USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=23 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc= -2.67! C(o=-3.5!,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0853 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= -0.377 K(o=-0.38,f=-1.4) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.14) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.431 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc=-0.00348 K(o=-0.0035,f=-1.8) USER MOD Single : A 31 SER OG : rot 180:sc= -0.106 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -54:sc= 1.19 USER MOD Single : A 42 THR OG1 : rot -67:sc= 0.581 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0162 USER MOD Single : A 48 LYS NZ :NH3+ -110:sc= -0.191 (180deg=-0.578) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.76) USER MOD Single : A 66 HIS : no HE2:sc= 0.249 K(o=0.25,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 39:sc= 0.431 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 3.156 37.968 -18.807 1.00 0.00 N ATOM 2 CA GLY A 1 4.256 37.298 -18.138 1.00 0.00 C ATOM 3 C GLY A 1 3.810 36.060 -17.386 1.00 0.00 C ATOM 4 O GLY A 1 2.933 35.329 -17.845 1.00 0.00 O ATOM 0 H1 GLY A 1 3.430 38.194 -19.784 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.324 37.344 -18.816 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.925 38.846 -18.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.010 37.020 -18.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.730 37.991 -17.443 1.00 0.00 H new ATOM 8 N SER A 2 4.416 35.824 -16.227 1.00 0.00 N ATOM 9 CA SER A 2 4.080 34.662 -15.412 1.00 0.00 C ATOM 10 C SER A 2 3.616 35.089 -14.023 1.00 0.00 C ATOM 11 O SER A 2 4.029 36.129 -13.510 1.00 0.00 O ATOM 12 CB SER A 2 5.287 33.729 -15.294 1.00 0.00 C ATOM 13 OG SER A 2 4.948 32.542 -14.599 1.00 0.00 O ATOM 0 H SER A 2 5.142 36.421 -15.831 1.00 0.00 H new ATOM 0 HA SER A 2 3.264 34.129 -15.901 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.656 33.479 -16.289 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.096 34.241 -14.773 1.00 0.00 H new ATOM 0 HG SER A 2 5.736 31.962 -14.539 1.00 0.00 H new ATOM 19 N SER A 3 2.753 34.278 -13.419 1.00 0.00 N ATOM 20 CA SER A 3 2.228 34.573 -12.091 1.00 0.00 C ATOM 21 C SER A 3 1.882 33.287 -11.346 1.00 0.00 C ATOM 22 O SER A 3 2.003 32.190 -11.889 1.00 0.00 O ATOM 23 CB SER A 3 0.989 35.465 -12.195 1.00 0.00 C ATOM 24 OG SER A 3 1.256 36.619 -12.973 1.00 0.00 O ATOM 0 H SER A 3 2.403 33.412 -13.828 1.00 0.00 H new ATOM 0 HA SER A 3 3.000 35.101 -11.531 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.169 34.903 -12.642 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.666 35.762 -11.197 1.00 0.00 H new ATOM 0 HG SER A 3 0.449 37.172 -13.026 1.00 0.00 H new ATOM 30 N GLY A 4 1.449 33.432 -10.097 1.00 0.00 N ATOM 31 CA GLY A 4 1.092 32.275 -9.297 1.00 0.00 C ATOM 32 C GLY A 4 -0.385 31.946 -9.381 1.00 0.00 C ATOM 33 O GLY A 4 -0.990 32.046 -10.449 1.00 0.00 O ATOM 0 H GLY A 4 1.339 34.330 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.672 31.414 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.362 32.459 -8.257 1.00 0.00 H new ATOM 37 N SER A 5 -0.967 31.549 -8.254 1.00 0.00 N ATOM 38 CA SER A 5 -2.382 31.198 -8.206 1.00 0.00 C ATOM 39 C SER A 5 -2.923 31.317 -6.785 1.00 0.00 C ATOM 40 O SER A 5 -2.166 31.513 -5.835 1.00 0.00 O ATOM 41 CB SER A 5 -2.593 29.775 -8.728 1.00 0.00 C ATOM 42 OG SER A 5 -1.903 28.831 -7.927 1.00 0.00 O ATOM 0 H SER A 5 -0.481 31.462 -7.362 1.00 0.00 H new ATOM 0 HA SER A 5 -2.927 31.895 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.658 29.541 -8.736 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.244 29.707 -9.758 1.00 0.00 H new ATOM 0 HG SER A 5 -2.055 27.929 -8.280 1.00 0.00 H new ATOM 48 N SER A 6 -4.240 31.198 -6.649 1.00 0.00 N ATOM 49 CA SER A 6 -4.885 31.296 -5.345 1.00 0.00 C ATOM 50 C SER A 6 -4.395 30.193 -4.412 1.00 0.00 C ATOM 51 O SER A 6 -3.903 29.159 -4.860 1.00 0.00 O ATOM 52 CB SER A 6 -6.405 31.212 -5.497 1.00 0.00 C ATOM 53 OG SER A 6 -7.055 31.441 -4.258 1.00 0.00 O ATOM 0 H SER A 6 -4.881 31.034 -7.425 1.00 0.00 H new ATOM 0 HA SER A 6 -4.623 32.260 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.742 31.946 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.682 30.230 -5.880 1.00 0.00 H new ATOM 0 HG SER A 6 -8.025 31.384 -4.382 1.00 0.00 H new ATOM 59 N GLY A 7 -4.533 30.423 -3.109 1.00 0.00 N ATOM 60 CA GLY A 7 -4.099 29.442 -2.132 1.00 0.00 C ATOM 61 C GLY A 7 -4.793 29.609 -0.795 1.00 0.00 C ATOM 62 O GLY A 7 -4.971 30.729 -0.316 1.00 0.00 O ATOM 0 H GLY A 7 -4.938 31.272 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.293 28.441 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.021 29.526 -1.991 1.00 0.00 H new ATOM 66 N ARG A 8 -5.189 28.493 -0.192 1.00 0.00 N ATOM 67 CA ARG A 8 -5.870 28.521 1.096 1.00 0.00 C ATOM 68 C ARG A 8 -4.885 28.287 2.238 1.00 0.00 C ATOM 69 O ARG A 8 -3.784 27.780 2.026 1.00 0.00 O ATOM 70 CB ARG A 8 -6.974 27.462 1.137 1.00 0.00 C ATOM 71 CG ARG A 8 -8.222 27.854 0.363 1.00 0.00 C ATOM 72 CD ARG A 8 -8.992 28.959 1.070 1.00 0.00 C ATOM 73 NE ARG A 8 -9.445 28.548 2.397 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.446 29.132 3.045 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.096 30.147 2.492 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.800 28.701 4.249 1.00 0.00 N ATOM 0 H ARG A 8 -5.050 27.558 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.317 29.508 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.585 26.527 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.245 27.272 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.942 28.186 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.865 26.982 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.359 29.842 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.853 29.245 0.466 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.966 27.770 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.827 30.481 1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.865 30.594 2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.303 27.920 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.569 29.150 4.746 1.00 0.00 H new ATOM 90 N SER A 9 -5.289 28.662 3.448 1.00 0.00 N ATOM 91 CA SER A 9 -4.440 28.497 4.622 1.00 0.00 C ATOM 92 C SER A 9 -4.450 27.049 5.100 1.00 0.00 C ATOM 93 O SER A 9 -5.422 26.588 5.697 1.00 0.00 O ATOM 94 CB SER A 9 -4.907 29.422 5.748 1.00 0.00 C ATOM 95 OG SER A 9 -4.410 30.736 5.569 1.00 0.00 O ATOM 0 H SER A 9 -6.198 29.082 3.641 1.00 0.00 H new ATOM 0 HA SER A 9 -3.420 28.762 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.996 29.443 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.570 29.030 6.708 1.00 0.00 H new ATOM 0 HG SER A 9 -4.724 31.307 6.301 1.00 0.00 H new ATOM 101 N GLU A 10 -3.359 26.337 4.834 1.00 0.00 N ATOM 102 CA GLU A 10 -3.242 24.940 5.236 1.00 0.00 C ATOM 103 C GLU A 10 -2.399 24.808 6.501 1.00 0.00 C ATOM 104 O GLU A 10 -1.201 24.532 6.435 1.00 0.00 O ATOM 105 CB GLU A 10 -2.623 24.112 4.109 1.00 0.00 C ATOM 106 CG GLU A 10 -3.476 24.061 2.852 1.00 0.00 C ATOM 107 CD GLU A 10 -2.903 23.137 1.795 1.00 0.00 C ATOM 108 OE1 GLU A 10 -2.134 22.224 2.159 1.00 0.00 O ATOM 109 OE2 GLU A 10 -3.226 23.328 0.604 1.00 0.00 O ATOM 0 H GLU A 10 -2.544 26.704 4.342 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.243 24.563 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.647 24.527 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.456 23.096 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.481 23.729 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.569 25.066 2.439 1.00 0.00 H new ATOM 116 N TRP A 11 -3.033 25.006 7.651 1.00 0.00 N ATOM 117 CA TRP A 11 -2.341 24.909 8.932 1.00 0.00 C ATOM 118 C TRP A 11 -1.491 23.645 8.997 1.00 0.00 C ATOM 119 O TRP A 11 -0.272 23.715 9.151 1.00 0.00 O ATOM 120 CB TRP A 11 -3.350 24.920 10.081 1.00 0.00 C ATOM 121 CG TRP A 11 -2.720 25.146 11.422 1.00 0.00 C ATOM 122 CD1 TRP A 11 -2.485 26.348 12.025 1.00 0.00 C ATOM 123 CD2 TRP A 11 -2.244 24.142 12.325 1.00 0.00 C ATOM 124 NE1 TRP A 11 -1.890 26.153 13.249 1.00 0.00 N ATOM 125 CE2 TRP A 11 -1.733 24.808 13.456 1.00 0.00 C ATOM 126 CE3 TRP A 11 -2.201 22.746 12.290 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -1.185 24.124 14.539 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.657 22.068 13.364 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.156 22.757 14.477 1.00 0.00 C ATOM 0 H TRP A 11 -4.024 25.235 7.723 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.682 25.772 9.028 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.089 25.700 9.899 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.885 23.971 10.094 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.731 27.311 11.602 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.611 26.890 13.897 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.586 22.206 11.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.797 24.653 15.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.617 20.989 13.346 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.739 22.198 15.302 1.00 0.00 H new ATOM 140 N GLN A 12 -2.142 22.493 8.879 1.00 0.00 N ATOM 141 CA GLN A 12 -1.443 21.213 8.925 1.00 0.00 C ATOM 142 C GLN A 12 -0.351 21.151 7.863 1.00 0.00 C ATOM 143 O GLN A 12 -0.537 21.620 6.740 1.00 0.00 O ATOM 144 CB GLN A 12 -2.431 20.062 8.726 1.00 0.00 C ATOM 145 CG GLN A 12 -3.331 20.235 7.514 1.00 0.00 C ATOM 146 CD GLN A 12 -2.743 19.625 6.258 1.00 0.00 C ATOM 147 OE1 GLN A 12 -2.131 18.557 6.300 1.00 0.00 O ATOM 148 NE2 GLN A 12 -2.926 20.300 5.129 1.00 0.00 N ATOM 0 H GLN A 12 -3.151 22.419 8.751 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.976 21.117 9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.875 19.130 8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.051 19.968 9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.299 19.777 7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.510 21.297 7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.439 21.181 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.553 19.937 4.252 1.00 0.00 H new ATOM 157 N GLN A 13 0.788 20.570 8.226 1.00 0.00 N ATOM 158 CA GLN A 13 1.911 20.448 7.304 1.00 0.00 C ATOM 159 C GLN A 13 2.400 19.005 7.230 1.00 0.00 C ATOM 160 O GLN A 13 2.564 18.450 6.144 1.00 0.00 O ATOM 161 CB GLN A 13 3.055 21.366 7.736 1.00 0.00 C ATOM 162 CG GLN A 13 4.236 21.359 6.778 1.00 0.00 C ATOM 163 CD GLN A 13 5.380 22.230 7.256 1.00 0.00 C ATOM 164 OE1 GLN A 13 5.172 23.356 7.709 1.00 0.00 O ATOM 165 NE2 GLN A 13 6.599 21.712 7.158 1.00 0.00 N ATOM 0 H GLN A 13 0.957 20.177 9.152 1.00 0.00 H new ATOM 0 HA GLN A 13 1.570 20.748 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.678 22.385 7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.399 21.064 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.591 20.336 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.906 21.704 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.726 20.775 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.409 22.252 7.464 1.00 0.00 H new ATOM 174 N ARG A 14 2.632 18.404 8.392 1.00 0.00 N ATOM 175 CA ARG A 14 3.105 17.026 8.459 1.00 0.00 C ATOM 176 C ARG A 14 2.716 16.382 9.787 1.00 0.00 C ATOM 177 O ARG A 14 3.233 16.750 10.841 1.00 0.00 O ATOM 178 CB ARG A 14 4.623 16.976 8.281 1.00 0.00 C ATOM 179 CG ARG A 14 5.385 17.787 9.317 1.00 0.00 C ATOM 180 CD ARG A 14 6.704 18.301 8.762 1.00 0.00 C ATOM 181 NE ARG A 14 7.803 17.374 9.017 1.00 0.00 N ATOM 182 CZ ARG A 14 8.096 16.346 8.228 1.00 0.00 C ATOM 183 NH1 ARG A 14 7.375 16.115 7.140 1.00 0.00 N ATOM 184 NH2 ARG A 14 9.112 15.547 8.527 1.00 0.00 N ATOM 0 H ARG A 14 2.500 18.849 9.300 1.00 0.00 H new ATOM 0 HA ARG A 14 2.633 16.467 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.952 15.938 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.876 17.343 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.774 18.628 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.574 17.171 10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.607 18.462 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.934 19.268 9.210 1.00 0.00 H new ATOM 0 HE ARG A 14 8.377 17.524 9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.593 16.727 6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.602 15.325 6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.669 15.722 9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.336 14.758 7.921 1.00 0.00 H new ATOM 198 N GLU A 15 1.801 15.419 9.726 1.00 0.00 N ATOM 199 CA GLU A 15 1.343 14.726 10.924 1.00 0.00 C ATOM 200 C GLU A 15 2.496 14.503 11.899 1.00 0.00 C ATOM 201 O GLU A 15 3.609 14.166 11.493 1.00 0.00 O ATOM 202 CB GLU A 15 0.708 13.384 10.552 1.00 0.00 C ATOM 203 CG GLU A 15 -0.541 13.517 9.699 1.00 0.00 C ATOM 204 CD GLU A 15 -1.176 12.177 9.380 1.00 0.00 C ATOM 205 OE1 GLU A 15 -1.216 11.311 10.278 1.00 0.00 O ATOM 206 OE2 GLU A 15 -1.634 11.996 8.232 1.00 0.00 O ATOM 0 H GLU A 15 1.363 15.102 8.861 1.00 0.00 H new ATOM 0 HA GLU A 15 0.595 15.352 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.441 12.781 10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.458 12.844 11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.266 14.144 10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.288 14.026 8.769 1.00 0.00 H new ATOM 213 N ARG A 16 2.221 14.693 13.185 1.00 0.00 N ATOM 214 CA ARG A 16 3.235 14.515 14.217 1.00 0.00 C ATOM 215 C ARG A 16 3.609 13.043 14.364 1.00 0.00 C ATOM 216 O ARG A 16 2.738 12.176 14.437 1.00 0.00 O ATOM 217 CB ARG A 16 2.732 15.061 15.555 1.00 0.00 C ATOM 218 CG ARG A 16 1.412 14.454 16.003 1.00 0.00 C ATOM 219 CD ARG A 16 1.628 13.308 16.978 1.00 0.00 C ATOM 220 NE ARG A 16 2.188 13.766 18.246 1.00 0.00 N ATOM 221 CZ ARG A 16 2.040 13.113 19.394 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.353 11.980 19.432 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.580 13.594 20.507 1.00 0.00 N ATOM 0 H ARG A 16 1.305 14.970 13.537 1.00 0.00 H new ATOM 0 HA ARG A 16 4.124 15.069 13.917 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.486 14.875 16.320 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.617 16.142 15.477 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.798 15.222 16.473 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.862 14.094 15.133 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.679 12.805 17.162 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.297 12.573 16.531 1.00 0.00 H new ATOM 0 HE ARG A 16 2.722 14.635 18.251 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.936 11.607 18.579 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.241 11.481 20.314 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.109 14.466 20.482 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.466 13.092 21.388 1.00 0.00 H new ATOM 237 N ARG A 17 4.909 12.769 14.406 1.00 0.00 N ATOM 238 CA ARG A 17 5.398 11.403 14.542 1.00 0.00 C ATOM 239 C ARG A 17 6.757 11.378 15.234 1.00 0.00 C ATOM 240 O ARG A 17 7.363 12.423 15.471 1.00 0.00 O ATOM 241 CB ARG A 17 5.500 10.736 13.169 1.00 0.00 C ATOM 242 CG ARG A 17 4.240 9.992 12.757 1.00 0.00 C ATOM 243 CD ARG A 17 4.058 9.997 11.248 1.00 0.00 C ATOM 244 NE ARG A 17 2.980 9.108 10.823 1.00 0.00 N ATOM 245 CZ ARG A 17 1.691 9.392 10.974 1.00 0.00 C ATOM 246 NH1 ARG A 17 1.322 10.535 11.536 1.00 0.00 N ATOM 247 NH2 ARG A 17 0.768 8.532 10.563 1.00 0.00 N ATOM 0 H ARG A 17 5.642 13.476 14.348 1.00 0.00 H new ATOM 0 HA ARG A 17 4.687 10.849 15.155 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.723 11.497 12.421 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.338 10.039 13.175 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.290 8.964 13.115 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.373 10.453 13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.844 11.012 10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.989 9.692 10.770 1.00 0.00 H new ATOM 0 HE ARG A 17 3.230 8.221 10.386 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.029 11.199 11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.332 10.751 11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.048 7.652 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.221 8.751 10.680 1.00 0.00 H new ATOM 261 N ARG A 18 7.230 10.178 15.556 1.00 0.00 N ATOM 262 CA ARG A 18 8.517 10.018 16.222 1.00 0.00 C ATOM 263 C ARG A 18 9.528 9.348 15.297 1.00 0.00 C ATOM 264 O ARG A 18 10.524 9.956 14.904 1.00 0.00 O ATOM 265 CB ARG A 18 8.354 9.193 17.500 1.00 0.00 C ATOM 266 CG ARG A 18 7.937 10.016 18.708 1.00 0.00 C ATOM 267 CD ARG A 18 6.423 10.096 18.832 1.00 0.00 C ATOM 268 NE ARG A 18 5.874 11.235 18.102 1.00 0.00 N ATOM 269 CZ ARG A 18 5.889 12.481 18.564 1.00 0.00 C ATOM 270 NH1 ARG A 18 6.423 12.746 19.748 1.00 0.00 N ATOM 271 NH2 ARG A 18 5.369 13.464 17.840 1.00 0.00 N ATOM 0 H ARG A 18 6.741 9.303 15.366 1.00 0.00 H new ATOM 0 HA ARG A 18 8.889 11.009 16.482 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.611 8.415 17.327 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.296 8.691 17.721 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.354 9.574 19.613 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.350 11.021 18.625 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.979 9.175 18.454 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.149 10.173 19.884 1.00 0.00 H new ATOM 0 HE ARG A 18 5.456 11.065 17.187 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.824 11.993 20.307 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.433 13.703 20.100 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.958 13.263 16.928 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.381 14.420 18.195 1.00 0.00 H new ATOM 285 N TYR A 19 9.266 8.091 14.954 1.00 0.00 N ATOM 286 CA TYR A 19 10.155 7.337 14.077 1.00 0.00 C ATOM 287 C TYR A 19 10.171 7.935 12.673 1.00 0.00 C ATOM 288 O TYR A 19 9.212 8.580 12.249 1.00 0.00 O ATOM 289 CB TYR A 19 9.721 5.872 14.015 1.00 0.00 C ATOM 290 CG TYR A 19 10.082 5.081 15.252 1.00 0.00 C ATOM 291 CD1 TYR A 19 9.822 5.582 16.522 1.00 0.00 C ATOM 292 CD2 TYR A 19 10.681 3.831 15.151 1.00 0.00 C ATOM 293 CE1 TYR A 19 10.151 4.863 17.654 1.00 0.00 C ATOM 294 CE2 TYR A 19 11.012 3.104 16.278 1.00 0.00 C ATOM 295 CZ TYR A 19 10.745 3.625 17.528 1.00 0.00 C ATOM 296 OH TYR A 19 11.072 2.905 18.654 1.00 0.00 O ATOM 0 H TYR A 19 8.446 7.573 15.270 1.00 0.00 H new ATOM 0 HA TYR A 19 11.163 7.393 14.487 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.642 5.827 13.867 1.00 0.00 H new ATOM 0 HB3 TYR A 19 10.181 5.402 13.146 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.355 6.550 16.625 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.891 3.421 14.174 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.944 5.268 18.633 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.477 2.134 16.182 1.00 0.00 H new ATOM 0 HH TYR A 19 11.482 2.054 18.391 1.00 0.00 H new ATOM 306 N LYS A 20 11.268 7.714 11.956 1.00 0.00 N ATOM 307 CA LYS A 20 11.411 8.228 10.599 1.00 0.00 C ATOM 308 C LYS A 20 12.312 7.321 9.767 1.00 0.00 C ATOM 309 O LYS A 20 13.138 6.584 10.307 1.00 0.00 O ATOM 310 CB LYS A 20 11.984 9.647 10.626 1.00 0.00 C ATOM 311 CG LYS A 20 12.136 10.268 9.249 1.00 0.00 C ATOM 312 CD LYS A 20 12.640 11.698 9.335 1.00 0.00 C ATOM 313 CE LYS A 20 13.067 12.222 7.972 1.00 0.00 C ATOM 314 NZ LYS A 20 13.235 13.701 7.973 1.00 0.00 N ATOM 0 H LYS A 20 12.071 7.182 12.292 1.00 0.00 H new ATOM 0 HA LYS A 20 10.423 8.251 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.335 10.280 11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.958 9.627 11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.829 9.672 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.176 10.250 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.857 12.337 9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.482 11.747 10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.005 11.750 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.323 11.942 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.526 14.018 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.333 14.153 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.963 13.967 8.666 1.00 0.00 H new ATOM 328 N CYS A 21 12.149 7.380 8.449 1.00 0.00 N ATOM 329 CA CYS A 21 12.947 6.565 7.542 1.00 0.00 C ATOM 330 C CYS A 21 13.927 7.430 6.754 1.00 0.00 C ATOM 331 O CYS A 21 13.711 7.714 5.575 1.00 0.00 O ATOM 332 CB CYS A 21 12.039 5.797 6.579 1.00 0.00 C ATOM 333 SG CYS A 21 12.874 4.445 5.689 1.00 0.00 S ATOM 0 H CYS A 21 11.471 7.985 7.986 1.00 0.00 H new ATOM 0 HA CYS A 21 13.516 5.853 8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 21 11.199 5.385 7.139 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.625 6.495 5.852 1.00 0.00 H new ATOM 338 N ASP A 22 15.003 7.845 7.412 1.00 0.00 N ATOM 339 CA ASP A 22 16.017 8.676 6.774 1.00 0.00 C ATOM 340 C ASP A 22 16.257 8.231 5.334 1.00 0.00 C ATOM 341 O ASP A 22 16.590 9.042 4.472 1.00 0.00 O ATOM 342 CB ASP A 22 17.326 8.619 7.563 1.00 0.00 C ATOM 343 CG ASP A 22 17.121 8.884 9.042 1.00 0.00 C ATOM 344 OD1 ASP A 22 17.175 10.064 9.447 1.00 0.00 O ATOM 345 OD2 ASP A 22 16.907 7.911 9.795 1.00 0.00 O ATOM 0 H ASP A 22 15.196 7.619 8.388 1.00 0.00 H new ATOM 0 HA ASP A 22 15.654 9.704 6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.784 7.638 7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.023 9.353 7.158 1.00 0.00 H new ATOM 350 N GLU A 23 16.087 6.936 5.085 1.00 0.00 N ATOM 351 CA GLU A 23 16.287 6.384 3.750 1.00 0.00 C ATOM 352 C GLU A 23 15.452 7.137 2.718 1.00 0.00 C ATOM 353 O GLU A 23 15.978 7.641 1.726 1.00 0.00 O ATOM 354 CB GLU A 23 15.924 4.897 3.730 1.00 0.00 C ATOM 355 CG GLU A 23 17.093 3.981 4.050 1.00 0.00 C ATOM 356 CD GLU A 23 17.654 4.216 5.440 1.00 0.00 C ATOM 357 OE1 GLU A 23 17.073 3.687 6.410 1.00 0.00 O ATOM 358 OE2 GLU A 23 18.674 4.928 5.556 1.00 0.00 O ATOM 0 H GLU A 23 15.812 6.251 5.789 1.00 0.00 H new ATOM 0 HA GLU A 23 17.340 6.498 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.125 4.717 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.531 4.641 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.771 2.943 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.882 4.133 3.313 1.00 0.00 H new ATOM 365 N CYS A 24 14.148 7.208 2.960 1.00 0.00 N ATOM 366 CA CYS A 24 13.238 7.897 2.053 1.00 0.00 C ATOM 367 C CYS A 24 12.802 9.239 2.635 1.00 0.00 C ATOM 368 O CYS A 24 12.871 10.270 1.967 1.00 0.00 O ATOM 369 CB CYS A 24 12.011 7.029 1.770 1.00 0.00 C ATOM 370 SG CYS A 24 11.145 6.455 3.267 1.00 0.00 S ATOM 0 H CYS A 24 13.697 6.797 3.777 1.00 0.00 H new ATOM 0 HA CYS A 24 13.768 8.081 1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.313 7.596 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.320 6.162 1.187 1.00 0.00 H new ATOM 375 N GLY A 25 12.354 9.217 3.887 1.00 0.00 N ATOM 376 CA GLY A 25 11.914 10.436 4.539 1.00 0.00 C ATOM 377 C GLY A 25 10.503 10.327 5.082 1.00 0.00 C ATOM 378 O GLY A 25 9.814 11.334 5.250 1.00 0.00 O ATOM 0 H GLY A 25 12.288 8.376 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.596 10.675 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.964 11.262 3.830 1.00 0.00 H new ATOM 382 N LYS A 26 10.069 9.101 5.356 1.00 0.00 N ATOM 383 CA LYS A 26 8.731 8.862 5.882 1.00 0.00 C ATOM 384 C LYS A 26 8.754 8.771 7.405 1.00 0.00 C ATOM 385 O LYS A 26 9.819 8.687 8.015 1.00 0.00 O ATOM 386 CB LYS A 26 8.151 7.574 5.293 1.00 0.00 C ATOM 387 CG LYS A 26 6.633 7.556 5.248 1.00 0.00 C ATOM 388 CD LYS A 26 6.116 6.510 4.274 1.00 0.00 C ATOM 389 CE LYS A 26 4.687 6.804 3.847 1.00 0.00 C ATOM 390 NZ LYS A 26 3.944 5.561 3.500 1.00 0.00 N ATOM 0 H LYS A 26 10.626 8.257 5.222 1.00 0.00 H new ATOM 0 HA LYS A 26 8.099 9.702 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.538 7.440 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.499 6.726 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.241 7.352 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.265 8.540 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.760 6.480 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.163 5.525 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.168 7.325 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.696 7.474 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.974 5.805 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.425 5.077 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.913 4.932 4.328 1.00 0.00 H new ATOM 404 N SER A 27 7.571 8.788 8.012 1.00 0.00 N ATOM 405 CA SER A 27 7.456 8.710 9.463 1.00 0.00 C ATOM 406 C SER A 27 6.256 7.859 9.868 1.00 0.00 C ATOM 407 O SER A 27 5.215 7.881 9.211 1.00 0.00 O ATOM 408 CB SER A 27 7.326 10.112 10.062 1.00 0.00 C ATOM 409 OG SER A 27 6.380 10.887 9.345 1.00 0.00 O ATOM 0 H SER A 27 6.679 8.855 7.521 1.00 0.00 H new ATOM 0 HA SER A 27 8.360 8.240 9.849 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.023 10.038 11.107 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.296 10.609 10.045 1.00 0.00 H new ATOM 0 HG SER A 27 6.314 11.778 9.748 1.00 0.00 H new ATOM 415 N PHE A 28 6.410 7.109 10.954 1.00 0.00 N ATOM 416 CA PHE A 28 5.341 6.249 11.448 1.00 0.00 C ATOM 417 C PHE A 28 5.097 6.484 12.935 1.00 0.00 C ATOM 418 O PHE A 28 5.882 7.154 13.606 1.00 0.00 O ATOM 419 CB PHE A 28 5.686 4.779 11.202 1.00 0.00 C ATOM 420 CG PHE A 28 6.045 4.478 9.775 1.00 0.00 C ATOM 421 CD1 PHE A 28 7.292 4.814 9.274 1.00 0.00 C ATOM 422 CD2 PHE A 28 5.135 3.859 8.933 1.00 0.00 C ATOM 423 CE1 PHE A 28 7.626 4.538 7.962 1.00 0.00 C ATOM 424 CE2 PHE A 28 5.463 3.580 7.620 1.00 0.00 C ATOM 425 CZ PHE A 28 6.709 3.921 7.133 1.00 0.00 C ATOM 0 H PHE A 28 7.265 7.079 11.509 1.00 0.00 H new ATOM 0 HA PHE A 28 4.429 6.497 10.905 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.520 4.497 11.845 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.836 4.161 11.493 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.012 5.298 9.917 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.158 3.591 9.307 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.602 4.804 7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.745 3.095 6.975 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.966 3.706 6.106 1.00 0.00 H new ATOM 435 N SER A 29 4.002 5.927 13.444 1.00 0.00 N ATOM 436 CA SER A 29 3.651 6.079 14.851 1.00 0.00 C ATOM 437 C SER A 29 4.188 4.912 15.674 1.00 0.00 C ATOM 438 O SER A 29 4.695 5.099 16.781 1.00 0.00 O ATOM 439 CB SER A 29 2.133 6.176 15.012 1.00 0.00 C ATOM 440 OG SER A 29 1.606 7.246 14.248 1.00 0.00 O ATOM 0 H SER A 29 3.343 5.367 12.903 1.00 0.00 H new ATOM 0 HA SER A 29 4.107 6.999 15.217 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.671 5.240 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.884 6.319 16.064 1.00 0.00 H new ATOM 0 HG SER A 29 0.634 7.285 14.367 1.00 0.00 H new ATOM 446 N HIS A 30 4.072 3.707 15.126 1.00 0.00 N ATOM 447 CA HIS A 30 4.546 2.508 15.808 1.00 0.00 C ATOM 448 C HIS A 30 5.759 1.920 15.093 1.00 0.00 C ATOM 449 O HIS A 30 5.754 1.755 13.874 1.00 0.00 O ATOM 450 CB HIS A 30 3.430 1.465 15.885 1.00 0.00 C ATOM 451 CG HIS A 30 3.514 0.587 17.096 1.00 0.00 C ATOM 452 ND1 HIS A 30 4.258 -0.573 17.134 1.00 0.00 N ATOM 453 CD2 HIS A 30 2.942 0.706 18.317 1.00 0.00 C ATOM 454 CE1 HIS A 30 4.140 -1.130 18.326 1.00 0.00 C ATOM 455 NE2 HIS A 30 3.346 -0.374 19.063 1.00 0.00 N ATOM 0 H HIS A 30 3.654 3.535 14.212 1.00 0.00 H new ATOM 0 HA HIS A 30 4.842 2.788 16.819 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.467 1.975 15.882 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.464 0.842 14.991 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.289 1.502 18.644 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.612 -2.048 18.644 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.077 -0.562 20.029 1.00 0.00 H new ATOM 463 N SER A 31 6.798 1.607 15.861 1.00 0.00 N ATOM 464 CA SER A 31 8.020 1.042 15.301 1.00 0.00 C ATOM 465 C SER A 31 7.704 -0.144 14.395 1.00 0.00 C ATOM 466 O SER A 31 8.216 -0.241 13.280 1.00 0.00 O ATOM 467 CB SER A 31 8.965 0.604 16.422 1.00 0.00 C ATOM 468 OG SER A 31 8.407 -0.459 17.174 1.00 0.00 O ATOM 0 H SER A 31 6.818 1.735 16.873 1.00 0.00 H new ATOM 0 HA SER A 31 8.508 1.813 14.705 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.918 0.291 15.996 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.171 1.449 17.079 1.00 0.00 H new ATOM 0 HG SER A 31 9.031 -0.721 17.883 1.00 0.00 H new ATOM 474 N SER A 32 6.857 -1.045 14.883 1.00 0.00 N ATOM 475 CA SER A 32 6.475 -2.227 14.120 1.00 0.00 C ATOM 476 C SER A 32 6.141 -1.858 12.678 1.00 0.00 C ATOM 477 O SER A 32 6.592 -2.512 11.737 1.00 0.00 O ATOM 478 CB SER A 32 5.276 -2.917 14.773 1.00 0.00 C ATOM 479 OG SER A 32 5.652 -3.557 15.980 1.00 0.00 O ATOM 0 H SER A 32 6.422 -0.979 15.803 1.00 0.00 H new ATOM 0 HA SER A 32 7.321 -2.914 14.114 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.495 -2.183 14.974 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.855 -3.650 14.085 1.00 0.00 H new ATOM 0 HG SER A 32 4.868 -3.989 16.379 1.00 0.00 H new ATOM 485 N ASP A 33 5.347 -0.806 12.512 1.00 0.00 N ATOM 486 CA ASP A 33 4.951 -0.348 11.185 1.00 0.00 C ATOM 487 C ASP A 33 6.176 -0.036 10.331 1.00 0.00 C ATOM 488 O ASP A 33 6.343 -0.586 9.242 1.00 0.00 O ATOM 489 CB ASP A 33 4.060 0.890 11.295 1.00 0.00 C ATOM 490 CG ASP A 33 2.778 0.616 12.056 1.00 0.00 C ATOM 491 OD1 ASP A 33 2.338 -0.552 12.074 1.00 0.00 O ATOM 492 OD2 ASP A 33 2.216 1.569 12.634 1.00 0.00 O ATOM 0 H ASP A 33 4.965 -0.254 13.280 1.00 0.00 H new ATOM 0 HA ASP A 33 4.389 -1.148 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.611 1.687 11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.816 1.248 10.295 1.00 0.00 H new ATOM 497 N LEU A 34 7.028 0.852 10.831 1.00 0.00 N ATOM 498 CA LEU A 34 8.238 1.239 10.113 1.00 0.00 C ATOM 499 C LEU A 34 9.028 0.011 9.674 1.00 0.00 C ATOM 500 O LEU A 34 9.393 -0.120 8.506 1.00 0.00 O ATOM 501 CB LEU A 34 9.113 2.134 10.994 1.00 0.00 C ATOM 502 CG LEU A 34 10.521 2.419 10.471 1.00 0.00 C ATOM 503 CD1 LEU A 34 10.461 3.269 9.211 1.00 0.00 C ATOM 504 CD2 LEU A 34 11.358 3.106 11.540 1.00 0.00 C ATOM 0 H LEU A 34 6.904 1.317 11.730 1.00 0.00 H new ATOM 0 HA LEU A 34 7.941 1.794 9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.600 3.085 11.134 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.199 1.670 11.977 1.00 0.00 H new ATOM 0 HG LEU A 34 10.994 1.469 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.473 3.462 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.899 2.740 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.969 4.216 9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.357 3.301 11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.887 4.048 11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.430 2.461 12.416 1.00 0.00 H new ATOM 516 N SER A 35 9.286 -0.889 10.618 1.00 0.00 N ATOM 517 CA SER A 35 10.033 -2.107 10.329 1.00 0.00 C ATOM 518 C SER A 35 9.526 -2.765 9.049 1.00 0.00 C ATOM 519 O SER A 35 10.312 -3.211 8.212 1.00 0.00 O ATOM 520 CB SER A 35 9.923 -3.088 11.497 1.00 0.00 C ATOM 521 OG SER A 35 10.725 -4.236 11.278 1.00 0.00 O ATOM 0 H SER A 35 8.989 -0.797 11.589 1.00 0.00 H new ATOM 0 HA SER A 35 11.079 -1.836 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.232 -2.596 12.419 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.883 -3.387 11.628 1.00 0.00 H new ATOM 0 HG SER A 35 10.638 -4.846 12.040 1.00 0.00 H new ATOM 527 N LYS A 36 8.207 -2.821 8.902 1.00 0.00 N ATOM 528 CA LYS A 36 7.592 -3.422 7.725 1.00 0.00 C ATOM 529 C LYS A 36 7.858 -2.579 6.482 1.00 0.00 C ATOM 530 O LYS A 36 8.065 -3.111 5.391 1.00 0.00 O ATOM 531 CB LYS A 36 6.085 -3.579 7.935 1.00 0.00 C ATOM 532 CG LYS A 36 5.723 -4.564 9.034 1.00 0.00 C ATOM 533 CD LYS A 36 4.276 -5.014 8.925 1.00 0.00 C ATOM 534 CE LYS A 36 3.346 -4.093 9.700 1.00 0.00 C ATOM 535 NZ LYS A 36 2.076 -4.774 10.075 1.00 0.00 N ATOM 0 H LYS A 36 7.542 -2.457 9.585 1.00 0.00 H new ATOM 0 HA LYS A 36 8.036 -4.406 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.657 -2.606 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.629 -3.906 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.380 -5.432 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.889 -4.102 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.978 -5.035 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.181 -6.032 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.850 -3.743 10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.122 -3.213 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.470 -4.113 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.582 -5.086 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.288 -5.599 10.671 1.00 0.00 H new ATOM 549 N HIS A 37 7.851 -1.261 6.654 1.00 0.00 N ATOM 550 CA HIS A 37 8.093 -0.343 5.546 1.00 0.00 C ATOM 551 C HIS A 37 9.486 -0.555 4.960 1.00 0.00 C ATOM 552 O HIS A 37 9.632 -0.852 3.774 1.00 0.00 O ATOM 553 CB HIS A 37 7.938 1.105 6.011 1.00 0.00 C ATOM 554 CG HIS A 37 8.644 2.094 5.137 1.00 0.00 C ATOM 555 ND1 HIS A 37 8.170 2.477 3.900 1.00 0.00 N ATOM 556 CD2 HIS A 37 9.794 2.781 5.327 1.00 0.00 C ATOM 557 CE1 HIS A 37 9.000 3.356 3.366 1.00 0.00 C ATOM 558 NE2 HIS A 37 9.994 3.558 4.212 1.00 0.00 N ATOM 0 H HIS A 37 7.680 -0.804 7.550 1.00 0.00 H new ATOM 0 HA HIS A 37 7.356 -0.548 4.770 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.878 1.355 6.045 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.320 1.194 7.028 1.00 0.00 H new ATOM 0 HD1 HIS A 37 7.313 2.135 3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.436 2.728 6.194 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.885 3.829 2.402 1.00 0.00 H new ATOM 566 N ARG A 38 10.505 -0.400 5.798 1.00 0.00 N ATOM 567 CA ARG A 38 11.886 -0.572 5.363 1.00 0.00 C ATOM 568 C ARG A 38 11.995 -1.691 4.331 1.00 0.00 C ATOM 569 O ARG A 38 12.788 -1.608 3.393 1.00 0.00 O ATOM 570 CB ARG A 38 12.786 -0.879 6.561 1.00 0.00 C ATOM 571 CG ARG A 38 13.395 0.359 7.198 1.00 0.00 C ATOM 572 CD ARG A 38 12.507 0.910 8.304 1.00 0.00 C ATOM 573 NE ARG A 38 12.839 0.339 9.607 1.00 0.00 N ATOM 574 CZ ARG A 38 13.831 0.781 10.372 1.00 0.00 C ATOM 575 NH1 ARG A 38 14.584 1.794 9.967 1.00 0.00 N ATOM 576 NH2 ARG A 38 14.070 0.210 11.546 1.00 0.00 N ATOM 0 H ARG A 38 10.401 -0.155 6.783 1.00 0.00 H new ATOM 0 HA ARG A 38 12.214 0.359 4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.206 -1.416 7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.588 -1.545 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.376 0.115 7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.547 1.124 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.611 1.994 8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.464 0.698 8.071 1.00 0.00 H new ATOM 0 HE ARG A 38 12.278 -0.442 9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.402 2.236 9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.345 2.131 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.492 -0.569 11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.832 0.550 12.133 1.00 0.00 H new ATOM 590 N ARG A 39 11.193 -2.736 4.512 1.00 0.00 N ATOM 591 CA ARG A 39 11.201 -3.872 3.598 1.00 0.00 C ATOM 592 C ARG A 39 10.991 -3.412 2.158 1.00 0.00 C ATOM 593 O ARG A 39 11.729 -3.808 1.255 1.00 0.00 O ATOM 594 CB ARG A 39 10.114 -4.875 3.988 1.00 0.00 C ATOM 595 CG ARG A 39 10.240 -5.385 5.414 1.00 0.00 C ATOM 596 CD ARG A 39 9.431 -6.656 5.625 1.00 0.00 C ATOM 597 NE ARG A 39 9.456 -7.096 7.017 1.00 0.00 N ATOM 598 CZ ARG A 39 9.223 -8.348 7.396 1.00 0.00 C ATOM 599 NH1 ARG A 39 8.951 -9.278 6.492 1.00 0.00 N ATOM 600 NH2 ARG A 39 9.264 -8.671 8.682 1.00 0.00 N ATOM 0 H ARG A 39 10.530 -2.819 5.283 1.00 0.00 H new ATOM 0 HA ARG A 39 12.175 -4.357 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.138 -4.407 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.151 -5.722 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.288 -5.578 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.900 -4.616 6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.399 -6.484 5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.826 -7.447 4.988 1.00 0.00 H new ATOM 0 HE ARG A 39 9.664 -6.405 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.920 -9.034 5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.773 -10.238 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.474 -7.958 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.085 -9.632 8.972 1.00 0.00 H new ATOM 614 N THR A 40 9.980 -2.575 1.951 1.00 0.00 N ATOM 615 CA THR A 40 9.671 -2.064 0.621 1.00 0.00 C ATOM 616 C THR A 40 10.943 -1.714 -0.142 1.00 0.00 C ATOM 617 O THR A 40 11.006 -1.855 -1.364 1.00 0.00 O ATOM 618 CB THR A 40 8.770 -0.816 0.695 1.00 0.00 C ATOM 619 OG1 THR A 40 9.445 0.234 1.396 1.00 0.00 O ATOM 620 CG2 THR A 40 7.457 -1.137 1.392 1.00 0.00 C ATOM 0 H THR A 40 9.361 -2.236 2.687 1.00 0.00 H new ATOM 0 HA THR A 40 9.140 -2.856 0.093 1.00 0.00 H new ATOM 0 HB THR A 40 8.552 -0.491 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.744 -0.095 2.269 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.838 -0.241 1.432 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.932 -1.916 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.658 -1.485 2.405 1.00 0.00 H new ATOM 628 N HIS A 41 11.958 -1.256 0.586 1.00 0.00 N ATOM 629 CA HIS A 41 13.230 -0.887 -0.024 1.00 0.00 C ATOM 630 C HIS A 41 14.037 -2.129 -0.391 1.00 0.00 C ATOM 631 O HIS A 41 15.146 -2.331 0.104 1.00 0.00 O ATOM 632 CB HIS A 41 14.038 -0.003 0.927 1.00 0.00 C ATOM 633 CG HIS A 41 13.413 1.336 1.176 1.00 0.00 C ATOM 634 ND1 HIS A 41 13.412 2.350 0.242 1.00 0.00 N ATOM 635 CD2 HIS A 41 12.766 1.823 2.260 1.00 0.00 C ATOM 636 CE1 HIS A 41 12.792 3.405 0.742 1.00 0.00 C ATOM 637 NE2 HIS A 41 12.390 3.110 1.965 1.00 0.00 N ATOM 0 H HIS A 41 11.924 -1.132 1.598 1.00 0.00 H new ATOM 0 HA HIS A 41 13.019 -0.329 -0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 41 14.158 -0.521 1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 41 15.037 0.142 0.515 1.00 0.00 H new ATOM 0 HD1 HIS A 41 13.825 2.295 -0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.580 1.297 3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 41 12.640 4.347 0.237 1.00 0.00 H new ATOM 645 N THR A 42 13.473 -2.959 -1.263 1.00 0.00 N ATOM 646 CA THR A 42 14.138 -4.181 -1.695 1.00 0.00 C ATOM 647 C THR A 42 14.040 -4.356 -3.206 1.00 0.00 C ATOM 648 O THR A 42 13.272 -5.183 -3.697 1.00 0.00 O ATOM 649 CB THR A 42 13.538 -5.421 -1.006 1.00 0.00 C ATOM 650 OG1 THR A 42 14.033 -6.614 -1.626 1.00 0.00 O ATOM 651 CG2 THR A 42 12.019 -5.399 -1.080 1.00 0.00 C ATOM 0 H THR A 42 12.556 -2.806 -1.684 1.00 0.00 H new ATOM 0 HA THR A 42 15.186 -4.088 -1.410 1.00 0.00 H new ATOM 0 HB THR A 42 13.836 -5.406 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.690 -6.673 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.618 -6.284 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.643 -4.505 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.706 -5.392 -2.124 1.00 0.00 H new ATOM 659 N GLY A 43 14.824 -3.572 -3.941 1.00 0.00 N ATOM 660 CA GLY A 43 14.809 -3.656 -5.389 1.00 0.00 C ATOM 661 C GLY A 43 13.411 -3.831 -5.946 1.00 0.00 C ATOM 662 O GLY A 43 13.196 -4.622 -6.865 1.00 0.00 O ATOM 0 H GLY A 43 15.469 -2.880 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.252 -2.752 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.431 -4.493 -5.708 1.00 0.00 H new ATOM 666 N GLU A 44 12.456 -3.094 -5.388 1.00 0.00 N ATOM 667 CA GLU A 44 11.070 -3.174 -5.834 1.00 0.00 C ATOM 668 C GLU A 44 10.357 -1.839 -5.637 1.00 0.00 C ATOM 669 O GLU A 44 10.925 -0.893 -5.091 1.00 0.00 O ATOM 670 CB GLU A 44 10.330 -4.277 -5.075 1.00 0.00 C ATOM 671 CG GLU A 44 9.205 -4.916 -5.872 1.00 0.00 C ATOM 672 CD GLU A 44 8.840 -6.296 -5.363 1.00 0.00 C ATOM 673 OE1 GLU A 44 8.424 -6.406 -4.190 1.00 0.00 O ATOM 674 OE2 GLU A 44 8.969 -7.267 -6.137 1.00 0.00 O ATOM 0 H GLU A 44 12.617 -2.435 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 44 11.070 -3.412 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.043 -5.049 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.921 -3.861 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.325 -4.273 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.501 -4.985 -6.919 1.00 0.00 H new ATOM 681 N LYS A 45 9.108 -1.771 -6.086 1.00 0.00 N ATOM 682 CA LYS A 45 8.315 -0.554 -5.959 1.00 0.00 C ATOM 683 C LYS A 45 8.669 0.196 -4.679 1.00 0.00 C ATOM 684 O LYS A 45 8.168 -0.107 -3.596 1.00 0.00 O ATOM 685 CB LYS A 45 6.822 -0.890 -5.970 1.00 0.00 C ATOM 686 CG LYS A 45 6.413 -1.804 -7.112 1.00 0.00 C ATOM 687 CD LYS A 45 4.930 -1.682 -7.420 1.00 0.00 C ATOM 688 CE LYS A 45 4.502 -2.663 -8.501 1.00 0.00 C ATOM 689 NZ LYS A 45 4.214 -4.013 -7.943 1.00 0.00 N ATOM 0 H LYS A 45 8.623 -2.545 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 45 8.543 0.088 -6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.558 -1.363 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.250 0.036 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.992 -1.557 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.648 -2.837 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.353 -1.864 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.707 -0.665 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.614 -2.282 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.288 -2.741 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.926 -4.652 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.068 -4.388 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.447 -3.943 -7.244 1.00 0.00 H new ATOM 703 N PRO A 46 9.551 1.198 -4.803 1.00 0.00 N ATOM 704 CA PRO A 46 9.990 2.012 -3.666 1.00 0.00 C ATOM 705 C PRO A 46 8.883 2.922 -3.144 1.00 0.00 C ATOM 706 O PRO A 46 9.094 3.703 -2.215 1.00 0.00 O ATOM 707 CB PRO A 46 11.136 2.845 -4.247 1.00 0.00 C ATOM 708 CG PRO A 46 10.850 2.916 -5.707 1.00 0.00 C ATOM 709 CD PRO A 46 10.189 1.613 -6.064 1.00 0.00 C ATOM 0 HA PRO A 46 10.280 1.398 -2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.168 3.839 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.102 2.378 -4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.199 3.759 -5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.768 3.057 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.457 1.739 -6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.914 0.876 -6.409 1.00 0.00 H new ATOM 717 N TYR A 47 7.703 2.815 -3.744 1.00 0.00 N ATOM 718 CA TYR A 47 6.563 3.629 -3.340 1.00 0.00 C ATOM 719 C TYR A 47 5.389 2.751 -2.917 1.00 0.00 C ATOM 720 O TYR A 47 5.093 1.740 -3.553 1.00 0.00 O ATOM 721 CB TYR A 47 6.138 4.552 -4.484 1.00 0.00 C ATOM 722 CG TYR A 47 7.280 5.340 -5.083 1.00 0.00 C ATOM 723 CD1 TYR A 47 7.713 6.525 -4.501 1.00 0.00 C ATOM 724 CD2 TYR A 47 7.928 4.900 -6.231 1.00 0.00 C ATOM 725 CE1 TYR A 47 8.756 7.249 -5.045 1.00 0.00 C ATOM 726 CE2 TYR A 47 8.973 5.616 -6.781 1.00 0.00 C ATOM 727 CZ TYR A 47 9.383 6.791 -6.185 1.00 0.00 C ATOM 728 OH TYR A 47 10.423 7.508 -6.729 1.00 0.00 O ATOM 0 H TYR A 47 7.511 2.172 -4.512 1.00 0.00 H new ATOM 0 HA TYR A 47 6.866 4.235 -2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.670 3.955 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.382 5.246 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.226 6.886 -3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.609 3.982 -6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.079 8.169 -4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.467 5.258 -7.673 1.00 0.00 H new ATOM 0 HH TYR A 47 10.755 7.048 -7.528 1.00 0.00 H new ATOM 738 N LYS A 48 4.724 3.146 -1.837 1.00 0.00 N ATOM 739 CA LYS A 48 3.580 2.399 -1.326 1.00 0.00 C ATOM 740 C LYS A 48 2.857 3.187 -0.239 1.00 0.00 C ATOM 741 O LYS A 48 3.425 3.478 0.814 1.00 0.00 O ATOM 742 CB LYS A 48 4.035 1.046 -0.773 1.00 0.00 C ATOM 743 CG LYS A 48 2.888 0.149 -0.341 1.00 0.00 C ATOM 744 CD LYS A 48 3.296 -0.767 0.800 1.00 0.00 C ATOM 745 CE LYS A 48 2.226 -1.810 1.088 1.00 0.00 C ATOM 746 NZ LYS A 48 1.028 -1.210 1.737 1.00 0.00 N ATOM 0 H LYS A 48 4.957 3.980 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 48 2.887 2.234 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.622 0.531 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.694 1.214 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.042 0.762 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.554 -0.450 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.233 -1.265 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.478 -0.174 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.931 -2.294 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.639 -2.585 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.975 -1.525 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.100 -0.173 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.171 -1.513 1.231 1.00 0.00 H new ATOM 760 N CYS A 49 1.599 3.528 -0.500 1.00 0.00 N ATOM 761 CA CYS A 49 0.797 4.282 0.456 1.00 0.00 C ATOM 762 C CYS A 49 0.378 3.400 1.629 1.00 0.00 C ATOM 763 O CYS A 49 0.252 2.183 1.490 1.00 0.00 O ATOM 764 CB CYS A 49 -0.443 4.859 -0.230 1.00 0.00 C ATOM 765 SG CYS A 49 -1.593 5.705 0.901 1.00 0.00 S ATOM 0 H CYS A 49 1.113 3.294 -1.366 1.00 0.00 H new ATOM 0 HA CYS A 49 1.407 5.101 0.838 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.125 5.562 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.974 4.052 -0.735 1.00 0.00 H new ATOM 770 N ASP A 50 0.164 4.023 2.783 1.00 0.00 N ATOM 771 CA ASP A 50 -0.241 3.296 3.980 1.00 0.00 C ATOM 772 C ASP A 50 -1.748 3.401 4.195 1.00 0.00 C ATOM 773 O ASP A 50 -2.402 2.423 4.556 1.00 0.00 O ATOM 774 CB ASP A 50 0.500 3.834 5.205 1.00 0.00 C ATOM 775 CG ASP A 50 0.601 2.808 6.317 1.00 0.00 C ATOM 776 OD1 ASP A 50 1.345 1.819 6.145 1.00 0.00 O ATOM 777 OD2 ASP A 50 -0.063 2.993 7.358 1.00 0.00 O ATOM 0 H ASP A 50 0.264 5.030 2.914 1.00 0.00 H new ATOM 0 HA ASP A 50 0.016 2.246 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.502 4.147 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.015 4.720 5.577 1.00 0.00 H new ATOM 782 N GLU A 51 -2.291 4.594 3.971 1.00 0.00 N ATOM 783 CA GLU A 51 -3.720 4.826 4.143 1.00 0.00 C ATOM 784 C GLU A 51 -4.536 3.768 3.405 1.00 0.00 C ATOM 785 O GLU A 51 -5.454 3.172 3.968 1.00 0.00 O ATOM 786 CB GLU A 51 -4.097 6.220 3.638 1.00 0.00 C ATOM 787 CG GLU A 51 -3.527 7.348 4.482 1.00 0.00 C ATOM 788 CD GLU A 51 -4.289 7.549 5.778 1.00 0.00 C ATOM 789 OE1 GLU A 51 -4.230 6.655 6.647 1.00 0.00 O ATOM 790 OE2 GLU A 51 -4.944 8.603 5.922 1.00 0.00 O ATOM 0 H GLU A 51 -1.763 5.414 3.670 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.947 4.759 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.747 6.333 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.183 6.308 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.482 7.135 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.546 8.273 3.906 1.00 0.00 H new ATOM 797 N CYS A 52 -4.194 3.541 2.141 1.00 0.00 N ATOM 798 CA CYS A 52 -4.894 2.557 1.324 1.00 0.00 C ATOM 799 C CYS A 52 -4.127 1.239 1.286 1.00 0.00 C ATOM 800 O CYS A 52 -4.719 0.162 1.350 1.00 0.00 O ATOM 801 CB CYS A 52 -5.088 3.089 -0.097 1.00 0.00 C ATOM 802 SG CYS A 52 -3.533 3.456 -0.973 1.00 0.00 S ATOM 0 H CYS A 52 -3.436 4.025 1.660 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.871 2.376 1.773 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.653 2.357 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.691 3.996 -0.055 1.00 0.00 H new ATOM 807 N GLY A 53 -2.805 1.332 1.180 1.00 0.00 N ATOM 808 CA GLY A 53 -1.978 0.140 1.135 1.00 0.00 C ATOM 809 C GLY A 53 -1.716 -0.330 -0.282 1.00 0.00 C ATOM 810 O GLY A 53 -1.773 -1.527 -0.568 1.00 0.00 O ATOM 0 H GLY A 53 -2.292 2.212 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.028 0.342 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.465 -0.658 1.695 1.00 0.00 H new ATOM 814 N LYS A 54 -1.429 0.612 -1.173 1.00 0.00 N ATOM 815 CA LYS A 54 -1.157 0.290 -2.568 1.00 0.00 C ATOM 816 C LYS A 54 0.265 0.688 -2.952 1.00 0.00 C ATOM 817 O LYS A 54 0.792 1.688 -2.465 1.00 0.00 O ATOM 818 CB LYS A 54 -2.160 0.998 -3.482 1.00 0.00 C ATOM 819 CG LYS A 54 -2.078 0.557 -4.933 1.00 0.00 C ATOM 820 CD LYS A 54 -2.973 1.401 -5.824 1.00 0.00 C ATOM 821 CE LYS A 54 -2.630 1.217 -7.294 1.00 0.00 C ATOM 822 NZ LYS A 54 -3.220 2.291 -8.140 1.00 0.00 N ATOM 0 H LYS A 54 -1.379 1.607 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.260 -0.788 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.169 0.814 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.992 2.074 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.047 0.630 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.368 -0.491 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.015 1.130 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.870 2.452 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.547 1.212 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.993 0.247 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.963 2.130 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.255 2.280 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.854 3.215 -7.833 1.00 0.00 H new ATOM 836 N ALA A 55 0.879 -0.100 -3.828 1.00 0.00 N ATOM 837 CA ALA A 55 2.238 0.173 -4.280 1.00 0.00 C ATOM 838 C ALA A 55 2.236 0.887 -5.626 1.00 0.00 C ATOM 839 O ALA A 55 1.373 0.642 -6.469 1.00 0.00 O ATOM 840 CB ALA A 55 3.035 -1.121 -4.367 1.00 0.00 C ATOM 0 H ALA A 55 0.457 -0.933 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 55 2.712 0.830 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.048 -0.902 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.074 -1.591 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.554 -1.798 -5.073 1.00 0.00 H new ATOM 846 N PHE A 56 3.207 1.773 -5.823 1.00 0.00 N ATOM 847 CA PHE A 56 3.316 2.525 -7.067 1.00 0.00 C ATOM 848 C PHE A 56 4.740 2.469 -7.614 1.00 0.00 C ATOM 849 O PHE A 56 5.692 2.226 -6.872 1.00 0.00 O ATOM 850 CB PHE A 56 2.900 3.981 -6.846 1.00 0.00 C ATOM 851 CG PHE A 56 1.595 4.127 -6.117 1.00 0.00 C ATOM 852 CD1 PHE A 56 1.509 3.853 -4.762 1.00 0.00 C ATOM 853 CD2 PHE A 56 0.455 4.540 -6.787 1.00 0.00 C ATOM 854 CE1 PHE A 56 0.309 3.986 -4.089 1.00 0.00 C ATOM 855 CE2 PHE A 56 -0.748 4.675 -6.119 1.00 0.00 C ATOM 856 CZ PHE A 56 -0.820 4.399 -4.768 1.00 0.00 C ATOM 0 H PHE A 56 3.930 1.988 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 56 2.647 2.070 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.681 4.492 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.825 4.480 -7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.389 3.532 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.507 4.759 -7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.255 3.767 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.630 4.996 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.758 4.506 -4.243 1.00 0.00 H new ATOM 866 N ILE A 57 4.876 2.694 -8.916 1.00 0.00 N ATOM 867 CA ILE A 57 6.182 2.670 -9.562 1.00 0.00 C ATOM 868 C ILE A 57 6.749 4.077 -9.711 1.00 0.00 C ATOM 869 O ILE A 57 7.886 4.343 -9.322 1.00 0.00 O ATOM 870 CB ILE A 57 6.111 2.008 -10.951 1.00 0.00 C ATOM 871 CG1 ILE A 57 5.653 0.554 -10.825 1.00 0.00 C ATOM 872 CG2 ILE A 57 7.463 2.085 -11.645 1.00 0.00 C ATOM 873 CD1 ILE A 57 4.150 0.388 -10.863 1.00 0.00 C ATOM 0 H ILE A 57 4.098 2.895 -9.544 1.00 0.00 H new ATOM 0 HA ILE A 57 6.839 2.082 -8.921 1.00 0.00 H new ATOM 0 HB ILE A 57 5.383 2.547 -11.557 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.095 -0.029 -11.633 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.032 0.142 -9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.396 1.613 -12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.752 3.129 -11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.211 1.568 -11.044 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.898 -0.668 -10.769 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.702 0.943 -10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.766 0.769 -11.809 1.00 0.00 H new ATOM 885 N GLN A 58 5.947 4.976 -10.274 1.00 0.00 N ATOM 886 CA GLN A 58 6.369 6.357 -10.473 1.00 0.00 C ATOM 887 C GLN A 58 5.882 7.244 -9.332 1.00 0.00 C ATOM 888 O GLN A 58 4.969 6.876 -8.593 1.00 0.00 O ATOM 889 CB GLN A 58 5.841 6.887 -11.807 1.00 0.00 C ATOM 890 CG GLN A 58 6.701 6.497 -12.999 1.00 0.00 C ATOM 891 CD GLN A 58 8.097 7.084 -12.929 1.00 0.00 C ATOM 892 OE1 GLN A 58 8.292 8.193 -12.431 1.00 0.00 O ATOM 893 NE2 GLN A 58 9.078 6.340 -13.427 1.00 0.00 N ATOM 0 H GLN A 58 5.002 4.772 -10.600 1.00 0.00 H new ATOM 0 HA GLN A 58 7.459 6.379 -10.487 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.829 6.514 -11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.776 7.974 -11.757 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.770 5.410 -13.052 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.216 6.831 -13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.871 5.426 -13.830 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.039 6.682 -13.406 1.00 0.00 H new ATOM 902 N ARG A 59 6.498 8.414 -9.194 1.00 0.00 N ATOM 903 CA ARG A 59 6.127 9.353 -8.142 1.00 0.00 C ATOM 904 C ARG A 59 4.747 9.948 -8.405 1.00 0.00 C ATOM 905 O ARG A 59 3.838 9.818 -7.586 1.00 0.00 O ATOM 906 CB ARG A 59 7.166 10.471 -8.039 1.00 0.00 C ATOM 907 CG ARG A 59 8.294 10.167 -7.066 1.00 0.00 C ATOM 908 CD ARG A 59 7.964 10.647 -5.662 1.00 0.00 C ATOM 909 NE ARG A 59 9.166 10.921 -4.880 1.00 0.00 N ATOM 910 CZ ARG A 59 9.879 12.036 -4.994 1.00 0.00 C ATOM 911 NH1 ARG A 59 9.511 12.977 -5.853 1.00 0.00 N ATOM 912 NH2 ARG A 59 10.961 12.212 -4.247 1.00 0.00 N ATOM 0 H ARG A 59 7.256 8.734 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 59 6.094 8.809 -7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.589 10.654 -9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.669 11.390 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.482 9.093 -7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.211 10.646 -7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.357 11.550 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.365 9.893 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 59 9.475 10.218 -4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.679 12.845 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.060 13.832 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.246 11.491 -3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.508 13.068 -4.335 1.00 0.00 H new ATOM 926 N SER A 60 4.600 10.602 -9.553 1.00 0.00 N ATOM 927 CA SER A 60 3.333 11.222 -9.922 1.00 0.00 C ATOM 928 C SER A 60 2.163 10.293 -9.611 1.00 0.00 C ATOM 929 O SER A 60 1.098 10.739 -9.183 1.00 0.00 O ATOM 930 CB SER A 60 3.331 11.582 -11.409 1.00 0.00 C ATOM 931 OG SER A 60 3.779 10.493 -12.198 1.00 0.00 O ATOM 0 H SER A 60 5.342 10.716 -10.243 1.00 0.00 H new ATOM 0 HA SER A 60 3.218 12.133 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.325 11.868 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.973 12.446 -11.578 1.00 0.00 H new ATOM 0 HG SER A 60 3.767 10.748 -13.144 1.00 0.00 H new ATOM 937 N HIS A 61 2.369 8.998 -9.829 1.00 0.00 N ATOM 938 CA HIS A 61 1.333 8.004 -9.572 1.00 0.00 C ATOM 939 C HIS A 61 0.835 8.099 -8.133 1.00 0.00 C ATOM 940 O HIS A 61 -0.361 7.965 -7.869 1.00 0.00 O ATOM 941 CB HIS A 61 1.865 6.598 -9.848 1.00 0.00 C ATOM 942 CG HIS A 61 2.250 6.373 -11.278 1.00 0.00 C ATOM 943 ND1 HIS A 61 2.631 7.246 -12.240 1.00 0.00 N flip ATOM 944 CD2 HIS A 61 2.267 5.126 -11.866 1.00 0.00 C flip ATOM 945 CE1 HIS A 61 2.870 6.517 -13.379 1.00 0.00 C flip ATOM 946 NE2 HIS A 61 2.644 5.241 -13.127 1.00 0.00 N flip ATOM 0 H HIS A 61 3.244 8.612 -10.183 1.00 0.00 H new ATOM 0 HA HIS A 61 0.497 8.205 -10.242 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.733 6.416 -9.214 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.105 5.869 -9.566 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.012 4.200 -11.373 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.191 6.922 -14.327 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.743 4.474 -13.792 1.00 0.00 H new ATOM 954 N LEU A 62 1.758 8.330 -7.207 1.00 0.00 N ATOM 955 CA LEU A 62 1.413 8.442 -5.794 1.00 0.00 C ATOM 956 C LEU A 62 1.081 9.885 -5.427 1.00 0.00 C ATOM 957 O LEU A 62 0.046 10.159 -4.819 1.00 0.00 O ATOM 958 CB LEU A 62 2.566 7.935 -4.925 1.00 0.00 C ATOM 959 CG LEU A 62 2.570 8.409 -3.471 1.00 0.00 C ATOM 960 CD1 LEU A 62 1.371 7.845 -2.723 1.00 0.00 C ATOM 961 CD2 LEU A 62 3.867 8.009 -2.783 1.00 0.00 C ATOM 0 H LEU A 62 2.751 8.444 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 62 0.531 7.828 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.547 6.845 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.505 8.240 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 62 2.499 9.497 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.390 8.193 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.452 8.182 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.411 6.756 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.852 8.355 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.969 6.924 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.710 8.462 -3.305 1.00 0.00 H new ATOM 973 N ILE A 63 1.966 10.803 -5.801 1.00 0.00 N ATOM 974 CA ILE A 63 1.765 12.218 -5.514 1.00 0.00 C ATOM 975 C ILE A 63 0.295 12.603 -5.649 1.00 0.00 C ATOM 976 O ILE A 63 -0.310 13.123 -4.713 1.00 0.00 O ATOM 977 CB ILE A 63 2.605 13.107 -6.450 1.00 0.00 C ATOM 978 CG1 ILE A 63 4.094 12.801 -6.278 1.00 0.00 C ATOM 979 CG2 ILE A 63 2.326 14.577 -6.176 1.00 0.00 C ATOM 980 CD1 ILE A 63 4.964 13.410 -7.356 1.00 0.00 C ATOM 0 H ILE A 63 2.829 10.592 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 63 2.088 12.380 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 63 2.325 12.890 -7.481 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.423 13.169 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.237 11.720 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.927 15.192 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.269 14.784 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.582 14.809 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.007 13.152 -7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.662 13.023 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.851 14.494 -7.346 1.00 0.00 H new ATOM 992 N GLY A 64 -0.274 12.342 -6.822 1.00 0.00 N ATOM 993 CA GLY A 64 -1.669 12.666 -7.058 1.00 0.00 C ATOM 994 C GLY A 64 -2.609 11.838 -6.205 1.00 0.00 C ATOM 995 O GLY A 64 -3.552 12.366 -5.615 1.00 0.00 O ATOM 0 H GLY A 64 0.206 11.912 -7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.833 13.724 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.903 12.506 -8.111 1.00 0.00 H new ATOM 999 N HIS A 65 -2.353 10.535 -6.140 1.00 0.00 N ATOM 1000 CA HIS A 65 -3.185 9.631 -5.353 1.00 0.00 C ATOM 1001 C HIS A 65 -3.559 10.263 -4.016 1.00 0.00 C ATOM 1002 O HIS A 65 -4.701 10.160 -3.567 1.00 0.00 O ATOM 1003 CB HIS A 65 -2.457 8.307 -5.120 1.00 0.00 C ATOM 1004 CG HIS A 65 -2.955 7.553 -3.925 1.00 0.00 C ATOM 1005 ND1 HIS A 65 -4.276 7.194 -3.759 1.00 0.00 N ATOM 1006 CD2 HIS A 65 -2.299 7.086 -2.837 1.00 0.00 C ATOM 1007 CE1 HIS A 65 -4.412 6.542 -2.618 1.00 0.00 C ATOM 1008 NE2 HIS A 65 -3.227 6.463 -2.039 1.00 0.00 N ATOM 0 H HIS A 65 -1.577 10.082 -6.622 1.00 0.00 H new ATOM 0 HA HIS A 65 -4.101 9.439 -5.912 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.566 7.681 -6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.392 8.504 -4.997 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.030 7.400 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.243 7.185 -2.634 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.335 6.142 -2.225 1.00 0.00 H new ATOM 1016 N HIS A 66 -2.589 10.916 -3.384 1.00 0.00 N ATOM 1017 CA HIS A 66 -2.817 11.564 -2.097 1.00 0.00 C ATOM 1018 C HIS A 66 -4.201 12.204 -2.048 1.00 0.00 C ATOM 1019 O HIS A 66 -4.982 11.950 -1.130 1.00 0.00 O ATOM 1020 CB HIS A 66 -1.744 12.622 -1.838 1.00 0.00 C ATOM 1021 CG HIS A 66 -0.487 12.067 -1.242 1.00 0.00 C ATOM 1022 ND1 HIS A 66 0.377 11.248 -1.937 1.00 0.00 N ATOM 1023 CD2 HIS A 66 0.051 12.220 -0.010 1.00 0.00 C ATOM 1024 CE1 HIS A 66 1.391 10.919 -1.158 1.00 0.00 C ATOM 1025 NE2 HIS A 66 1.218 11.496 0.018 1.00 0.00 N ATOM 0 H HIS A 66 -1.638 11.010 -3.742 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.761 10.802 -1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.502 13.120 -2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.149 13.382 -1.169 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.252 10.944 -2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.361 12.803 0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 66 2.221 10.286 -1.435 1.00 0.00 H new ATOM 1033 N ARG A 67 -4.499 13.035 -3.041 1.00 0.00 N ATOM 1034 CA ARG A 67 -5.788 13.713 -3.110 1.00 0.00 C ATOM 1035 C ARG A 67 -6.931 12.733 -2.863 1.00 0.00 C ATOM 1036 O ARG A 67 -7.833 13.002 -2.070 1.00 0.00 O ATOM 1037 CB ARG A 67 -5.963 14.384 -4.474 1.00 0.00 C ATOM 1038 CG ARG A 67 -5.340 15.768 -4.556 1.00 0.00 C ATOM 1039 CD ARG A 67 -5.095 16.183 -5.998 1.00 0.00 C ATOM 1040 NE ARG A 67 -6.261 16.837 -6.586 1.00 0.00 N ATOM 1041 CZ ARG A 67 -6.339 17.192 -7.863 1.00 0.00 C ATOM 1042 NH1 ARG A 67 -5.324 16.957 -8.683 1.00 0.00 N ATOM 1043 NH2 ARG A 67 -7.434 17.783 -8.324 1.00 0.00 N ATOM 0 H ARG A 67 -3.865 13.255 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.811 14.476 -2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.520 13.749 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.027 14.460 -4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.996 16.493 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.398 15.777 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.241 16.859 -6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.836 15.304 -6.589 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.060 17.032 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.481 16.502 -8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.387 17.231 -9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.218 17.965 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.492 18.055 -9.305 1.00 0.00 H new ATOM 1057 N VAL A 68 -6.887 11.595 -3.548 1.00 0.00 N ATOM 1058 CA VAL A 68 -7.918 10.574 -3.403 1.00 0.00 C ATOM 1059 C VAL A 68 -8.398 10.479 -1.959 1.00 0.00 C ATOM 1060 O VAL A 68 -9.599 10.490 -1.691 1.00 0.00 O ATOM 1061 CB VAL A 68 -7.408 9.193 -3.855 1.00 0.00 C ATOM 1062 CG1 VAL A 68 -8.498 8.143 -3.699 1.00 0.00 C ATOM 1063 CG2 VAL A 68 -6.914 9.251 -5.293 1.00 0.00 C ATOM 0 H VAL A 68 -6.148 11.357 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.750 10.872 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.570 8.909 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.119 7.174 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.799 8.083 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.359 8.418 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.557 8.266 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.731 9.557 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.099 9.971 -5.369 1.00 0.00 H new ATOM 1073 N HIS A 69 -7.450 10.387 -1.031 1.00 0.00 N ATOM 1074 CA HIS A 69 -7.776 10.292 0.387 1.00 0.00 C ATOM 1075 C HIS A 69 -8.253 11.637 0.927 1.00 0.00 C ATOM 1076 O HIS A 69 -7.914 12.690 0.387 1.00 0.00 O ATOM 1077 CB HIS A 69 -6.560 9.812 1.180 1.00 0.00 C ATOM 1078 CG HIS A 69 -6.248 8.361 0.980 1.00 0.00 C ATOM 1079 ND1 HIS A 69 -7.221 7.392 0.859 1.00 0.00 N ATOM 1080 CD2 HIS A 69 -5.062 7.717 0.877 1.00 0.00 C ATOM 1081 CE1 HIS A 69 -6.647 6.214 0.693 1.00 0.00 C ATOM 1082 NE2 HIS A 69 -5.337 6.384 0.699 1.00 0.00 N ATOM 0 H HIS A 69 -6.451 10.376 -1.236 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.583 9.569 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.692 10.405 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.733 9.995 2.241 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -8.227 7.559 0.892 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.082 8.168 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.161 5.272 0.573 1.00 0.00 H new ATOM 1090 N THR A 70 -9.042 11.594 1.996 1.00 0.00 N ATOM 1091 CA THR A 70 -9.567 12.809 2.607 1.00 0.00 C ATOM 1092 C THR A 70 -9.062 12.967 4.037 1.00 0.00 C ATOM 1093 O THR A 70 -9.426 12.194 4.923 1.00 0.00 O ATOM 1094 CB THR A 70 -11.107 12.813 2.615 1.00 0.00 C ATOM 1095 OG1 THR A 70 -11.597 11.625 3.246 1.00 0.00 O ATOM 1096 CG2 THR A 70 -11.655 12.905 1.199 1.00 0.00 C ATOM 0 H THR A 70 -9.331 10.731 2.456 1.00 0.00 H new ATOM 0 HA THR A 70 -9.212 13.645 2.005 1.00 0.00 H new ATOM 0 HB THR A 70 -11.443 13.686 3.175 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.027 11.402 4.011 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.745 12.906 1.230 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.304 13.825 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.309 12.049 0.619 1.00 0.00 H new ATOM 1104 N GLY A 71 -8.222 13.974 4.255 1.00 0.00 N ATOM 1105 CA GLY A 71 -7.682 14.215 5.581 1.00 0.00 C ATOM 1106 C GLY A 71 -7.237 15.651 5.773 1.00 0.00 C ATOM 1107 O GLY A 71 -6.931 16.348 4.806 1.00 0.00 O ATOM 0 H GLY A 71 -7.906 14.627 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.437 13.969 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.836 13.550 5.752 1.00 0.00 H new ATOM 1111 N SER A 72 -7.204 16.096 7.025 1.00 0.00 N ATOM 1112 CA SER A 72 -6.799 17.461 7.341 1.00 0.00 C ATOM 1113 C SER A 72 -5.566 17.468 8.240 1.00 0.00 C ATOM 1114 O SER A 72 -5.477 18.252 9.184 1.00 0.00 O ATOM 1115 CB SER A 72 -7.945 18.211 8.022 1.00 0.00 C ATOM 1116 OG SER A 72 -8.960 18.546 7.091 1.00 0.00 O ATOM 0 H SER A 72 -7.453 15.531 7.837 1.00 0.00 H new ATOM 0 HA SER A 72 -6.549 17.965 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.365 17.595 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.563 19.118 8.490 1.00 0.00 H new ATOM 0 HG SER A 72 -9.682 19.023 7.551 1.00 0.00 H new ATOM 1122 N GLY A 73 -4.617 16.587 7.939 1.00 0.00 N ATOM 1123 CA GLY A 73 -3.402 16.507 8.729 1.00 0.00 C ATOM 1124 C GLY A 73 -3.636 15.889 10.093 1.00 0.00 C ATOM 1125 O GLY A 73 -4.454 14.983 10.255 1.00 0.00 O ATOM 0 H GLY A 73 -4.668 15.927 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.660 15.918 8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.987 17.507 8.853 1.00 0.00 H new ATOM 1129 N PRO A 74 -2.905 16.382 11.103 1.00 0.00 N ATOM 1130 CA PRO A 74 -3.019 15.886 12.478 1.00 0.00 C ATOM 1131 C PRO A 74 -4.347 16.266 13.124 1.00 0.00 C ATOM 1132 O PRO A 74 -5.136 17.015 12.547 1.00 0.00 O ATOM 1133 CB PRO A 74 -1.857 16.572 13.200 1.00 0.00 C ATOM 1134 CG PRO A 74 -1.599 17.809 12.411 1.00 0.00 C ATOM 1135 CD PRO A 74 -1.911 17.461 10.982 1.00 0.00 C ATOM 0 HA PRO A 74 -2.983 14.797 12.523 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.116 16.808 14.232 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.976 15.931 13.231 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.225 18.631 12.758 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.563 18.131 12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.311 18.317 10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.022 17.130 10.446 1.00 0.00 H new ATOM 1143 N SER A 75 -4.588 15.747 14.323 1.00 0.00 N ATOM 1144 CA SER A 75 -5.822 16.030 15.046 1.00 0.00 C ATOM 1145 C SER A 75 -6.073 17.533 15.124 1.00 0.00 C ATOM 1146 O SER A 75 -5.314 18.268 15.756 1.00 0.00 O ATOM 1147 CB SER A 75 -5.761 15.438 16.455 1.00 0.00 C ATOM 1148 OG SER A 75 -6.915 15.780 17.203 1.00 0.00 O ATOM 0 H SER A 75 -3.944 15.127 14.815 1.00 0.00 H new ATOM 0 HA SER A 75 -6.646 15.569 14.502 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.672 14.353 16.393 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.871 15.802 16.968 1.00 0.00 H new ATOM 0 HG SER A 75 -6.852 15.388 18.099 1.00 0.00 H new ATOM 1154 N SER A 76 -7.143 17.983 14.477 1.00 0.00 N ATOM 1155 CA SER A 76 -7.493 19.398 14.470 1.00 0.00 C ATOM 1156 C SER A 76 -7.713 19.911 15.890 1.00 0.00 C ATOM 1157 O SER A 76 -8.029 19.143 16.797 1.00 0.00 O ATOM 1158 CB SER A 76 -8.752 19.629 13.631 1.00 0.00 C ATOM 1159 OG SER A 76 -8.997 21.013 13.451 1.00 0.00 O ATOM 0 H SER A 76 -7.783 17.388 13.951 1.00 0.00 H new ATOM 0 HA SER A 76 -6.664 19.950 14.028 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.639 19.147 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.609 19.165 14.120 1.00 0.00 H new ATOM 0 HG SER A 76 -9.805 21.135 12.911 1.00 0.00 H new ATOM 1165 N GLY A 77 -7.543 21.217 16.074 1.00 0.00 N ATOM 1166 CA GLY A 77 -7.726 21.811 17.385 1.00 0.00 C ATOM 1167 C GLY A 77 -9.081 22.473 17.537 1.00 0.00 C ATOM 1168 O GLY A 77 -9.533 23.134 16.604 1.00 0.00 O ATOM 0 H GLY A 77 -7.282 21.874 15.339 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.613 21.041 18.148 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.943 22.549 17.559 1.00 0.00 H new TER 1172 GLY A 77 HETATM 1173 ZN ZN A 201 11.849 4.222 3.609 1.00 0.00 ZN HETATM 1174 ZN ZN A 401 -3.652 5.681 -0.205 1.00 0.00 ZN