USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 CYS N :NH3+ 162:sc= 0.139 (180deg=0.0403) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0911 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.787 K(o=-0.79,f=-0.068) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0215 (180deg=-0.315) USER MOD Single : A 10 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.45) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -0.349 (180deg=-0.931) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -0.0646 (180deg=-0.535) USER MOD Single : A 24 SER OG : rot 180:sc= -1.72 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -113:sc= 0.475 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.6!) USER MOD Single : A 46 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-4.2!) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -0.07 (180deg=-0.702) USER MOD Single : A 52 GLN : amide:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 60 THR OG1 : rot 150:sc= -0.684 USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= -0.0258 (180deg=-0.325) USER MOD Single : A 68 SER OG : rot 9:sc= 0.918 USER MOD Single : A 70 TYR OH : rot -178:sc= 0.439 USER MOD Single : A 71 GLN : amide:sc= -0.828 K(o=-0.83,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 21.645 10.507 2.285 1.00 0.00 N ATOM 2 CA CYS A 1 20.570 10.373 3.310 1.00 0.00 C ATOM 3 C CYS A 1 19.374 11.247 2.915 1.00 0.00 C ATOM 4 O CYS A 1 18.730 11.010 1.915 1.00 0.00 O ATOM 5 CB CYS A 1 21.110 10.825 4.665 1.00 0.00 C ATOM 6 SG CYS A 1 22.370 9.654 5.229 1.00 0.00 S ATOM 0 H1 CYS A 1 22.547 10.177 2.683 1.00 0.00 H new ATOM 0 H2 CYS A 1 21.403 9.934 1.452 1.00 0.00 H new ATOM 0 H3 CYS A 1 21.735 11.504 2.005 1.00 0.00 H new ATOM 0 HA CYS A 1 20.250 9.333 3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 1 21.537 11.825 4.584 1.00 0.00 H new ATOM 0 HB3 CYS A 1 20.299 10.882 5.391 1.00 0.00 H new ATOM 0 HG CYS A 1 22.834 10.037 6.382 1.00 0.00 H new ATOM 14 N SER A 2 19.070 12.251 3.695 1.00 0.00 N ATOM 15 CA SER A 2 17.913 13.131 3.359 1.00 0.00 C ATOM 16 C SER A 2 16.696 12.272 3.019 1.00 0.00 C ATOM 17 O SER A 2 15.786 12.712 2.345 1.00 0.00 O ATOM 18 CB SER A 2 18.266 14.010 2.153 1.00 0.00 C ATOM 19 OG SER A 2 19.590 14.501 2.303 1.00 0.00 O ATOM 0 H SER A 2 19.572 12.499 4.548 1.00 0.00 H new ATOM 0 HA SER A 2 17.684 13.764 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.181 13.434 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.564 14.840 2.076 1.00 0.00 H new ATOM 0 HG SER A 2 19.820 15.062 1.533 1.00 0.00 H new ATOM 25 N ASN A 3 16.671 11.049 3.469 1.00 0.00 N ATOM 26 CA ASN A 3 15.508 10.179 3.153 1.00 0.00 C ATOM 27 C ASN A 3 14.256 10.727 3.842 1.00 0.00 C ATOM 28 O ASN A 3 14.288 11.127 4.991 1.00 0.00 O ATOM 29 CB ASN A 3 15.792 8.752 3.636 1.00 0.00 C ATOM 30 CG ASN A 3 16.478 8.803 5.001 1.00 0.00 C ATOM 31 OD1 ASN A 3 15.821 8.892 6.021 1.00 0.00 O ATOM 32 ND2 ASN A 3 17.781 8.754 5.065 1.00 0.00 N ATOM 0 H ASN A 3 17.400 10.618 4.037 1.00 0.00 H new ATOM 0 HA ASN A 3 15.343 10.165 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.862 8.188 3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 3 16.426 8.233 2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.249 8.790 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 3 18.331 8.679 4.209 1.00 0.00 H new ATOM 39 N GLU A 4 13.150 10.747 3.139 1.00 0.00 N ATOM 40 CA GLU A 4 11.875 11.267 3.725 1.00 0.00 C ATOM 41 C GLU A 4 10.768 10.235 3.500 1.00 0.00 C ATOM 42 O GLU A 4 10.347 9.553 4.413 1.00 0.00 O ATOM 43 CB GLU A 4 11.500 12.584 3.029 1.00 0.00 C ATOM 44 CG GLU A 4 12.332 13.730 3.612 1.00 0.00 C ATOM 45 CD GLU A 4 11.863 14.031 5.038 1.00 0.00 C ATOM 46 OE1 GLU A 4 10.775 14.561 5.184 1.00 0.00 O ATOM 47 OE2 GLU A 4 12.605 13.729 5.961 1.00 0.00 O ATOM 0 H GLU A 4 13.076 10.422 2.175 1.00 0.00 H new ATOM 0 HA GLU A 4 12.000 11.444 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.676 12.503 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.438 12.788 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.388 13.461 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.231 14.619 2.990 1.00 0.00 H new ATOM 54 N LYS A 5 10.300 10.117 2.289 1.00 0.00 N ATOM 55 CA LYS A 5 9.221 9.129 1.992 1.00 0.00 C ATOM 56 C LYS A 5 9.844 7.739 1.859 1.00 0.00 C ATOM 57 O LYS A 5 9.204 6.803 1.429 1.00 0.00 O ATOM 58 CB LYS A 5 8.533 9.508 0.671 1.00 0.00 C ATOM 59 CG LYS A 5 7.419 10.520 0.935 1.00 0.00 C ATOM 60 CD LYS A 5 8.021 11.789 1.535 1.00 0.00 C ATOM 61 CE LYS A 5 6.936 12.857 1.655 1.00 0.00 C ATOM 62 NZ LYS A 5 6.590 13.369 0.299 1.00 0.00 N ATOM 0 H LYS A 5 10.618 10.663 1.488 1.00 0.00 H new ATOM 0 HA LYS A 5 8.486 9.130 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.262 9.929 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.122 8.617 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.898 10.755 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.681 10.096 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.446 11.575 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.835 12.151 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.051 12.439 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.284 13.675 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.097 14.280 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.460 13.499 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.971 12.686 -0.183 1.00 0.00 H new ATOM 76 N ALA A 6 11.092 7.614 2.214 1.00 0.00 N ATOM 77 CA ALA A 6 11.788 6.297 2.102 1.00 0.00 C ATOM 78 C ALA A 6 12.163 6.039 0.640 1.00 0.00 C ATOM 79 O ALA A 6 12.020 6.897 -0.209 1.00 0.00 O ATOM 80 CB ALA A 6 10.890 5.165 2.629 1.00 0.00 C ATOM 0 H ALA A 6 11.666 8.373 2.580 1.00 0.00 H new ATOM 0 HA ALA A 6 12.694 6.323 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.414 4.213 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.649 5.349 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.970 5.129 2.046 1.00 0.00 H new ATOM 86 N ARG A 7 12.653 4.860 0.339 1.00 0.00 N ATOM 87 CA ARG A 7 13.051 4.553 -1.069 1.00 0.00 C ATOM 88 C ARG A 7 11.902 3.819 -1.762 1.00 0.00 C ATOM 89 O ARG A 7 11.911 3.608 -2.959 1.00 0.00 O ATOM 90 CB ARG A 7 14.294 3.644 -1.059 1.00 0.00 C ATOM 91 CG ARG A 7 15.212 4.026 0.112 1.00 0.00 C ATOM 92 CD ARG A 7 15.551 5.532 0.068 1.00 0.00 C ATOM 93 NE ARG A 7 16.968 5.746 0.511 1.00 0.00 N ATOM 94 CZ ARG A 7 17.422 5.195 1.602 1.00 0.00 C ATOM 95 NH1 ARG A 7 16.609 4.589 2.419 1.00 0.00 N ATOM 96 NH2 ARG A 7 18.689 5.293 1.900 1.00 0.00 N ATOM 0 H ARG A 7 12.794 4.101 1.005 1.00 0.00 H new ATOM 0 HA ARG A 7 13.276 5.479 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.991 2.601 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.833 3.740 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.725 3.785 1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.130 3.440 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.414 5.916 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.870 6.087 0.714 1.00 0.00 H new ATOM 0 HE ARG A 7 17.586 6.332 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.612 4.544 2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.969 4.159 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.321 5.800 1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 7 19.047 4.863 2.753 1.00 0.00 H new ATOM 110 N ASP A 8 10.926 3.409 -1.002 1.00 0.00 N ATOM 111 CA ASP A 8 9.775 2.664 -1.579 1.00 0.00 C ATOM 112 C ASP A 8 8.868 3.590 -2.389 1.00 0.00 C ATOM 113 O ASP A 8 9.182 4.735 -2.652 1.00 0.00 O ATOM 114 CB ASP A 8 8.973 2.035 -0.439 1.00 0.00 C ATOM 115 CG ASP A 8 9.936 1.461 0.604 1.00 0.00 C ATOM 116 OD1 ASP A 8 10.699 0.574 0.250 1.00 0.00 O ATOM 117 OD2 ASP A 8 9.901 1.920 1.735 1.00 0.00 O ATOM 0 H ASP A 8 10.877 3.560 0.006 1.00 0.00 H new ATOM 0 HA ASP A 8 10.157 1.893 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.325 2.782 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.327 1.247 -0.826 1.00 0.00 H new ATOM 122 N TRP A 9 7.729 3.084 -2.765 1.00 0.00 N ATOM 123 CA TRP A 9 6.756 3.878 -3.553 1.00 0.00 C ATOM 124 C TRP A 9 6.242 5.006 -2.675 1.00 0.00 C ATOM 125 O TRP A 9 5.506 4.782 -1.733 1.00 0.00 O ATOM 126 CB TRP A 9 5.590 2.964 -3.942 1.00 0.00 C ATOM 127 CG TRP A 9 6.044 1.936 -4.936 1.00 0.00 C ATOM 128 CD1 TRP A 9 7.148 1.148 -4.823 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.372 1.515 -6.152 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.223 0.321 -5.929 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.143 0.494 -6.771 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.183 1.930 -6.785 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.741 -0.099 -7.977 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.771 1.335 -7.994 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.547 0.322 -8.590 1.00 0.00 C ATOM 0 H TRP A 9 7.428 2.133 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 9 7.221 4.287 -4.450 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.193 2.471 -3.054 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.780 3.557 -4.366 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.851 1.166 -4.003 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.984 -0.336 -6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.583 2.710 -6.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.343 -0.872 -8.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.855 1.658 -8.466 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.226 -0.131 -9.516 1.00 0.00 H new ATOM 146 N HIS A 10 6.628 6.216 -2.969 1.00 0.00 N ATOM 147 CA HIS A 10 6.171 7.367 -2.146 1.00 0.00 C ATOM 148 C HIS A 10 4.678 7.230 -1.875 1.00 0.00 C ATOM 149 O HIS A 10 3.985 6.482 -2.533 1.00 0.00 O ATOM 150 CB HIS A 10 6.428 8.672 -2.895 1.00 0.00 C ATOM 151 CG HIS A 10 7.881 8.761 -3.274 1.00 0.00 C ATOM 152 ND1 HIS A 10 8.890 8.203 -2.504 1.00 0.00 N ATOM 153 CD2 HIS A 10 8.508 9.346 -4.344 1.00 0.00 C ATOM 154 CE1 HIS A 10 10.060 8.461 -3.120 1.00 0.00 C ATOM 155 NE2 HIS A 10 9.882 9.157 -4.246 1.00 0.00 N ATOM 0 H HIS A 10 7.242 6.457 -3.747 1.00 0.00 H new ATOM 0 HA HIS A 10 6.719 7.377 -1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.806 8.718 -3.789 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.152 9.522 -2.270 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.009 9.874 -5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.023 8.144 -2.749 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.600 9.480 -4.895 1.00 0.00 H new ATOM 163 N ARG A 11 4.181 7.934 -0.905 1.00 0.00 N ATOM 164 CA ARG A 11 2.734 7.830 -0.588 1.00 0.00 C ATOM 165 C ARG A 11 1.909 8.109 -1.845 1.00 0.00 C ATOM 166 O ARG A 11 0.805 7.621 -1.994 1.00 0.00 O ATOM 167 CB ARG A 11 2.380 8.860 0.480 1.00 0.00 C ATOM 168 CG ARG A 11 3.098 8.506 1.781 1.00 0.00 C ATOM 169 CD ARG A 11 2.611 9.419 2.906 1.00 0.00 C ATOM 170 NE ARG A 11 2.841 10.848 2.543 1.00 0.00 N ATOM 171 CZ ARG A 11 2.193 11.786 3.178 1.00 0.00 C ATOM 172 NH1 ARG A 11 1.333 11.470 4.107 1.00 0.00 N ATOM 173 NH2 ARG A 11 2.404 13.041 2.886 1.00 0.00 N ATOM 0 H ARG A 11 4.712 8.577 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 11 2.514 6.826 -0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.671 9.857 0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.302 8.879 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.910 7.464 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.175 8.613 1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.550 9.249 3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.137 9.182 3.831 1.00 0.00 H new ATOM 0 HE ARG A 11 3.500 11.090 1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.167 10.490 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.826 12.203 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.076 13.290 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.896 13.773 3.383 1.00 0.00 H new ATOM 187 N ALA A 12 2.421 8.905 -2.743 1.00 0.00 N ATOM 188 CA ALA A 12 1.657 9.228 -3.981 1.00 0.00 C ATOM 189 C ALA A 12 1.954 8.185 -5.057 1.00 0.00 C ATOM 190 O ALA A 12 1.147 7.940 -5.925 1.00 0.00 O ATOM 191 CB ALA A 12 2.066 10.604 -4.486 1.00 0.00 C ATOM 0 H ALA A 12 3.338 9.347 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 12 0.590 9.223 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.507 10.840 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.851 11.351 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.133 10.608 -4.707 1.00 0.00 H new ATOM 197 N ASP A 13 3.099 7.565 -5.007 1.00 0.00 N ATOM 198 CA ASP A 13 3.426 6.533 -6.029 1.00 0.00 C ATOM 199 C ASP A 13 2.497 5.340 -5.806 1.00 0.00 C ATOM 200 O ASP A 13 2.208 4.581 -6.711 1.00 0.00 O ATOM 201 CB ASP A 13 4.883 6.093 -5.864 1.00 0.00 C ATOM 202 CG ASP A 13 5.825 7.242 -6.236 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.335 8.334 -6.470 1.00 0.00 O ATOM 204 OD2 ASP A 13 7.021 7.006 -6.278 1.00 0.00 O ATOM 0 H ASP A 13 3.821 7.727 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 13 3.293 6.934 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.063 5.783 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.084 5.228 -6.497 1.00 0.00 H new ATOM 209 N VAL A 14 2.008 5.195 -4.602 1.00 0.00 N ATOM 210 CA VAL A 14 1.074 4.077 -4.291 1.00 0.00 C ATOM 211 C VAL A 14 -0.308 4.439 -4.820 1.00 0.00 C ATOM 212 O VAL A 14 -0.896 3.727 -5.607 1.00 0.00 O ATOM 213 CB VAL A 14 0.997 3.895 -2.764 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.109 2.895 -2.398 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.339 3.384 -2.237 1.00 0.00 C ATOM 0 H VAL A 14 2.219 5.810 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 14 1.424 3.154 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 14 0.767 4.859 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.150 2.778 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.068 3.265 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.105 1.931 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.281 3.256 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.572 2.427 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.122 4.104 -2.476 1.00 0.00 H new ATOM 225 N ILE A 15 -0.832 5.545 -4.379 1.00 0.00 N ATOM 226 CA ILE A 15 -2.184 5.957 -4.828 1.00 0.00 C ATOM 227 C ILE A 15 -2.144 6.494 -6.260 1.00 0.00 C ATOM 228 O ILE A 15 -2.923 6.096 -7.091 1.00 0.00 O ATOM 229 CB ILE A 15 -2.715 7.047 -3.896 1.00 0.00 C ATOM 230 CG1 ILE A 15 -2.628 6.574 -2.422 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.174 7.323 -4.262 1.00 0.00 C ATOM 232 CD1 ILE A 15 -2.470 7.778 -1.487 1.00 0.00 C ATOM 0 H ILE A 15 -0.379 6.183 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.839 5.086 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.119 7.953 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.526 6.015 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.783 5.896 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.573 8.099 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.232 7.656 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.758 6.411 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.410 7.432 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.559 8.319 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.329 8.440 -1.598 1.00 0.00 H new ATOM 244 N ALA A 16 -1.259 7.402 -6.562 1.00 0.00 N ATOM 245 CA ALA A 16 -1.214 7.945 -7.952 1.00 0.00 C ATOM 246 C ALA A 16 -1.093 6.778 -8.931 1.00 0.00 C ATOM 247 O ALA A 16 -1.768 6.722 -9.938 1.00 0.00 O ATOM 248 CB ALA A 16 -0.011 8.881 -8.117 1.00 0.00 C ATOM 0 H ALA A 16 -0.571 7.790 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.125 8.510 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.010 9.270 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.095 9.709 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.909 8.330 -7.920 1.00 0.00 H new ATOM 254 N GLY A 17 -0.229 5.847 -8.631 1.00 0.00 N ATOM 255 CA GLY A 17 -0.037 4.674 -9.529 1.00 0.00 C ATOM 256 C GLY A 17 -1.268 3.767 -9.492 1.00 0.00 C ATOM 257 O GLY A 17 -1.735 3.297 -10.511 1.00 0.00 O ATOM 0 H GLY A 17 0.356 5.849 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.141 5.014 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.845 4.113 -9.221 1.00 0.00 H new ATOM 261 N LEU A 18 -1.788 3.504 -8.327 1.00 0.00 N ATOM 262 CA LEU A 18 -2.981 2.612 -8.229 1.00 0.00 C ATOM 263 C LEU A 18 -4.205 3.307 -8.841 1.00 0.00 C ATOM 264 O LEU A 18 -4.864 2.770 -9.707 1.00 0.00 O ATOM 265 CB LEU A 18 -3.254 2.297 -6.750 1.00 0.00 C ATOM 266 CG LEU A 18 -2.278 1.219 -6.239 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.326 1.185 -4.709 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.657 -0.172 -6.790 1.00 0.00 C ATOM 0 H LEU A 18 -1.441 3.866 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.789 1.688 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.149 3.203 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.281 1.953 -6.629 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.273 1.466 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.638 0.424 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.036 2.159 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.338 0.948 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.954 -0.916 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.665 -0.430 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.620 -0.154 -7.879 1.00 0.00 H new ATOM 280 N LYS A 19 -4.519 4.487 -8.383 1.00 0.00 N ATOM 281 CA LYS A 19 -5.711 5.215 -8.921 1.00 0.00 C ATOM 282 C LYS A 19 -5.590 5.358 -10.428 1.00 0.00 C ATOM 283 O LYS A 19 -6.562 5.570 -11.121 1.00 0.00 O ATOM 284 CB LYS A 19 -5.770 6.627 -8.308 1.00 0.00 C ATOM 285 CG LYS A 19 -6.494 6.597 -6.962 1.00 0.00 C ATOM 286 CD LYS A 19 -6.720 8.038 -6.454 1.00 0.00 C ATOM 287 CE LYS A 19 -8.059 8.586 -6.973 1.00 0.00 C ATOM 288 NZ LYS A 19 -9.187 7.799 -6.394 1.00 0.00 N ATOM 0 H LYS A 19 -4.002 4.983 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.610 4.652 -8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.760 7.015 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.285 7.304 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.450 6.084 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.907 6.034 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.712 8.051 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.904 8.680 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.161 9.637 -6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.087 8.532 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.059 8.365 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.319 6.926 -6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.970 7.557 -5.406 1.00 0.00 H new ATOM 302 N LYS A 20 -4.405 5.272 -10.939 1.00 0.00 N ATOM 303 CA LYS A 20 -4.236 5.440 -12.402 1.00 0.00 C ATOM 304 C LYS A 20 -5.144 4.459 -13.116 1.00 0.00 C ATOM 305 O LYS A 20 -5.619 4.711 -14.203 1.00 0.00 O ATOM 306 CB LYS A 20 -2.774 5.210 -12.792 1.00 0.00 C ATOM 307 CG LYS A 20 -2.573 5.544 -14.278 1.00 0.00 C ATOM 308 CD LYS A 20 -1.108 5.293 -14.684 1.00 0.00 C ATOM 309 CE LYS A 20 -0.239 6.507 -14.323 1.00 0.00 C ATOM 310 NZ LYS A 20 1.177 6.243 -14.711 1.00 0.00 N ATOM 0 H LYS A 20 -3.549 5.094 -10.414 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.506 6.455 -12.693 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.122 5.832 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.496 4.173 -12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.238 4.933 -14.889 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.837 6.585 -14.464 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.731 4.404 -14.179 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.048 5.100 -15.755 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.607 7.396 -14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.302 6.707 -13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.763 7.066 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.526 5.405 -14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.230 6.073 -15.736 1.00 0.00 H new ATOM 324 N ARG A 21 -5.430 3.359 -12.489 1.00 0.00 N ATOM 325 CA ARG A 21 -6.352 2.377 -13.099 1.00 0.00 C ATOM 326 C ARG A 21 -7.722 2.683 -12.522 1.00 0.00 C ATOM 327 O ARG A 21 -8.416 3.564 -12.992 1.00 0.00 O ATOM 328 CB ARG A 21 -5.908 0.957 -12.714 1.00 0.00 C ATOM 329 CG ARG A 21 -4.682 0.553 -13.541 1.00 0.00 C ATOM 330 CD ARG A 21 -4.471 -0.958 -13.449 1.00 0.00 C ATOM 331 NE ARG A 21 -5.661 -1.658 -14.005 1.00 0.00 N ATOM 332 CZ ARG A 21 -5.584 -2.923 -14.311 1.00 0.00 C ATOM 333 NH1 ARG A 21 -4.461 -3.565 -14.142 1.00 0.00 N ATOM 334 NH2 ARG A 21 -6.623 -3.538 -14.806 1.00 0.00 N ATOM 0 H ARG A 21 -5.061 3.098 -11.574 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.362 2.438 -14.187 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.670 0.916 -11.651 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.722 0.253 -12.886 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.820 0.847 -14.581 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.798 1.076 -13.177 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.576 -1.246 -14.000 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.314 -1.252 -12.411 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.534 -1.150 -14.146 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.646 -3.077 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.398 -4.555 -14.381 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.495 -3.029 -14.953 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.564 -4.528 -15.046 1.00 0.00 H new ATOM 348 N LYS A 22 -8.114 1.994 -11.494 1.00 0.00 N ATOM 349 CA LYS A 22 -9.431 2.299 -10.871 1.00 0.00 C ATOM 350 C LYS A 22 -9.419 1.838 -9.400 1.00 0.00 C ATOM 351 O LYS A 22 -10.349 1.204 -8.941 1.00 0.00 O ATOM 352 CB LYS A 22 -10.550 1.581 -11.665 1.00 0.00 C ATOM 353 CG LYS A 22 -11.738 2.527 -11.898 1.00 0.00 C ATOM 354 CD LYS A 22 -12.394 2.884 -10.556 1.00 0.00 C ATOM 355 CE LYS A 22 -13.415 4.003 -10.763 1.00 0.00 C ATOM 356 NZ LYS A 22 -14.391 3.589 -11.806 1.00 0.00 N ATOM 0 H LYS A 22 -7.586 1.238 -11.058 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.620 3.372 -10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.160 1.235 -12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.882 0.698 -11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.399 3.434 -12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.468 2.053 -12.555 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.883 2.006 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.634 3.200 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.933 4.216 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.910 4.921 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.227 4.206 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.950 3.668 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.679 2.603 -11.640 1.00 0.00 H new ATOM 370 N LEU A 23 -8.374 2.137 -8.660 1.00 0.00 N ATOM 371 CA LEU A 23 -8.314 1.684 -7.222 1.00 0.00 C ATOM 372 C LEU A 23 -8.014 2.860 -6.284 1.00 0.00 C ATOM 373 O LEU A 23 -7.334 3.802 -6.635 1.00 0.00 O ATOM 374 CB LEU A 23 -7.184 0.664 -7.059 1.00 0.00 C ATOM 375 CG LEU A 23 -7.352 -0.545 -7.991 1.00 0.00 C ATOM 376 CD1 LEU A 23 -6.033 -1.317 -8.012 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.451 -1.483 -7.477 1.00 0.00 C ATOM 0 H LEU A 23 -7.566 2.670 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.281 1.250 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.229 1.148 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.153 0.321 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.626 -0.192 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.128 -2.182 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.238 -0.668 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.791 -1.652 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.551 -2.331 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.187 -1.842 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.397 -0.943 -7.429 1.00 0.00 H new ATOM 389 N SER A 24 -8.509 2.787 -5.074 1.00 0.00 N ATOM 390 CA SER A 24 -8.254 3.869 -4.076 1.00 0.00 C ATOM 391 C SER A 24 -8.273 3.277 -2.665 1.00 0.00 C ATOM 392 O SER A 24 -9.224 2.625 -2.279 1.00 0.00 O ATOM 393 CB SER A 24 -9.341 4.928 -4.182 1.00 0.00 C ATOM 394 OG SER A 24 -10.609 4.292 -4.190 1.00 0.00 O ATOM 0 H SER A 24 -9.084 2.017 -4.733 1.00 0.00 H new ATOM 0 HA SER A 24 -7.281 4.319 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.273 5.622 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.208 5.514 -5.092 1.00 0.00 H new ATOM 0 HG SER A 24 -11.314 4.969 -4.256 1.00 0.00 H new ATOM 400 N LEU A 25 -7.235 3.496 -1.898 1.00 0.00 N ATOM 401 CA LEU A 25 -7.179 2.946 -0.501 1.00 0.00 C ATOM 402 C LEU A 25 -8.568 3.009 0.166 1.00 0.00 C ATOM 403 O LEU A 25 -8.949 2.130 0.916 1.00 0.00 O ATOM 404 CB LEU A 25 -6.205 3.779 0.339 1.00 0.00 C ATOM 405 CG LEU A 25 -4.815 3.816 -0.317 1.00 0.00 C ATOM 406 CD1 LEU A 25 -3.972 4.909 0.342 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.102 2.468 -0.140 1.00 0.00 C ATOM 0 H LEU A 25 -6.416 4.036 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.849 1.909 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.588 4.794 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.128 3.357 1.341 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.937 4.021 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.986 4.937 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.462 5.874 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.867 4.696 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.120 2.512 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.987 2.254 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.693 1.680 -0.607 1.00 0.00 H new ATOM 419 N SER A 26 -9.316 4.049 -0.096 1.00 0.00 N ATOM 420 CA SER A 26 -10.670 4.186 0.528 1.00 0.00 C ATOM 421 C SER A 26 -11.665 3.219 -0.116 1.00 0.00 C ATOM 422 O SER A 26 -12.469 2.601 0.555 1.00 0.00 O ATOM 423 CB SER A 26 -11.177 5.613 0.328 1.00 0.00 C ATOM 424 OG SER A 26 -10.210 6.531 0.820 1.00 0.00 O ATOM 0 H SER A 26 -9.048 4.813 -0.717 1.00 0.00 H new ATOM 0 HA SER A 26 -10.585 3.955 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.366 5.799 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.124 5.751 0.850 1.00 0.00 H new ATOM 0 HG SER A 26 -10.533 7.447 0.691 1.00 0.00 H new ATOM 430 N ALA A 27 -11.640 3.099 -1.411 1.00 0.00 N ATOM 431 CA ALA A 27 -12.605 2.191 -2.083 1.00 0.00 C ATOM 432 C ALA A 27 -12.303 0.733 -1.725 1.00 0.00 C ATOM 433 O ALA A 27 -13.198 -0.038 -1.445 1.00 0.00 O ATOM 434 CB ALA A 27 -12.501 2.371 -3.594 1.00 0.00 C ATOM 0 H ALA A 27 -10.995 3.589 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.613 2.436 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.208 1.706 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.732 3.404 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.489 2.132 -3.920 1.00 0.00 H new ATOM 440 N LEU A 28 -11.054 0.342 -1.730 1.00 0.00 N ATOM 441 CA LEU A 28 -10.723 -1.071 -1.394 1.00 0.00 C ATOM 442 C LEU A 28 -11.163 -1.353 0.039 1.00 0.00 C ATOM 443 O LEU A 28 -11.439 -2.475 0.411 1.00 0.00 O ATOM 444 CB LEU A 28 -9.207 -1.294 -1.545 1.00 0.00 C ATOM 445 CG LEU A 28 -8.859 -1.500 -3.026 1.00 0.00 C ATOM 446 CD1 LEU A 28 -9.489 -0.384 -3.872 1.00 0.00 C ATOM 447 CD2 LEU A 28 -7.337 -1.478 -3.201 1.00 0.00 C ATOM 0 H LEU A 28 -10.256 0.937 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.243 -1.750 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.662 -0.437 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.898 -2.163 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.251 -2.462 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.238 -0.537 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.572 -0.404 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.105 0.582 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.089 -1.624 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.946 -0.517 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.891 -2.277 -2.609 1.00 0.00 H new ATOM 459 N SER A 29 -11.244 -0.333 0.834 1.00 0.00 N ATOM 460 CA SER A 29 -11.674 -0.511 2.247 1.00 0.00 C ATOM 461 C SER A 29 -13.131 -0.986 2.303 1.00 0.00 C ATOM 462 O SER A 29 -13.457 -1.931 2.996 1.00 0.00 O ATOM 463 CB SER A 29 -11.566 0.831 2.960 1.00 0.00 C ATOM 464 OG SER A 29 -12.770 1.566 2.761 1.00 0.00 O ATOM 0 H SER A 29 -11.029 0.628 0.567 1.00 0.00 H new ATOM 0 HA SER A 29 -11.038 -1.255 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.392 0.677 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.715 1.393 2.575 1.00 0.00 H new ATOM 0 HG SER A 29 -12.586 2.350 2.203 1.00 0.00 H new ATOM 470 N ARG A 30 -14.014 -0.325 1.596 1.00 0.00 N ATOM 471 CA ARG A 30 -15.450 -0.738 1.622 1.00 0.00 C ATOM 472 C ARG A 30 -15.604 -2.083 0.898 1.00 0.00 C ATOM 473 O ARG A 30 -16.523 -2.837 1.154 1.00 0.00 O ATOM 474 CB ARG A 30 -16.325 0.340 0.941 1.00 0.00 C ATOM 475 CG ARG A 30 -15.641 1.702 1.036 1.00 0.00 C ATOM 476 CD ARG A 30 -16.632 2.796 0.646 1.00 0.00 C ATOM 477 NE ARG A 30 -15.914 4.094 0.566 1.00 0.00 N ATOM 478 CZ ARG A 30 -16.480 5.110 -0.012 1.00 0.00 C ATOM 479 NH1 ARG A 30 -17.682 4.990 -0.505 1.00 0.00 N ATOM 480 NH2 ARG A 30 -15.839 6.242 -0.097 1.00 0.00 N ATOM 0 H ARG A 30 -13.803 0.479 1.005 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.778 -0.846 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.491 0.079 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.304 0.381 1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.279 1.869 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.772 1.732 0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.093 2.561 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.436 2.855 1.380 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.979 4.187 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.175 4.100 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.129 5.786 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.899 6.326 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.278 7.044 -0.550 1.00 0.00 H new ATOM 494 N GLN A 31 -14.719 -2.382 -0.012 1.00 0.00 N ATOM 495 CA GLN A 31 -14.829 -3.663 -0.758 1.00 0.00 C ATOM 496 C GLN A 31 -14.589 -4.865 0.167 1.00 0.00 C ATOM 497 O GLN A 31 -15.097 -5.938 -0.090 1.00 0.00 O ATOM 498 CB GLN A 31 -13.803 -3.679 -1.907 1.00 0.00 C ATOM 499 CG GLN A 31 -14.198 -2.660 -3.019 1.00 0.00 C ATOM 500 CD GLN A 31 -14.100 -3.306 -4.412 1.00 0.00 C ATOM 501 OE1 GLN A 31 -15.096 -3.715 -4.972 1.00 0.00 O ATOM 502 NE2 GLN A 31 -12.941 -3.400 -5.001 1.00 0.00 N ATOM 0 H GLN A 31 -13.926 -1.795 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.839 -3.740 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.814 -3.436 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.742 -4.681 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.214 -2.305 -2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.544 -1.790 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.102 -3.057 -4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.873 -3.816 -5.930 1.00 0.00 H new ATOM 511 N PHE A 32 -13.827 -4.718 1.232 1.00 0.00 N ATOM 512 CA PHE A 32 -13.571 -5.890 2.147 1.00 0.00 C ATOM 513 C PHE A 32 -14.315 -5.701 3.473 1.00 0.00 C ATOM 514 O PHE A 32 -14.715 -6.662 4.104 1.00 0.00 O ATOM 515 CB PHE A 32 -12.060 -6.017 2.389 1.00 0.00 C ATOM 516 CG PHE A 32 -11.418 -6.644 1.167 1.00 0.00 C ATOM 517 CD1 PHE A 32 -11.090 -5.840 0.060 1.00 0.00 C ATOM 518 CD2 PHE A 32 -11.175 -8.033 1.126 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.520 -6.419 -1.089 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.599 -8.609 -0.024 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.274 -7.803 -1.132 1.00 0.00 C ATOM 0 H PHE A 32 -13.374 -3.846 1.507 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.939 -6.804 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.625 -5.036 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.870 -6.629 3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.276 -4.777 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.430 -8.653 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.271 -5.800 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.406 -9.671 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.836 -8.247 -2.014 1.00 0.00 H new ATOM 531 N GLY A 33 -14.525 -4.476 3.896 1.00 0.00 N ATOM 532 CA GLY A 33 -15.265 -4.224 5.177 1.00 0.00 C ATOM 533 C GLY A 33 -14.488 -3.249 6.054 1.00 0.00 C ATOM 534 O GLY A 33 -15.026 -2.269 6.529 1.00 0.00 O ATOM 0 H GLY A 33 -14.215 -3.636 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.254 -3.820 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.414 -5.163 5.710 1.00 0.00 H new ATOM 538 N TYR A 34 -13.234 -3.512 6.286 1.00 0.00 N ATOM 539 CA TYR A 34 -12.434 -2.601 7.153 1.00 0.00 C ATOM 540 C TYR A 34 -12.677 -1.139 6.753 1.00 0.00 C ATOM 541 O TYR A 34 -12.551 -0.764 5.606 1.00 0.00 O ATOM 542 CB TYR A 34 -10.946 -2.944 7.020 1.00 0.00 C ATOM 543 CG TYR A 34 -10.784 -4.445 7.024 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.255 -5.189 8.120 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.179 -5.102 5.934 1.00 0.00 C ATOM 546 CE1 TYR A 34 -11.122 -6.585 8.135 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.047 -6.505 5.950 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.519 -7.247 7.052 1.00 0.00 C ATOM 549 OH TYR A 34 -10.394 -8.619 7.070 1.00 0.00 O ATOM 0 H TYR A 34 -12.728 -4.316 5.915 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.742 -2.732 8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.544 -2.525 6.098 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.383 -2.503 7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.721 -4.684 8.953 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.818 -4.533 5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.484 -7.152 8.980 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.584 -7.013 5.117 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.956 -8.918 6.246 1.00 0.00 H new ATOM 559 N ALA A 35 -13.035 -0.314 7.699 1.00 0.00 N ATOM 560 CA ALA A 35 -13.291 1.124 7.394 1.00 0.00 C ATOM 561 C ALA A 35 -12.088 1.700 6.603 1.00 0.00 C ATOM 562 O ALA A 35 -11.023 1.118 6.613 1.00 0.00 O ATOM 563 CB ALA A 35 -13.468 1.887 8.731 1.00 0.00 C ATOM 0 H ALA A 35 -13.162 -0.576 8.677 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.193 1.232 6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.656 2.941 8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.311 1.468 9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.561 1.790 9.328 1.00 0.00 H new ATOM 569 N PRO A 36 -12.283 2.844 5.965 1.00 0.00 N ATOM 570 CA PRO A 36 -11.200 3.511 5.199 1.00 0.00 C ATOM 571 C PRO A 36 -9.982 3.792 6.107 1.00 0.00 C ATOM 572 O PRO A 36 -8.864 3.902 5.644 1.00 0.00 O ATOM 573 CB PRO A 36 -11.838 4.829 4.683 1.00 0.00 C ATOM 574 CG PRO A 36 -13.287 4.903 5.253 1.00 0.00 C ATOM 575 CD PRO A 36 -13.580 3.558 5.949 1.00 0.00 C ATOM 0 HA PRO A 36 -10.827 2.894 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.254 5.690 5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.853 4.847 3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.380 5.728 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.005 5.085 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.959 3.711 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.337 2.990 5.408 1.00 0.00 H new ATOM 583 N THR A 37 -10.198 3.921 7.391 1.00 0.00 N ATOM 584 CA THR A 37 -9.060 4.206 8.322 1.00 0.00 C ATOM 585 C THR A 37 -8.087 3.027 8.368 1.00 0.00 C ATOM 586 O THR A 37 -6.886 3.203 8.361 1.00 0.00 O ATOM 587 CB THR A 37 -9.604 4.450 9.737 1.00 0.00 C ATOM 588 OG1 THR A 37 -10.385 3.342 10.150 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.472 5.702 9.764 1.00 0.00 C ATOM 0 H THR A 37 -11.112 3.842 7.837 1.00 0.00 H new ATOM 0 HA THR A 37 -8.534 5.089 7.959 1.00 0.00 H new ATOM 0 HB THR A 37 -8.759 4.581 10.412 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.728 3.502 11.054 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.850 5.861 10.774 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.878 6.563 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.310 5.578 9.078 1.00 0.00 H new ATOM 597 N THR A 38 -8.588 1.832 8.436 1.00 0.00 N ATOM 598 CA THR A 38 -7.690 0.647 8.502 1.00 0.00 C ATOM 599 C THR A 38 -6.735 0.642 7.301 1.00 0.00 C ATOM 600 O THR A 38 -5.525 0.640 7.453 1.00 0.00 O ATOM 601 CB THR A 38 -8.558 -0.616 8.494 1.00 0.00 C ATOM 602 OG1 THR A 38 -9.258 -0.717 9.727 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.687 -1.857 8.314 1.00 0.00 C ATOM 0 H THR A 38 -9.586 1.620 8.449 1.00 0.00 H new ATOM 0 HA THR A 38 -7.091 0.681 9.412 1.00 0.00 H new ATOM 0 HB THR A 38 -9.264 -0.551 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.815 -1.524 9.722 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.317 -2.746 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.149 -1.790 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.972 -1.922 9.135 1.00 0.00 H new ATOM 611 N LEU A 39 -7.264 0.634 6.106 1.00 0.00 N ATOM 612 CA LEU A 39 -6.386 0.616 4.903 1.00 0.00 C ATOM 613 C LEU A 39 -5.305 1.693 5.057 1.00 0.00 C ATOM 614 O LEU A 39 -4.126 1.409 4.992 1.00 0.00 O ATOM 615 CB LEU A 39 -7.249 0.868 3.634 1.00 0.00 C ATOM 616 CG LEU A 39 -6.953 -0.173 2.528 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.429 -0.339 2.314 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.590 -1.529 2.903 1.00 0.00 C ATOM 0 H LEU A 39 -8.265 0.639 5.913 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.899 -0.354 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.306 0.829 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.053 1.870 3.253 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.387 0.183 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.250 -1.076 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.997 0.617 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.966 -0.675 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.379 -2.259 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.173 -1.878 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.668 -1.408 3.005 1.00 0.00 H new ATOM 630 N ALA A 40 -5.685 2.923 5.255 1.00 0.00 N ATOM 631 CA ALA A 40 -4.664 4.000 5.416 1.00 0.00 C ATOM 632 C ALA A 40 -3.710 3.644 6.569 1.00 0.00 C ATOM 633 O ALA A 40 -2.504 3.712 6.438 1.00 0.00 O ATOM 634 CB ALA A 40 -5.367 5.318 5.731 1.00 0.00 C ATOM 0 H ALA A 40 -6.656 3.231 5.313 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.093 4.098 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.625 6.107 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.042 5.574 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.937 5.215 6.654 1.00 0.00 H new ATOM 640 N ASN A 41 -4.252 3.266 7.697 1.00 0.00 N ATOM 641 CA ASN A 41 -3.406 2.906 8.875 1.00 0.00 C ATOM 642 C ASN A 41 -2.410 1.792 8.508 1.00 0.00 C ATOM 643 O ASN A 41 -1.544 1.442 9.289 1.00 0.00 O ATOM 644 CB ASN A 41 -4.312 2.427 10.016 1.00 0.00 C ATOM 645 CG ASN A 41 -5.273 3.554 10.418 1.00 0.00 C ATOM 646 OD1 ASN A 41 -5.019 4.710 10.141 1.00 0.00 O ATOM 647 ND2 ASN A 41 -6.373 3.262 11.058 1.00 0.00 N ATOM 0 H ASN A 41 -5.257 3.190 7.855 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.843 3.785 9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.876 1.549 9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.708 2.128 10.872 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.020 4.004 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.586 2.292 11.290 1.00 0.00 H new ATOM 654 N ALA A 42 -2.523 1.225 7.333 1.00 0.00 N ATOM 655 CA ALA A 42 -1.574 0.138 6.940 1.00 0.00 C ATOM 656 C ALA A 42 -0.196 0.735 6.653 1.00 0.00 C ATOM 657 O ALA A 42 0.810 0.055 6.709 1.00 0.00 O ATOM 658 CB ALA A 42 -2.079 -0.569 5.673 1.00 0.00 C ATOM 0 H ALA A 42 -3.225 1.465 6.634 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.506 -0.579 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.381 -1.359 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.060 -1.003 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.154 0.152 4.859 1.00 0.00 H new ATOM 664 N LEU A 43 -0.135 1.997 6.327 1.00 0.00 N ATOM 665 CA LEU A 43 1.180 2.630 6.025 1.00 0.00 C ATOM 666 C LEU A 43 1.852 3.086 7.318 1.00 0.00 C ATOM 667 O LEU A 43 3.058 3.257 7.376 1.00 0.00 O ATOM 668 CB LEU A 43 0.959 3.859 5.137 1.00 0.00 C ATOM 669 CG LEU A 43 0.233 3.459 3.838 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.488 4.673 3.239 1.00 0.00 C ATOM 671 CD2 LEU A 43 1.251 2.920 2.822 1.00 0.00 C ATOM 0 H LEU A 43 -0.941 2.618 6.257 1.00 0.00 H new ATOM 0 HA LEU A 43 1.812 1.901 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.372 4.603 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.917 4.320 4.898 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.500 2.686 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.997 4.378 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.219 5.051 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.239 5.454 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.735 2.638 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.988 3.692 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.754 2.047 3.239 1.00 0.00 H new ATOM 683 N GLU A 44 1.078 3.321 8.348 1.00 0.00 N ATOM 684 CA GLU A 44 1.656 3.809 9.640 1.00 0.00 C ATOM 685 C GLU A 44 1.878 2.647 10.624 1.00 0.00 C ATOM 686 O GLU A 44 2.999 2.329 10.984 1.00 0.00 O ATOM 687 CB GLU A 44 0.678 4.820 10.263 1.00 0.00 C ATOM 688 CG GLU A 44 0.565 6.101 9.388 1.00 0.00 C ATOM 689 CD GLU A 44 -0.738 6.088 8.580 1.00 0.00 C ATOM 690 OE1 GLU A 44 -1.768 6.390 9.161 1.00 0.00 O ATOM 691 OE2 GLU A 44 -0.681 5.797 7.396 1.00 0.00 O ATOM 0 H GLU A 44 0.066 3.195 8.350 1.00 0.00 H new ATOM 0 HA GLU A 44 2.621 4.275 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.305 4.361 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.016 5.088 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.597 6.986 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.418 6.163 8.712 1.00 0.00 H new ATOM 698 N ARG A 45 0.820 2.026 11.086 1.00 0.00 N ATOM 699 CA ARG A 45 0.959 0.905 12.066 1.00 0.00 C ATOM 700 C ARG A 45 1.455 -0.355 11.355 1.00 0.00 C ATOM 701 O ARG A 45 1.171 -0.585 10.196 1.00 0.00 O ATOM 702 CB ARG A 45 -0.412 0.612 12.701 1.00 0.00 C ATOM 703 CG ARG A 45 -0.681 1.585 13.852 1.00 0.00 C ATOM 704 CD ARG A 45 -0.764 3.018 13.316 1.00 0.00 C ATOM 705 NE ARG A 45 -1.487 3.868 14.304 1.00 0.00 N ATOM 706 CZ ARG A 45 -1.406 5.173 14.235 1.00 0.00 C ATOM 707 NH1 ARG A 45 -0.663 5.737 13.326 1.00 0.00 N ATOM 708 NH2 ARG A 45 -2.080 5.914 15.074 1.00 0.00 N ATOM 0 H ARG A 45 -0.140 2.250 10.824 1.00 0.00 H new ATOM 0 HA ARG A 45 1.676 1.193 12.835 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.196 0.702 11.949 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.439 -0.414 13.069 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.612 1.321 14.353 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.113 1.511 14.595 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.237 3.413 13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.283 3.031 12.358 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.047 3.432 15.036 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.142 5.162 12.665 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.603 6.754 13.276 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.669 5.476 15.782 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.017 6.931 15.021 1.00 0.00 H new ATOM 722 N HIS A 46 2.173 -1.187 12.064 1.00 0.00 N ATOM 723 CA HIS A 46 2.682 -2.453 11.465 1.00 0.00 C ATOM 724 C HIS A 46 1.507 -3.392 11.173 1.00 0.00 C ATOM 725 O HIS A 46 0.866 -3.903 12.070 1.00 0.00 O ATOM 726 CB HIS A 46 3.646 -3.122 12.451 1.00 0.00 C ATOM 727 CG HIS A 46 2.924 -3.513 13.720 1.00 0.00 C ATOM 728 ND1 HIS A 46 2.107 -2.639 14.429 1.00 0.00 N ATOM 729 CD2 HIS A 46 2.904 -4.690 14.421 1.00 0.00 C ATOM 730 CE1 HIS A 46 1.637 -3.306 15.503 1.00 0.00 C ATOM 731 NE2 HIS A 46 2.094 -4.561 15.541 1.00 0.00 N ATOM 0 H HIS A 46 2.430 -1.041 13.040 1.00 0.00 H new ATOM 0 HA HIS A 46 3.205 -2.235 10.534 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.089 -4.006 11.992 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.464 -2.441 12.687 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.439 -5.586 14.143 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.974 -2.879 16.241 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.891 -5.272 16.243 1.00 0.00 H new ATOM 739 N TRP A 47 1.238 -3.634 9.916 1.00 0.00 N ATOM 740 CA TRP A 47 0.124 -4.547 9.525 1.00 0.00 C ATOM 741 C TRP A 47 0.315 -4.933 8.041 1.00 0.00 C ATOM 742 O TRP A 47 -0.395 -4.447 7.187 1.00 0.00 O ATOM 743 CB TRP A 47 -1.223 -3.834 9.712 1.00 0.00 C ATOM 744 CG TRP A 47 -2.345 -4.770 9.357 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.477 -6.047 9.807 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.500 -4.524 8.494 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.626 -6.598 9.270 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.294 -5.705 8.452 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.928 -3.403 7.745 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.474 -5.766 7.692 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.113 -3.464 6.981 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.882 -4.644 6.956 1.00 0.00 C ATOM 0 H TRP A 47 1.752 -3.231 9.132 1.00 0.00 H new ATOM 0 HA TRP A 47 0.132 -5.441 10.149 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.328 -3.500 10.744 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.265 -2.945 9.083 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.794 -6.550 10.476 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.943 -7.550 9.455 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.344 -2.495 7.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.063 -6.671 7.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.432 -2.602 6.413 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.788 -4.685 6.369 1.00 0.00 H new ATOM 763 N PRO A 48 1.305 -5.771 7.778 1.00 0.00 N ATOM 764 CA PRO A 48 1.628 -6.215 6.400 1.00 0.00 C ATOM 765 C PRO A 48 0.422 -6.866 5.686 1.00 0.00 C ATOM 766 O PRO A 48 0.375 -6.919 4.472 1.00 0.00 O ATOM 767 CB PRO A 48 2.786 -7.228 6.577 1.00 0.00 C ATOM 768 CG PRO A 48 3.266 -7.124 8.052 1.00 0.00 C ATOM 769 CD PRO A 48 2.201 -6.318 8.824 1.00 0.00 C ATOM 0 HA PRO A 48 1.901 -5.370 5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.450 -8.240 6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.602 -7.004 5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.388 -8.116 8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.236 -6.630 8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.654 -6.953 9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.657 -5.520 9.410 1.00 0.00 H new ATOM 777 N LYS A 49 -0.554 -7.351 6.400 1.00 0.00 N ATOM 778 CA LYS A 49 -1.718 -7.980 5.711 1.00 0.00 C ATOM 779 C LYS A 49 -2.515 -6.891 4.990 1.00 0.00 C ATOM 780 O LYS A 49 -3.318 -7.162 4.114 1.00 0.00 O ATOM 781 CB LYS A 49 -2.602 -8.678 6.751 1.00 0.00 C ATOM 782 CG LYS A 49 -3.688 -9.550 6.052 1.00 0.00 C ATOM 783 CD LYS A 49 -3.541 -11.022 6.469 1.00 0.00 C ATOM 784 CE LYS A 49 -4.404 -11.904 5.563 1.00 0.00 C ATOM 785 NZ LYS A 49 -5.745 -11.287 5.403 1.00 0.00 N ATOM 0 H LYS A 49 -0.599 -7.341 7.419 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.374 -8.716 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.987 -9.303 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.080 -7.934 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.681 -9.187 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.595 -9.461 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.497 -11.327 6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.843 -11.147 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.927 -12.021 4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.500 -12.901 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.432 -12.016 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.041 -10.860 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.703 -10.552 4.669 1.00 0.00 H new ATOM 799 N GLY A 50 -2.278 -5.655 5.341 1.00 0.00 N ATOM 800 CA GLY A 50 -2.990 -4.532 4.675 1.00 0.00 C ATOM 801 C GLY A 50 -2.326 -4.277 3.327 1.00 0.00 C ATOM 802 O GLY A 50 -2.952 -3.834 2.384 1.00 0.00 O ATOM 0 H GLY A 50 -1.617 -5.376 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.043 -4.778 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.949 -3.636 5.294 1.00 0.00 H new ATOM 806 N GLU A 51 -1.056 -4.567 3.226 1.00 0.00 N ATOM 807 CA GLU A 51 -0.335 -4.368 1.944 1.00 0.00 C ATOM 808 C GLU A 51 -0.807 -5.429 0.957 1.00 0.00 C ATOM 809 O GLU A 51 -0.911 -5.194 -0.231 1.00 0.00 O ATOM 810 CB GLU A 51 1.172 -4.517 2.186 1.00 0.00 C ATOM 811 CG GLU A 51 1.576 -3.679 3.400 1.00 0.00 C ATOM 812 CD GLU A 51 3.067 -3.864 3.686 1.00 0.00 C ATOM 813 OE1 GLU A 51 3.553 -4.965 3.509 1.00 0.00 O ATOM 814 OE2 GLU A 51 3.698 -2.897 4.077 1.00 0.00 O ATOM 0 H GLU A 51 -0.486 -4.937 3.987 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.536 -3.374 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.423 -5.564 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.727 -4.193 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.360 -2.627 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.990 -3.977 4.270 1.00 0.00 H new ATOM 821 N GLN A 52 -1.103 -6.603 1.451 1.00 0.00 N ATOM 822 CA GLN A 52 -1.577 -7.695 0.559 1.00 0.00 C ATOM 823 C GLN A 52 -2.874 -7.255 -0.116 1.00 0.00 C ATOM 824 O GLN A 52 -3.051 -7.420 -1.304 1.00 0.00 O ATOM 825 CB GLN A 52 -1.829 -8.953 1.384 1.00 0.00 C ATOM 826 CG GLN A 52 -0.501 -9.502 1.901 1.00 0.00 C ATOM 827 CD GLN A 52 -0.736 -10.886 2.496 1.00 0.00 C ATOM 828 OE1 GLN A 52 0.045 -11.791 2.288 1.00 0.00 O ATOM 829 NE2 GLN A 52 -1.800 -11.092 3.226 1.00 0.00 N ATOM 0 H GLN A 52 -1.036 -6.850 2.438 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.823 -7.909 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.490 -8.725 2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.332 -9.704 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.225 -9.559 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.085 -8.834 2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.455 -10.330 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.976 -12.015 3.622 1.00 0.00 H new ATOM 838 N ILE A 53 -3.771 -6.677 0.635 1.00 0.00 N ATOM 839 CA ILE A 53 -5.053 -6.206 0.043 1.00 0.00 C ATOM 840 C ILE A 53 -4.738 -5.286 -1.150 1.00 0.00 C ATOM 841 O ILE A 53 -5.256 -5.461 -2.243 1.00 0.00 O ATOM 842 CB ILE A 53 -5.842 -5.436 1.119 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.352 -6.437 2.177 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.032 -4.714 0.470 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.974 -5.703 3.384 1.00 0.00 C ATOM 0 H ILE A 53 -3.670 -6.511 1.636 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.651 -7.049 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.196 -4.697 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.093 -7.098 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.528 -7.065 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.588 -4.170 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.667 -4.013 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.687 -5.445 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.325 -6.434 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.224 -5.061 3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.814 -5.095 3.047 1.00 0.00 H new ATOM 857 N ILE A 54 -3.890 -4.314 -0.956 1.00 0.00 N ATOM 858 CA ILE A 54 -3.539 -3.384 -2.067 1.00 0.00 C ATOM 859 C ILE A 54 -2.830 -4.153 -3.185 1.00 0.00 C ATOM 860 O ILE A 54 -3.270 -4.169 -4.319 1.00 0.00 O ATOM 861 CB ILE A 54 -2.599 -2.289 -1.524 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.397 -1.374 -0.585 1.00 0.00 C ATOM 863 CG2 ILE A 54 -2.018 -1.472 -2.685 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.459 -0.423 0.181 1.00 0.00 C ATOM 0 H ILE A 54 -3.422 -4.123 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.448 -2.933 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.775 -2.748 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.118 -0.794 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.966 -1.978 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.355 -0.701 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.456 -2.130 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.829 -1.003 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.047 0.216 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.755 -1.006 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.910 0.196 -0.529 1.00 0.00 H new ATOM 876 N ALA A 55 -1.728 -4.767 -2.875 1.00 0.00 N ATOM 877 CA ALA A 55 -0.961 -5.516 -3.912 1.00 0.00 C ATOM 878 C ALA A 55 -1.846 -6.568 -4.584 1.00 0.00 C ATOM 879 O ALA A 55 -1.678 -6.883 -5.744 1.00 0.00 O ATOM 880 CB ALA A 55 0.225 -6.207 -3.241 1.00 0.00 C ATOM 0 H ALA A 55 -1.319 -4.785 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.614 -4.818 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.795 -6.759 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.866 -5.459 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.139 -6.897 -2.480 1.00 0.00 H new ATOM 886 N ASN A 56 -2.787 -7.114 -3.873 1.00 0.00 N ATOM 887 CA ASN A 56 -3.673 -8.145 -4.482 1.00 0.00 C ATOM 888 C ASN A 56 -4.325 -7.572 -5.743 1.00 0.00 C ATOM 889 O ASN A 56 -4.365 -8.204 -6.781 1.00 0.00 O ATOM 890 CB ASN A 56 -4.762 -8.546 -3.489 1.00 0.00 C ATOM 891 CG ASN A 56 -5.713 -9.545 -4.156 1.00 0.00 C ATOM 892 OD1 ASN A 56 -5.288 -10.368 -4.944 1.00 0.00 O ATOM 893 ND2 ASN A 56 -6.990 -9.517 -3.877 1.00 0.00 N ATOM 0 H ASN A 56 -2.983 -6.893 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.079 -9.022 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.314 -8.991 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.313 -7.665 -3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.623 -10.183 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.353 -8.829 -3.217 1.00 0.00 H new ATOM 900 N ALA A 57 -4.848 -6.379 -5.646 1.00 0.00 N ATOM 901 CA ALA A 57 -5.516 -5.743 -6.821 1.00 0.00 C ATOM 902 C ALA A 57 -4.510 -5.535 -7.965 1.00 0.00 C ATOM 903 O ALA A 57 -4.890 -5.392 -9.112 1.00 0.00 O ATOM 904 CB ALA A 57 -6.104 -4.397 -6.384 1.00 0.00 C ATOM 0 H ALA A 57 -4.842 -5.813 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.311 -6.394 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.595 -3.922 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.831 -4.559 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.305 -3.752 -6.019 1.00 0.00 H new ATOM 910 N LEU A 58 -3.233 -5.522 -7.673 1.00 0.00 N ATOM 911 CA LEU A 58 -2.215 -5.329 -8.755 1.00 0.00 C ATOM 912 C LEU A 58 -1.803 -6.704 -9.303 1.00 0.00 C ATOM 913 O LEU A 58 -0.916 -6.816 -10.125 1.00 0.00 O ATOM 914 CB LEU A 58 -0.977 -4.619 -8.171 1.00 0.00 C ATOM 915 CG LEU A 58 -1.198 -3.090 -8.128 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.287 -2.476 -7.058 1.00 0.00 C ATOM 917 CD2 LEU A 58 -0.865 -2.463 -9.492 1.00 0.00 C ATOM 0 H LEU A 58 -2.851 -5.636 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.637 -4.722 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.777 -4.992 -7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.100 -4.848 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.243 -2.891 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.440 -1.397 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.526 -2.907 -6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.754 -2.687 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.025 -1.386 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.177 -2.664 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.510 -2.894 -10.258 1.00 0.00 H new ATOM 929 N GLU A 59 -2.448 -7.747 -8.853 1.00 0.00 N ATOM 930 CA GLU A 59 -2.103 -9.118 -9.338 1.00 0.00 C ATOM 931 C GLU A 59 -0.621 -9.401 -9.066 1.00 0.00 C ATOM 932 O GLU A 59 -0.097 -10.423 -9.462 1.00 0.00 O ATOM 933 CB GLU A 59 -2.406 -9.236 -10.850 1.00 0.00 C ATOM 934 CG GLU A 59 -3.787 -9.877 -11.049 1.00 0.00 C ATOM 935 CD GLU A 59 -3.678 -11.394 -10.867 1.00 0.00 C ATOM 936 OE1 GLU A 59 -2.644 -11.841 -10.396 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.626 -12.084 -11.204 1.00 0.00 O ATOM 0 H GLU A 59 -3.202 -7.710 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.707 -9.853 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.381 -8.250 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.640 -9.838 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.498 -9.464 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.167 -9.646 -12.044 1.00 0.00 H new ATOM 944 N THR A 60 0.053 -8.510 -8.382 1.00 0.00 N ATOM 945 CA THR A 60 1.505 -8.725 -8.063 1.00 0.00 C ATOM 946 C THR A 60 1.661 -8.959 -6.552 1.00 0.00 C ATOM 947 O THR A 60 0.694 -9.204 -5.862 1.00 0.00 O ATOM 948 CB THR A 60 2.306 -7.491 -8.505 1.00 0.00 C ATOM 949 OG1 THR A 60 3.683 -7.827 -8.561 1.00 0.00 O ATOM 950 CG2 THR A 60 2.099 -6.337 -7.516 1.00 0.00 C ATOM 0 H THR A 60 -0.339 -7.638 -8.028 1.00 0.00 H new ATOM 0 HA THR A 60 1.883 -9.598 -8.594 1.00 0.00 H new ATOM 0 HB THR A 60 1.960 -7.174 -9.489 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.124 -7.286 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.673 -5.470 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.041 -6.078 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.436 -6.642 -6.525 1.00 0.00 H new ATOM 958 N LYS A 61 2.867 -8.884 -6.032 1.00 0.00 N ATOM 959 CA LYS A 61 3.080 -9.106 -4.560 1.00 0.00 C ATOM 960 C LYS A 61 3.547 -7.783 -3.919 1.00 0.00 C ATOM 961 O LYS A 61 4.149 -6.973 -4.594 1.00 0.00 O ATOM 962 CB LYS A 61 4.155 -10.197 -4.386 1.00 0.00 C ATOM 963 CG LYS A 61 3.925 -11.319 -5.427 1.00 0.00 C ATOM 964 CD LYS A 61 4.738 -11.037 -6.711 1.00 0.00 C ATOM 965 CE LYS A 61 6.132 -11.670 -6.604 1.00 0.00 C ATOM 966 NZ LYS A 61 6.012 -13.149 -6.730 1.00 0.00 N ATOM 0 H LYS A 61 3.713 -8.679 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 61 2.157 -9.426 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.149 -9.767 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.112 -10.608 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.220 -12.280 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.864 -11.388 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.214 -11.439 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.829 -9.962 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.783 -11.279 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.589 -11.411 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.915 -13.544 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.775 -13.558 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.262 -13.380 -7.413 1.00 0.00 H new ATOM 980 N PRO A 62 3.267 -7.575 -2.644 1.00 0.00 N ATOM 981 CA PRO A 62 3.686 -6.330 -1.979 1.00 0.00 C ATOM 982 C PRO A 62 5.214 -6.193 -2.075 1.00 0.00 C ATOM 983 O PRO A 62 5.763 -5.129 -1.888 1.00 0.00 O ATOM 984 CB PRO A 62 3.204 -6.468 -0.514 1.00 0.00 C ATOM 985 CG PRO A 62 2.526 -7.864 -0.379 1.00 0.00 C ATOM 986 CD PRO A 62 2.536 -8.525 -1.776 1.00 0.00 C ATOM 0 HA PRO A 62 3.264 -5.435 -2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.043 -6.380 0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.501 -5.673 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.062 -8.482 0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.505 -7.760 -0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.030 -9.496 -1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.523 -8.693 -2.140 1.00 0.00 H new ATOM 994 N GLU A 63 5.896 -7.273 -2.359 1.00 0.00 N ATOM 995 CA GLU A 63 7.388 -7.219 -2.463 1.00 0.00 C ATOM 996 C GLU A 63 7.797 -6.268 -3.594 1.00 0.00 C ATOM 997 O GLU A 63 8.931 -5.842 -3.680 1.00 0.00 O ATOM 998 CB GLU A 63 7.934 -8.622 -2.762 1.00 0.00 C ATOM 999 CG GLU A 63 7.419 -9.607 -1.709 1.00 0.00 C ATOM 1000 CD GLU A 63 7.786 -11.036 -2.114 1.00 0.00 C ATOM 1001 OE1 GLU A 63 7.342 -11.465 -3.167 1.00 0.00 O ATOM 1002 OE2 GLU A 63 8.499 -11.680 -1.363 1.00 0.00 O ATOM 0 H GLU A 63 5.485 -8.192 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 63 7.797 -6.858 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.622 -8.941 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.024 -8.608 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.851 -9.373 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.338 -9.514 -1.608 1.00 0.00 H new ATOM 1009 N VAL A 64 6.888 -5.945 -4.473 1.00 0.00 N ATOM 1010 CA VAL A 64 7.227 -5.043 -5.618 1.00 0.00 C ATOM 1011 C VAL A 64 6.969 -3.580 -5.246 1.00 0.00 C ATOM 1012 O VAL A 64 7.604 -2.680 -5.761 1.00 0.00 O ATOM 1013 CB VAL A 64 6.343 -5.420 -6.809 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.854 -4.731 -8.076 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.373 -6.940 -7.000 1.00 0.00 C ATOM 0 H VAL A 64 5.920 -6.267 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 64 8.282 -5.158 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 64 5.320 -5.096 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.220 -5.004 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.829 -3.650 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.878 -5.047 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.744 -7.213 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.397 -7.263 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.999 -7.427 -6.099 1.00 0.00 H new ATOM 1025 N ILE A 65 6.039 -3.331 -4.364 1.00 0.00 N ATOM 1026 CA ILE A 65 5.733 -1.920 -3.976 1.00 0.00 C ATOM 1027 C ILE A 65 6.636 -1.487 -2.817 1.00 0.00 C ATOM 1028 O ILE A 65 6.834 -0.314 -2.583 1.00 0.00 O ATOM 1029 CB ILE A 65 4.261 -1.823 -3.555 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.365 -2.245 -4.737 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.938 -0.379 -3.156 1.00 0.00 C ATOM 1032 CD1 ILE A 65 1.959 -2.631 -4.248 1.00 0.00 C ATOM 0 H ILE A 65 5.477 -4.041 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 65 5.915 -1.262 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 65 4.079 -2.482 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.293 -1.428 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.817 -3.088 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.892 -0.309 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.574 -0.081 -2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.117 0.282 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.346 -2.925 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.033 -3.464 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.501 -1.778 -3.748 1.00 0.00 H new ATOM 1044 N TRP A 66 7.195 -2.428 -2.095 1.00 0.00 N ATOM 1045 CA TRP A 66 8.095 -2.080 -0.946 1.00 0.00 C ATOM 1046 C TRP A 66 9.343 -2.996 -0.960 1.00 0.00 C ATOM 1047 O TRP A 66 9.509 -3.805 -0.071 1.00 0.00 O ATOM 1048 CB TRP A 66 7.315 -2.277 0.367 1.00 0.00 C ATOM 1049 CG TRP A 66 6.280 -1.199 0.507 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.535 0.068 0.912 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.841 -1.265 0.257 1.00 0.00 C ATOM 1052 NE1 TRP A 66 5.354 0.793 0.903 1.00 0.00 N ATOM 1053 CE2 TRP A 66 4.279 0.017 0.511 1.00 0.00 C ATOM 1054 CE3 TRP A 66 3.971 -2.299 -0.168 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.906 0.266 0.344 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.590 -2.053 -0.335 1.00 0.00 C ATOM 1057 CH2 TRP A 66 2.059 -0.773 -0.080 1.00 0.00 C ATOM 0 H TRP A 66 7.067 -3.428 -2.252 1.00 0.00 H new ATOM 0 HA TRP A 66 8.422 -1.044 -1.031 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.837 -3.257 0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.999 -2.250 1.215 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.504 0.452 1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.286 1.779 1.155 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.367 -3.284 -0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.504 1.249 0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.938 -2.850 -0.660 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.003 -0.590 -0.210 1.00 0.00 H new ATOM 1068 N PRO A 67 10.186 -2.848 -1.970 1.00 0.00 N ATOM 1069 CA PRO A 67 11.414 -3.674 -2.105 1.00 0.00 C ATOM 1070 C PRO A 67 12.506 -3.250 -1.098 1.00 0.00 C ATOM 1071 O PRO A 67 13.150 -4.076 -0.479 1.00 0.00 O ATOM 1072 CB PRO A 67 11.897 -3.394 -3.549 1.00 0.00 C ATOM 1073 CG PRO A 67 11.174 -2.104 -4.024 1.00 0.00 C ATOM 1074 CD PRO A 67 9.988 -1.865 -3.063 1.00 0.00 C ATOM 0 HA PRO A 67 11.213 -4.727 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.979 -3.263 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.661 -4.232 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.856 -1.254 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.822 -2.216 -5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.987 -0.844 -2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.033 -2.019 -3.566 1.00 0.00 H new ATOM 1082 N SER A 68 12.751 -1.971 -0.981 1.00 0.00 N ATOM 1083 CA SER A 68 13.839 -1.475 -0.074 1.00 0.00 C ATOM 1084 C SER A 68 13.473 -1.628 1.410 1.00 0.00 C ATOM 1085 O SER A 68 14.261 -1.299 2.276 1.00 0.00 O ATOM 1086 CB SER A 68 14.088 0.003 -0.374 1.00 0.00 C ATOM 1087 OG SER A 68 14.791 0.593 0.712 1.00 0.00 O ATOM 0 H SER A 68 12.242 -1.240 -1.477 1.00 0.00 H new ATOM 0 HA SER A 68 14.731 -2.073 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.664 0.107 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.140 0.518 -0.531 1.00 0.00 H new ATOM 0 HG SER A 68 15.076 -0.107 1.336 1.00 0.00 H new ATOM 1093 N ARG A 69 12.301 -2.115 1.717 1.00 0.00 N ATOM 1094 CA ARG A 69 11.895 -2.281 3.160 1.00 0.00 C ATOM 1095 C ARG A 69 11.983 -3.759 3.549 1.00 0.00 C ATOM 1096 O ARG A 69 12.130 -4.096 4.708 1.00 0.00 O ATOM 1097 CB ARG A 69 10.444 -1.814 3.340 1.00 0.00 C ATOM 1098 CG ARG A 69 10.373 -0.277 3.403 1.00 0.00 C ATOM 1099 CD ARG A 69 10.610 0.207 4.841 1.00 0.00 C ATOM 1100 NE ARG A 69 9.325 0.147 5.591 1.00 0.00 N ATOM 1101 CZ ARG A 69 9.322 0.219 6.892 1.00 0.00 C ATOM 1102 NH1 ARG A 69 10.441 0.371 7.545 1.00 0.00 N ATOM 1103 NH2 ARG A 69 8.192 0.146 7.541 1.00 0.00 N ATOM 0 H ARG A 69 11.600 -2.408 1.036 1.00 0.00 H new ATOM 0 HA ARG A 69 12.560 -1.689 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.834 -2.178 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.030 -2.240 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.120 0.156 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.399 0.064 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.360 -0.416 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.996 1.226 4.836 1.00 0.00 H new ATOM 0 HE ARG A 69 8.445 0.049 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.323 0.434 7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.434 0.427 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.317 0.033 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.184 0.202 8.559 1.00 0.00 H new ATOM 1117 N TYR A 70 11.891 -4.641 2.588 1.00 0.00 N ATOM 1118 CA TYR A 70 11.960 -6.110 2.884 1.00 0.00 C ATOM 1119 C TYR A 70 13.348 -6.629 2.506 1.00 0.00 C ATOM 1120 O TYR A 70 14.085 -5.989 1.783 1.00 0.00 O ATOM 1121 CB TYR A 70 10.890 -6.849 2.052 1.00 0.00 C ATOM 1122 CG TYR A 70 9.546 -6.753 2.745 1.00 0.00 C ATOM 1123 CD1 TYR A 70 9.351 -7.389 3.987 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.497 -6.024 2.159 1.00 0.00 C ATOM 1125 CE1 TYR A 70 8.108 -7.290 4.643 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.253 -5.919 2.815 1.00 0.00 C ATOM 1127 CZ TYR A 70 7.059 -6.558 4.059 1.00 0.00 C ATOM 1128 OH TYR A 70 5.845 -6.455 4.709 1.00 0.00 O ATOM 0 H TYR A 70 11.770 -4.408 1.602 1.00 0.00 H new ATOM 0 HA TYR A 70 11.778 -6.284 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.827 -6.414 1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.171 -7.895 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.155 -7.953 4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.644 -5.543 1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.961 -7.777 5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.451 -5.351 2.367 1.00 0.00 H new ATOM 0 HH TYR A 70 5.220 -5.941 4.156 1.00 0.00 H new ATOM 1138 N GLN A 71 13.706 -7.785 2.996 1.00 0.00 N ATOM 1139 CA GLN A 71 15.042 -8.369 2.680 1.00 0.00 C ATOM 1140 C GLN A 71 14.968 -9.884 2.891 1.00 0.00 C ATOM 1141 O GLN A 71 15.463 -10.413 3.866 1.00 0.00 O ATOM 1142 CB GLN A 71 16.107 -7.765 3.607 1.00 0.00 C ATOM 1143 CG GLN A 71 17.507 -8.009 3.028 1.00 0.00 C ATOM 1144 CD GLN A 71 17.757 -7.046 1.866 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.255 -7.438 0.827 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.424 -5.791 2.000 1.00 0.00 N ATOM 0 H GLN A 71 13.124 -8.356 3.608 1.00 0.00 H new ATOM 0 HA GLN A 71 15.313 -8.148 1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.934 -6.695 3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.032 -8.210 4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.261 -7.865 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.595 -9.040 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.007 -5.464 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.581 -5.137 1.233 1.00 0.00 H new ATOM 1155 N ALA A 72 14.330 -10.579 1.990 1.00 0.00 N ATOM 1156 CA ALA A 72 14.193 -12.054 2.134 1.00 0.00 C ATOM 1157 C ALA A 72 13.834 -12.658 0.774 1.00 0.00 C ATOM 1158 O ALA A 72 13.121 -13.638 0.691 1.00 0.00 O ATOM 1159 CB ALA A 72 13.076 -12.363 3.134 1.00 0.00 C ATOM 0 H ALA A 72 13.895 -10.185 1.156 1.00 0.00 H new ATOM 0 HA ALA A 72 15.131 -12.479 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.973 -13.443 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.321 -11.923 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.137 -11.943 2.772 1.00 0.00 H new ATOM 1165 N GLY A 73 14.311 -12.081 -0.295 1.00 0.00 N ATOM 1166 CA GLY A 73 13.983 -12.634 -1.638 1.00 0.00 C ATOM 1167 C GLY A 73 14.847 -13.868 -1.901 1.00 0.00 C ATOM 1168 O GLY A 73 14.981 -14.312 -3.022 1.00 0.00 O ATOM 0 H GLY A 73 14.910 -11.255 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.927 -12.898 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.159 -11.882 -2.407 1.00 0.00 H new ATOM 1172 N GLU A 74 15.442 -14.422 -0.873 1.00 0.00 N ATOM 1173 CA GLU A 74 16.307 -15.627 -1.061 1.00 0.00 C ATOM 1174 C GLU A 74 15.487 -16.897 -0.812 1.00 0.00 C ATOM 1175 O GLU A 74 14.273 -16.790 -0.726 1.00 0.00 O ATOM 1176 CB GLU A 74 17.475 -15.571 -0.068 1.00 0.00 C ATOM 1177 CG GLU A 74 16.947 -15.173 1.312 1.00 0.00 C ATOM 1178 CD GLU A 74 17.994 -15.496 2.378 1.00 0.00 C ATOM 1179 OE1 GLU A 74 19.047 -15.995 2.015 1.00 0.00 O ATOM 1180 OE2 GLU A 74 17.726 -15.237 3.540 1.00 0.00 O ATOM 1181 OXT GLU A 74 16.087 -17.957 -0.720 1.00 0.00 O ATOM 0 H GLU A 74 15.366 -14.091 0.089 1.00 0.00 H new ATOM 0 HA GLU A 74 16.691 -15.642 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.969 -16.541 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.221 -14.851 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.713 -14.109 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.021 -15.706 1.525 1.00 0.00 H new TER 1188 GLU A 74