USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 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 Set 1.1: A 34 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Single : A 1 CYS N :NH3+ 155:sc= 0.0482 (180deg=0.00774) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0523 USER MOD Single : A 2 SER OG : rot 5:sc= 0.672! USER MOD Single : A 3 ASN : amide:sc= -1.39! C(o=-1.4!,f=-7.1!) USER MOD Single : A 5 LYS NZ :NH3+ 140:sc= 0.489 (180deg=-0.0179) USER MOD Single : A 10 HIS : no HE2:sc= -0.94 K(o=-0.94,f=-2.7) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00218 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 60:sc= -1.53! USER MOD Single : A 31 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.59) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 52 GLN : amide:sc= -1.61! K(o=-1.6!,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.59 K(o=-0.59,f=-2.1!) USER MOD Single : A 60 THR OG1 : rot 170:sc= -0.753 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0729 K(o=-0.073,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 14.825 14.858 -4.124 1.00 0.00 N ATOM 2 CA CYS A 1 16.310 14.732 -4.052 1.00 0.00 C ATOM 3 C CYS A 1 16.699 14.002 -2.762 1.00 0.00 C ATOM 4 O CYS A 1 16.697 12.789 -2.701 1.00 0.00 O ATOM 5 CB CYS A 1 16.944 16.123 -4.060 1.00 0.00 C ATOM 6 SG CYS A 1 16.754 16.864 -5.701 1.00 0.00 S ATOM 0 H1 CYS A 1 14.574 15.673 -4.720 1.00 0.00 H new ATOM 0 H2 CYS A 1 14.423 13.991 -4.535 1.00 0.00 H new ATOM 0 H3 CYS A 1 14.442 14.998 -3.167 1.00 0.00 H new ATOM 0 HA CYS A 1 16.667 14.166 -4.913 1.00 0.00 H new ATOM 0 HB2 CYS A 1 16.471 16.754 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 1 18.000 16.054 -3.800 1.00 0.00 H new ATOM 0 HG CYS A 1 17.291 18.048 -5.707 1.00 0.00 H new ATOM 14 N SER A 2 17.034 14.732 -1.733 1.00 0.00 N ATOM 15 CA SER A 2 17.421 14.075 -0.451 1.00 0.00 C ATOM 16 C SER A 2 16.222 13.301 0.098 1.00 0.00 C ATOM 17 O SER A 2 15.169 13.857 0.338 1.00 0.00 O ATOM 18 CB SER A 2 17.851 15.139 0.559 1.00 0.00 C ATOM 19 OG SER A 2 16.709 15.868 0.989 1.00 0.00 O ATOM 0 H SER A 2 17.057 15.752 -1.724 1.00 0.00 H new ATOM 0 HA SER A 2 18.250 13.389 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.340 14.670 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.578 15.813 0.107 1.00 0.00 H new ATOM 0 HG SER A 2 15.901 15.468 0.604 1.00 0.00 H new ATOM 25 N ASN A 3 16.369 12.017 0.292 1.00 0.00 N ATOM 26 CA ASN A 3 15.231 11.210 0.818 1.00 0.00 C ATOM 27 C ASN A 3 13.976 11.524 0.004 1.00 0.00 C ATOM 28 O ASN A 3 13.231 12.429 0.323 1.00 0.00 O ATOM 29 CB ASN A 3 14.983 11.559 2.286 1.00 0.00 C ATOM 30 CG ASN A 3 16.303 11.507 3.055 1.00 0.00 C ATOM 31 OD1 ASN A 3 17.359 11.399 2.464 1.00 0.00 O ATOM 32 ND2 ASN A 3 16.286 11.578 4.356 1.00 0.00 N ATOM 0 H ASN A 3 17.226 11.494 0.109 1.00 0.00 H new ATOM 0 HA ASN A 3 15.470 10.150 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.543 12.553 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.269 10.860 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.160 11.543 4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.398 11.669 4.850 1.00 0.00 H new ATOM 39 N GLU A 4 13.746 10.787 -1.055 1.00 0.00 N ATOM 40 CA GLU A 4 12.544 11.035 -1.916 1.00 0.00 C ATOM 41 C GLU A 4 11.551 9.881 -1.748 1.00 0.00 C ATOM 42 O GLU A 4 10.470 10.051 -1.219 1.00 0.00 O ATOM 43 CB GLU A 4 12.997 11.129 -3.384 1.00 0.00 C ATOM 44 CG GLU A 4 11.998 11.965 -4.194 1.00 0.00 C ATOM 45 CD GLU A 4 10.579 11.436 -3.968 1.00 0.00 C ATOM 46 OE1 GLU A 4 10.383 10.241 -4.115 1.00 0.00 O ATOM 47 OE2 GLU A 4 9.714 12.237 -3.654 1.00 0.00 O ATOM 0 H GLU A 4 14.342 10.019 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 4 12.058 11.966 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.988 11.580 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.078 10.130 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.058 13.011 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.248 11.922 -5.254 1.00 0.00 H new ATOM 54 N LYS A 5 11.915 8.710 -2.198 1.00 0.00 N ATOM 55 CA LYS A 5 11.010 7.525 -2.083 1.00 0.00 C ATOM 56 C LYS A 5 11.818 6.322 -1.586 1.00 0.00 C ATOM 57 O LYS A 5 11.280 5.265 -1.322 1.00 0.00 O ATOM 58 CB LYS A 5 10.438 7.202 -3.463 1.00 0.00 C ATOM 59 CG LYS A 5 11.564 7.233 -4.501 1.00 0.00 C ATOM 60 CD LYS A 5 11.105 6.521 -5.776 1.00 0.00 C ATOM 61 CE LYS A 5 9.793 7.138 -6.265 1.00 0.00 C ATOM 62 NZ LYS A 5 9.564 6.746 -7.684 1.00 0.00 N ATOM 0 H LYS A 5 12.811 8.520 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 5 10.202 7.743 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.966 6.220 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.665 7.924 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.837 8.264 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.454 6.748 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.869 6.608 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.968 5.457 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.964 6.799 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.833 8.224 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.556 6.532 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.844 7.528 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.132 5.904 -7.907 1.00 0.00 H new ATOM 76 N ALA A 6 13.112 6.472 -1.469 1.00 0.00 N ATOM 77 CA ALA A 6 13.956 5.335 -1.002 1.00 0.00 C ATOM 78 C ALA A 6 13.597 4.079 -1.802 1.00 0.00 C ATOM 79 O ALA A 6 13.558 4.099 -3.016 1.00 0.00 O ATOM 80 CB ALA A 6 13.701 5.091 0.487 1.00 0.00 C ATOM 0 H ALA A 6 13.619 7.332 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 6 15.009 5.571 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.317 4.260 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.955 5.988 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.649 4.851 0.641 1.00 0.00 H new ATOM 86 N ARG A 7 13.315 2.990 -1.134 1.00 0.00 N ATOM 87 CA ARG A 7 12.940 1.740 -1.861 1.00 0.00 C ATOM 88 C ARG A 7 11.415 1.635 -1.879 1.00 0.00 C ATOM 89 O ARG A 7 10.829 0.999 -2.733 1.00 0.00 O ATOM 90 CB ARG A 7 13.499 0.519 -1.115 1.00 0.00 C ATOM 91 CG ARG A 7 14.984 0.722 -0.777 1.00 0.00 C ATOM 92 CD ARG A 7 15.838 0.763 -2.068 1.00 0.00 C ATOM 93 NE ARG A 7 17.051 -0.104 -1.908 1.00 0.00 N ATOM 94 CZ ARG A 7 17.794 -0.037 -0.833 1.00 0.00 C ATOM 95 NH1 ARG A 7 17.566 0.872 0.072 1.00 0.00 N ATOM 96 NH2 ARG A 7 18.792 -0.864 -0.684 1.00 0.00 N ATOM 0 H ARG A 7 13.328 2.912 -0.117 1.00 0.00 H new ATOM 0 HA ARG A 7 13.343 1.768 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.932 0.355 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.379 -0.374 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.112 1.651 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.329 -0.086 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.246 0.421 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.139 1.788 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 7 17.301 -0.757 -2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.804 1.538 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.150 0.918 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 7 18.990 -1.559 -1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 7 19.374 -0.816 0.152 1.00 0.00 H new ATOM 110 N ASP A 8 10.775 2.251 -0.926 1.00 0.00 N ATOM 111 CA ASP A 8 9.291 2.190 -0.852 1.00 0.00 C ATOM 112 C ASP A 8 8.653 3.107 -1.904 1.00 0.00 C ATOM 113 O ASP A 8 9.208 4.116 -2.292 1.00 0.00 O ATOM 114 CB ASP A 8 8.836 2.642 0.539 1.00 0.00 C ATOM 115 CG ASP A 8 9.634 1.893 1.611 1.00 0.00 C ATOM 116 OD1 ASP A 8 10.825 1.714 1.421 1.00 0.00 O ATOM 117 OD2 ASP A 8 9.039 1.514 2.606 1.00 0.00 O ATOM 0 H ASP A 8 11.221 2.798 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 8 8.978 1.163 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.981 3.717 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.770 2.450 0.664 1.00 0.00 H new ATOM 122 N TRP A 9 7.468 2.767 -2.332 1.00 0.00 N ATOM 123 CA TRP A 9 6.735 3.600 -3.334 1.00 0.00 C ATOM 124 C TRP A 9 6.280 4.888 -2.644 1.00 0.00 C ATOM 125 O TRP A 9 5.560 4.841 -1.667 1.00 0.00 O ATOM 126 CB TRP A 9 5.506 2.803 -3.797 1.00 0.00 C ATOM 127 CG TRP A 9 5.915 1.787 -4.815 1.00 0.00 C ATOM 128 CD1 TRP A 9 6.972 0.947 -4.700 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.238 1.424 -6.052 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.031 0.143 -5.825 1.00 0.00 N ATOM 131 CE2 TRP A 9 5.977 0.386 -6.683 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.074 1.904 -6.697 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.575 -0.159 -7.910 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.664 1.356 -7.929 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.413 0.327 -8.535 1.00 0.00 C ATOM 0 H TRP A 9 6.967 1.933 -2.026 1.00 0.00 H new ATOM 0 HA TRP A 9 7.367 3.844 -4.188 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.039 2.310 -2.945 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.762 3.478 -4.221 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.657 0.911 -3.866 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.764 -0.545 -5.999 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.496 2.695 -6.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.153 -0.946 -8.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.771 1.726 -8.411 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.094 -0.088 -9.480 1.00 0.00 H new ATOM 146 N HIS A 10 6.689 6.034 -3.134 1.00 0.00 N ATOM 147 CA HIS A 10 6.274 7.321 -2.488 1.00 0.00 C ATOM 148 C HIS A 10 4.793 7.252 -2.099 1.00 0.00 C ATOM 149 O HIS A 10 3.996 6.625 -2.767 1.00 0.00 O ATOM 150 CB HIS A 10 6.502 8.490 -3.462 1.00 0.00 C ATOM 151 CG HIS A 10 6.642 9.779 -2.689 1.00 0.00 C ATOM 152 ND1 HIS A 10 7.868 10.400 -2.507 1.00 0.00 N ATOM 153 CD2 HIS A 10 5.725 10.563 -2.032 1.00 0.00 C ATOM 154 CE1 HIS A 10 7.657 11.506 -1.769 1.00 0.00 C ATOM 155 NE2 HIS A 10 6.368 11.652 -1.454 1.00 0.00 N ATOM 0 H HIS A 10 7.291 6.134 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 10 6.873 7.480 -1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.399 8.312 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.668 8.562 -4.160 1.00 0.00 H new ATOM 0 HD1 HIS A 10 8.766 10.078 -2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.665 10.364 -1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.436 12.192 -1.468 1.00 0.00 H new ATOM 163 N ARG A 11 4.423 7.876 -1.017 1.00 0.00 N ATOM 164 CA ARG A 11 2.993 7.832 -0.582 1.00 0.00 C ATOM 165 C ARG A 11 2.088 8.139 -1.779 1.00 0.00 C ATOM 166 O ARG A 11 0.946 7.723 -1.838 1.00 0.00 O ATOM 167 CB ARG A 11 2.759 8.870 0.520 1.00 0.00 C ATOM 168 CG ARG A 11 1.276 8.892 0.914 1.00 0.00 C ATOM 169 CD ARG A 11 1.090 9.768 2.157 1.00 0.00 C ATOM 170 NE ARG A 11 -0.247 9.494 2.786 1.00 0.00 N ATOM 171 CZ ARG A 11 -1.363 9.607 2.114 1.00 0.00 C ATOM 172 NH1 ARG A 11 -1.366 10.131 0.919 1.00 0.00 N ATOM 173 NH2 ARG A 11 -2.490 9.247 2.665 1.00 0.00 N ATOM 0 H ARG A 11 5.045 8.415 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 11 2.760 6.840 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.371 8.633 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.066 9.857 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.676 9.279 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.927 7.879 1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.886 9.569 2.874 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.163 10.821 1.884 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.285 9.212 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.494 10.456 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.241 10.216 0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.498 8.879 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.363 9.334 2.144 1.00 0.00 H new ATOM 187 N ALA A 12 2.593 8.871 -2.735 1.00 0.00 N ATOM 188 CA ALA A 12 1.775 9.212 -3.934 1.00 0.00 C ATOM 189 C ALA A 12 1.967 8.129 -4.995 1.00 0.00 C ATOM 190 O ALA A 12 1.114 7.905 -5.825 1.00 0.00 O ATOM 191 CB ALA A 12 2.229 10.558 -4.492 1.00 0.00 C ATOM 0 H ALA A 12 3.540 9.249 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 12 0.722 9.272 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.632 10.809 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.100 11.329 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.280 10.499 -4.774 1.00 0.00 H new ATOM 197 N ASP A 13 3.079 7.446 -4.968 1.00 0.00 N ATOM 198 CA ASP A 13 3.312 6.375 -5.975 1.00 0.00 C ATOM 199 C ASP A 13 2.329 5.246 -5.703 1.00 0.00 C ATOM 200 O ASP A 13 1.932 4.515 -6.590 1.00 0.00 O ATOM 201 CB ASP A 13 4.747 5.861 -5.852 1.00 0.00 C ATOM 202 CG ASP A 13 5.707 6.878 -6.472 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.318 8.026 -6.606 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.818 6.491 -6.801 1.00 0.00 O ATOM 0 H ASP A 13 3.833 7.583 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 13 3.166 6.762 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.998 5.700 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.845 4.899 -6.355 1.00 0.00 H new ATOM 209 N VAL A 14 1.916 5.117 -4.478 1.00 0.00 N ATOM 210 CA VAL A 14 0.943 4.053 -4.124 1.00 0.00 C ATOM 211 C VAL A 14 -0.459 4.492 -4.546 1.00 0.00 C ATOM 212 O VAL A 14 -1.140 3.805 -5.278 1.00 0.00 O ATOM 213 CB VAL A 14 0.978 3.834 -2.605 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.222 2.992 -2.161 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.273 3.115 -2.226 1.00 0.00 C ATOM 0 H VAL A 14 2.213 5.707 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 14 1.200 3.126 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 14 0.933 4.802 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.184 2.845 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.146 3.507 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.192 2.024 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.300 2.958 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.316 2.151 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.127 3.722 -2.526 1.00 0.00 H new ATOM 225 N ILE A 15 -0.900 5.622 -4.075 1.00 0.00 N ATOM 226 CA ILE A 15 -2.272 6.087 -4.426 1.00 0.00 C ATOM 227 C ILE A 15 -2.316 6.607 -5.868 1.00 0.00 C ATOM 228 O ILE A 15 -3.183 6.243 -6.633 1.00 0.00 O ATOM 229 CB ILE A 15 -2.699 7.201 -3.460 1.00 0.00 C ATOM 230 CG1 ILE A 15 -2.497 6.737 -1.998 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.181 7.520 -3.697 1.00 0.00 C ATOM 232 CD1 ILE A 15 -2.311 7.947 -1.084 1.00 0.00 C ATOM 0 H ILE A 15 -0.372 6.245 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.959 5.245 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.093 8.090 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.358 6.154 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.626 6.085 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.496 8.311 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.322 7.850 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.779 6.626 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.170 7.609 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.436 8.513 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.194 8.583 -1.138 1.00 0.00 H new ATOM 244 N ALA A 16 -1.404 7.460 -6.249 1.00 0.00 N ATOM 245 CA ALA A 16 -1.426 7.988 -7.647 1.00 0.00 C ATOM 246 C ALA A 16 -1.391 6.826 -8.638 1.00 0.00 C ATOM 247 O ALA A 16 -2.211 6.727 -9.529 1.00 0.00 O ATOM 248 CB ALA A 16 -0.224 8.905 -7.890 1.00 0.00 C ATOM 0 H ALA A 16 -0.650 7.813 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.342 8.562 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.254 9.281 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.259 9.743 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.698 8.344 -7.737 1.00 0.00 H new ATOM 254 N GLY A 17 -0.435 5.953 -8.492 1.00 0.00 N ATOM 255 CA GLY A 17 -0.322 4.800 -9.426 1.00 0.00 C ATOM 256 C GLY A 17 -1.619 3.988 -9.429 1.00 0.00 C ATOM 257 O GLY A 17 -2.145 3.648 -10.472 1.00 0.00 O ATOM 0 H GLY A 17 0.277 5.989 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.108 5.159 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.512 4.164 -9.130 1.00 0.00 H new ATOM 261 N LEU A 18 -2.131 3.660 -8.276 1.00 0.00 N ATOM 262 CA LEU A 18 -3.385 2.853 -8.217 1.00 0.00 C ATOM 263 C LEU A 18 -4.555 3.654 -8.806 1.00 0.00 C ATOM 264 O LEU A 18 -5.356 3.130 -9.552 1.00 0.00 O ATOM 265 CB LEU A 18 -3.677 2.485 -6.751 1.00 0.00 C ATOM 266 CG LEU A 18 -2.809 1.277 -6.326 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.735 1.191 -4.796 1.00 0.00 C ATOM 268 CD2 LEU A 18 -3.411 -0.034 -6.861 1.00 0.00 C ATOM 0 H LEU A 18 -1.736 3.915 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.262 1.942 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.469 3.338 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.733 2.244 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.811 1.418 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.122 0.337 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.292 2.105 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.739 1.070 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.788 -0.873 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.417 -0.163 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.456 0.004 -7.949 1.00 0.00 H new ATOM 280 N LYS A 19 -4.661 4.912 -8.484 1.00 0.00 N ATOM 281 CA LYS A 19 -5.779 5.729 -9.040 1.00 0.00 C ATOM 282 C LYS A 19 -5.641 5.805 -10.558 1.00 0.00 C ATOM 283 O LYS A 19 -6.601 6.026 -11.271 1.00 0.00 O ATOM 284 CB LYS A 19 -5.704 7.154 -8.482 1.00 0.00 C ATOM 285 CG LYS A 19 -6.256 7.208 -7.055 1.00 0.00 C ATOM 286 CD LYS A 19 -6.598 8.660 -6.705 1.00 0.00 C ATOM 287 CE LYS A 19 -5.384 9.568 -6.961 1.00 0.00 C ATOM 288 NZ LYS A 19 -5.478 10.777 -6.093 1.00 0.00 N ATOM 0 H LYS A 19 -4.025 5.411 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.727 5.268 -8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.670 7.499 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.271 7.830 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.144 6.582 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.521 6.815 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.445 8.996 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.899 8.729 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.461 9.027 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.350 9.862 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.657 11.392 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.352 11.296 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.490 10.487 -5.094 1.00 0.00 H new ATOM 302 N LYS A 20 -4.451 5.655 -11.052 1.00 0.00 N ATOM 303 CA LYS A 20 -4.246 5.755 -12.517 1.00 0.00 C ATOM 304 C LYS A 20 -5.162 4.772 -13.225 1.00 0.00 C ATOM 305 O LYS A 20 -5.673 5.044 -14.293 1.00 0.00 O ATOM 306 CB LYS A 20 -2.788 5.462 -12.866 1.00 0.00 C ATOM 307 CG LYS A 20 -2.500 5.932 -14.292 1.00 0.00 C ATOM 308 CD LYS A 20 -1.070 5.553 -14.677 1.00 0.00 C ATOM 309 CE LYS A 20 -0.742 6.123 -16.058 1.00 0.00 C ATOM 310 NZ LYS A 20 0.676 5.819 -16.396 1.00 0.00 N ATOM 0 H LYS A 20 -3.611 5.467 -10.505 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.484 6.767 -12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.126 5.969 -12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.589 4.394 -12.777 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.207 5.477 -14.986 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.633 7.011 -14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.369 5.939 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.960 4.469 -14.685 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.406 5.693 -16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.906 7.201 -16.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.900 6.206 -17.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.302 6.249 -15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.818 4.789 -16.404 1.00 0.00 H new ATOM 324 N ARG A 21 -5.412 3.652 -12.622 1.00 0.00 N ATOM 325 CA ARG A 21 -6.335 2.678 -13.240 1.00 0.00 C ATOM 326 C ARG A 21 -7.704 2.997 -12.668 1.00 0.00 C ATOM 327 O ARG A 21 -8.374 3.913 -13.102 1.00 0.00 O ATOM 328 CB ARG A 21 -5.932 1.254 -12.839 1.00 0.00 C ATOM 329 CG ARG A 21 -4.751 0.788 -13.690 1.00 0.00 C ATOM 330 CD ARG A 21 -4.377 -0.644 -13.298 1.00 0.00 C ATOM 331 NE ARG A 21 -5.459 -1.578 -13.724 1.00 0.00 N ATOM 332 CZ ARG A 21 -5.239 -2.864 -13.747 1.00 0.00 C ATOM 333 NH1 ARG A 21 -4.076 -3.335 -13.385 1.00 0.00 N ATOM 334 NH2 ARG A 21 -6.182 -3.683 -14.129 1.00 0.00 N ATOM 0 H ARG A 21 -5.015 3.370 -11.726 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.320 2.739 -14.328 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.664 1.227 -11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.776 0.577 -12.971 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.011 0.831 -14.748 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.899 1.451 -13.544 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.434 -0.926 -13.767 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.229 -0.710 -12.220 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.371 -1.212 -13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.339 -2.698 -13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.905 -4.340 -13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.092 -3.318 -14.410 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.008 -4.688 -14.146 1.00 0.00 H new ATOM 348 N LYS A 22 -8.106 2.279 -11.669 1.00 0.00 N ATOM 349 CA LYS A 22 -9.408 2.567 -11.016 1.00 0.00 C ATOM 350 C LYS A 22 -9.346 2.057 -9.577 1.00 0.00 C ATOM 351 O LYS A 22 -10.194 1.297 -9.152 1.00 0.00 O ATOM 352 CB LYS A 22 -10.554 1.871 -11.764 1.00 0.00 C ATOM 353 CG LYS A 22 -10.853 2.608 -13.080 1.00 0.00 C ATOM 354 CD LYS A 22 -12.176 2.101 -13.688 1.00 0.00 C ATOM 355 CE LYS A 22 -13.369 2.844 -13.069 1.00 0.00 C ATOM 356 NZ LYS A 22 -14.617 2.463 -13.785 1.00 0.00 N ATOM 0 H LYS A 22 -7.586 1.497 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.595 3.641 -11.032 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.286 0.835 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.447 1.851 -11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.916 3.681 -12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.037 2.452 -13.786 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.168 2.249 -14.768 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.277 1.030 -13.514 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.455 2.598 -12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.214 3.921 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.425 2.966 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.533 2.719 -14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.766 1.437 -13.701 1.00 0.00 H new ATOM 370 N LEU A 23 -8.341 2.445 -8.823 1.00 0.00 N ATOM 371 CA LEU A 23 -8.225 1.948 -7.412 1.00 0.00 C ATOM 372 C LEU A 23 -7.820 3.081 -6.465 1.00 0.00 C ATOM 373 O LEU A 23 -7.086 3.983 -6.814 1.00 0.00 O ATOM 374 CB LEU A 23 -7.144 0.854 -7.340 1.00 0.00 C ATOM 375 CG LEU A 23 -7.670 -0.493 -7.853 1.00 0.00 C ATOM 376 CD1 LEU A 23 -6.525 -1.504 -7.757 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.868 -0.980 -7.000 1.00 0.00 C ATOM 0 H LEU A 23 -7.601 3.080 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.196 1.554 -7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.279 1.157 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.804 0.744 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.015 -0.388 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.866 -2.475 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.688 -1.165 -8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.204 -1.592 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.223 -1.937 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.552 -1.099 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.673 -0.247 -7.052 1.00 0.00 H new ATOM 389 N SER A 24 -8.281 2.996 -5.248 1.00 0.00 N ATOM 390 CA SER A 24 -7.935 4.010 -4.213 1.00 0.00 C ATOM 391 C SER A 24 -7.942 3.308 -2.854 1.00 0.00 C ATOM 392 O SER A 24 -8.817 2.511 -2.581 1.00 0.00 O ATOM 393 CB SER A 24 -8.975 5.130 -4.214 1.00 0.00 C ATOM 394 OG SER A 24 -10.279 4.561 -4.264 1.00 0.00 O ATOM 0 H SER A 24 -8.896 2.251 -4.921 1.00 0.00 H new ATOM 0 HA SER A 24 -6.957 4.444 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.867 5.743 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.819 5.786 -5.070 1.00 0.00 H new ATOM 0 HG SER A 24 -10.948 5.277 -4.263 1.00 0.00 H new ATOM 400 N LEU A 25 -6.975 3.576 -2.007 1.00 0.00 N ATOM 401 CA LEU A 25 -6.935 2.900 -0.667 1.00 0.00 C ATOM 402 C LEU A 25 -8.353 2.803 -0.087 1.00 0.00 C ATOM 403 O LEU A 25 -8.671 1.896 0.655 1.00 0.00 O ATOM 404 CB LEU A 25 -6.064 3.701 0.310 1.00 0.00 C ATOM 405 CG LEU A 25 -4.613 3.780 -0.186 1.00 0.00 C ATOM 406 CD1 LEU A 25 -3.829 4.739 0.716 1.00 0.00 C ATOM 407 CD2 LEU A 25 -3.956 2.389 -0.138 1.00 0.00 C ATOM 0 H LEU A 25 -6.214 4.231 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.515 1.903 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.469 4.707 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.091 3.234 1.294 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.606 4.139 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.797 4.801 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.285 5.728 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.847 4.370 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.928 2.460 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.962 2.019 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.513 1.702 -0.775 1.00 0.00 H new ATOM 419 N SER A 26 -9.208 3.729 -0.428 1.00 0.00 N ATOM 420 CA SER A 26 -10.601 3.682 0.096 1.00 0.00 C ATOM 421 C SER A 26 -11.379 2.580 -0.625 1.00 0.00 C ATOM 422 O SER A 26 -12.143 1.852 -0.023 1.00 0.00 O ATOM 423 CB SER A 26 -11.285 5.027 -0.148 1.00 0.00 C ATOM 424 OG SER A 26 -10.410 6.077 0.243 1.00 0.00 O ATOM 0 H SER A 26 -9.002 4.514 -1.046 1.00 0.00 H new ATOM 0 HA SER A 26 -10.579 3.474 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.546 5.129 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.215 5.083 0.418 1.00 0.00 H new ATOM 0 HG SER A 26 -10.845 6.941 0.086 1.00 0.00 H new ATOM 430 N ALA A 27 -11.192 2.455 -1.911 1.00 0.00 N ATOM 431 CA ALA A 27 -11.920 1.399 -2.670 1.00 0.00 C ATOM 432 C ALA A 27 -11.616 0.037 -2.046 1.00 0.00 C ATOM 433 O ALA A 27 -12.502 -0.747 -1.775 1.00 0.00 O ATOM 434 CB ALA A 27 -11.459 1.408 -4.129 1.00 0.00 C ATOM 0 H ALA A 27 -10.567 3.038 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.992 1.590 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.992 0.636 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.669 2.382 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.388 1.213 -4.173 1.00 0.00 H new ATOM 440 N LEU A 28 -10.366 -0.239 -1.803 1.00 0.00 N ATOM 441 CA LEU A 28 -9.992 -1.541 -1.190 1.00 0.00 C ATOM 442 C LEU A 28 -10.668 -1.670 0.174 1.00 0.00 C ATOM 443 O LEU A 28 -11.043 -2.744 0.594 1.00 0.00 O ATOM 444 CB LEU A 28 -8.468 -1.574 -0.984 1.00 0.00 C ATOM 445 CG LEU A 28 -7.739 -2.014 -2.261 1.00 0.00 C ATOM 446 CD1 LEU A 28 -8.133 -3.458 -2.648 1.00 0.00 C ATOM 447 CD2 LEU A 28 -8.068 -1.046 -3.403 1.00 0.00 C ATOM 0 H LEU A 28 -9.584 0.385 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.306 -2.357 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.118 -0.586 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.224 -2.257 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.665 -1.996 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.604 -3.748 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.865 -4.137 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.208 -3.508 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.549 -1.361 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.143 -1.047 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.746 -0.041 -3.132 1.00 0.00 H new ATOM 459 N SER A 29 -10.804 -0.586 0.870 1.00 0.00 N ATOM 460 CA SER A 29 -11.424 -0.639 2.224 1.00 0.00 C ATOM 461 C SER A 29 -12.889 -1.093 2.129 1.00 0.00 C ATOM 462 O SER A 29 -13.302 -2.016 2.805 1.00 0.00 O ATOM 463 CB SER A 29 -11.342 0.755 2.851 1.00 0.00 C ATOM 464 OG SER A 29 -10.136 1.383 2.434 1.00 0.00 O ATOM 0 H SER A 29 -10.513 0.342 0.563 1.00 0.00 H new ATOM 0 HA SER A 29 -10.889 -1.358 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.201 1.354 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.371 0.681 3.938 1.00 0.00 H new ATOM 0 HG SER A 29 -10.127 1.457 1.457 1.00 0.00 H new ATOM 470 N ARG A 30 -13.676 -0.455 1.311 1.00 0.00 N ATOM 471 CA ARG A 30 -15.108 -0.859 1.193 1.00 0.00 C ATOM 472 C ARG A 30 -15.223 -2.235 0.531 1.00 0.00 C ATOM 473 O ARG A 30 -16.208 -2.927 0.690 1.00 0.00 O ATOM 474 CB ARG A 30 -15.857 0.169 0.348 1.00 0.00 C ATOM 475 CG ARG A 30 -15.110 0.389 -0.967 1.00 0.00 C ATOM 476 CD ARG A 30 -15.877 1.396 -1.820 1.00 0.00 C ATOM 477 NE ARG A 30 -17.246 0.876 -2.089 1.00 0.00 N ATOM 478 CZ ARG A 30 -18.176 1.683 -2.513 1.00 0.00 C ATOM 479 NH1 ARG A 30 -17.908 2.949 -2.691 1.00 0.00 N ATOM 480 NH2 ARG A 30 -19.373 1.227 -2.758 1.00 0.00 N ATOM 0 H ARG A 30 -13.393 0.327 0.720 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.542 -0.909 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.871 -0.177 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.943 1.110 0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.102 0.755 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.007 -0.555 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.935 2.355 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.351 1.569 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.455 -0.111 -1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.971 3.304 -2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.635 3.582 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.581 0.238 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.101 1.859 -3.090 1.00 0.00 H new ATOM 494 N GLN A 31 -14.236 -2.635 -0.222 1.00 0.00 N ATOM 495 CA GLN A 31 -14.312 -3.959 -0.900 1.00 0.00 C ATOM 496 C GLN A 31 -14.263 -5.087 0.140 1.00 0.00 C ATOM 497 O GLN A 31 -14.869 -6.125 -0.041 1.00 0.00 O ATOM 498 CB GLN A 31 -13.137 -4.096 -1.882 1.00 0.00 C ATOM 499 CG GLN A 31 -13.475 -3.393 -3.203 1.00 0.00 C ATOM 500 CD GLN A 31 -12.290 -3.509 -4.165 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.296 -2.824 -4.011 1.00 0.00 O ATOM 502 NE2 GLN A 31 -12.351 -4.355 -5.156 1.00 0.00 N ATOM 0 H GLN A 31 -13.383 -2.104 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.252 -4.031 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.237 -3.661 -1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.925 -5.150 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.363 -3.842 -3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.706 -2.344 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.184 -4.929 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.566 -4.442 -5.801 1.00 0.00 H new ATOM 511 N PHE A 32 -13.547 -4.899 1.225 1.00 0.00 N ATOM 512 CA PHE A 32 -13.457 -5.975 2.270 1.00 0.00 C ATOM 513 C PHE A 32 -14.384 -5.635 3.440 1.00 0.00 C ATOM 514 O PHE A 32 -14.964 -6.514 4.046 1.00 0.00 O ATOM 515 CB PHE A 32 -12.008 -6.089 2.758 1.00 0.00 C ATOM 516 CG PHE A 32 -11.189 -6.800 1.703 1.00 0.00 C ATOM 517 CD1 PHE A 32 -10.772 -6.109 0.549 1.00 0.00 C ATOM 518 CD2 PHE A 32 -10.865 -8.161 1.861 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.032 -6.778 -0.445 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.122 -8.829 0.870 1.00 0.00 C ATOM 521 CZ PHE A 32 -9.706 -8.138 -0.284 1.00 0.00 C ATOM 0 H PHE A 32 -13.022 -4.050 1.433 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.766 -6.929 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.596 -5.098 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.969 -6.638 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.020 -5.065 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.187 -8.693 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.715 -6.248 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.871 -9.872 0.995 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.137 -8.651 -1.045 1.00 0.00 H new ATOM 531 N GLY A 33 -14.557 -4.370 3.743 1.00 0.00 N ATOM 532 CA GLY A 33 -15.487 -3.972 4.854 1.00 0.00 C ATOM 533 C GLY A 33 -14.730 -3.424 6.073 1.00 0.00 C ATOM 534 O GLY A 33 -15.337 -2.873 6.971 1.00 0.00 O ATOM 0 H GLY A 33 -14.095 -3.594 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.183 -3.216 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.082 -4.835 5.155 1.00 0.00 H new ATOM 538 N TYR A 34 -13.429 -3.558 6.139 1.00 0.00 N ATOM 539 CA TYR A 34 -12.711 -3.020 7.339 1.00 0.00 C ATOM 540 C TYR A 34 -13.151 -1.569 7.573 1.00 0.00 C ATOM 541 O TYR A 34 -14.122 -1.306 8.254 1.00 0.00 O ATOM 542 CB TYR A 34 -11.186 -3.059 7.129 1.00 0.00 C ATOM 543 CG TYR A 34 -10.662 -4.477 7.281 1.00 0.00 C ATOM 544 CD1 TYR A 34 -10.840 -5.179 8.494 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.988 -5.097 6.208 1.00 0.00 C ATOM 546 CE1 TYR A 34 -10.348 -6.491 8.628 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.496 -6.407 6.345 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.676 -7.105 7.554 1.00 0.00 C ATOM 549 OH TYR A 34 -9.194 -8.390 7.685 1.00 0.00 O ATOM 0 H TYR A 34 -12.843 -4.005 5.434 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.958 -3.638 8.202 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.940 -2.679 6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.697 -2.405 7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.354 -4.709 9.319 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.850 -4.564 5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.486 -7.027 9.555 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.979 -6.878 5.522 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.203 -8.833 6.811 1.00 0.00 H new ATOM 559 N ALA A 35 -12.455 -0.631 6.997 1.00 0.00 N ATOM 560 CA ALA A 35 -12.835 0.796 7.173 1.00 0.00 C ATOM 561 C ALA A 35 -11.847 1.670 6.374 1.00 0.00 C ATOM 562 O ALA A 35 -10.706 1.289 6.219 1.00 0.00 O ATOM 563 CB ALA A 35 -12.765 1.166 8.659 1.00 0.00 C ATOM 0 H ALA A 35 -11.637 -0.792 6.410 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.851 0.959 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.044 2.212 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.452 0.536 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.749 1.014 9.024 1.00 0.00 H new ATOM 569 N PRO A 36 -12.289 2.818 5.893 1.00 0.00 N ATOM 570 CA PRO A 36 -11.401 3.713 5.124 1.00 0.00 C ATOM 571 C PRO A 36 -10.170 4.093 5.963 1.00 0.00 C ATOM 572 O PRO A 36 -9.086 4.279 5.444 1.00 0.00 O ATOM 573 CB PRO A 36 -12.267 4.956 4.799 1.00 0.00 C ATOM 574 CG PRO A 36 -13.656 4.743 5.471 1.00 0.00 C ATOM 575 CD PRO A 36 -13.672 3.318 6.065 1.00 0.00 C ATOM 0 HA PRO A 36 -11.020 3.244 4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.793 5.863 5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.376 5.077 3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.822 5.485 6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.457 4.863 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.959 3.331 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.389 2.682 5.547 1.00 0.00 H new ATOM 583 N THR A 37 -10.330 4.221 7.253 1.00 0.00 N ATOM 584 CA THR A 37 -9.172 4.598 8.113 1.00 0.00 C ATOM 585 C THR A 37 -8.213 3.413 8.250 1.00 0.00 C ATOM 586 O THR A 37 -7.008 3.574 8.246 1.00 0.00 O ATOM 587 CB THR A 37 -9.677 5.008 9.500 1.00 0.00 C ATOM 588 OG1 THR A 37 -10.140 3.857 10.194 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.822 6.011 9.358 1.00 0.00 C ATOM 0 H THR A 37 -11.211 4.081 7.747 1.00 0.00 H new ATOM 0 HA THR A 37 -8.644 5.433 7.653 1.00 0.00 H new ATOM 0 HB THR A 37 -8.862 5.469 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.462 4.118 11.082 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.178 6.300 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.468 6.895 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.638 5.555 8.798 1.00 0.00 H new ATOM 597 N THR A 38 -8.729 2.222 8.376 1.00 0.00 N ATOM 598 CA THR A 38 -7.838 1.035 8.519 1.00 0.00 C ATOM 599 C THR A 38 -6.852 0.977 7.344 1.00 0.00 C ATOM 600 O THR A 38 -5.652 1.011 7.529 1.00 0.00 O ATOM 601 CB THR A 38 -8.698 -0.243 8.551 1.00 0.00 C ATOM 602 OG1 THR A 38 -9.333 -0.345 9.817 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.823 -1.481 8.325 1.00 0.00 C ATOM 0 H THR A 38 -9.728 2.019 8.386 1.00 0.00 H new ATOM 0 HA THR A 38 -7.271 1.114 9.447 1.00 0.00 H new ATOM 0 HB THR A 38 -9.445 -0.188 7.759 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.883 -1.156 9.843 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.445 -2.376 8.350 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.332 -1.408 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.068 -1.541 9.109 1.00 0.00 H new ATOM 611 N LEU A 39 -7.348 0.866 6.143 1.00 0.00 N ATOM 612 CA LEU A 39 -6.440 0.777 4.963 1.00 0.00 C ATOM 613 C LEU A 39 -5.407 1.917 4.999 1.00 0.00 C ATOM 614 O LEU A 39 -4.213 1.690 5.002 1.00 0.00 O ATOM 615 CB LEU A 39 -7.284 0.856 3.664 1.00 0.00 C ATOM 616 CG LEU A 39 -6.878 -0.235 2.643 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.338 -0.367 2.541 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.495 -1.581 3.055 1.00 0.00 C ATOM 0 H LEU A 39 -8.344 0.833 5.926 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.904 -0.171 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.340 0.747 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.162 1.840 3.211 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.254 0.057 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.086 -1.141 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.912 0.583 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.931 -0.636 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.208 -2.348 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.134 -1.859 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.581 -1.492 3.077 1.00 0.00 H new ATOM 630 N ALA A 40 -5.860 3.138 4.993 1.00 0.00 N ATOM 631 CA ALA A 40 -4.916 4.293 5.000 1.00 0.00 C ATOM 632 C ALA A 40 -3.946 4.177 6.178 1.00 0.00 C ATOM 633 O ALA A 40 -2.743 4.225 6.011 1.00 0.00 O ATOM 634 CB ALA A 40 -5.712 5.594 5.128 1.00 0.00 C ATOM 0 H ALA A 40 -6.849 3.389 4.983 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.347 4.293 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.026 6.441 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.396 5.686 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.282 5.582 6.057 1.00 0.00 H new ATOM 640 N ASN A 41 -4.458 4.040 7.366 1.00 0.00 N ATOM 641 CA ASN A 41 -3.573 3.938 8.560 1.00 0.00 C ATOM 642 C ASN A 41 -2.581 2.779 8.395 1.00 0.00 C ATOM 643 O ASN A 41 -1.655 2.636 9.167 1.00 0.00 O ATOM 644 CB ASN A 41 -4.430 3.706 9.808 1.00 0.00 C ATOM 645 CG ASN A 41 -3.587 3.950 11.059 1.00 0.00 C ATOM 646 OD1 ASN A 41 -3.560 5.044 11.588 1.00 0.00 O ATOM 647 ND2 ASN A 41 -2.897 2.964 11.564 1.00 0.00 N ATOM 0 H ASN A 41 -5.457 3.994 7.564 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.011 4.866 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.291 4.375 9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.818 2.687 9.811 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.335 3.112 12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.920 2.046 11.120 1.00 0.00 H new ATOM 654 N ALA A 42 -2.765 1.946 7.405 1.00 0.00 N ATOM 655 CA ALA A 42 -1.824 0.803 7.216 1.00 0.00 C ATOM 656 C ALA A 42 -0.486 1.302 6.665 1.00 0.00 C ATOM 657 O ALA A 42 0.438 0.536 6.475 1.00 0.00 O ATOM 658 CB ALA A 42 -2.428 -0.199 6.230 1.00 0.00 C ATOM 0 H ALA A 42 -3.521 2.007 6.723 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.658 0.323 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.740 -1.034 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.375 -0.570 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.600 0.292 5.272 1.00 0.00 H new ATOM 664 N LEU A 43 -0.380 2.569 6.381 1.00 0.00 N ATOM 665 CA LEU A 43 0.896 3.103 5.818 1.00 0.00 C ATOM 666 C LEU A 43 1.901 3.423 6.936 1.00 0.00 C ATOM 667 O LEU A 43 3.000 3.861 6.660 1.00 0.00 O ATOM 668 CB LEU A 43 0.604 4.385 5.022 1.00 0.00 C ATOM 669 CG LEU A 43 -0.089 4.040 3.684 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.900 5.245 3.197 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.957 3.683 2.616 1.00 0.00 C ATOM 0 H LEU A 43 -1.119 3.259 6.513 1.00 0.00 H new ATOM 0 HA LEU A 43 1.329 2.343 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.032 5.048 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.533 4.922 4.830 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.747 3.186 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.387 4.998 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.656 5.499 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.235 6.096 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.453 3.442 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.624 4.531 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.537 2.822 2.948 1.00 0.00 H new ATOM 683 N GLU A 44 1.539 3.237 8.190 1.00 0.00 N ATOM 684 CA GLU A 44 2.496 3.568 9.306 1.00 0.00 C ATOM 685 C GLU A 44 2.584 2.439 10.343 1.00 0.00 C ATOM 686 O GLU A 44 3.657 2.115 10.812 1.00 0.00 O ATOM 687 CB GLU A 44 2.046 4.864 9.999 1.00 0.00 C ATOM 688 CG GLU A 44 0.579 4.756 10.457 1.00 0.00 C ATOM 689 CD GLU A 44 0.491 4.069 11.827 1.00 0.00 C ATOM 690 OE1 GLU A 44 1.526 3.715 12.366 1.00 0.00 O ATOM 691 OE2 GLU A 44 -0.618 3.907 12.313 1.00 0.00 O ATOM 0 H GLU A 44 0.633 2.875 8.487 1.00 0.00 H new ATOM 0 HA GLU A 44 3.486 3.695 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.686 5.064 10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.158 5.705 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.136 5.750 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.004 4.192 9.723 1.00 0.00 H new ATOM 698 N ARG A 45 1.486 1.856 10.741 1.00 0.00 N ATOM 699 CA ARG A 45 1.569 0.776 11.773 1.00 0.00 C ATOM 700 C ARG A 45 2.078 -0.525 11.150 1.00 0.00 C ATOM 701 O ARG A 45 2.134 -0.672 9.947 1.00 0.00 O ATOM 702 CB ARG A 45 0.191 0.543 12.403 1.00 0.00 C ATOM 703 CG ARG A 45 -0.818 0.130 11.328 1.00 0.00 C ATOM 704 CD ARG A 45 -2.160 -0.184 11.991 1.00 0.00 C ATOM 705 NE ARG A 45 -2.050 -1.475 12.728 1.00 0.00 N ATOM 706 CZ ARG A 45 -2.968 -1.816 13.589 1.00 0.00 C ATOM 707 NH1 ARG A 45 -3.984 -1.027 13.803 1.00 0.00 N ATOM 708 NH2 ARG A 45 -2.871 -2.945 14.235 1.00 0.00 N ATOM 0 H ARG A 45 0.548 2.074 10.405 1.00 0.00 H new ATOM 0 HA ARG A 45 2.269 1.092 12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.258 -0.232 13.166 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.148 1.452 12.901 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.938 0.931 10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.453 -0.743 10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.438 0.617 12.676 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.946 -0.247 11.238 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.256 -2.092 12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.060 -0.145 13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.703 -1.292 14.476 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.076 -3.562 14.067 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.590 -3.211 14.908 1.00 0.00 H new ATOM 722 N HIS A 46 2.435 -1.481 11.971 1.00 0.00 N ATOM 723 CA HIS A 46 2.931 -2.784 11.440 1.00 0.00 C ATOM 724 C HIS A 46 1.738 -3.683 11.121 1.00 0.00 C ATOM 725 O HIS A 46 1.042 -4.148 12.002 1.00 0.00 O ATOM 726 CB HIS A 46 3.813 -3.468 12.488 1.00 0.00 C ATOM 727 CG HIS A 46 4.473 -4.672 11.873 1.00 0.00 C ATOM 728 ND1 HIS A 46 5.394 -4.566 10.841 1.00 0.00 N ATOM 729 CD2 HIS A 46 4.350 -6.016 12.128 1.00 0.00 C ATOM 730 CE1 HIS A 46 5.785 -5.812 10.516 1.00 0.00 C ATOM 731 NE2 HIS A 46 5.180 -6.733 11.270 1.00 0.00 N ATOM 0 H HIS A 46 2.404 -1.413 12.988 1.00 0.00 H new ATOM 0 HA HIS A 46 3.515 -2.608 10.537 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.568 -2.773 12.854 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.212 -3.767 13.347 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.707 -6.451 12.879 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.501 -6.039 9.740 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.300 -7.745 11.227 1.00 0.00 H new ATOM 739 N TRP A 47 1.503 -3.936 9.869 1.00 0.00 N ATOM 740 CA TRP A 47 0.364 -4.808 9.479 1.00 0.00 C ATOM 741 C TRP A 47 0.554 -5.210 8.008 1.00 0.00 C ATOM 742 O TRP A 47 -0.143 -4.719 7.142 1.00 0.00 O ATOM 743 CB TRP A 47 -0.948 -4.031 9.656 1.00 0.00 C ATOM 744 CG TRP A 47 -2.110 -4.905 9.299 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.304 -6.173 9.739 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.245 -4.592 8.444 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.475 -6.661 9.194 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.093 -5.729 8.388 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.615 -3.444 7.710 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.268 -5.729 7.631 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -4.802 -3.438 6.945 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.625 -4.582 6.906 1.00 0.00 C ATOM 0 H TRP A 47 2.055 -3.574 9.091 1.00 0.00 H new ATOM 0 HA TRP A 47 0.326 -5.702 10.102 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.042 -3.689 10.687 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -0.943 -3.142 9.025 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.649 -6.713 10.407 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.839 -7.598 9.367 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.987 -2.566 7.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.897 -6.606 7.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.080 -2.555 6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.531 -4.575 6.318 1.00 0.00 H new ATOM 763 N PRO A 48 1.532 -6.064 7.762 1.00 0.00 N ATOM 764 CA PRO A 48 1.856 -6.511 6.389 1.00 0.00 C ATOM 765 C PRO A 48 0.632 -7.128 5.686 1.00 0.00 C ATOM 766 O PRO A 48 0.603 -7.242 4.474 1.00 0.00 O ATOM 767 CB PRO A 48 2.997 -7.543 6.571 1.00 0.00 C ATOM 768 CG PRO A 48 3.450 -7.468 8.056 1.00 0.00 C ATOM 769 CD PRO A 48 2.393 -6.647 8.821 1.00 0.00 C ATOM 0 HA PRO A 48 2.157 -5.681 5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.651 -8.547 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.829 -7.319 5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.540 -8.468 8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.431 -6.999 8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.816 -7.277 9.498 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.858 -5.869 9.427 1.00 0.00 H new ATOM 777 N LYS A 49 -0.378 -7.518 6.412 1.00 0.00 N ATOM 778 CA LYS A 49 -1.570 -8.112 5.738 1.00 0.00 C ATOM 779 C LYS A 49 -2.321 -7.000 4.996 1.00 0.00 C ATOM 780 O LYS A 49 -3.055 -7.248 4.060 1.00 0.00 O ATOM 781 CB LYS A 49 -2.479 -8.775 6.788 1.00 0.00 C ATOM 782 CG LYS A 49 -3.456 -9.788 6.129 1.00 0.00 C ATOM 783 CD LYS A 49 -4.832 -9.142 5.914 1.00 0.00 C ATOM 784 CE LYS A 49 -5.786 -10.159 5.283 1.00 0.00 C ATOM 785 NZ LYS A 49 -7.181 -9.641 5.359 1.00 0.00 N ATOM 0 H LYS A 49 -0.432 -7.454 7.429 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.260 -8.874 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.867 -9.287 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.047 -8.009 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.052 -10.124 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.556 -10.670 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.234 -8.794 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.738 -8.268 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.509 -10.338 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.712 -11.115 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.849 -10.437 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.310 -9.120 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.359 -9.004 4.556 1.00 0.00 H new ATOM 799 N GLY A 50 -2.119 -5.769 5.387 1.00 0.00 N ATOM 800 CA GLY A 50 -2.800 -4.641 4.685 1.00 0.00 C ATOM 801 C GLY A 50 -2.126 -4.433 3.330 1.00 0.00 C ATOM 802 O GLY A 50 -2.728 -3.965 2.384 1.00 0.00 O ATOM 0 H GLY A 50 -1.513 -5.496 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.859 -4.863 4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.738 -3.731 5.282 1.00 0.00 H new ATOM 806 N GLU A 51 -0.875 -4.791 3.230 1.00 0.00 N ATOM 807 CA GLU A 51 -0.152 -4.636 1.942 1.00 0.00 C ATOM 808 C GLU A 51 -0.697 -5.679 0.969 1.00 0.00 C ATOM 809 O GLU A 51 -0.794 -5.452 -0.220 1.00 0.00 O ATOM 810 CB GLU A 51 1.350 -4.865 2.157 1.00 0.00 C ATOM 811 CG GLU A 51 1.833 -4.097 3.397 1.00 0.00 C ATOM 812 CD GLU A 51 1.841 -2.594 3.106 1.00 0.00 C ATOM 813 OE1 GLU A 51 0.784 -2.054 2.827 1.00 0.00 O ATOM 814 OE2 GLU A 51 2.909 -2.008 3.169 1.00 0.00 O ATOM 0 H GLU A 51 -0.322 -5.186 3.991 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.297 -3.631 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.549 -5.930 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.905 -4.536 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.181 -4.309 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.834 -4.428 3.674 1.00 0.00 H new ATOM 821 N GLN A 52 -1.062 -6.823 1.481 1.00 0.00 N ATOM 822 CA GLN A 52 -1.615 -7.890 0.605 1.00 0.00 C ATOM 823 C GLN A 52 -2.898 -7.377 -0.052 1.00 0.00 C ATOM 824 O GLN A 52 -3.127 -7.578 -1.224 1.00 0.00 O ATOM 825 CB GLN A 52 -1.934 -9.128 1.445 1.00 0.00 C ATOM 826 CG GLN A 52 -0.635 -9.727 1.986 1.00 0.00 C ATOM 827 CD GLN A 52 -0.937 -11.055 2.681 1.00 0.00 C ATOM 828 OE1 GLN A 52 -0.048 -11.703 3.194 1.00 0.00 O ATOM 829 NE2 GLN A 52 -2.168 -11.490 2.716 1.00 0.00 N ATOM 0 H GLN A 52 -1.000 -7.063 2.470 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.885 -8.153 -0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.595 -8.860 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.462 -9.865 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.073 -9.883 1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.167 -9.036 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.914 -10.945 2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.383 -12.375 3.175 1.00 0.00 H new ATOM 838 N ILE A 53 -3.732 -6.706 0.698 1.00 0.00 N ATOM 839 CA ILE A 53 -5.001 -6.180 0.117 1.00 0.00 C ATOM 840 C ILE A 53 -4.688 -5.297 -1.098 1.00 0.00 C ATOM 841 O ILE A 53 -5.239 -5.477 -2.166 1.00 0.00 O ATOM 842 CB ILE A 53 -5.743 -5.358 1.177 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.138 -6.278 2.344 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.002 -4.741 0.557 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.715 -5.458 3.513 1.00 0.00 C ATOM 0 H ILE A 53 -3.589 -6.500 1.687 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.628 -7.013 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.096 -4.561 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.875 -7.007 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.267 -6.839 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.530 -4.156 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.719 -4.093 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.654 -5.534 0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.988 -6.128 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.967 -4.747 3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.600 -4.917 3.176 1.00 0.00 H new ATOM 857 N ILE A 54 -3.820 -4.335 -0.942 1.00 0.00 N ATOM 858 CA ILE A 54 -3.491 -3.435 -2.087 1.00 0.00 C ATOM 859 C ILE A 54 -2.810 -4.229 -3.203 1.00 0.00 C ATOM 860 O ILE A 54 -3.221 -4.193 -4.344 1.00 0.00 O ATOM 861 CB ILE A 54 -2.546 -2.331 -1.603 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.279 -1.462 -0.568 1.00 0.00 C ATOM 863 CG2 ILE A 54 -2.126 -1.472 -2.801 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.276 -0.635 0.254 1.00 0.00 C ATOM 0 H ILE A 54 -3.325 -4.132 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.411 -2.997 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.660 -2.769 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.978 -0.797 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.866 -2.096 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.453 -0.683 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.616 -2.096 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.010 -1.025 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.815 -0.027 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.594 -1.305 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.708 0.014 -0.412 1.00 0.00 H new ATOM 876 N ALA A 55 -1.762 -4.933 -2.887 1.00 0.00 N ATOM 877 CA ALA A 55 -1.047 -5.715 -3.933 1.00 0.00 C ATOM 878 C ALA A 55 -1.988 -6.760 -4.537 1.00 0.00 C ATOM 879 O ALA A 55 -1.839 -7.160 -5.675 1.00 0.00 O ATOM 880 CB ALA A 55 0.150 -6.420 -3.295 1.00 0.00 C ATOM 0 H ALA A 55 -1.368 -5.002 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.708 -5.043 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.680 -6.996 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.823 -5.678 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.199 -7.090 -2.509 1.00 0.00 H new ATOM 886 N ASN A 56 -2.955 -7.209 -3.785 1.00 0.00 N ATOM 887 CA ASN A 56 -3.900 -8.235 -4.320 1.00 0.00 C ATOM 888 C ASN A 56 -4.598 -7.695 -5.570 1.00 0.00 C ATOM 889 O ASN A 56 -4.651 -8.346 -6.594 1.00 0.00 O ATOM 890 CB ASN A 56 -4.951 -8.587 -3.260 1.00 0.00 C ATOM 891 CG ASN A 56 -5.984 -9.541 -3.863 1.00 0.00 C ATOM 892 OD1 ASN A 56 -6.803 -9.141 -4.666 1.00 0.00 O ATOM 893 ND2 ASN A 56 -5.978 -10.797 -3.507 1.00 0.00 N ATOM 0 H ASN A 56 -3.133 -6.912 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.337 -9.132 -4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.472 -9.051 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.441 -7.681 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.661 -11.443 -3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.290 -11.133 -2.833 1.00 0.00 H new ATOM 900 N ALA A 57 -5.152 -6.518 -5.486 1.00 0.00 N ATOM 901 CA ALA A 57 -5.866 -5.942 -6.659 1.00 0.00 C ATOM 902 C ALA A 57 -4.894 -5.701 -7.820 1.00 0.00 C ATOM 903 O ALA A 57 -5.288 -5.672 -8.970 1.00 0.00 O ATOM 904 CB ALA A 57 -6.522 -4.624 -6.249 1.00 0.00 C ATOM 0 H ALA A 57 -5.141 -5.929 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.628 -6.647 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.047 -4.197 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.232 -4.806 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.756 -3.927 -5.908 1.00 0.00 H new ATOM 910 N LEU A 58 -3.627 -5.525 -7.543 1.00 0.00 N ATOM 911 CA LEU A 58 -2.648 -5.285 -8.647 1.00 0.00 C ATOM 912 C LEU A 58 -2.136 -6.634 -9.161 1.00 0.00 C ATOM 913 O LEU A 58 -1.212 -6.699 -9.945 1.00 0.00 O ATOM 914 CB LEU A 58 -1.465 -4.463 -8.108 1.00 0.00 C ATOM 915 CG LEU A 58 -1.790 -2.959 -8.116 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.739 -2.228 -7.269 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.776 -2.405 -9.560 1.00 0.00 C ATOM 0 H LEU A 58 -3.229 -5.537 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.131 -4.739 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.228 -4.782 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.580 -4.651 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.786 -2.802 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.955 -1.160 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.766 -2.608 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.251 -2.396 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.008 -1.340 -9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.789 -2.554 -9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.521 -2.930 -10.158 1.00 0.00 H new ATOM 929 N GLU A 59 -2.731 -7.712 -8.728 1.00 0.00 N ATOM 930 CA GLU A 59 -2.273 -9.050 -9.197 1.00 0.00 C ATOM 931 C GLU A 59 -0.758 -9.167 -9.002 1.00 0.00 C ATOM 932 O GLU A 59 -0.124 -10.050 -9.547 1.00 0.00 O ATOM 933 CB GLU A 59 -2.608 -9.219 -10.681 1.00 0.00 C ATOM 934 CG GLU A 59 -4.098 -8.954 -10.906 1.00 0.00 C ATOM 935 CD GLU A 59 -4.470 -9.320 -12.345 1.00 0.00 C ATOM 936 OE1 GLU A 59 -4.454 -10.500 -12.657 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.765 -8.417 -13.110 1.00 0.00 O ATOM 0 H GLU A 59 -3.512 -7.724 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.778 -9.826 -8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.012 -8.530 -11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.354 -10.227 -11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.692 -9.540 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.324 -7.905 -10.716 1.00 0.00 H new ATOM 944 N THR A 60 -0.175 -8.284 -8.224 1.00 0.00 N ATOM 945 CA THR A 60 1.305 -8.333 -7.986 1.00 0.00 C ATOM 946 C THR A 60 1.577 -8.752 -6.538 1.00 0.00 C ATOM 947 O THR A 60 0.673 -9.112 -5.807 1.00 0.00 O ATOM 948 CB THR A 60 1.912 -6.946 -8.258 1.00 0.00 C ATOM 949 OG1 THR A 60 3.318 -7.070 -8.388 1.00 0.00 O ATOM 950 CG2 THR A 60 1.588 -5.976 -7.113 1.00 0.00 C ATOM 0 H THR A 60 -0.662 -7.529 -7.742 1.00 0.00 H new ATOM 0 HA THR A 60 1.761 -9.060 -8.657 1.00 0.00 H new ATOM 0 HB THR A 60 1.484 -6.550 -9.179 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.692 -6.227 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.027 -5.001 -7.327 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.507 -5.874 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.000 -6.363 -6.181 1.00 0.00 H new ATOM 958 N LYS A 61 2.820 -8.714 -6.121 1.00 0.00 N ATOM 959 CA LYS A 61 3.176 -9.111 -4.722 1.00 0.00 C ATOM 960 C LYS A 61 3.526 -7.839 -3.918 1.00 0.00 C ATOM 961 O LYS A 61 4.025 -6.893 -4.493 1.00 0.00 O ATOM 962 CB LYS A 61 4.403 -10.042 -4.768 1.00 0.00 C ATOM 963 CG LYS A 61 4.287 -11.019 -5.956 1.00 0.00 C ATOM 964 CD LYS A 61 4.581 -10.306 -7.309 1.00 0.00 C ATOM 965 CE LYS A 61 5.530 -11.155 -8.170 1.00 0.00 C ATOM 966 NZ LYS A 61 5.650 -10.550 -9.525 1.00 0.00 N ATOM 0 H LYS A 61 3.610 -8.422 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 61 2.340 -9.627 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.314 -9.451 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.480 -10.600 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.985 -11.845 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.285 -11.448 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.648 -10.134 -7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.026 -9.329 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.511 -11.213 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.153 -12.175 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.292 -11.125 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.713 -10.516 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.029 -9.585 -9.442 1.00 0.00 H new ATOM 980 N PRO A 62 3.281 -7.834 -2.613 1.00 0.00 N ATOM 981 CA PRO A 62 3.608 -6.653 -1.787 1.00 0.00 C ATOM 982 C PRO A 62 5.107 -6.351 -1.921 1.00 0.00 C ATOM 983 O PRO A 62 5.546 -5.228 -1.778 1.00 0.00 O ATOM 984 CB PRO A 62 3.235 -7.056 -0.338 1.00 0.00 C ATOM 985 CG PRO A 62 2.744 -8.533 -0.381 1.00 0.00 C ATOM 986 CD PRO A 62 2.682 -8.963 -1.864 1.00 0.00 C ATOM 0 HA PRO A 62 3.071 -5.753 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.096 -6.956 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.455 -6.403 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.423 -9.178 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.763 -8.624 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.236 -9.887 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.655 -9.146 -2.180 1.00 0.00 H new ATOM 994 N GLU A 63 5.886 -7.362 -2.192 1.00 0.00 N ATOM 995 CA GLU A 63 7.353 -7.166 -2.339 1.00 0.00 C ATOM 996 C GLU A 63 7.639 -6.180 -3.479 1.00 0.00 C ATOM 997 O GLU A 63 8.755 -5.738 -3.659 1.00 0.00 O ATOM 998 CB GLU A 63 8.006 -8.518 -2.651 1.00 0.00 C ATOM 999 CG GLU A 63 7.315 -9.620 -1.836 1.00 0.00 C ATOM 1000 CD GLU A 63 8.204 -10.864 -1.795 1.00 0.00 C ATOM 1001 OE1 GLU A 63 8.560 -11.349 -2.855 1.00 0.00 O ATOM 1002 OE2 GLU A 63 8.514 -11.308 -0.702 1.00 0.00 O ATOM 0 H GLU A 63 5.565 -8.322 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 63 7.762 -6.761 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.927 -8.735 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.069 -8.485 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.118 -9.268 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.351 -9.865 -2.281 1.00 0.00 H new ATOM 1009 N VAL A 64 6.643 -5.840 -4.259 1.00 0.00 N ATOM 1010 CA VAL A 64 6.870 -4.893 -5.396 1.00 0.00 C ATOM 1011 C VAL A 64 6.605 -3.456 -4.948 1.00 0.00 C ATOM 1012 O VAL A 64 7.219 -2.526 -5.434 1.00 0.00 O ATOM 1013 CB VAL A 64 5.920 -5.237 -6.546 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.175 -4.282 -7.716 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.171 -6.678 -6.999 1.00 0.00 C ATOM 0 H VAL A 64 5.685 -6.176 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 64 7.905 -4.984 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 64 4.888 -5.136 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.500 -4.524 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.000 -3.256 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.207 -4.386 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.495 -6.925 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.202 -6.779 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.994 -7.358 -6.165 1.00 0.00 H new ATOM 1025 N ILE A 65 5.698 -3.255 -4.029 1.00 0.00 N ATOM 1026 CA ILE A 65 5.402 -1.864 -3.566 1.00 0.00 C ATOM 1027 C ILE A 65 6.319 -1.500 -2.394 1.00 0.00 C ATOM 1028 O ILE A 65 6.669 -0.352 -2.213 1.00 0.00 O ATOM 1029 CB ILE A 65 3.935 -1.772 -3.130 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.024 -2.132 -4.321 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.630 -0.345 -2.659 1.00 0.00 C ATOM 1032 CD1 ILE A 65 1.643 -2.583 -3.820 1.00 0.00 C ATOM 0 H ILE A 65 5.151 -3.989 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 65 5.579 -1.165 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 65 3.752 -2.468 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.916 -1.269 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.482 -2.927 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.587 -0.279 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.275 -0.094 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.810 0.354 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.011 -2.834 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.756 -3.459 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.181 -1.776 -3.251 1.00 0.00 H new ATOM 1044 N TRP A 66 6.724 -2.467 -1.601 1.00 0.00 N ATOM 1045 CA TRP A 66 7.629 -2.174 -0.435 1.00 0.00 C ATOM 1046 C TRP A 66 8.811 -3.165 -0.421 1.00 0.00 C ATOM 1047 O TRP A 66 8.870 -4.021 0.436 1.00 0.00 O ATOM 1048 CB TRP A 66 6.830 -2.317 0.868 1.00 0.00 C ATOM 1049 CG TRP A 66 5.857 -1.186 0.966 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.170 0.073 1.355 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.433 -1.182 0.665 1.00 0.00 C ATOM 1052 NE1 TRP A 66 5.030 0.856 1.301 1.00 0.00 N ATOM 1053 CE2 TRP A 66 3.931 0.131 0.881 1.00 0.00 C ATOM 1054 CE3 TRP A 66 3.531 -2.179 0.223 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.581 0.447 0.664 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.170 -1.865 0.004 1.00 0.00 C ATOM 1057 CH2 TRP A 66 1.699 -0.554 0.224 1.00 0.00 C ATOM 0 H TRP A 66 6.468 -3.448 -1.710 1.00 0.00 H new ATOM 0 HA TRP A 66 8.017 -1.159 -0.526 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.302 -3.271 0.884 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.503 -2.311 1.725 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.150 0.411 1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.004 1.847 1.542 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.884 -3.185 0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.223 1.452 0.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.488 -2.632 -0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.659 -0.319 0.054 1.00 0.00 H new ATOM 1068 N PRO A 67 9.725 -3.023 -1.361 1.00 0.00 N ATOM 1069 CA PRO A 67 10.906 -3.912 -1.446 1.00 0.00 C ATOM 1070 C PRO A 67 11.861 -3.606 -0.284 1.00 0.00 C ATOM 1071 O PRO A 67 12.818 -4.317 -0.047 1.00 0.00 O ATOM 1072 CB PRO A 67 11.563 -3.561 -2.801 1.00 0.00 C ATOM 1073 CG PRO A 67 10.896 -2.250 -3.305 1.00 0.00 C ATOM 1074 CD PRO A 67 9.666 -1.981 -2.411 1.00 0.00 C ATOM 0 HA PRO A 67 10.649 -4.969 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.638 -3.426 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.419 -4.368 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.598 -1.418 -3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.597 -2.349 -4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.703 -0.981 -1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.740 -2.047 -2.982 1.00 0.00 H new ATOM 1082 N SER A 68 11.608 -2.526 0.405 1.00 0.00 N ATOM 1083 CA SER A 68 12.475 -2.091 1.544 1.00 0.00 C ATOM 1084 C SER A 68 13.121 -3.274 2.273 1.00 0.00 C ATOM 1085 O SER A 68 14.312 -3.491 2.168 1.00 0.00 O ATOM 1086 CB SER A 68 11.627 -1.299 2.538 1.00 0.00 C ATOM 1087 OG SER A 68 12.482 -0.634 3.457 1.00 0.00 O ATOM 0 H SER A 68 10.816 -1.910 0.222 1.00 0.00 H new ATOM 0 HA SER A 68 13.277 -1.478 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.008 -0.574 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.951 -1.968 3.071 1.00 0.00 H new ATOM 0 HG SER A 68 11.942 -0.123 4.096 1.00 0.00 H new ATOM 1093 N ARG A 69 12.365 -4.018 3.043 1.00 0.00 N ATOM 1094 CA ARG A 69 12.967 -5.154 3.816 1.00 0.00 C ATOM 1095 C ARG A 69 12.758 -6.501 3.112 1.00 0.00 C ATOM 1096 O ARG A 69 13.037 -7.536 3.680 1.00 0.00 O ATOM 1097 CB ARG A 69 12.311 -5.214 5.198 1.00 0.00 C ATOM 1098 CG ARG A 69 12.781 -4.025 6.050 1.00 0.00 C ATOM 1099 CD ARG A 69 12.263 -4.167 7.500 1.00 0.00 C ATOM 1100 NE ARG A 69 11.683 -2.866 7.967 1.00 0.00 N ATOM 1101 CZ ARG A 69 12.323 -1.739 7.796 1.00 0.00 C ATOM 1102 NH1 ARG A 69 13.530 -1.736 7.300 1.00 0.00 N ATOM 1103 NH2 ARG A 69 11.765 -0.613 8.150 1.00 0.00 N ATOM 0 H ARG A 69 11.361 -3.890 3.171 1.00 0.00 H new ATOM 0 HA ARG A 69 14.040 -4.976 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.226 -5.194 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 69 12.568 -6.151 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.870 -3.976 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.419 -3.093 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.507 -4.950 7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.078 -4.468 8.158 1.00 0.00 H new ATOM 0 HE ARG A 69 10.772 -2.860 8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.978 -2.616 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.025 -0.854 7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.831 -0.613 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.263 0.267 8.017 1.00 0.00 H new ATOM 1117 N TYR A 70 12.290 -6.512 1.887 1.00 0.00 N ATOM 1118 CA TYR A 70 12.085 -7.820 1.167 1.00 0.00 C ATOM 1119 C TYR A 70 13.228 -8.029 0.164 1.00 0.00 C ATOM 1120 O TYR A 70 13.620 -7.121 -0.541 1.00 0.00 O ATOM 1121 CB TYR A 70 10.745 -7.798 0.408 1.00 0.00 C ATOM 1122 CG TYR A 70 9.602 -8.132 1.347 1.00 0.00 C ATOM 1123 CD1 TYR A 70 9.540 -9.397 1.968 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.595 -7.184 1.594 1.00 0.00 C ATOM 1125 CE1 TYR A 70 8.474 -9.705 2.836 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.529 -7.490 2.461 1.00 0.00 C ATOM 1127 CZ TYR A 70 7.468 -8.752 3.081 1.00 0.00 C ATOM 1128 OH TYR A 70 6.421 -9.055 3.929 1.00 0.00 O ATOM 0 H TYR A 70 12.041 -5.680 1.353 1.00 0.00 H new ATOM 0 HA TYR A 70 12.073 -8.632 1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.586 -6.814 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.772 -8.515 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.310 -10.130 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.639 -6.216 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.429 -10.673 3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.759 -6.757 2.650 1.00 0.00 H new ATOM 0 HH TYR A 70 5.816 -8.287 3.989 1.00 0.00 H new ATOM 1138 N GLN A 71 13.768 -9.219 0.106 1.00 0.00 N ATOM 1139 CA GLN A 71 14.886 -9.491 -0.843 1.00 0.00 C ATOM 1140 C GLN A 71 14.998 -11.002 -1.074 1.00 0.00 C ATOM 1141 O GLN A 71 16.059 -11.581 -0.956 1.00 0.00 O ATOM 1142 CB GLN A 71 16.195 -8.967 -0.247 1.00 0.00 C ATOM 1143 CG GLN A 71 17.263 -8.881 -1.339 1.00 0.00 C ATOM 1144 CD GLN A 71 18.638 -8.703 -0.692 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.823 -9.020 0.467 1.00 0.00 O ATOM 1146 NE2 GLN A 71 19.617 -8.203 -1.396 1.00 0.00 N ATOM 0 H GLN A 71 13.482 -10.015 0.676 1.00 0.00 H new ATOM 0 HA GLN A 71 14.692 -8.991 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.036 -7.984 0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.531 -9.627 0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.250 -9.785 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.051 -8.045 -2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.462 -7.937 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.537 -8.078 -0.974 1.00 0.00 H new ATOM 1155 N ALA A 72 13.906 -11.649 -1.393 1.00 0.00 N ATOM 1156 CA ALA A 72 13.941 -13.127 -1.622 1.00 0.00 C ATOM 1157 C ALA A 72 14.094 -13.423 -3.115 1.00 0.00 C ATOM 1158 O ALA A 72 14.125 -14.564 -3.530 1.00 0.00 O ATOM 1159 CB ALA A 72 12.634 -13.743 -1.117 1.00 0.00 C ATOM 0 H ALA A 72 12.989 -11.217 -1.505 1.00 0.00 H new ATOM 0 HA ALA A 72 14.788 -13.554 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.652 -14.820 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.524 -13.540 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.794 -13.308 -1.658 1.00 0.00 H new ATOM 1165 N GLY A 73 14.187 -12.403 -3.930 1.00 0.00 N ATOM 1166 CA GLY A 73 14.336 -12.624 -5.402 1.00 0.00 C ATOM 1167 C GLY A 73 15.287 -11.579 -5.983 1.00 0.00 C ATOM 1168 O GLY A 73 16.470 -11.578 -5.702 1.00 0.00 O ATOM 0 H GLY A 73 14.166 -11.425 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.720 -13.626 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.364 -12.557 -5.890 1.00 0.00 H new ATOM 1172 N GLU A 74 14.782 -10.688 -6.794 1.00 0.00 N ATOM 1173 CA GLU A 74 15.652 -9.639 -7.405 1.00 0.00 C ATOM 1174 C GLU A 74 14.862 -8.334 -7.533 1.00 0.00 C ATOM 1175 O GLU A 74 14.483 -7.793 -6.510 1.00 0.00 O ATOM 1176 CB GLU A 74 16.097 -10.104 -8.795 1.00 0.00 C ATOM 1177 CG GLU A 74 17.253 -9.232 -9.286 1.00 0.00 C ATOM 1178 CD GLU A 74 17.467 -9.465 -10.783 1.00 0.00 C ATOM 1179 OE1 GLU A 74 16.781 -10.314 -11.332 1.00 0.00 O ATOM 1180 OE2 GLU A 74 18.313 -8.796 -11.353 1.00 0.00 O ATOM 1181 OXT GLU A 74 14.653 -7.900 -8.655 1.00 0.00 O ATOM 0 H GLU A 74 13.799 -10.641 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 74 16.526 -9.473 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.407 -11.148 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.262 -10.044 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.035 -8.181 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.163 -9.472 -8.736 1.00 0.00 H new TER 1188 GLU A 74