USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 362 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 36 CYS SG : rot -105:sc= -0.75! USER MOD Set 1.2: A 45 SER OG : rot 134:sc= -0.869! USER MOD Set 2.1: A 13 TYR OH : rot 130:sc= -0.616 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0375) USER MOD Set 3.2: A 15 ASN : amide:sc= -0.0552 X(o=-0.055,f=0) USER MOD Set 4.1: A 10 THR OG1 : rot -97:sc= 0.00901 USER MOD Set 4.2: A 38 GLN : amide:sc= -0.229 K(o=-0.22,f=-1.1) USER MOD Single : A 1 ASP N :NH3+ -169:sc= 0 (180deg=-0.172) USER MOD Single : A 6 TYR OH : rot -45:sc= 1.03 USER MOD Single : A 7 THR OG1 : rot 55:sc= 0.508! USER MOD Single : A 8 SER OG : rot -33:sc= 0.387 USER MOD Single : A 17 SER OG : rot -90:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.327 K(o=0.33,f=-0.71) USER MOD Single : A 25 SER OG : rot 147:sc= -0.67! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.7) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -81:sc= 0.598 USER MOD Single : A 46 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 157:sc=-0.00749 (180deg=-0.183) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00467 X(o=-0.0047,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.335 K(o=-0.34,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.764 -6.482 -6.433 1.00 0.00 N ATOM 2 CA ASP A 1 8.632 -7.383 -6.567 1.00 0.00 C ATOM 3 C ASP A 1 7.707 -7.215 -5.360 1.00 0.00 C ATOM 4 O ASP A 1 7.955 -7.785 -4.299 1.00 0.00 O ATOM 5 CB ASP A 1 9.092 -8.841 -6.611 1.00 0.00 C ATOM 6 CG ASP A 1 10.321 -9.106 -7.483 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.260 -8.738 -8.676 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.293 -9.672 -6.937 1.00 0.00 O ATOM 0 H1 ASP A 1 10.294 -6.454 -7.328 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.422 -5.527 -6.203 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.388 -6.819 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 1 8.115 -7.140 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.309 -9.168 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.268 -9.455 -6.974 1.00 0.00 H new ATOM 13 N ILE A 2 6.659 -6.429 -5.563 1.00 0.00 N ATOM 14 CA ILE A 2 5.696 -6.179 -4.505 1.00 0.00 C ATOM 15 C ILE A 2 4.663 -7.308 -4.484 1.00 0.00 C ATOM 16 O ILE A 2 4.184 -7.696 -3.419 1.00 0.00 O ATOM 17 CB ILE A 2 5.081 -4.786 -4.658 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.742 -4.856 -5.396 1.00 0.00 C ATOM 19 CG2 ILE A 2 6.060 -3.826 -5.337 1.00 0.00 C ATOM 20 CD1 ILE A 2 3.115 -3.467 -5.526 1.00 0.00 C ATOM 0 H ILE A 2 6.456 -5.957 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 2 6.190 -6.179 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 2 4.880 -4.390 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.891 -5.286 -6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.061 -5.518 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.598 -2.843 -5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.965 -3.744 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.315 -4.206 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.165 -3.545 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.945 -3.050 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.787 -2.815 -6.083 1.00 0.00 H new ATOM 32 N GLU A 3 4.350 -7.803 -5.672 1.00 0.00 N ATOM 33 CA GLU A 3 3.384 -8.880 -5.804 1.00 0.00 C ATOM 34 C GLU A 3 3.796 -10.072 -4.938 1.00 0.00 C ATOM 35 O GLU A 3 2.945 -10.827 -4.470 1.00 0.00 O ATOM 36 CB GLU A 3 3.221 -9.295 -7.267 1.00 0.00 C ATOM 37 CG GLU A 3 4.566 -9.696 -7.876 1.00 0.00 C ATOM 38 CD GLU A 3 4.368 -10.571 -9.115 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.013 -11.754 -8.923 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.575 -10.038 -10.226 1.00 0.00 O ATOM 0 H GLU A 3 4.749 -7.478 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 3 2.417 -8.519 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.523 -10.129 -7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.791 -8.471 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.129 -8.802 -8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.158 -10.235 -7.136 1.00 0.00 H new ATOM 47 N ASP A 4 5.101 -10.204 -4.752 1.00 0.00 N ATOM 48 CA ASP A 4 5.636 -11.291 -3.951 1.00 0.00 C ATOM 49 C ASP A 4 5.385 -11.000 -2.470 1.00 0.00 C ATOM 50 O ASP A 4 5.698 -11.822 -1.610 1.00 0.00 O ATOM 51 CB ASP A 4 7.146 -11.434 -4.154 1.00 0.00 C ATOM 52 CG ASP A 4 7.580 -11.729 -5.592 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.699 -11.660 -6.476 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.782 -12.016 -5.774 1.00 0.00 O ATOM 0 H ASP A 4 5.804 -9.576 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 4 5.141 -12.212 -4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.630 -10.514 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.510 -12.234 -3.509 1.00 0.00 H new ATOM 59 N PHE A 5 4.821 -9.828 -2.217 1.00 0.00 N ATOM 60 CA PHE A 5 4.523 -9.419 -0.856 1.00 0.00 C ATOM 61 C PHE A 5 3.071 -8.955 -0.727 1.00 0.00 C ATOM 62 O PHE A 5 2.721 -8.252 0.220 1.00 0.00 O ATOM 63 CB PHE A 5 5.451 -8.247 -0.528 1.00 0.00 C ATOM 64 CG PHE A 5 6.788 -8.666 0.087 1.00 0.00 C ATOM 65 CD1 PHE A 5 6.896 -8.831 1.432 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.869 -8.872 -0.712 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.137 -9.220 2.003 1.00 0.00 C ATOM 68 CE2 PHE A 5 9.110 -9.260 -0.142 1.00 0.00 C ATOM 69 CZ PHE A 5 9.218 -9.426 1.204 1.00 0.00 C ATOM 0 H PHE A 5 4.563 -9.149 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 5 4.670 -10.258 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.643 -7.683 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.940 -7.574 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.038 -8.666 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.783 -8.740 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.222 -9.352 3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.968 -9.423 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.162 -9.721 1.638 1.00 0.00 H new ATOM 79 N TYR A 6 2.264 -9.366 -1.694 1.00 0.00 N ATOM 80 CA TYR A 6 0.858 -9.002 -1.702 1.00 0.00 C ATOM 81 C TYR A 6 0.062 -9.864 -0.720 1.00 0.00 C ATOM 82 O TYR A 6 -0.028 -11.080 -0.888 1.00 0.00 O ATOM 83 CB TYR A 6 0.358 -9.275 -3.122 1.00 0.00 C ATOM 84 CG TYR A 6 -1.052 -8.749 -3.398 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.550 -7.692 -2.664 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.825 -9.332 -4.381 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.877 -7.198 -2.923 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.152 -8.838 -4.640 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.613 -7.795 -3.899 1.00 0.00 C ATOM 90 OH TYR A 6 -4.866 -7.327 -4.144 1.00 0.00 O ATOM 0 H TYR A 6 2.558 -9.948 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 6 0.731 -7.960 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.049 -8.822 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.375 -10.350 -3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.944 -7.235 -1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.435 -10.159 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.279 -6.372 -2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.768 -9.286 -5.406 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.334 -7.184 -3.295 1.00 0.00 H new ATOM 100 N THR A 7 -0.493 -9.202 0.284 1.00 0.00 N ATOM 101 CA THR A 7 -1.278 -9.893 1.294 1.00 0.00 C ATOM 102 C THR A 7 -2.772 -9.677 1.048 1.00 0.00 C ATOM 103 O THR A 7 -3.358 -8.723 1.558 1.00 0.00 O ATOM 104 CB THR A 7 -0.812 -9.409 2.668 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.445 -8.141 2.822 1.00 0.00 O ATOM 106 CG2 THR A 7 0.683 -9.085 2.699 1.00 0.00 C ATOM 0 H THR A 7 -0.415 -8.194 0.420 1.00 0.00 H new ATOM 0 HA THR A 7 -1.125 -10.971 1.245 1.00 0.00 H new ATOM 0 HB THR A 7 -1.034 -10.171 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.413 -8.243 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.961 -8.746 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.254 -9.978 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.900 -8.299 1.975 1.00 0.00 H new ATOM 114 N SER A 8 -3.347 -10.579 0.266 1.00 0.00 N ATOM 115 CA SER A 8 -4.762 -10.499 -0.054 1.00 0.00 C ATOM 116 C SER A 8 -5.597 -10.943 1.149 1.00 0.00 C ATOM 117 O SER A 8 -6.825 -10.952 1.087 1.00 0.00 O ATOM 118 CB SER A 8 -5.100 -11.353 -1.278 1.00 0.00 C ATOM 119 OG SER A 8 -6.442 -11.155 -1.714 1.00 0.00 O ATOM 0 H SER A 8 -2.858 -11.369 -0.155 1.00 0.00 H new ATOM 0 HA SER A 8 -5.000 -9.462 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.415 -11.109 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.948 -12.406 -1.039 1.00 0.00 H new ATOM 0 HG SER A 8 -7.014 -10.975 -0.939 1.00 0.00 H new ATOM 125 N GLU A 9 -4.896 -11.300 2.215 1.00 0.00 N ATOM 126 CA GLU A 9 -5.557 -11.744 3.431 1.00 0.00 C ATOM 127 C GLU A 9 -6.100 -10.544 4.208 1.00 0.00 C ATOM 128 O GLU A 9 -7.223 -10.581 4.709 1.00 0.00 O ATOM 129 CB GLU A 9 -4.609 -12.576 4.297 1.00 0.00 C ATOM 130 CG GLU A 9 -5.261 -13.897 4.709 1.00 0.00 C ATOM 131 CD GLU A 9 -4.815 -14.315 6.112 1.00 0.00 C ATOM 132 OE1 GLU A 9 -4.896 -13.452 7.013 1.00 0.00 O ATOM 133 OE2 GLU A 9 -4.403 -15.486 6.252 1.00 0.00 O ATOM 0 H GLU A 9 -3.877 -11.291 2.262 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.396 -12.382 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.689 -12.776 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.332 -12.010 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.346 -13.794 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.998 -14.675 3.993 1.00 0.00 H new ATOM 140 N THR A 10 -5.278 -9.507 4.285 1.00 0.00 N ATOM 141 CA THR A 10 -5.662 -8.298 4.993 1.00 0.00 C ATOM 142 C THR A 10 -6.001 -7.184 4.001 1.00 0.00 C ATOM 143 O THR A 10 -6.737 -6.256 4.332 1.00 0.00 O ATOM 144 CB THR A 10 -4.528 -7.932 5.953 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.758 -6.559 6.254 1.00 0.00 O ATOM 146 CG2 THR A 10 -3.158 -7.940 5.271 1.00 0.00 C ATOM 0 H THR A 10 -4.347 -9.480 3.868 1.00 0.00 H new ATOM 0 HA THR A 10 -6.567 -8.454 5.580 1.00 0.00 H new ATOM 0 HB THR A 10 -4.521 -8.631 6.790 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.199 -5.999 5.676 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.389 -7.674 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.954 -8.935 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.153 -7.217 4.455 1.00 0.00 H new ATOM 154 N CYS A 11 -5.449 -7.313 2.803 1.00 0.00 N ATOM 155 CA CYS A 11 -5.684 -6.329 1.761 1.00 0.00 C ATOM 156 C CYS A 11 -7.171 -6.354 1.403 1.00 0.00 C ATOM 157 O CYS A 11 -7.770 -7.424 1.300 1.00 0.00 O ATOM 158 CB CYS A 11 -4.798 -6.577 0.538 1.00 0.00 C ATOM 159 SG CYS A 11 -4.815 -5.237 -0.707 1.00 0.00 S ATOM 0 H CYS A 11 -4.840 -8.085 2.531 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.416 -5.338 2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.772 -6.728 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.116 -7.503 0.059 1.00 0.00 H new ATOM 164 N PRO A 12 -7.739 -5.132 1.217 1.00 0.00 N ATOM 165 CA PRO A 12 -9.144 -5.005 0.873 1.00 0.00 C ATOM 166 C PRO A 12 -9.386 -5.377 -0.591 1.00 0.00 C ATOM 167 O PRO A 12 -10.526 -5.596 -1.000 1.00 0.00 O ATOM 168 CB PRO A 12 -9.496 -3.559 1.184 1.00 0.00 C ATOM 169 CG PRO A 12 -8.173 -2.813 1.249 1.00 0.00 C ATOM 170 CD PRO A 12 -7.060 -3.845 1.331 1.00 0.00 C ATOM 0 HA PRO A 12 -9.779 -5.687 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.143 -3.140 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.034 -3.483 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.046 -2.184 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.148 -2.155 2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.333 -3.708 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.516 -3.766 2.272 1.00 0.00 H new ATOM 178 N TYR A 13 -8.296 -5.437 -1.341 1.00 0.00 N ATOM 179 CA TYR A 13 -8.375 -5.779 -2.751 1.00 0.00 C ATOM 180 C TYR A 13 -7.725 -7.138 -3.023 1.00 0.00 C ATOM 181 O TYR A 13 -6.742 -7.500 -2.378 1.00 0.00 O ATOM 182 CB TYR A 13 -7.591 -4.695 -3.493 1.00 0.00 C ATOM 183 CG TYR A 13 -7.926 -3.270 -3.046 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.041 -2.633 -3.550 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.112 -2.622 -2.139 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.356 -1.292 -3.130 1.00 0.00 C ATOM 187 CE2 TYR A 13 -7.426 -1.281 -1.719 1.00 0.00 C ATOM 188 CZ TYR A 13 -8.533 -0.682 -2.235 1.00 0.00 C ATOM 189 OH TYR A 13 -8.830 0.584 -1.838 1.00 0.00 O ATOM 0 H TYR A 13 -7.353 -5.254 -0.999 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.415 -5.838 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.525 -4.869 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.787 -4.786 -4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.678 -3.140 -4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.239 -3.121 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.226 -0.782 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.797 -0.763 -1.010 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.811 0.633 -0.859 1.00 0.00 H new ATOM 199 N LYS A 14 -8.299 -7.852 -3.980 1.00 0.00 N ATOM 200 CA LYS A 14 -7.788 -9.162 -4.345 1.00 0.00 C ATOM 201 C LYS A 14 -7.746 -9.281 -5.870 1.00 0.00 C ATOM 202 O LYS A 14 -7.910 -10.371 -6.416 1.00 0.00 O ATOM 203 CB LYS A 14 -8.603 -10.264 -3.664 1.00 0.00 C ATOM 204 CG LYS A 14 -9.945 -10.468 -4.369 1.00 0.00 C ATOM 205 CD LYS A 14 -10.825 -9.223 -4.245 1.00 0.00 C ATOM 206 CE LYS A 14 -10.940 -8.497 -5.587 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.800 -9.262 -6.518 1.00 0.00 N ATOM 0 H LYS A 14 -9.113 -7.548 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.766 -9.286 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.039 -11.196 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.773 -10.003 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.776 -10.695 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.460 -11.326 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.817 -9.508 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.405 -8.549 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.355 -7.501 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.949 -8.366 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.062 -8.659 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.283 -10.096 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.661 -9.570 -6.022 1.00 0.00 H new ATOM 221 N ASN A 15 -7.525 -8.145 -6.514 1.00 0.00 N ATOM 222 CA ASN A 15 -7.459 -8.108 -7.965 1.00 0.00 C ATOM 223 C ASN A 15 -5.994 -8.077 -8.404 1.00 0.00 C ATOM 224 O ASN A 15 -5.598 -8.806 -9.313 1.00 0.00 O ATOM 225 CB ASN A 15 -8.145 -6.856 -8.516 1.00 0.00 C ATOM 226 CG ASN A 15 -8.927 -7.176 -9.791 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.590 -6.746 -10.882 1.00 0.00 O ATOM 228 ND2 ASN A 15 -9.989 -7.953 -9.594 1.00 0.00 N ATOM 0 H ASN A 15 -7.389 -7.243 -6.058 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.965 -8.994 -8.348 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.820 -6.446 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.398 -6.090 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.577 -8.223 -10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.215 -8.279 -8.654 1.00 0.00 H new ATOM 235 N ASP A 16 -5.228 -7.224 -7.739 1.00 0.00 N ATOM 236 CA ASP A 16 -3.815 -7.088 -8.049 1.00 0.00 C ATOM 237 C ASP A 16 -3.120 -6.328 -6.918 1.00 0.00 C ATOM 238 O ASP A 16 -3.754 -5.551 -6.206 1.00 0.00 O ATOM 239 CB ASP A 16 -3.609 -6.301 -9.345 1.00 0.00 C ATOM 240 CG ASP A 16 -2.550 -6.874 -10.288 1.00 0.00 C ATOM 241 OD1 ASP A 16 -2.092 -8.003 -10.009 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.222 -6.171 -11.268 1.00 0.00 O ATOM 0 H ASP A 16 -5.560 -6.620 -6.987 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.397 -8.088 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.559 -6.251 -9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.332 -5.278 -9.091 1.00 0.00 H new ATOM 247 N SER A 17 -1.825 -6.578 -6.788 1.00 0.00 N ATOM 248 CA SER A 17 -1.037 -5.927 -5.756 1.00 0.00 C ATOM 249 C SER A 17 -0.801 -4.461 -6.124 1.00 0.00 C ATOM 250 O SER A 17 -0.755 -3.597 -5.249 1.00 0.00 O ATOM 251 CB SER A 17 0.299 -6.644 -5.548 1.00 0.00 C ATOM 252 OG SER A 17 1.078 -6.677 -6.741 1.00 0.00 O ATOM 0 H SER A 17 -1.302 -7.223 -7.381 1.00 0.00 H new ATOM 0 HA SER A 17 -1.594 -5.975 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.862 -6.141 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.115 -7.663 -5.207 1.00 0.00 H new ATOM 0 HG SER A 17 0.864 -7.487 -7.249 1.00 0.00 H new ATOM 258 N GLN A 18 -0.659 -4.225 -7.420 1.00 0.00 N ATOM 259 CA GLN A 18 -0.429 -2.878 -7.915 1.00 0.00 C ATOM 260 C GLN A 18 -1.709 -2.047 -7.805 1.00 0.00 C ATOM 261 O GLN A 18 -1.652 -0.823 -7.705 1.00 0.00 O ATOM 262 CB GLN A 18 0.087 -2.904 -9.355 1.00 0.00 C ATOM 263 CG GLN A 18 0.981 -1.695 -9.638 1.00 0.00 C ATOM 264 CD GLN A 18 0.220 -0.622 -10.420 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.229 -0.583 -11.640 1.00 0.00 O ATOM 266 NE2 GLN A 18 -0.436 0.244 -9.653 1.00 0.00 N ATOM 0 H GLN A 18 -0.699 -4.944 -8.143 1.00 0.00 H new ATOM 0 HA GLN A 18 0.338 -2.410 -7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.647 -3.823 -9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.755 -2.908 -10.047 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.343 -1.278 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.857 -2.011 -10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.401 0.154 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.974 0.998 -10.080 1.00 0.00 H new ATOM 275 N LEU A 19 -2.834 -2.746 -7.829 1.00 0.00 N ATOM 276 CA LEU A 19 -4.126 -2.088 -7.734 1.00 0.00 C ATOM 277 C LEU A 19 -4.246 -1.403 -6.371 1.00 0.00 C ATOM 278 O LEU A 19 -4.417 -0.188 -6.296 1.00 0.00 O ATOM 279 CB LEU A 19 -5.255 -3.079 -8.026 1.00 0.00 C ATOM 280 CG LEU A 19 -6.636 -2.701 -7.485 1.00 0.00 C ATOM 281 CD1 LEU A 19 -6.684 -2.839 -5.962 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.041 -1.300 -7.946 1.00 0.00 C ATOM 0 H LEU A 19 -2.878 -3.762 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.213 -1.309 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.332 -3.204 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.977 -4.048 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.366 -3.398 -7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.676 -2.565 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.470 -3.871 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.941 -2.180 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.026 -1.056 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.313 -0.573 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.073 -1.270 -9.035 1.00 0.00 H new ATOM 294 N ALA A 20 -4.151 -2.214 -5.327 1.00 0.00 N ATOM 295 CA ALA A 20 -4.246 -1.702 -3.971 1.00 0.00 C ATOM 296 C ALA A 20 -3.134 -0.678 -3.737 1.00 0.00 C ATOM 297 O ALA A 20 -3.319 0.288 -2.998 1.00 0.00 O ATOM 298 CB ALA A 20 -4.185 -2.865 -2.979 1.00 0.00 C ATOM 0 H ALA A 20 -4.009 -3.222 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.199 -1.195 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.256 -2.480 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.014 -3.548 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.242 -3.397 -3.100 1.00 0.00 H new ATOM 304 N TRP A 21 -2.003 -0.923 -4.382 1.00 0.00 N ATOM 305 CA TRP A 21 -0.860 -0.034 -4.254 1.00 0.00 C ATOM 306 C TRP A 21 -1.222 1.298 -4.913 1.00 0.00 C ATOM 307 O TRP A 21 -0.851 2.361 -4.416 1.00 0.00 O ATOM 308 CB TRP A 21 0.399 -0.671 -4.846 1.00 0.00 C ATOM 309 CG TRP A 21 1.514 0.329 -5.159 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.603 1.165 -6.203 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.702 0.565 -4.376 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.757 1.919 -6.149 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.447 1.543 -5.003 1.00 0.00 C ATOM 314 CE3 TRP A 21 3.134 -0.029 -3.176 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.668 2.014 -4.505 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.356 0.453 -2.692 1.00 0.00 C ATOM 317 CH2 TRP A 21 5.118 1.437 -3.312 1.00 0.00 C ATOM 0 H TRP A 21 -1.853 -1.724 -4.995 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.628 0.148 -3.205 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.779 -1.417 -4.148 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.131 -1.199 -5.761 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.864 1.239 -6.987 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.050 2.623 -6.826 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.568 -0.796 -2.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.232 2.781 -5.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.733 0.031 -1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.053 1.755 -2.875 1.00 0.00 H new ATOM 328 N ASP A 22 -1.942 1.198 -6.021 1.00 0.00 N ATOM 329 CA ASP A 22 -2.357 2.383 -6.753 1.00 0.00 C ATOM 330 C ASP A 22 -3.323 3.197 -5.889 1.00 0.00 C ATOM 331 O ASP A 22 -3.619 4.350 -6.202 1.00 0.00 O ATOM 332 CB ASP A 22 -3.083 2.005 -8.045 1.00 0.00 C ATOM 333 CG ASP A 22 -2.673 2.814 -9.277 1.00 0.00 C ATOM 334 OD1 ASP A 22 -2.359 4.010 -9.092 1.00 0.00 O ATOM 335 OD2 ASP A 22 -2.682 2.219 -10.376 1.00 0.00 O ATOM 0 H ASP A 22 -2.248 0.315 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.465 2.960 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.907 0.949 -8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.155 2.125 -7.890 1.00 0.00 H new ATOM 340 N THR A 23 -3.787 2.567 -4.820 1.00 0.00 N ATOM 341 CA THR A 23 -4.713 3.219 -3.910 1.00 0.00 C ATOM 342 C THR A 23 -3.948 3.949 -2.804 1.00 0.00 C ATOM 343 O THR A 23 -3.927 5.178 -2.766 1.00 0.00 O ATOM 344 CB THR A 23 -5.681 2.159 -3.381 1.00 0.00 C ATOM 345 OG1 THR A 23 -6.872 2.370 -4.134 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.103 2.421 -1.934 1.00 0.00 C ATOM 0 H THR A 23 -3.539 1.611 -4.564 1.00 0.00 H new ATOM 0 HA THR A 23 -5.295 3.986 -4.420 1.00 0.00 H new ATOM 0 HB THR A 23 -5.216 1.176 -3.450 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.554 1.723 -3.856 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.790 1.640 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.222 2.421 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.599 3.390 -1.869 1.00 0.00 H new ATOM 354 N CYS A 24 -3.337 3.161 -1.931 1.00 0.00 N ATOM 355 CA CYS A 24 -2.573 3.717 -0.828 1.00 0.00 C ATOM 356 C CYS A 24 -1.348 4.431 -1.403 1.00 0.00 C ATOM 357 O CYS A 24 -1.222 5.649 -1.286 1.00 0.00 O ATOM 358 CB CYS A 24 -2.183 2.642 0.189 1.00 0.00 C ATOM 359 SG CYS A 24 -0.490 2.804 0.865 1.00 0.00 S ATOM 0 H CYS A 24 -3.356 2.142 -1.966 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.187 4.434 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.893 2.669 1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.279 1.664 -0.282 1.00 0.00 H new ATOM 364 N SER A 25 -0.476 3.641 -2.012 1.00 0.00 N ATOM 365 CA SER A 25 0.735 4.182 -2.606 1.00 0.00 C ATOM 366 C SER A 25 0.412 4.833 -3.952 1.00 0.00 C ATOM 367 O SER A 25 1.030 4.511 -4.966 1.00 0.00 O ATOM 368 CB SER A 25 1.795 3.093 -2.784 1.00 0.00 C ATOM 369 OG SER A 25 1.246 1.786 -2.648 1.00 0.00 O ATOM 0 H SER A 25 -0.584 2.631 -2.107 1.00 0.00 H new ATOM 0 HA SER A 25 1.139 4.937 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.255 3.192 -3.767 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.585 3.233 -2.047 1.00 0.00 H new ATOM 0 HG SER A 25 1.728 1.166 -3.235 1.00 0.00 H new ATOM 375 N GLY A 26 -0.555 5.738 -3.919 1.00 0.00 N ATOM 376 CA GLY A 26 -0.968 6.437 -5.124 1.00 0.00 C ATOM 377 C GLY A 26 -1.045 7.946 -4.884 1.00 0.00 C ATOM 378 O GLY A 26 -0.146 8.528 -4.278 1.00 0.00 O ATOM 0 H GLY A 26 -1.065 6.003 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.263 6.229 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.941 6.067 -5.448 1.00 0.00 H new ATOM 382 N GLY A 27 -2.126 8.536 -5.371 1.00 0.00 N ATOM 383 CA GLY A 27 -2.332 9.966 -5.216 1.00 0.00 C ATOM 384 C GLY A 27 -3.392 10.256 -4.152 1.00 0.00 C ATOM 385 O GLY A 27 -3.259 11.204 -3.380 1.00 0.00 O ATOM 0 H GLY A 27 -2.869 8.050 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.393 10.444 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.640 10.398 -6.168 1.00 0.00 H new ATOM 389 N THR A 28 -4.421 9.421 -4.144 1.00 0.00 N ATOM 390 CA THR A 28 -5.503 9.575 -3.187 1.00 0.00 C ATOM 391 C THR A 28 -5.908 8.215 -2.616 1.00 0.00 C ATOM 392 O THR A 28 -5.149 7.251 -2.700 1.00 0.00 O ATOM 393 CB THR A 28 -6.650 10.308 -3.885 1.00 0.00 C ATOM 394 OG1 THR A 28 -6.966 9.477 -4.999 1.00 0.00 O ATOM 395 CG2 THR A 28 -6.204 11.627 -4.518 1.00 0.00 C ATOM 0 H THR A 28 -4.528 8.635 -4.786 1.00 0.00 H new ATOM 0 HA THR A 28 -5.191 10.171 -2.330 1.00 0.00 H new ATOM 0 HB THR A 28 -7.447 10.502 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.702 9.877 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.056 12.106 -5.000 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.807 12.285 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.431 11.431 -5.261 1.00 0.00 H new ATOM 403 N GLY A 29 -7.105 8.180 -2.049 1.00 0.00 N ATOM 404 CA GLY A 29 -7.621 6.953 -1.464 1.00 0.00 C ATOM 405 C GLY A 29 -7.306 6.884 0.032 1.00 0.00 C ATOM 406 O GLY A 29 -7.746 7.736 0.802 1.00 0.00 O ATOM 0 H GLY A 29 -7.733 8.981 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.699 6.899 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.185 6.093 -1.971 1.00 0.00 H new ATOM 410 N ASN A 30 -6.546 5.862 0.397 1.00 0.00 N ATOM 411 CA ASN A 30 -6.168 5.671 1.787 1.00 0.00 C ATOM 412 C ASN A 30 -4.661 5.416 1.870 1.00 0.00 C ATOM 413 O ASN A 30 -4.232 4.312 2.201 1.00 0.00 O ATOM 414 CB ASN A 30 -6.885 4.463 2.392 1.00 0.00 C ATOM 415 CG ASN A 30 -7.074 3.358 1.350 1.00 0.00 C ATOM 416 OD1 ASN A 30 -7.853 3.475 0.418 1.00 0.00 O ATOM 417 ND2 ASN A 30 -6.320 2.283 1.559 1.00 0.00 N ATOM 0 H ASN A 30 -6.182 5.158 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.446 6.569 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.310 4.079 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.856 4.770 2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.373 1.491 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.689 2.251 2.359 1.00 0.00 H new ATOM 424 N CYS A 31 -3.900 6.457 1.564 1.00 0.00 N ATOM 425 CA CYS A 31 -2.451 6.360 1.600 1.00 0.00 C ATOM 426 C CYS A 31 -1.988 6.610 3.037 1.00 0.00 C ATOM 427 O CYS A 31 -2.502 7.501 3.712 1.00 0.00 O ATOM 428 CB CYS A 31 -1.794 7.327 0.613 1.00 0.00 C ATOM 429 SG CYS A 31 -1.721 9.066 1.176 1.00 0.00 S ATOM 0 H CYS A 31 -4.260 7.371 1.290 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.144 5.362 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.780 6.983 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.339 7.288 -0.330 1.00 0.00 H new ATOM 434 N GLY A 32 -1.023 5.808 3.462 1.00 0.00 N ATOM 435 CA GLY A 32 -0.486 5.931 4.807 1.00 0.00 C ATOM 436 C GLY A 32 0.516 4.813 5.101 1.00 0.00 C ATOM 437 O GLY A 32 0.795 3.981 4.239 1.00 0.00 O ATOM 0 H GLY A 32 -0.599 5.071 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.001 6.900 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.299 5.895 5.532 1.00 0.00 H new ATOM 441 N THR A 33 1.030 4.829 6.322 1.00 0.00 N ATOM 442 CA THR A 33 1.995 3.826 6.741 1.00 0.00 C ATOM 443 C THR A 33 1.279 2.553 7.196 1.00 0.00 C ATOM 444 O THR A 33 1.922 1.552 7.506 1.00 0.00 O ATOM 445 CB THR A 33 2.880 4.446 7.825 1.00 0.00 C ATOM 446 OG1 THR A 33 3.498 5.554 7.177 1.00 0.00 O ATOM 447 CG2 THR A 33 4.051 3.541 8.213 1.00 0.00 C ATOM 0 H THR A 33 0.797 5.520 7.035 1.00 0.00 H new ATOM 0 HA THR A 33 2.635 3.522 5.912 1.00 0.00 H new ATOM 0 HB THR A 33 2.277 4.658 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.089 6.015 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.647 4.028 8.985 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.668 2.594 8.593 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.673 3.356 7.337 1.00 0.00 H new ATOM 455 N VAL A 34 -0.044 2.634 7.222 1.00 0.00 N ATOM 456 CA VAL A 34 -0.855 1.501 7.634 1.00 0.00 C ATOM 457 C VAL A 34 -0.880 0.462 6.511 1.00 0.00 C ATOM 458 O VAL A 34 -0.789 -0.737 6.768 1.00 0.00 O ATOM 459 CB VAL A 34 -2.251 1.977 8.040 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.172 0.790 8.331 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.181 2.924 9.239 1.00 0.00 C ATOM 0 H VAL A 34 -0.574 3.467 6.964 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.422 1.020 8.512 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.673 2.531 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.158 1.156 8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.260 0.170 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.755 0.197 9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.187 3.247 9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.729 2.407 10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.577 3.794 8.981 1.00 0.00 H new ATOM 471 N CYS A 35 -1.004 0.961 5.290 1.00 0.00 N ATOM 472 CA CYS A 35 -1.042 0.091 4.127 1.00 0.00 C ATOM 473 C CYS A 35 0.302 -0.632 4.023 1.00 0.00 C ATOM 474 O CYS A 35 0.434 -1.601 3.277 1.00 0.00 O ATOM 475 CB CYS A 35 -1.371 0.868 2.850 1.00 0.00 C ATOM 476 SG CYS A 35 -0.055 0.850 1.579 1.00 0.00 S ATOM 0 H CYS A 35 -1.079 1.956 5.081 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.840 -0.642 4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.282 0.456 2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.585 1.903 3.116 1.00 0.00 H new ATOM 481 N CYS A 36 1.266 -0.134 4.784 1.00 0.00 N ATOM 482 CA CYS A 36 2.596 -0.721 4.787 1.00 0.00 C ATOM 483 C CYS A 36 2.462 -2.211 5.107 1.00 0.00 C ATOM 484 O CYS A 36 2.973 -3.055 4.373 1.00 0.00 O ATOM 485 CB CYS A 36 3.526 -0.007 5.770 1.00 0.00 C ATOM 486 SG CYS A 36 3.547 -0.713 7.458 1.00 0.00 S ATOM 0 H CYS A 36 1.153 0.669 5.403 1.00 0.00 H new ATOM 0 HA CYS A 36 3.052 -0.601 3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.540 -0.028 5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.230 1.040 5.833 1.00 0.00 H new ATOM 0 HG CYS A 36 2.877 0.060 8.260 1.00 0.00 H new ATOM 491 N GLY A 37 1.772 -2.489 6.203 1.00 0.00 N ATOM 492 CA GLY A 37 1.565 -3.862 6.630 1.00 0.00 C ATOM 493 C GLY A 37 0.086 -4.246 6.541 1.00 0.00 C ATOM 494 O GLY A 37 -0.430 -4.947 7.411 1.00 0.00 O ATOM 0 H GLY A 37 1.349 -1.786 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.157 -4.533 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.915 -3.985 7.655 1.00 0.00 H new ATOM 498 N GLN A 38 -0.553 -3.771 5.483 1.00 0.00 N ATOM 499 CA GLN A 38 -1.962 -4.056 5.270 1.00 0.00 C ATOM 500 C GLN A 38 -2.161 -4.781 3.937 1.00 0.00 C ATOM 501 O GLN A 38 -2.886 -5.772 3.868 1.00 0.00 O ATOM 502 CB GLN A 38 -2.796 -2.775 5.327 1.00 0.00 C ATOM 503 CG GLN A 38 -4.202 -3.058 5.858 1.00 0.00 C ATOM 504 CD GLN A 38 -4.180 -3.298 7.369 1.00 0.00 C ATOM 505 OE1 GLN A 38 -3.377 -2.742 8.100 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.104 -4.155 7.794 1.00 0.00 N ATOM 0 H GLN A 38 -0.122 -3.191 4.764 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.305 -4.709 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.302 -2.044 5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.861 -2.335 4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.857 -2.217 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.616 -3.931 5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.746 -4.585 7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.171 -4.382 8.786 1.00 0.00 H new ATOM 515 N CYS A 39 -1.505 -4.258 2.912 1.00 0.00 N ATOM 516 CA CYS A 39 -1.601 -4.843 1.585 1.00 0.00 C ATOM 517 C CYS A 39 -0.241 -5.445 1.226 1.00 0.00 C ATOM 518 O CYS A 39 -0.163 -6.383 0.435 1.00 0.00 O ATOM 519 CB CYS A 39 -2.064 -3.818 0.547 1.00 0.00 C ATOM 520 SG CYS A 39 -3.236 -4.466 -0.700 1.00 0.00 S ATOM 0 H CYS A 39 -0.905 -3.436 2.973 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.356 -5.629 1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.533 -2.982 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.189 -3.423 0.032 1.00 0.00 H new ATOM 525 N PHE A 40 0.797 -4.879 1.825 1.00 0.00 N ATOM 526 CA PHE A 40 2.150 -5.348 1.578 1.00 0.00 C ATOM 527 C PHE A 40 2.937 -5.466 2.885 1.00 0.00 C ATOM 528 O PHE A 40 2.375 -5.307 3.968 1.00 0.00 O ATOM 529 CB PHE A 40 2.827 -4.310 0.681 1.00 0.00 C ATOM 530 CG PHE A 40 1.872 -3.602 -0.282 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.184 -2.503 0.127 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.711 -4.073 -1.548 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.297 -1.846 -0.767 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.824 -3.417 -2.442 1.00 0.00 C ATOM 535 CZ PHE A 40 0.136 -2.317 -2.033 1.00 0.00 C ATOM 0 H PHE A 40 0.728 -4.100 2.480 1.00 0.00 H new ATOM 0 HA PHE A 40 2.123 -6.333 1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.313 -3.563 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.611 -4.800 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.312 -2.129 1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.258 -4.946 -1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.249 -0.973 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.696 -3.791 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.538 -1.818 -2.713 1.00 0.00 H new ATOM 545 N SER A 41 4.224 -5.744 2.741 1.00 0.00 N ATOM 546 CA SER A 41 5.093 -5.886 3.896 1.00 0.00 C ATOM 547 C SER A 41 6.524 -5.488 3.527 1.00 0.00 C ATOM 548 O SER A 41 6.899 -5.522 2.356 1.00 0.00 O ATOM 549 CB SER A 41 5.063 -7.317 4.437 1.00 0.00 C ATOM 550 OG SER A 41 6.373 -7.855 4.596 1.00 0.00 O ATOM 0 H SER A 41 4.686 -5.875 1.841 1.00 0.00 H new ATOM 0 HA SER A 41 4.729 -5.223 4.680 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.546 -7.331 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.491 -7.949 3.758 1.00 0.00 H new ATOM 0 HG SER A 41 6.701 -8.179 3.731 1.00 0.00 H new ATOM 556 N PHE A 42 7.284 -5.120 4.548 1.00 0.00 N ATOM 557 CA PHE A 42 8.665 -4.716 4.345 1.00 0.00 C ATOM 558 C PHE A 42 9.455 -5.808 3.620 1.00 0.00 C ATOM 559 O PHE A 42 9.095 -6.983 3.680 1.00 0.00 O ATOM 560 CB PHE A 42 9.275 -4.497 5.731 1.00 0.00 C ATOM 561 CG PHE A 42 9.955 -3.137 5.903 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.206 -2.003 5.953 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.310 -3.063 6.006 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.838 -0.742 6.113 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.941 -1.801 6.167 1.00 0.00 C ATOM 566 CZ PHE A 42 11.192 -0.667 6.217 1.00 0.00 C ATOM 0 H PHE A 42 6.970 -5.093 5.518 1.00 0.00 H new ATOM 0 HA PHE A 42 8.703 -3.813 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.491 -4.598 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.004 -5.284 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.131 -2.062 5.871 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.905 -3.963 5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.243 0.159 6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.016 -1.742 6.250 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.672 0.293 6.339 1.00 0.00 H new ATOM 576 N PRO A 43 10.544 -5.370 2.934 1.00 0.00 N ATOM 577 CA PRO A 43 10.899 -3.961 2.914 1.00 0.00 C ATOM 578 C PRO A 43 9.962 -3.171 1.998 1.00 0.00 C ATOM 579 O PRO A 43 10.196 -1.994 1.730 1.00 0.00 O ATOM 580 CB PRO A 43 12.347 -3.927 2.453 1.00 0.00 C ATOM 581 CG PRO A 43 12.605 -5.270 1.789 1.00 0.00 C ATOM 582 CD PRO A 43 11.463 -6.201 2.161 1.00 0.00 C ATOM 0 HA PRO A 43 10.794 -3.487 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.515 -3.107 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.021 -3.772 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.667 -5.155 0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.558 -5.683 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.978 -6.607 1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.818 -7.049 2.747 1.00 0.00 H new ATOM 590 N VAL A 44 8.920 -3.852 1.543 1.00 0.00 N ATOM 591 CA VAL A 44 7.946 -3.229 0.662 1.00 0.00 C ATOM 592 C VAL A 44 7.117 -2.220 1.459 1.00 0.00 C ATOM 593 O VAL A 44 6.785 -1.148 0.956 1.00 0.00 O ATOM 594 CB VAL A 44 7.092 -4.302 -0.016 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.490 -3.779 -1.322 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.904 -5.576 -0.258 1.00 0.00 C ATOM 0 H VAL A 44 8.729 -4.828 1.768 1.00 0.00 H new ATOM 0 HA VAL A 44 8.447 -2.680 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 44 6.270 -4.551 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.888 -4.561 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.862 -2.913 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.291 -3.489 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.274 -6.323 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.755 -5.349 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.263 -5.965 0.695 1.00 0.00 H new ATOM 606 N SER A 45 6.805 -2.599 2.690 1.00 0.00 N ATOM 607 CA SER A 45 6.021 -1.741 3.562 1.00 0.00 C ATOM 608 C SER A 45 6.634 -0.340 3.606 1.00 0.00 C ATOM 609 O SER A 45 5.952 0.629 3.937 1.00 0.00 O ATOM 610 CB SER A 45 5.929 -2.326 4.973 1.00 0.00 C ATOM 611 OG SER A 45 6.110 -1.330 5.976 1.00 0.00 O ATOM 0 H SER A 45 7.081 -3.489 3.104 1.00 0.00 H new ATOM 0 HA SER A 45 5.010 -1.676 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.957 -2.802 5.106 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.684 -3.103 5.093 1.00 0.00 H new ATOM 0 HG SER A 45 5.424 -1.434 6.668 1.00 0.00 H new ATOM 617 N GLN A 46 7.913 -0.278 3.269 1.00 0.00 N ATOM 618 CA GLN A 46 8.626 0.989 3.267 1.00 0.00 C ATOM 619 C GLN A 46 8.268 1.797 2.018 1.00 0.00 C ATOM 620 O GLN A 46 8.251 3.026 2.053 1.00 0.00 O ATOM 621 CB GLN A 46 10.137 0.768 3.362 1.00 0.00 C ATOM 622 CG GLN A 46 10.820 1.945 4.061 1.00 0.00 C ATOM 623 CD GLN A 46 12.167 2.263 3.408 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.586 1.635 2.450 1.00 0.00 O ATOM 625 NE2 GLN A 46 12.819 3.272 3.979 1.00 0.00 N ATOM 0 H GLN A 46 8.475 -1.084 2.995 1.00 0.00 H new ATOM 0 HA GLN A 46 8.319 1.558 4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.340 -0.152 3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.553 0.643 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.175 2.822 4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.969 1.710 5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.411 3.755 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.727 3.562 3.617 1.00 0.00 H new ATOM 634 N SER A 47 7.990 1.073 0.943 1.00 0.00 N ATOM 635 CA SER A 47 7.633 1.708 -0.315 1.00 0.00 C ATOM 636 C SER A 47 6.186 2.202 -0.259 1.00 0.00 C ATOM 637 O SER A 47 5.869 3.264 -0.792 1.00 0.00 O ATOM 638 CB SER A 47 7.821 0.746 -1.489 1.00 0.00 C ATOM 639 OG SER A 47 8.960 -0.093 -1.316 1.00 0.00 O ATOM 0 H SER A 47 8.005 0.053 0.917 1.00 0.00 H new ATOM 0 HA SER A 47 8.295 2.560 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.929 0.129 -1.598 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.928 1.317 -2.411 1.00 0.00 H new ATOM 0 HG SER A 47 9.044 -0.693 -2.086 1.00 0.00 H new ATOM 645 N CYS A 48 5.348 1.408 0.390 1.00 0.00 N ATOM 646 CA CYS A 48 3.942 1.751 0.522 1.00 0.00 C ATOM 647 C CYS A 48 3.845 3.155 1.123 1.00 0.00 C ATOM 648 O CYS A 48 3.136 4.011 0.596 1.00 0.00 O ATOM 649 CB CYS A 48 3.183 0.719 1.358 1.00 0.00 C ATOM 650 SG CYS A 48 1.718 1.371 2.239 1.00 0.00 S ATOM 0 H CYS A 48 5.615 0.528 0.830 1.00 0.00 H new ATOM 0 HA CYS A 48 3.470 1.743 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.865 -0.093 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.868 0.290 2.089 1.00 0.00 H new ATOM 655 N ALA A 49 4.567 3.347 2.217 1.00 0.00 N ATOM 656 CA ALA A 49 4.571 4.632 2.895 1.00 0.00 C ATOM 657 C ALA A 49 5.358 5.643 2.058 1.00 0.00 C ATOM 658 O ALA A 49 5.157 6.850 2.186 1.00 0.00 O ATOM 659 CB ALA A 49 5.149 4.466 4.302 1.00 0.00 C ATOM 0 H ALA A 49 5.153 2.634 2.651 1.00 0.00 H new ATOM 0 HA ALA A 49 3.555 5.012 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.152 5.430 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.538 3.761 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.169 4.089 4.234 1.00 0.00 H new ATOM 665 N GLY A 50 6.236 5.113 1.219 1.00 0.00 N ATOM 666 CA GLY A 50 7.053 5.954 0.361 1.00 0.00 C ATOM 667 C GLY A 50 6.228 6.526 -0.794 1.00 0.00 C ATOM 668 O GLY A 50 6.218 7.736 -1.015 1.00 0.00 O ATOM 0 H GLY A 50 6.399 4.112 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.481 6.769 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.887 5.374 -0.035 1.00 0.00 H new ATOM 672 N MET A 51 5.555 5.628 -1.499 1.00 0.00 N ATOM 673 CA MET A 51 4.728 6.028 -2.625 1.00 0.00 C ATOM 674 C MET A 51 3.321 6.412 -2.164 1.00 0.00 C ATOM 675 O MET A 51 2.375 6.376 -2.949 1.00 0.00 O ATOM 676 CB MET A 51 4.641 4.876 -3.629 1.00 0.00 C ATOM 677 CG MET A 51 4.193 5.379 -5.003 1.00 0.00 C ATOM 678 SD MET A 51 5.468 6.399 -5.725 1.00 0.00 S ATOM 679 CE MET A 51 4.656 7.988 -5.679 1.00 0.00 C ATOM 0 H MET A 51 5.566 4.625 -1.312 1.00 0.00 H new ATOM 0 HA MET A 51 5.185 6.898 -3.096 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.613 4.390 -3.715 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.939 4.125 -3.266 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.978 4.534 -5.657 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.270 5.950 -4.907 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.405 8.780 -5.697 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.002 8.087 -6.545 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.065 8.068 -4.767 1.00 0.00 H new ATOM 689 N ALA A 52 3.227 6.770 -0.891 1.00 0.00 N ATOM 690 CA ALA A 52 1.951 7.159 -0.316 1.00 0.00 C ATOM 691 C ALA A 52 1.720 8.652 -0.562 1.00 0.00 C ATOM 692 O ALA A 52 1.273 9.370 0.331 1.00 0.00 O ATOM 693 CB ALA A 52 1.932 6.804 1.172 1.00 0.00 C ATOM 0 H ALA A 52 4.014 6.799 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 52 1.134 6.616 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.975 7.096 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.071 5.730 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.737 7.333 1.683 1.00 0.00 H new ATOM 699 N ASP A 53 2.034 9.074 -1.778 1.00 0.00 N ATOM 700 CA ASP A 53 1.866 10.468 -2.153 1.00 0.00 C ATOM 701 C ASP A 53 2.605 11.354 -1.148 1.00 0.00 C ATOM 702 O ASP A 53 3.065 10.875 -0.113 1.00 0.00 O ATOM 703 CB ASP A 53 0.390 10.867 -2.140 1.00 0.00 C ATOM 704 CG ASP A 53 0.062 12.154 -2.901 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.027 12.812 -3.345 1.00 0.00 O ATOM 706 OD2 ASP A 53 -1.147 12.450 -3.020 1.00 0.00 O ATOM 0 H ASP A 53 2.404 8.475 -2.516 1.00 0.00 H new ATOM 0 HA ASP A 53 2.265 10.598 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.195 10.052 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.069 10.983 -1.105 1.00 0.00 H new ATOM 711 N SER A 54 2.695 12.631 -1.488 1.00 0.00 N ATOM 712 CA SER A 54 3.369 13.589 -0.628 1.00 0.00 C ATOM 713 C SER A 54 2.340 14.398 0.163 1.00 0.00 C ATOM 714 O SER A 54 1.968 14.020 1.273 1.00 0.00 O ATOM 715 CB SER A 54 4.266 14.524 -1.442 1.00 0.00 C ATOM 716 OG SER A 54 5.635 14.128 -1.392 1.00 0.00 O ATOM 0 H SER A 54 2.312 13.025 -2.348 1.00 0.00 H new ATOM 0 HA SER A 54 4.001 13.037 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.930 14.537 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.169 15.541 -1.063 1.00 0.00 H new ATOM 0 HG SER A 54 6.175 14.749 -1.925 1.00 0.00 H new ATOM 722 N ASN A 55 1.907 15.496 -0.439 1.00 0.00 N ATOM 723 CA ASN A 55 0.928 16.361 0.196 1.00 0.00 C ATOM 724 C ASN A 55 -0.351 16.378 -0.644 1.00 0.00 C ATOM 725 O ASN A 55 -1.370 16.919 -0.218 1.00 0.00 O ATOM 726 CB ASN A 55 1.445 17.797 0.297 1.00 0.00 C ATOM 727 CG ASN A 55 1.170 18.382 1.684 1.00 0.00 C ATOM 728 OD1 ASN A 55 1.804 18.039 2.668 1.00 0.00 O ATOM 729 ND2 ASN A 55 0.192 19.283 1.707 1.00 0.00 N ATOM 0 H ASN A 55 2.216 15.806 -1.360 1.00 0.00 H new ATOM 0 HA ASN A 55 0.736 15.975 1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.516 17.817 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.966 18.414 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.067 19.732 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.299 19.525 0.846 1.00 0.00 H new ATOM 736 N ASP A 56 -0.256 15.778 -1.821 1.00 0.00 N ATOM 737 CA ASP A 56 -1.393 15.717 -2.724 1.00 0.00 C ATOM 738 C ASP A 56 -2.395 14.683 -2.207 1.00 0.00 C ATOM 739 O ASP A 56 -3.468 14.511 -2.782 1.00 0.00 O ATOM 740 CB ASP A 56 -0.959 15.294 -4.129 1.00 0.00 C ATOM 741 CG ASP A 56 0.082 16.203 -4.785 1.00 0.00 C ATOM 742 OD1 ASP A 56 0.345 17.277 -4.203 1.00 0.00 O ATOM 743 OD2 ASP A 56 0.590 15.804 -5.855 1.00 0.00 O ATOM 0 H ASP A 56 0.591 15.330 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.841 16.710 -2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.556 14.282 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.840 15.255 -4.769 1.00 0.00 H new ATOM 748 N CYS A 57 -2.008 14.020 -1.127 1.00 0.00 N ATOM 749 CA CYS A 57 -2.858 13.007 -0.526 1.00 0.00 C ATOM 750 C CYS A 57 -3.869 13.706 0.385 1.00 0.00 C ATOM 751 O CYS A 57 -3.619 14.812 0.862 1.00 0.00 O ATOM 752 CB CYS A 57 -2.041 11.957 0.229 1.00 0.00 C ATOM 753 SG CYS A 57 -2.295 10.234 -0.335 1.00 0.00 S ATOM 0 H CYS A 57 -1.117 14.165 -0.653 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.389 12.465 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.983 12.203 0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.289 12.018 1.289 1.00 0.00 H new ATOM 758 N PRO A 58 -5.020 13.015 0.604 1.00 0.00 N ATOM 759 CA PRO A 58 -6.069 13.559 1.450 1.00 0.00 C ATOM 760 C PRO A 58 -5.688 13.462 2.928 1.00 0.00 C ATOM 761 O PRO A 58 -6.422 12.879 3.725 1.00 0.00 O ATOM 762 CB PRO A 58 -7.311 12.753 1.102 1.00 0.00 C ATOM 763 CG PRO A 58 -6.810 11.489 0.422 1.00 0.00 C ATOM 764 CD PRO A 58 -5.351 11.703 0.056 1.00 0.00 C ATOM 0 HA PRO A 58 -6.239 14.622 1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.885 12.514 1.997 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.970 13.317 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.915 10.631 1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.400 11.276 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.718 10.925 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.206 11.677 -1.024 1.00 0.00 H new ATOM 772 N ASN A 59 -4.541 14.042 3.250 1.00 0.00 N ATOM 773 CA ASN A 59 -4.054 14.028 4.619 1.00 0.00 C ATOM 774 C ASN A 59 -4.290 15.400 5.253 1.00 0.00 C ATOM 775 O ASN A 59 -4.630 16.358 4.561 1.00 0.00 O ATOM 776 CB ASN A 59 -2.552 13.738 4.666 1.00 0.00 C ATOM 777 CG ASN A 59 -2.285 12.231 4.665 1.00 0.00 C ATOM 778 OD1 ASN A 59 -2.222 11.586 3.631 1.00 0.00 O ATOM 779 ND2 ASN A 59 -2.132 11.708 5.878 1.00 0.00 N ATOM 0 H ASN A 59 -3.935 14.525 2.587 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.589 13.248 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.062 14.198 3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.119 14.187 5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.950 10.710 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.197 12.305 6.703 1.00 0.00 H new ATOM 786 N ALA A 60 -4.100 15.451 6.564 1.00 0.00 N ATOM 787 CA ALA A 60 -4.288 16.690 7.299 1.00 0.00 C ATOM 788 C ALA A 60 -5.590 17.355 6.846 1.00 0.00 C ATOM 789 O ALA A 60 -6.421 17.728 7.672 1.00 0.00 O ATOM 790 CB ALA A 60 -3.071 17.594 7.097 1.00 0.00 C ATOM 0 H ALA A 60 -3.818 14.654 7.135 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.373 16.492 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.213 18.523 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.177 17.088 7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.955 17.816 6.036 1.00 0.00 H new TER 796 ALA A 60