USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=24 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 43:sc= 0.658 USER MOD Single : A 12 GLN : amide:sc= -0.532 K(o=-0.53,f=-4.8!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0712) USER MOD Single : A 27 SER OG : rot 24:sc= 0.121 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0844 K(o=-0.084,f=-1.6) USER MOD Single : A 31 SER OG : rot 180:sc= -0.189 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+ 143:sc= -1.46 (180deg=-3.75!) USER MOD Single : A 40 THR OG1 : rot 57:sc= 0.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -0.521 (180deg=-0.527) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -1.36 (180deg=-3.33!) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc=-0.00752 (180deg=-0.176) USER MOD Single : A 58 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.59) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 66 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-5.8!) 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 -15.292 23.053 3.802 1.00 0.00 N ATOM 2 CA GLY A 1 -16.365 22.916 2.835 1.00 0.00 C ATOM 3 C GLY A 1 -17.383 21.869 3.244 1.00 0.00 C ATOM 4 O GLY A 1 -17.235 20.690 2.920 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.623 23.780 3.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.688 23.333 4.722 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.795 22.145 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.865 23.877 2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.944 22.650 1.865 1.00 0.00 H new ATOM 8 N SER A 2 -18.418 22.299 3.957 1.00 0.00 N ATOM 9 CA SER A 2 -19.462 21.389 4.415 1.00 0.00 C ATOM 10 C SER A 2 -20.607 21.325 3.409 1.00 0.00 C ATOM 11 O SER A 2 -21.779 21.325 3.784 1.00 0.00 O ATOM 12 CB SER A 2 -19.992 21.832 5.780 1.00 0.00 C ATOM 13 OG SER A 2 -19.082 21.497 6.814 1.00 0.00 O ATOM 0 H SER A 2 -18.557 23.272 4.230 1.00 0.00 H new ATOM 0 HA SER A 2 -19.027 20.394 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.162 22.909 5.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.955 21.358 5.971 1.00 0.00 H new ATOM 0 HG SER A 2 -19.443 21.792 7.676 1.00 0.00 H new ATOM 19 N SER A 3 -20.257 21.270 2.127 1.00 0.00 N ATOM 20 CA SER A 3 -21.255 21.210 1.065 1.00 0.00 C ATOM 21 C SER A 3 -21.222 19.854 0.365 1.00 0.00 C ATOM 22 O SER A 3 -20.380 19.609 -0.498 1.00 0.00 O ATOM 23 CB SER A 3 -21.016 22.327 0.048 1.00 0.00 C ATOM 24 OG SER A 3 -20.968 23.593 0.683 1.00 0.00 O ATOM 0 H SER A 3 -19.291 21.266 1.799 1.00 0.00 H new ATOM 0 HA SER A 3 -22.238 21.343 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.081 22.147 -0.482 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.811 22.321 -0.698 1.00 0.00 H new ATOM 0 HG SER A 3 -20.813 24.290 0.012 1.00 0.00 H new ATOM 30 N GLY A 4 -22.145 18.976 0.746 1.00 0.00 N ATOM 31 CA GLY A 4 -22.205 17.656 0.146 1.00 0.00 C ATOM 32 C GLY A 4 -22.387 16.559 1.176 1.00 0.00 C ATOM 33 O GLY A 4 -23.478 16.008 1.320 1.00 0.00 O ATOM 0 H GLY A 4 -22.852 19.155 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.029 17.621 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.289 17.474 -0.416 1.00 0.00 H new ATOM 37 N SER A 5 -21.314 16.239 1.893 1.00 0.00 N ATOM 38 CA SER A 5 -21.359 15.196 2.911 1.00 0.00 C ATOM 39 C SER A 5 -21.133 15.784 4.301 1.00 0.00 C ATOM 40 O SER A 5 -20.108 16.414 4.562 1.00 0.00 O ATOM 41 CB SER A 5 -20.306 14.125 2.621 1.00 0.00 C ATOM 42 OG SER A 5 -20.463 13.595 1.316 1.00 0.00 O ATOM 0 H SER A 5 -20.404 16.687 1.788 1.00 0.00 H new ATOM 0 HA SER A 5 -22.348 14.739 2.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.309 14.553 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.387 13.323 3.355 1.00 0.00 H new ATOM 0 HG SER A 5 -19.777 12.914 1.155 1.00 0.00 H new ATOM 48 N SER A 6 -22.099 15.573 5.189 1.00 0.00 N ATOM 49 CA SER A 6 -22.009 16.085 6.552 1.00 0.00 C ATOM 50 C SER A 6 -20.828 15.462 7.289 1.00 0.00 C ATOM 51 O SER A 6 -20.632 14.248 7.259 1.00 0.00 O ATOM 52 CB SER A 6 -23.306 15.801 7.312 1.00 0.00 C ATOM 53 OG SER A 6 -23.537 14.407 7.425 1.00 0.00 O ATOM 0 H SER A 6 -22.953 15.051 4.990 1.00 0.00 H new ATOM 0 HA SER A 6 -21.855 17.163 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.254 16.246 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.144 16.271 6.796 1.00 0.00 H new ATOM 0 HG SER A 6 -24.371 14.252 7.916 1.00 0.00 H new ATOM 59 N GLY A 7 -20.041 16.305 7.951 1.00 0.00 N ATOM 60 CA GLY A 7 -18.887 15.820 8.687 1.00 0.00 C ATOM 61 C GLY A 7 -18.071 16.945 9.292 1.00 0.00 C ATOM 62 O GLY A 7 -18.158 18.091 8.850 1.00 0.00 O ATOM 0 H GLY A 7 -20.182 17.314 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.221 15.150 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.254 15.234 8.020 1.00 0.00 H new ATOM 66 N ARG A 8 -17.277 16.619 10.307 1.00 0.00 N ATOM 67 CA ARG A 8 -16.444 17.611 10.975 1.00 0.00 C ATOM 68 C ARG A 8 -14.965 17.268 10.827 1.00 0.00 C ATOM 69 O ARG A 8 -14.482 16.295 11.405 1.00 0.00 O ATOM 70 CB ARG A 8 -16.812 17.702 12.457 1.00 0.00 C ATOM 71 CG ARG A 8 -18.034 18.563 12.731 1.00 0.00 C ATOM 72 CD ARG A 8 -17.732 20.040 12.529 1.00 0.00 C ATOM 73 NE ARG A 8 -16.877 20.572 13.587 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.308 20.840 14.814 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.575 20.625 15.137 1.00 0.00 N ATOM 76 NH2 ARG A 8 -16.469 21.323 15.722 1.00 0.00 N ATOM 0 H ARG A 8 -17.193 15.675 10.684 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.624 18.577 10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.993 16.698 12.840 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.963 18.105 13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.847 18.263 12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.376 18.397 13.753 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.246 20.182 11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.666 20.601 12.501 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.896 20.747 13.372 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.222 20.253 14.442 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.903 20.832 16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.493 21.488 15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.801 21.529 16.664 1.00 0.00 H new ATOM 90 N SER A 9 -14.251 18.075 10.047 1.00 0.00 N ATOM 91 CA SER A 9 -12.828 17.854 9.819 1.00 0.00 C ATOM 92 C SER A 9 -11.999 18.977 10.435 1.00 0.00 C ATOM 93 O SER A 9 -11.767 20.008 9.804 1.00 0.00 O ATOM 94 CB SER A 9 -12.539 17.755 8.320 1.00 0.00 C ATOM 95 OG SER A 9 -12.983 18.914 7.637 1.00 0.00 O ATOM 0 H SER A 9 -14.635 18.887 9.563 1.00 0.00 H new ATOM 0 HA SER A 9 -12.550 16.915 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.469 17.623 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.033 16.875 7.909 1.00 0.00 H new ATOM 0 HG SER A 9 -12.737 19.711 8.151 1.00 0.00 H new ATOM 101 N GLU A 10 -11.555 18.768 11.670 1.00 0.00 N ATOM 102 CA GLU A 10 -10.753 19.763 12.372 1.00 0.00 C ATOM 103 C GLU A 10 -9.280 19.642 11.990 1.00 0.00 C ATOM 104 O GLU A 10 -8.548 18.827 12.552 1.00 0.00 O ATOM 105 CB GLU A 10 -10.914 19.606 13.885 1.00 0.00 C ATOM 106 CG GLU A 10 -12.260 20.080 14.407 1.00 0.00 C ATOM 107 CD GLU A 10 -12.582 19.524 15.780 1.00 0.00 C ATOM 108 OE1 GLU A 10 -11.636 19.229 16.539 1.00 0.00 O ATOM 109 OE2 GLU A 10 -13.783 19.383 16.095 1.00 0.00 O ATOM 0 H GLU A 10 -11.737 17.919 12.205 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.107 20.751 12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.781 18.557 14.149 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.123 20.164 14.386 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.266 21.169 14.450 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.041 19.784 13.707 1.00 0.00 H new ATOM 116 N TRP A 11 -8.854 20.457 11.033 1.00 0.00 N ATOM 117 CA TRP A 11 -7.469 20.441 10.575 1.00 0.00 C ATOM 118 C TRP A 11 -6.536 20.997 11.646 1.00 0.00 C ATOM 119 O TRP A 11 -5.435 20.484 11.847 1.00 0.00 O ATOM 120 CB TRP A 11 -7.327 21.252 9.286 1.00 0.00 C ATOM 121 CG TRP A 11 -8.549 21.210 8.420 1.00 0.00 C ATOM 122 CD1 TRP A 11 -8.769 20.388 7.351 1.00 0.00 C ATOM 123 CD2 TRP A 11 -9.719 22.026 8.549 1.00 0.00 C ATOM 124 NE1 TRP A 11 -10.005 20.645 6.808 1.00 0.00 N ATOM 125 CE2 TRP A 11 -10.608 21.644 7.525 1.00 0.00 C ATOM 126 CE3 TRP A 11 -10.103 23.040 9.430 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -11.854 22.243 7.360 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -11.340 23.633 9.265 1.00 0.00 C ATOM 129 CH2 TRP A 11 -12.204 23.233 8.237 1.00 0.00 C ATOM 0 H TRP A 11 -9.447 21.138 10.558 1.00 0.00 H new ATOM 0 HA TRP A 11 -7.189 19.406 10.377 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.106 22.289 9.540 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.476 20.874 8.719 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.074 19.646 6.987 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -10.408 20.169 6.001 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.445 23.355 10.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -12.521 21.937 6.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.646 24.418 9.940 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -13.165 23.716 8.135 1.00 0.00 H new ATOM 140 N GLN A 12 -6.983 22.046 12.328 1.00 0.00 N ATOM 141 CA GLN A 12 -6.186 22.670 13.377 1.00 0.00 C ATOM 142 C GLN A 12 -5.367 21.628 14.132 1.00 0.00 C ATOM 143 O GLN A 12 -4.165 21.796 14.330 1.00 0.00 O ATOM 144 CB GLN A 12 -7.090 23.429 14.351 1.00 0.00 C ATOM 145 CG GLN A 12 -7.708 24.684 13.755 1.00 0.00 C ATOM 146 CD GLN A 12 -8.933 24.388 12.914 1.00 0.00 C ATOM 147 OE1 GLN A 12 -9.466 23.278 12.940 1.00 0.00 O ATOM 148 NE2 GLN A 12 -9.389 25.383 12.161 1.00 0.00 N ATOM 0 H GLN A 12 -7.892 22.481 12.173 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.499 23.373 12.906 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.887 22.765 14.686 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.511 23.703 15.233 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.981 25.367 14.559 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.965 25.194 13.141 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.917 26.287 12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.211 25.243 11.574 1.00 0.00 H new ATOM 157 N GLN A 13 -6.028 20.553 14.549 1.00 0.00 N ATOM 158 CA GLN A 13 -5.360 19.484 15.283 1.00 0.00 C ATOM 159 C GLN A 13 -4.725 18.481 14.326 1.00 0.00 C ATOM 160 O GLN A 13 -5.373 17.530 13.889 1.00 0.00 O ATOM 161 CB GLN A 13 -6.353 18.771 16.203 1.00 0.00 C ATOM 162 CG GLN A 13 -5.698 18.088 17.392 1.00 0.00 C ATOM 163 CD GLN A 13 -6.696 17.360 18.270 1.00 0.00 C ATOM 164 OE1 GLN A 13 -6.683 16.131 18.358 1.00 0.00 O ATOM 165 NE2 GLN A 13 -7.570 18.115 18.926 1.00 0.00 N ATOM 0 H GLN A 13 -7.024 20.399 14.392 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.571 19.931 15.888 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.083 19.495 16.567 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.902 18.028 15.625 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.951 17.380 17.033 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.171 18.832 17.988 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.545 19.130 18.824 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.266 17.680 19.532 1.00 0.00 H new ATOM 174 N ARG A 14 -3.454 18.700 14.005 1.00 0.00 N ATOM 175 CA ARG A 14 -2.732 17.816 13.098 1.00 0.00 C ATOM 176 C ARG A 14 -1.987 16.734 13.873 1.00 0.00 C ATOM 177 O ARG A 14 -1.202 17.031 14.774 1.00 0.00 O ATOM 178 CB ARG A 14 -1.747 18.619 12.246 1.00 0.00 C ATOM 179 CG ARG A 14 -2.419 19.523 11.227 1.00 0.00 C ATOM 180 CD ARG A 14 -1.406 20.144 10.278 1.00 0.00 C ATOM 181 NE ARG A 14 -0.662 21.232 10.908 1.00 0.00 N ATOM 182 CZ ARG A 14 0.331 21.884 10.312 1.00 0.00 C ATOM 183 NH1 ARG A 14 0.696 21.561 9.080 1.00 0.00 N ATOM 184 NH2 ARG A 14 0.960 22.863 10.951 1.00 0.00 N ATOM 0 H ARG A 14 -2.903 19.482 14.360 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.459 17.335 12.444 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.123 19.226 12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.084 17.929 11.725 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.150 18.950 10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.966 20.312 11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.709 19.377 9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.921 20.521 9.394 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.918 21.506 11.856 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.214 20.810 8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.459 22.064 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.681 23.115 11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.722 23.363 10.494 1.00 0.00 H new ATOM 198 N GLU A 15 -2.238 15.478 13.517 1.00 0.00 N ATOM 199 CA GLU A 15 -1.592 14.352 14.180 1.00 0.00 C ATOM 200 C GLU A 15 -0.081 14.556 14.250 1.00 0.00 C ATOM 201 O GLU A 15 0.466 15.449 13.602 1.00 0.00 O ATOM 202 CB GLU A 15 -1.908 13.048 13.445 1.00 0.00 C ATOM 203 CG GLU A 15 -1.182 12.906 12.118 1.00 0.00 C ATOM 204 CD GLU A 15 -0.961 11.458 11.726 1.00 0.00 C ATOM 205 OE1 GLU A 15 -1.839 10.886 11.047 1.00 0.00 O ATOM 206 OE2 GLU A 15 0.091 10.896 12.099 1.00 0.00 O ATOM 0 H GLU A 15 -2.884 15.215 12.773 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.981 14.291 15.196 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.644 12.207 14.086 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.982 12.991 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.757 13.406 11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.219 13.413 12.179 1.00 0.00 H new ATOM 213 N ARG A 16 0.587 13.722 15.040 1.00 0.00 N ATOM 214 CA ARG A 16 2.034 13.811 15.196 1.00 0.00 C ATOM 215 C ARG A 16 2.712 12.531 14.717 1.00 0.00 C ATOM 216 O ARG A 16 2.047 11.585 14.295 1.00 0.00 O ATOM 217 CB ARG A 16 2.395 14.076 16.659 1.00 0.00 C ATOM 218 CG ARG A 16 2.276 15.537 17.061 1.00 0.00 C ATOM 219 CD ARG A 16 3.204 15.875 18.217 1.00 0.00 C ATOM 220 NE ARG A 16 2.580 15.617 19.512 1.00 0.00 N ATOM 221 CZ ARG A 16 1.704 16.437 20.082 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.350 17.561 19.474 1.00 0.00 N ATOM 223 NH2 ARG A 16 1.180 16.134 21.263 1.00 0.00 N ATOM 0 H ARG A 16 0.149 12.977 15.582 1.00 0.00 H new ATOM 0 HA ARG A 16 2.390 14.641 14.585 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.746 13.478 17.299 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.416 13.741 16.839 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.512 16.171 16.206 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.246 15.755 17.344 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.118 15.288 18.132 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.492 16.924 18.156 1.00 0.00 H new ATOM 0 HE ARG A 16 2.831 14.760 20.006 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.751 17.798 18.566 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.677 18.189 19.914 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.450 15.271 21.734 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.508 16.765 21.699 1.00 0.00 H new ATOM 237 N ARG A 17 4.039 12.509 14.786 1.00 0.00 N ATOM 238 CA ARG A 17 4.808 11.346 14.358 1.00 0.00 C ATOM 239 C ARG A 17 5.933 11.046 15.344 1.00 0.00 C ATOM 240 O ARG A 17 6.480 11.952 15.973 1.00 0.00 O ATOM 241 CB ARG A 17 5.387 11.577 12.962 1.00 0.00 C ATOM 242 CG ARG A 17 6.449 12.664 12.914 1.00 0.00 C ATOM 243 CD ARG A 17 7.210 12.642 11.598 1.00 0.00 C ATOM 244 NE ARG A 17 8.129 13.771 11.479 1.00 0.00 N ATOM 245 CZ ARG A 17 8.662 14.166 10.328 1.00 0.00 C ATOM 246 NH1 ARG A 17 8.370 13.526 9.204 1.00 0.00 N ATOM 247 NH2 ARG A 17 9.490 15.203 10.300 1.00 0.00 N ATOM 0 H ARG A 17 4.604 13.283 15.134 1.00 0.00 H new ATOM 0 HA ARG A 17 4.136 10.488 14.328 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.817 10.644 12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.578 11.842 12.282 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.980 13.639 13.048 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.146 12.530 13.741 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.769 11.710 11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.502 12.662 10.769 1.00 0.00 H new ATOM 0 HE ARG A 17 8.375 14.284 12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.735 12.728 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.781 13.831 8.322 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.718 15.697 11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.899 15.506 9.416 1.00 0.00 H new ATOM 261 N ARG A 18 6.273 9.767 15.474 1.00 0.00 N ATOM 262 CA ARG A 18 7.331 9.347 16.384 1.00 0.00 C ATOM 263 C ARG A 18 8.562 8.884 15.610 1.00 0.00 C ATOM 264 O ARG A 18 9.672 9.363 15.844 1.00 0.00 O ATOM 265 CB ARG A 18 6.834 8.222 17.293 1.00 0.00 C ATOM 266 CG ARG A 18 7.715 7.987 18.510 1.00 0.00 C ATOM 267 CD ARG A 18 7.268 8.832 19.692 1.00 0.00 C ATOM 268 NE ARG A 18 8.111 8.619 20.866 1.00 0.00 N ATOM 269 CZ ARG A 18 7.756 8.969 22.098 1.00 0.00 C ATOM 270 NH1 ARG A 18 6.582 9.544 22.315 1.00 0.00 N ATOM 271 NH2 ARG A 18 8.578 8.742 23.115 1.00 0.00 N ATOM 0 H ARG A 18 5.831 9.005 14.961 1.00 0.00 H new ATOM 0 HA ARG A 18 7.610 10.204 16.997 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.823 8.456 17.627 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.774 7.300 16.715 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.686 6.932 18.784 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.750 8.224 18.263 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.292 9.886 19.414 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.234 8.591 19.939 1.00 0.00 H new ATOM 0 HE ARG A 18 9.021 8.178 20.733 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.948 9.719 21.535 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.312 9.811 23.262 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.482 8.299 22.951 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.306 9.011 24.061 1.00 0.00 H new ATOM 285 N TYR A 19 8.358 7.950 14.688 1.00 0.00 N ATOM 286 CA TYR A 19 9.451 7.420 13.882 1.00 0.00 C ATOM 287 C TYR A 19 9.408 7.987 12.466 1.00 0.00 C ATOM 288 O TYR A 19 8.368 8.455 12.002 1.00 0.00 O ATOM 289 CB TYR A 19 9.382 5.893 13.833 1.00 0.00 C ATOM 290 CG TYR A 19 9.818 5.226 15.118 1.00 0.00 C ATOM 291 CD1 TYR A 19 9.048 5.325 16.271 1.00 0.00 C ATOM 292 CD2 TYR A 19 10.998 4.496 15.180 1.00 0.00 C ATOM 293 CE1 TYR A 19 9.443 4.718 17.448 1.00 0.00 C ATOM 294 CE2 TYR A 19 11.400 3.884 16.352 1.00 0.00 C ATOM 295 CZ TYR A 19 10.619 3.999 17.483 1.00 0.00 C ATOM 296 OH TYR A 19 11.015 3.392 18.653 1.00 0.00 O ATOM 0 H TYR A 19 7.446 7.544 14.480 1.00 0.00 H new ATOM 0 HA TYR A 19 10.390 7.720 14.347 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.360 5.591 13.605 1.00 0.00 H new ATOM 0 HB3 TYR A 19 10.009 5.535 13.017 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.125 5.886 16.247 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.612 4.405 14.296 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.834 4.806 18.335 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.320 3.319 16.382 1.00 0.00 H new ATOM 0 HH TYR A 19 11.864 2.925 18.508 1.00 0.00 H new ATOM 306 N LYS A 20 10.547 7.942 11.783 1.00 0.00 N ATOM 307 CA LYS A 20 10.642 8.449 10.419 1.00 0.00 C ATOM 308 C LYS A 20 11.752 7.738 9.651 1.00 0.00 C ATOM 309 O LYS A 20 12.775 7.362 10.224 1.00 0.00 O ATOM 310 CB LYS A 20 10.900 9.957 10.431 1.00 0.00 C ATOM 311 CG LYS A 20 11.117 10.548 9.048 1.00 0.00 C ATOM 312 CD LYS A 20 11.393 12.040 9.116 1.00 0.00 C ATOM 313 CE LYS A 20 11.759 12.603 7.751 1.00 0.00 C ATOM 314 NZ LYS A 20 11.928 14.082 7.787 1.00 0.00 N ATOM 0 H LYS A 20 11.418 7.559 12.152 1.00 0.00 H new ATOM 0 HA LYS A 20 9.694 8.253 9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.055 10.458 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.776 10.162 11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.953 10.044 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.236 10.368 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.513 12.557 9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.205 12.229 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.683 12.140 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.982 12.344 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.177 14.426 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.039 14.526 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.686 14.329 8.454 1.00 0.00 H new ATOM 328 N CYS A 21 11.544 7.558 8.351 1.00 0.00 N ATOM 329 CA CYS A 21 12.527 6.894 7.504 1.00 0.00 C ATOM 330 C CYS A 21 13.310 7.911 6.678 1.00 0.00 C ATOM 331 O CYS A 21 13.049 8.094 5.489 1.00 0.00 O ATOM 332 CB CYS A 21 11.837 5.891 6.577 1.00 0.00 C ATOM 333 SG CYS A 21 12.930 4.565 5.971 1.00 0.00 S ATOM 0 H CYS A 21 10.703 7.863 7.861 1.00 0.00 H new ATOM 0 HA CYS A 21 13.226 6.362 8.150 1.00 0.00 H new ATOM 0 HB2 CYS A 21 10.997 5.441 7.107 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.425 6.427 5.722 1.00 0.00 H new ATOM 338 N ASP A 22 14.270 8.570 7.318 1.00 0.00 N ATOM 339 CA ASP A 22 15.092 9.568 6.643 1.00 0.00 C ATOM 340 C ASP A 22 15.433 9.123 5.224 1.00 0.00 C ATOM 341 O ASP A 22 15.609 9.949 4.330 1.00 0.00 O ATOM 342 CB ASP A 22 16.377 9.820 7.434 1.00 0.00 C ATOM 343 CG ASP A 22 16.123 9.964 8.921 1.00 0.00 C ATOM 344 OD1 ASP A 22 15.833 11.094 9.368 1.00 0.00 O ATOM 345 OD2 ASP A 22 16.212 8.946 9.639 1.00 0.00 O ATOM 0 H ASP A 22 14.498 8.431 8.302 1.00 0.00 H new ATOM 0 HA ASP A 22 14.521 10.495 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.071 8.997 7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.858 10.724 7.061 1.00 0.00 H new ATOM 350 N GLU A 23 15.525 7.811 5.027 1.00 0.00 N ATOM 351 CA GLU A 23 15.846 7.257 3.717 1.00 0.00 C ATOM 352 C GLU A 23 14.962 7.871 2.635 1.00 0.00 C ATOM 353 O GLU A 23 15.446 8.277 1.578 1.00 0.00 O ATOM 354 CB GLU A 23 15.677 5.736 3.726 1.00 0.00 C ATOM 355 CG GLU A 23 16.885 4.993 4.272 1.00 0.00 C ATOM 356 CD GLU A 23 18.122 5.182 3.414 1.00 0.00 C ATOM 357 OE1 GLU A 23 18.791 6.226 3.561 1.00 0.00 O ATOM 358 OE2 GLU A 23 18.420 4.286 2.597 1.00 0.00 O ATOM 0 H GLU A 23 15.382 7.113 5.757 1.00 0.00 H new ATOM 0 HA GLU A 23 16.885 7.499 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.802 5.480 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.480 5.395 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.093 5.339 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.653 3.930 4.340 1.00 0.00 H new ATOM 365 N CYS A 24 13.663 7.934 2.906 1.00 0.00 N ATOM 366 CA CYS A 24 12.710 8.497 1.957 1.00 0.00 C ATOM 367 C CYS A 24 11.985 9.696 2.561 1.00 0.00 C ATOM 368 O CYS A 24 11.854 10.741 1.924 1.00 0.00 O ATOM 369 CB CYS A 24 11.694 7.435 1.532 1.00 0.00 C ATOM 370 SG CYS A 24 11.125 6.364 2.891 1.00 0.00 S ATOM 0 H CYS A 24 13.246 7.602 3.776 1.00 0.00 H new ATOM 0 HA CYS A 24 13.264 8.833 1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.830 7.931 1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.138 6.813 0.755 1.00 0.00 H new ATOM 375 N GLY A 25 11.516 9.538 3.795 1.00 0.00 N ATOM 376 CA GLY A 25 10.810 10.615 4.464 1.00 0.00 C ATOM 377 C GLY A 25 9.493 10.161 5.063 1.00 0.00 C ATOM 378 O GLY A 25 8.677 10.982 5.482 1.00 0.00 O ATOM 0 H GLY A 25 11.612 8.683 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.442 11.025 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.624 11.420 3.753 1.00 0.00 H new ATOM 382 N LYS A 26 9.284 8.850 5.103 1.00 0.00 N ATOM 383 CA LYS A 26 8.057 8.287 5.654 1.00 0.00 C ATOM 384 C LYS A 26 8.047 8.389 7.176 1.00 0.00 C ATOM 385 O LYS A 26 9.083 8.627 7.799 1.00 0.00 O ATOM 386 CB LYS A 26 7.907 6.824 5.230 1.00 0.00 C ATOM 387 CG LYS A 26 6.465 6.395 5.026 1.00 0.00 C ATOM 388 CD LYS A 26 6.035 6.555 3.577 1.00 0.00 C ATOM 389 CE LYS A 26 4.554 6.885 3.468 1.00 0.00 C ATOM 390 NZ LYS A 26 3.705 5.838 4.101 1.00 0.00 N ATOM 0 H LYS A 26 9.949 8.157 4.760 1.00 0.00 H new ATOM 0 HA LYS A 26 7.217 8.860 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.459 6.664 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.363 6.186 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.348 5.354 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.814 6.989 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.620 7.346 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.245 5.636 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.360 7.846 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.281 6.988 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.705 6.028 3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.968 4.904 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.849 5.850 5.131 1.00 0.00 H new ATOM 404 N SER A 27 6.872 8.208 7.770 1.00 0.00 N ATOM 405 CA SER A 27 6.728 8.282 9.219 1.00 0.00 C ATOM 406 C SER A 27 5.704 7.266 9.716 1.00 0.00 C ATOM 407 O SER A 27 4.613 7.142 9.157 1.00 0.00 O ATOM 408 CB SER A 27 6.309 9.693 9.639 1.00 0.00 C ATOM 409 OG SER A 27 5.062 10.047 9.066 1.00 0.00 O ATOM 0 H SER A 27 6.006 8.009 7.270 1.00 0.00 H new ATOM 0 HA SER A 27 7.693 8.048 9.668 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.242 9.747 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.071 10.409 9.330 1.00 0.00 H new ATOM 0 HG SER A 27 4.556 9.234 8.855 1.00 0.00 H new ATOM 415 N PHE A 28 6.062 6.541 10.770 1.00 0.00 N ATOM 416 CA PHE A 28 5.176 5.535 11.343 1.00 0.00 C ATOM 417 C PHE A 28 5.085 5.690 12.858 1.00 0.00 C ATOM 418 O PHE A 28 6.064 6.039 13.517 1.00 0.00 O ATOM 419 CB PHE A 28 5.670 4.130 10.991 1.00 0.00 C ATOM 420 CG PHE A 28 6.070 3.978 9.552 1.00 0.00 C ATOM 421 CD1 PHE A 28 7.265 4.507 9.091 1.00 0.00 C ATOM 422 CD2 PHE A 28 5.251 3.306 8.659 1.00 0.00 C ATOM 423 CE1 PHE A 28 7.637 4.369 7.767 1.00 0.00 C ATOM 424 CE2 PHE A 28 5.617 3.164 7.333 1.00 0.00 C ATOM 425 CZ PHE A 28 6.811 3.697 6.887 1.00 0.00 C ATOM 0 H PHE A 28 6.960 6.631 11.245 1.00 0.00 H new ATOM 0 HA PHE A 28 4.182 5.679 10.921 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.522 3.884 11.625 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.885 3.410 11.219 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.914 5.034 9.775 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.316 2.888 9.002 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.571 4.786 7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.970 2.637 6.647 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.098 3.588 5.852 1.00 0.00 H new ATOM 435 N SER A 29 3.901 5.428 13.403 1.00 0.00 N ATOM 436 CA SER A 29 3.680 5.542 14.840 1.00 0.00 C ATOM 437 C SER A 29 4.459 4.471 15.597 1.00 0.00 C ATOM 438 O SER A 29 5.101 4.752 16.609 1.00 0.00 O ATOM 439 CB SER A 29 2.188 5.424 15.158 1.00 0.00 C ATOM 440 OG SER A 29 1.441 6.416 14.476 1.00 0.00 O ATOM 0 H SER A 29 3.081 5.136 12.872 1.00 0.00 H new ATOM 0 HA SER A 29 4.037 6.521 15.161 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.830 4.435 14.873 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.033 5.522 16.232 1.00 0.00 H new ATOM 0 HG SER A 29 0.491 6.318 14.695 1.00 0.00 H new ATOM 446 N HIS A 30 4.398 3.240 15.098 1.00 0.00 N ATOM 447 CA HIS A 30 5.098 2.125 15.726 1.00 0.00 C ATOM 448 C HIS A 30 6.406 1.827 15.000 1.00 0.00 C ATOM 449 O HIS A 30 6.497 1.969 13.781 1.00 0.00 O ATOM 450 CB HIS A 30 4.211 0.879 15.736 1.00 0.00 C ATOM 451 CG HIS A 30 4.430 -0.002 16.927 1.00 0.00 C ATOM 452 ND1 HIS A 30 5.398 -0.984 16.969 1.00 0.00 N ATOM 453 CD2 HIS A 30 3.801 -0.045 18.125 1.00 0.00 C ATOM 454 CE1 HIS A 30 5.353 -1.593 18.141 1.00 0.00 C ATOM 455 NE2 HIS A 30 4.393 -1.042 18.861 1.00 0.00 N ATOM 0 H HIS A 30 3.871 2.990 14.261 1.00 0.00 H new ATOM 0 HA HIS A 30 5.329 2.405 16.754 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.166 1.187 15.709 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.397 0.303 14.829 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.985 0.587 18.443 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.993 -2.404 18.456 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.133 -1.313 19.810 1.00 0.00 H new ATOM 463 N SER A 31 7.417 1.414 15.758 1.00 0.00 N ATOM 464 CA SER A 31 8.722 1.101 15.187 1.00 0.00 C ATOM 465 C SER A 31 8.650 -0.157 14.326 1.00 0.00 C ATOM 466 O SER A 31 9.053 -0.150 13.163 1.00 0.00 O ATOM 467 CB SER A 31 9.757 0.913 16.299 1.00 0.00 C ATOM 468 OG SER A 31 9.405 -0.167 17.146 1.00 0.00 O ATOM 0 H SER A 31 7.358 1.288 16.768 1.00 0.00 H new ATOM 0 HA SER A 31 9.025 1.936 14.556 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.738 0.730 15.860 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.836 1.828 16.885 1.00 0.00 H new ATOM 0 HG SER A 31 10.083 -0.267 17.847 1.00 0.00 H new ATOM 474 N SER A 32 8.134 -1.235 14.907 1.00 0.00 N ATOM 475 CA SER A 32 8.013 -2.502 14.195 1.00 0.00 C ATOM 476 C SER A 32 7.562 -2.275 12.755 1.00 0.00 C ATOM 477 O SER A 32 8.178 -2.776 11.814 1.00 0.00 O ATOM 478 CB SER A 32 7.022 -3.421 14.912 1.00 0.00 C ATOM 479 OG SER A 32 7.643 -4.095 15.994 1.00 0.00 O ATOM 0 H SER A 32 7.793 -1.257 15.868 1.00 0.00 H new ATOM 0 HA SER A 32 8.994 -2.977 14.180 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.179 -2.836 15.279 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.621 -4.150 14.207 1.00 0.00 H new ATOM 0 HG SER A 32 6.989 -4.675 16.437 1.00 0.00 H new ATOM 485 N ASP A 33 6.484 -1.517 12.592 1.00 0.00 N ATOM 486 CA ASP A 33 5.950 -1.222 11.267 1.00 0.00 C ATOM 487 C ASP A 33 7.028 -0.628 10.367 1.00 0.00 C ATOM 488 O ASP A 33 7.261 -1.110 9.258 1.00 0.00 O ATOM 489 CB ASP A 33 4.768 -0.257 11.374 1.00 0.00 C ATOM 490 CG ASP A 33 3.536 -0.913 11.967 1.00 0.00 C ATOM 491 OD1 ASP A 33 3.578 -1.285 13.158 1.00 0.00 O ATOM 492 OD2 ASP A 33 2.531 -1.053 11.240 1.00 0.00 O ATOM 0 H ASP A 33 5.962 -1.095 13.360 1.00 0.00 H new ATOM 0 HA ASP A 33 5.607 -2.157 10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.054 0.596 11.990 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.529 0.131 10.384 1.00 0.00 H new ATOM 497 N LEU A 34 7.683 0.423 10.850 1.00 0.00 N ATOM 498 CA LEU A 34 8.736 1.084 10.089 1.00 0.00 C ATOM 499 C LEU A 34 9.748 0.070 9.564 1.00 0.00 C ATOM 500 O LEU A 34 10.222 0.180 8.433 1.00 0.00 O ATOM 501 CB LEU A 34 9.444 2.125 10.958 1.00 0.00 C ATOM 502 CG LEU A 34 10.772 2.658 10.419 1.00 0.00 C ATOM 503 CD1 LEU A 34 10.557 3.400 9.109 1.00 0.00 C ATOM 504 CD2 LEU A 34 11.438 3.564 11.445 1.00 0.00 C ATOM 0 H LEU A 34 7.503 0.835 11.765 1.00 0.00 H new ATOM 0 HA LEU A 34 8.275 1.584 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.769 2.968 11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.623 1.688 11.940 1.00 0.00 H new ATOM 0 HG LEU A 34 11.432 1.811 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.513 3.772 8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.124 2.722 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.880 4.238 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.382 3.934 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.782 4.406 11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.627 3.001 12.359 1.00 0.00 H new ATOM 516 N SER A 35 10.072 -0.918 10.392 1.00 0.00 N ATOM 517 CA SER A 35 11.028 -1.951 10.012 1.00 0.00 C ATOM 518 C SER A 35 10.562 -2.689 8.761 1.00 0.00 C ATOM 519 O SER A 35 11.361 -3.013 7.882 1.00 0.00 O ATOM 520 CB SER A 35 11.222 -2.943 11.160 1.00 0.00 C ATOM 521 OG SER A 35 12.156 -3.950 10.812 1.00 0.00 O ATOM 0 H SER A 35 9.686 -1.025 11.330 1.00 0.00 H new ATOM 0 HA SER A 35 11.980 -1.467 9.794 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.568 -2.413 12.048 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.266 -3.401 11.414 1.00 0.00 H new ATOM 0 HG SER A 35 12.263 -4.570 11.563 1.00 0.00 H new ATOM 527 N LYS A 36 9.261 -2.952 8.687 1.00 0.00 N ATOM 528 CA LYS A 36 8.686 -3.650 7.544 1.00 0.00 C ATOM 529 C LYS A 36 8.659 -2.750 6.313 1.00 0.00 C ATOM 530 O LYS A 36 8.651 -3.231 5.179 1.00 0.00 O ATOM 531 CB LYS A 36 7.268 -4.126 7.872 1.00 0.00 C ATOM 532 CG LYS A 36 7.210 -5.114 9.025 1.00 0.00 C ATOM 533 CD LYS A 36 5.814 -5.690 9.195 1.00 0.00 C ATOM 534 CE LYS A 36 4.870 -4.684 9.835 1.00 0.00 C ATOM 535 NZ LYS A 36 4.424 -3.647 8.864 1.00 0.00 N ATOM 0 H LYS A 36 8.585 -2.692 9.406 1.00 0.00 H new ATOM 0 HA LYS A 36 9.312 -4.515 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.650 -3.261 8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.835 -4.589 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.919 -5.923 8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.515 -4.618 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.423 -5.991 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.862 -6.588 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.000 -5.205 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.368 -4.203 10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.430 -3.403 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.014 -2.797 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.516 -4.015 7.896 1.00 0.00 H new ATOM 549 N HIS A 37 8.646 -1.441 6.543 1.00 0.00 N ATOM 550 CA HIS A 37 8.622 -0.473 5.452 1.00 0.00 C ATOM 551 C HIS A 37 9.974 -0.416 4.747 1.00 0.00 C ATOM 552 O HIS A 37 10.074 -0.697 3.553 1.00 0.00 O ATOM 553 CB HIS A 37 8.250 0.913 5.980 1.00 0.00 C ATOM 554 CG HIS A 37 8.847 2.036 5.188 1.00 0.00 C ATOM 555 ND1 HIS A 37 8.243 2.573 4.072 1.00 0.00 N ATOM 556 CD2 HIS A 37 10.000 2.724 5.359 1.00 0.00 C ATOM 557 CE1 HIS A 37 8.999 3.542 3.588 1.00 0.00 C ATOM 558 NE2 HIS A 37 10.071 3.654 4.351 1.00 0.00 N ATOM 0 H HIS A 37 8.652 -1.026 7.475 1.00 0.00 H new ATOM 0 HA HIS A 37 7.869 -0.793 4.731 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.165 1.014 5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.576 0.997 7.017 1.00 0.00 H new ATOM 0 HD1 HIS A 37 7.351 2.270 3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.728 2.570 6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.778 4.141 2.717 1.00 0.00 H new ATOM 566 N ARG A 38 11.010 -0.049 5.494 1.00 0.00 N ATOM 567 CA ARG A 38 12.355 0.047 4.940 1.00 0.00 C ATOM 568 C ARG A 38 12.601 -1.057 3.915 1.00 0.00 C ATOM 569 O ARG A 38 13.402 -0.895 2.994 1.00 0.00 O ATOM 570 CB ARG A 38 13.397 -0.039 6.056 1.00 0.00 C ATOM 571 CG ARG A 38 13.770 1.312 6.646 1.00 0.00 C ATOM 572 CD ARG A 38 12.859 1.683 7.806 1.00 0.00 C ATOM 573 NE ARG A 38 13.268 1.039 9.051 1.00 0.00 N ATOM 574 CZ ARG A 38 14.341 1.399 9.746 1.00 0.00 C ATOM 575 NH1 ARG A 38 15.109 2.392 9.320 1.00 0.00 N ATOM 576 NH2 ARG A 38 14.648 0.764 10.871 1.00 0.00 N ATOM 0 H ARG A 38 10.944 0.187 6.484 1.00 0.00 H new ATOM 0 HA ARG A 38 12.446 1.011 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.014 -0.680 6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.296 -0.517 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.805 1.288 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.707 2.078 5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.864 2.765 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.835 1.396 7.569 1.00 0.00 H new ATOM 0 HE ARG A 38 12.699 0.271 9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.877 2.882 8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.932 2.666 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.060 -0.001 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.472 1.041 11.404 1.00 0.00 H new ATOM 590 N ARG A 39 11.906 -2.177 4.081 1.00 0.00 N ATOM 591 CA ARG A 39 12.050 -3.308 3.172 1.00 0.00 C ATOM 592 C ARG A 39 11.599 -2.933 1.763 1.00 0.00 C ATOM 593 O ARG A 39 12.293 -3.207 0.783 1.00 0.00 O ATOM 594 CB ARG A 39 11.239 -4.503 3.678 1.00 0.00 C ATOM 595 CG ARG A 39 11.701 -5.024 5.028 1.00 0.00 C ATOM 596 CD ARG A 39 10.829 -6.173 5.510 1.00 0.00 C ATOM 597 NE ARG A 39 10.851 -7.302 4.584 1.00 0.00 N ATOM 598 CZ ARG A 39 10.091 -8.382 4.723 1.00 0.00 C ATOM 599 NH1 ARG A 39 9.253 -8.480 5.746 1.00 0.00 N ATOM 600 NH2 ARG A 39 10.168 -9.368 3.839 1.00 0.00 N ATOM 0 H ARG A 39 11.237 -2.326 4.837 1.00 0.00 H new ATOM 0 HA ARG A 39 13.104 -3.582 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.190 -4.216 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.300 -5.309 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.736 -5.357 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.676 -4.216 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.172 -6.502 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.804 -5.824 5.632 1.00 0.00 H new ATOM 0 HE ARG A 39 11.485 -7.259 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.191 -7.725 6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.670 -9.311 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.812 -9.297 3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.583 -10.197 3.947 1.00 0.00 H new ATOM 614 N THR A 40 10.431 -2.305 1.668 1.00 0.00 N ATOM 615 CA THR A 40 9.886 -1.894 0.381 1.00 0.00 C ATOM 616 C THR A 40 10.963 -1.265 -0.496 1.00 0.00 C ATOM 617 O THR A 40 10.896 -1.332 -1.724 1.00 0.00 O ATOM 618 CB THR A 40 8.730 -0.891 0.554 1.00 0.00 C ATOM 619 OG1 THR A 40 7.929 -0.857 -0.633 1.00 0.00 O ATOM 620 CG2 THR A 40 9.262 0.502 0.853 1.00 0.00 C ATOM 0 H THR A 40 9.844 -2.070 2.468 1.00 0.00 H new ATOM 0 HA THR A 40 9.506 -2.794 -0.103 1.00 0.00 H new ATOM 0 HB THR A 40 8.118 -1.217 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.598 -1.758 -0.831 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.427 1.193 0.971 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.846 0.479 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.894 0.834 0.030 1.00 0.00 H new ATOM 628 N HIS A 41 11.956 -0.653 0.141 1.00 0.00 N ATOM 629 CA HIS A 41 13.049 -0.012 -0.582 1.00 0.00 C ATOM 630 C HIS A 41 13.679 -0.977 -1.581 1.00 0.00 C ATOM 631 O HIS A 41 13.861 -0.644 -2.753 1.00 0.00 O ATOM 632 CB HIS A 41 14.110 0.492 0.397 1.00 0.00 C ATOM 633 CG HIS A 41 13.684 1.700 1.173 1.00 0.00 C ATOM 634 ND1 HIS A 41 13.168 2.833 0.579 1.00 0.00 N ATOM 635 CD2 HIS A 41 13.697 1.947 2.504 1.00 0.00 C ATOM 636 CE1 HIS A 41 12.885 3.725 1.511 1.00 0.00 C ATOM 637 NE2 HIS A 41 13.196 3.213 2.688 1.00 0.00 N ATOM 0 H HIS A 41 12.027 -0.587 1.156 1.00 0.00 H new ATOM 0 HA HIS A 41 12.640 0.836 -1.131 1.00 0.00 H new ATOM 0 HB2 HIS A 41 14.359 -0.308 1.094 1.00 0.00 H new ATOM 0 HB3 HIS A 41 15.020 0.728 -0.155 1.00 0.00 H new ATOM 0 HD1 HIS A 41 13.027 2.962 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.038 1.274 3.277 1.00 0.00 H new ATOM 0 HE1 HIS A 41 12.470 4.707 1.340 1.00 0.00 H new ATOM 645 N THR A 42 14.011 -2.176 -1.111 1.00 0.00 N ATOM 646 CA THR A 42 14.622 -3.188 -1.962 1.00 0.00 C ATOM 647 C THR A 42 13.613 -4.264 -2.348 1.00 0.00 C ATOM 648 O THR A 42 12.807 -4.696 -1.525 1.00 0.00 O ATOM 649 CB THR A 42 15.825 -3.854 -1.268 1.00 0.00 C ATOM 650 OG1 THR A 42 16.414 -4.829 -2.136 1.00 0.00 O ATOM 651 CG2 THR A 42 15.400 -4.518 0.034 1.00 0.00 C ATOM 0 H THR A 42 13.866 -2.469 -0.145 1.00 0.00 H new ATOM 0 HA THR A 42 14.967 -2.678 -2.861 1.00 0.00 H new ATOM 0 HB THR A 42 16.558 -3.080 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.179 -5.246 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.266 -4.981 0.506 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.979 -3.768 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.649 -5.280 -0.174 1.00 0.00 H new ATOM 659 N GLY A 43 13.664 -4.694 -3.605 1.00 0.00 N ATOM 660 CA GLY A 43 12.750 -5.716 -4.078 1.00 0.00 C ATOM 661 C GLY A 43 11.305 -5.260 -4.049 1.00 0.00 C ATOM 662 O GLY A 43 10.404 -6.048 -3.763 1.00 0.00 O ATOM 0 H GLY A 43 14.323 -4.352 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.019 -5.996 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.858 -6.609 -3.462 1.00 0.00 H new ATOM 666 N GLU A 44 11.083 -3.983 -4.344 1.00 0.00 N ATOM 667 CA GLU A 44 9.737 -3.423 -4.347 1.00 0.00 C ATOM 668 C GLU A 44 9.736 -2.012 -4.929 1.00 0.00 C ATOM 669 O GLU A 44 10.788 -1.459 -5.248 1.00 0.00 O ATOM 670 CB GLU A 44 9.165 -3.402 -2.928 1.00 0.00 C ATOM 671 CG GLU A 44 8.403 -4.665 -2.561 1.00 0.00 C ATOM 672 CD GLU A 44 7.290 -4.405 -1.564 1.00 0.00 C ATOM 673 OE1 GLU A 44 6.573 -3.395 -1.724 1.00 0.00 O ATOM 674 OE2 GLU A 44 7.137 -5.212 -0.624 1.00 0.00 O ATOM 0 H GLU A 44 11.818 -3.317 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 44 9.109 -4.057 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.980 -3.260 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.501 -2.544 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.981 -5.106 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.096 -5.395 -2.144 1.00 0.00 H new ATOM 681 N LYS A 45 8.546 -1.435 -5.063 1.00 0.00 N ATOM 682 CA LYS A 45 8.406 -0.088 -5.605 1.00 0.00 C ATOM 683 C LYS A 45 8.973 0.948 -4.640 1.00 0.00 C ATOM 684 O LYS A 45 8.862 0.823 -3.420 1.00 0.00 O ATOM 685 CB LYS A 45 6.934 0.217 -5.891 1.00 0.00 C ATOM 686 CG LYS A 45 6.466 -0.268 -7.252 1.00 0.00 C ATOM 687 CD LYS A 45 6.360 -1.783 -7.298 1.00 0.00 C ATOM 688 CE LYS A 45 5.855 -2.265 -8.649 1.00 0.00 C ATOM 689 NZ LYS A 45 4.379 -2.121 -8.774 1.00 0.00 N ATOM 0 H LYS A 45 7.665 -1.879 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 45 8.969 -0.037 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.319 -0.245 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.775 1.293 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.496 0.173 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.161 0.072 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.336 -2.224 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.686 -2.126 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.343 -1.699 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.131 -3.310 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.077 -2.445 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.911 -2.695 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.116 -1.122 -8.651 1.00 0.00 H new ATOM 703 N PRO A 46 9.595 1.998 -5.197 1.00 0.00 N ATOM 704 CA PRO A 46 10.190 3.078 -4.403 1.00 0.00 C ATOM 705 C PRO A 46 9.136 3.941 -3.717 1.00 0.00 C ATOM 706 O PRO A 46 9.464 4.904 -3.024 1.00 0.00 O ATOM 707 CB PRO A 46 10.959 3.898 -5.441 1.00 0.00 C ATOM 708 CG PRO A 46 10.262 3.629 -6.730 1.00 0.00 C ATOM 709 CD PRO A 46 9.764 2.213 -6.644 1.00 0.00 C ATOM 0 HA PRO A 46 10.813 2.695 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.943 4.960 -5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.006 3.597 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.436 4.325 -6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.941 3.753 -7.574 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.825 2.084 -7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.477 1.510 -7.074 1.00 0.00 H new ATOM 717 N TYR A 47 7.870 3.589 -3.913 1.00 0.00 N ATOM 718 CA TYR A 47 6.769 4.333 -3.314 1.00 0.00 C ATOM 719 C TYR A 47 5.688 3.387 -2.800 1.00 0.00 C ATOM 720 O TYR A 47 5.342 2.405 -3.457 1.00 0.00 O ATOM 721 CB TYR A 47 6.169 5.305 -4.332 1.00 0.00 C ATOM 722 CG TYR A 47 7.192 6.205 -4.986 1.00 0.00 C ATOM 723 CD1 TYR A 47 7.617 7.373 -4.365 1.00 0.00 C ATOM 724 CD2 TYR A 47 7.736 5.887 -6.225 1.00 0.00 C ATOM 725 CE1 TYR A 47 8.552 8.199 -4.960 1.00 0.00 C ATOM 726 CE2 TYR A 47 8.672 6.706 -6.826 1.00 0.00 C ATOM 727 CZ TYR A 47 9.076 7.861 -6.190 1.00 0.00 C ATOM 728 OH TYR A 47 10.008 8.680 -6.784 1.00 0.00 O ATOM 0 H TYR A 47 7.581 2.793 -4.482 1.00 0.00 H new ATOM 0 HA TYR A 47 7.163 4.898 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.652 4.736 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.420 5.922 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.210 7.640 -3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.421 4.984 -6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.870 9.104 -4.464 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.085 6.443 -7.789 1.00 0.00 H new ATOM 0 HH TYR A 47 10.277 8.299 -7.646 1.00 0.00 H new ATOM 738 N LYS A 48 5.159 3.690 -1.620 1.00 0.00 N ATOM 739 CA LYS A 48 4.116 2.869 -1.015 1.00 0.00 C ATOM 740 C LYS A 48 3.258 3.695 -0.062 1.00 0.00 C ATOM 741 O LYS A 48 3.734 4.657 0.543 1.00 0.00 O ATOM 742 CB LYS A 48 4.738 1.688 -0.266 1.00 0.00 C ATOM 743 CG LYS A 48 3.785 1.016 0.707 1.00 0.00 C ATOM 744 CD LYS A 48 2.730 0.199 -0.020 1.00 0.00 C ATOM 745 CE LYS A 48 3.189 -1.234 -0.241 1.00 0.00 C ATOM 746 NZ LYS A 48 2.587 -1.828 -1.467 1.00 0.00 N ATOM 0 H LYS A 48 5.435 4.498 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 48 3.478 2.489 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.084 0.951 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.615 2.036 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.347 0.369 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.300 1.773 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.805 0.201 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.507 0.663 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.276 -1.259 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.920 -1.839 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.280 -2.454 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.742 -2.377 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.318 -1.069 -2.125 1.00 0.00 H new ATOM 760 N CYS A 49 1.992 3.313 0.070 1.00 0.00 N ATOM 761 CA CYS A 49 1.068 4.017 0.951 1.00 0.00 C ATOM 762 C CYS A 49 0.714 3.161 2.164 1.00 0.00 C ATOM 763 O CYS A 49 0.912 1.946 2.158 1.00 0.00 O ATOM 764 CB CYS A 49 -0.205 4.395 0.191 1.00 0.00 C ATOM 765 SG CYS A 49 -1.429 5.298 1.194 1.00 0.00 S ATOM 0 H CYS A 49 1.582 2.519 -0.422 1.00 0.00 H new ATOM 0 HA CYS A 49 1.559 4.926 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.066 5.007 -0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.667 3.487 -0.196 1.00 0.00 H new ATOM 770 N ASP A 50 0.189 3.804 3.201 1.00 0.00 N ATOM 771 CA ASP A 50 -0.194 3.102 4.421 1.00 0.00 C ATOM 772 C ASP A 50 -1.710 3.094 4.589 1.00 0.00 C ATOM 773 O ASP A 50 -2.283 2.124 5.083 1.00 0.00 O ATOM 774 CB ASP A 50 0.464 3.755 5.638 1.00 0.00 C ATOM 775 CG ASP A 50 1.857 3.219 5.900 1.00 0.00 C ATOM 776 OD1 ASP A 50 2.119 2.048 5.551 1.00 0.00 O ATOM 777 OD2 ASP A 50 2.687 3.970 6.453 1.00 0.00 O ATOM 0 H ASP A 50 0.019 4.809 3.222 1.00 0.00 H new ATOM 0 HA ASP A 50 0.150 2.071 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.516 4.833 5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.158 3.587 6.517 1.00 0.00 H new ATOM 782 N GLU A 51 -2.352 4.183 4.176 1.00 0.00 N ATOM 783 CA GLU A 51 -3.802 4.301 4.284 1.00 0.00 C ATOM 784 C GLU A 51 -4.498 3.210 3.475 1.00 0.00 C ATOM 785 O GLU A 51 -5.400 2.534 3.970 1.00 0.00 O ATOM 786 CB GLU A 51 -4.260 5.679 3.803 1.00 0.00 C ATOM 787 CG GLU A 51 -4.035 6.784 4.821 1.00 0.00 C ATOM 788 CD GLU A 51 -4.555 6.423 6.199 1.00 0.00 C ATOM 789 OE1 GLU A 51 -5.711 5.962 6.295 1.00 0.00 O ATOM 790 OE2 GLU A 51 -3.805 6.602 7.182 1.00 0.00 O ATOM 0 H GLU A 51 -1.892 4.995 3.764 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.074 4.181 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.729 5.929 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.321 5.634 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.969 7.002 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.527 7.694 4.478 1.00 0.00 H new ATOM 797 N CYS A 52 -4.072 3.044 2.227 1.00 0.00 N ATOM 798 CA CYS A 52 -4.653 2.037 1.348 1.00 0.00 C ATOM 799 C CYS A 52 -3.754 0.807 1.259 1.00 0.00 C ATOM 800 O CYS A 52 -4.234 -0.325 1.230 1.00 0.00 O ATOM 801 CB CYS A 52 -4.879 2.619 -0.049 1.00 0.00 C ATOM 802 SG CYS A 52 -3.345 2.928 -0.982 1.00 0.00 S ATOM 0 H CYS A 52 -3.326 3.595 1.802 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.612 1.734 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.507 1.934 -0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.430 3.555 0.044 1.00 0.00 H new ATOM 807 N GLY A 53 -2.446 1.040 1.218 1.00 0.00 N ATOM 808 CA GLY A 53 -1.500 -0.058 1.134 1.00 0.00 C ATOM 809 C GLY A 53 -1.210 -0.465 -0.297 1.00 0.00 C ATOM 810 O GLY A 53 -1.164 -1.653 -0.616 1.00 0.00 O ATOM 0 H GLY A 53 -2.024 1.969 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.569 0.230 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.894 -0.915 1.680 1.00 0.00 H new ATOM 814 N LYS A 54 -1.016 0.523 -1.164 1.00 0.00 N ATOM 815 CA LYS A 54 -0.730 0.263 -2.570 1.00 0.00 C ATOM 816 C LYS A 54 0.663 0.760 -2.942 1.00 0.00 C ATOM 817 O LYS A 54 1.162 1.726 -2.367 1.00 0.00 O ATOM 818 CB LYS A 54 -1.778 0.938 -3.458 1.00 0.00 C ATOM 819 CG LYS A 54 -1.534 0.740 -4.944 1.00 0.00 C ATOM 820 CD LYS A 54 -2.619 1.397 -5.780 1.00 0.00 C ATOM 821 CE LYS A 54 -2.618 0.872 -7.208 1.00 0.00 C ATOM 822 NZ LYS A 54 -3.121 -0.527 -7.285 1.00 0.00 N ATOM 0 H LYS A 54 -1.052 1.512 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.767 -0.815 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.763 0.547 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.794 2.006 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.564 1.157 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.496 -0.326 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.592 1.213 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.470 2.477 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.238 1.516 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.606 0.917 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.345 -0.761 -8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.391 -1.178 -6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.978 -0.620 -6.704 1.00 0.00 H new ATOM 836 N ALA A 55 1.286 0.093 -3.909 1.00 0.00 N ATOM 837 CA ALA A 55 2.619 0.469 -4.360 1.00 0.00 C ATOM 838 C ALA A 55 2.555 1.275 -5.653 1.00 0.00 C ATOM 839 O ALA A 55 1.555 1.236 -6.371 1.00 0.00 O ATOM 840 CB ALA A 55 3.481 -0.770 -4.552 1.00 0.00 C ATOM 0 H ALA A 55 0.888 -0.711 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 55 3.070 1.097 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.474 -0.474 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.564 -1.306 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.023 -1.420 -5.298 1.00 0.00 H new ATOM 846 N PHE A 56 3.626 2.006 -5.943 1.00 0.00 N ATOM 847 CA PHE A 56 3.690 2.823 -7.149 1.00 0.00 C ATOM 848 C PHE A 56 5.123 2.923 -7.664 1.00 0.00 C ATOM 849 O PHE A 56 6.063 3.087 -6.885 1.00 0.00 O ATOM 850 CB PHE A 56 3.137 4.223 -6.872 1.00 0.00 C ATOM 851 CG PHE A 56 1.962 4.229 -5.936 1.00 0.00 C ATOM 852 CD1 PHE A 56 2.148 4.093 -4.570 1.00 0.00 C ATOM 853 CD2 PHE A 56 0.673 4.371 -6.422 1.00 0.00 C ATOM 854 CE1 PHE A 56 1.069 4.097 -3.706 1.00 0.00 C ATOM 855 CE2 PHE A 56 -0.410 4.377 -5.563 1.00 0.00 C ATOM 856 CZ PHE A 56 -0.211 4.241 -4.203 1.00 0.00 C ATOM 0 H PHE A 56 4.461 2.049 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 56 3.080 2.343 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.930 4.841 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.842 4.682 -7.816 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.147 3.983 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.512 4.478 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.227 3.988 -2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.410 4.488 -5.955 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.055 4.247 -3.529 1.00 0.00 H new ATOM 866 N ILE A 57 5.281 2.822 -8.979 1.00 0.00 N ATOM 867 CA ILE A 57 6.599 2.902 -9.597 1.00 0.00 C ATOM 868 C ILE A 57 7.037 4.352 -9.774 1.00 0.00 C ATOM 869 O ILE A 57 8.102 4.750 -9.303 1.00 0.00 O ATOM 870 CB ILE A 57 6.621 2.200 -10.968 1.00 0.00 C ATOM 871 CG1 ILE A 57 6.177 0.742 -10.826 1.00 0.00 C ATOM 872 CG2 ILE A 57 8.011 2.279 -11.582 1.00 0.00 C ATOM 873 CD1 ILE A 57 4.676 0.573 -10.737 1.00 0.00 C ATOM 0 H ILE A 57 4.514 2.685 -9.637 1.00 0.00 H new ATOM 0 HA ILE A 57 7.293 2.395 -8.927 1.00 0.00 H new ATOM 0 HB ILE A 57 5.923 2.710 -11.632 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.549 0.173 -11.678 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.636 0.316 -9.934 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.010 1.778 -12.550 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.292 3.324 -11.714 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.728 1.791 -10.922 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.434 -0.485 -10.638 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.300 1.114 -9.869 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.211 0.968 -11.640 1.00 0.00 H new ATOM 885 N GLN A 58 6.207 5.136 -10.455 1.00 0.00 N ATOM 886 CA GLN A 58 6.509 6.542 -10.693 1.00 0.00 C ATOM 887 C GLN A 58 5.987 7.411 -9.554 1.00 0.00 C ATOM 888 O GLN A 58 5.364 6.913 -8.616 1.00 0.00 O ATOM 889 CB GLN A 58 5.899 6.999 -12.019 1.00 0.00 C ATOM 890 CG GLN A 58 6.575 6.395 -13.240 1.00 0.00 C ATOM 891 CD GLN A 58 8.049 6.737 -13.320 1.00 0.00 C ATOM 892 OE1 GLN A 58 8.463 7.841 -12.963 1.00 0.00 O ATOM 893 NE2 GLN A 58 8.853 5.790 -13.790 1.00 0.00 N ATOM 0 H GLN A 58 5.321 4.821 -10.851 1.00 0.00 H new ATOM 0 HA GLN A 58 7.592 6.652 -10.742 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.841 6.736 -12.032 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.958 8.086 -12.081 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.458 5.312 -13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.074 6.750 -14.141 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.468 4.889 -14.075 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.855 5.963 -13.866 1.00 0.00 H new ATOM 902 N ARG A 59 6.246 8.712 -9.642 1.00 0.00 N ATOM 903 CA ARG A 59 5.803 9.650 -8.617 1.00 0.00 C ATOM 904 C ARG A 59 4.341 10.035 -8.827 1.00 0.00 C ATOM 905 O ARG A 59 3.502 9.823 -7.952 1.00 0.00 O ATOM 906 CB ARG A 59 6.679 10.904 -8.631 1.00 0.00 C ATOM 907 CG ARG A 59 8.016 10.721 -7.932 1.00 0.00 C ATOM 908 CD ARG A 59 7.902 10.972 -6.437 1.00 0.00 C ATOM 909 NE ARG A 59 7.456 12.331 -6.142 1.00 0.00 N ATOM 910 CZ ARG A 59 7.616 12.917 -4.961 1.00 0.00 C ATOM 911 NH1 ARG A 59 8.208 12.267 -3.969 1.00 0.00 N ATOM 912 NH2 ARG A 59 7.184 14.157 -4.770 1.00 0.00 N ATOM 0 H ARG A 59 6.760 9.140 -10.412 1.00 0.00 H new ATOM 0 HA ARG A 59 5.896 9.161 -7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.857 11.201 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.138 11.720 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.383 9.709 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.749 11.404 -8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.202 10.258 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.869 10.798 -5.965 1.00 0.00 H new ATOM 0 HE ARG A 59 6.996 12.859 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.542 11.314 -4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.329 12.720 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.728 14.661 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.307 14.606 -3.862 1.00 0.00 H new ATOM 926 N SER A 60 4.046 10.601 -9.992 1.00 0.00 N ATOM 927 CA SER A 60 2.687 11.020 -10.316 1.00 0.00 C ATOM 928 C SER A 60 1.671 9.987 -9.835 1.00 0.00 C ATOM 929 O SER A 60 0.544 10.329 -9.476 1.00 0.00 O ATOM 930 CB SER A 60 2.541 11.231 -11.824 1.00 0.00 C ATOM 931 OG SER A 60 1.227 11.647 -12.156 1.00 0.00 O ATOM 0 H SER A 60 4.729 10.780 -10.728 1.00 0.00 H new ATOM 0 HA SER A 60 2.492 11.962 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.259 11.979 -12.161 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.776 10.305 -12.348 1.00 0.00 H new ATOM 0 HG SER A 60 1.160 11.777 -13.125 1.00 0.00 H new ATOM 937 N HIS A 61 2.080 8.722 -9.831 1.00 0.00 N ATOM 938 CA HIS A 61 1.207 7.639 -9.395 1.00 0.00 C ATOM 939 C HIS A 61 0.760 7.849 -7.951 1.00 0.00 C ATOM 940 O HIS A 61 -0.418 7.694 -7.626 1.00 0.00 O ATOM 941 CB HIS A 61 1.922 6.294 -9.528 1.00 0.00 C ATOM 942 CG HIS A 61 2.272 5.940 -10.941 1.00 0.00 C ATOM 943 ND1 HIS A 61 2.643 4.669 -11.328 1.00 0.00 N ATOM 944 CD2 HIS A 61 2.305 6.698 -12.061 1.00 0.00 C ATOM 945 CE1 HIS A 61 2.891 4.662 -12.626 1.00 0.00 C ATOM 946 NE2 HIS A 61 2.693 5.881 -13.095 1.00 0.00 N ATOM 0 H HIS A 61 3.010 8.422 -10.125 1.00 0.00 H new ATOM 0 HA HIS A 61 0.324 7.638 -10.034 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.834 6.316 -8.931 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.287 5.511 -9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.070 7.750 -12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.203 3.805 -13.205 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.809 6.169 -14.067 1.00 0.00 H new ATOM 954 N LEU A 62 1.707 8.202 -7.089 1.00 0.00 N ATOM 955 CA LEU A 62 1.411 8.434 -5.680 1.00 0.00 C ATOM 956 C LEU A 62 0.999 9.882 -5.440 1.00 0.00 C ATOM 957 O LEU A 62 0.080 10.157 -4.668 1.00 0.00 O ATOM 958 CB LEU A 62 2.629 8.089 -4.820 1.00 0.00 C ATOM 959 CG LEU A 62 2.394 8.051 -3.309 1.00 0.00 C ATOM 960 CD1 LEU A 62 1.919 6.673 -2.877 1.00 0.00 C ATOM 961 CD2 LEU A 62 3.663 8.439 -2.563 1.00 0.00 C ATOM 0 H LEU A 62 2.686 8.334 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 62 0.579 7.789 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.006 7.116 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.413 8.817 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 62 1.616 8.774 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.757 6.665 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.985 6.434 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.674 5.930 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.478 8.407 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.461 7.741 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.960 9.448 -2.850 1.00 0.00 H new ATOM 973 N ILE A 63 1.684 10.805 -6.109 1.00 0.00 N ATOM 974 CA ILE A 63 1.386 12.225 -5.971 1.00 0.00 C ATOM 975 C ILE A 63 -0.118 12.470 -5.928 1.00 0.00 C ATOM 976 O ILE A 63 -0.660 12.894 -4.909 1.00 0.00 O ATOM 977 CB ILE A 63 1.995 13.042 -7.125 1.00 0.00 C ATOM 978 CG1 ILE A 63 3.523 12.993 -7.063 1.00 0.00 C ATOM 979 CG2 ILE A 63 1.504 14.481 -7.072 1.00 0.00 C ATOM 980 CD1 ILE A 63 4.199 13.878 -8.087 1.00 0.00 C ATOM 0 H ILE A 63 2.448 10.594 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 63 1.831 12.551 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 63 1.674 12.603 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.848 13.291 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.852 11.964 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.943 15.046 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.418 14.498 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.799 14.931 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.281 13.793 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.904 13.566 -9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.900 14.914 -7.927 1.00 0.00 H new ATOM 992 N GLY A 64 -0.789 12.198 -7.044 1.00 0.00 N ATOM 993 CA GLY A 64 -2.225 12.393 -7.113 1.00 0.00 C ATOM 994 C GLY A 64 -2.973 11.559 -6.092 1.00 0.00 C ATOM 995 O GLY A 64 -3.925 12.032 -5.470 1.00 0.00 O ATOM 0 H GLY A 64 -0.363 11.846 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.453 13.447 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.576 12.138 -8.113 1.00 0.00 H new ATOM 999 N HIS A 65 -2.543 10.313 -5.918 1.00 0.00 N ATOM 1000 CA HIS A 65 -3.180 9.410 -4.966 1.00 0.00 C ATOM 1001 C HIS A 65 -3.444 10.118 -3.640 1.00 0.00 C ATOM 1002 O HIS A 65 -4.545 10.044 -3.093 1.00 0.00 O ATOM 1003 CB HIS A 65 -2.305 8.178 -4.735 1.00 0.00 C ATOM 1004 CG HIS A 65 -2.872 7.219 -3.734 1.00 0.00 C ATOM 1005 ND1 HIS A 65 -3.970 6.425 -3.991 1.00 0.00 N ATOM 1006 CD2 HIS A 65 -2.486 6.928 -2.470 1.00 0.00 C ATOM 1007 CE1 HIS A 65 -4.236 5.688 -2.928 1.00 0.00 C ATOM 1008 NE2 HIS A 65 -3.350 5.974 -1.991 1.00 0.00 N ATOM 0 H HIS A 65 -1.756 9.906 -6.424 1.00 0.00 H new ATOM 0 HA HIS A 65 -4.135 9.094 -5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.165 7.659 -5.683 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.319 8.500 -4.399 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.495 6.409 -4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.654 7.364 -1.937 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.041 4.973 -2.840 1.00 0.00 H new ATOM 1016 N HIS A 66 -2.426 10.802 -3.127 1.00 0.00 N ATOM 1017 CA HIS A 66 -2.548 11.522 -1.865 1.00 0.00 C ATOM 1018 C HIS A 66 -3.916 12.186 -1.748 1.00 0.00 C ATOM 1019 O HIS A 66 -4.504 12.233 -0.667 1.00 0.00 O ATOM 1020 CB HIS A 66 -1.445 12.575 -1.745 1.00 0.00 C ATOM 1021 CG HIS A 66 -0.070 11.992 -1.638 1.00 0.00 C ATOM 1022 ND1 HIS A 66 0.793 11.897 -2.709 1.00 0.00 N ATOM 1023 CD2 HIS A 66 0.592 11.475 -0.577 1.00 0.00 C ATOM 1024 CE1 HIS A 66 1.925 11.344 -2.312 1.00 0.00 C ATOM 1025 NE2 HIS A 66 1.829 11.079 -1.022 1.00 0.00 N ATOM 0 H HIS A 66 -1.508 10.873 -3.566 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.443 10.802 -1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.485 13.232 -2.614 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.638 13.193 -0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.217 11.390 0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 66 2.783 11.143 -2.936 1.00 0.00 H new ATOM 0 HE2 HIS A 66 2.556 10.650 -0.449 1.00 0.00 H new ATOM 1033 N ARG A 67 -4.417 12.699 -2.867 1.00 0.00 N ATOM 1034 CA ARG A 67 -5.715 13.362 -2.890 1.00 0.00 C ATOM 1035 C ARG A 67 -6.825 12.400 -2.476 1.00 0.00 C ATOM 1036 O ARG A 67 -7.619 12.698 -1.583 1.00 0.00 O ATOM 1037 CB ARG A 67 -6.003 13.920 -4.285 1.00 0.00 C ATOM 1038 CG ARG A 67 -4.921 14.852 -4.804 1.00 0.00 C ATOM 1039 CD ARG A 67 -5.126 16.275 -4.309 1.00 0.00 C ATOM 1040 NE ARG A 67 -4.672 16.447 -2.932 1.00 0.00 N ATOM 1041 CZ ARG A 67 -5.088 17.427 -2.137 1.00 0.00 C ATOM 1042 NH1 ARG A 67 -5.963 18.318 -2.581 1.00 0.00 N ATOM 1043 NH2 ARG A 67 -4.628 17.516 -0.896 1.00 0.00 N ATOM 0 H ARG A 67 -3.943 12.668 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.686 14.185 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.120 13.090 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.952 14.455 -4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.944 14.491 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.922 14.841 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.586 16.965 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.183 16.534 -4.377 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.998 15.778 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.318 18.252 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.281 19.069 -1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.954 16.832 -0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.948 18.269 -0.286 1.00 0.00 H new ATOM 1057 N VAL A 68 -6.874 11.244 -3.131 1.00 0.00 N ATOM 1058 CA VAL A 68 -7.885 10.238 -2.831 1.00 0.00 C ATOM 1059 C VAL A 68 -8.031 10.036 -1.327 1.00 0.00 C ATOM 1060 O VAL A 68 -9.088 9.628 -0.844 1.00 0.00 O ATOM 1061 CB VAL A 68 -7.544 8.887 -3.489 1.00 0.00 C ATOM 1062 CG1 VAL A 68 -6.485 8.152 -2.681 1.00 0.00 C ATOM 1063 CG2 VAL A 68 -8.797 8.037 -3.638 1.00 0.00 C ATOM 0 H VAL A 68 -6.225 10.981 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.827 10.605 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.141 9.078 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.257 7.200 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.581 8.758 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.858 7.970 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.538 7.086 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.231 7.853 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.521 8.562 -4.261 1.00 0.00 H new ATOM 1073 N HIS A 69 -6.963 10.326 -0.590 1.00 0.00 N ATOM 1074 CA HIS A 69 -6.973 10.178 0.861 1.00 0.00 C ATOM 1075 C HIS A 69 -7.288 11.507 1.540 1.00 0.00 C ATOM 1076 O HIS A 69 -7.036 12.576 0.985 1.00 0.00 O ATOM 1077 CB HIS A 69 -5.623 9.650 1.349 1.00 0.00 C ATOM 1078 CG HIS A 69 -5.486 8.163 1.236 1.00 0.00 C ATOM 1079 ND1 HIS A 69 -6.484 7.284 1.600 1.00 0.00 N ATOM 1080 CD2 HIS A 69 -4.459 7.400 0.793 1.00 0.00 C ATOM 1081 CE1 HIS A 69 -6.077 6.046 1.389 1.00 0.00 C ATOM 1082 NE2 HIS A 69 -4.851 6.088 0.899 1.00 0.00 N ATOM 0 H HIS A 69 -6.081 10.665 -0.974 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.752 9.462 1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.827 10.125 0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.483 9.942 2.390 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -7.395 7.549 1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.508 7.757 0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.649 5.151 1.584 1.00 0.00 H new ATOM 1090 N THR A 70 -7.843 11.432 2.746 1.00 0.00 N ATOM 1091 CA THR A 70 -8.195 12.628 3.501 1.00 0.00 C ATOM 1092 C THR A 70 -6.952 13.428 3.875 1.00 0.00 C ATOM 1093 O THR A 70 -5.983 12.879 4.398 1.00 0.00 O ATOM 1094 CB THR A 70 -8.970 12.274 4.784 1.00 0.00 C ATOM 1095 OG1 THR A 70 -10.150 11.533 4.456 1.00 0.00 O ATOM 1096 CG2 THR A 70 -9.353 13.532 5.549 1.00 0.00 C ATOM 0 H THR A 70 -8.058 10.555 3.221 1.00 0.00 H new ATOM 0 HA THR A 70 -8.832 13.233 2.856 1.00 0.00 H new ATOM 0 HB THR A 70 -8.323 11.665 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.636 11.311 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.899 13.257 6.451 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.451 14.080 5.824 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.983 14.162 4.921 1.00 0.00 H new ATOM 1104 N GLY A 71 -6.988 14.729 3.605 1.00 0.00 N ATOM 1105 CA GLY A 71 -5.858 15.584 3.921 1.00 0.00 C ATOM 1106 C GLY A 71 -5.405 15.436 5.360 1.00 0.00 C ATOM 1107 O GLY A 71 -5.904 14.581 6.091 1.00 0.00 O ATOM 0 H GLY A 71 -7.779 15.207 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.028 15.345 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.129 16.623 3.733 1.00 0.00 H new ATOM 1111 N SER A 72 -4.454 16.271 5.768 1.00 0.00 N ATOM 1112 CA SER A 72 -3.929 16.226 7.127 1.00 0.00 C ATOM 1113 C SER A 72 -4.963 16.734 8.127 1.00 0.00 C ATOM 1114 O SER A 72 -6.044 17.183 7.745 1.00 0.00 O ATOM 1115 CB SER A 72 -2.651 17.061 7.231 1.00 0.00 C ATOM 1116 OG SER A 72 -1.510 16.289 6.897 1.00 0.00 O ATOM 0 H SER A 72 -4.032 16.987 5.176 1.00 0.00 H new ATOM 0 HA SER A 72 -3.698 15.188 7.365 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.720 17.921 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.548 17.449 8.244 1.00 0.00 H new ATOM 0 HG SER A 72 -0.706 16.845 6.969 1.00 0.00 H new ATOM 1122 N GLY A 73 -4.624 16.660 9.410 1.00 0.00 N ATOM 1123 CA GLY A 73 -5.533 17.116 10.445 1.00 0.00 C ATOM 1124 C GLY A 73 -6.095 15.973 11.268 1.00 0.00 C ATOM 1125 O GLY A 73 -5.373 15.293 11.998 1.00 0.00 O ATOM 0 H GLY A 73 -3.736 16.292 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.011 17.811 11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.354 17.667 9.986 1.00 0.00 H new ATOM 1129 N PRO A 74 -7.412 15.749 11.155 1.00 0.00 N ATOM 1130 CA PRO A 74 -8.099 14.681 11.888 1.00 0.00 C ATOM 1131 C PRO A 74 -7.721 13.294 11.381 1.00 0.00 C ATOM 1132 O PRO A 74 -7.662 13.058 10.175 1.00 0.00 O ATOM 1133 CB PRO A 74 -9.580 14.963 11.620 1.00 0.00 C ATOM 1134 CG PRO A 74 -9.596 15.705 10.329 1.00 0.00 C ATOM 1135 CD PRO A 74 -8.333 16.520 10.303 1.00 0.00 C ATOM 0 HA PRO A 74 -7.836 14.678 12.946 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.153 14.038 11.552 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.022 15.554 12.422 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.634 15.017 9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.475 16.346 10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.946 16.630 9.290 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.495 17.525 10.693 1.00 0.00 H new ATOM 1143 N SER A 75 -7.466 12.378 12.311 1.00 0.00 N ATOM 1144 CA SER A 75 -7.090 11.015 11.958 1.00 0.00 C ATOM 1145 C SER A 75 -8.183 10.029 12.359 1.00 0.00 C ATOM 1146 O SER A 75 -8.460 9.839 13.543 1.00 0.00 O ATOM 1147 CB SER A 75 -5.771 10.635 12.635 1.00 0.00 C ATOM 1148 OG SER A 75 -5.240 9.442 12.084 1.00 0.00 O ATOM 0 H SER A 75 -7.513 12.556 13.314 1.00 0.00 H new ATOM 0 HA SER A 75 -6.961 10.969 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.052 11.445 12.517 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.932 10.505 13.705 1.00 0.00 H new ATOM 0 HG SER A 75 -4.397 9.222 12.532 1.00 0.00 H new ATOM 1154 N SER A 76 -8.801 9.402 11.362 1.00 0.00 N ATOM 1155 CA SER A 76 -9.866 8.438 11.609 1.00 0.00 C ATOM 1156 C SER A 76 -9.290 7.074 11.975 1.00 0.00 C ATOM 1157 O SER A 76 -8.641 6.422 11.158 1.00 0.00 O ATOM 1158 CB SER A 76 -10.764 8.312 10.377 1.00 0.00 C ATOM 1159 OG SER A 76 -11.788 9.291 10.389 1.00 0.00 O ATOM 0 H SER A 76 -8.582 9.545 10.376 1.00 0.00 H new ATOM 0 HA SER A 76 -10.461 8.798 12.448 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.164 8.420 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.208 7.317 10.347 1.00 0.00 H new ATOM 0 HG SER A 76 -12.347 9.190 9.590 1.00 0.00 H new ATOM 1165 N GLY A 77 -9.534 6.647 13.210 1.00 0.00 N ATOM 1166 CA GLY A 77 -9.033 5.363 13.664 1.00 0.00 C ATOM 1167 C GLY A 77 -7.519 5.298 13.661 1.00 0.00 C ATOM 1168 O GLY A 77 -6.963 4.303 13.197 1.00 0.00 O ATOM 0 H GLY A 77 -10.070 7.168 13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.400 5.169 14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.429 4.575 13.023 1.00 0.00 H new TER 1172 GLY A 77 HETATM 1173 ZN ZN A 201 11.948 4.367 3.867 1.00 0.00 ZN HETATM 1174 ZN ZN A 401 -3.340 5.131 -0.127 1.00 0.00 ZN