USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.083) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 1.33 (180deg=1.27) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= -0.0767 (180deg=-0.457) USER MOD Single : A 29 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00714 X(o=-0.0071,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -1:sc= 0.0954! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.431 -0.969 0.947 1.00 72.21 N ATOM 2 CA SER A 1 3.353 -0.465 -0.065 1.00 21.12 C ATOM 3 C SER A 1 4.653 -1.264 -0.059 1.00 45.33 C ATOM 4 O SER A 1 5.459 -1.152 0.864 1.00 4.45 O ATOM 5 CB SER A 1 3.649 1.016 0.178 1.00 10.44 C ATOM 6 OG SER A 1 2.492 1.807 -0.024 1.00 60.43 O ATOM 0 H1 SER A 1 1.553 -0.411 0.926 1.00 72.21 H new ATOM 0 H2 SER A 1 2.212 -1.967 0.751 1.00 72.21 H new ATOM 0 H3 SER A 1 2.869 -0.889 1.887 1.00 72.21 H new ATOM 0 HA SER A 1 2.882 -0.578 -1.041 1.00 21.12 H new ATOM 0 HB2 SER A 1 4.015 1.155 1.195 1.00 10.44 H new ATOM 0 HB3 SER A 1 4.441 1.347 -0.494 1.00 10.44 H new ATOM 0 HG SER A 1 2.707 2.749 0.139 1.00 60.43 H new ATOM 12 N ASN A 2 4.849 -2.070 -1.096 1.00 23.30 N ATOM 13 CA ASN A 2 6.051 -2.888 -1.213 1.00 5.33 C ATOM 14 C ASN A 2 6.717 -2.688 -2.570 1.00 74.30 C ATOM 15 O ASN A 2 6.158 -3.051 -3.606 1.00 40.12 O ATOM 16 CB ASN A 2 5.709 -4.366 -1.013 1.00 13.33 C ATOM 17 CG ASN A 2 4.390 -4.746 -1.658 1.00 3.04 C ATOM 18 OD1 ASN A 2 4.344 -5.108 -2.834 1.00 33.21 O ATOM 19 ND2 ASN A 2 3.310 -4.665 -0.891 1.00 61.32 N ATOM 0 H ASN A 2 4.191 -2.175 -1.868 1.00 23.30 H new ATOM 0 HA ASN A 2 6.749 -2.575 -0.437 1.00 5.33 H new ATOM 0 HB2 ASN A 2 6.506 -4.981 -1.432 1.00 13.33 H new ATOM 0 HB3 ASN A 2 5.665 -4.585 0.054 1.00 13.33 H new ATOM 0 HD21 ASN A 2 2.395 -4.908 -1.271 1.00 61.32 H new ATOM 0 HD22 ASN A 2 3.395 -4.360 0.079 1.00 61.32 H new ATOM 26 N GLU A 3 7.913 -2.109 -2.557 1.00 13.45 N ATOM 27 CA GLU A 3 8.655 -1.861 -3.788 1.00 73.43 C ATOM 28 C GLU A 3 8.846 -3.153 -4.578 1.00 44.23 C ATOM 29 O GLU A 3 8.546 -4.243 -4.090 1.00 60.13 O ATOM 30 CB GLU A 3 10.016 -1.237 -3.473 1.00 22.32 C ATOM 31 CG GLU A 3 9.943 0.245 -3.142 1.00 15.25 C ATOM 32 CD GLU A 3 11.272 0.803 -2.670 1.00 55.13 C ATOM 33 OE1 GLU A 3 11.627 0.578 -1.495 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 11.957 1.464 -3.479 1.00 20.33 O ATOM 0 H GLU A 3 8.389 -1.803 -1.708 1.00 13.45 H new ATOM 0 HA GLU A 3 8.077 -1.165 -4.396 1.00 73.43 H new ATOM 0 HB2 GLU A 3 10.464 -1.767 -2.632 1.00 22.32 H new ATOM 0 HB3 GLU A 3 10.678 -1.378 -4.328 1.00 22.32 H new ATOM 0 HG2 GLU A 3 9.615 0.795 -4.024 1.00 15.25 H new ATOM 0 HG3 GLU A 3 9.191 0.404 -2.369 1.00 15.25 H new ATOM 41 N CYS A 4 9.348 -3.022 -5.802 1.00 52.22 N ATOM 42 CA CYS A 4 9.579 -4.177 -6.661 1.00 21.31 C ATOM 43 C CYS A 4 11.055 -4.569 -6.660 1.00 74.32 C ATOM 44 O CYS A 4 11.891 -3.874 -6.083 1.00 44.11 O ATOM 45 CB CYS A 4 9.122 -3.876 -8.090 1.00 51.15 C ATOM 46 SG CYS A 4 9.959 -2.450 -8.854 1.00 11.12 S ATOM 0 H CYS A 4 9.602 -2.127 -6.221 1.00 52.22 H new ATOM 0 HA CYS A 4 8.998 -5.012 -6.269 1.00 21.31 H new ATOM 0 HB2 CYS A 4 9.293 -4.758 -8.708 1.00 51.15 H new ATOM 0 HB3 CYS A 4 8.047 -3.693 -8.085 1.00 51.15 H new ATOM 51 N ILE A 5 11.364 -5.687 -7.307 1.00 31.52 N ATOM 52 CA ILE A 5 12.737 -6.171 -7.382 1.00 72.10 C ATOM 53 C ILE A 5 13.579 -5.295 -8.304 1.00 53.01 C ATOM 54 O ILE A 5 13.233 -5.087 -9.467 1.00 4.05 O ATOM 55 CB ILE A 5 12.795 -7.626 -7.882 1.00 12.53 C ATOM 56 CG1 ILE A 5 11.992 -8.540 -6.954 1.00 62.43 C ATOM 57 CG2 ILE A 5 14.238 -8.096 -7.979 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.585 -9.848 -7.596 1.00 31.22 C ATOM 0 H ILE A 5 10.682 -6.275 -7.787 1.00 31.52 H new ATOM 0 HA ILE A 5 13.143 -6.126 -6.371 1.00 72.10 H new ATOM 0 HB ILE A 5 12.352 -7.670 -8.877 1.00 12.53 H new ATOM 0 HG12 ILE A 5 12.584 -8.751 -6.064 1.00 62.43 H new ATOM 0 HG13 ILE A 5 11.097 -8.013 -6.624 1.00 62.43 H new ATOM 0 HG21 ILE A 5 14.262 -9.126 -8.334 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.782 -7.459 -8.677 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.706 -8.040 -6.996 1.00 31.52 H new ATOM 0 HD11 ILE A 5 11.019 -10.444 -6.880 1.00 31.22 H new ATOM 0 HD12 ILE A 5 10.966 -9.647 -8.470 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.476 -10.396 -7.901 1.00 31.22 H new ATOM 70 N ARG A 6 14.686 -4.784 -7.776 1.00 34.14 N ATOM 71 CA ARG A 6 15.579 -3.931 -8.551 1.00 41.52 C ATOM 72 C ARG A 6 16.013 -4.625 -9.838 1.00 31.32 C ATOM 73 O ARG A 6 16.112 -5.851 -9.893 1.00 14.52 O ATOM 74 CB ARG A 6 16.809 -3.556 -7.721 1.00 30.43 C ATOM 75 CG ARG A 6 16.499 -2.631 -6.556 1.00 22.22 C ATOM 76 CD ARG A 6 16.186 -3.415 -5.290 1.00 30.33 C ATOM 77 NE ARG A 6 16.472 -2.643 -4.084 1.00 51.53 N ATOM 78 CZ ARG A 6 16.421 -3.151 -2.858 1.00 44.12 C ATOM 79 NH1 ARG A 6 16.097 -4.423 -2.677 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 16.695 -2.385 -1.810 1.00 11.21 N ATOM 0 H ARG A 6 14.986 -4.946 -6.815 1.00 34.14 H new ATOM 0 HA ARG A 6 15.036 -3.023 -8.814 1.00 41.52 H new ATOM 0 HB2 ARG A 6 17.270 -4.467 -7.338 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.542 -3.076 -8.370 1.00 30.43 H new ATOM 0 HG2 ARG A 6 17.349 -1.972 -6.377 1.00 22.22 H new ATOM 0 HG3 ARG A 6 15.651 -1.995 -6.810 1.00 22.22 H new ATOM 0 HD2 ARG A 6 15.135 -3.706 -5.294 1.00 30.33 H new ATOM 0 HD3 ARG A 6 16.771 -4.335 -5.279 1.00 30.33 H new ATOM 0 HE ARG A 6 16.725 -1.660 -4.189 1.00 51.53 H new ATOM 0 HH11 ARG A 6 15.886 -5.015 -3.480 1.00 51.33 H new ATOM 0 HH12 ARG A 6 16.059 -4.810 -1.734 1.00 51.33 H new ATOM 0 HH21 ARG A 6 16.945 -1.405 -1.946 1.00 11.21 H new ATOM 0 HH22 ARG A 6 16.656 -2.776 -0.869 1.00 11.21 H new ATOM 94 N LYS A 7 16.269 -3.832 -10.873 1.00 12.45 N ATOM 95 CA LYS A 7 16.694 -4.369 -12.162 1.00 74.33 C ATOM 96 C LYS A 7 18.090 -4.976 -12.065 1.00 3.13 C ATOM 97 O LYS A 7 18.920 -4.523 -11.277 1.00 45.21 O ATOM 98 CB LYS A 7 16.676 -3.269 -13.226 1.00 25.23 C ATOM 99 CG LYS A 7 16.797 -3.795 -14.646 1.00 71.33 C ATOM 100 CD LYS A 7 16.571 -2.695 -15.670 1.00 42.04 C ATOM 101 CE LYS A 7 17.711 -1.688 -15.665 1.00 22.14 C ATOM 102 NZ LYS A 7 18.721 -1.989 -16.717 1.00 43.20 N1+ ATOM 0 H LYS A 7 16.190 -2.815 -10.845 1.00 12.45 H new ATOM 0 HA LYS A 7 15.995 -5.155 -12.449 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.749 -2.702 -13.135 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.494 -2.575 -13.033 1.00 25.23 H new ATOM 0 HG2 LYS A 7 17.786 -4.230 -14.791 1.00 71.33 H new ATOM 0 HG3 LYS A 7 16.071 -4.593 -14.802 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.476 -3.134 -16.663 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.632 -2.185 -15.456 1.00 42.04 H new ATOM 0 HE2 LYS A 7 17.311 -0.686 -15.821 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.193 -1.690 -14.687 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 19.515 -1.322 -16.637 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 19.072 -2.960 -16.594 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 18.283 -1.896 -17.656 1.00 43.20 H new ATOM 116 N TRP A 8 18.341 -6.000 -12.872 1.00 12.14 N ATOM 117 CA TRP A 8 19.637 -6.668 -12.879 1.00 60.14 C ATOM 118 C TRP A 8 20.022 -7.123 -11.474 1.00 43.13 C ATOM 119 O TRP A 8 21.115 -6.824 -10.992 1.00 71.13 O ATOM 120 CB TRP A 8 20.712 -5.734 -13.437 1.00 3.43 C ATOM 121 CG TRP A 8 20.654 -5.588 -14.928 1.00 52.22 C ATOM 122 CD1 TRP A 8 20.228 -4.495 -15.627 1.00 3.11 C ATOM 123 CD2 TRP A 8 21.034 -6.567 -15.901 1.00 13.05 C ATOM 124 NE1 TRP A 8 20.319 -4.736 -16.977 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.812 -6.000 -17.171 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.541 -7.867 -15.823 1.00 2.53 C ATOM 127 CZ2 TRP A 8 21.079 -6.689 -18.350 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.806 -8.549 -16.995 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.576 -7.960 -18.245 1.00 64.05 C ATOM 0 H TRP A 8 17.664 -6.386 -13.530 1.00 12.14 H new ATOM 0 HA TRP A 8 19.561 -7.547 -13.519 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.604 -4.751 -12.978 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.694 -6.112 -13.154 1.00 3.43 H new ATOM 0 HD1 TRP A 8 19.872 -3.577 -15.184 1.00 3.11 H new ATOM 0 HE1 TRP A 8 20.061 -4.081 -17.715 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.722 -8.330 -14.864 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.900 -6.237 -19.314 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 22.198 -9.554 -16.947 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.795 -8.519 -19.143 1.00 64.05 H new ATOM 140 N LEU A 9 19.118 -7.848 -10.824 1.00 24.33 N ATOM 141 CA LEU A 9 19.363 -8.345 -9.475 1.00 13.42 C ATOM 142 C LEU A 9 19.155 -9.854 -9.404 1.00 32.14 C ATOM 143 O LEU A 9 20.103 -10.612 -9.196 1.00 32.51 O ATOM 144 CB LEU A 9 18.441 -7.644 -8.477 1.00 64.42 C ATOM 145 CG LEU A 9 18.584 -8.072 -7.015 1.00 13.01 C ATOM 146 CD1 LEU A 9 20.032 -7.958 -6.566 1.00 21.52 C ATOM 147 CD2 LEU A 9 17.680 -7.233 -6.123 1.00 2.10 C ATOM 0 H LEU A 9 18.209 -8.105 -11.209 1.00 24.33 H new ATOM 0 HA LEU A 9 20.400 -8.128 -9.217 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.620 -6.571 -8.540 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.409 -7.814 -8.785 1.00 64.42 H new ATOM 0 HG LEU A 9 18.279 -9.115 -6.930 1.00 13.01 H new ATOM 0 HD11 LEU A 9 20.115 -8.266 -5.524 1.00 21.52 H new ATOM 0 HD12 LEU A 9 20.657 -8.601 -7.186 1.00 21.52 H new ATOM 0 HD13 LEU A 9 20.364 -6.925 -6.666 1.00 21.52 H new ATOM 0 HD21 LEU A 9 17.795 -7.551 -5.087 1.00 2.10 H new ATOM 0 HD22 LEU A 9 17.955 -6.182 -6.212 1.00 2.10 H new ATOM 0 HD23 LEU A 9 16.642 -7.364 -6.430 1.00 2.10 H new ATOM 159 N SER A 10 17.911 -10.284 -9.580 1.00 45.25 N ATOM 160 CA SER A 10 17.578 -11.702 -9.535 1.00 64.14 C ATOM 161 C SER A 10 16.084 -11.918 -9.760 1.00 64.00 C ATOM 162 O SER A 10 15.250 -11.352 -9.052 1.00 53.42 O ATOM 163 CB SER A 10 17.996 -12.303 -8.192 1.00 54.12 C ATOM 164 OG SER A 10 18.754 -13.487 -8.375 1.00 65.41 O ATOM 0 H SER A 10 17.116 -9.670 -9.755 1.00 45.25 H new ATOM 0 HA SER A 10 18.123 -12.203 -10.335 1.00 64.14 H new ATOM 0 HB2 SER A 10 18.583 -11.575 -7.632 1.00 54.12 H new ATOM 0 HB3 SER A 10 17.110 -12.524 -7.597 1.00 54.12 H new ATOM 0 HG SER A 10 19.010 -13.850 -7.501 1.00 65.41 H new ATOM 170 N CYS A 11 15.753 -12.740 -10.749 1.00 71.34 N ATOM 171 CA CYS A 11 14.361 -13.032 -11.069 1.00 40.34 C ATOM 172 C CYS A 11 13.934 -14.368 -10.470 1.00 4.42 C ATOM 173 O CYS A 11 12.747 -14.694 -10.434 1.00 25.34 O ATOM 174 CB CYS A 11 14.158 -13.051 -12.585 1.00 32.52 C ATOM 175 SG CYS A 11 14.876 -14.507 -13.412 1.00 22.00 S ATOM 0 H CYS A 11 16.431 -13.217 -11.344 1.00 71.34 H new ATOM 0 HA CYS A 11 13.742 -12.246 -10.636 1.00 40.34 H new ATOM 0 HB2 CYS A 11 13.090 -13.015 -12.798 1.00 32.52 H new ATOM 0 HB3 CYS A 11 14.599 -12.150 -13.011 1.00 32.52 H new ATOM 180 N VAL A 12 14.909 -15.139 -10.000 1.00 1.33 N ATOM 181 CA VAL A 12 14.635 -16.440 -9.401 1.00 2.34 C ATOM 182 C VAL A 12 13.556 -16.335 -8.330 1.00 65.54 C ATOM 183 O VAL A 12 12.796 -17.278 -8.106 1.00 52.14 O ATOM 184 CB VAL A 12 15.905 -17.050 -8.776 1.00 70.43 C ATOM 185 CG1 VAL A 12 15.628 -18.456 -8.269 1.00 73.24 C ATOM 186 CG2 VAL A 12 17.045 -17.052 -9.784 1.00 54.01 C ATOM 0 H VAL A 12 15.897 -14.885 -10.022 1.00 1.33 H new ATOM 0 HA VAL A 12 14.286 -17.090 -10.203 1.00 2.34 H new ATOM 0 HB VAL A 12 16.203 -16.436 -7.926 1.00 70.43 H new ATOM 0 HG11 VAL A 12 16.536 -18.870 -7.831 1.00 73.24 H new ATOM 0 HG12 VAL A 12 14.843 -18.422 -7.513 1.00 73.24 H new ATOM 0 HG13 VAL A 12 15.305 -19.085 -9.099 1.00 73.24 H new ATOM 0 HG21 VAL A 12 17.934 -17.486 -9.327 1.00 54.01 H new ATOM 0 HG22 VAL A 12 16.760 -17.642 -10.655 1.00 54.01 H new ATOM 0 HG23 VAL A 12 17.259 -16.029 -10.094 1.00 54.01 H new ATOM 196 N ASP A 13 13.494 -15.183 -7.672 1.00 50.12 N ATOM 197 CA ASP A 13 12.506 -14.953 -6.624 1.00 21.44 C ATOM 198 C ASP A 13 11.443 -13.961 -7.087 1.00 13.52 C ATOM 199 O ASP A 13 11.729 -12.780 -7.286 1.00 20.24 O ATOM 200 CB ASP A 13 13.186 -14.437 -5.356 1.00 4.14 C ATOM 201 CG ASP A 13 14.298 -13.450 -5.655 1.00 12.14 C ATOM 202 OD1 ASP A 13 13.990 -12.263 -5.887 1.00 63.11 O ATOM 203 OD2 ASP A 13 15.475 -13.867 -5.660 1.00 51.22 O1- ATOM 0 H ASP A 13 14.116 -14.394 -7.846 1.00 50.12 H new ATOM 0 HA ASP A 13 12.019 -15.903 -6.404 1.00 21.44 H new ATOM 0 HB2 ASP A 13 12.443 -13.960 -4.717 1.00 4.14 H new ATOM 0 HB3 ASP A 13 13.593 -15.280 -4.797 1.00 4.14 H new ATOM 208 N ARG A 14 10.219 -14.449 -7.257 1.00 34.15 N ATOM 209 CA ARG A 14 9.115 -13.605 -7.698 1.00 11.34 C ATOM 210 C ARG A 14 9.373 -13.061 -9.100 1.00 1.34 C ATOM 211 O ARG A 14 9.324 -11.852 -9.328 1.00 5.14 O ATOM 212 CB ARG A 14 8.907 -12.447 -6.720 1.00 44.02 C ATOM 213 CG ARG A 14 8.928 -12.871 -5.261 1.00 11.43 C ATOM 214 CD ARG A 14 8.864 -11.670 -4.331 1.00 33.34 C ATOM 215 NE ARG A 14 7.514 -11.441 -3.824 1.00 31.23 N ATOM 216 CZ ARG A 14 7.135 -10.320 -3.221 1.00 33.30 C ATOM 217 NH1 ARG A 14 8.000 -9.330 -3.052 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 5.888 -10.187 -2.787 1.00 13.11 N ATOM 0 H ARG A 14 9.967 -15.424 -7.096 1.00 34.15 H new ATOM 0 HA ARG A 14 8.212 -14.215 -7.724 1.00 11.34 H new ATOM 0 HB2 ARG A 14 9.684 -11.700 -6.884 1.00 44.02 H new ATOM 0 HB3 ARG A 14 7.953 -11.967 -6.936 1.00 44.02 H new ATOM 0 HG2 ARG A 14 8.085 -13.533 -5.061 1.00 11.43 H new ATOM 0 HG3 ARG A 14 9.835 -13.441 -5.060 1.00 11.43 H new ATOM 0 HD2 ARG A 14 9.544 -11.824 -3.493 1.00 33.34 H new ATOM 0 HD3 ARG A 14 9.207 -10.782 -4.862 1.00 33.34 H new ATOM 0 HE ARG A 14 6.824 -12.183 -3.939 1.00 31.23 H new ATOM 0 HH11 ARG A 14 8.959 -9.428 -3.385 1.00 64.12 H new ATOM 0 HH12 ARG A 14 7.707 -8.470 -2.589 1.00 64.12 H new ATOM 0 HH21 ARG A 14 5.219 -10.946 -2.916 1.00 13.11 H new ATOM 0 HH22 ARG A 14 5.598 -9.326 -2.324 1.00 13.11 H new ATOM 232 N LYS A 15 9.650 -13.961 -10.037 1.00 52.10 N ATOM 233 CA LYS A 15 9.916 -13.574 -11.417 1.00 21.15 C ATOM 234 C LYS A 15 8.737 -12.803 -12.002 1.00 23.41 C ATOM 235 O LYS A 15 8.903 -11.998 -12.918 1.00 3.31 O ATOM 236 CB LYS A 15 10.204 -14.812 -12.270 1.00 22.05 C ATOM 237 CG LYS A 15 9.037 -15.778 -12.353 1.00 60.24 C ATOM 238 CD LYS A 15 8.171 -15.504 -13.571 1.00 23.34 C ATOM 239 CE LYS A 15 7.461 -16.763 -14.046 1.00 43.34 C ATOM 240 NZ LYS A 15 6.426 -17.215 -13.076 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.696 -14.965 -9.865 1.00 52.10 H new ATOM 0 HA LYS A 15 10.792 -12.925 -11.424 1.00 21.15 H new ATOM 0 HB2 LYS A 15 10.474 -14.494 -13.277 1.00 22.05 H new ATOM 0 HB3 LYS A 15 11.068 -15.334 -11.858 1.00 22.05 H new ATOM 0 HG2 LYS A 15 9.412 -16.800 -12.395 1.00 60.24 H new ATOM 0 HG3 LYS A 15 8.432 -15.697 -11.450 1.00 60.24 H new ATOM 0 HD2 LYS A 15 7.434 -14.739 -13.329 1.00 23.34 H new ATOM 0 HD3 LYS A 15 8.789 -15.108 -14.377 1.00 23.34 H new ATOM 0 HE2 LYS A 15 6.995 -16.574 -15.013 1.00 43.34 H new ATOM 0 HE3 LYS A 15 8.192 -17.558 -14.194 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 5.965 -18.075 -13.436 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 6.874 -17.420 -12.160 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 5.715 -16.466 -12.954 1.00 34.55 H new ATOM 254 N ASN A 16 7.546 -13.056 -11.467 1.00 74.22 N ATOM 255 CA ASN A 16 6.340 -12.384 -11.938 1.00 2.32 C ATOM 256 C ASN A 16 6.252 -10.968 -11.377 1.00 61.22 C ATOM 257 O ASN A 16 5.691 -10.073 -12.009 1.00 13.45 O ATOM 258 CB ASN A 16 5.098 -13.182 -11.534 1.00 35.24 C ATOM 259 CG ASN A 16 3.871 -12.784 -12.332 1.00 64.51 C ATOM 260 OD1 ASN A 16 3.968 -12.442 -13.511 1.00 50.32 O ATOM 261 ND2 ASN A 16 2.710 -12.827 -11.691 1.00 31.22 N ATOM 0 H ASN A 16 7.391 -13.720 -10.709 1.00 74.22 H new ATOM 0 HA ASN A 16 6.388 -12.323 -13.025 1.00 2.32 H new ATOM 0 HB2 ASN A 16 5.291 -14.245 -11.675 1.00 35.24 H new ATOM 0 HB3 ASN A 16 4.902 -13.032 -10.472 1.00 35.24 H new ATOM 0 HD21 ASN A 16 1.850 -12.570 -12.176 1.00 31.22 H new ATOM 0 HD22 ASN A 16 2.678 -13.117 -10.714 1.00 31.22 H new ATOM 268 N ASP A 17 6.812 -10.773 -10.188 1.00 63.14 N ATOM 269 CA ASP A 17 6.798 -9.466 -9.541 1.00 4.05 C ATOM 270 C ASP A 17 8.156 -8.783 -9.669 1.00 14.43 C ATOM 271 O ASP A 17 8.576 -8.043 -8.779 1.00 10.22 O ATOM 272 CB ASP A 17 6.419 -9.605 -8.066 1.00 62.44 C ATOM 273 CG ASP A 17 4.996 -10.092 -7.879 1.00 12.13 C ATOM 274 OD1 ASP A 17 4.062 -9.371 -8.291 1.00 23.40 O1- ATOM 275 OD2 ASP A 17 4.814 -11.194 -7.319 1.00 64.23 O ATOM 0 H ASP A 17 7.281 -11.503 -9.653 1.00 63.14 H new ATOM 0 HA ASP A 17 6.052 -8.849 -10.041 1.00 4.05 H new ATOM 0 HB2 ASP A 17 7.105 -10.300 -7.581 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.539 -8.642 -7.570 1.00 62.44 H new ATOM 280 N CYS A 18 8.839 -9.038 -10.779 1.00 22.14 N ATOM 281 CA CYS A 18 10.152 -8.450 -11.023 1.00 12.03 C ATOM 282 C CYS A 18 10.105 -6.933 -10.866 1.00 12.24 C ATOM 283 O CYS A 18 10.658 -6.378 -9.916 1.00 15.22 O ATOM 284 CB CYS A 18 10.644 -8.815 -12.424 1.00 65.22 C ATOM 285 SG CYS A 18 11.713 -10.289 -12.477 1.00 64.10 S ATOM 0 H CYS A 18 8.506 -9.648 -11.525 1.00 22.14 H new ATOM 0 HA CYS A 18 10.847 -8.852 -10.286 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.781 -8.982 -13.068 1.00 65.22 H new ATOM 0 HB3 CYS A 18 11.191 -7.968 -12.837 1.00 65.22 H new ATOM 290 N CYS A 19 9.441 -6.266 -11.805 1.00 52.34 N ATOM 291 CA CYS A 19 9.322 -4.814 -11.774 1.00 50.21 C ATOM 292 C CYS A 19 8.499 -4.310 -12.956 1.00 44.05 C ATOM 293 O CYS A 19 7.904 -5.098 -13.691 1.00 61.25 O ATOM 294 CB CYS A 19 10.708 -4.167 -11.790 1.00 45.44 C ATOM 295 SG CYS A 19 11.024 -3.052 -10.384 1.00 3.21 S ATOM 0 H CYS A 19 8.977 -6.710 -12.598 1.00 52.34 H new ATOM 0 HA CYS A 19 8.810 -4.536 -10.853 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.464 -4.952 -11.794 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.825 -3.607 -12.718 1.00 45.44 H new ATOM 300 N GLU A 20 8.472 -2.993 -13.132 1.00 0.41 N ATOM 301 CA GLU A 20 7.722 -2.384 -14.225 1.00 21.12 C ATOM 302 C GLU A 20 8.539 -2.385 -15.513 1.00 12.24 C ATOM 303 O GLU A 20 9.558 -1.703 -15.614 1.00 33.41 O ATOM 304 CB GLU A 20 7.321 -0.952 -13.862 1.00 34.22 C ATOM 305 CG GLU A 20 6.516 -0.253 -14.944 1.00 61.45 C ATOM 306 CD GLU A 20 5.684 0.893 -14.404 1.00 22.34 C ATOM 307 OE1 GLU A 20 6.053 1.449 -13.349 1.00 41.52 O ATOM 308 OE2 GLU A 20 4.663 1.234 -15.037 1.00 2.13 O1- ATOM 0 H GLU A 20 8.960 -2.327 -12.533 1.00 0.41 H new ATOM 0 HA GLU A 20 6.821 -2.976 -14.387 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.738 -0.969 -12.941 1.00 34.22 H new ATOM 0 HB3 GLU A 20 8.221 -0.372 -13.659 1.00 34.22 H new ATOM 0 HG2 GLU A 20 7.194 0.125 -15.709 1.00 61.45 H new ATOM 0 HG3 GLU A 20 5.860 -0.977 -15.428 1.00 61.45 H new ATOM 315 N GLY A 21 8.086 -3.157 -16.494 1.00 40.44 N ATOM 316 CA GLY A 21 8.787 -3.233 -17.763 1.00 52.55 C ATOM 317 C GLY A 21 9.996 -4.145 -17.703 1.00 53.30 C ATOM 318 O GLY A 21 10.987 -3.921 -18.401 1.00 0.22 O ATOM 0 H GLY A 21 7.246 -3.732 -16.434 1.00 40.44 H new ATOM 0 HA2 GLY A 21 8.103 -3.592 -18.532 1.00 52.55 H new ATOM 0 HA3 GLY A 21 9.104 -2.233 -18.060 1.00 52.55 H new ATOM 322 N LEU A 22 9.919 -5.174 -16.866 1.00 13.10 N ATOM 323 CA LEU A 22 11.017 -6.122 -16.716 1.00 41.51 C ATOM 324 C LEU A 22 10.518 -7.558 -16.846 1.00 64.04 C ATOM 325 O LEU A 22 9.355 -7.848 -16.572 1.00 31.15 O ATOM 326 CB LEU A 22 11.702 -5.929 -15.362 1.00 20.40 C ATOM 327 CG LEU A 22 12.395 -4.583 -15.146 1.00 3.03 C ATOM 328 CD1 LEU A 22 13.144 -4.574 -13.822 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.341 -4.280 -16.299 1.00 73.44 C ATOM 0 H LEU A 22 9.107 -5.373 -16.281 1.00 13.10 H new ATOM 0 HA LEU A 22 11.738 -5.934 -17.511 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.956 -6.061 -14.578 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.441 -6.720 -15.235 1.00 20.40 H new ATOM 0 HG LEU A 22 11.633 -3.804 -15.113 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.631 -3.608 -13.686 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.442 -4.745 -13.006 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.897 -5.362 -13.824 1.00 13.13 H new ATOM 0 HD21 LEU A 22 13.826 -3.319 -16.129 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.098 -5.062 -16.364 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.778 -4.243 -17.231 1.00 73.44 H new ATOM 341 N GLU A 23 11.408 -8.453 -17.264 1.00 73.11 N ATOM 342 CA GLU A 23 11.059 -9.858 -17.429 1.00 72.50 C ATOM 343 C GLU A 23 12.248 -10.757 -17.104 1.00 73.15 C ATOM 344 O GLU A 23 13.400 -10.324 -17.154 1.00 53.25 O ATOM 345 CB GLU A 23 10.580 -10.123 -18.858 1.00 42.13 C ATOM 346 CG GLU A 23 11.698 -10.112 -19.886 1.00 54.44 C ATOM 347 CD GLU A 23 11.207 -10.423 -21.287 1.00 41.24 C ATOM 348 OE1 GLU A 23 10.443 -11.399 -21.444 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 11.585 -9.692 -22.226 1.00 62.21 O ATOM 0 H GLU A 23 12.376 -8.229 -17.494 1.00 73.11 H new ATOM 0 HA GLU A 23 10.252 -10.089 -16.734 1.00 72.50 H new ATOM 0 HB2 GLU A 23 10.077 -11.090 -18.890 1.00 42.13 H new ATOM 0 HB3 GLU A 23 9.840 -9.370 -19.130 1.00 42.13 H new ATOM 0 HG2 GLU A 23 12.180 -9.134 -19.883 1.00 54.44 H new ATOM 0 HG3 GLU A 23 12.456 -10.842 -19.601 1.00 54.44 H new ATOM 356 N CYS A 24 11.961 -12.011 -16.771 1.00 3.15 N ATOM 357 CA CYS A 24 13.004 -12.972 -16.437 1.00 43.32 C ATOM 358 C CYS A 24 13.842 -13.315 -17.666 1.00 13.33 C ATOM 359 O CYS A 24 13.313 -13.462 -18.768 1.00 71.04 O ATOM 360 CB CYS A 24 12.387 -14.245 -15.855 1.00 63.05 C ATOM 361 SG CYS A 24 13.476 -15.138 -14.699 1.00 51.21 S ATOM 0 H CYS A 24 11.013 -12.385 -16.725 1.00 3.15 H new ATOM 0 HA CYS A 24 13.655 -12.518 -15.690 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.463 -13.985 -15.339 1.00 63.05 H new ATOM 0 HB3 CYS A 24 12.118 -14.913 -16.674 1.00 63.05 H new ATOM 366 N TYR A 25 15.149 -13.442 -17.467 1.00 42.15 N ATOM 367 CA TYR A 25 16.060 -13.766 -18.559 1.00 43.13 C ATOM 368 C TYR A 25 16.556 -15.204 -18.445 1.00 24.34 C ATOM 369 O TYR A 25 16.390 -15.852 -17.412 1.00 2.23 O ATOM 370 CB TYR A 25 17.249 -12.803 -18.561 1.00 24.23 C ATOM 371 CG TYR A 25 17.942 -12.701 -19.902 1.00 72.44 C ATOM 372 CD1 TYR A 25 17.255 -12.277 -21.032 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.286 -13.029 -20.036 1.00 73.43 C ATOM 374 CE1 TYR A 25 17.885 -12.184 -22.257 1.00 40.22 C ATOM 375 CE2 TYR A 25 19.925 -12.937 -21.258 1.00 20.10 C ATOM 376 CZ TYR A 25 19.220 -12.515 -22.365 1.00 72.10 C ATOM 377 OH TYR A 25 19.851 -12.421 -23.585 1.00 42.01 O ATOM 0 H TYR A 25 15.602 -13.326 -16.560 1.00 42.15 H new ATOM 0 HA TYR A 25 15.515 -13.662 -19.497 1.00 43.13 H new ATOM 0 HB2 TYR A 25 16.905 -11.813 -18.263 1.00 24.23 H new ATOM 0 HB3 TYR A 25 17.971 -13.128 -17.812 1.00 24.23 H new ATOM 0 HD1 TYR A 25 16.210 -12.016 -20.951 1.00 1.13 H new ATOM 0 HD2 TYR A 25 19.840 -13.361 -19.171 1.00 73.43 H new ATOM 0 HE1 TYR A 25 17.336 -11.854 -23.126 1.00 40.22 H new ATOM 0 HE2 TYR A 25 20.970 -13.194 -21.345 1.00 20.10 H new ATOM 0 HH TYR A 25 20.789 -12.689 -23.490 1.00 42.01 H new ATOM 387 N LYS A 26 17.168 -15.697 -19.517 1.00 24.35 N ATOM 388 CA LYS A 26 17.692 -17.058 -19.540 1.00 34.53 C ATOM 389 C LYS A 26 19.217 -17.054 -19.585 1.00 64.11 C ATOM 390 O LYS A 26 19.819 -16.439 -20.466 1.00 12.35 O ATOM 391 CB LYS A 26 17.138 -17.819 -20.746 1.00 44.31 C ATOM 392 CG LYS A 26 17.266 -19.328 -20.625 1.00 35.50 C ATOM 393 CD LYS A 26 16.283 -19.890 -19.611 1.00 15.23 C ATOM 394 CE LYS A 26 14.912 -20.115 -20.228 1.00 24.30 C ATOM 395 NZ LYS A 26 14.937 -21.191 -21.258 1.00 45.14 N1+ ATOM 0 H LYS A 26 17.313 -15.175 -20.381 1.00 24.35 H new ATOM 0 HA LYS A 26 17.375 -17.558 -18.625 1.00 34.53 H new ATOM 0 HB2 LYS A 26 16.087 -17.561 -20.876 1.00 44.31 H new ATOM 0 HB3 LYS A 26 17.660 -17.489 -21.644 1.00 44.31 H new ATOM 0 HG2 LYS A 26 17.091 -19.788 -21.597 1.00 35.50 H new ATOM 0 HG3 LYS A 26 18.283 -19.586 -20.329 1.00 35.50 H new ATOM 0 HD2 LYS A 26 16.664 -20.832 -19.217 1.00 15.23 H new ATOM 0 HD3 LYS A 26 16.196 -19.204 -18.769 1.00 15.23 H new ATOM 0 HE2 LYS A 26 14.200 -20.378 -19.445 1.00 24.30 H new ATOM 0 HE3 LYS A 26 14.561 -19.188 -20.680 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 13.985 -21.596 -21.360 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 15.244 -20.793 -22.169 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 15.600 -21.937 -20.965 1.00 45.14 H new ATOM 409 N ARG A 27 19.835 -17.742 -18.632 1.00 13.42 N ATOM 410 CA ARG A 27 21.289 -17.817 -18.563 1.00 2.22 C ATOM 411 C ARG A 27 21.761 -19.268 -18.604 1.00 13.11 C ATOM 412 O ARG A 27 20.951 -20.193 -18.660 1.00 42.10 O ATOM 413 CB ARG A 27 21.796 -17.141 -17.288 1.00 75.21 C ATOM 414 CG ARG A 27 22.108 -15.664 -17.465 1.00 55.10 C ATOM 415 CD ARG A 27 23.408 -15.456 -18.227 1.00 52.24 C ATOM 416 NE ARG A 27 23.187 -15.355 -19.667 1.00 31.33 N ATOM 417 CZ ARG A 27 24.158 -15.451 -20.569 1.00 45.33 C ATOM 418 NH1 ARG A 27 25.411 -15.648 -20.179 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 23.878 -15.348 -21.861 1.00 63.22 N ATOM 0 H ARG A 27 19.351 -18.256 -17.896 1.00 13.42 H new ATOM 0 HA ARG A 27 21.696 -17.295 -19.429 1.00 2.22 H new ATOM 0 HB2 ARG A 27 21.047 -17.254 -16.504 1.00 75.21 H new ATOM 0 HB3 ARG A 27 22.694 -17.655 -16.947 1.00 75.21 H new ATOM 0 HG2 ARG A 27 21.290 -15.180 -17.999 1.00 55.10 H new ATOM 0 HG3 ARG A 27 22.177 -15.186 -16.488 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.896 -14.549 -17.871 1.00 52.24 H new ATOM 0 HD3 ARG A 27 24.086 -16.285 -18.021 1.00 52.24 H new ATOM 0 HE ARG A 27 22.235 -15.202 -19.999 1.00 31.33 H new ATOM 0 HH11 ARG A 27 25.630 -15.726 -19.186 1.00 21.44 H new ATOM 0 HH12 ARG A 27 26.155 -15.722 -20.872 1.00 21.44 H new ATOM 0 HH21 ARG A 27 22.916 -15.195 -22.164 1.00 63.22 H new ATOM 0 HH22 ARG A 27 24.625 -15.422 -22.552 1.00 63.22 H new ATOM 433 N ARG A 28 23.076 -19.458 -18.578 1.00 43.11 N ATOM 434 CA ARG A 28 23.656 -20.795 -18.615 1.00 2.52 C ATOM 435 C ARG A 28 24.099 -21.234 -17.222 1.00 22.11 C ATOM 436 O ARG A 28 23.531 -22.160 -16.642 1.00 62.24 O ATOM 437 CB ARG A 28 24.846 -20.832 -19.575 1.00 42.41 C ATOM 438 CG ARG A 28 24.462 -21.157 -21.010 1.00 2.52 C ATOM 439 CD ARG A 28 25.620 -21.790 -21.766 1.00 0.40 C ATOM 440 NE ARG A 28 25.239 -22.186 -23.119 1.00 0.25 N ATOM 441 CZ ARG A 28 24.485 -23.245 -23.389 1.00 3.54 C ATOM 442 NH1 ARG A 28 24.034 -24.011 -22.405 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 24.180 -23.540 -24.647 1.00 73.13 N ATOM 0 H ARG A 28 23.760 -18.703 -18.531 1.00 43.11 H new ATOM 0 HA ARG A 28 22.891 -21.486 -18.969 1.00 2.52 H new ATOM 0 HB2 ARG A 28 25.350 -19.866 -19.553 1.00 42.41 H new ATOM 0 HB3 ARG A 28 25.563 -21.574 -19.223 1.00 42.41 H new ATOM 0 HG2 ARG A 28 23.609 -21.835 -21.015 1.00 2.52 H new ATOM 0 HG3 ARG A 28 24.148 -20.246 -21.519 1.00 2.52 H new ATOM 0 HD2 ARG A 28 26.450 -21.085 -21.815 1.00 0.40 H new ATOM 0 HD3 ARG A 28 25.976 -22.663 -21.219 1.00 0.40 H new ATOM 0 HE ARG A 28 25.570 -21.618 -23.899 1.00 0.25 H new ATOM 0 HH11 ARG A 28 24.266 -23.787 -21.437 1.00 52.00 H new ATOM 0 HH12 ARG A 28 23.455 -24.824 -22.616 1.00 52.00 H new ATOM 0 HH21 ARG A 28 24.525 -22.953 -25.407 1.00 73.13 H new ATOM 0 HH22 ARG A 28 23.601 -24.354 -24.854 1.00 73.13 H new ATOM 457 N HIS A 29 25.116 -20.562 -16.691 1.00 34.43 N ATOM 458 CA HIS A 29 25.634 -20.883 -15.366 1.00 5.34 C ATOM 459 C HIS A 29 25.316 -19.769 -14.373 1.00 60.13 C ATOM 460 O HIS A 29 24.833 -20.026 -13.271 1.00 45.11 O ATOM 461 CB HIS A 29 27.145 -21.111 -15.428 1.00 0.11 C ATOM 462 CG HIS A 29 27.531 -22.401 -16.084 1.00 24.13 C ATOM 463 ND1 HIS A 29 28.552 -22.502 -17.004 1.00 73.30 N ATOM 464 CD2 HIS A 29 27.025 -23.649 -15.946 1.00 14.44 C ATOM 465 CE1 HIS A 29 28.658 -23.756 -17.405 1.00 50.01 C ATOM 466 NE2 HIS A 29 27.743 -24.473 -16.778 1.00 1.05 N ATOM 0 H HIS A 29 25.597 -19.793 -17.157 1.00 34.43 H new ATOM 0 HA HIS A 29 25.149 -21.798 -15.025 1.00 5.34 H new ATOM 0 HB2 HIS A 29 27.607 -20.285 -15.970 1.00 0.11 H new ATOM 0 HB3 HIS A 29 27.548 -21.093 -14.416 1.00 0.11 H new ATOM 0 HD2 HIS A 29 26.209 -23.942 -15.302 1.00 14.44 H new ATOM 0 HE1 HIS A 29 29.372 -24.131 -18.124 1.00 50.01 H new ATOM 0 HE2 HIS A 29 27.594 -25.475 -16.893 1.00 1.05 H new ATOM 474 N SER A 30 25.590 -18.531 -14.773 1.00 51.21 N ATOM 475 CA SER A 30 25.337 -17.378 -13.917 1.00 2.20 C ATOM 476 C SER A 30 23.843 -17.219 -13.647 1.00 21.10 C ATOM 477 O SER A 30 23.024 -17.301 -14.562 1.00 1.23 O ATOM 478 CB SER A 30 25.888 -16.106 -14.563 1.00 61.21 C ATOM 479 OG SER A 30 27.287 -15.998 -14.365 1.00 2.24 O ATOM 0 H SER A 30 25.987 -18.301 -15.684 1.00 51.21 H new ATOM 0 HA SER A 30 25.845 -17.544 -12.967 1.00 2.20 H new ATOM 0 HB2 SER A 30 25.668 -16.112 -15.631 1.00 61.21 H new ATOM 0 HB3 SER A 30 25.389 -15.234 -14.140 1.00 61.21 H new ATOM 0 HG SER A 30 27.615 -15.178 -14.789 1.00 2.24 H new ATOM 485 N PHE A 31 23.498 -16.992 -12.383 1.00 74.44 N ATOM 486 CA PHE A 31 22.104 -16.823 -11.991 1.00 15.34 C ATOM 487 C PHE A 31 21.421 -15.768 -12.855 1.00 41.21 C ATOM 488 O PHE A 31 21.884 -14.631 -12.947 1.00 41.32 O ATOM 489 CB PHE A 31 22.011 -16.430 -10.516 1.00 25.20 C ATOM 490 CG PHE A 31 22.678 -15.119 -10.202 1.00 42.32 C ATOM 491 CD1 PHE A 31 24.046 -15.056 -9.991 1.00 55.24 C ATOM 492 CD2 PHE A 31 21.935 -13.952 -10.119 1.00 32.25 C ATOM 493 CE1 PHE A 31 24.661 -13.853 -9.702 1.00 41.41 C ATOM 494 CE2 PHE A 31 22.546 -12.747 -9.832 1.00 32.13 C ATOM 495 CZ PHE A 31 23.910 -12.696 -9.622 1.00 42.13 C ATOM 0 H PHE A 31 24.164 -16.921 -11.614 1.00 74.44 H new ATOM 0 HA PHE A 31 21.593 -17.774 -12.138 1.00 15.34 H new ATOM 0 HB2 PHE A 31 20.961 -16.373 -10.229 1.00 25.20 H new ATOM 0 HB3 PHE A 31 22.465 -17.214 -9.910 1.00 25.20 H new ATOM 0 HD1 PHE A 31 24.638 -15.957 -10.053 1.00 55.24 H new ATOM 0 HD2 PHE A 31 20.868 -13.985 -10.280 1.00 32.25 H new ATOM 0 HE1 PHE A 31 25.728 -13.817 -9.539 1.00 41.41 H new ATOM 0 HE2 PHE A 31 21.957 -11.844 -9.772 1.00 32.13 H new ATOM 0 HZ PHE A 31 24.388 -11.754 -9.396 1.00 42.13 H new ATOM 505 N GLU A 32 20.315 -16.152 -13.486 1.00 14.44 N ATOM 506 CA GLU A 32 19.568 -15.240 -14.343 1.00 22.14 C ATOM 507 C GLU A 32 18.866 -14.167 -13.516 1.00 51.44 C ATOM 508 O GLU A 32 18.409 -14.427 -12.402 1.00 63.24 O ATOM 509 CB GLU A 32 18.541 -16.011 -15.174 1.00 52.23 C ATOM 510 CG GLU A 32 17.591 -16.853 -14.340 1.00 22.11 C ATOM 511 CD GLU A 32 16.556 -17.573 -15.182 1.00 4.05 C ATOM 512 OE1 GLU A 32 16.928 -18.113 -16.245 1.00 42.42 O ATOM 513 OE2 GLU A 32 15.374 -17.595 -14.780 1.00 23.41 O1- ATOM 0 H GLU A 32 19.917 -17.089 -13.419 1.00 14.44 H new ATOM 0 HA GLU A 32 20.276 -14.752 -15.014 1.00 22.14 H new ATOM 0 HB2 GLU A 32 17.961 -15.304 -15.767 1.00 52.23 H new ATOM 0 HB3 GLU A 32 19.067 -16.659 -15.876 1.00 52.23 H new ATOM 0 HG2 GLU A 32 18.164 -17.585 -13.772 1.00 22.11 H new ATOM 0 HG3 GLU A 32 17.085 -16.214 -13.617 1.00 22.11 H new ATOM 520 N VAL A 33 18.786 -12.961 -14.067 1.00 62.34 N ATOM 521 CA VAL A 33 18.140 -11.848 -13.381 1.00 22.01 C ATOM 522 C VAL A 33 17.152 -11.135 -14.298 1.00 53.22 C ATOM 523 O VAL A 33 17.055 -11.447 -15.485 1.00 65.03 O ATOM 524 CB VAL A 33 19.174 -10.828 -12.868 1.00 32.31 C ATOM 525 CG1 VAL A 33 20.244 -11.524 -12.038 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.798 -10.071 -14.030 1.00 64.44 C ATOM 0 H VAL A 33 19.161 -12.729 -14.987 1.00 62.34 H new ATOM 0 HA VAL A 33 17.603 -12.270 -12.531 1.00 22.01 H new ATOM 0 HB VAL A 33 18.662 -10.108 -12.229 1.00 32.31 H new ATOM 0 HG11 VAL A 33 20.966 -10.788 -11.684 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.779 -12.016 -11.184 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.754 -12.267 -12.651 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.526 -9.355 -13.649 1.00 64.44 H new ATOM 0 HG22 VAL A 33 20.296 -10.775 -14.697 1.00 64.44 H new ATOM 0 HG23 VAL A 33 19.020 -9.540 -14.578 1.00 64.44 H new ATOM 536 N CYS A 34 16.421 -10.176 -13.740 1.00 44.23 N ATOM 537 CA CYS A 34 15.440 -9.418 -14.507 1.00 2.34 C ATOM 538 C CYS A 34 16.127 -8.511 -15.523 1.00 74.42 C ATOM 539 O CYS A 34 17.212 -7.988 -15.272 1.00 63.45 O ATOM 540 CB CYS A 34 14.565 -8.582 -13.571 1.00 12.11 C ATOM 541 SG CYS A 34 13.631 -9.563 -12.352 1.00 33.54 S ATOM 0 H CYS A 34 16.490 -9.905 -12.759 1.00 44.23 H new ATOM 0 HA CYS A 34 14.811 -10.127 -15.045 1.00 2.34 H new ATOM 0 HB2 CYS A 34 15.197 -7.869 -13.041 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.863 -8.002 -14.169 1.00 12.11 H new ATOM 546 N VAL A 35 15.486 -8.330 -16.674 1.00 52.22 N ATOM 547 CA VAL A 35 16.034 -7.486 -17.729 1.00 73.22 C ATOM 548 C VAL A 35 14.949 -6.622 -18.362 1.00 34.14 C ATOM 549 O VAL A 35 13.762 -6.946 -18.323 1.00 74.20 O ATOM 550 CB VAL A 35 16.711 -8.327 -18.828 1.00 22.11 C ATOM 551 CG1 VAL A 35 18.083 -8.798 -18.372 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.832 -9.510 -19.209 1.00 13.23 C ATOM 0 H VAL A 35 14.587 -8.757 -16.899 1.00 52.22 H new ATOM 0 HA VAL A 35 16.781 -6.843 -17.263 1.00 73.22 H new ATOM 0 HB VAL A 35 16.844 -7.701 -19.711 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.545 -9.390 -19.162 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.710 -7.934 -18.152 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.979 -9.408 -17.475 1.00 55.34 H new ATOM 0 HG21 VAL A 35 16.325 -10.094 -19.986 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.667 -10.138 -18.333 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.874 -9.147 -19.580 1.00 13.23 H new ATOM 562 N PRO A 36 15.363 -5.496 -18.960 1.00 14.42 N ATOM 563 CA PRO A 36 14.441 -4.562 -19.614 1.00 15.12 C ATOM 564 C PRO A 36 13.844 -5.138 -20.893 1.00 33.54 C ATOM 565 O PRO A 36 14.569 -5.564 -21.792 1.00 61.25 O ATOM 566 CB PRO A 36 15.327 -3.355 -19.935 1.00 24.35 C ATOM 567 CG PRO A 36 16.706 -3.912 -20.030 1.00 33.43 C ATOM 568 CD PRO A 36 16.763 -5.046 -19.046 1.00 44.32 C ATOM 0 HA PRO A 36 13.585 -4.324 -18.982 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.026 -2.881 -20.869 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.259 -2.596 -19.156 1.00 24.35 H new ATOM 0 HG2 PRO A 36 16.917 -4.261 -21.041 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.451 -3.152 -19.793 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.421 -5.844 -19.391 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.140 -4.718 -18.077 1.00 44.32 H new ATOM 576 N ILE A 37 12.517 -5.147 -20.968 1.00 43.04 N ATOM 577 CA ILE A 37 11.822 -5.670 -22.138 1.00 30.13 C ATOM 578 C ILE A 37 11.930 -4.708 -23.316 1.00 62.14 C ATOM 579 O ILE A 37 11.700 -3.505 -23.191 1.00 13.55 O ATOM 580 CB ILE A 37 10.334 -5.932 -21.838 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.192 -6.945 -20.700 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.623 -6.429 -23.088 1.00 52.54 C ATOM 583 CD1 ILE A 37 8.995 -6.690 -19.811 1.00 30.21 C ATOM 0 H ILE A 37 11.902 -4.798 -20.233 1.00 43.04 H new ATOM 0 HA ILE A 37 12.304 -6.613 -22.397 1.00 30.13 H new ATOM 0 HB ILE A 37 9.870 -4.996 -21.526 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.113 -7.946 -21.123 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.097 -6.926 -20.092 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.572 -6.610 -22.861 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.700 -5.677 -23.874 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.086 -7.356 -23.426 1.00 52.54 H new ATOM 0 HD11 ILE A 37 8.957 -7.446 -19.027 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.081 -5.702 -19.359 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.083 -6.738 -20.406 1.00 30.21 H new ATOM 595 N PRO A 38 12.287 -5.249 -24.491 1.00 44.01 N ATOM 596 CA PRO A 38 12.430 -4.457 -25.716 1.00 45.20 C ATOM 597 C PRO A 38 11.090 -3.954 -26.242 1.00 54.33 C ATOM 598 O PRO A 38 10.128 -4.714 -26.345 1.00 60.25 O ATOM 599 CB PRO A 38 13.058 -5.443 -26.704 1.00 73.53 C ATOM 600 CG PRO A 38 12.645 -6.787 -26.212 1.00 4.32 C ATOM 601 CD PRO A 38 12.575 -6.675 -24.714 1.00 74.43 C ATOM 0 HA PRO A 38 13.025 -3.558 -25.553 1.00 45.20 H new ATOM 0 HB2 PRO A 38 12.703 -5.267 -27.719 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.143 -5.345 -26.725 1.00 73.53 H new ATOM 0 HG2 PRO A 38 11.679 -7.075 -26.628 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.362 -7.550 -26.513 1.00 4.32 H new ATOM 0 HD2 PRO A 38 11.794 -7.312 -24.300 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.512 -6.974 -24.245 1.00 74.43 H new ATOM 609 N GLY A 39 11.035 -2.669 -26.576 1.00 4.32 N ATOM 610 CA GLY A 39 9.808 -2.087 -27.088 1.00 65.10 C ATOM 611 C GLY A 39 8.783 -1.844 -26.000 1.00 13.00 C ATOM 612 O GLY A 39 7.661 -1.417 -26.276 1.00 24.44 O ATOM 0 H GLY A 39 11.818 -2.020 -26.501 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.037 -1.144 -27.584 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.383 -2.749 -27.842 1.00 65.10 H new ATOM 616 N PHE A 40 9.165 -2.117 -24.757 1.00 1.42 N ATOM 617 CA PHE A 40 8.271 -1.928 -23.622 1.00 63.23 C ATOM 618 C PHE A 40 7.769 -0.489 -23.557 1.00 75.24 C ATOM 619 O PHE A 40 8.490 0.448 -23.903 1.00 4.41 O ATOM 620 CB PHE A 40 8.982 -2.290 -22.317 1.00 21.42 C ATOM 621 CG PHE A 40 8.327 -1.712 -21.095 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.152 -2.254 -20.601 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.886 -0.625 -20.442 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.547 -1.725 -19.476 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.286 -0.091 -19.318 1.00 1.00 C ATOM 626 CZ PHE A 40 7.114 -0.641 -18.835 1.00 62.30 C ATOM 0 H PHE A 40 10.089 -2.470 -24.510 1.00 1.42 H new ATOM 0 HA PHE A 40 7.414 -2.588 -23.756 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.017 -3.375 -22.221 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.013 -1.941 -22.366 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.703 -3.100 -21.100 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.801 -0.190 -20.816 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.633 -2.159 -19.099 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.732 0.755 -18.817 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.642 -0.224 -17.958 1.00 62.30 H new ATOM 636 N CYS A 41 6.528 -0.320 -23.115 1.00 41.12 N ATOM 637 CA CYS A 41 5.927 1.004 -23.007 1.00 52.51 C ATOM 638 C CYS A 41 4.734 0.985 -22.056 1.00 43.12 C ATOM 639 O CYS A 41 4.486 -0.011 -21.375 1.00 21.44 O ATOM 640 CB CYS A 41 5.487 1.502 -24.385 1.00 65.44 C ATOM 641 SG CYS A 41 4.132 0.536 -25.125 1.00 51.34 S ATOM 0 H CYS A 41 5.918 -1.084 -22.825 1.00 41.12 H new ATOM 0 HA CYS A 41 6.678 1.684 -22.605 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.173 2.543 -24.301 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.344 1.481 -25.058 1.00 65.44 H new ATOM 646 N LEU A 42 4.000 2.091 -22.014 1.00 12.45 N ATOM 647 CA LEU A 42 2.833 2.202 -21.146 1.00 22.41 C ATOM 648 C LEU A 42 1.576 2.497 -21.959 1.00 51.03 C ATOM 649 O LEU A 42 1.655 2.934 -23.107 1.00 23.33 O ATOM 650 CB LEU A 42 3.049 3.301 -20.104 1.00 3.12 C ATOM 651 CG LEU A 42 4.401 3.290 -19.389 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.533 4.501 -18.478 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.575 2.003 -18.596 1.00 64.35 C ATOM 0 H LEU A 42 4.192 2.924 -22.571 1.00 12.45 H new ATOM 0 HA LEU A 42 2.699 1.248 -20.636 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.927 4.267 -20.593 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.263 3.222 -19.353 1.00 3.12 H new ATOM 0 HG LEU A 42 5.188 3.339 -20.141 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.501 4.476 -17.978 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.454 5.412 -19.071 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.739 4.483 -17.732 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.543 2.013 -18.094 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.781 1.923 -17.853 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.526 1.150 -19.272 1.00 64.35 H new ATOM 665 N VAL A 43 0.416 2.257 -21.355 1.00 43.30 N ATOM 666 CA VAL A 43 -0.858 2.501 -22.021 1.00 31.01 C ATOM 667 C VAL A 43 -1.549 3.735 -21.453 1.00 54.02 C ATOM 668 O VAL A 43 -1.004 4.423 -20.588 1.00 1.44 O ATOM 669 CB VAL A 43 -1.801 1.290 -21.887 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.257 0.102 -22.665 1.00 24.03 C ATOM 671 CG2 VAL A 43 -2.002 0.933 -20.423 1.00 2.01 C ATOM 0 H VAL A 43 0.333 1.894 -20.406 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.637 2.666 -23.076 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.770 1.556 -22.309 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -1.936 -0.744 -22.559 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.169 0.367 -23.719 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.276 -0.169 -22.276 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.671 0.076 -20.346 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -1.040 0.685 -19.974 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.439 1.782 -19.898 1.00 2.01 H new ATOM 681 N LYS A 44 -2.751 4.011 -21.943 1.00 2.34 N ATOM 682 CA LYS A 44 -3.520 5.162 -21.483 1.00 53.21 C ATOM 683 C LYS A 44 -4.179 4.874 -20.138 1.00 52.14 C ATOM 684 O LYS A 44 -4.871 5.726 -19.580 1.00 22.22 O ATOM 685 CB LYS A 44 -4.587 5.534 -22.516 1.00 61.32 C ATOM 686 CG LYS A 44 -5.685 4.495 -22.657 1.00 71.24 C ATOM 687 CD LYS A 44 -5.624 3.798 -24.005 1.00 71.12 C ATOM 688 CE LYS A 44 -6.931 3.090 -24.328 1.00 11.52 C ATOM 689 NZ LYS A 44 -6.808 2.214 -25.525 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.215 3.453 -22.660 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.834 6.000 -21.360 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -5.035 6.488 -22.236 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.108 5.678 -23.485 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.593 3.757 -21.860 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.657 4.973 -22.538 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -5.403 4.528 -24.783 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -4.808 3.075 -24.005 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -7.241 2.492 -23.471 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.712 3.831 -24.499 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -7.720 1.750 -25.711 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -6.537 2.788 -26.349 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -6.081 1.491 -25.353 1.00 43.31 H new ATOM 703 N TRP A 45 -3.958 3.671 -19.621 1.00 61.52 N ATOM 704 CA TRP A 45 -4.528 3.273 -18.340 1.00 74.50 C ATOM 705 C TRP A 45 -3.434 2.866 -17.360 1.00 42.02 C ATOM 706 O TRP A 45 -3.707 2.246 -16.331 1.00 73.52 O ATOM 707 CB TRP A 45 -5.512 2.117 -18.533 1.00 42.20 C ATOM 708 CG TRP A 45 -6.683 2.474 -19.398 1.00 43.15 C ATOM 709 CD1 TRP A 45 -6.980 1.961 -20.628 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.713 3.422 -19.098 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.132 2.533 -21.112 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.602 3.432 -20.191 1.00 25.41 C ATOM 713 CE3 TRP A 45 -7.972 4.263 -18.012 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.728 4.250 -20.227 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.089 5.074 -18.050 1.00 34.23 C ATOM 716 CH2 TRP A 45 -9.957 5.063 -19.150 1.00 24.53 C ATOM 0 H TRP A 45 -3.388 2.954 -20.070 1.00 61.52 H new ATOM 0 HA TRP A 45 -5.060 4.129 -17.926 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -4.986 1.271 -18.976 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -5.875 1.791 -17.558 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.395 1.215 -21.145 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.566 2.323 -22.011 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.310 4.278 -17.159 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.397 4.243 -21.075 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.297 5.729 -17.217 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.823 5.708 -19.148 1.00 24.53 H new ATOM 727 N LYS A 46 -2.194 3.217 -17.684 1.00 42.21 N ATOM 728 CA LYS A 46 -1.058 2.889 -16.831 1.00 51.21 C ATOM 729 C LYS A 46 -0.464 4.149 -16.208 1.00 0.41 C ATOM 730 O LYS A 46 -0.488 5.221 -16.813 1.00 73.52 O ATOM 731 CB LYS A 46 0.014 2.152 -17.635 1.00 62.45 C ATOM 732 CG LYS A 46 -0.243 0.660 -17.766 1.00 61.44 C ATOM 733 CD LYS A 46 0.638 -0.142 -16.823 1.00 44.12 C ATOM 734 CE LYS A 46 1.069 -1.461 -17.448 1.00 21.31 C ATOM 735 NZ LYS A 46 1.662 -2.384 -16.442 1.00 41.31 N1+ ATOM 0 H LYS A 46 -1.950 3.729 -18.532 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.413 2.240 -16.030 1.00 51.21 H new ATOM 0 HB2 LYS A 46 0.075 2.591 -18.631 1.00 62.45 H new ATOM 0 HB3 LYS A 46 0.983 2.305 -17.159 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.291 0.450 -17.553 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.058 0.347 -18.793 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.520 0.443 -16.561 1.00 44.12 H new ATOM 0 HD3 LYS A 46 0.098 -0.337 -15.896 1.00 44.12 H new ATOM 0 HE2 LYS A 46 0.209 -1.939 -17.917 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.796 -1.269 -18.237 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 1.943 -3.271 -16.907 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 2.498 -1.939 -16.013 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 0.960 -2.588 -15.702 1.00 41.31 H new ATOM 749 N GLN A 47 0.069 4.011 -14.998 1.00 64.53 N ATOM 750 CA GLN A 47 0.670 5.139 -14.296 1.00 74.13 C ATOM 751 C GLN A 47 1.782 5.769 -15.128 1.00 13.14 C ATOM 752 O GLN A 47 2.545 5.069 -15.794 1.00 23.10 O ATOM 753 CB GLN A 47 1.222 4.688 -12.942 1.00 24.11 C ATOM 754 CG GLN A 47 0.347 5.089 -11.765 1.00 62.21 C ATOM 755 CD GLN A 47 0.448 4.117 -10.606 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.492 3.499 -10.388 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.637 3.975 -9.855 1.00 45.00 N ATOM 0 H GLN A 47 0.097 3.130 -14.484 1.00 64.53 H new ATOM 0 HA GLN A 47 -0.105 5.888 -14.134 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.335 3.604 -12.948 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.217 5.111 -12.805 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.634 6.084 -11.426 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.691 5.151 -12.093 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.480 4.507 -10.071 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.628 3.334 -9.061 1.00 45.00 H new ATOM 766 N CYS A 48 1.868 7.094 -15.085 1.00 31.24 N ATOM 767 CA CYS A 48 2.887 7.820 -15.835 1.00 22.31 C ATOM 768 C CYS A 48 3.981 8.335 -14.907 1.00 55.30 C ATOM 769 O CYS A 48 5.081 8.667 -15.350 1.00 50.32 O ATOM 770 CB CYS A 48 2.254 8.988 -16.595 1.00 73.10 C ATOM 771 SG CYS A 48 1.877 10.434 -15.553 1.00 25.31 S ATOM 0 H CYS A 48 1.244 7.688 -14.538 1.00 31.24 H new ATOM 0 HA CYS A 48 3.337 7.131 -16.550 1.00 22.31 H new ATOM 0 HB2 CYS A 48 2.928 9.295 -17.395 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.334 8.644 -17.068 1.00 73.10 H new ATOM 776 N ASP A 49 3.674 8.399 -13.616 1.00 45.13 N ATOM 777 CA ASP A 49 4.632 8.873 -12.624 1.00 34.44 C ATOM 778 C ASP A 49 5.965 8.145 -12.765 1.00 31.03 C ATOM 779 O ASP A 49 6.041 6.928 -12.596 1.00 25.13 O ATOM 780 CB ASP A 49 4.076 8.675 -11.213 1.00 20.02 C ATOM 781 CG ASP A 49 4.545 9.749 -10.251 1.00 23.14 C ATOM 782 OD1 ASP A 49 4.368 10.945 -10.564 1.00 10.54 O1- ATOM 783 OD2 ASP A 49 5.089 9.394 -9.184 1.00 41.44 O ATOM 0 H ASP A 49 2.769 8.128 -13.232 1.00 45.13 H new ATOM 0 HA ASP A 49 4.799 9.936 -12.795 1.00 34.44 H new ATOM 0 HB2 ASP A 49 2.987 8.676 -11.251 1.00 20.02 H new ATOM 0 HB3 ASP A 49 4.381 7.698 -10.839 1.00 20.02 H new ATOM 788 N GLY A 50 7.015 8.898 -13.077 1.00 64.44 N ATOM 789 CA GLY A 50 8.331 8.308 -13.237 1.00 42.12 C ATOM 790 C GLY A 50 8.603 7.876 -14.665 1.00 40.31 C ATOM 791 O GLY A 50 9.744 7.914 -15.125 1.00 15.21 O ATOM 0 H GLY A 50 6.978 9.907 -13.222 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.089 9.028 -12.928 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.422 7.446 -12.576 1.00 42.12 H new ATOM 795 N ARG A 51 7.553 7.464 -15.366 1.00 1.11 N ATOM 796 CA ARG A 51 7.685 7.020 -16.749 1.00 3.05 C ATOM 797 C ARG A 51 7.009 8.003 -17.702 1.00 2.25 C ATOM 798 O ARG A 51 6.369 7.600 -18.672 1.00 3.34 O ATOM 799 CB ARG A 51 7.076 5.627 -16.920 1.00 51.11 C ATOM 800 CG ARG A 51 7.884 4.524 -16.258 1.00 20.31 C ATOM 801 CD ARG A 51 7.662 4.496 -14.754 1.00 11.03 C ATOM 802 NE ARG A 51 8.178 3.272 -14.147 1.00 71.21 N ATOM 803 CZ ARG A 51 9.470 3.046 -13.932 1.00 71.51 C ATOM 804 NH1 ARG A 51 10.371 3.957 -14.271 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 9.861 1.907 -13.375 1.00 71.12 N ATOM 0 H ARG A 51 6.602 7.428 -15.000 1.00 1.11 H new ATOM 0 HA ARG A 51 8.747 6.977 -16.991 1.00 3.05 H new ATOM 0 HB2 ARG A 51 6.068 5.627 -16.505 1.00 51.11 H new ATOM 0 HB3 ARG A 51 6.982 5.409 -17.984 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.606 3.561 -16.686 1.00 20.31 H new ATOM 0 HG3 ARG A 51 8.943 4.672 -16.468 1.00 20.31 H new ATOM 0 HD2 ARG A 51 8.149 5.359 -14.300 1.00 11.03 H new ATOM 0 HD3 ARG A 51 6.596 4.584 -14.543 1.00 11.03 H new ATOM 0 HE ARG A 51 7.510 2.551 -13.873 1.00 71.21 H new ATOM 0 HH11 ARG A 51 10.074 4.834 -14.698 1.00 5.32 H new ATOM 0 HH12 ARG A 51 11.362 3.781 -14.105 1.00 5.32 H new ATOM 0 HH21 ARG A 51 9.170 1.204 -13.112 1.00 71.12 H new ATOM 0 HH22 ARG A 51 10.853 1.734 -13.210 1.00 71.12 H new ATOM 819 N GLU A 52 7.158 9.292 -17.417 1.00 24.42 N ATOM 820 CA GLU A 52 6.561 10.332 -18.247 1.00 31.15 C ATOM 821 C GLU A 52 7.131 10.290 -19.663 1.00 45.14 C ATOM 822 O GLU A 52 6.556 10.859 -20.591 1.00 54.45 O ATOM 823 CB GLU A 52 6.800 11.710 -17.629 1.00 70.10 C ATOM 824 CG GLU A 52 8.258 12.137 -17.638 1.00 13.21 C ATOM 825 CD GLU A 52 8.578 13.147 -16.553 1.00 41.43 C ATOM 826 OE1 GLU A 52 7.630 13.657 -15.919 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.776 13.427 -16.338 1.00 51.44 O1- ATOM 0 H GLU A 52 7.687 9.642 -16.618 1.00 24.42 H new ATOM 0 HA GLU A 52 5.488 10.148 -18.300 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.210 12.449 -18.171 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.438 11.705 -16.601 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.890 11.259 -17.509 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.501 12.565 -18.610 1.00 13.21 H new ATOM 834 N ARG A 53 8.266 9.616 -19.817 1.00 4.13 N ATOM 835 CA ARG A 53 8.916 9.503 -21.118 1.00 53.25 C ATOM 836 C ARG A 53 9.140 8.039 -21.487 1.00 61.40 C ATOM 837 O ARG A 53 10.024 7.718 -22.282 1.00 72.20 O ATOM 838 CB ARG A 53 10.251 10.248 -21.111 1.00 72.43 C ATOM 839 CG ARG A 53 10.128 11.716 -20.733 1.00 65.33 C ATOM 840 CD ARG A 53 11.255 12.542 -21.332 1.00 3.24 C ATOM 841 NE ARG A 53 10.959 12.966 -22.697 1.00 34.41 N ATOM 842 CZ ARG A 53 10.104 13.937 -22.997 1.00 52.53 C ATOM 843 NH1 ARG A 53 9.465 14.582 -22.031 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 9.886 14.264 -24.264 1.00 14.35 N ATOM 0 H ARG A 53 8.754 9.140 -19.058 1.00 4.13 H new ATOM 0 HA ARG A 53 8.261 9.953 -21.864 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.928 9.757 -20.412 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.704 10.173 -22.099 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.169 12.103 -21.078 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.140 11.816 -19.648 1.00 65.33 H new ATOM 0 HD2 ARG A 53 11.431 13.420 -20.710 1.00 3.24 H new ATOM 0 HD3 ARG A 53 12.175 11.958 -21.326 1.00 3.24 H new ATOM 0 HE ARG A 53 11.435 12.490 -23.463 1.00 34.41 H new ATOM 0 HH11 ARG A 53 9.630 14.333 -21.056 1.00 75.13 H new ATOM 0 HH12 ARG A 53 8.809 15.328 -22.263 1.00 75.13 H new ATOM 0 HH21 ARG A 53 10.375 13.769 -25.010 1.00 14.35 H new ATOM 0 HH22 ARG A 53 9.229 15.010 -24.492 1.00 14.35 H new ATOM 858 N ASP A 54 8.335 7.157 -20.905 1.00 54.44 N ATOM 859 CA ASP A 54 8.445 5.728 -21.174 1.00 31.21 C ATOM 860 C ASP A 54 7.186 5.206 -21.858 1.00 61.13 C ATOM 861 O ASP A 54 7.209 4.163 -22.512 1.00 60.01 O ATOM 862 CB ASP A 54 8.689 4.961 -19.873 1.00 61.24 C ATOM 863 CG ASP A 54 9.909 4.064 -19.951 1.00 62.32 C ATOM 864 OD1 ASP A 54 10.899 4.464 -20.601 1.00 42.13 O ATOM 865 OD2 ASP A 54 9.875 2.962 -19.365 1.00 42.43 O1- ATOM 0 H ASP A 54 7.599 7.406 -20.244 1.00 54.44 H new ATOM 0 HA ASP A 54 9.291 5.572 -21.843 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.814 5.670 -19.055 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.812 4.357 -19.640 1.00 61.24 H new ATOM 870 N CYS A 55 6.087 5.936 -21.702 1.00 51.44 N ATOM 871 CA CYS A 55 4.817 5.547 -22.303 1.00 52.31 C ATOM 872 C CYS A 55 4.988 5.247 -23.790 1.00 63.35 C ATOM 873 O CYS A 55 6.029 5.541 -24.378 1.00 61.14 O ATOM 874 CB CYS A 55 3.777 6.651 -22.110 1.00 15.01 C ATOM 875 SG CYS A 55 3.517 7.133 -20.372 1.00 50.34 S ATOM 0 H CYS A 55 6.050 6.802 -21.164 1.00 51.44 H new ATOM 0 HA CYS A 55 4.471 4.641 -21.805 1.00 52.31 H new ATOM 0 HB2 CYS A 55 4.086 7.529 -22.677 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.828 6.318 -22.529 1.00 15.01 H new ATOM 880 N CYS A 56 3.958 4.661 -24.391 1.00 32.14 N ATOM 881 CA CYS A 56 3.992 4.321 -25.809 1.00 3.14 C ATOM 882 C CYS A 56 3.961 5.581 -26.671 1.00 52.12 C ATOM 883 O CYS A 56 4.007 6.698 -26.157 1.00 1.22 O ATOM 884 CB CYS A 56 2.813 3.416 -26.167 1.00 72.45 C ATOM 885 SG CYS A 56 3.291 1.723 -26.641 1.00 3.31 S ATOM 0 H CYS A 56 3.089 4.412 -23.918 1.00 32.14 H new ATOM 0 HA CYS A 56 4.922 3.789 -26.007 1.00 3.14 H new ATOM 0 HB2 CYS A 56 2.136 3.365 -25.314 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.258 3.869 -26.989 1.00 72.45 H new ATOM 890 N ALA A 57 3.883 5.390 -27.984 1.00 24.11 N ATOM 891 CA ALA A 57 3.844 6.509 -28.917 1.00 42.23 C ATOM 892 C ALA A 57 2.484 7.199 -28.889 1.00 72.42 C ATOM 893 O ALA A 57 1.443 6.544 -28.923 1.00 32.44 O ATOM 894 CB ALA A 57 4.167 6.034 -30.326 1.00 3.21 C ATOM 0 H ALA A 57 3.846 4.471 -28.425 1.00 24.11 H new ATOM 0 HA ALA A 57 4.597 7.234 -28.608 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.134 6.881 -31.012 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.164 5.593 -30.342 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.435 5.288 -30.635 1.00 3.21 H new ATOM 900 N GLY A 58 2.501 8.528 -28.826 1.00 45.51 N ATOM 901 CA GLY A 58 1.263 9.284 -28.793 1.00 33.35 C ATOM 902 C GLY A 58 0.755 9.504 -27.382 1.00 32.21 C ATOM 903 O GLY A 58 -0.107 10.353 -27.149 1.00 4.20 O ATOM 0 H GLY A 58 3.350 9.093 -28.797 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.418 10.249 -29.275 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.504 8.757 -29.371 1.00 33.35 H new ATOM 907 N LEU A 59 1.290 8.739 -26.436 1.00 62.12 N ATOM 908 CA LEU A 59 0.884 8.854 -25.040 1.00 12.44 C ATOM 909 C LEU A 59 1.593 10.021 -24.360 1.00 51.41 C ATOM 910 O LEU A 59 2.513 10.613 -24.923 1.00 13.31 O ATOM 911 CB LEU A 59 1.186 7.554 -24.292 1.00 0.22 C ATOM 912 CG LEU A 59 0.003 6.900 -23.577 1.00 50.25 C ATOM 913 CD1 LEU A 59 -1.176 6.747 -24.525 1.00 1.55 C ATOM 914 CD2 LEU A 59 0.407 5.549 -23.004 1.00 50.20 C ATOM 0 H LEU A 59 2.005 8.033 -26.611 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.190 9.041 -25.014 1.00 12.44 H new ATOM 0 HB2 LEU A 59 1.597 6.837 -25.002 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.964 7.755 -23.555 1.00 0.22 H new ATOM 0 HG LEU A 59 -0.301 7.546 -22.753 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -2.008 6.280 -23.998 1.00 1.55 H new ATOM 0 HD12 LEU A 59 -1.481 7.729 -24.887 1.00 1.55 H new ATOM 0 HD13 LEU A 59 -0.885 6.123 -25.370 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -0.447 5.098 -22.499 1.00 50.20 H new ATOM 0 HD22 LEU A 59 0.738 4.896 -23.811 1.00 50.20 H new ATOM 0 HD23 LEU A 59 1.220 5.685 -22.291 1.00 50.20 H new ATOM 926 N GLU A 60 1.159 10.345 -23.146 1.00 13.01 N ATOM 927 CA GLU A 60 1.754 11.440 -22.390 1.00 5.33 C ATOM 928 C GLU A 60 1.375 11.353 -20.914 1.00 35.33 C ATOM 929 O GLU A 60 0.333 10.799 -20.561 1.00 50.25 O ATOM 930 CB GLU A 60 1.307 12.787 -22.964 1.00 50.33 C ATOM 931 CG GLU A 60 -0.154 13.107 -22.697 1.00 41.10 C ATOM 932 CD GLU A 60 -0.781 13.938 -23.799 1.00 3.12 C ATOM 933 OE1 GLU A 60 -0.034 14.425 -24.673 1.00 52.34 O ATOM 934 OE2 GLU A 60 -2.018 14.102 -23.788 1.00 2.21 O1- ATOM 0 H GLU A 60 0.398 9.865 -22.666 1.00 13.01 H new ATOM 0 HA GLU A 60 2.838 11.358 -22.474 1.00 5.33 H new ATOM 0 HB2 GLU A 60 1.927 13.577 -22.540 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.480 12.789 -24.040 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.711 12.177 -22.587 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.238 13.642 -21.751 1.00 41.10 H new ATOM 941 N CYS A 61 2.229 11.902 -20.057 1.00 32.21 N ATOM 942 CA CYS A 61 1.986 11.885 -18.620 1.00 32.23 C ATOM 943 C CYS A 61 0.754 12.713 -18.266 1.00 41.14 C ATOM 944 O CYS A 61 0.841 13.927 -18.086 1.00 25.31 O ATOM 945 CB CYS A 61 3.207 12.422 -17.869 1.00 74.11 C ATOM 946 SG CYS A 61 3.363 11.800 -16.163 1.00 3.45 S ATOM 0 H CYS A 61 3.095 12.364 -20.333 1.00 32.21 H new ATOM 0 HA CYS A 61 1.807 10.853 -18.320 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.107 12.158 -18.424 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.155 13.510 -17.844 1.00 74.11 H new ATOM 951 N TRP A 62 -0.391 12.047 -18.170 1.00 31.21 N ATOM 952 CA TRP A 62 -1.641 12.721 -17.838 1.00 62.54 C ATOM 953 C TRP A 62 -1.720 13.015 -16.344 1.00 11.34 C ATOM 954 O TRP A 62 -1.453 12.147 -15.514 1.00 63.25 O ATOM 955 CB TRP A 62 -2.835 11.865 -18.266 1.00 22.53 C ATOM 956 CG TRP A 62 -4.088 12.659 -18.479 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.207 14.019 -18.474 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.400 12.140 -18.728 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.514 14.378 -18.705 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.265 13.242 -18.864 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.926 10.851 -18.851 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.626 13.093 -19.115 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.277 10.704 -19.100 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.114 11.821 -19.230 1.00 43.24 C ATOM 0 H TRP A 62 -0.480 11.042 -18.317 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.670 13.668 -18.378 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.585 11.340 -19.188 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -3.019 11.105 -17.506 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.394 14.711 -18.312 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.867 15.334 -18.751 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.288 9.985 -18.753 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.273 13.952 -19.215 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.695 9.713 -19.196 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.166 11.674 -19.425 1.00 43.24 H new ATOM 975 N LYS A 63 -2.091 14.246 -16.007 1.00 23.40 N ATOM 976 CA LYS A 63 -2.208 14.656 -14.613 1.00 52.14 C ATOM 977 C LYS A 63 -3.668 14.681 -14.174 1.00 24.33 C ATOM 978 O LYS A 63 -4.389 15.644 -14.433 1.00 41.02 O ATOM 979 CB LYS A 63 -1.581 16.038 -14.411 1.00 44.12 C ATOM 980 CG LYS A 63 -0.991 16.241 -13.027 1.00 53.51 C ATOM 981 CD LYS A 63 -2.014 16.820 -12.064 1.00 4.40 C ATOM 982 CE LYS A 63 -2.191 18.316 -12.272 1.00 40.12 C ATOM 983 NZ LYS A 63 -1.162 19.104 -11.538 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.316 14.977 -16.681 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.675 13.929 -14.001 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.799 16.185 -15.156 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.339 16.801 -14.589 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.627 15.288 -12.643 1.00 53.51 H new ATOM 0 HG3 LYS A 63 -0.132 16.909 -13.091 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -2.971 16.317 -12.202 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -1.699 16.629 -11.038 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -2.132 18.544 -13.336 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -3.184 18.614 -11.937 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -1.317 20.119 -11.705 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -1.234 18.906 -10.520 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -0.215 18.838 -11.876 1.00 71.35 H new ATOM 997 N ARG A 64 -4.098 13.616 -13.505 1.00 23.41 N ATOM 998 CA ARG A 64 -5.473 13.515 -13.029 1.00 20.52 C ATOM 999 C ARG A 64 -5.515 13.403 -11.509 1.00 15.01 C ATOM 1000 O ARG A 64 -4.806 12.590 -10.917 1.00 71.20 O ATOM 1001 CB ARG A 64 -6.167 12.307 -13.661 1.00 61.21 C ATOM 1002 CG ARG A 64 -7.089 12.667 -14.814 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.324 11.478 -15.732 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.595 10.814 -15.454 1.00 4.33 N ATOM 1005 CZ ARG A 64 -9.778 11.327 -15.776 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -9.851 12.502 -16.385 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -10.889 10.662 -15.489 1.00 55.42 N ATOM 0 H ARG A 64 -3.514 12.811 -13.280 1.00 23.41 H new ATOM 0 HA ARG A 64 -6.000 14.422 -13.323 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.409 11.609 -14.017 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.743 11.788 -12.895 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -8.043 13.019 -14.422 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.656 13.489 -15.385 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.309 11.813 -16.769 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.509 10.764 -15.616 1.00 21.45 H new ATOM 0 HE ARG A 64 -8.573 9.907 -14.987 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -8.998 13.015 -16.608 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -10.760 12.893 -16.631 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.835 9.757 -15.021 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -11.797 11.055 -15.736 1.00 55.42 H new ATOM 1021 N SER A 65 -6.352 14.224 -10.882 1.00 20.12 N ATOM 1022 CA SER A 65 -6.484 14.220 -9.429 1.00 63.33 C ATOM 1023 C SER A 65 -7.951 14.172 -9.018 1.00 1.01 C ATOM 1024 O SER A 65 -8.787 14.888 -9.569 1.00 23.41 O ATOM 1025 CB SER A 65 -5.814 15.459 -8.832 1.00 25.02 C ATOM 1026 OG SER A 65 -4.487 15.600 -9.307 1.00 51.35 O ATOM 0 H SER A 65 -6.949 14.901 -11.357 1.00 20.12 H new ATOM 0 HA SER A 65 -5.988 13.328 -9.045 1.00 63.33 H new ATOM 0 HB2 SER A 65 -6.391 16.347 -9.088 1.00 25.02 H new ATOM 0 HB3 SER A 65 -5.808 15.385 -7.745 1.00 25.02 H new ATOM 0 HG SER A 65 -4.081 16.400 -8.912 1.00 51.35 H new ATOM 1032 N GLY A 66 -8.259 13.322 -8.042 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.626 13.194 -7.572 1.00 32.50 C ATOM 1034 C GLY A 66 -10.246 11.863 -7.945 1.00 23.21 C ATOM 1035 O GLY A 66 -11.200 11.415 -7.309 1.00 21.34 O ATOM 0 H GLY A 66 -7.585 12.720 -7.569 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -9.646 13.310 -6.488 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -10.228 14.001 -7.990 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.704 11.228 -8.979 1.00 74.50 N ATOM 1040 CA ASN A 67 -10.212 9.941 -9.437 1.00 52.31 C ATOM 1041 C ASN A 67 -9.216 8.825 -9.138 1.00 13.21 C ATOM 1042 O ASN A 67 -9.576 7.788 -8.580 1.00 42.14 O ATOM 1043 CB ASN A 67 -10.505 9.989 -10.939 1.00 3.14 C ATOM 1044 CG ASN A 67 -11.858 10.602 -11.245 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -12.888 10.137 -10.756 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -11.861 11.652 -12.057 1.00 50.12 N ATOM 0 H ASN A 67 -8.913 11.584 -9.515 1.00 74.50 H new ATOM 0 HA ASN A 67 -11.137 9.732 -8.899 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -9.727 10.565 -11.440 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.466 8.979 -11.346 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -12.741 12.107 -12.299 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -10.983 12.004 -12.439 1.00 50.12 H new ATOM 1053 N LYS A 68 -7.960 9.045 -9.512 1.00 13.24 N ATOM 1054 CA LYS A 68 -6.909 8.060 -9.282 1.00 70.13 C ATOM 1055 C LYS A 68 -5.529 8.693 -9.432 1.00 24.21 C ATOM 1056 O LYS A 68 -5.409 9.883 -9.720 1.00 24.20 O ATOM 1057 CB LYS A 68 -7.055 6.891 -10.259 1.00 61.12 C ATOM 1058 CG LYS A 68 -7.865 5.733 -9.704 1.00 42.15 C ATOM 1059 CD LYS A 68 -7.497 4.421 -10.378 1.00 51.10 C ATOM 1060 CE LYS A 68 -8.104 4.320 -11.768 1.00 54.14 C ATOM 1061 NZ LYS A 68 -8.222 2.905 -12.221 1.00 5.22 N1+ ATOM 0 H LYS A 68 -7.645 9.897 -9.976 1.00 13.24 H new ATOM 0 HA LYS A 68 -7.010 7.688 -8.262 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.528 7.249 -11.173 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -6.063 6.531 -10.533 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -7.696 5.651 -8.630 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.928 5.930 -9.845 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -6.412 4.337 -10.446 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -7.843 3.587 -9.767 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -9.090 4.785 -11.768 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -7.489 4.877 -12.474 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -8.640 2.879 -13.173 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -7.278 2.468 -12.245 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -8.830 2.379 -11.561 1.00 5.22 H new ATOM 1075 N SER A 69 -4.490 7.887 -9.238 1.00 71.50 N ATOM 1076 CA SER A 69 -3.118 8.368 -9.349 1.00 14.31 C ATOM 1077 C SER A 69 -2.841 8.901 -10.752 1.00 24.23 C ATOM 1078 O SER A 69 -3.700 8.838 -11.631 1.00 73.23 O ATOM 1079 CB SER A 69 -2.133 7.247 -9.013 1.00 24.24 C ATOM 1080 OG SER A 69 -2.018 7.073 -7.611 1.00 64.42 O ATOM 0 H SER A 69 -4.572 6.898 -9.003 1.00 71.50 H new ATOM 0 HA SER A 69 -2.986 9.183 -8.637 1.00 14.31 H new ATOM 0 HB2 SER A 69 -2.466 6.316 -9.472 1.00 24.24 H new ATOM 0 HB3 SER A 69 -1.155 7.479 -9.435 1.00 24.24 H new ATOM 0 HG SER A 69 -1.384 6.350 -7.422 1.00 64.42 H new ATOM 1086 N SER A 70 -1.636 9.423 -10.953 1.00 24.02 N ATOM 1087 CA SER A 70 -1.245 9.970 -12.246 1.00 70.11 C ATOM 1088 C SER A 70 -1.118 8.862 -13.288 1.00 12.53 C ATOM 1089 O SER A 70 -0.330 7.930 -13.126 1.00 34.55 O ATOM 1090 CB SER A 70 0.078 10.728 -12.126 1.00 35.12 C ATOM 1091 OG SER A 70 1.177 9.833 -12.108 1.00 4.53 O ATOM 0 H SER A 70 -0.913 9.479 -10.236 1.00 24.02 H new ATOM 0 HA SER A 70 -2.022 10.662 -12.569 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.182 11.420 -12.962 1.00 35.12 H new ATOM 0 HB3 SER A 70 0.077 11.326 -11.215 1.00 35.12 H new ATOM 0 HG SER A 70 0.849 8.911 -12.163 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.899 8.971 -14.358 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.873 7.981 -15.428 1.00 51.23 C ATOM 1099 C VAL A 71 -1.459 8.612 -16.752 1.00 35.12 C ATOM 1100 O VAL A 71 -1.228 9.820 -16.832 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.248 7.306 -15.601 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.531 6.366 -14.439 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.342 8.355 -15.729 1.00 25.23 C ATOM 0 H VAL A 71 -2.558 9.735 -14.507 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.139 7.227 -15.144 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.233 6.716 -16.518 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.506 5.899 -14.578 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.761 5.595 -14.399 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.529 6.930 -13.506 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.306 7.862 -15.850 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.361 8.973 -14.831 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.144 8.983 -16.597 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.367 7.789 -17.790 1.00 12.23 N ATOM 1114 CA CYS A 72 -0.980 8.265 -19.113 1.00 12.45 C ATOM 1115 C CYS A 72 -2.192 8.344 -20.038 1.00 40.11 C ATOM 1116 O CYS A 72 -3.186 7.647 -19.837 1.00 33.42 O ATOM 1117 CB CYS A 72 0.080 7.344 -19.720 1.00 45.13 C ATOM 1118 SG CYS A 72 1.722 8.113 -19.892 1.00 32.40 S ATOM 0 H CYS A 72 -1.555 6.788 -17.741 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.562 9.266 -19.004 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.171 6.453 -19.098 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.260 7.014 -20.702 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.100 9.198 -21.052 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.186 9.367 -22.010 1.00 74.50 C ATOM 1125 C ALA A 73 -2.648 9.681 -23.401 1.00 24.12 C ATOM 1126 O ALA A 73 -1.550 10.216 -23.562 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.131 10.466 -21.547 1.00 34.14 C ATOM 0 H ALA A 73 -1.284 9.784 -21.231 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.737 8.428 -22.066 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.937 10.582 -22.271 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.550 10.200 -20.577 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.583 11.404 -21.461 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.435 9.341 -24.432 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.057 9.577 -25.829 1.00 3.31 C ATOM 1135 C PRO A 74 -3.061 11.059 -26.187 1.00 22.40 C ATOM 1136 O PRO A 74 -3.436 11.904 -25.373 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.136 8.833 -26.619 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.313 8.792 -25.707 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.756 8.699 -24.314 1.00 71.33 C ATOM 0 HA PRO A 74 -2.044 9.236 -26.041 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.373 9.350 -27.549 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -3.808 7.829 -26.888 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -5.927 9.685 -25.823 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -5.950 7.936 -25.930 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.390 9.214 -23.592 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.672 7.664 -23.983 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.644 11.368 -27.411 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.601 12.749 -27.877 1.00 21.04 C ATOM 1149 C ILE A 75 -3.977 13.400 -27.789 1.00 1.24 C ATOM 1150 O ILE A 75 -5.003 12.726 -27.876 1.00 71.12 O ATOM 1151 CB ILE A 75 -2.094 12.837 -29.328 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -2.846 11.842 -30.215 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.597 12.580 -29.384 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -2.778 12.175 -31.689 1.00 54.32 C ATOM 0 H ILE A 75 -2.331 10.681 -28.097 1.00 63.22 H new ATOM 0 HA ILE A 75 -1.907 13.282 -27.227 1.00 21.04 H new ATOM 0 HB ILE A 75 -2.283 13.843 -29.702 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.436 10.845 -30.057 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -3.891 11.810 -29.906 1.00 51.41 H new ATOM 0 HG21 ILE A 75 -0.255 12.646 -30.417 1.00 51.24 H new ATOM 0 HG22 ILE A 75 -0.077 13.325 -28.781 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.384 11.585 -28.994 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -3.332 11.428 -32.257 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -3.215 13.159 -31.860 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -1.737 12.179 -32.014 1.00 54.32 H new ATOM 1166 N THR A 76 -3.991 14.719 -27.618 1.00 52.02 N ATOM 1167 CA THR A 76 -5.240 15.464 -27.520 1.00 31.24 C ATOM 1168 C THR A 76 -5.210 16.708 -28.400 1.00 33.21 C ATOM 1169 O THR A 76 -4.143 17.152 -28.828 1.00 71.35 O ATOM 1170 CB THR A 76 -5.530 15.885 -26.066 1.00 2.31 C ATOM 1171 OG1 THR A 76 -4.401 16.579 -25.523 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.848 14.672 -25.205 1.00 61.00 C ATOM 0 H THR A 76 -3.151 15.293 -27.545 1.00 52.02 H new ATOM 0 HA THR A 76 -6.032 14.799 -27.864 1.00 31.24 H new ATOM 0 HB THR A 76 -6.396 16.547 -26.068 1.00 2.31 H new ATOM 0 HG1 THR A 76 -4.594 16.845 -24.600 1.00 24.25 H new ATOM 0 HG21 THR A 76 -6.049 14.994 -24.183 1.00 61.00 H new ATOM 0 HG22 THR A 76 -6.725 14.162 -25.604 1.00 61.00 H new ATOM 0 HG23 THR A 76 -4.998 13.990 -25.210 1.00 61.00 H new TER 1180 THR A 76