8.449 0.188 2.418 1.00 0.00 C ATOM 0 H THR A 40 9.429 -2.232 3.271 1.00 0.00 H new ATOM 0 HA THR A 40 8.861 -2.778 0.691 1.00 0.00 H new ATOM 0 HB THR A 40 7.330 -1.618 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.373 -0.458 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.579 0.790 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.941 -0.152 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.144 0.790 1.833 1.00 0.00 H new ATOM 628 N HIS A 41 11.142 -0.457 0.873 1.00 0.00 N ATOM 629 CA HIS A 41 12.090 0.339 0.101 1.00 0.00 C ATOM 630 C HIS A 41 13.052 -0.560 -0.671 1.00 0.00 C ATOM 631 O HIS A 41 14.191 -0.773 -0.254 1.00 0.00 O ATOM 632 CB HIS A 41 12.875 1.272 1.023 1.00 0.00 C ATOM 633 CG HIS A 41 12.005 2.121 1.897 1.00 0.00 C ATOM 634 ND1 HIS A 41 10.915 2.820 1.422 1.00 0.00 N ATOM 635 CD2 HIS A 41 12.067 2.381 3.224 1.00 0.00 C ATOM 636 CE1 HIS A 41 10.346 3.474 2.419 1.00 0.00 C ATOM 637 NE2 HIS A 41 11.026 3.225 3.523 1.00 0.00 N ATOM 0 H HIS A 41 11.327 -0.477 1.876 1.00 0.00 H new ATOM 0 HA HIS A 41 11.526 0.938 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 41 13.536 0.676 1.652 1.00 0.00 H new ATOM 0 HB3 HIS A 41 13.509 1.919 0.417 1.00 0.00 H new ATOM 0 HD1 HIS A 41 10.598 2.830 0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.799 1.996 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.473 4.105 2.344 1.00 0.00 H new ATOM 645 N THR A 42 12.586 -1.086 -1.800 1.00 0.00 N ATOM 646 CA THR A 42 13.403 -1.962 -2.629 1.00 0.00 C ATOM 647 C THR A 42 12.714 -2.264 -3.955 1.00 0.00 C ATOM 648 O THR A 42 11.559 -2.685 -3.984 1.00 0.00 O ATOM 649 CB THR A 42 13.711 -3.289 -1.910 1.00 0.00 C ATOM 650 OG1 THR A 42 14.521 -4.123 -2.746 1.00 0.00 O ATOM 651 CG2 THR A 42 12.426 -4.020 -1.549 1.00 0.00 C ATOM 0 H THR A 42 11.646 -0.920 -2.161 1.00 0.00 H new ATOM 0 HA THR A 42 14.338 -1.435 -2.820 1.00 0.00 H new ATOM 0 HB THR A 42 14.252 -3.062 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.714 -4.964 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.669 -4.954 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.825 -3.395 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.863 -4.236 -2.457 1.00 0.00 H new ATOM 659 N GLY A 43 13.433 -2.046 -5.053 1.00 0.00 N ATOM 660 CA GLY A 43 12.874 -2.301 -6.368 1.00 0.00 C ATOM 661 C GLY A 43 12.817 -1.052 -7.225 1.00 0.00 C ATOM 662 O GLY A 43 13.446 -0.044 -6.907 1.00 0.00 O ATOM 0 H GLY A 43 14.392 -1.698 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.473 -3.058 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.869 -2.710 -6.259 1.00 0.00 H new ATOM 666 N GLU A 44 12.062 -1.120 -8.317 1.00 0.00 N ATOM 667 CA GLU A 44 11.928 0.014 -9.224 1.00 0.00 C ATOM 668 C GLU A 44 10.623 0.763 -8.971 1.00 0.00 C ATOM 669 O GLU A 44 9.907 1.122 -9.906 1.00 0.00 O ATOM 670 CB GLU A 44 11.983 -0.458 -10.679 1.00 0.00 C ATOM 671 CG GLU A 44 13.333 -1.026 -11.083 1.00 0.00 C ATOM 672 CD GLU A 44 13.278 -1.783 -12.396 1.00 0.00 C ATOM 673 OE1 GLU A 44 12.720 -1.240 -13.372 1.00 0.00 O ATOM 674 OE2 GLU A 44 13.793 -2.920 -12.446 1.00 0.00 O ATOM 0 H GLU A 44 11.534 -1.948 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 44 12.759 0.694 -9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.217 -1.218 -10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.740 0.379 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.055 -0.213 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.692 -1.692 -10.299 1.00 0.00 H new ATOM 681 N LYS A 45 10.318 0.994 -7.698 1.00 0.00 N ATOM 682 CA LYS A 45 9.100 1.700 -7.319 1.00 0.00 C ATOM 683 C LYS A 45 9.424 3.080 -6.754 1.00 0.00 C ATOM 684 O LYS A 45 9.429 3.295 -5.542 1.00 0.00 O ATOM 685 CB LYS A 45 8.314 0.887 -6.288 1.00 0.00 C ATOM 686 CG LYS A 45 7.401 -0.158 -6.905 1.00 0.00 C ATOM 687 CD LYS A 45 8.191 -1.336 -7.451 1.00 0.00 C ATOM 688 CE LYS A 45 7.329 -2.221 -8.339 1.00 0.00 C ATOM 689 NZ LYS A 45 6.433 -3.102 -7.542 1.00 0.00 N ATOM 0 H LYS A 45 10.898 0.702 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 45 8.490 1.827 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.016 0.393 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.716 1.567 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.691 -0.510 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.819 0.294 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.046 -0.970 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.587 -1.925 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.729 -1.597 -9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.970 -2.833 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.863 -3.689 -8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.006 -3.716 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.803 -2.518 -6.956 1.00 0.00 H new ATOM 703 N PRO A 46 9.701 4.038 -7.651 1.00 0.00 N ATOM 704 CA PRO A 46 10.029 5.413 -7.265 1.00 0.00 C ATOM 705 C PRO A 46 8.827 6.158 -6.695 1.00 0.00 C ATOM 706 O PRO A 46 8.944 7.303 -6.257 1.00 0.00 O ATOM 707 CB PRO A 46 10.480 6.053 -8.580 1.00 0.00 C ATOM 708 CG PRO A 46 9.802 5.257 -9.641 1.00 0.00 C ATOM 709 CD PRO A 46 9.714 3.852 -9.112 1.00 0.00 C ATOM 0 HA PRO A 46 10.783 5.446 -6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.192 7.103 -8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.564 6.014 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.811 5.656 -9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.366 5.288 -10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.813 3.347 -9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.563 3.248 -9.433 1.00 0.00 H new ATOM 717 N TYR A 47 7.672 5.501 -6.702 1.00 0.00 N ATOM 718 CA TYR A 47 6.448 6.102 -6.188 1.00 0.00 C ATOM 719 C TYR A 47 5.832 5.233 -5.095 1.00 0.00 C ATOM 720 O TYR A 47 5.694 4.020 -5.253 1.00 0.00 O ATOM 721 CB TYR A 47 5.440 6.307 -7.320 1.00 0.00 C ATOM 722 CG TYR A 47 6.019 7.014 -8.525 1.00 0.00 C ATOM 723 CD1 TYR A 47 6.071 8.402 -8.582 1.00 0.00 C ATOM 724 CD2 TYR A 47 6.514 6.295 -9.605 1.00 0.00 C ATOM 725 CE1 TYR A 47 6.598 9.052 -9.681 1.00 0.00 C ATOM 726 CE2 TYR A 47 7.044 6.937 -10.708 1.00 0.00 C ATOM 727 CZ TYR A 47 7.084 8.315 -10.741 1.00 0.00 C ATOM 728 OH TYR A 47 7.611 8.959 -11.837 1.00 0.00 O ATOM 0 H TYR A 47 7.558 4.552 -7.058 1.00 0.00 H new ATOM 0 HA TYR A 47 6.702 7.071 -5.758 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.052 5.337 -7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.595 6.883 -6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.693 8.982 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.484 5.216 -9.583 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.629 10.131 -9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.425 6.363 -11.540 1.00 0.00 H new ATOM 0 HH TYR A 47 7.910 8.296 -12.494 1.00 0.00 H new ATOM 738 N LYS A 48 5.463 5.864 -3.985 1.00 0.00 N ATOM 739 CA LYS A 48 4.859 5.151 -2.865 1.00 0.00 C ATOM 740 C LYS A 48 4.142 6.118 -1.929 1.00 0.00 C ATOM 741 O LYS A 48 4.630 7.216 -1.659 1.00 0.00 O ATOM 742 CB LYS A 48 5.928 4.375 -2.092 1.00 0.00 C ATOM 743 CG LYS A 48 5.364 3.263 -1.225 1.00 0.00 C ATOM 744 CD LYS A 48 6.380 2.785 -0.201 1.00 0.00 C ATOM 745 CE LYS A 48 6.284 3.581 1.092 1.00 0.00 C ATOM 746 NZ LYS A 48 5.194 3.079 1.973 1.00 0.00 N ATOM 0 H LYS A 48 5.572 6.867 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 48 4.127 4.449 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.638 3.948 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.484 5.069 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.469 3.618 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.060 2.427 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.218 1.728 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.385 2.878 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.234 3.527 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.108 4.631 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.828 3.861 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.426 2.692 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.566 2.332 2.594 1.00 0.00 H new ATOM 760 N CYS A 49 2.980 5.703 -1.434 1.00 0.00 N ATOM 761 CA CYS A 49 2.195 6.532 -0.526 1.00 0.00 C ATOM 762 C CYS A 49 2.592 6.275 0.925 1.00 0.00 C ATOM 763 O CYS A 49 3.154 5.229 1.250 1.00 0.00 O ATOM 764 CB CYS A 49 0.702 6.257 -0.715 1.00 0.00 C ATOM 765 SG CYS A 49 -0.363 7.057 0.528 1.00 0.00 S ATOM 0 H CYS A 49 2.561 4.798 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 49 2.398 7.577 -0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.403 6.597 -1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.535 5.180 -0.683 1.00 0.00 H new ATOM 770 N ASP A 50 2.295 7.237 1.792 1.00 0.00 N ATOM 771 CA ASP A 50 2.619 7.116 3.208 1.00 0.00 C ATOM 772 C ASP A 50 1.392 6.700 4.013 1.00 0.00 C ATOM 773 O ASP A 50 1.438 5.741 4.782 1.00 0.00 O ATOM 774 CB ASP A 50 3.170 8.439 3.742 1.00 0.00 C ATOM 775 CG ASP A 50 4.290 8.990 2.882 1.00 0.00 C ATOM 776 OD1 ASP A 50 5.069 8.182 2.334 1.00 0.00 O ATOM 777 OD2 ASP A 50 4.387 10.228 2.756 1.00 0.00 O ATOM 0 H ASP A 50 1.830 8.109 1.539 1.00 0.00 H new ATOM 0 HA ASP A 50 3.381 6.344 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.363 9.170 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.535 8.293 4.759 1.00 0.00 H new ATOM 782 N GLU A 51 0.295 7.429 3.830 1.00 0.00 N ATOM 783 CA GLU A 51 -0.944 7.136 4.541 1.00 0.00 C ATOM 784 C GLU A 51 -1.230 5.638 4.540 1.00 0.00 C ATOM 785 O GLU A 51 -1.258 4.999 5.592 1.00 0.00 O ATOM 786 CB GLU A 51 -2.113 7.891 3.904 1.00 0.00 C ATOM 787 CG GLU A 51 -2.157 9.365 4.269 1.00 0.00 C ATOM 788 CD GLU A 51 -2.197 9.594 5.767 1.00 0.00 C ATOM 789 OE1 GLU A 51 -3.167 9.141 6.411 1.00 0.00 O ATOM 790 OE2 GLU A 51 -1.260 10.227 6.297 1.00 0.00 O ATOM 0 H GLU A 51 0.239 8.226 3.196 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.828 7.465 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.049 7.796 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.048 7.421 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.283 9.865 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.034 9.823 3.812 1.00 0.00 H new ATOM 797 N CYS A 52 -1.443 5.083 3.351 1.00 0.00 N ATOM 798 CA CYS A 52 -1.729 3.660 3.211 1.00 0.00 C ATOM 799 C CYS A 52 -0.442 2.841 3.246 1.00 0.00 C ATOM 800 O CYS A 52 -0.393 1.766 3.843 1.00 0.00 O ATOM 801 CB CYS A 52 -2.480 3.395 1.905 1.00 0.00 C ATOM 802 SG CYS A 52 -1.591 3.941 0.412 1.00 0.00 S ATOM 0 H CYS A 52 -1.423 5.597 2.470 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.355 3.356 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.681 2.327 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.445 3.899 1.945 1.00 0.00 H new ATOM 807 N GLY A 53 0.600 3.358 2.600 1.00 0.00 N ATOM 808 CA GLY A 53 1.873 2.662 2.569 1.00 0.00 C ATOM 809 C GLY A 53 1.957 1.658 1.436 1.00 0.00 C ATOM 810 O GLY A 53 2.326 0.502 1.647 1.00 0.00 O ATOM 0 H GLY A 53 0.585 4.246 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.679 3.389 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.026 2.148 3.518 1.00 0.00 H new ATOM 814 N LYS A 54 1.614 2.098 0.230 1.00 0.00 N ATOM 815 CA LYS A 54 1.652 1.231 -0.941 1.00 0.00 C ATOM 816 C LYS A 54 2.574 1.804 -2.012 1.00 0.00 C ATOM 817 O LYS A 54 2.728 3.019 -2.127 1.00 0.00 O ATOM 818 CB LYS A 54 0.243 1.047 -1.510 1.00 0.00 C ATOM 819 CG LYS A 54 0.079 -0.222 -2.330 1.00 0.00 C ATOM 820 CD LYS A 54 -1.343 -0.376 -2.840 1.00 0.00 C ATOM 821 CE LYS A 54 -1.695 -1.836 -3.078 1.00 0.00 C ATOM 822 NZ LYS A 54 -1.087 -2.356 -4.335 1.00 0.00 N ATOM 0 H LYS A 54 1.306 3.051 0.038 1.00 0.00 H new ATOM 0 HA LYS A 54 2.042 0.261 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.473 1.034 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.003 1.907 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.769 -0.203 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.344 -1.086 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.038 0.054 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.460 0.184 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.352 -2.434 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.778 -1.945 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.351 -3.354 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.434 -1.802 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.052 -2.276 -4.279 1.00 0.00 H new ATOM 836 N ALA A 55 3.183 0.920 -2.796 1.00 0.00 N ATOM 837 CA ALA A 55 4.087 1.338 -3.860 1.00 0.00 C ATOM 838 C ALA A 55 3.451 1.137 -5.231 1.00 0.00 C ATOM 839 O ALA A 55 2.616 0.251 -5.416 1.00 0.00 O ATOM 840 CB ALA A 55 5.400 0.575 -3.768 1.00 0.00 C ATOM 0 H ALA A 55 3.066 -0.090 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 55 4.289 2.402 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.065 0.898 -4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.869 0.773 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.207 -0.493 -3.865 1.00 0.00 H new ATOM 846 N PHE A 56 3.850 1.965 -6.191 1.00 0.00 N ATOM 847 CA PHE A 56 3.317 1.879 -7.546 1.00 0.00 C ATOM 848 C PHE A 56 4.426 2.057 -8.579 1.00 0.00 C ATOM 849 O PHE A 56 5.511 2.545 -8.262 1.00 0.00 O ATOM 850 CB PHE A 56 2.233 2.937 -7.758 1.00 0.00 C ATOM 851 CG PHE A 56 1.147 2.900 -6.721 1.00 0.00 C ATOM 852 CD1 PHE A 56 1.307 3.551 -5.508 1.00 0.00 C ATOM 853 CD2 PHE A 56 -0.033 2.214 -6.958 1.00 0.00 C ATOM 854 CE1 PHE A 56 0.310 3.517 -4.551 1.00 0.00 C ATOM 855 CE2 PHE A 56 -1.034 2.177 -6.005 1.00 0.00 C ATOM 856 CZ PHE A 56 -0.862 2.830 -4.801 1.00 0.00 C ATOM 0 H PHE A 56 4.541 2.703 -6.056 1.00 0.00 H new ATOM 0 HA PHE A 56 2.879 0.889 -7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.695 3.924 -7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.788 2.797 -8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.221 4.091 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.173 1.702 -7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.447 4.027 -3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.949 1.638 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.643 2.804 -4.055 1.00 0.00 H new ATOM 866 N ILE A 57 4.145 1.657 -9.814 1.00 0.00 N ATOM 867 CA ILE A 57 5.118 1.773 -10.894 1.00 0.00 C ATOM 868 C ILE A 57 5.018 3.131 -11.580 1.00 0.00 C ATOM 869 O ILE A 57 5.995 3.876 -11.647 1.00 0.00 O ATOM 870 CB ILE A 57 4.926 0.663 -11.945 1.00 0.00 C ATOM 871 CG1 ILE A 57 5.056 -0.715 -11.293 1.00 0.00 C ATOM 872 CG2 ILE A 57 5.938 0.820 -13.071 1.00 0.00 C ATOM 873 CD1 ILE A 57 4.309 -1.804 -12.029 1.00 0.00 C ATOM 0 H ILE A 57 3.252 1.250 -10.092 1.00 0.00 H new ATOM 0 HA ILE A 57 6.105 1.669 -10.443 1.00 0.00 H new ATOM 0 HB ILE A 57 3.925 0.751 -12.367 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.111 -0.983 -11.237 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.686 -0.660 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.790 0.029 -13.806 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.802 1.790 -13.550 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.947 0.754 -12.665 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.446 -2.753 -11.511 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.248 -1.558 -12.063 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.695 -1.887 -13.045 1.00 0.00 H new ATOM 885 N GLN A 58 3.831 3.445 -12.088 1.00 0.00 N ATOM 886 CA GLN A 58 3.604 4.715 -12.769 1.00 0.00 C ATOM 887 C GLN A 58 3.123 5.780 -11.789 1.00 0.00 C ATOM 888 O GLN A 58 2.306 5.505 -10.910 1.00 0.00 O ATOM 889 CB GLN A 58 2.581 4.539 -13.892 1.00 0.00 C ATOM 890 CG GLN A 58 3.101 3.729 -15.068 1.00 0.00 C ATOM 891 CD GLN A 58 4.194 4.448 -15.835 1.00 0.00 C ATOM 892 OE1 GLN A 58 5.328 4.556 -15.368 1.00 0.00 O ATOM 893 NE2 GLN A 58 3.857 4.944 -17.020 1.00 0.00 N ATOM 0 H GLN A 58 3.012 2.839 -12.041 1.00 0.00 H new ATOM 0 HA GLN A 58 4.551 5.043 -13.198 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.693 4.051 -13.490 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.271 5.522 -14.247 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.484 2.775 -14.706 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.275 3.505 -15.744 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.905 4.831 -17.368 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.550 5.438 -17.582 1.00 0.00 H new ATOM 902 N ARG A 59 3.636 6.996 -11.945 1.00 0.00 N ATOM 903 CA ARG A 59 3.260 8.102 -11.073 1.00 0.00 C ATOM 904 C ARG A 59 1.743 8.262 -11.022 1.00 0.00 C ATOM 905 O ARG A 59 1.159 8.401 -9.947 1.00 0.00 O ATOM 906 CB ARG A 59 3.905 9.402 -11.555 1.00 0.00 C ATOM 907 CG ARG A 59 3.601 9.731 -13.008 1.00 0.00 C ATOM 908 CD ARG A 59 4.556 10.781 -13.553 1.00 0.00 C ATOM 909 NE ARG A 59 3.935 11.600 -14.590 1.00 0.00 N ATOM 910 CZ ARG A 59 3.842 11.229 -15.862 1.00 0.00 C ATOM 911 NH1 ARG A 59 4.326 10.057 -16.252 1.00 0.00 N ATOM 912 NH2 ARG A 59 3.262 12.029 -16.748 1.00 0.00 N ATOM 0 H ARG A 59 4.313 7.240 -12.667 1.00 0.00 H new ATOM 0 HA ARG A 59 3.619 7.878 -10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.561 10.223 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.985 9.332 -11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.673 8.825 -13.610 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.576 10.091 -13.094 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.893 11.422 -12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.440 10.290 -13.960 1.00 0.00 H new ATOM 0 HE ARG A 59 3.552 12.507 -14.323 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.771 9.438 -15.574 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.253 9.775 -17.229 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.887 12.930 -16.453 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.191 11.743 -17.724 1.00 0.00 H new ATOM 926 N SER A 60 1.112 8.244 -12.191 1.00 0.00 N ATOM 927 CA SER A 60 -0.336 8.392 -12.281 1.00 0.00 C ATOM 928 C SER A 60 -1.033 7.580 -11.193 1.00 0.00 C ATOM 929 O SER A 60 -1.991 8.045 -10.573 1.00 0.00 O ATOM 930 CB SER A 60 -0.832 7.949 -13.659 1.00 0.00 C ATOM 931 OG SER A 60 -0.590 8.949 -14.633 1.00 0.00 O ATOM 0 H SER A 60 1.581 8.128 -13.090 1.00 0.00 H new ATOM 0 HA SER A 60 -0.578 9.445 -12.137 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.332 7.025 -13.949 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.899 7.733 -13.613 1.00 0.00 H new ATOM 0 HG SER A 60 -0.914 8.641 -15.505 1.00 0.00 H new ATOM 937 N HIS A 61 -0.546 6.365 -10.965 1.00 0.00 N ATOM 938 CA HIS A 61 -1.121 5.488 -9.952 1.00 0.00 C ATOM 939 C HIS A 61 -1.190 6.191 -8.600 1.00 0.00 C ATOM 940 O HIS A 61 -2.180 6.073 -7.876 1.00 0.00 O ATOM 941 CB HIS A 61 -0.297 4.205 -9.831 1.00 0.00 C ATOM 942 CG HIS A 61 -0.231 3.414 -11.101 1.00 0.00 C ATOM 943 ND1 HIS A 61 -0.499 3.768 -12.379 1.00 0.00 N flip ATOM 944 CD2 HIS A 61 0.146 2.088 -11.142 1.00 0.00 C flip ATOM 945 CE1 HIS A 61 -0.279 2.661 -13.163 1.00 0.00 C flip ATOM 946 NE2 HIS A 61 0.110 1.661 -12.392 1.00 0.00 N flip ATOM 0 H HIS A 61 0.246 5.965 -11.468 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.135 5.233 -10.261 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.716 4.461 -9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.724 3.581 -9.046 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.427 1.492 -10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.404 2.616 -14.235 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.343 0.720 -12.708 1.00 0.00 H new ATOM 954 N LEU A 62 -0.132 6.923 -8.265 1.00 0.00 N ATOM 955 CA LEU A 62 -0.072 7.645 -6.999 1.00 0.00 C ATOM 956 C LEU A 62 -0.789 8.988 -7.104 1.00 0.00 C ATOM 957 O LEU A 62 -1.576 9.353 -6.230 1.00 0.00 O ATOM 958 CB LEU A 62 1.383 7.862 -6.581 1.00 0.00 C ATOM 959 CG LEU A 62 1.602 8.684 -5.310 1.00 0.00 C ATOM 960 CD1 LEU A 62 1.424 7.814 -4.076 1.00 0.00 C ATOM 961 CD2 LEU A 62 2.982 9.324 -5.320 1.00 0.00 C ATOM 0 H LEU A 62 0.695 7.032 -8.852 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.575 7.043 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.850 6.887 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.906 8.353 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 62 0.856 9.478 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.583 8.415 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.414 7.404 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.147 6.998 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.120 9.905 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.744 8.546 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.072 9.980 -6.186 1.00 0.00 H new ATOM 973 N ILE A 63 -0.512 9.718 -8.179 1.00 0.00 N ATOM 974 CA ILE A 63 -1.133 11.018 -8.400 1.00 0.00 C ATOM 975 C ILE A 63 -2.625 10.975 -8.086 1.00 0.00 C ATOM 976 O ILE A 63 -3.118 11.741 -7.259 1.00 0.00 O ATOM 977 CB ILE A 63 -0.939 11.496 -9.851 1.00 0.00 C ATOM 978 CG1 ILE A 63 0.552 11.602 -10.181 1.00 0.00 C ATOM 979 CG2 ILE A 63 -1.631 12.833 -10.066 1.00 0.00 C ATOM 980 CD1 ILE A 63 0.829 11.893 -11.639 1.00 0.00 C ATOM 0 H ILE A 63 0.138 9.431 -8.911 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.642 11.720 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.390 10.765 -10.522 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.996 12.389 -9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.044 10.669 -9.905 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.484 13.157 -11.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.697 12.727 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.208 13.575 -9.389 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.905 11.954 -11.800 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.415 11.094 -12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.366 12.840 -11.915 1.00 0.00 H new ATOM 992 N GLY A 64 -3.339 10.072 -8.752 1.00 0.00 N ATOM 993 CA GLY A 64 -4.767 9.945 -8.529 1.00 0.00 C ATOM 994 C GLY A 64 -5.092 9.377 -7.161 1.00 0.00 C ATOM 995 O GLY A 64 -5.968 9.886 -6.462 1.00 0.00 O ATOM 0 H GLY A 64 -2.954 9.427 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.236 10.923 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.196 9.302 -9.297 1.00 0.00 H new ATOM 999 N HIS A 65 -4.385 8.318 -6.779 1.00 0.00 N ATOM 1000 CA HIS A 65 -4.604 7.679 -5.486 1.00 0.00 C ATOM 1001 C HIS A 65 -4.564 8.706 -4.359 1.00 0.00 C ATOM 1002 O HIS A 65 -5.347 8.633 -3.411 1.00 0.00 O ATOM 1003 CB HIS A 65 -3.552 6.597 -5.244 1.00 0.00 C ATOM 1004 CG HIS A 65 -3.341 6.280 -3.795 1.00 0.00 C ATOM 1005 ND1 HIS A 65 -3.801 5.122 -3.203 1.00 0.00 N ATOM 1006 CD2 HIS A 65 -2.714 6.977 -2.819 1.00 0.00 C ATOM 1007 CE1 HIS A 65 -3.467 5.122 -1.925 1.00 0.00 C ATOM 1008 NE2 HIS A 65 -2.807 6.236 -1.666 1.00 0.00 N ATOM 0 H HIS A 65 -3.656 7.885 -7.346 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.592 7.218 -5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.851 5.688 -5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.606 6.918 -5.679 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.318 4.382 -3.678 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.231 7.937 -2.927 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.695 4.343 -1.213 1.00 0.00 H new ATOM 1016 N HIS A 66 -3.647 9.662 -4.468 1.00 0.00 N ATOM 1017 CA HIS A 66 -3.505 10.704 -3.457 1.00 0.00 C ATOM 1018 C HIS A 66 -4.868 11.259 -3.055 1.00 0.00 C ATOM 1019 O HIS A 66 -5.029 11.804 -1.962 1.00 0.00 O ATOM 1020 CB HIS A 66 -2.615 11.832 -3.980 1.00 0.00 C ATOM 1021 CG HIS A 66 -1.161 11.637 -3.678 1.00 0.00 C ATOM 1022 ND1 HIS A 66 -0.527 11.370 -2.512 1.00 0.00 N flip ATOM 1023 CD2 HIS A 66 -0.176 11.713 -4.640 1.00 0.00 C flip ATOM 1024 CE1 HIS A 66 0.816 11.288 -2.789 1.00 0.00 C flip ATOM 1025 NE2 HIS A 66 1.001 11.498 -4.080 1.00 0.00 N flip ATOM 0 H HIS A 66 -2.991 9.737 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.039 10.262 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.745 11.916 -5.059 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.945 12.775 -3.545 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -0.965 11.252 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.341 11.917 -5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.594 11.085 -2.068 1.00 0.00 H new ATOM 1033 N ARG A 67 -5.845 11.119 -3.944 1.00 0.00 N ATOM 1034 CA ARG A 67 -7.193 11.609 -3.682 1.00 0.00 C ATOM 1035 C ARG A 67 -8.080 10.494 -3.135 1.00 0.00 C ATOM 1036 O ARG A 67 -9.298 10.514 -3.308 1.00 0.00 O ATOM 1037 CB ARG A 67 -7.807 12.184 -4.960 1.00 0.00 C ATOM 1038 CG ARG A 67 -7.529 13.665 -5.157 1.00 0.00 C ATOM 1039 CD ARG A 67 -8.332 14.233 -6.316 1.00 0.00 C ATOM 1040 NE ARG A 67 -8.308 15.693 -6.335 1.00 0.00 N ATOM 1041 CZ ARG A 67 -7.265 16.406 -6.746 1.00 0.00 C ATOM 1042 NH1 ARG A 67 -6.167 15.796 -7.171 1.00 0.00 N ATOM 1043 NH2 ARG A 67 -7.319 17.732 -6.734 1.00 0.00 N ATOM 0 H ARG A 67 -5.729 10.670 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.127 12.398 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.421 11.633 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.885 12.025 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.774 14.207 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.465 13.815 -5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.932 13.852 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.364 13.888 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.138 16.193 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.122 14.777 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.368 16.346 -7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.162 18.205 -6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.517 18.278 -7.050 1.00 0.00 H new ATOM 1057 N VAL A 68 -7.459 9.521 -2.475 1.00 0.00 N ATOM 1058 CA VAL A 68 -8.191 8.398 -1.902 1.00 0.00 C ATOM 1059 C VAL A 68 -8.493 8.634 -0.427 1.00 0.00 C ATOM 1060 O VAL A 68 -9.539 8.222 0.078 1.00 0.00 O ATOM 1061 CB VAL A 68 -7.405 7.082 -2.050 1.00 0.00 C ATOM 1062 CG1 VAL A 68 -6.124 7.130 -1.232 1.00 0.00 C ATOM 1063 CG2 VAL A 68 -8.267 5.898 -1.638 1.00 0.00 C ATOM 0 H VAL A 68 -6.451 9.488 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.128 8.317 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.133 6.957 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.582 6.192 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.501 7.954 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.369 7.279 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.696 4.976 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.571 6.014 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.153 5.855 -2.272 1.00 0.00 H new ATOM 1073 N HIS A 69 -7.571 9.300 0.261 1.00 0.00 N ATOM 1074 CA HIS A 69 -7.739 9.592 1.680 1.00 0.00 C ATOM 1075 C HIS A 69 -8.354 10.974 1.882 1.00 0.00 C ATOM 1076 O HIS A 69 -7.906 11.957 1.290 1.00 0.00 O ATOM 1077 CB HIS A 69 -6.394 9.509 2.402 1.00 0.00 C ATOM 1078 CG HIS A 69 -5.604 8.284 2.059 1.00 0.00 C ATOM 1079 ND1 HIS A 69 -6.024 7.007 2.366 1.00 0.00 N ATOM 1080 CD2 HIS A 69 -4.414 8.146 1.429 1.00 0.00 C ATOM 1081 CE1 HIS A 69 -5.126 6.136 1.941 1.00 0.00 C ATOM 1082 NE2 HIS A 69 -4.139 6.802 1.368 1.00 0.00 N ATOM 0 H HIS A 69 -6.700 9.647 -0.141 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.415 8.848 2.101 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.804 10.392 2.156 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.567 9.530 3.478 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.892 6.772 2.846 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.796 8.944 1.046 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.188 5.063 2.044 1.00 0.00 H new ATOM 1090 N THR A 70 -9.384 11.042 2.720 1.00 0.00 N ATOM 1091 CA THR A 70 -10.061 12.302 2.997 1.00 0.00 C ATOM 1092 C THR A 70 -10.075 12.601 4.492 1.00 0.00 C ATOM 1093 O THR A 70 -10.261 11.704 5.313 1.00 0.00 O ATOM 1094 CB THR A 70 -11.510 12.288 2.474 1.00 0.00 C ATOM 1095 OG1 THR A 70 -12.079 13.598 2.574 1.00 0.00 O ATOM 1096 CG2 THR A 70 -12.359 11.299 3.258 1.00 0.00 C ATOM 0 H THR A 70 -9.767 10.239 3.218 1.00 0.00 H new ATOM 0 HA THR A 70 -9.503 13.082 2.478 1.00 0.00 H new ATOM 0 HB THR A 70 -11.493 11.979 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.999 13.581 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.378 11.307 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.940 10.298 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.369 11.582 4.311 1.00 0.00 H new ATOM 1104 N GLY A 71 -9.878 13.869 4.839 1.00 0.00 N ATOM 1105 CA GLY A 71 -9.873 14.264 6.236 1.00 0.00 C ATOM 1106 C GLY A 71 -8.612 13.829 6.956 1.00 0.00 C ATOM 1107 O GLY A 71 -8.640 12.903 7.767 1.00 0.00 O ATOM 0 H GLY A 71 -9.722 14.630 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.972 15.347 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.740 13.833 6.736 1.00 0.00 H new ATOM 1111 N SER A 72 -7.502 14.497 6.659 1.00 0.00 N ATOM 1112 CA SER A 72 -6.224 14.171 7.281 1.00 0.00 C ATOM 1113 C SER A 72 -6.187 14.646 8.730 1.00 0.00 C ATOM 1114 O SER A 72 -6.224 15.845 9.003 1.00 0.00 O ATOM 1115 CB SER A 72 -5.074 14.804 6.495 1.00 0.00 C ATOM 1116 OG SER A 72 -3.819 14.359 6.980 1.00 0.00 O ATOM 0 H SER A 72 -7.462 15.267 5.992 1.00 0.00 H new ATOM 0 HA SER A 72 -6.109 13.087 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.169 14.552 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.132 15.890 6.570 1.00 0.00 H new ATOM 0 HG SER A 72 -3.101 14.776 6.460 1.00 0.00 H new ATOM 1122 N GLY A 73 -6.115 13.695 9.657 1.00 0.00 N ATOM 1123 CA GLY A 73 -6.074 14.035 11.067 1.00 0.00 C ATOM 1124 C GLY A 73 -7.222 14.935 11.479 1.00 0.00 C ATOM 1125 O GLY A 73 -8.315 14.882 10.915 1.00 0.00 O ATOM 0 H GLY A 73 -6.084 12.695 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.103 13.120 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.129 14.530 11.291 1.00 0.00 H new ATOM 1129 N PRO A 74 -6.979 15.785 12.488 1.00 0.00 N ATOM 1130 CA PRO A 74 -7.990 16.716 12.999 1.00 0.00 C ATOM 1131 C PRO A 74 -8.306 17.830 12.006 1.00 0.00 C ATOM 1132 O PRO A 74 -7.559 18.056 11.054 1.00 0.00 O ATOM 1133 CB PRO A 74 -7.337 17.292 14.258 1.00 0.00 C ATOM 1134 CG PRO A 74 -5.873 17.155 14.023 1.00 0.00 C ATOM 1135 CD PRO A 74 -5.700 15.903 13.207 1.00 0.00 C ATOM 0 HA PRO A 74 -8.943 16.221 13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.618 18.334 14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.647 16.747 15.149 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.480 18.023 13.494 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.331 17.084 14.966 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.858 15.985 12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.512 15.035 13.838 1.00 0.00 H new ATOM 1143 N SER A 75 -9.416 18.524 12.236 1.00 0.00 N ATOM 1144 CA SER A 75 -9.833 19.612 11.360 1.00 0.00 C ATOM 1145 C SER A 75 -8.637 20.465 10.948 1.00 0.00 C ATOM 1146 O SER A 75 -7.951 21.042 11.792 1.00 0.00 O ATOM 1147 CB SER A 75 -10.880 20.484 12.056 1.00 0.00 C ATOM 1148 OG SER A 75 -11.503 21.364 11.138 1.00 0.00 O ATOM 0 H SER A 75 -10.043 18.352 13.022 1.00 0.00 H new ATOM 0 HA SER A 75 -10.273 19.175 10.463 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.633 19.850 12.524 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.407 21.059 12.852 1.00 0.00 H new ATOM 0 HG SER A 75 -12.169 21.909 11.607 1.00 0.00 H new ATOM 1154 N SER A 76 -8.393 20.540 9.643 1.00 0.00 N ATOM 1155 CA SER A 76 -7.279 21.320 9.117 1.00 0.00 C ATOM 1156 C SER A 76 -7.125 22.632 9.880 1.00 0.00 C ATOM 1157 O SER A 76 -6.075 22.907 10.459 1.00 0.00 O ATOM 1158 CB SER A 76 -7.485 21.604 7.628 1.00 0.00 C ATOM 1159 OG SER A 76 -7.169 20.466 6.844 1.00 0.00 O ATOM 0 H SER A 76 -8.952 20.070 8.931 1.00 0.00 H new ATOM 0 HA SER A 76 -6.367 20.736 9.245 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.520 21.896 7.450 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.860 22.444 7.325 1.00 0.00 H new ATOM 0 HG SER A 76 -7.310 20.672 5.896 1.00 0.00 H new ATOM 1165 N GLY A 77 -8.182 23.439 9.877 1.00 0.00 N ATOM 1166 CA GLY A 77 -8.145 24.712 10.571 1.00 0.00 C ATOM 1167 C GLY A 77 -7.357 24.645 11.864 1.00 0.00 C ATOM 1168 O GLY A 77 -7.914 24.248 12.886 1.00 0.00 O ATOM 0 H GLY A 77 -9.063 23.233 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.703 25.465 9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.164 25.035 10.786 1.00 0.00 H new TER 1172 GLY A 77 HETATM 1173 ZN ZN A 201 10.034 4.234 5.034 1.00 0.00 ZN HETATM 1174 ZN ZN A 401 -2.512 6.118 0.350 1.00 0.00 ZN