USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 78 ASN : amide:sc= -0.432 K(o=0.55,f=1.1) USER MOD Set 1.2: A 82 THR OG1 : rot -80:sc= 0.986 USER MOD Set 2.1: A 81 TYR OH : rot 20:sc= 1.25 USER MOD Set 2.2: A 124 GLN : amide:sc= 1.02 K(o=2.3,f=-2.6) USER MOD Single : A 22 SER OG : rot 52:sc= 0.609 USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= 1.08 (180deg=-1.04) USER MOD Single : A 25 TYR OH : rot 32:sc= 0.972 USER MOD Single : A 28 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.12) USER MOD Single : A 30 TYR OH : rot 77:sc= 1.2 USER MOD Single : A 33 THR OG1 : rot 90:sc= 1.68 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 99:sc= 1.23 USER MOD Single : A 43 TYR OH : rot 47:sc= 0.836 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 120:sc= 0.882 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 52:sc= 0.187 USER MOD Single : A 57 SER OG : rot -65:sc= 0.946 USER MOD Single : A 64 ASN : amide:sc= 0.23 K(o=0.23,f=-4.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.015) USER MOD Single : A 86 THR OG1 : rot 106:sc= 1.27 USER MOD Single : A 90 HIS : no HE2:sc= -0.975 X(o=-0.98,f=-1.3) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.03) USER MOD Single : A 100 SER OG : rot 180:sc= 0.241 USER MOD Single : A 103 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0712) USER MOD Single : A 106 SER OG : rot 132:sc= 1.13 USER MOD Single : A 107 SER OG : rot -70:sc= 1.33 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 156:sc= 0.525 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 150:sc= 0.474 (180deg=0.114) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 4.078 16.668 13.019 1.00 0.00 N ATOM 2 CA GLY A 19 2.773 16.449 12.417 1.00 0.00 C ATOM 3 C GLY A 19 2.804 16.771 10.955 1.00 0.00 C ATOM 4 O GLY A 19 3.497 17.715 10.532 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.471 15.412 12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.028 17.069 12.915 1.00 0.00 H new ATOM 10 N ALA A 20 2.092 15.995 10.182 1.00 0.00 N ATOM 11 CA ALA A 20 1.987 16.155 8.755 1.00 0.00 C ATOM 12 C ALA A 20 0.806 15.350 8.305 1.00 0.00 C ATOM 13 O ALA A 20 0.387 14.430 9.023 1.00 0.00 O ATOM 14 CB ALA A 20 3.256 15.678 8.046 1.00 0.00 C ATOM 0 H ALA A 20 1.551 15.208 10.540 1.00 0.00 H new ATOM 0 HA ALA A 20 1.862 17.209 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.144 15.812 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.109 16.258 8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.420 14.623 8.265 1.00 0.00 H new ATOM 20 N ASP A 21 0.251 15.676 7.158 1.00 0.00 N ATOM 21 CA ASP A 21 -0.905 14.938 6.664 1.00 0.00 C ATOM 22 C ASP A 21 -0.464 13.616 6.053 1.00 0.00 C ATOM 23 O ASP A 21 -1.226 12.675 5.979 1.00 0.00 O ATOM 24 CB ASP A 21 -1.757 15.756 5.654 1.00 0.00 C ATOM 25 CG ASP A 21 -1.135 15.924 4.275 1.00 0.00 C ATOM 26 OD1 ASP A 21 -0.523 16.990 3.998 1.00 0.00 O ATOM 27 OD2 ASP A 21 -1.263 15.015 3.438 1.00 0.00 O ATOM 0 H ASP A 21 0.570 16.433 6.554 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.548 14.741 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.726 15.270 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.943 16.744 6.075 1.00 0.00 H new ATOM 32 N SER A 22 0.764 13.550 5.623 1.00 0.00 N ATOM 33 CA SER A 22 1.295 12.331 5.084 1.00 0.00 C ATOM 34 C SER A 22 2.479 11.857 5.931 1.00 0.00 C ATOM 35 O SER A 22 3.377 12.651 6.244 1.00 0.00 O ATOM 36 CB SER A 22 1.744 12.565 3.649 1.00 0.00 C ATOM 37 OG SER A 22 0.674 13.052 2.829 1.00 0.00 O ATOM 0 H SER A 22 1.419 14.331 5.636 1.00 0.00 H new ATOM 0 HA SER A 22 0.522 11.563 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.566 13.281 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.127 11.634 3.232 1.00 0.00 H new ATOM 0 HG SER A 22 0.259 13.829 3.259 1.00 0.00 H new ATOM 43 N CYS A 23 2.501 10.591 6.279 1.00 0.00 N ATOM 44 CA CYS A 23 3.604 10.044 7.051 1.00 0.00 C ATOM 45 C CYS A 23 4.525 9.260 6.134 1.00 0.00 C ATOM 46 O CYS A 23 4.169 8.957 4.985 1.00 0.00 O ATOM 47 CB CYS A 23 3.109 9.182 8.218 1.00 0.00 C ATOM 48 SG CYS A 23 1.984 7.838 7.743 1.00 0.00 S ATOM 0 H CYS A 23 1.772 9.918 6.043 1.00 0.00 H new ATOM 0 HA CYS A 23 4.163 10.870 7.491 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.972 8.753 8.727 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.602 9.825 8.938 1.00 0.00 H new ATOM 53 N LYS A 24 5.695 8.942 6.616 1.00 0.00 N ATOM 54 CA LYS A 24 6.710 8.343 5.800 1.00 0.00 C ATOM 55 C LYS A 24 6.747 6.831 6.052 1.00 0.00 C ATOM 56 O LYS A 24 6.781 6.398 7.209 1.00 0.00 O ATOM 57 CB LYS A 24 8.047 8.991 6.161 1.00 0.00 C ATOM 58 CG LYS A 24 9.074 9.026 5.051 1.00 0.00 C ATOM 59 CD LYS A 24 8.573 9.854 3.868 1.00 0.00 C ATOM 60 CE LYS A 24 9.674 10.093 2.865 1.00 0.00 C ATOM 61 NZ LYS A 24 10.767 10.902 3.431 1.00 0.00 N ATOM 0 H LYS A 24 5.970 9.092 7.587 1.00 0.00 H new ATOM 0 HA LYS A 24 6.502 8.501 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.859 10.013 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.473 8.456 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.006 9.448 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.294 8.010 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.743 9.338 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.190 10.810 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.069 9.136 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.265 10.598 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.908 11.752 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.523 11.184 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.643 10.342 3.443 1.00 0.00 H new ATOM 75 N TYR A 25 6.738 6.041 4.955 1.00 0.00 N ATOM 76 CA TYR A 25 6.739 4.557 5.018 1.00 0.00 C ATOM 77 C TYR A 25 5.406 4.017 5.514 1.00 0.00 C ATOM 78 O TYR A 25 5.346 3.016 6.226 1.00 0.00 O ATOM 79 CB TYR A 25 7.915 3.997 5.859 1.00 0.00 C ATOM 80 CG TYR A 25 9.252 3.938 5.146 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.859 2.715 4.911 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.900 5.083 4.710 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.076 2.629 4.273 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.119 5.010 4.061 1.00 0.00 C ATOM 85 CZ TYR A 25 11.707 3.779 3.848 1.00 0.00 C ATOM 86 OH TYR A 25 12.937 3.704 3.219 1.00 0.00 O ATOM 0 H TYR A 25 6.730 6.409 4.004 1.00 0.00 H new ATOM 0 HA TYR A 25 6.885 4.207 3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.025 4.611 6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.655 2.992 6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.367 1.810 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.446 6.048 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.534 1.665 4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.609 5.911 3.723 1.00 0.00 H new ATOM 0 HH TYR A 25 12.994 2.868 2.711 1.00 0.00 H new ATOM 96 N CYS A 26 4.342 4.630 5.062 1.00 0.00 N ATOM 97 CA CYS A 26 3.018 4.222 5.453 1.00 0.00 C ATOM 98 C CYS A 26 2.222 3.912 4.213 1.00 0.00 C ATOM 99 O CYS A 26 2.572 4.354 3.124 1.00 0.00 O ATOM 100 CB CYS A 26 2.289 5.362 6.144 1.00 0.00 C ATOM 101 SG CYS A 26 3.207 6.254 7.413 1.00 0.00 S ATOM 0 H CYS A 26 4.368 5.420 4.417 1.00 0.00 H new ATOM 0 HA CYS A 26 3.110 3.363 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.976 6.077 5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.382 4.962 6.597 1.00 0.00 H new ATOM 106 N LEU A 27 1.193 3.152 4.372 1.00 0.00 N ATOM 107 CA LEU A 27 0.241 2.925 3.328 1.00 0.00 C ATOM 108 C LEU A 27 -0.991 3.684 3.714 1.00 0.00 C ATOM 109 O LEU A 27 -1.549 3.452 4.792 1.00 0.00 O ATOM 110 CB LEU A 27 -0.074 1.441 3.200 1.00 0.00 C ATOM 111 CG LEU A 27 -1.065 1.026 2.126 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.593 1.427 0.750 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.271 -0.444 2.183 1.00 0.00 C ATOM 0 H LEU A 27 0.982 2.662 5.241 1.00 0.00 H new ATOM 0 HA LEU A 27 0.630 3.255 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.862 0.913 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.454 1.093 4.161 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.007 1.540 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.327 1.114 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.473 2.510 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.363 0.948 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.982 -0.742 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.321 -0.951 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.661 -0.719 3.163 1.00 0.00 H new ATOM 125 N GLN A 28 -1.386 4.621 2.908 1.00 0.00 N ATOM 126 CA GLN A 28 -2.539 5.401 3.241 1.00 0.00 C ATOM 127 C GLN A 28 -3.637 5.068 2.295 1.00 0.00 C ATOM 128 O GLN A 28 -3.468 5.141 1.061 1.00 0.00 O ATOM 129 CB GLN A 28 -2.196 6.869 3.139 1.00 0.00 C ATOM 130 CG GLN A 28 -1.066 7.272 4.058 1.00 0.00 C ATOM 131 CD GLN A 28 -0.506 8.637 3.727 1.00 0.00 C ATOM 132 OE1 GLN A 28 -0.922 9.641 4.267 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.414 8.681 2.796 1.00 0.00 N ATOM 0 H GLN A 28 -0.934 4.863 2.026 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.859 5.181 4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.922 7.103 2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.080 7.461 3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.422 7.269 5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.269 6.531 3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.742 7.818 2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.803 9.578 2.505 1.00 0.00 H new ATOM 142 N LEU A 29 -4.729 4.676 2.845 1.00 0.00 N ATOM 143 CA LEU A 29 -5.878 4.374 2.076 1.00 0.00 C ATOM 144 C LEU A 29 -6.921 5.419 2.322 1.00 0.00 C ATOM 145 O LEU A 29 -7.248 5.697 3.475 1.00 0.00 O ATOM 146 CB LEU A 29 -6.387 2.965 2.357 1.00 0.00 C ATOM 147 CG LEU A 29 -5.348 1.843 2.167 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.687 1.440 3.471 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.939 0.657 1.481 1.00 0.00 C ATOM 0 H LEU A 29 -4.850 4.555 3.851 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.618 4.389 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.756 2.927 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.237 2.766 1.704 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.568 2.251 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.964 0.647 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.177 2.301 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.445 1.082 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.177 -0.113 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.763 0.265 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.310 0.952 0.499 1.00 0.00 H new ATOM 161 N TYR A 30 -7.416 6.005 1.274 1.00 0.00 N ATOM 162 CA TYR A 30 -8.395 7.060 1.364 1.00 0.00 C ATOM 163 C TYR A 30 -9.761 6.490 1.194 1.00 0.00 C ATOM 164 O TYR A 30 -9.934 5.491 0.489 1.00 0.00 O ATOM 165 CB TYR A 30 -8.152 8.097 0.290 1.00 0.00 C ATOM 166 CG TYR A 30 -6.833 8.807 0.416 1.00 0.00 C ATOM 167 CD1 TYR A 30 -5.699 8.312 -0.211 1.00 0.00 C ATOM 168 CD2 TYR A 30 -6.720 9.965 1.163 1.00 0.00 C ATOM 169 CE1 TYR A 30 -4.490 8.953 -0.100 1.00 0.00 C ATOM 170 CE2 TYR A 30 -5.510 10.616 1.282 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.398 10.105 0.646 1.00 0.00 C ATOM 172 OH TYR A 30 -3.188 10.752 0.748 1.00 0.00 O ATOM 0 H TYR A 30 -7.152 5.765 0.318 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.310 7.533 2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.202 7.614 -0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.955 8.834 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.768 7.407 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.591 10.365 1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.617 8.555 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.434 11.519 1.869 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.014 11.253 -0.076 1.00 0.00 H new ATOM 182 N ASP A 31 -10.733 7.120 1.789 1.00 0.00 N ATOM 183 CA ASP A 31 -12.083 6.611 1.734 1.00 0.00 C ATOM 184 C ASP A 31 -12.696 6.839 0.370 1.00 0.00 C ATOM 185 O ASP A 31 -13.398 5.975 -0.168 1.00 0.00 O ATOM 186 CB ASP A 31 -12.956 7.224 2.814 1.00 0.00 C ATOM 187 CG ASP A 31 -14.325 6.594 2.854 1.00 0.00 C ATOM 188 OD1 ASP A 31 -15.283 7.150 2.280 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.476 5.521 3.480 1.00 0.00 O ATOM 0 H ASP A 31 -10.622 7.985 2.318 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.029 5.537 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.472 7.104 3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.054 8.295 2.637 1.00 0.00 H new ATOM 194 N GLU A 32 -12.391 7.963 -0.206 1.00 0.00 N ATOM 195 CA GLU A 32 -12.912 8.315 -1.497 1.00 0.00 C ATOM 196 C GLU A 32 -11.837 8.243 -2.531 1.00 0.00 C ATOM 197 O GLU A 32 -10.673 7.959 -2.214 1.00 0.00 O ATOM 198 CB GLU A 32 -13.509 9.696 -1.476 1.00 0.00 C ATOM 199 CG GLU A 32 -14.785 9.800 -0.696 1.00 0.00 C ATOM 200 CD GLU A 32 -15.279 11.199 -0.665 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.458 11.746 0.443 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.455 11.800 -1.751 1.00 0.00 O ATOM 0 H GLU A 32 -11.774 8.664 0.204 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.696 7.601 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.781 10.389 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.696 10.015 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.541 9.154 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.623 9.446 0.322 1.00 0.00 H new ATOM 209 N THR A 33 -12.203 8.492 -3.755 1.00 0.00 N ATOM 210 CA THR A 33 -11.297 8.480 -4.839 1.00 0.00 C ATOM 211 C THR A 33 -10.555 9.811 -4.873 1.00 0.00 C ATOM 212 O THR A 33 -10.892 10.723 -4.081 1.00 0.00 O ATOM 213 CB THR A 33 -12.100 8.251 -6.124 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.335 8.978 -6.022 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.417 6.787 -6.312 1.00 0.00 C ATOM 0 H THR A 33 -13.163 8.712 -4.021 1.00 0.00 H new ATOM 0 HA THR A 33 -10.559 7.684 -4.737 1.00 0.00 H new ATOM 0 HB THR A 33 -11.509 8.591 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.213 9.883 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.987 6.653 -7.231 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.489 6.219 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.004 6.430 -5.466 1.00 0.00 H new ATOM 223 N TYR A 34 -9.537 9.924 -5.749 1.00 0.00 N ATOM 224 CA TYR A 34 -8.727 11.156 -5.921 1.00 0.00 C ATOM 225 C TYR A 34 -8.249 11.757 -4.592 1.00 0.00 C ATOM 226 O TYR A 34 -8.152 12.983 -4.434 1.00 0.00 O ATOM 227 CB TYR A 34 -9.389 12.205 -6.899 1.00 0.00 C ATOM 228 CG TYR A 34 -10.864 12.519 -6.673 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.843 11.668 -7.159 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.277 13.641 -5.973 1.00 0.00 C ATOM 231 CE1 TYR A 34 -13.176 11.915 -6.955 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.618 13.897 -5.771 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.559 13.028 -6.263 1.00 0.00 C ATOM 234 OH TYR A 34 -14.894 13.277 -6.053 1.00 0.00 O ATOM 0 H TYR A 34 -9.249 9.162 -6.362 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.815 10.841 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.828 13.137 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.272 11.840 -7.919 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.549 10.788 -7.712 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.539 14.325 -5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.919 11.233 -7.340 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.926 14.778 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.996 14.108 -5.543 1.00 0.00 H new ATOM 244 N GLU A 35 -7.944 10.853 -3.645 1.00 0.00 N ATOM 245 CA GLU A 35 -7.418 11.174 -2.330 1.00 0.00 C ATOM 246 C GLU A 35 -8.364 12.028 -1.484 1.00 0.00 C ATOM 247 O GLU A 35 -7.920 12.917 -0.749 1.00 0.00 O ATOM 248 CB GLU A 35 -6.034 11.814 -2.422 1.00 0.00 C ATOM 249 CG GLU A 35 -4.966 10.902 -2.998 1.00 0.00 C ATOM 250 CD GLU A 35 -3.608 11.524 -2.917 1.00 0.00 C ATOM 251 OE1 GLU A 35 -3.012 11.528 -1.825 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.117 12.048 -3.930 1.00 0.00 O ATOM 0 H GLU A 35 -8.065 9.851 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.324 10.221 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.101 12.711 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.726 12.133 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.966 9.955 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.202 10.676 -4.038 1.00 0.00 H new ATOM 259 N ARG A 36 -9.654 11.762 -1.561 1.00 0.00 N ATOM 260 CA ARG A 36 -10.597 12.463 -0.702 1.00 0.00 C ATOM 261 C ARG A 36 -11.070 11.594 0.454 1.00 0.00 C ATOM 262 O ARG A 36 -10.728 10.398 0.550 1.00 0.00 O ATOM 263 CB ARG A 36 -11.806 13.012 -1.433 1.00 0.00 C ATOM 264 CG ARG A 36 -11.540 14.099 -2.435 1.00 0.00 C ATOM 265 CD ARG A 36 -12.710 15.077 -2.445 1.00 0.00 C ATOM 266 NE ARG A 36 -14.022 14.394 -2.419 1.00 0.00 N ATOM 267 CZ ARG A 36 -15.206 15.006 -2.272 1.00 0.00 C ATOM 268 NH1 ARG A 36 -15.276 16.327 -2.166 1.00 0.00 N ATOM 269 NH2 ARG A 36 -16.301 14.278 -2.158 1.00 0.00 N ATOM 0 H ARG A 36 -10.070 11.080 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.031 13.312 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.300 12.187 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.509 13.393 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.617 14.622 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.403 13.669 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.632 15.740 -1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.648 15.703 -3.335 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.026 13.379 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.424 16.887 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.182 16.782 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.241 13.260 -2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.207 14.733 -2.046 1.00 0.00 H new ATOM 283 N GLY A 37 -11.901 12.187 1.294 1.00 0.00 N ATOM 284 CA GLY A 37 -12.381 11.540 2.469 1.00 0.00 C ATOM 285 C GLY A 37 -11.334 11.581 3.533 1.00 0.00 C ATOM 286 O GLY A 37 -10.494 12.492 3.549 1.00 0.00 O ATOM 0 H GLY A 37 -12.254 13.135 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.289 12.031 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.644 10.506 2.244 1.00 0.00 H new ATOM 290 N SER A 38 -11.383 10.666 4.422 1.00 0.00 N ATOM 291 CA SER A 38 -10.347 10.530 5.390 1.00 0.00 C ATOM 292 C SER A 38 -9.452 9.397 4.930 1.00 0.00 C ATOM 293 O SER A 38 -9.764 8.727 3.934 1.00 0.00 O ATOM 294 CB SER A 38 -10.937 10.237 6.762 1.00 0.00 C ATOM 295 OG SER A 38 -11.918 11.210 7.108 1.00 0.00 O ATOM 0 H SER A 38 -12.139 9.986 4.507 1.00 0.00 H new ATOM 0 HA SER A 38 -9.774 11.453 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.386 9.244 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.144 10.231 7.510 1.00 0.00 H new ATOM 0 HG SER A 38 -12.286 11.003 7.992 1.00 0.00 H new ATOM 301 N TYR A 39 -8.380 9.172 5.613 1.00 0.00 N ATOM 302 CA TYR A 39 -7.471 8.132 5.239 1.00 0.00 C ATOM 303 C TYR A 39 -7.045 7.398 6.480 1.00 0.00 C ATOM 304 O TYR A 39 -7.283 7.866 7.596 1.00 0.00 O ATOM 305 CB TYR A 39 -6.241 8.711 4.506 1.00 0.00 C ATOM 306 CG TYR A 39 -5.331 9.535 5.383 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.095 9.048 5.764 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.716 10.783 5.847 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.271 9.770 6.581 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.899 11.515 6.664 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.674 11.004 7.029 1.00 0.00 C ATOM 312 OH TYR A 39 -2.853 11.726 7.848 1.00 0.00 O ATOM 0 H TYR A 39 -8.107 9.699 6.443 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.968 7.446 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.668 7.889 4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.584 9.328 3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.775 8.079 5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.677 11.184 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.310 9.373 6.872 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.212 12.485 7.020 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.365 12.391 7.318 1.00 0.00 H new ATOM 322 N ILE A 40 -6.464 6.273 6.300 1.00 0.00 N ATOM 323 CA ILE A 40 -5.960 5.499 7.394 1.00 0.00 C ATOM 324 C ILE A 40 -4.449 5.409 7.238 1.00 0.00 C ATOM 325 O ILE A 40 -3.935 5.504 6.108 1.00 0.00 O ATOM 326 CB ILE A 40 -6.585 4.068 7.385 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.209 3.286 8.658 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.138 3.314 6.135 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.864 1.926 8.775 1.00 0.00 C ATOM 0 H ILE A 40 -6.318 5.849 5.384 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.221 5.971 8.341 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.670 4.167 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.127 3.158 8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.480 3.882 9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.578 2.317 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.466 3.855 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.051 3.231 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.544 1.446 9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.948 2.044 8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.573 1.308 7.926 1.00 0.00 H new ATOM 341 N GLU A 41 -3.748 5.258 8.318 1.00 0.00 N ATOM 342 CA GLU A 41 -2.341 5.069 8.254 1.00 0.00 C ATOM 343 C GLU A 41 -2.055 3.627 8.577 1.00 0.00 C ATOM 344 O GLU A 41 -2.483 3.109 9.616 1.00 0.00 O ATOM 345 CB GLU A 41 -1.634 5.976 9.260 1.00 0.00 C ATOM 346 CG GLU A 41 -1.716 7.456 8.935 1.00 0.00 C ATOM 347 CD GLU A 41 -1.222 8.321 10.064 1.00 0.00 C ATOM 348 OE1 GLU A 41 -2.043 8.803 10.868 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.005 8.520 10.204 1.00 0.00 O ATOM 0 H GLU A 41 -4.136 5.263 9.261 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.975 5.320 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.065 5.809 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.585 5.687 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.129 7.662 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.749 7.718 8.706 1.00 0.00 H new ATOM 356 N VAL A 42 -1.363 2.984 7.693 1.00 0.00 N ATOM 357 CA VAL A 42 -0.974 1.620 7.867 1.00 0.00 C ATOM 358 C VAL A 42 0.515 1.564 7.820 1.00 0.00 C ATOM 359 O VAL A 42 1.135 2.193 6.962 1.00 0.00 O ATOM 360 CB VAL A 42 -1.553 0.712 6.759 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.099 -0.731 6.933 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.069 0.801 6.714 1.00 0.00 C ATOM 0 H VAL A 42 -1.047 3.397 6.816 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.359 1.259 8.821 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.166 1.071 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.523 -1.344 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.011 -0.778 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.437 -1.105 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.448 0.152 5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.481 0.486 7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.367 1.830 6.512 1.00 0.00 H new ATOM 372 N TYR A 43 1.082 0.861 8.739 1.00 0.00 N ATOM 373 CA TYR A 43 2.503 0.739 8.819 1.00 0.00 C ATOM 374 C TYR A 43 2.890 -0.731 8.729 1.00 0.00 C ATOM 375 O TYR A 43 3.986 -1.076 8.277 1.00 0.00 O ATOM 376 CB TYR A 43 2.981 1.292 10.162 1.00 0.00 C ATOM 377 CG TYR A 43 2.406 2.646 10.536 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.926 3.821 10.020 1.00 0.00 C ATOM 379 CD2 TYR A 43 1.342 2.738 11.427 1.00 0.00 C ATOM 380 CE1 TYR A 43 2.406 5.050 10.387 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.816 3.960 11.790 1.00 0.00 C ATOM 382 CZ TYR A 43 1.354 5.113 11.268 1.00 0.00 C ATOM 383 OH TYR A 43 0.849 6.344 11.653 1.00 0.00 O ATOM 0 H TYR A 43 0.574 0.351 9.461 1.00 0.00 H new ATOM 0 HA TYR A 43 2.962 1.294 8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.727 0.577 10.944 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.068 1.368 10.141 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.749 3.778 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.920 1.835 11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.827 5.958 9.981 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.013 4.011 12.480 1.00 0.00 H new ATOM 0 HH TYR A 43 0.723 6.908 10.862 1.00 0.00 H new ATOM 393 N LYS A 44 1.981 -1.588 9.163 1.00 0.00 N ATOM 394 CA LYS A 44 2.230 -3.011 9.283 1.00 0.00 C ATOM 395 C LYS A 44 1.452 -3.777 8.242 1.00 0.00 C ATOM 396 O LYS A 44 0.514 -3.264 7.655 1.00 0.00 O ATOM 397 CB LYS A 44 1.788 -3.516 10.666 1.00 0.00 C ATOM 398 CG LYS A 44 2.337 -2.777 11.898 1.00 0.00 C ATOM 399 CD LYS A 44 3.845 -2.942 12.133 1.00 0.00 C ATOM 400 CE LYS A 44 4.691 -2.063 11.232 1.00 0.00 C ATOM 401 NZ LYS A 44 6.112 -2.133 11.578 1.00 0.00 N ATOM 0 H LYS A 44 1.041 -1.311 9.444 1.00 0.00 H new ATOM 0 HA LYS A 44 3.299 -3.170 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.699 -3.476 10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.072 -4.565 10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.114 -1.715 11.795 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.806 -3.130 12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.071 -2.709 13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.119 -3.985 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.555 -2.369 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.349 -1.031 11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.656 -1.518 10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.246 -1.817 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.445 -3.114 11.481 1.00 0.00 H new ATOM 415 N SER A 45 1.851 -4.985 8.025 1.00 0.00 N ATOM 416 CA SER A 45 1.151 -5.862 7.127 1.00 0.00 C ATOM 417 C SER A 45 -0.025 -6.487 7.895 1.00 0.00 C ATOM 418 O SER A 45 0.102 -6.799 9.083 1.00 0.00 O ATOM 419 CB SER A 45 2.107 -6.964 6.644 1.00 0.00 C ATOM 420 OG SER A 45 3.317 -6.420 6.107 1.00 0.00 O ATOM 0 H SER A 45 2.673 -5.400 8.463 1.00 0.00 H new ATOM 0 HA SER A 45 0.783 -5.313 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.345 -7.629 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.611 -7.568 5.884 1.00 0.00 H new ATOM 0 HG SER A 45 4.081 -6.749 6.624 1.00 0.00 H new ATOM 426 N VAL A 46 -1.143 -6.652 7.249 1.00 0.00 N ATOM 427 CA VAL A 46 -2.289 -7.232 7.883 1.00 0.00 C ATOM 428 C VAL A 46 -2.694 -8.484 7.119 1.00 0.00 C ATOM 429 O VAL A 46 -2.819 -8.462 5.890 1.00 0.00 O ATOM 430 CB VAL A 46 -3.485 -6.232 7.988 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.030 -5.845 6.632 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.574 -6.792 8.882 1.00 0.00 C ATOM 0 H VAL A 46 -1.285 -6.390 6.274 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.019 -7.491 8.907 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.105 -5.317 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.859 -5.149 6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.243 -5.370 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.381 -6.737 6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.397 -6.080 8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.937 -7.733 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.172 -6.966 9.880 1.00 0.00 H new ATOM 442 N GLY A 47 -2.890 -9.560 7.819 1.00 0.00 N ATOM 443 CA GLY A 47 -3.207 -10.788 7.158 1.00 0.00 C ATOM 444 C GLY A 47 -4.680 -10.992 6.959 1.00 0.00 C ATOM 445 O GLY A 47 -5.089 -11.802 6.125 1.00 0.00 O ATOM 0 H GLY A 47 -2.837 -9.613 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.710 -10.809 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.807 -11.619 7.739 1.00 0.00 H new ATOM 449 N SER A 48 -5.483 -10.268 7.689 1.00 0.00 N ATOM 450 CA SER A 48 -6.900 -10.414 7.584 1.00 0.00 C ATOM 451 C SER A 48 -7.639 -9.177 8.036 1.00 0.00 C ATOM 452 O SER A 48 -7.342 -8.609 9.086 1.00 0.00 O ATOM 453 CB SER A 48 -7.361 -11.652 8.355 1.00 0.00 C ATOM 454 OG SER A 48 -6.829 -11.682 9.679 1.00 0.00 O ATOM 0 H SER A 48 -5.174 -9.569 8.365 1.00 0.00 H new ATOM 0 HA SER A 48 -7.142 -10.549 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.450 -11.667 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.052 -12.550 7.819 1.00 0.00 H new ATOM 0 HG SER A 48 -7.147 -12.486 10.141 1.00 0.00 H new ATOM 460 N LEU A 49 -8.550 -8.748 7.215 1.00 0.00 N ATOM 461 CA LEU A 49 -9.412 -7.646 7.505 1.00 0.00 C ATOM 462 C LEU A 49 -10.825 -8.134 7.366 1.00 0.00 C ATOM 463 O LEU A 49 -11.210 -8.633 6.309 1.00 0.00 O ATOM 464 CB LEU A 49 -9.148 -6.546 6.474 1.00 0.00 C ATOM 465 CG LEU A 49 -7.754 -5.931 6.523 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.519 -5.048 5.324 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.583 -5.133 7.799 1.00 0.00 C ATOM 0 H LEU A 49 -8.717 -9.168 6.300 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.241 -7.255 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.311 -6.957 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.883 -5.753 6.616 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.020 -6.737 6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.518 -4.619 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.611 -5.639 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.257 -4.246 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.584 -4.698 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.327 -4.337 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.715 -5.789 8.659 1.00 0.00 H new ATOM 479 N SER A 50 -11.561 -8.105 8.429 1.00 0.00 N ATOM 480 CA SER A 50 -12.946 -8.447 8.385 1.00 0.00 C ATOM 481 C SER A 50 -13.789 -7.416 9.142 1.00 0.00 C ATOM 482 O SER A 50 -13.656 -7.274 10.357 1.00 0.00 O ATOM 483 CB SER A 50 -13.166 -9.862 8.871 1.00 0.00 C ATOM 484 OG SER A 50 -12.385 -10.770 8.085 1.00 0.00 O ATOM 0 H SER A 50 -11.219 -7.843 9.354 1.00 0.00 H new ATOM 0 HA SER A 50 -13.282 -8.419 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.887 -9.943 9.922 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.222 -10.121 8.800 1.00 0.00 H new ATOM 0 HG SER A 50 -12.529 -11.686 8.404 1.00 0.00 H new ATOM 490 N PRO A 51 -14.637 -6.660 8.440 1.00 0.00 N ATOM 491 CA PRO A 51 -14.792 -6.767 6.997 1.00 0.00 C ATOM 492 C PRO A 51 -13.607 -6.128 6.259 1.00 0.00 C ATOM 493 O PRO A 51 -12.828 -5.372 6.862 1.00 0.00 O ATOM 494 CB PRO A 51 -16.076 -5.968 6.705 1.00 0.00 C ATOM 495 CG PRO A 51 -16.661 -5.649 8.039 1.00 0.00 C ATOM 496 CD PRO A 51 -15.514 -5.636 8.996 1.00 0.00 C ATOM 0 HA PRO A 51 -14.838 -7.805 6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.854 -5.059 6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.772 -6.551 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.167 -4.684 8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.403 -6.393 8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -15.028 -4.661 9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.828 -5.877 10.012 1.00 0.00 H new ATOM 504 N PRO A 52 -13.424 -6.459 4.979 1.00 0.00 N ATOM 505 CA PRO A 52 -12.365 -5.871 4.152 1.00 0.00 C ATOM 506 C PRO A 52 -12.506 -4.348 4.053 1.00 0.00 C ATOM 507 O PRO A 52 -13.591 -3.784 4.286 1.00 0.00 O ATOM 508 CB PRO A 52 -12.563 -6.524 2.772 1.00 0.00 C ATOM 509 CG PRO A 52 -13.947 -7.067 2.794 1.00 0.00 C ATOM 510 CD PRO A 52 -14.221 -7.439 4.219 1.00 0.00 C ATOM 0 HA PRO A 52 -11.374 -6.048 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.438 -5.796 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.832 -7.315 2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.663 -6.325 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.036 -7.934 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.282 -7.367 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.914 -8.462 4.435 1.00 0.00 H new ATOM 518 N TRP A 53 -11.436 -3.690 3.717 1.00 0.00 N ATOM 519 CA TRP A 53 -11.443 -2.250 3.613 1.00 0.00 C ATOM 520 C TRP A 53 -11.834 -1.866 2.233 1.00 0.00 C ATOM 521 O TRP A 53 -11.395 -2.494 1.280 1.00 0.00 O ATOM 522 CB TRP A 53 -10.059 -1.663 3.900 1.00 0.00 C ATOM 523 CG TRP A 53 -9.630 -1.737 5.334 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.430 -1.903 6.421 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.293 -1.622 5.839 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.679 -1.897 7.563 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.368 -1.725 7.236 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.041 -1.442 5.248 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.244 -1.658 8.051 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.925 -1.381 6.063 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.036 -1.487 7.447 1.00 0.00 C ATOM 0 H TRP A 53 -10.538 -4.126 3.508 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.150 -1.861 4.346 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.324 -2.186 3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.050 -0.619 3.586 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.503 -2.022 6.387 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.043 -2.004 8.510 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.946 -1.352 4.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.326 -1.739 9.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.950 -1.249 5.618 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.145 -1.432 8.054 1.00 0.00 H new ATOM 542 N THR A 54 -12.646 -0.858 2.117 1.00 0.00 N ATOM 543 CA THR A 54 -13.079 -0.393 0.834 1.00 0.00 C ATOM 544 C THR A 54 -12.595 1.042 0.584 1.00 0.00 C ATOM 545 O THR A 54 -13.336 2.005 0.830 1.00 0.00 O ATOM 546 CB THR A 54 -14.617 -0.477 0.708 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.228 0.121 1.869 1.00 0.00 O ATOM 548 CG2 THR A 54 -15.073 -1.922 0.580 1.00 0.00 C ATOM 0 H THR A 54 -13.026 -0.336 2.907 1.00 0.00 H new ATOM 0 HA THR A 54 -12.639 -1.040 0.075 1.00 0.00 H new ATOM 0 HB THR A 54 -14.921 0.061 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.860 1.019 2.006 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.159 -1.954 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.624 -2.368 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.763 -2.481 1.463 1.00 0.00 H new ATOM 556 N PRO A 55 -11.319 1.220 0.215 1.00 0.00 N ATOM 557 CA PRO A 55 -10.786 2.525 -0.087 1.00 0.00 C ATOM 558 C PRO A 55 -11.154 2.998 -1.490 1.00 0.00 C ATOM 559 O PRO A 55 -11.386 2.198 -2.406 1.00 0.00 O ATOM 560 CB PRO A 55 -9.284 2.314 0.020 1.00 0.00 C ATOM 561 CG PRO A 55 -9.091 0.917 -0.413 1.00 0.00 C ATOM 562 CD PRO A 55 -10.277 0.176 0.114 1.00 0.00 C ATOM 0 HA PRO A 55 -11.179 3.291 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.736 3.009 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.930 2.469 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.033 0.846 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.162 0.507 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.578 -0.628 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.069 -0.278 1.083 1.00 0.00 H new ATOM 570 N GLY A 56 -11.205 4.285 -1.651 1.00 0.00 N ATOM 571 CA GLY A 56 -11.487 4.850 -2.928 1.00 0.00 C ATOM 572 C GLY A 56 -10.209 5.112 -3.676 1.00 0.00 C ATOM 573 O GLY A 56 -10.177 5.094 -4.895 1.00 0.00 O ATOM 0 H GLY A 56 -11.053 4.965 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.120 4.172 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.043 5.780 -2.807 1.00 0.00 H new ATOM 577 N SER A 57 -9.149 5.328 -2.943 1.00 0.00 N ATOM 578 CA SER A 57 -7.862 5.575 -3.514 1.00 0.00 C ATOM 579 C SER A 57 -6.798 5.179 -2.510 1.00 0.00 C ATOM 580 O SER A 57 -7.055 5.172 -1.309 1.00 0.00 O ATOM 581 CB SER A 57 -7.735 7.047 -3.973 1.00 0.00 C ATOM 582 OG SER A 57 -8.102 7.960 -2.959 1.00 0.00 O ATOM 0 H SER A 57 -9.160 5.336 -1.923 1.00 0.00 H new ATOM 0 HA SER A 57 -7.726 4.969 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.707 7.242 -4.279 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.364 7.208 -4.848 1.00 0.00 H new ATOM 0 HG SER A 57 -9.056 7.861 -2.759 1.00 0.00 H new ATOM 588 N VAL A 58 -5.647 4.792 -2.987 1.00 0.00 N ATOM 589 CA VAL A 58 -4.565 4.353 -2.125 1.00 0.00 C ATOM 590 C VAL A 58 -3.316 5.065 -2.578 1.00 0.00 C ATOM 591 O VAL A 58 -3.143 5.258 -3.774 1.00 0.00 O ATOM 592 CB VAL A 58 -4.314 2.816 -2.277 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.260 2.334 -1.309 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.592 2.006 -2.121 1.00 0.00 C ATOM 0 H VAL A 58 -5.425 4.769 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.820 4.570 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.949 2.658 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.109 1.262 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.324 2.859 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.586 2.533 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.367 0.946 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.017 2.183 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.310 2.308 -2.884 1.00 0.00 H new ATOM 604 N CYS A 59 -2.458 5.460 -1.673 1.00 0.00 N ATOM 605 CA CYS A 59 -1.230 6.084 -2.084 1.00 0.00 C ATOM 606 C CYS A 59 -0.085 5.730 -1.156 1.00 0.00 C ATOM 607 O CYS A 59 -0.281 5.518 0.060 1.00 0.00 O ATOM 608 CB CYS A 59 -1.365 7.603 -2.207 1.00 0.00 C ATOM 609 SG CYS A 59 0.107 8.382 -2.966 1.00 0.00 S ATOM 0 H CYS A 59 -2.584 5.363 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.003 5.690 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.245 7.838 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.528 8.031 -1.218 1.00 0.00 H new ATOM 614 N VAL A 60 1.092 5.639 -1.735 1.00 0.00 N ATOM 615 CA VAL A 60 2.308 5.385 -1.017 1.00 0.00 C ATOM 616 C VAL A 60 3.174 6.638 -1.130 1.00 0.00 C ATOM 617 O VAL A 60 3.438 7.109 -2.245 1.00 0.00 O ATOM 618 CB VAL A 60 3.072 4.171 -1.610 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.361 3.897 -0.840 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.186 2.938 -1.619 1.00 0.00 C ATOM 0 H VAL A 60 1.226 5.743 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 60 2.078 5.151 0.022 1.00 0.00 H new ATOM 0 HB VAL A 60 3.342 4.415 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.873 3.041 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.008 4.772 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.124 3.682 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.738 2.097 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.882 2.701 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.301 3.130 -2.226 1.00 0.00 H new ATOM 630 N PRO A 61 3.601 7.206 0.006 1.00 0.00 N ATOM 631 CA PRO A 61 4.401 8.436 0.036 1.00 0.00 C ATOM 632 C PRO A 61 5.723 8.295 -0.718 1.00 0.00 C ATOM 633 O PRO A 61 6.340 7.215 -0.737 1.00 0.00 O ATOM 634 CB PRO A 61 4.661 8.667 1.532 1.00 0.00 C ATOM 635 CG PRO A 61 4.414 7.346 2.168 1.00 0.00 C ATOM 636 CD PRO A 61 3.352 6.692 1.350 1.00 0.00 C ATOM 0 HA PRO A 61 3.883 9.262 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.682 9.006 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.997 9.431 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.322 6.744 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.093 7.464 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.428 5.605 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.354 6.953 1.702 1.00 0.00 H new ATOM 644 N PHE A 62 6.141 9.368 -1.335 1.00 0.00 N ATOM 645 CA PHE A 62 7.353 9.390 -2.088 1.00 0.00 C ATOM 646 C PHE A 62 8.543 9.398 -1.159 1.00 0.00 C ATOM 647 O PHE A 62 8.745 10.334 -0.382 1.00 0.00 O ATOM 648 CB PHE A 62 7.392 10.600 -3.028 1.00 0.00 C ATOM 649 CG PHE A 62 8.652 10.694 -3.844 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.906 9.784 -4.853 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.578 11.696 -3.604 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.052 9.869 -5.608 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.730 11.787 -4.357 1.00 0.00 C ATOM 654 CZ PHE A 62 10.968 10.872 -5.361 1.00 0.00 C ATOM 0 H PHE A 62 5.640 10.257 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 62 7.394 8.489 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.536 10.553 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.283 11.510 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.195 8.996 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.396 12.414 -2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.236 9.151 -6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.444 12.573 -4.161 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.869 10.940 -5.953 1.00 0.00 H new ATOM 664 N VAL A 63 9.298 8.348 -1.209 1.00 0.00 N ATOM 665 CA VAL A 63 10.481 8.242 -0.420 1.00 0.00 C ATOM 666 C VAL A 63 11.669 8.671 -1.256 1.00 0.00 C ATOM 667 O VAL A 63 11.965 8.070 -2.275 1.00 0.00 O ATOM 668 CB VAL A 63 10.662 6.801 0.145 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.953 6.664 0.922 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.476 6.442 1.027 1.00 0.00 C ATOM 0 H VAL A 63 9.110 7.538 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 63 10.399 8.902 0.444 1.00 0.00 H new ATOM 0 HB VAL A 63 10.711 6.111 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.044 5.646 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.797 6.885 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.950 7.363 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.607 5.434 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.411 7.148 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.559 6.486 0.439 1.00 0.00 H new ATOM 680 N ASN A 64 12.291 9.742 -0.840 1.00 0.00 N ATOM 681 CA ASN A 64 13.452 10.323 -1.525 1.00 0.00 C ATOM 682 C ASN A 64 14.682 10.108 -0.665 1.00 0.00 C ATOM 683 O ASN A 64 15.769 10.629 -0.924 1.00 0.00 O ATOM 684 CB ASN A 64 13.220 11.833 -1.759 1.00 0.00 C ATOM 685 CG ASN A 64 13.077 12.662 -0.476 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.627 12.171 0.571 1.00 0.00 O ATOM 687 ND2 ASN A 64 13.430 13.917 -0.552 1.00 0.00 N ATOM 0 H ASN A 64 12.013 10.256 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 64 13.594 9.841 -2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.052 12.229 -2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.320 11.960 -2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.339 14.523 0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.797 14.292 -1.427 1.00 0.00 H new ATOM 694 N ASP A 65 14.464 9.339 0.354 1.00 0.00 N ATOM 695 CA ASP A 65 15.429 8.982 1.361 1.00 0.00 C ATOM 696 C ASP A 65 16.575 8.186 0.785 1.00 0.00 C ATOM 697 O ASP A 65 16.398 7.389 -0.139 1.00 0.00 O ATOM 698 CB ASP A 65 14.760 8.181 2.474 1.00 0.00 C ATOM 699 CG ASP A 65 13.684 8.949 3.203 1.00 0.00 C ATOM 700 OD1 ASP A 65 13.803 9.139 4.436 1.00 0.00 O ATOM 701 OD2 ASP A 65 12.700 9.386 2.559 1.00 0.00 O ATOM 0 H ASP A 65 13.552 8.914 0.521 1.00 0.00 H new ATOM 0 HA ASP A 65 15.832 9.910 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.325 7.276 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.519 7.865 3.190 1.00 0.00 H new ATOM 706 N THR A 66 17.742 8.418 1.336 1.00 0.00 N ATOM 707 CA THR A 66 18.986 7.757 0.967 1.00 0.00 C ATOM 708 C THR A 66 18.952 6.242 1.363 1.00 0.00 C ATOM 709 O THR A 66 19.870 5.468 1.040 1.00 0.00 O ATOM 710 CB THR A 66 20.125 8.480 1.712 1.00 0.00 C ATOM 711 OG1 THR A 66 19.951 9.904 1.526 1.00 0.00 O ATOM 712 CG2 THR A 66 21.482 8.091 1.162 1.00 0.00 C ATOM 0 H THR A 66 17.864 9.099 2.085 1.00 0.00 H new ATOM 0 HA THR A 66 19.135 7.805 -0.112 1.00 0.00 H new ATOM 0 HB THR A 66 20.086 8.201 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.665 10.385 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.262 8.619 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.625 7.016 1.273 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.537 8.357 0.106 1.00 0.00 H new ATOM 720 N LYS A 67 17.892 5.867 2.080 1.00 0.00 N ATOM 721 CA LYS A 67 17.633 4.509 2.535 1.00 0.00 C ATOM 722 C LYS A 67 17.715 3.538 1.370 1.00 0.00 C ATOM 723 O LYS A 67 17.135 3.780 0.299 1.00 0.00 O ATOM 724 CB LYS A 67 16.250 4.455 3.162 1.00 0.00 C ATOM 725 CG LYS A 67 16.084 5.357 4.379 1.00 0.00 C ATOM 726 CD LYS A 67 16.869 4.858 5.578 1.00 0.00 C ATOM 727 CE LYS A 67 16.674 5.779 6.770 1.00 0.00 C ATOM 728 NZ LYS A 67 17.261 5.228 8.003 1.00 0.00 N ATOM 0 H LYS A 67 17.168 6.526 2.367 1.00 0.00 H new ATOM 0 HA LYS A 67 18.383 4.223 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.511 4.736 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.034 3.427 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.411 6.366 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.028 5.420 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.547 3.849 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.928 4.800 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.126 6.747 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.609 5.951 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.103 5.891 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.812 4.316 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.283 5.087 7.868 1.00 0.00 H new ATOM 742 N ARG A 68 18.412 2.446 1.581 1.00 0.00 N ATOM 743 CA ARG A 68 18.706 1.505 0.525 1.00 0.00 C ATOM 744 C ARG A 68 17.453 0.728 0.072 1.00 0.00 C ATOM 745 O ARG A 68 17.374 0.264 -1.076 1.00 0.00 O ATOM 746 CB ARG A 68 19.840 0.568 0.959 1.00 0.00 C ATOM 747 CG ARG A 68 20.466 -0.222 -0.179 1.00 0.00 C ATOM 748 CD ARG A 68 21.035 0.696 -1.252 1.00 0.00 C ATOM 749 NE ARG A 68 22.055 1.616 -0.729 1.00 0.00 N ATOM 750 CZ ARG A 68 22.103 2.938 -0.976 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.091 3.548 -1.587 1.00 0.00 N ATOM 752 NH2 ARG A 68 23.136 3.652 -0.561 1.00 0.00 N ATOM 0 H ARG A 68 18.792 2.184 2.491 1.00 0.00 H new ATOM 0 HA ARG A 68 19.041 2.066 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 68 20.616 1.157 1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.455 -0.130 1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.259 -0.860 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 68 19.717 -0.879 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.470 0.092 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.225 1.273 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 68 22.783 1.222 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.270 3.013 -1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.136 4.550 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.897 3.201 -0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.172 4.654 -0.749 1.00 0.00 H new ATOM 766 N GLU A 69 16.500 0.586 0.964 1.00 0.00 N ATOM 767 CA GLU A 69 15.233 -0.062 0.664 1.00 0.00 C ATOM 768 C GLU A 69 14.097 0.966 0.682 1.00 0.00 C ATOM 769 O GLU A 69 14.015 1.789 1.602 1.00 0.00 O ATOM 770 CB GLU A 69 14.873 -1.149 1.701 1.00 0.00 C ATOM 771 CG GLU A 69 15.756 -2.393 1.745 1.00 0.00 C ATOM 772 CD GLU A 69 17.162 -2.136 2.192 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.354 -1.483 3.243 1.00 0.00 O ATOM 774 OE2 GLU A 69 18.093 -2.637 1.538 1.00 0.00 O ATOM 0 H GLU A 69 16.577 0.917 1.926 1.00 0.00 H new ATOM 0 HA GLU A 69 15.347 -0.518 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.887 -0.690 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.848 -1.469 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.302 -3.123 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.779 -2.843 0.752 1.00 0.00 H new ATOM 781 N ARG A 70 13.239 0.934 -0.300 1.00 0.00 N ATOM 782 CA ARG A 70 12.029 1.734 -0.261 1.00 0.00 C ATOM 783 C ARG A 70 10.860 0.858 0.089 1.00 0.00 C ATOM 784 O ARG A 70 10.899 -0.339 -0.147 1.00 0.00 O ATOM 785 CB ARG A 70 11.722 2.508 -1.554 1.00 0.00 C ATOM 786 CG ARG A 70 12.412 3.853 -1.670 1.00 0.00 C ATOM 787 CD ARG A 70 13.846 3.689 -1.981 1.00 0.00 C ATOM 788 NE ARG A 70 13.989 3.026 -3.283 1.00 0.00 N ATOM 789 CZ ARG A 70 14.790 2.007 -3.541 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.751 1.701 -2.696 1.00 0.00 N ATOM 791 NH2 ARG A 70 14.666 1.347 -4.679 1.00 0.00 N ATOM 0 H ARG A 70 13.348 0.366 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 70 12.202 2.493 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.011 1.893 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.645 2.661 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.933 4.445 -2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.300 4.405 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.339 4.661 -1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.333 3.099 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 70 13.423 3.382 -4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.876 2.250 -1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.371 0.915 -2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.954 1.625 -5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.282 0.560 -4.882 1.00 0.00 H new ATOM 805 N PRO A 71 9.825 1.420 0.674 1.00 0.00 N ATOM 806 CA PRO A 71 8.647 0.662 1.041 1.00 0.00 C ATOM 807 C PRO A 71 7.738 0.413 -0.177 1.00 0.00 C ATOM 808 O PRO A 71 7.492 1.314 -0.984 1.00 0.00 O ATOM 809 CB PRO A 71 7.976 1.568 2.074 1.00 0.00 C ATOM 810 CG PRO A 71 8.341 2.953 1.655 1.00 0.00 C ATOM 811 CD PRO A 71 9.704 2.850 1.018 1.00 0.00 C ATOM 0 HA PRO A 71 8.872 -0.333 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.895 1.428 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.332 1.352 3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.611 3.353 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.361 3.627 2.511 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.781 3.482 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.491 3.164 1.704 1.00 0.00 H new ATOM 819 N TYR A 72 7.269 -0.801 -0.305 1.00 0.00 N ATOM 820 CA TYR A 72 6.418 -1.184 -1.399 1.00 0.00 C ATOM 821 C TYR A 72 5.212 -1.890 -0.795 1.00 0.00 C ATOM 822 O TYR A 72 5.362 -2.705 0.114 1.00 0.00 O ATOM 823 CB TYR A 72 7.183 -2.126 -2.339 1.00 0.00 C ATOM 824 CG TYR A 72 6.616 -2.203 -3.734 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.499 -2.970 -4.027 1.00 0.00 C ATOM 826 CD2 TYR A 72 7.209 -1.495 -4.764 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.990 -3.024 -5.306 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.709 -1.543 -6.044 1.00 0.00 C ATOM 829 CZ TYR A 72 5.599 -2.306 -6.312 1.00 0.00 C ATOM 830 OH TYR A 72 5.104 -2.359 -7.602 1.00 0.00 O ATOM 0 H TYR A 72 7.469 -1.556 0.352 1.00 0.00 H new ATOM 0 HA TYR A 72 6.100 -0.319 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.221 -1.798 -2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.190 -3.126 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.020 -3.534 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.082 -0.893 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.119 -3.626 -5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.187 -0.983 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 72 5.651 -1.793 -8.186 1.00 0.00 H new ATOM 840 N TRP A 73 4.045 -1.592 -1.260 1.00 0.00 N ATOM 841 CA TRP A 73 2.869 -2.122 -0.642 1.00 0.00 C ATOM 842 C TRP A 73 2.057 -2.976 -1.593 1.00 0.00 C ATOM 843 O TRP A 73 1.834 -2.608 -2.751 1.00 0.00 O ATOM 844 CB TRP A 73 2.039 -0.981 -0.066 1.00 0.00 C ATOM 845 CG TRP A 73 2.734 -0.238 1.047 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.619 0.795 0.934 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.581 -0.478 2.437 1.00 0.00 C ATOM 848 NE1 TRP A 73 4.014 1.213 2.179 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.387 0.449 3.121 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.829 -1.384 3.168 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.456 0.491 4.510 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.888 -1.345 4.539 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.694 -0.412 5.202 1.00 0.00 C ATOM 0 H TRP A 73 3.877 -0.986 -2.063 1.00 0.00 H new ATOM 0 HA TRP A 73 3.177 -2.782 0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.795 -0.280 -0.864 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.096 -1.380 0.307 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.958 1.221 0.001 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.669 1.971 2.370 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.206 -2.110 2.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.084 1.206 5.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.303 -2.046 5.116 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.715 -0.404 6.282 1.00 0.00 H new ATOM 864 N TYR A 74 1.655 -4.119 -1.109 1.00 0.00 N ATOM 865 CA TYR A 74 0.825 -5.036 -1.841 1.00 0.00 C ATOM 866 C TYR A 74 -0.520 -5.173 -1.166 1.00 0.00 C ATOM 867 O TYR A 74 -0.603 -5.260 0.060 1.00 0.00 O ATOM 868 CB TYR A 74 1.505 -6.400 -2.009 1.00 0.00 C ATOM 869 CG TYR A 74 2.504 -6.442 -3.149 1.00 0.00 C ATOM 870 CD1 TYR A 74 2.063 -6.523 -4.462 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.870 -6.398 -2.926 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.941 -6.554 -5.516 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.762 -6.432 -3.984 1.00 0.00 C ATOM 874 CZ TYR A 74 4.285 -6.507 -5.278 1.00 0.00 C ATOM 875 OH TYR A 74 5.163 -6.521 -6.344 1.00 0.00 O ATOM 0 H TYR A 74 1.901 -4.446 -0.175 1.00 0.00 H new ATOM 0 HA TYR A 74 0.670 -4.632 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.014 -6.660 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.741 -7.159 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.002 -6.563 -4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.244 -6.336 -1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.571 -6.615 -6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.825 -6.400 -3.799 1.00 0.00 H new ATOM 0 HH TYR A 74 6.084 -6.481 -6.010 1.00 0.00 H new ATOM 885 N LEU A 75 -1.558 -5.238 -1.959 1.00 0.00 N ATOM 886 CA LEU A 75 -2.919 -5.271 -1.463 1.00 0.00 C ATOM 887 C LEU A 75 -3.575 -6.491 -2.052 1.00 0.00 C ATOM 888 O LEU A 75 -3.285 -6.850 -3.202 1.00 0.00 O ATOM 889 CB LEU A 75 -3.680 -4.029 -1.973 1.00 0.00 C ATOM 890 CG LEU A 75 -2.947 -2.677 -1.884 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.788 -1.563 -2.474 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.573 -2.344 -0.458 1.00 0.00 C ATOM 0 H LEU A 75 -1.487 -5.270 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.930 -5.288 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.950 -4.201 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.611 -3.948 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.030 -2.768 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.247 -0.620 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.995 -1.779 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.728 -1.487 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.058 -1.384 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.475 -2.288 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.916 -3.119 -0.064 1.00 0.00 H new ATOM 904 N PHE A 76 -4.414 -7.144 -1.275 1.00 0.00 N ATOM 905 CA PHE A 76 -5.047 -8.383 -1.689 1.00 0.00 C ATOM 906 C PHE A 76 -6.530 -8.346 -1.385 1.00 0.00 C ATOM 907 O PHE A 76 -6.943 -7.824 -0.340 1.00 0.00 O ATOM 908 CB PHE A 76 -4.407 -9.571 -0.953 1.00 0.00 C ATOM 909 CG PHE A 76 -2.926 -9.684 -1.162 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.420 -10.437 -2.193 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.041 -9.013 -0.330 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.069 -10.523 -2.399 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.687 -9.100 -0.534 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.202 -9.854 -1.572 1.00 0.00 C ATOM 0 H PHE A 76 -4.677 -6.833 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.906 -8.500 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.608 -9.477 0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.883 -10.493 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.095 -10.967 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.422 -8.417 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.685 -11.119 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.006 -8.577 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.863 -9.921 -1.739 1.00 0.00 H new ATOM 924 N ASP A 77 -7.331 -8.908 -2.273 1.00 0.00 N ATOM 925 CA ASP A 77 -8.796 -8.929 -2.091 1.00 0.00 C ATOM 926 C ASP A 77 -9.218 -10.097 -1.246 1.00 0.00 C ATOM 927 O ASP A 77 -10.405 -10.264 -0.946 1.00 0.00 O ATOM 928 CB ASP A 77 -9.566 -8.953 -3.427 1.00 0.00 C ATOM 929 CG ASP A 77 -9.741 -10.332 -4.039 1.00 0.00 C ATOM 930 OD1 ASP A 77 -10.897 -10.777 -4.199 1.00 0.00 O ATOM 931 OD2 ASP A 77 -8.757 -10.978 -4.384 1.00 0.00 O ATOM 0 H ASP A 77 -7.006 -9.358 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.049 -7.999 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.551 -8.513 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.044 -8.318 -4.142 1.00 0.00 H new ATOM 936 N ASN A 78 -8.274 -10.884 -0.817 1.00 0.00 N ATOM 937 CA ASN A 78 -8.581 -11.969 0.032 1.00 0.00 C ATOM 938 C ASN A 78 -7.555 -12.047 1.126 1.00 0.00 C ATOM 939 O ASN A 78 -6.473 -11.479 1.000 1.00 0.00 O ATOM 940 CB ASN A 78 -8.713 -13.269 -0.718 1.00 0.00 C ATOM 941 CG ASN A 78 -9.525 -14.223 0.094 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.004 -15.066 0.807 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.803 -14.009 0.081 1.00 0.00 N ATOM 0 H ASN A 78 -7.286 -10.784 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.560 -11.793 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.188 -13.099 -1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.727 -13.690 -0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.418 -14.556 0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.194 -13.293 -0.532 1.00 0.00 H new ATOM 950 N VAL A 79 -7.908 -12.694 2.210 1.00 0.00 N ATOM 951 CA VAL A 79 -7.075 -12.776 3.379 1.00 0.00 C ATOM 952 C VAL A 79 -5.883 -13.671 3.149 1.00 0.00 C ATOM 953 O VAL A 79 -5.823 -14.409 2.157 1.00 0.00 O ATOM 954 CB VAL A 79 -7.855 -13.285 4.613 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.006 -12.355 4.945 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.353 -14.702 4.381 1.00 0.00 C ATOM 0 H VAL A 79 -8.797 -13.185 2.303 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.731 -11.761 3.575 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.177 -13.297 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.540 -12.734 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.619 -11.359 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.688 -12.303 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.900 -15.044 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.013 -14.718 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.504 -15.362 4.203 1.00 0.00 H new ATOM 966 N ASN A 80 -4.938 -13.579 4.064 1.00 0.00 N ATOM 967 CA ASN A 80 -3.707 -14.362 4.059 1.00 0.00 C ATOM 968 C ASN A 80 -2.920 -14.138 2.767 1.00 0.00 C ATOM 969 O ASN A 80 -2.131 -14.983 2.341 1.00 0.00 O ATOM 970 CB ASN A 80 -3.997 -15.866 4.300 1.00 0.00 C ATOM 971 CG ASN A 80 -4.543 -16.169 5.696 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.791 -16.287 6.669 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.825 -16.382 5.795 1.00 0.00 N ATOM 0 H ASN A 80 -5.003 -12.940 4.857 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.085 -14.017 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.714 -16.213 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.079 -16.433 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.229 -16.653 6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.424 -16.278 4.976 1.00 0.00 H new ATOM 980 N TYR A 81 -3.078 -12.927 2.218 1.00 0.00 N ATOM 981 CA TYR A 81 -2.391 -12.454 1.016 1.00 0.00 C ATOM 982 C TYR A 81 -2.689 -13.354 -0.182 1.00 0.00 C ATOM 983 O TYR A 81 -1.777 -13.745 -0.928 1.00 0.00 O ATOM 984 CB TYR A 81 -0.869 -12.350 1.252 1.00 0.00 C ATOM 985 CG TYR A 81 -0.496 -11.687 2.558 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.429 -12.271 3.405 1.00 0.00 C ATOM 987 CD2 TYR A 81 -1.097 -10.516 2.966 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.741 -11.706 4.611 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.779 -9.943 4.167 1.00 0.00 C ATOM 990 CZ TYR A 81 0.135 -10.541 4.991 1.00 0.00 C ATOM 991 OH TYR A 81 0.442 -9.975 6.211 1.00 0.00 O ATOM 0 H TYR A 81 -3.708 -12.229 2.613 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.770 -11.457 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.438 -13.351 1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.421 -11.790 0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.913 -13.190 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.830 -10.044 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.463 -12.178 5.260 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.250 -9.018 4.465 1.00 0.00 H new ATOM 0 HH TYR A 81 1.301 -10.325 6.527 1.00 0.00 H new ATOM 1001 N THR A 82 -3.945 -13.670 -0.376 1.00 0.00 N ATOM 1002 CA THR A 82 -4.336 -14.514 -1.476 1.00 0.00 C ATOM 1003 C THR A 82 -5.272 -13.750 -2.408 1.00 0.00 C ATOM 1004 O THR A 82 -5.677 -12.614 -2.103 1.00 0.00 O ATOM 1005 CB THR A 82 -5.050 -15.797 -0.980 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.249 -15.450 -0.280 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.157 -16.609 -0.060 1.00 0.00 C ATOM 0 H THR A 82 -4.715 -13.355 0.215 1.00 0.00 H new ATOM 0 HA THR A 82 -3.431 -14.806 -2.009 1.00 0.00 H new ATOM 0 HB THR A 82 -5.289 -16.401 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.026 -15.169 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.689 -17.502 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.254 -16.902 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.886 -16.008 0.808 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.604 -14.356 -3.528 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.536 -13.761 -4.440 1.00 0.00 C ATOM 1017 C GLY A 83 -5.867 -12.802 -5.378 1.00 0.00 C ATOM 1018 O GLY A 83 -4.804 -13.108 -5.940 1.00 0.00 O ATOM 0 H GLY A 83 -5.238 -15.261 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.032 -14.544 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.310 -13.239 -3.878 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.453 -11.657 -5.530 1.00 0.00 N ATOM 1023 CA ARG A 84 -5.949 -10.624 -6.396 1.00 0.00 C ATOM 1024 C ARG A 84 -4.844 -9.866 -5.693 1.00 0.00 C ATOM 1025 O ARG A 84 -4.866 -9.732 -4.470 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.077 -9.680 -6.783 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.167 -10.322 -7.624 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.407 -9.447 -7.661 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.465 -9.991 -8.524 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.693 -10.377 -8.111 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -11.980 -10.483 -6.798 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.615 -10.705 -9.014 1.00 0.00 N ATOM 0 H ARG A 84 -7.315 -11.403 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.545 -11.075 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.525 -9.276 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.658 -8.838 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.801 -10.485 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.419 -11.300 -7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.794 -9.331 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.133 -8.452 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.255 -10.085 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.266 -10.271 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.911 -10.775 -6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.392 -10.664 -10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.544 -10.997 -8.711 1.00 0.00 H new ATOM 1046 N ILE A 85 -3.896 -9.379 -6.450 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.769 -8.693 -5.889 1.00 0.00 C ATOM 1048 C ILE A 85 -2.611 -7.329 -6.561 1.00 0.00 C ATOM 1049 O ILE A 85 -2.840 -7.183 -7.760 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.463 -9.543 -6.044 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.310 -8.924 -5.267 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.065 -9.668 -7.508 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.938 -9.782 -5.254 1.00 0.00 C ATOM 0 H ILE A 85 -3.886 -9.448 -7.468 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.942 -8.545 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.674 -10.534 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.070 -7.953 -5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.629 -8.744 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.155 -10.263 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.867 -10.155 -8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.888 -8.676 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.719 -9.280 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.713 -10.744 -4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.281 -9.940 -6.276 1.00 0.00 H new ATOM 1065 N THR A 86 -2.335 -6.338 -5.788 1.00 0.00 N ATOM 1066 CA THR A 86 -2.078 -5.013 -6.302 1.00 0.00 C ATOM 1067 C THR A 86 -0.803 -4.463 -5.678 1.00 0.00 C ATOM 1068 O THR A 86 -0.670 -4.472 -4.465 1.00 0.00 O ATOM 1069 CB THR A 86 -3.293 -4.094 -6.053 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.420 -4.645 -6.740 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.042 -2.680 -6.552 1.00 0.00 C ATOM 0 H THR A 86 -2.278 -6.411 -4.772 1.00 0.00 H new ATOM 0 HA THR A 86 -1.930 -5.059 -7.381 1.00 0.00 H new ATOM 0 HB THR A 86 -3.475 -4.038 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.033 -5.050 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.920 -2.065 -6.358 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.182 -2.258 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.844 -2.702 -7.624 1.00 0.00 H new ATOM 1079 N GLY A 87 0.136 -4.034 -6.501 1.00 0.00 N ATOM 1080 CA GLY A 87 1.399 -3.551 -5.986 1.00 0.00 C ATOM 1081 C GLY A 87 1.642 -2.089 -6.250 1.00 0.00 C ATOM 1082 O GLY A 87 1.800 -1.681 -7.401 1.00 0.00 O ATOM 0 H GLY A 87 0.048 -4.011 -7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.434 -3.728 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.208 -4.131 -6.431 1.00 0.00 H new ATOM 1086 N LEU A 88 1.709 -1.315 -5.195 1.00 0.00 N ATOM 1087 CA LEU A 88 1.942 0.116 -5.291 1.00 0.00 C ATOM 1088 C LEU A 88 3.333 0.466 -4.813 1.00 0.00 C ATOM 1089 O LEU A 88 3.855 -0.154 -3.872 1.00 0.00 O ATOM 1090 CB LEU A 88 0.877 0.896 -4.492 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.309 1.460 -5.289 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.127 2.667 -6.103 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.897 0.397 -6.205 1.00 0.00 C ATOM 0 H LEU A 88 1.604 -1.655 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 88 1.861 0.405 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.484 0.238 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.371 1.725 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.078 1.771 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.724 3.055 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.505 3.440 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.914 2.372 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.735 0.818 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.133 0.057 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.244 -0.446 -5.608 1.00 0.00 H new ATOM 1105 N GLY A 89 3.920 1.448 -5.451 1.00 0.00 N ATOM 1106 CA GLY A 89 5.242 1.873 -5.112 1.00 0.00 C ATOM 1107 C GLY A 89 5.265 3.286 -4.597 1.00 0.00 C ATOM 1108 O GLY A 89 4.250 4.002 -4.692 1.00 0.00 O ATOM 0 H GLY A 89 3.491 1.969 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.655 1.205 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.884 1.797 -5.990 1.00 0.00 H new ATOM 1112 N HIS A 90 6.408 3.703 -4.082 1.00 0.00 N ATOM 1113 CA HIS A 90 6.550 5.021 -3.472 1.00 0.00 C ATOM 1114 C HIS A 90 6.349 6.138 -4.482 1.00 0.00 C ATOM 1115 O HIS A 90 6.908 6.115 -5.587 1.00 0.00 O ATOM 1116 CB HIS A 90 7.906 5.192 -2.731 1.00 0.00 C ATOM 1117 CG HIS A 90 9.143 5.174 -3.601 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.758 6.308 -4.107 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.893 4.138 -4.016 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.835 5.921 -4.790 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.965 4.612 -4.766 1.00 0.00 N ATOM 0 H HIS A 90 7.261 3.144 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 90 5.759 5.092 -2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.883 6.135 -2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.995 4.398 -1.990 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.442 7.269 -3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.694 3.099 -3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.512 6.593 -5.296 1.00 0.00 H new ATOM 1129 N GLY A 91 5.524 7.084 -4.125 1.00 0.00 N ATOM 1130 CA GLY A 91 5.298 8.211 -4.973 1.00 0.00 C ATOM 1131 C GLY A 91 4.235 7.936 -5.992 1.00 0.00 C ATOM 1132 O GLY A 91 4.024 8.718 -6.909 1.00 0.00 O ATOM 0 H GLY A 91 4.999 7.092 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.007 9.069 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.226 8.477 -5.479 1.00 0.00 H new ATOM 1136 N THR A 92 3.577 6.823 -5.858 1.00 0.00 N ATOM 1137 CA THR A 92 2.523 6.480 -6.749 1.00 0.00 C ATOM 1138 C THR A 92 1.243 6.287 -5.946 1.00 0.00 C ATOM 1139 O THR A 92 1.279 5.830 -4.789 1.00 0.00 O ATOM 1140 CB THR A 92 2.883 5.194 -7.518 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.196 5.360 -8.097 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.881 4.919 -8.636 1.00 0.00 C ATOM 0 H THR A 92 3.759 6.133 -5.129 1.00 0.00 H new ATOM 0 HA THR A 92 2.374 7.279 -7.475 1.00 0.00 H new ATOM 0 HB THR A 92 2.862 4.353 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.441 4.549 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.162 4.005 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.884 4.801 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.880 5.754 -9.337 1.00 0.00 H new ATOM 1150 N CYS A 93 0.144 6.637 -6.536 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.128 6.507 -5.902 1.00 0.00 C ATOM 1152 C CYS A 93 -2.090 5.940 -6.916 1.00 0.00 C ATOM 1153 O CYS A 93 -1.857 6.037 -8.122 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.690 7.865 -5.475 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.517 9.101 -4.762 1.00 0.00 S ATOM 0 H CYS A 93 0.105 7.024 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.009 5.874 -5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.166 8.318 -6.345 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.475 7.686 -4.740 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.127 5.330 -6.449 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.189 4.885 -7.293 1.00 0.00 C ATOM 1162 C ILE A 94 -5.209 5.984 -7.297 1.00 0.00 C ATOM 1163 O ILE A 94 -5.609 6.441 -6.225 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.844 3.604 -6.755 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.780 2.554 -6.529 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.896 3.096 -7.741 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.304 1.249 -5.968 1.00 0.00 C ATOM 0 H ILE A 94 -3.264 5.123 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.804 4.662 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.339 3.820 -5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.277 2.354 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.030 2.954 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.353 2.188 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.663 3.858 -7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.423 2.880 -8.699 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.477 0.551 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.781 1.432 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.032 0.822 -6.658 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.607 6.416 -8.463 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.569 7.519 -8.581 1.00 0.00 C ATOM 1181 C ASP A 95 -7.924 7.059 -8.095 1.00 0.00 C ATOM 1182 O ASP A 95 -8.585 7.727 -7.279 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.700 8.000 -10.035 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.392 8.406 -10.668 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.896 9.512 -10.402 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.840 7.614 -11.477 1.00 0.00 O ATOM 0 H ASP A 95 -5.290 6.033 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.204 8.348 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.149 7.205 -10.631 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.385 8.847 -10.066 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.315 5.891 -8.561 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.571 5.308 -8.208 1.00 0.00 C ATOM 1193 C ASP A 96 -9.388 3.831 -7.994 1.00 0.00 C ATOM 1194 O ASP A 96 -9.332 3.064 -8.957 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.601 5.436 -9.305 1.00 0.00 C ATOM 1196 CG ASP A 96 -10.968 6.814 -9.776 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.166 7.437 -10.488 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.118 7.242 -9.519 1.00 0.00 O ATOM 0 H ASP A 96 -7.758 5.323 -9.200 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.913 5.833 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.241 4.874 -10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.513 4.947 -8.964 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.269 3.425 -6.770 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.118 2.025 -6.446 1.00 0.00 C ATOM 1205 C PHE A 97 -10.379 1.243 -6.826 1.00 0.00 C ATOM 1206 O PHE A 97 -10.310 0.148 -7.354 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.770 1.847 -4.968 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.456 0.433 -4.600 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.340 -0.185 -5.118 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.261 -0.269 -3.735 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -7.027 -1.480 -4.787 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -8.957 -1.568 -3.397 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.837 -2.174 -3.925 1.00 0.00 C ATOM 0 H PHE A 97 -9.273 4.046 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.291 1.621 -7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.914 2.477 -4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.605 2.196 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.700 0.359 -5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -10.139 0.202 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.148 -1.950 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.596 -2.113 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.598 -3.193 -3.660 1.00 0.00 H new ATOM 1223 N THR A 98 -11.520 1.867 -6.619 1.00 0.00 N ATOM 1224 CA THR A 98 -12.802 1.241 -6.876 1.00 0.00 C ATOM 1225 C THR A 98 -13.067 1.032 -8.392 1.00 0.00 C ATOM 1226 O THR A 98 -13.901 0.225 -8.776 1.00 0.00 O ATOM 1227 CB THR A 98 -13.964 2.035 -6.193 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.224 1.387 -6.397 1.00 0.00 O ATOM 1229 CG2 THR A 98 -14.039 3.464 -6.714 1.00 0.00 C ATOM 0 H THR A 98 -11.586 2.822 -6.268 1.00 0.00 H new ATOM 0 HA THR A 98 -12.766 0.248 -6.429 1.00 0.00 H new ATOM 0 HB THR A 98 -13.748 2.060 -5.125 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.932 1.903 -5.959 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.856 3.989 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 98 -13.100 3.977 -6.506 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.214 3.450 -7.790 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.337 1.735 -9.244 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.510 1.580 -10.685 1.00 0.00 C ATOM 1239 C LYS A 99 -11.581 0.489 -11.190 1.00 0.00 C ATOM 1240 O LYS A 99 -11.594 0.133 -12.371 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.244 2.894 -11.417 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.004 4.073 -10.838 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.485 3.981 -10.972 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.164 5.047 -10.106 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.664 6.433 -10.346 1.00 0.00 N ATOM 0 H LYS A 99 -11.626 2.412 -8.969 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.543 1.296 -10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.176 3.109 -11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.514 2.777 -12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.753 4.167 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.664 4.985 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.772 4.113 -12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.823 2.989 -10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.238 5.022 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.017 4.795 -9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.288 7.115 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.699 6.524 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.655 6.627 -11.368 1.00 0.00 H new ATOM 1259 N SER A 100 -10.735 -0.003 -10.305 1.00 0.00 N ATOM 1260 CA SER A 100 -9.854 -1.092 -10.615 1.00 0.00 C ATOM 1261 C SER A 100 -10.622 -2.417 -10.393 1.00 0.00 C ATOM 1262 O SER A 100 -11.862 -2.415 -10.308 1.00 0.00 O ATOM 1263 CB SER A 100 -8.586 -1.005 -9.737 1.00 0.00 C ATOM 1264 OG SER A 100 -7.590 -1.941 -10.145 1.00 0.00 O ATOM 0 H SER A 100 -10.646 0.348 -9.351 1.00 0.00 H new ATOM 0 HA SER A 100 -9.530 -1.046 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.178 0.004 -9.788 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.852 -1.189 -8.696 1.00 0.00 H new ATOM 0 HG SER A 100 -6.803 -1.854 -9.567 1.00 0.00 H new ATOM 1270 N GLY A 101 -9.898 -3.517 -10.306 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.503 -4.825 -10.152 1.00 0.00 C ATOM 1272 C GLY A 101 -11.317 -4.960 -8.877 1.00 0.00 C ATOM 1273 O GLY A 101 -12.547 -5.065 -8.920 1.00 0.00 O ATOM 0 H GLY A 101 -8.879 -3.529 -10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.146 -5.024 -11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.720 -5.583 -10.158 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.656 -4.949 -7.758 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.328 -5.083 -6.487 1.00 0.00 C ATOM 1279 C PHE A 102 -11.264 -3.779 -5.732 1.00 0.00 C ATOM 1280 O PHE A 102 -10.312 -3.033 -5.889 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.726 -6.232 -5.657 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.263 -6.080 -5.286 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.265 -6.342 -6.208 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.894 -5.713 -4.003 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -6.937 -6.240 -5.862 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.564 -5.608 -3.655 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.587 -5.872 -4.583 1.00 0.00 C ATOM 0 H PHE A 102 -9.643 -4.848 -7.693 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.374 -5.329 -6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.306 -6.335 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.846 -7.160 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.532 -6.631 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.657 -5.507 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.170 -6.449 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.290 -5.318 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.545 -5.791 -4.310 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.285 -3.485 -4.948 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.264 -2.269 -4.144 1.00 0.00 C ATOM 1299 C LYS A 103 -12.179 -2.624 -2.652 1.00 0.00 C ATOM 1300 O LYS A 103 -12.139 -1.753 -1.797 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.504 -1.371 -4.430 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.768 -1.648 -3.599 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.312 -3.060 -3.742 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.451 -3.290 -2.761 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.617 -2.408 -3.014 1.00 0.00 N ATOM 0 H LYS A 103 -13.125 -4.056 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.379 -1.696 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.215 -0.332 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.761 -1.473 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.546 -1.461 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.544 -0.941 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.663 -3.220 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.517 -3.783 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.770 -4.331 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.089 -3.124 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.410 -2.698 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.360 -1.423 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.899 -2.483 -4.012 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.152 -3.910 -2.364 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.141 -4.355 -0.999 1.00 0.00 C ATOM 1321 C GLY A 104 -10.907 -5.149 -0.681 1.00 0.00 C ATOM 1322 O GLY A 104 -10.715 -6.240 -1.218 1.00 0.00 O ATOM 0 H GLY A 104 -12.137 -4.657 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.199 -3.492 -0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.024 -4.964 -0.808 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.082 -4.607 0.180 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.832 -5.229 0.568 1.00 0.00 C ATOM 1328 C ILE A 105 -9.025 -5.993 1.825 1.00 0.00 C ATOM 1329 O ILE A 105 -9.404 -5.462 2.863 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.728 -4.153 0.740 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.559 -3.404 -0.566 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.409 -4.777 1.155 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.783 -2.126 -0.435 1.00 0.00 C ATOM 0 H ILE A 105 -10.257 -3.713 0.638 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.514 -5.918 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.032 -3.465 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.055 -4.052 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.544 -3.180 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.657 -3.996 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.536 -5.298 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.086 -5.486 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.704 -1.647 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.296 -1.458 0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.785 -2.344 -0.056 1.00 0.00 H new ATOM 1345 N SER A 106 -8.839 -7.238 1.663 1.00 0.00 N ATOM 1346 CA SER A 106 -8.913 -8.207 2.664 1.00 0.00 C ATOM 1347 C SER A 106 -7.602 -8.399 3.454 1.00 0.00 C ATOM 1348 O SER A 106 -7.626 -8.841 4.599 1.00 0.00 O ATOM 1349 CB SER A 106 -9.387 -9.448 2.031 1.00 0.00 C ATOM 1350 OG SER A 106 -10.732 -9.349 1.622 1.00 0.00 O ATOM 0 H SER A 106 -8.613 -7.635 0.751 1.00 0.00 H new ATOM 0 HA SER A 106 -9.614 -7.877 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.761 -9.677 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.281 -10.276 2.731 1.00 0.00 H new ATOM 0 HG SER A 106 -10.819 -9.674 0.701 1.00 0.00 H new ATOM 1356 N SER A 107 -6.465 -8.139 2.822 1.00 0.00 N ATOM 1357 CA SER A 107 -5.184 -8.249 3.504 1.00 0.00 C ATOM 1358 C SER A 107 -4.145 -7.376 2.801 1.00 0.00 C ATOM 1359 O SER A 107 -4.300 -7.062 1.613 1.00 0.00 O ATOM 1360 CB SER A 107 -4.715 -9.719 3.604 1.00 0.00 C ATOM 1361 OG SER A 107 -4.529 -10.331 2.342 1.00 0.00 O ATOM 0 H SER A 107 -6.404 -7.852 1.845 1.00 0.00 H new ATOM 0 HA SER A 107 -5.306 -7.890 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.779 -9.758 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.449 -10.290 4.173 1.00 0.00 H new ATOM 0 HG SER A 107 -5.399 -10.465 1.912 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.111 -6.980 3.518 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.094 -6.086 2.987 1.00 0.00 C ATOM 1369 C ILE A 108 -0.734 -6.613 3.370 1.00 0.00 C ATOM 1370 O ILE A 108 -0.500 -6.899 4.534 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.211 -4.654 3.580 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.620 -4.101 3.425 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.197 -3.721 2.936 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.757 -2.719 3.975 1.00 0.00 C ATOM 0 H ILE A 108 -2.950 -7.267 4.484 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.232 -6.040 1.907 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.995 -4.719 4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.891 -4.097 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.324 -4.761 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.296 -2.724 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.190 -4.096 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.377 -3.673 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.782 -2.373 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.515 -2.725 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.075 -2.050 3.451 1.00 0.00 H new ATOM 1386 N LYS A 109 0.160 -6.711 2.428 1.00 0.00 N ATOM 1387 CA LYS A 109 1.486 -7.184 2.720 1.00 0.00 C ATOM 1388 C LYS A 109 2.455 -6.071 2.418 1.00 0.00 C ATOM 1389 O LYS A 109 2.413 -5.482 1.328 1.00 0.00 O ATOM 1390 CB LYS A 109 1.852 -8.416 1.876 1.00 0.00 C ATOM 1391 CG LYS A 109 3.159 -9.084 2.308 1.00 0.00 C ATOM 1392 CD LYS A 109 3.645 -10.152 1.325 1.00 0.00 C ATOM 1393 CE LYS A 109 2.632 -11.249 1.083 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.146 -12.267 0.141 1.00 0.00 N ATOM 0 H LYS A 109 -0.004 -6.470 1.450 1.00 0.00 H new ATOM 0 HA LYS A 109 1.531 -7.478 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.043 -9.144 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.933 -8.119 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.930 -8.322 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.020 -9.539 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.889 -9.677 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.565 -10.595 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.377 -11.725 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.714 -10.816 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.426 -13.003 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.366 -11.817 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.008 -12.697 0.532 1.00 0.00 H new ATOM 1408 N ARG A 110 3.296 -5.758 3.359 1.00 0.00 N ATOM 1409 CA ARG A 110 4.264 -4.733 3.149 1.00 0.00 C ATOM 1410 C ARG A 110 5.563 -5.360 2.706 1.00 0.00 C ATOM 1411 O ARG A 110 6.080 -6.304 3.333 1.00 0.00 O ATOM 1412 CB ARG A 110 4.499 -3.918 4.411 1.00 0.00 C ATOM 1413 CG ARG A 110 5.393 -2.708 4.194 1.00 0.00 C ATOM 1414 CD ARG A 110 5.785 -2.071 5.508 1.00 0.00 C ATOM 1415 NE ARG A 110 6.688 -2.933 6.269 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.311 -2.586 7.390 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.956 -1.472 8.039 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.245 -3.387 7.899 1.00 0.00 N ATOM 0 H ARG A 110 3.328 -6.200 4.278 1.00 0.00 H new ATOM 0 HA ARG A 110 3.886 -4.060 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.538 -3.584 4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.947 -4.559 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.289 -3.008 3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.875 -1.977 3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.267 -1.112 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.891 -1.868 6.097 1.00 0.00 H new ATOM 0 HE ARG A 110 6.852 -3.874 5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.205 -0.886 7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.436 -1.208 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.479 -4.261 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.727 -3.126 8.759 1.00 0.00 H new ATOM 1432 N CYS A 111 6.079 -4.852 1.659 1.00 0.00 N ATOM 1433 CA CYS A 111 7.288 -5.315 1.098 1.00 0.00 C ATOM 1434 C CYS A 111 8.243 -4.148 0.961 1.00 0.00 C ATOM 1435 O CYS A 111 7.887 -2.996 1.249 1.00 0.00 O ATOM 1436 CB CYS A 111 7.010 -5.961 -0.253 1.00 0.00 C ATOM 1437 SG CYS A 111 5.877 -7.395 -0.199 1.00 0.00 S ATOM 0 H CYS A 111 5.659 -4.075 1.148 1.00 0.00 H new ATOM 0 HA CYS A 111 7.743 -6.066 1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.589 -5.208 -0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.957 -6.280 -0.689 1.00 0.00 H new ATOM 1442 N ILE A 112 9.437 -4.432 0.601 1.00 0.00 N ATOM 1443 CA ILE A 112 10.435 -3.430 0.401 1.00 0.00 C ATOM 1444 C ILE A 112 11.081 -3.622 -0.945 1.00 0.00 C ATOM 1445 O ILE A 112 11.285 -4.744 -1.388 1.00 0.00 O ATOM 1446 CB ILE A 112 11.521 -3.461 1.494 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.954 -4.899 1.752 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.029 -2.796 2.777 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.267 -5.020 2.450 1.00 0.00 C ATOM 0 H ILE A 112 9.763 -5.383 0.431 1.00 0.00 H new ATOM 0 HA ILE A 112 9.939 -2.461 0.452 1.00 0.00 H new ATOM 0 HB ILE A 112 12.384 -2.894 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.189 -5.397 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.010 -5.427 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.816 -2.833 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.771 -1.757 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.149 -3.323 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.505 -6.073 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.045 -4.553 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.212 -4.522 3.418 1.00 0.00 H new ATOM 1461 N GLN A 113 11.380 -2.556 -1.584 1.00 0.00 N ATOM 1462 CA GLN A 113 12.006 -2.593 -2.865 1.00 0.00 C ATOM 1463 C GLN A 113 13.415 -2.081 -2.721 1.00 0.00 C ATOM 1464 O GLN A 113 13.645 -0.964 -2.236 1.00 0.00 O ATOM 1465 CB GLN A 113 11.199 -1.812 -3.912 1.00 0.00 C ATOM 1466 CG GLN A 113 11.841 -1.781 -5.292 1.00 0.00 C ATOM 1467 CD GLN A 113 10.945 -1.171 -6.355 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.907 0.050 -6.543 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.302 -2.007 -7.121 1.00 0.00 N ATOM 0 H GLN A 113 11.198 -1.615 -1.234 1.00 0.00 H new ATOM 0 HA GLN A 113 12.040 -3.619 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.206 -2.254 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.064 -0.788 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.771 -1.214 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.103 -2.797 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.354 -3.009 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.747 -1.659 -7.903 1.00 0.00 H new ATOM 1478 N THR A 114 14.337 -2.898 -3.105 1.00 0.00 N ATOM 1479 CA THR A 114 15.730 -2.634 -2.945 1.00 0.00 C ATOM 1480 C THR A 114 16.215 -1.656 -4.005 1.00 0.00 C ATOM 1481 O THR A 114 15.456 -1.256 -4.902 1.00 0.00 O ATOM 1482 CB THR A 114 16.492 -3.930 -3.137 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.229 -4.400 -4.459 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.053 -4.986 -2.135 1.00 0.00 C ATOM 0 H THR A 114 14.138 -3.793 -3.551 1.00 0.00 H new ATOM 0 HA THR A 114 15.894 -2.213 -1.953 1.00 0.00 H new ATOM 0 HB THR A 114 17.555 -3.746 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 114 16.964 -4.978 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.619 -5.903 -2.301 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.235 -4.625 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.990 -5.189 -2.262 1.00 0.00 H new ATOM 1492 N LYS A 115 17.471 -1.272 -3.928 1.00 0.00 N ATOM 1493 CA LYS A 115 18.060 -0.426 -4.954 1.00 0.00 C ATOM 1494 C LYS A 115 18.166 -1.175 -6.301 1.00 0.00 C ATOM 1495 O LYS A 115 18.228 -0.554 -7.356 1.00 0.00 O ATOM 1496 CB LYS A 115 19.411 0.171 -4.479 1.00 0.00 C ATOM 1497 CG LYS A 115 20.197 1.011 -5.509 1.00 0.00 C ATOM 1498 CD LYS A 115 19.362 2.101 -6.171 1.00 0.00 C ATOM 1499 CE LYS A 115 18.840 3.135 -5.194 1.00 0.00 C ATOM 1500 NZ LYS A 115 18.008 4.161 -5.859 1.00 0.00 N ATOM 0 H LYS A 115 18.105 -1.528 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 115 17.396 0.421 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.219 0.795 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.049 -0.649 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.053 1.470 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.592 0.349 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.965 2.600 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.519 1.640 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.253 2.639 -4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.680 3.618 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.673 4.847 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.574 4.654 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.191 3.705 -6.313 1.00 0.00 H new ATOM 1514 N ASP A 116 18.126 -2.504 -6.271 1.00 0.00 N ATOM 1515 CA ASP A 116 18.201 -3.256 -7.522 1.00 0.00 C ATOM 1516 C ASP A 116 16.806 -3.421 -8.125 1.00 0.00 C ATOM 1517 O ASP A 116 16.651 -3.882 -9.263 1.00 0.00 O ATOM 1518 CB ASP A 116 18.882 -4.627 -7.345 1.00 0.00 C ATOM 1519 CG ASP A 116 18.046 -5.667 -6.685 1.00 0.00 C ATOM 1520 OD1 ASP A 116 18.138 -5.810 -5.450 1.00 0.00 O ATOM 1521 OD2 ASP A 116 17.313 -6.380 -7.387 1.00 0.00 O ATOM 0 H ASP A 116 18.045 -3.068 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 116 18.823 -2.681 -8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.184 -4.994 -8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 116 19.792 -4.490 -6.761 1.00 0.00 H new ATOM 1526 N GLY A 117 15.801 -3.017 -7.366 1.00 0.00 N ATOM 1527 CA GLY A 117 14.442 -3.020 -7.845 1.00 0.00 C ATOM 1528 C GLY A 117 13.680 -4.266 -7.490 1.00 0.00 C ATOM 1529 O GLY A 117 12.495 -4.392 -7.840 1.00 0.00 O ATOM 0 H GLY A 117 15.910 -2.681 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.919 -2.156 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.448 -2.904 -8.929 1.00 0.00 H new ATOM 1533 N LYS A 118 14.318 -5.201 -6.819 1.00 0.00 N ATOM 1534 CA LYS A 118 13.601 -6.373 -6.401 1.00 0.00 C ATOM 1535 C LYS A 118 12.773 -6.051 -5.195 1.00 0.00 C ATOM 1536 O LYS A 118 13.127 -5.178 -4.386 1.00 0.00 O ATOM 1537 CB LYS A 118 14.487 -7.585 -6.122 1.00 0.00 C ATOM 1538 CG LYS A 118 15.513 -7.410 -5.030 1.00 0.00 C ATOM 1539 CD LYS A 118 16.076 -8.742 -4.619 1.00 0.00 C ATOM 1540 CE LYS A 118 17.132 -8.616 -3.545 1.00 0.00 C ATOM 1541 NZ LYS A 118 17.528 -9.945 -3.036 1.00 0.00 N ATOM 0 H LYS A 118 15.304 -5.171 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 118 12.967 -6.659 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.846 -8.427 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.006 -7.852 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.316 -6.761 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.057 -6.920 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.268 -9.379 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.505 -9.236 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.005 -8.101 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.752 -8.007 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.520 -9.916 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.920 -10.205 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.424 -10.652 -3.792 1.00 0.00 H new ATOM 1555 N VAL A 119 11.676 -6.713 -5.073 1.00 0.00 N ATOM 1556 CA VAL A 119 10.814 -6.467 -3.986 1.00 0.00 C ATOM 1557 C VAL A 119 10.862 -7.649 -3.030 1.00 0.00 C ATOM 1558 O VAL A 119 10.421 -8.763 -3.363 1.00 0.00 O ATOM 1559 CB VAL A 119 9.363 -6.180 -4.454 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.530 -5.709 -3.297 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.342 -5.138 -5.557 1.00 0.00 C ATOM 0 H VAL A 119 11.358 -7.433 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 119 11.155 -5.571 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 119 8.946 -7.107 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.514 -5.511 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.511 -6.479 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.960 -4.795 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.313 -4.956 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.780 -4.210 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.918 -5.498 -6.409 1.00 0.00 H new ATOM 1571 N GLU A 120 11.408 -7.404 -1.876 1.00 0.00 N ATOM 1572 CA GLU A 120 11.545 -8.388 -0.839 1.00 0.00 C ATOM 1573 C GLU A 120 10.340 -8.246 0.066 1.00 0.00 C ATOM 1574 O GLU A 120 9.866 -7.131 0.289 1.00 0.00 O ATOM 1575 CB GLU A 120 12.829 -8.127 -0.036 1.00 0.00 C ATOM 1576 CG GLU A 120 14.111 -8.097 -0.864 1.00 0.00 C ATOM 1577 CD GLU A 120 14.527 -9.449 -1.381 1.00 0.00 C ATOM 1578 OE1 GLU A 120 13.958 -9.942 -2.352 1.00 0.00 O ATOM 1579 OE2 GLU A 120 15.477 -10.040 -0.826 1.00 0.00 O ATOM 0 H GLU A 120 11.781 -6.490 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 120 11.604 -9.392 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.727 -7.174 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.925 -8.898 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.973 -7.421 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.917 -7.686 -0.256 1.00 0.00 H new ATOM 1586 N CYS A 121 9.853 -9.318 0.590 1.00 0.00 N ATOM 1587 CA CYS A 121 8.655 -9.260 1.389 1.00 0.00 C ATOM 1588 C CYS A 121 8.837 -9.978 2.700 1.00 0.00 C ATOM 1589 O CYS A 121 9.798 -10.738 2.878 1.00 0.00 O ATOM 1590 CB CYS A 121 7.468 -9.847 0.619 1.00 0.00 C ATOM 1591 SG CYS A 121 7.007 -8.935 -0.895 1.00 0.00 S ATOM 0 H CYS A 121 10.257 -10.249 0.486 1.00 0.00 H new ATOM 0 HA CYS A 121 8.449 -8.212 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.702 -10.876 0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.604 -9.881 1.283 1.00 0.00 H new ATOM 1596 N ILE A 122 7.960 -9.691 3.630 1.00 0.00 N ATOM 1597 CA ILE A 122 7.965 -10.334 4.917 1.00 0.00 C ATOM 1598 C ILE A 122 7.400 -11.756 4.743 1.00 0.00 C ATOM 1599 O ILE A 122 6.379 -11.942 4.058 1.00 0.00 O ATOM 1600 CB ILE A 122 7.120 -9.496 5.946 1.00 0.00 C ATOM 1601 CG1 ILE A 122 7.124 -10.119 7.346 1.00 0.00 C ATOM 1602 CG2 ILE A 122 5.695 -9.239 5.458 1.00 0.00 C ATOM 1603 CD1 ILE A 122 8.467 -10.059 8.036 1.00 0.00 C ATOM 0 H ILE A 122 7.219 -9.000 3.513 1.00 0.00 H new ATOM 0 HA ILE A 122 8.979 -10.397 5.312 1.00 0.00 H new ATOM 0 HB ILE A 122 7.614 -8.527 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.386 -9.607 7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.811 -11.160 7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.154 -8.657 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.726 -8.686 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 122 5.187 -10.191 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 122 8.391 -10.519 9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 122 9.206 -10.596 7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.774 -9.019 8.144 1.00 0.00 H new ATOM 1615 N ASN A 123 8.077 -12.748 5.291 1.00 0.00 N ATOM 1616 CA ASN A 123 7.640 -14.132 5.131 1.00 0.00 C ATOM 1617 C ASN A 123 6.459 -14.408 6.001 1.00 0.00 C ATOM 1618 O ASN A 123 6.577 -14.510 7.222 1.00 0.00 O ATOM 1619 CB ASN A 123 8.759 -15.152 5.400 1.00 0.00 C ATOM 1620 CG ASN A 123 9.860 -15.150 4.349 1.00 0.00 C ATOM 1621 OD1 ASN A 123 10.187 -14.113 3.754 1.00 0.00 O ATOM 1622 ND2 ASN A 123 10.427 -16.303 4.095 1.00 0.00 N ATOM 0 H ASN A 123 8.924 -12.629 5.846 1.00 0.00 H new ATOM 0 HA ASN A 123 7.356 -14.252 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 123 9.200 -14.944 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 123 8.323 -16.150 5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 123 11.161 -16.366 3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 123 10.135 -17.138 4.603 1.00 0.00 H new ATOM 1629 N GLN A 124 5.325 -14.482 5.369 1.00 0.00 N ATOM 1630 CA GLN A 124 4.054 -14.685 6.004 1.00 0.00 C ATOM 1631 C GLN A 124 3.183 -15.429 5.024 1.00 0.00 C ATOM 1632 O GLN A 124 3.071 -16.655 5.145 1.00 0.00 O ATOM 1633 CB GLN A 124 3.398 -13.338 6.388 1.00 0.00 C ATOM 1634 CG GLN A 124 4.136 -12.549 7.466 1.00 0.00 C ATOM 1635 CD GLN A 124 3.518 -11.199 7.756 1.00 0.00 C ATOM 1636 OE1 GLN A 124 2.922 -10.570 6.889 1.00 0.00 O ATOM 1637 NE2 GLN A 124 3.677 -10.733 8.964 1.00 0.00 N ATOM 1638 OXT GLN A 124 2.672 -14.794 4.055 1.00 0.00 O ATOM 0 H GLN A 124 5.256 -14.399 4.355 1.00 0.00 H new ATOM 0 HA GLN A 124 4.181 -15.252 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 124 3.322 -12.720 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 124 2.381 -13.530 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 124 4.156 -13.135 8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.171 -12.407 7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.179 -11.283 9.661 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.300 -9.818 9.211 1.00 0.00 H new TER 1647 GLN A 124