USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 472 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 60 ASN : amide:sc= -6.75! C(o=-7.8!,f=-1.4!) USER MOD Set 1.2: A 69 ASN : amide:sc= -1.08 X(o=-7.8,f=-8.1!) USER MOD Single : A 1 GLU N :NH3+ 157:sc= -0.189 (180deg=-1.66!) USER MOD Single : A 10 SER OG : rot 17:sc= -0.506! USER MOD Single : A 13 ASN : amide:sc= -0.832 K(o=-0.83,f=-7.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 28 GLN : amide:sc= -4.27! K(o=-4.3!,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0918) USER MOD Single : A 45 THR OG1 : rot -33:sc= -3.04! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0.554 K(o=0.55,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -9.033 10.886 7.940 1.00 0.00 N ATOM 2 CA GLU A 1 -9.594 10.931 6.564 1.00 0.00 C ATOM 3 C GLU A 1 -8.937 9.888 5.666 1.00 0.00 C ATOM 4 O GLU A 1 -9.492 8.812 5.439 1.00 0.00 O ATOM 5 CB GLU A 1 -9.371 12.333 5.993 1.00 0.00 C ATOM 6 CG GLU A 1 -8.116 13.011 6.517 1.00 0.00 C ATOM 7 CD GLU A 1 -8.410 14.017 7.612 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.644 15.200 7.284 1.00 0.00 O ATOM 9 OE2 GLU A 1 -8.407 13.623 8.797 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.184 11.803 8.407 1.00 0.00 H new ATOM 0 H2 GLU A 1 -9.509 10.138 8.484 1.00 0.00 H new ATOM 0 H3 GLU A 1 -8.014 10.685 7.893 1.00 0.00 H new ATOM 0 HA GLU A 1 -10.660 10.705 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -9.312 12.269 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -10.235 12.954 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -7.431 12.254 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -7.609 13.514 5.694 1.00 0.00 H new ATOM 18 N ALA A 2 -7.753 10.212 5.158 1.00 0.00 N ATOM 19 CA ALA A 2 -7.021 9.302 4.285 1.00 0.00 C ATOM 20 C ALA A 2 -6.302 8.227 5.092 1.00 0.00 C ATOM 21 O ALA A 2 -6.307 8.252 6.323 1.00 0.00 O ATOM 22 CB ALA A 2 -6.029 10.076 3.431 1.00 0.00 C ATOM 0 H ALA A 2 -7.280 11.098 5.336 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.739 8.808 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.489 9.385 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.564 10.802 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.321 10.596 4.077 1.00 0.00 H new ATOM 28 N GLY A 3 -5.684 7.282 4.390 1.00 0.00 N ATOM 29 CA GLY A 3 -4.969 6.210 5.058 1.00 0.00 C ATOM 30 C GLY A 3 -3.603 6.644 5.552 1.00 0.00 C ATOM 31 O GLY A 3 -3.469 7.136 6.673 1.00 0.00 O ATOM 0 H GLY A 3 -5.666 7.240 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.560 5.853 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.854 5.371 4.372 1.00 0.00 H new ATOM 35 N GLU A 4 -2.587 6.459 4.716 1.00 0.00 N ATOM 36 CA GLU A 4 -1.224 6.835 5.075 1.00 0.00 C ATOM 37 C GLU A 4 -0.675 7.880 4.110 1.00 0.00 C ATOM 38 O GLU A 4 -1.319 8.225 3.120 1.00 0.00 O ATOM 39 CB GLU A 4 -0.318 5.602 5.080 1.00 0.00 C ATOM 40 CG GLU A 4 -0.438 4.765 6.343 1.00 0.00 C ATOM 41 CD GLU A 4 0.770 3.878 6.572 1.00 0.00 C ATOM 42 OE1 GLU A 4 1.754 4.359 7.173 1.00 0.00 O ATOM 43 OE2 GLU A 4 0.733 2.703 6.151 1.00 0.00 O ATOM 0 H GLU A 4 -2.681 6.051 3.786 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.244 7.267 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.559 4.980 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.717 5.922 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.567 5.425 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.332 4.145 6.280 1.00 0.00 H new ATOM 50 N GLU A 5 0.521 8.380 4.406 1.00 0.00 N ATOM 51 CA GLU A 5 1.158 9.386 3.564 1.00 0.00 C ATOM 52 C GLU A 5 2.382 8.810 2.861 1.00 0.00 C ATOM 53 O GLU A 5 3.254 8.218 3.496 1.00 0.00 O ATOM 54 CB GLU A 5 1.560 10.600 4.403 1.00 0.00 C ATOM 55 CG GLU A 5 0.530 10.983 5.453 1.00 0.00 C ATOM 56 CD GLU A 5 0.049 12.413 5.305 1.00 0.00 C ATOM 57 OE1 GLU A 5 -0.830 12.659 4.453 1.00 0.00 O ATOM 58 OE2 GLU A 5 0.552 13.287 6.042 1.00 0.00 O ATOM 0 H GLU A 5 1.068 8.105 5.222 1.00 0.00 H new ATOM 0 HA GLU A 5 0.440 9.699 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.509 10.392 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.725 11.450 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.323 10.308 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.961 10.850 6.445 1.00 0.00 H new ATOM 65 N CYS A 6 2.441 8.988 1.545 1.00 0.00 N ATOM 66 CA CYS A 6 3.559 8.486 0.754 1.00 0.00 C ATOM 67 C CYS A 6 3.780 9.347 -0.484 1.00 0.00 C ATOM 68 O CYS A 6 2.865 10.024 -0.954 1.00 0.00 O ATOM 69 CB CYS A 6 3.309 7.037 0.336 1.00 0.00 C ATOM 70 SG CYS A 6 4.698 6.270 -0.558 1.00 0.00 S ATOM 0 H CYS A 6 1.727 9.476 1.004 1.00 0.00 H new ATOM 0 HA CYS A 6 4.454 8.530 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.093 6.446 1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.421 7.000 -0.295 1.00 0.00 H new ATOM 75 N ASP A 7 5.000 9.315 -1.008 1.00 0.00 N ATOM 76 CA ASP A 7 5.341 10.091 -2.193 1.00 0.00 C ATOM 77 C ASP A 7 5.840 9.187 -3.317 1.00 0.00 C ATOM 78 O ASP A 7 5.819 9.569 -4.487 1.00 0.00 O ATOM 79 CB ASP A 7 6.405 11.136 -1.854 1.00 0.00 C ATOM 80 CG ASP A 7 5.827 12.334 -1.126 1.00 0.00 C ATOM 81 OD1 ASP A 7 4.897 12.144 -0.315 1.00 0.00 O ATOM 82 OD2 ASP A 7 6.304 13.463 -1.369 1.00 0.00 O ATOM 0 H ASP A 7 5.768 8.760 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 7 4.438 10.597 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.177 10.677 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.888 11.470 -2.772 1.00 0.00 H new ATOM 87 N CYS A 8 6.293 7.989 -2.958 1.00 0.00 N ATOM 88 CA CYS A 8 6.801 7.040 -3.940 1.00 0.00 C ATOM 89 C CYS A 8 5.698 6.135 -4.481 1.00 0.00 C ATOM 90 O CYS A 8 5.976 5.207 -5.243 1.00 0.00 O ATOM 91 CB CYS A 8 7.857 6.148 -3.326 1.00 0.00 C ATOM 92 SG CYS A 8 9.418 6.947 -2.845 1.00 0.00 S ATOM 0 H CYS A 8 6.318 7.654 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 8 7.219 7.635 -4.752 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.430 5.674 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.086 5.353 -4.035 1.00 0.00 H new ATOM 97 N GLY A 9 4.463 6.372 -4.054 1.00 0.00 N ATOM 98 CA GLY A 9 3.357 5.549 -4.492 1.00 0.00 C ATOM 99 C GLY A 9 3.010 4.502 -3.466 1.00 0.00 C ATOM 100 O GLY A 9 3.479 4.567 -2.330 1.00 0.00 O ATOM 0 H GLY A 9 4.210 7.122 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.487 6.177 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.612 5.066 -5.435 1.00 0.00 H new ATOM 104 N SER A 10 2.195 3.532 -3.848 1.00 0.00 N ATOM 105 CA SER A 10 1.822 2.491 -2.914 1.00 0.00 C ATOM 106 C SER A 10 1.464 1.181 -3.613 1.00 0.00 C ATOM 107 O SER A 10 2.282 0.262 -3.663 1.00 0.00 O ATOM 108 CB SER A 10 0.694 2.974 -2.004 1.00 0.00 C ATOM 109 OG SER A 10 1.207 3.774 -0.954 1.00 0.00 O ATOM 0 H SER A 10 1.788 3.446 -4.779 1.00 0.00 H new ATOM 0 HA SER A 10 2.693 2.275 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.029 3.547 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.162 2.118 -1.589 1.00 0.00 H new ATOM 0 HG SER A 10 2.113 4.071 -1.182 1.00 0.00 H new ATOM 115 N PRO A 11 0.249 1.062 -4.160 1.00 0.00 N ATOM 116 CA PRO A 11 -0.178 -0.158 -4.843 1.00 0.00 C ATOM 117 C PRO A 11 0.493 -0.306 -6.201 1.00 0.00 C ATOM 118 O PRO A 11 0.078 0.308 -7.184 1.00 0.00 O ATOM 119 CB PRO A 11 -1.682 0.039 -4.987 1.00 0.00 C ATOM 120 CG PRO A 11 -1.856 1.516 -5.061 1.00 0.00 C ATOM 121 CD PRO A 11 -0.798 2.094 -4.162 1.00 0.00 C ATOM 0 HA PRO A 11 0.088 -1.065 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.063 -0.451 -5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.221 -0.383 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.739 1.874 -6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.853 1.810 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.424 3.045 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.181 2.280 -3.159 1.00 0.00 H new ATOM 129 N GLY A 12 1.553 -1.103 -6.236 1.00 0.00 N ATOM 130 CA GLY A 12 2.297 -1.297 -7.464 1.00 0.00 C ATOM 131 C GLY A 12 3.601 -0.536 -7.418 1.00 0.00 C ATOM 132 O GLY A 12 4.587 -0.915 -8.049 1.00 0.00 O ATOM 0 H GLY A 12 1.911 -1.620 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.494 -2.359 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.702 -0.961 -8.313 1.00 0.00 H new ATOM 136 N ASN A 13 3.596 0.536 -6.634 1.00 0.00 N ATOM 137 CA ASN A 13 4.770 1.372 -6.446 1.00 0.00 C ATOM 138 C ASN A 13 5.110 1.432 -4.962 1.00 0.00 C ATOM 139 O ASN A 13 5.162 2.505 -4.362 1.00 0.00 O ATOM 140 CB ASN A 13 4.521 2.781 -6.989 1.00 0.00 C ATOM 141 CG ASN A 13 4.280 2.789 -8.486 1.00 0.00 C ATOM 142 OD1 ASN A 13 3.816 1.803 -9.057 1.00 0.00 O ATOM 143 ND2 ASN A 13 4.595 3.907 -9.129 1.00 0.00 N ATOM 0 H ASN A 13 2.777 0.848 -6.112 1.00 0.00 H new ATOM 0 HA ASN A 13 5.607 0.941 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.659 3.216 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.378 3.413 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.455 3.972 -10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.977 4.701 -8.615 1.00 0.00 H new ATOM 150 N PRO A 14 5.344 0.258 -4.357 1.00 0.00 N ATOM 151 CA PRO A 14 5.679 0.111 -2.950 1.00 0.00 C ATOM 152 C PRO A 14 6.420 1.309 -2.376 1.00 0.00 C ATOM 153 O PRO A 14 7.650 1.313 -2.342 1.00 0.00 O ATOM 154 CB PRO A 14 6.581 -1.139 -2.948 1.00 0.00 C ATOM 155 CG PRO A 14 6.494 -1.713 -4.339 1.00 0.00 C ATOM 156 CD PRO A 14 5.313 -1.052 -4.991 1.00 0.00 C ATOM 0 HA PRO A 14 4.789 0.029 -2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.609 -0.878 -2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.245 -1.862 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.408 -1.517 -4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.366 -2.795 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.421 -0.989 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.382 -1.584 -4.794 1.00 0.00 H new ATOM 164 N CYS A 15 5.653 2.305 -1.905 1.00 0.00 N ATOM 165 CA CYS A 15 6.203 3.523 -1.298 1.00 0.00 C ATOM 166 C CYS A 15 7.706 3.628 -1.496 1.00 0.00 C ATOM 167 O CYS A 15 8.455 3.708 -0.526 1.00 0.00 O ATOM 168 CB CYS A 15 5.878 3.567 0.201 1.00 0.00 C ATOM 169 SG CYS A 15 5.694 5.248 0.885 1.00 0.00 S ATOM 0 H CYS A 15 4.634 2.286 -1.935 1.00 0.00 H new ATOM 0 HA CYS A 15 5.737 4.371 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.955 3.014 0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.668 3.051 0.747 1.00 0.00 H new ATOM 174 N CYS A 16 8.117 3.644 -2.768 1.00 0.00 N ATOM 175 CA CYS A 16 9.526 3.756 -3.159 1.00 0.00 C ATOM 176 C CYS A 16 10.031 2.463 -3.787 1.00 0.00 C ATOM 177 O CYS A 16 9.875 1.378 -3.226 1.00 0.00 O ATOM 178 CB CYS A 16 10.427 4.170 -1.990 1.00 0.00 C ATOM 179 SG CYS A 16 10.046 5.812 -1.274 1.00 0.00 S ATOM 0 H CYS A 16 7.478 3.579 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 16 9.576 4.549 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.348 3.419 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 16 11.463 4.168 -2.329 1.00 0.00 H new ATOM 184 N ASP A 17 10.630 2.598 -4.967 1.00 0.00 N ATOM 185 CA ASP A 17 11.162 1.453 -5.704 1.00 0.00 C ATOM 186 C ASP A 17 12.276 1.873 -6.667 1.00 0.00 C ATOM 187 O ASP A 17 13.199 1.100 -6.933 1.00 0.00 O ATOM 188 CB ASP A 17 10.042 0.755 -6.478 1.00 0.00 C ATOM 189 CG ASP A 17 9.209 1.727 -7.291 1.00 0.00 C ATOM 190 OD1 ASP A 17 9.278 2.943 -7.015 1.00 0.00 O ATOM 191 OD2 ASP A 17 8.488 1.271 -8.203 1.00 0.00 O ATOM 0 H ASP A 17 10.760 3.494 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 17 11.587 0.760 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.475 0.007 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.396 0.224 -5.778 1.00 0.00 H new ATOM 196 N ALA A 18 12.179 3.092 -7.206 1.00 0.00 N ATOM 197 CA ALA A 18 13.176 3.603 -8.143 1.00 0.00 C ATOM 198 C ALA A 18 12.900 3.122 -9.562 1.00 0.00 C ATOM 199 O ALA A 18 13.084 3.860 -10.530 1.00 0.00 O ATOM 200 CB ALA A 18 14.572 3.187 -7.705 1.00 0.00 C ATOM 0 H ALA A 18 11.418 3.742 -7.007 1.00 0.00 H new ATOM 0 HA ALA A 18 13.113 4.691 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.306 3.574 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.777 3.589 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.635 2.099 -7.676 1.00 0.00 H new ATOM 206 N ALA A 19 12.460 1.878 -9.672 1.00 0.00 N ATOM 207 CA ALA A 19 12.156 1.277 -10.958 1.00 0.00 C ATOM 208 C ALA A 19 11.459 -0.066 -10.770 1.00 0.00 C ATOM 209 O ALA A 19 10.610 -0.454 -11.573 1.00 0.00 O ATOM 210 CB ALA A 19 13.428 1.109 -11.769 1.00 0.00 C ATOM 0 H ALA A 19 12.305 1.260 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 19 11.481 1.938 -11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.189 0.657 -12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.888 2.084 -11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.122 0.465 -11.229 1.00 0.00 H new ATOM 216 N THR A 20 11.819 -0.770 -9.698 1.00 0.00 N ATOM 217 CA THR A 20 11.224 -2.065 -9.402 1.00 0.00 C ATOM 218 C THR A 20 10.986 -2.207 -7.905 1.00 0.00 C ATOM 219 O THR A 20 11.843 -1.849 -7.096 1.00 0.00 O ATOM 220 CB THR A 20 12.128 -3.194 -9.899 1.00 0.00 C ATOM 221 OG1 THR A 20 12.164 -4.256 -8.963 1.00 0.00 O ATOM 222 CG2 THR A 20 13.554 -2.753 -10.149 1.00 0.00 C ATOM 0 H THR A 20 12.519 -0.463 -9.023 1.00 0.00 H new ATOM 0 HA THR A 20 10.266 -2.131 -9.918 1.00 0.00 H new ATOM 0 HB THR A 20 11.694 -3.516 -10.845 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.746 -4.969 -9.299 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.141 -3.602 -10.500 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.565 -1.967 -10.905 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.985 -2.372 -9.223 1.00 0.00 H new ATOM 230 N CYS A 21 9.817 -2.724 -7.542 1.00 0.00 N ATOM 231 CA CYS A 21 9.463 -2.906 -6.141 1.00 0.00 C ATOM 232 C CYS A 21 10.694 -3.262 -5.308 1.00 0.00 C ATOM 233 O CYS A 21 11.077 -4.428 -5.213 1.00 0.00 O ATOM 234 CB CYS A 21 8.394 -3.995 -6.005 1.00 0.00 C ATOM 235 SG CYS A 21 6.855 -3.639 -6.916 1.00 0.00 S ATOM 0 H CYS A 21 9.098 -3.024 -8.200 1.00 0.00 H new ATOM 0 HA CYS A 21 9.060 -1.966 -5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.805 -4.940 -6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.157 -4.128 -4.949 1.00 0.00 H new ATOM 240 N LYS A 22 11.307 -2.244 -4.706 1.00 0.00 N ATOM 241 CA LYS A 22 12.494 -2.443 -3.879 1.00 0.00 C ATOM 242 C LYS A 22 12.854 -1.167 -3.120 1.00 0.00 C ATOM 243 O LYS A 22 13.301 -0.186 -3.714 1.00 0.00 O ATOM 244 CB LYS A 22 13.676 -2.884 -4.744 1.00 0.00 C ATOM 245 CG LYS A 22 14.853 -3.411 -3.939 1.00 0.00 C ATOM 246 CD LYS A 22 16.037 -3.739 -4.833 1.00 0.00 C ATOM 247 CE LYS A 22 16.638 -2.483 -5.444 1.00 0.00 C ATOM 248 NZ LYS A 22 17.758 -1.946 -4.622 1.00 0.00 N ATOM 0 H LYS A 22 11.001 -1.274 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 22 12.270 -3.224 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.342 -3.659 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.008 -2.040 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.150 -2.669 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.550 -4.304 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.797 -4.263 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.719 -4.415 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.999 -2.705 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.864 -1.722 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.140 -1.090 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.409 -1.710 -3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.508 -2.662 -4.547 1.00 0.00 H new ATOM 262 N LEU A 23 12.662 -1.188 -1.802 1.00 0.00 N ATOM 263 CA LEU A 23 12.974 -0.032 -0.967 1.00 0.00 C ATOM 264 C LEU A 23 13.378 -0.460 0.439 1.00 0.00 C ATOM 265 O LEU A 23 12.866 -1.445 0.972 1.00 0.00 O ATOM 266 CB LEU A 23 11.778 0.919 -0.895 1.00 0.00 C ATOM 267 CG LEU A 23 10.547 0.377 -0.166 1.00 0.00 C ATOM 268 CD1 LEU A 23 9.580 1.507 0.141 1.00 0.00 C ATOM 269 CD2 LEU A 23 9.866 -0.699 -0.997 1.00 0.00 C ATOM 0 H LEU A 23 12.293 -1.991 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 23 13.816 0.488 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.096 1.837 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.488 1.187 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 23 10.868 -0.071 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.708 1.109 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.073 2.246 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.264 1.979 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.993 -1.073 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.554 -0.278 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.563 -1.519 -1.172 1.00 0.00 H new ATOM 281 N ARG A 24 14.297 0.292 1.035 1.00 0.00 N ATOM 282 CA ARG A 24 14.769 -0.002 2.382 1.00 0.00 C ATOM 283 C ARG A 24 13.899 0.691 3.426 1.00 0.00 C ATOM 284 O ARG A 24 14.056 0.467 4.626 1.00 0.00 O ATOM 285 CB ARG A 24 16.226 0.435 2.542 1.00 0.00 C ATOM 286 CG ARG A 24 17.190 -0.321 1.643 1.00 0.00 C ATOM 287 CD ARG A 24 18.153 0.622 0.940 1.00 0.00 C ATOM 288 NE ARG A 24 18.756 1.577 1.866 1.00 0.00 N ATOM 289 CZ ARG A 24 19.659 1.245 2.782 1.00 0.00 C ATOM 290 NH1 ARG A 24 20.062 -0.014 2.893 1.00 0.00 N ATOM 291 NH2 ARG A 24 20.160 2.170 3.588 1.00 0.00 N ATOM 0 H ARG A 24 14.730 1.110 0.606 1.00 0.00 H new ATOM 0 HA ARG A 24 14.702 -1.079 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.302 1.501 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.526 0.296 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.753 -1.042 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.628 -0.888 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.938 0.043 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.624 1.162 0.155 1.00 0.00 H new ATOM 0 HE ARG A 24 18.468 2.554 1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.678 -0.729 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.755 -0.267 3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.852 3.139 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.853 1.913 4.291 1.00 0.00 H new ATOM 305 N GLN A 25 12.977 1.529 2.961 1.00 0.00 N ATOM 306 CA GLN A 25 12.079 2.249 3.857 1.00 0.00 C ATOM 307 C GLN A 25 10.871 1.390 4.209 1.00 0.00 C ATOM 308 O GLN A 25 10.150 1.670 5.167 1.00 0.00 O ATOM 309 CB GLN A 25 11.622 3.560 3.216 1.00 0.00 C ATOM 310 CG GLN A 25 10.429 4.194 3.914 1.00 0.00 C ATOM 311 CD GLN A 25 10.022 5.514 3.290 1.00 0.00 C ATOM 312 OE1 GLN A 25 8.879 5.688 2.868 1.00 0.00 O ATOM 313 NE2 GLN A 25 10.959 6.454 3.228 1.00 0.00 N ATOM 0 H GLN A 25 12.833 1.726 1.971 1.00 0.00 H new ATOM 0 HA GLN A 25 12.623 2.478 4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 25 12.452 4.266 3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.366 3.375 2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.585 3.505 3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.670 4.352 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.894 6.267 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.743 7.363 2.818 1.00 0.00 H new ATOM 322 N GLY A 26 10.666 0.339 3.429 1.00 0.00 N ATOM 323 CA GLY A 26 9.555 -0.563 3.663 1.00 0.00 C ATOM 324 C GLY A 26 8.204 0.083 3.423 1.00 0.00 C ATOM 325 O GLY A 26 7.619 0.677 4.329 1.00 0.00 O ATOM 0 H GLY A 26 11.253 0.093 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.657 -1.432 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.600 -0.927 4.690 1.00 0.00 H new ATOM 329 N ALA A 27 7.708 -0.041 2.197 1.00 0.00 N ATOM 330 CA ALA A 27 6.422 0.521 1.820 1.00 0.00 C ATOM 331 C ALA A 27 5.270 -0.425 2.174 1.00 0.00 C ATOM 332 O ALA A 27 4.289 -0.518 1.436 1.00 0.00 O ATOM 333 CB ALA A 27 6.423 0.816 0.329 1.00 0.00 C ATOM 0 H ALA A 27 8.186 -0.532 1.441 1.00 0.00 H new ATOM 0 HA ALA A 27 6.270 1.444 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.460 1.238 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.215 1.529 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.595 -0.107 -0.224 1.00 0.00 H new ATOM 339 N GLN A 28 5.394 -1.129 3.298 1.00 0.00 N ATOM 340 CA GLN A 28 4.362 -2.072 3.733 1.00 0.00 C ATOM 341 C GLN A 28 3.039 -1.371 4.011 1.00 0.00 C ATOM 342 O GLN A 28 2.853 -0.772 5.070 1.00 0.00 O ATOM 343 CB GLN A 28 4.802 -2.812 4.991 1.00 0.00 C ATOM 344 CG GLN A 28 6.296 -3.030 5.074 1.00 0.00 C ATOM 345 CD GLN A 28 6.996 -1.990 5.929 1.00 0.00 C ATOM 346 OE1 GLN A 28 8.062 -2.246 6.488 1.00 0.00 O ATOM 347 NE2 GLN A 28 6.398 -0.809 6.036 1.00 0.00 N ATOM 0 H GLN A 28 6.197 -1.065 3.924 1.00 0.00 H new ATOM 0 HA GLN A 28 4.219 -2.782 2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.476 -2.249 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.300 -3.779 5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.492 -4.021 5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.718 -3.011 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.514 -0.639 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.822 -0.072 6.599 1.00 0.00 H new ATOM 356 N CYS A 29 2.123 -1.451 3.057 1.00 0.00 N ATOM 357 CA CYS A 29 0.818 -0.824 3.206 1.00 0.00 C ATOM 358 C CYS A 29 0.997 0.645 3.550 1.00 0.00 C ATOM 359 O CYS A 29 0.303 1.187 4.410 1.00 0.00 O ATOM 360 CB CYS A 29 -0.001 -1.521 4.301 1.00 0.00 C ATOM 361 SG CYS A 29 -0.622 -3.178 3.846 1.00 0.00 S ATOM 0 H CYS A 29 2.259 -1.943 2.174 1.00 0.00 H new ATOM 0 HA CYS A 29 0.277 -0.916 2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.615 -1.611 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.849 -0.888 4.561 1.00 0.00 H new ATOM 366 N ALA A 30 1.941 1.281 2.868 1.00 0.00 N ATOM 367 CA ALA A 30 2.225 2.695 3.098 1.00 0.00 C ATOM 368 C ALA A 30 0.988 3.530 2.788 1.00 0.00 C ATOM 369 O ALA A 30 -0.130 3.098 3.072 1.00 0.00 O ATOM 370 CB ALA A 30 3.410 3.143 2.255 1.00 0.00 C ATOM 0 H ALA A 30 2.522 0.843 2.153 1.00 0.00 H new ATOM 0 HA ALA A 30 2.485 2.839 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.608 4.199 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.289 2.557 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.182 2.994 1.199 1.00 0.00 H new ATOM 376 N GLU A 31 1.167 4.705 2.171 1.00 0.00 N ATOM 377 CA GLU A 31 0.019 5.532 1.802 1.00 0.00 C ATOM 378 C GLU A 31 -1.053 4.620 1.244 1.00 0.00 C ATOM 379 O GLU A 31 -2.249 4.858 1.394 1.00 0.00 O ATOM 380 CB GLU A 31 0.413 6.583 0.763 1.00 0.00 C ATOM 381 CG GLU A 31 -0.753 7.435 0.287 1.00 0.00 C ATOM 382 CD GLU A 31 -0.563 7.944 -1.128 1.00 0.00 C ATOM 383 OE1 GLU A 31 0.283 7.380 -1.853 1.00 0.00 O ATOM 384 OE2 GLU A 31 -1.261 8.906 -1.511 1.00 0.00 O ATOM 0 H GLU A 31 2.076 5.095 1.923 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.350 6.062 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.178 7.233 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.861 6.083 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.671 6.849 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.878 8.283 0.961 1.00 0.00 H new ATOM 391 N GLY A 32 -0.575 3.548 0.632 1.00 0.00 N ATOM 392 CA GLY A 32 -1.428 2.538 0.072 1.00 0.00 C ATOM 393 C GLY A 32 -0.829 1.174 0.292 1.00 0.00 C ATOM 394 O GLY A 32 -0.366 0.871 1.389 1.00 0.00 O ATOM 0 H GLY A 32 0.421 3.363 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.415 2.589 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.564 2.716 -0.995 1.00 0.00 H new ATOM 398 N LEU A 33 -0.823 0.351 -0.737 1.00 0.00 N ATOM 399 CA LEU A 33 -0.254 -0.982 -0.612 1.00 0.00 C ATOM 400 C LEU A 33 1.214 -1.012 -1.066 1.00 0.00 C ATOM 401 O LEU A 33 1.791 0.021 -1.393 1.00 0.00 O ATOM 402 CB LEU A 33 -1.084 -1.980 -1.423 1.00 0.00 C ATOM 403 CG LEU A 33 -1.204 -3.390 -0.837 1.00 0.00 C ATOM 404 CD1 LEU A 33 -0.375 -4.366 -1.651 1.00 0.00 C ATOM 405 CD2 LEU A 33 -0.784 -3.421 0.629 1.00 0.00 C ATOM 0 H LEU A 33 -1.199 0.574 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.279 -1.265 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.088 -1.573 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.649 -2.058 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.251 -3.689 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.468 -5.365 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.732 -4.376 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.671 -4.059 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.881 -4.436 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.253 -3.097 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.423 -2.752 1.205 1.00 0.00 H new ATOM 417 N CYS A 34 1.807 -2.209 -1.086 1.00 0.00 N ATOM 418 CA CYS A 34 3.195 -2.391 -1.511 1.00 0.00 C ATOM 419 C CYS A 34 3.317 -3.657 -2.341 1.00 0.00 C ATOM 420 O CYS A 34 2.441 -4.518 -2.317 1.00 0.00 O ATOM 421 CB CYS A 34 4.155 -2.449 -0.300 1.00 0.00 C ATOM 422 SG CYS A 34 5.277 -3.903 -0.237 1.00 0.00 S ATOM 0 H CYS A 34 1.341 -3.073 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 34 3.480 -1.531 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.763 -1.544 -0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.559 -2.434 0.613 1.00 0.00 H new ATOM 427 N CYS A 35 4.416 -3.766 -3.062 1.00 0.00 N ATOM 428 CA CYS A 35 4.665 -4.934 -3.886 1.00 0.00 C ATOM 429 C CYS A 35 6.084 -5.460 -3.666 1.00 0.00 C ATOM 430 O CYS A 35 6.471 -6.484 -4.230 1.00 0.00 O ATOM 431 CB CYS A 35 4.420 -4.599 -5.369 1.00 0.00 C ATOM 432 SG CYS A 35 5.670 -5.245 -6.537 1.00 0.00 S ATOM 0 H CYS A 35 5.151 -3.060 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 35 3.971 -5.722 -3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.444 -4.990 -5.656 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.373 -3.515 -5.476 1.00 0.00 H new ATOM 437 N ASP A 36 6.853 -4.753 -2.847 1.00 0.00 N ATOM 438 CA ASP A 36 8.221 -5.143 -2.557 1.00 0.00 C ATOM 439 C ASP A 36 8.309 -5.850 -1.211 1.00 0.00 C ATOM 440 O ASP A 36 7.357 -5.845 -0.426 1.00 0.00 O ATOM 441 CB ASP A 36 9.122 -3.905 -2.557 1.00 0.00 C ATOM 442 CG ASP A 36 10.508 -4.188 -2.014 1.00 0.00 C ATOM 443 OD1 ASP A 36 11.244 -4.974 -2.648 1.00 0.00 O ATOM 444 OD2 ASP A 36 10.858 -3.627 -0.955 1.00 0.00 O ATOM 0 H ASP A 36 6.548 -3.904 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 36 8.555 -5.835 -3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.206 -3.523 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.656 -3.122 -1.960 1.00 0.00 H new ATOM 449 N GLN A 37 9.462 -6.451 -0.944 1.00 0.00 N ATOM 450 CA GLN A 37 9.683 -7.152 0.309 1.00 0.00 C ATOM 451 C GLN A 37 9.074 -6.393 1.487 1.00 0.00 C ATOM 452 O GLN A 37 8.788 -6.997 2.519 1.00 0.00 O ATOM 453 CB GLN A 37 11.181 -7.357 0.543 1.00 0.00 C ATOM 454 CG GLN A 37 11.836 -8.280 -0.471 1.00 0.00 C ATOM 455 CD GLN A 37 13.145 -8.860 0.028 1.00 0.00 C ATOM 456 OE1 GLN A 37 13.158 -9.780 0.846 1.00 0.00 O ATOM 457 NE2 GLN A 37 14.256 -8.324 -0.464 1.00 0.00 N ATOM 0 H GLN A 37 10.258 -6.465 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 37 9.191 -8.122 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.680 -6.388 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.331 -7.765 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.151 -9.093 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.015 -7.730 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.199 -7.563 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.167 -8.674 -0.166 1.00 0.00 H new ATOM 466 N CYS A 38 8.895 -5.069 1.331 1.00 0.00 N ATOM 467 CA CYS A 38 8.333 -4.223 2.391 1.00 0.00 C ATOM 468 C CYS A 38 7.583 -5.042 3.430 1.00 0.00 C ATOM 469 O CYS A 38 7.959 -5.054 4.599 1.00 0.00 O ATOM 470 CB CYS A 38 7.384 -3.145 1.829 1.00 0.00 C ATOM 471 SG CYS A 38 7.150 -3.153 0.020 1.00 0.00 S ATOM 0 H CYS A 38 9.133 -4.564 0.477 1.00 0.00 H new ATOM 0 HA CYS A 38 9.185 -3.735 2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.409 -3.264 2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.763 -2.166 2.122 1.00 0.00 H new ATOM 476 N ARG A 39 6.521 -5.708 2.976 1.00 0.00 N ATOM 477 CA ARG A 39 5.659 -6.535 3.827 1.00 0.00 C ATOM 478 C ARG A 39 4.299 -5.866 3.963 1.00 0.00 C ATOM 479 O ARG A 39 4.018 -4.889 3.268 1.00 0.00 O ATOM 480 CB ARG A 39 6.261 -6.785 5.216 1.00 0.00 C ATOM 481 CG ARG A 39 7.586 -7.530 5.184 1.00 0.00 C ATOM 482 CD ARG A 39 7.545 -8.773 6.058 1.00 0.00 C ATOM 483 NE ARG A 39 6.748 -8.569 7.264 1.00 0.00 N ATOM 484 CZ ARG A 39 6.182 -9.558 7.949 1.00 0.00 C ATOM 485 NH1 ARG A 39 6.327 -10.813 7.547 1.00 0.00 N ATOM 486 NH2 ARG A 39 5.472 -9.292 9.037 1.00 0.00 N ATOM 0 H ARG A 39 6.231 -5.690 1.998 1.00 0.00 H new ATOM 0 HA ARG A 39 5.559 -7.509 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.405 -5.828 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.549 -7.354 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.822 -7.813 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.384 -6.870 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.131 -9.604 5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.561 -9.053 6.338 1.00 0.00 H new ATOM 0 HE ARG A 39 6.618 -7.615 7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.873 -11.021 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.892 -11.571 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.359 -8.328 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.038 -10.052 9.561 1.00 0.00 H new ATOM 500 N PHE A 40 3.446 -6.393 4.836 1.00 0.00 N ATOM 501 CA PHE A 40 2.111 -5.826 5.012 1.00 0.00 C ATOM 502 C PHE A 40 1.499 -6.223 6.351 1.00 0.00 C ATOM 503 O PHE A 40 1.663 -7.350 6.818 1.00 0.00 O ATOM 504 CB PHE A 40 1.222 -6.267 3.848 1.00 0.00 C ATOM 505 CG PHE A 40 1.958 -6.227 2.544 1.00 0.00 C ATOM 506 CD1 PHE A 40 2.729 -7.305 2.139 1.00 0.00 C ATOM 507 CD2 PHE A 40 1.930 -5.093 1.750 1.00 0.00 C ATOM 508 CE1 PHE A 40 3.454 -7.253 0.973 1.00 0.00 C ATOM 509 CE2 PHE A 40 2.645 -5.041 0.579 1.00 0.00 C ATOM 510 CZ PHE A 40 3.412 -6.122 0.191 1.00 0.00 C ATOM 0 H PHE A 40 3.650 -7.200 5.425 1.00 0.00 H new ATOM 0 HA PHE A 40 2.191 -4.739 5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.859 -7.278 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.347 -5.619 3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.760 -8.197 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.340 -4.241 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.055 -8.098 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.608 -4.156 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.979 -6.079 -0.727 1.00 0.00 H new ATOM 520 N MET A 41 0.802 -5.272 6.966 1.00 0.00 N ATOM 521 CA MET A 41 0.166 -5.486 8.261 1.00 0.00 C ATOM 522 C MET A 41 -0.541 -6.837 8.333 1.00 0.00 C ATOM 523 O MET A 41 0.007 -7.794 8.879 1.00 0.00 O ATOM 524 CB MET A 41 -0.828 -4.360 8.553 1.00 0.00 C ATOM 525 CG MET A 41 -0.537 -3.614 9.846 1.00 0.00 C ATOM 526 SD MET A 41 0.691 -2.310 9.637 1.00 0.00 S ATOM 527 CE MET A 41 0.535 -1.446 11.198 1.00 0.00 C ATOM 0 H MET A 41 0.663 -4.337 6.583 1.00 0.00 H new ATOM 0 HA MET A 41 0.952 -5.483 9.016 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.817 -3.652 7.724 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.834 -4.778 8.602 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.462 -3.179 10.225 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.186 -4.321 10.597 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.233 -0.609 11.222 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.483 -1.073 11.307 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.760 -2.130 12.016 1.00 0.00 H new ATOM 537 N LYS A 42 -1.764 -6.888 7.788 1.00 0.00 N ATOM 538 CA LYS A 42 -2.596 -8.097 7.782 1.00 0.00 C ATOM 539 C LYS A 42 -3.994 -7.773 8.295 1.00 0.00 C ATOM 540 O LYS A 42 -4.920 -8.572 8.157 1.00 0.00 O ATOM 541 CB LYS A 42 -1.989 -9.216 8.632 1.00 0.00 C ATOM 542 CG LYS A 42 -2.876 -10.445 8.742 1.00 0.00 C ATOM 543 CD LYS A 42 -3.118 -11.079 7.382 1.00 0.00 C ATOM 544 CE LYS A 42 -2.485 -12.458 7.290 1.00 0.00 C ATOM 545 NZ LYS A 42 -1.009 -12.405 7.482 1.00 0.00 N ATOM 0 H LYS A 42 -2.205 -6.087 7.337 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.649 -8.448 6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.030 -9.507 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.788 -8.833 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.411 -11.173 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.830 -10.168 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.190 -11.157 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.709 -10.437 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.926 -13.111 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.709 -12.896 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.585 -13.301 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.614 -11.620 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.795 -12.257 8.489 1.00 0.00 H new ATOM 559 N GLU A 43 -4.135 -6.592 8.887 1.00 0.00 N ATOM 560 CA GLU A 43 -5.415 -6.148 9.425 1.00 0.00 C ATOM 561 C GLU A 43 -5.743 -4.738 8.943 1.00 0.00 C ATOM 562 O GLU A 43 -4.937 -3.822 9.104 1.00 0.00 O ATOM 563 CB GLU A 43 -5.389 -6.185 10.954 1.00 0.00 C ATOM 564 CG GLU A 43 -6.683 -5.712 11.596 1.00 0.00 C ATOM 565 CD GLU A 43 -6.868 -4.211 11.498 1.00 0.00 C ATOM 566 OE1 GLU A 43 -6.093 -3.474 12.142 1.00 0.00 O ATOM 567 OE2 GLU A 43 -7.789 -3.772 10.778 1.00 0.00 O ATOM 0 H GLU A 43 -3.375 -5.923 9.007 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.190 -6.826 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.182 -7.204 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.568 -5.563 11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.525 -6.210 11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.693 -6.008 12.645 1.00 0.00 H new ATOM 574 N GLY A 44 -6.932 -4.590 8.355 1.00 0.00 N ATOM 575 CA GLY A 44 -7.398 -3.310 7.838 1.00 0.00 C ATOM 576 C GLY A 44 -6.419 -2.172 8.002 1.00 0.00 C ATOM 577 O GLY A 44 -6.650 -1.256 8.792 1.00 0.00 O ATOM 0 H GLY A 44 -7.595 -5.355 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.629 -3.423 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.328 -3.047 8.341 1.00 0.00 H new ATOM 581 N THR A 45 -5.330 -2.212 7.245 1.00 0.00 N ATOM 582 CA THR A 45 -4.337 -1.154 7.314 1.00 0.00 C ATOM 583 C THR A 45 -4.577 -0.135 6.211 1.00 0.00 C ATOM 584 O THR A 45 -5.032 0.980 6.465 1.00 0.00 O ATOM 585 CB THR A 45 -2.931 -1.734 7.214 1.00 0.00 C ATOM 586 OG1 THR A 45 -2.888 -3.041 7.760 1.00 0.00 O ATOM 587 CG2 THR A 45 -1.895 -0.902 7.931 1.00 0.00 C ATOM 0 H THR A 45 -5.115 -2.958 6.584 1.00 0.00 H new ATOM 0 HA THR A 45 -4.430 -0.650 8.276 1.00 0.00 H new ATOM 0 HB THR A 45 -2.694 -1.745 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.516 -3.103 8.510 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.916 -1.368 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.870 0.099 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.150 -0.836 8.989 1.00 0.00 H new ATOM 595 N ILE A 46 -4.288 -0.539 4.988 1.00 0.00 N ATOM 596 CA ILE A 46 -4.485 0.314 3.827 1.00 0.00 C ATOM 597 C ILE A 46 -3.814 -0.276 2.574 1.00 0.00 C ATOM 598 O ILE A 46 -2.628 -0.069 2.318 1.00 0.00 O ATOM 599 CB ILE A 46 -4.012 1.773 4.113 1.00 0.00 C ATOM 600 CG1 ILE A 46 -5.196 2.736 3.990 1.00 0.00 C ATOM 601 CG2 ILE A 46 -2.879 2.222 3.196 1.00 0.00 C ATOM 602 CD1 ILE A 46 -5.782 3.151 5.322 1.00 0.00 C ATOM 0 H ILE A 46 -3.912 -1.462 4.770 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.555 0.357 3.622 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.620 1.787 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.874 3.627 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.975 2.265 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.594 3.245 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.021 1.564 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.212 2.179 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.616 3.833 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.136 2.268 5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.017 3.651 5.916 1.00 0.00 H new ATOM 614 N CYS A 47 -4.600 -1.010 1.788 1.00 0.00 N ATOM 615 CA CYS A 47 -4.114 -1.611 0.549 1.00 0.00 C ATOM 616 C CYS A 47 -4.439 -0.687 -0.624 1.00 0.00 C ATOM 617 O CYS A 47 -4.361 -1.083 -1.787 1.00 0.00 O ATOM 618 CB CYS A 47 -4.725 -3.000 0.361 1.00 0.00 C ATOM 619 SG CYS A 47 -6.130 -3.073 -0.783 1.00 0.00 S ATOM 0 H CYS A 47 -5.581 -1.203 1.990 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.032 -1.734 0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.949 -3.676 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.048 -3.373 1.333 1.00 0.00 H new ATOM 624 N ARG A 48 -4.818 0.550 -0.276 1.00 0.00 N ATOM 625 CA ARG A 48 -5.187 1.592 -1.235 1.00 0.00 C ATOM 626 C ARG A 48 -4.898 1.209 -2.679 1.00 0.00 C ATOM 627 O ARG A 48 -3.773 0.850 -3.029 1.00 0.00 O ATOM 628 CB ARG A 48 -4.469 2.890 -0.874 1.00 0.00 C ATOM 629 CG ARG A 48 -4.750 3.345 0.549 1.00 0.00 C ATOM 630 CD ARG A 48 -5.633 4.581 0.571 1.00 0.00 C ATOM 631 NE ARG A 48 -4.951 5.745 0.012 1.00 0.00 N ATOM 632 CZ ARG A 48 -4.274 6.631 0.740 1.00 0.00 C ATOM 633 NH1 ARG A 48 -4.170 6.480 2.054 1.00 0.00 N ATOM 634 NH2 ARG A 48 -3.693 7.666 0.150 1.00 0.00 N ATOM 0 H ARG A 48 -4.877 0.856 0.695 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.267 1.726 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.395 2.753 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.774 3.673 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.235 2.540 1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.809 3.559 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.544 4.387 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.934 4.794 1.597 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.996 5.888 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.610 5.682 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.650 7.162 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.765 7.783 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.174 8.345 0.707 1.00 0.00 H new ATOM 648 N ARG A 49 -5.936 1.282 -3.514 1.00 0.00 N ATOM 649 CA ARG A 49 -5.809 0.936 -4.925 1.00 0.00 C ATOM 650 C ARG A 49 -5.481 2.154 -5.784 1.00 0.00 C ATOM 651 O ARG A 49 -5.063 2.011 -6.933 1.00 0.00 O ATOM 652 CB ARG A 49 -7.097 0.282 -5.427 1.00 0.00 C ATOM 653 CG ARG A 49 -8.236 1.267 -5.635 1.00 0.00 C ATOM 654 CD ARG A 49 -9.128 0.850 -6.793 1.00 0.00 C ATOM 655 NE ARG A 49 -9.562 -0.540 -6.676 1.00 0.00 N ATOM 656 CZ ARG A 49 -10.036 -1.251 -7.693 1.00 0.00 C ATOM 657 NH1 ARG A 49 -10.138 -0.704 -8.897 1.00 0.00 N ATOM 658 NH2 ARG A 49 -10.409 -2.510 -7.508 1.00 0.00 N ATOM 0 H ARG A 49 -6.872 1.578 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.982 0.232 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.893 -0.229 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.411 -0.479 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.830 1.336 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.829 2.260 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.002 1.501 -6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.590 0.984 -7.732 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.497 -0.990 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.852 0.264 -9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.502 -1.252 -9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.332 -2.934 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.773 -3.054 -8.290 1.00 0.00 H new ATOM 672 N ALA A 50 -5.674 3.348 -5.236 1.00 0.00 N ATOM 673 CA ALA A 50 -5.394 4.569 -5.983 1.00 0.00 C ATOM 674 C ALA A 50 -5.267 5.777 -5.063 1.00 0.00 C ATOM 675 O ALA A 50 -5.393 5.660 -3.844 1.00 0.00 O ATOM 676 CB ALA A 50 -6.478 4.809 -7.022 1.00 0.00 C ATOM 0 H ALA A 50 -6.019 3.497 -4.288 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.437 4.437 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.258 5.723 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.512 3.967 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.443 4.909 -6.525 1.00 0.00 H new ATOM 682 N ARG A 51 -5.014 6.940 -5.660 1.00 0.00 N ATOM 683 CA ARG A 51 -4.867 8.174 -4.898 1.00 0.00 C ATOM 684 C ARG A 51 -5.621 9.324 -5.561 1.00 0.00 C ATOM 685 O ARG A 51 -6.568 9.863 -4.988 1.00 0.00 O ATOM 686 CB ARG A 51 -3.387 8.535 -4.755 1.00 0.00 C ATOM 687 CG ARG A 51 -2.452 7.350 -4.928 1.00 0.00 C ATOM 688 CD ARG A 51 -1.843 7.320 -6.320 1.00 0.00 C ATOM 689 NE ARG A 51 -0.631 6.508 -6.369 1.00 0.00 N ATOM 690 CZ ARG A 51 0.346 6.696 -7.250 1.00 0.00 C ATOM 691 NH1 ARG A 51 0.251 7.663 -8.152 1.00 0.00 N ATOM 692 NH2 ARG A 51 1.419 5.916 -7.229 1.00 0.00 N ATOM 0 H ARG A 51 -4.907 7.052 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.294 8.010 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.135 9.297 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.223 8.976 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.658 7.400 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.999 6.424 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.573 6.925 -7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.611 8.337 -6.636 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.528 5.754 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.573 8.264 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.002 7.806 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.495 5.171 -6.536 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.168 6.061 -7.906 1.00 0.00 H new ATOM 706 N GLY A 52 -5.186 9.693 -6.766 1.00 0.00 N ATOM 707 CA GLY A 52 -5.815 10.781 -7.501 1.00 0.00 C ATOM 708 C GLY A 52 -7.276 10.980 -7.144 1.00 0.00 C ATOM 709 O GLY A 52 -7.595 11.607 -6.134 1.00 0.00 O ATOM 0 H GLY A 52 -4.403 9.254 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.271 11.705 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.733 10.583 -8.570 1.00 0.00 H new ATOM 713 N ASP A 53 -8.165 10.448 -7.975 1.00 0.00 N ATOM 714 CA ASP A 53 -9.598 10.572 -7.739 1.00 0.00 C ATOM 715 C ASP A 53 -10.205 9.221 -7.375 1.00 0.00 C ATOM 716 O ASP A 53 -11.169 8.775 -7.996 1.00 0.00 O ATOM 717 CB ASP A 53 -10.294 11.142 -8.978 1.00 0.00 C ATOM 718 CG ASP A 53 -9.984 12.611 -9.190 1.00 0.00 C ATOM 719 OD1 ASP A 53 -10.182 13.402 -8.244 1.00 0.00 O ATOM 720 OD2 ASP A 53 -9.543 12.970 -10.302 1.00 0.00 O ATOM 0 H ASP A 53 -7.919 9.927 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.747 11.255 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.984 10.577 -9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.372 11.011 -8.879 1.00 0.00 H new ATOM 725 N ASP A 54 -9.630 8.573 -6.366 1.00 0.00 N ATOM 726 CA ASP A 54 -10.114 7.270 -5.923 1.00 0.00 C ATOM 727 C ASP A 54 -9.898 7.085 -4.421 1.00 0.00 C ATOM 728 O ASP A 54 -10.664 7.604 -3.609 1.00 0.00 O ATOM 729 CB ASP A 54 -9.410 6.158 -6.699 1.00 0.00 C ATOM 730 CG ASP A 54 -10.005 5.946 -8.077 1.00 0.00 C ATOM 731 OD1 ASP A 54 -11.020 5.226 -8.181 1.00 0.00 O ATOM 732 OD2 ASP A 54 -9.457 6.500 -9.053 1.00 0.00 O ATOM 0 H ASP A 54 -8.831 8.928 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.185 7.219 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.352 6.401 -6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.472 5.229 -6.133 1.00 0.00 H new ATOM 737 N LEU A 55 -8.849 6.350 -4.055 1.00 0.00 N ATOM 738 CA LEU A 55 -8.537 6.109 -2.653 1.00 0.00 C ATOM 739 C LEU A 55 -9.599 5.242 -1.987 1.00 0.00 C ATOM 740 O LEU A 55 -10.601 5.741 -1.476 1.00 0.00 O ATOM 741 CB LEU A 55 -8.395 7.436 -1.917 1.00 0.00 C ATOM 742 CG LEU A 55 -7.228 8.294 -2.393 1.00 0.00 C ATOM 743 CD1 LEU A 55 -7.515 9.765 -2.152 1.00 0.00 C ATOM 744 CD2 LEU A 55 -5.945 7.868 -1.699 1.00 0.00 C ATOM 0 H LEU A 55 -8.203 5.913 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.592 5.569 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.319 8.003 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.274 7.237 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.101 8.148 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.671 10.362 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.413 10.055 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.668 9.936 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.119 8.488 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.058 7.986 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.736 6.823 -1.929 1.00 0.00 H new ATOM 756 N ASP A 56 -9.360 3.938 -2.001 1.00 0.00 N ATOM 757 CA ASP A 56 -10.268 2.972 -1.407 1.00 0.00 C ATOM 758 C ASP A 56 -9.613 1.601 -1.391 1.00 0.00 C ATOM 759 O ASP A 56 -9.367 1.018 -2.449 1.00 0.00 O ATOM 760 CB ASP A 56 -11.578 2.918 -2.193 1.00 0.00 C ATOM 761 CG ASP A 56 -12.519 4.051 -1.834 1.00 0.00 C ATOM 762 OD1 ASP A 56 -13.225 3.934 -0.809 1.00 0.00 O ATOM 763 OD2 ASP A 56 -12.552 5.054 -2.577 1.00 0.00 O ATOM 0 H ASP A 56 -8.531 3.522 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.491 3.277 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.359 2.956 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.073 1.965 -2.003 1.00 0.00 H new ATOM 768 N ASP A 57 -9.315 1.090 -0.196 1.00 0.00 N ATOM 769 CA ASP A 57 -8.674 -0.214 -0.076 1.00 0.00 C ATOM 770 C ASP A 57 -8.002 -0.394 1.289 1.00 0.00 C ATOM 771 O ASP A 57 -7.274 0.483 1.756 1.00 0.00 O ATOM 772 CB ASP A 57 -7.647 -0.378 -1.190 1.00 0.00 C ATOM 773 CG ASP A 57 -8.079 -1.389 -2.234 1.00 0.00 C ATOM 774 OD1 ASP A 57 -9.255 -1.806 -2.206 1.00 0.00 O ATOM 775 OD2 ASP A 57 -7.240 -1.763 -3.080 1.00 0.00 O ATOM 0 H ASP A 57 -9.506 1.555 0.692 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.444 -0.980 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.479 0.586 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.695 -0.689 -0.759 1.00 0.00 H new ATOM 780 N TYR A 58 -8.254 -1.545 1.917 1.00 0.00 N ATOM 781 CA TYR A 58 -7.685 -1.859 3.230 1.00 0.00 C ATOM 782 C TYR A 58 -6.742 -3.061 3.166 1.00 0.00 C ATOM 783 O TYR A 58 -6.831 -3.885 2.256 1.00 0.00 O ATOM 784 CB TYR A 58 -8.803 -2.147 4.234 1.00 0.00 C ATOM 785 CG TYR A 58 -9.436 -0.906 4.817 1.00 0.00 C ATOM 786 CD1 TYR A 58 -8.655 0.162 5.240 1.00 0.00 C ATOM 787 CD2 TYR A 58 -10.814 -0.804 4.947 1.00 0.00 C ATOM 788 CE1 TYR A 58 -9.231 1.298 5.775 1.00 0.00 C ATOM 789 CE2 TYR A 58 -11.398 0.329 5.481 1.00 0.00 C ATOM 790 CZ TYR A 58 -10.603 1.377 5.893 1.00 0.00 C ATOM 791 OH TYR A 58 -11.180 2.507 6.426 1.00 0.00 O ATOM 0 H TYR A 58 -8.851 -2.278 1.535 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.111 -0.990 3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.575 -2.740 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.402 -2.754 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.580 0.103 5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -11.440 -1.623 4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.610 2.120 6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.472 0.393 5.575 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.154 2.402 6.438 1.00 0.00 H new ATOM 801 N CYS A 59 -5.845 -3.153 4.149 1.00 0.00 N ATOM 802 CA CYS A 59 -4.881 -4.252 4.220 1.00 0.00 C ATOM 803 C CYS A 59 -5.338 -5.335 5.192 1.00 0.00 C ATOM 804 O CYS A 59 -5.412 -5.108 6.399 1.00 0.00 O ATOM 805 CB CYS A 59 -3.515 -3.734 4.664 1.00 0.00 C ATOM 806 SG CYS A 59 -2.573 -2.866 3.360 1.00 0.00 S ATOM 0 H CYS A 59 -5.766 -2.477 4.909 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.809 -4.683 3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.654 -3.056 5.506 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.922 -4.574 5.025 1.00 0.00 H new ATOM 811 N ASN A 60 -5.622 -6.517 4.660 1.00 0.00 N ATOM 812 CA ASN A 60 -6.051 -7.654 5.472 1.00 0.00 C ATOM 813 C ASN A 60 -5.236 -8.869 5.069 1.00 0.00 C ATOM 814 O ASN A 60 -4.292 -9.262 5.750 1.00 0.00 O ATOM 815 CB ASN A 60 -7.549 -7.912 5.285 1.00 0.00 C ATOM 816 CG ASN A 60 -8.335 -6.622 5.178 1.00 0.00 C ATOM 817 OD1 ASN A 60 -9.314 -6.537 4.437 1.00 0.00 O ATOM 818 ND2 ASN A 60 -7.908 -5.607 5.920 1.00 0.00 N ATOM 0 H ASN A 60 -5.563 -6.716 3.661 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.886 -7.440 6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.705 -8.508 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.924 -8.497 6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.397 -4.712 5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.092 -5.722 6.520 1.00 0.00 H new ATOM 825 N GLY A 61 -5.567 -9.404 3.913 1.00 0.00 N ATOM 826 CA GLY A 61 -4.823 -10.515 3.361 1.00 0.00 C ATOM 827 C GLY A 61 -3.884 -9.980 2.307 1.00 0.00 C ATOM 828 O GLY A 61 -3.595 -10.633 1.305 1.00 0.00 O ATOM 0 H GLY A 61 -6.347 -9.087 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.263 -11.024 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.502 -11.249 2.927 1.00 0.00 H new ATOM 832 N ILE A 62 -3.457 -8.742 2.546 1.00 0.00 N ATOM 833 CA ILE A 62 -2.585 -8.001 1.646 1.00 0.00 C ATOM 834 C ILE A 62 -1.131 -8.454 1.672 1.00 0.00 C ATOM 835 O ILE A 62 -0.318 -7.915 2.422 1.00 0.00 O ATOM 836 CB ILE A 62 -2.613 -6.499 1.982 1.00 0.00 C ATOM 837 CG1 ILE A 62 -2.531 -6.235 3.494 1.00 0.00 C ATOM 838 CG2 ILE A 62 -3.876 -5.858 1.438 1.00 0.00 C ATOM 839 CD1 ILE A 62 -1.867 -7.308 4.338 1.00 0.00 C ATOM 0 H ILE A 62 -3.713 -8.220 3.384 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.979 -8.199 0.649 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.734 -6.058 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.993 -5.300 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.544 -6.085 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.880 -4.796 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.908 -5.980 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.748 -6.337 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.872 -7.003 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.413 -8.245 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.838 -7.447 4.006 1.00 0.00 H new ATOM 851 N SER A 63 -0.785 -9.393 0.815 1.00 0.00 N ATOM 852 CA SER A 63 0.590 -9.839 0.727 1.00 0.00 C ATOM 853 C SER A 63 1.240 -9.149 -0.454 1.00 0.00 C ATOM 854 O SER A 63 1.953 -9.761 -1.249 1.00 0.00 O ATOM 855 CB SER A 63 0.671 -11.347 0.580 1.00 0.00 C ATOM 856 OG SER A 63 -0.113 -11.802 -0.510 1.00 0.00 O ATOM 0 H SER A 63 -1.430 -9.858 0.176 1.00 0.00 H new ATOM 0 HA SER A 63 1.116 -9.580 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.709 -11.645 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.330 -11.823 1.499 1.00 0.00 H new ATOM 0 HG SER A 63 -0.040 -12.777 -0.581 1.00 0.00 H new ATOM 862 N ALA A 64 0.943 -7.861 -0.556 1.00 0.00 N ATOM 863 CA ALA A 64 1.436 -7.017 -1.626 1.00 0.00 C ATOM 864 C ALA A 64 0.401 -6.917 -2.738 1.00 0.00 C ATOM 865 O ALA A 64 0.733 -6.733 -3.909 1.00 0.00 O ATOM 866 CB ALA A 64 2.774 -7.504 -2.147 1.00 0.00 C ATOM 0 H ALA A 64 0.346 -7.371 0.111 1.00 0.00 H new ATOM 0 HA ALA A 64 1.600 -6.017 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.113 -6.848 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.504 -7.496 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.668 -8.519 -2.530 1.00 0.00 H new ATOM 872 N GLY A 65 -0.864 -7.028 -2.340 1.00 0.00 N ATOM 873 CA GLY A 65 -1.967 -6.939 -3.276 1.00 0.00 C ATOM 874 C GLY A 65 -3.159 -6.228 -2.663 1.00 0.00 C ATOM 875 O GLY A 65 -3.043 -5.088 -2.224 1.00 0.00 O ATOM 0 H GLY A 65 -1.145 -7.180 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.645 -6.406 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.261 -7.940 -3.590 1.00 0.00 H new ATOM 879 N CYS A 66 -4.300 -6.906 -2.617 1.00 0.00 N ATOM 880 CA CYS A 66 -5.512 -6.332 -2.036 1.00 0.00 C ATOM 881 C CYS A 66 -6.609 -7.380 -1.862 1.00 0.00 C ATOM 882 O CYS A 66 -7.017 -8.036 -2.820 1.00 0.00 O ATOM 883 CB CYS A 66 -6.037 -5.174 -2.887 1.00 0.00 C ATOM 884 SG CYS A 66 -5.261 -3.575 -2.540 1.00 0.00 S ATOM 0 H CYS A 66 -4.413 -7.854 -2.975 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.240 -5.954 -1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.887 -5.416 -3.939 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -7.112 -5.083 -2.731 1.00 0.00 H new ATOM 889 N PRO A 67 -7.103 -7.540 -0.623 1.00 0.00 N ATOM 890 CA PRO A 67 -8.165 -8.503 -0.301 1.00 0.00 C ATOM 891 C PRO A 67 -9.494 -8.140 -0.957 1.00 0.00 C ATOM 892 O PRO A 67 -9.536 -7.355 -1.904 1.00 0.00 O ATOM 893 CB PRO A 67 -8.283 -8.405 1.224 1.00 0.00 C ATOM 894 CG PRO A 67 -7.760 -7.050 1.556 1.00 0.00 C ATOM 895 CD PRO A 67 -6.665 -6.790 0.566 1.00 0.00 C ATOM 0 HA PRO A 67 -7.930 -9.504 -0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.317 -8.522 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.703 -9.185 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.545 -6.297 1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.382 -7.015 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.558 -5.726 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.700 -7.141 0.931 1.00 0.00 H new ATOM 903 N ARG A 68 -10.577 -8.716 -0.444 1.00 0.00 N ATOM 904 CA ARG A 68 -11.910 -8.452 -0.975 1.00 0.00 C ATOM 905 C ARG A 68 -12.892 -8.150 0.153 1.00 0.00 C ATOM 906 O ARG A 68 -13.838 -8.903 0.385 1.00 0.00 O ATOM 907 CB ARG A 68 -12.404 -9.649 -1.790 1.00 0.00 C ATOM 908 CG ARG A 68 -11.546 -9.952 -3.008 1.00 0.00 C ATOM 909 CD ARG A 68 -11.188 -11.428 -3.083 1.00 0.00 C ATOM 910 NE ARG A 68 -11.705 -12.056 -4.295 1.00 0.00 N ATOM 911 CZ ARG A 68 -11.984 -13.352 -4.391 1.00 0.00 C ATOM 912 NH1 ARG A 68 -11.795 -14.151 -3.350 1.00 0.00 N ATOM 913 NH2 ARG A 68 -12.453 -13.849 -5.527 1.00 0.00 N ATOM 0 H ARG A 68 -10.557 -9.369 0.339 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.850 -7.579 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.431 -10.529 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.427 -9.459 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.080 -9.659 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.634 -9.357 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.104 -11.540 -3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.588 -11.943 -2.209 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.861 -11.468 -5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.435 -13.771 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.009 -15.145 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.600 -13.237 -6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.667 -14.844 -5.599 1.00 0.00 H new ATOM 927 N ASN A 69 -12.658 -7.044 0.853 1.00 0.00 N ATOM 928 CA ASN A 69 -13.518 -6.641 1.961 1.00 0.00 C ATOM 929 C ASN A 69 -13.842 -5.151 1.879 1.00 0.00 C ATOM 930 O ASN A 69 -13.276 -4.430 1.058 1.00 0.00 O ATOM 931 CB ASN A 69 -12.840 -6.961 3.295 1.00 0.00 C ATOM 932 CG ASN A 69 -12.115 -8.292 3.268 1.00 0.00 C ATOM 933 OD1 ASN A 69 -10.891 -8.344 3.149 1.00 0.00 O ATOM 934 ND2 ASN A 69 -12.870 -9.379 3.379 1.00 0.00 N ATOM 0 H ASN A 69 -11.879 -6.410 0.672 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.452 -7.199 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.132 -6.169 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.589 -6.974 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.438 -10.303 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.881 -9.290 3.476 1.00 0.00 H new ATOM 941 N PRO A 70 -14.760 -4.669 2.733 1.00 0.00 N ATOM 942 CA PRO A 70 -15.155 -3.256 2.752 1.00 0.00 C ATOM 943 C PRO A 70 -13.951 -2.324 2.828 1.00 0.00 C ATOM 944 O PRO A 70 -13.291 -2.228 3.862 1.00 0.00 O ATOM 945 CB PRO A 70 -16.005 -3.144 4.018 1.00 0.00 C ATOM 946 CG PRO A 70 -16.552 -4.514 4.223 1.00 0.00 C ATOM 947 CD PRO A 70 -15.483 -5.459 3.747 1.00 0.00 C ATOM 0 HA PRO A 70 -15.683 -2.964 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.406 -2.824 4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.803 -2.412 3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.788 -4.688 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.476 -4.654 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.826 -5.767 4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -15.909 -6.367 3.321 1.00 0.00 H new ATOM 955 N PHE A 71 -13.668 -1.644 1.722 1.00 0.00 N ATOM 956 CA PHE A 71 -12.539 -0.723 1.654 1.00 0.00 C ATOM 957 C PHE A 71 -12.935 0.667 2.148 1.00 0.00 C ATOM 958 O PHE A 71 -13.957 0.826 2.816 1.00 0.00 O ATOM 959 CB PHE A 71 -12.015 -0.654 0.220 1.00 0.00 C ATOM 960 CG PHE A 71 -11.530 -1.979 -0.293 1.00 0.00 C ATOM 961 CD1 PHE A 71 -10.903 -2.874 0.559 1.00 0.00 C ATOM 962 CD2 PHE A 71 -11.698 -2.330 -1.622 1.00 0.00 C ATOM 963 CE1 PHE A 71 -10.452 -4.094 0.096 1.00 0.00 C ATOM 964 CE2 PHE A 71 -11.250 -3.549 -2.092 1.00 0.00 C ATOM 965 CZ PHE A 71 -10.626 -4.433 -1.232 1.00 0.00 C ATOM 0 H PHE A 71 -14.206 -1.714 0.858 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.748 -1.094 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.807 -0.286 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -11.200 0.068 0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -10.765 -2.614 1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -12.185 -1.643 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.964 -4.782 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.387 -3.811 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.275 -5.387 -1.597 1.00 0.00 H new ATOM 975 N HIS A 72 -12.122 1.673 1.826 1.00 0.00 N ATOM 976 CA HIS A 72 -12.403 3.038 2.254 1.00 0.00 C ATOM 977 C HIS A 72 -13.827 3.442 1.881 1.00 0.00 C ATOM 978 O HIS A 72 -14.405 2.910 0.934 1.00 0.00 O ATOM 979 CB HIS A 72 -11.401 4.008 1.627 1.00 0.00 C ATOM 980 CG HIS A 72 -11.297 5.312 2.356 1.00 0.00 C ATOM 981 ND1 HIS A 72 -11.687 6.516 1.806 1.00 0.00 N ATOM 982 CD2 HIS A 72 -10.845 5.599 3.601 1.00 0.00 C ATOM 983 CE1 HIS A 72 -11.479 7.485 2.680 1.00 0.00 C ATOM 984 NE2 HIS A 72 -10.970 6.955 3.776 1.00 0.00 N ATOM 0 H HIS A 72 -11.271 1.567 1.274 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.306 3.081 3.339 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.419 3.536 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.691 4.200 0.594 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.459 4.893 4.321 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.690 8.533 2.524 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.711 7.470 4.618 1.00 0.00 H new ATOM 993 N ALA A 73 -14.388 4.382 2.635 1.00 0.00 N ATOM 994 CA ALA A 73 -15.746 4.853 2.385 1.00 0.00 C ATOM 995 C ALA A 73 -16.323 5.543 3.617 1.00 0.00 C ATOM 996 O ALA A 73 -15.972 6.718 3.855 1.00 0.00 O ATOM 997 CB ALA A 73 -16.637 3.695 1.964 1.00 0.00 C ATOM 998 OXT ALA A 73 -17.123 4.904 4.331 1.00 0.00 O ATOM 0 H ALA A 73 -13.924 4.832 3.424 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.707 5.582 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -17.647 4.061 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.243 3.246 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -16.660 2.947 2.757 1.00 0.00 H new TER 1004 ALA A 73