USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 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 16 TYR OH : rot -160:sc= 0.615 USER MOD Set 1.2: A 23 GLN : amide:sc= -0.762 K(o=-0.15,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0914 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -104:sc= 0.542 USER MOD Single : A 25 SER OG : rot 39:sc= 0.00353 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00757 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 31:sc= 0.0694 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.02! C(o=-2!,f=-5.2!) USER MOD Single : A 58 HIS : no HD1:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -63:sc= 0.396 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.545 4.941 -13.961 1.00 0.00 N ATOM 2 CA GLY A 1 -10.939 6.304 -13.650 1.00 0.00 C ATOM 3 C GLY A 1 -10.819 7.204 -14.882 1.00 0.00 C ATOM 4 O GLY A 1 -10.245 6.804 -15.894 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.394 4.357 -14.099 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.975 4.934 -14.831 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.983 4.554 -13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.966 6.315 -13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.312 6.694 -12.848 1.00 0.00 H new ATOM 8 N SER A 2 -11.370 8.402 -14.756 1.00 0.00 N ATOM 9 CA SER A 2 -11.333 9.362 -15.846 1.00 0.00 C ATOM 10 C SER A 2 -10.190 10.356 -15.629 1.00 0.00 C ATOM 11 O SER A 2 -9.143 10.253 -16.268 1.00 0.00 O ATOM 12 CB SER A 2 -12.664 10.104 -15.973 1.00 0.00 C ATOM 13 OG SER A 2 -13.195 10.027 -17.293 1.00 0.00 O ATOM 0 H SER A 2 -11.845 8.730 -13.915 1.00 0.00 H new ATOM 0 HA SER A 2 -11.162 8.818 -16.775 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.382 9.684 -15.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.524 11.150 -15.699 1.00 0.00 H new ATOM 0 HG SER A 2 -14.046 10.512 -17.332 1.00 0.00 H new ATOM 19 N SER A 3 -10.428 11.295 -14.726 1.00 0.00 N ATOM 20 CA SER A 3 -9.432 12.307 -14.417 1.00 0.00 C ATOM 21 C SER A 3 -9.425 12.593 -12.914 1.00 0.00 C ATOM 22 O SER A 3 -10.479 12.629 -12.281 1.00 0.00 O ATOM 23 CB SER A 3 -9.692 13.594 -15.201 1.00 0.00 C ATOM 24 OG SER A 3 -9.359 13.456 -16.580 1.00 0.00 O ATOM 0 H SER A 3 -11.297 11.377 -14.198 1.00 0.00 H new ATOM 0 HA SER A 3 -8.455 11.925 -14.712 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.742 13.869 -15.108 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.110 14.407 -14.767 1.00 0.00 H new ATOM 0 HG SER A 3 -9.541 14.299 -17.046 1.00 0.00 H new ATOM 30 N GLY A 4 -8.226 12.789 -12.386 1.00 0.00 N ATOM 31 CA GLY A 4 -8.068 13.071 -10.970 1.00 0.00 C ATOM 32 C GLY A 4 -7.172 12.028 -10.299 1.00 0.00 C ATOM 33 O GLY A 4 -6.473 11.277 -10.978 1.00 0.00 O ATOM 0 H GLY A 4 -7.354 12.758 -12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.637 14.064 -10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.045 13.081 -10.487 1.00 0.00 H new ATOM 37 N SER A 5 -7.221 12.015 -8.975 1.00 0.00 N ATOM 38 CA SER A 5 -6.421 11.077 -8.206 1.00 0.00 C ATOM 39 C SER A 5 -6.691 9.648 -8.681 1.00 0.00 C ATOM 40 O SER A 5 -7.811 9.320 -9.069 1.00 0.00 O ATOM 41 CB SER A 5 -6.713 11.203 -6.709 1.00 0.00 C ATOM 42 OG SER A 5 -8.048 10.818 -6.391 1.00 0.00 O ATOM 0 H SER A 5 -7.802 12.639 -8.415 1.00 0.00 H new ATOM 0 HA SER A 5 -5.369 11.313 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.014 10.582 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.548 12.233 -6.393 1.00 0.00 H new ATOM 0 HG SER A 5 -8.194 10.911 -5.426 1.00 0.00 H new ATOM 48 N SER A 6 -5.645 8.836 -8.634 1.00 0.00 N ATOM 49 CA SER A 6 -5.755 7.449 -9.055 1.00 0.00 C ATOM 50 C SER A 6 -5.109 6.534 -8.013 1.00 0.00 C ATOM 51 O SER A 6 -3.921 6.228 -8.101 1.00 0.00 O ATOM 52 CB SER A 6 -5.105 7.236 -10.424 1.00 0.00 C ATOM 53 OG SER A 6 -5.569 8.178 -11.387 1.00 0.00 O ATOM 0 H SER A 6 -4.718 9.112 -8.311 1.00 0.00 H new ATOM 0 HA SER A 6 -6.813 7.200 -9.142 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.022 7.319 -10.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.318 6.226 -10.773 1.00 0.00 H new ATOM 0 HG SER A 6 -5.130 8.010 -12.247 1.00 0.00 H new ATOM 59 N GLY A 7 -5.920 6.122 -7.049 1.00 0.00 N ATOM 60 CA GLY A 7 -5.443 5.248 -5.992 1.00 0.00 C ATOM 61 C GLY A 7 -4.529 6.004 -5.026 1.00 0.00 C ATOM 62 O GLY A 7 -4.426 7.228 -5.093 1.00 0.00 O ATOM 0 H GLY A 7 -6.905 6.378 -6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.291 4.834 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.903 4.407 -6.427 1.00 0.00 H new ATOM 66 N GLU A 8 -3.889 5.244 -4.150 1.00 0.00 N ATOM 67 CA GLU A 8 -2.986 5.827 -3.171 1.00 0.00 C ATOM 68 C GLU A 8 -1.598 5.194 -3.286 1.00 0.00 C ATOM 69 O GLU A 8 -1.451 3.982 -3.142 1.00 0.00 O ATOM 70 CB GLU A 8 -3.542 5.676 -1.754 1.00 0.00 C ATOM 71 CG GLU A 8 -4.697 6.649 -1.511 1.00 0.00 C ATOM 72 CD GLU A 8 -4.248 7.828 -0.646 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.099 8.277 -0.850 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.063 8.255 0.200 1.00 0.00 O ATOM 0 H GLU A 8 -3.977 4.229 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.896 6.893 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.886 4.653 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.750 5.858 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.074 7.016 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.520 6.127 -1.022 1.00 0.00 H new ATOM 81 N GLU A 9 -0.615 6.044 -3.544 1.00 0.00 N ATOM 82 CA GLU A 9 0.756 5.583 -3.680 1.00 0.00 C ATOM 83 C GLU A 9 1.375 5.345 -2.301 1.00 0.00 C ATOM 84 O GLU A 9 1.735 6.294 -1.606 1.00 0.00 O ATOM 85 CB GLU A 9 1.591 6.576 -4.491 1.00 0.00 C ATOM 86 CG GLU A 9 1.965 5.992 -5.855 1.00 0.00 C ATOM 87 CD GLU A 9 1.614 6.965 -6.983 1.00 0.00 C ATOM 88 OE1 GLU A 9 2.374 7.944 -7.145 1.00 0.00 O ATOM 89 OE2 GLU A 9 0.594 6.706 -7.658 1.00 0.00 O ATOM 0 H GLU A 9 -0.741 7.049 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 9 0.748 4.637 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.031 7.501 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.496 6.831 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.032 5.771 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.440 5.049 -6.007 1.00 0.00 H new ATOM 96 N PHE A 10 1.480 4.073 -1.947 1.00 0.00 N ATOM 97 CA PHE A 10 2.049 3.698 -0.663 1.00 0.00 C ATOM 98 C PHE A 10 3.447 3.101 -0.837 1.00 0.00 C ATOM 99 O PHE A 10 3.806 2.658 -1.927 1.00 0.00 O ATOM 100 CB PHE A 10 1.126 2.639 -0.057 1.00 0.00 C ATOM 101 CG PHE A 10 0.014 3.212 0.823 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.089 3.765 0.252 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.129 3.170 2.178 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.121 4.297 1.069 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.903 3.702 2.995 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.006 4.254 2.423 1.00 0.00 C ATOM 0 H PHE A 10 1.181 3.289 -2.526 1.00 0.00 H new ATOM 0 HA PHE A 10 2.135 4.576 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.675 2.061 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.724 1.947 0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.180 3.800 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.005 2.732 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.997 4.736 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.812 3.668 4.071 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.791 4.659 3.045 1.00 0.00 H new ATOM 116 N VAL A 11 4.198 3.107 0.255 1.00 0.00 N ATOM 117 CA VAL A 11 5.549 2.572 0.237 1.00 0.00 C ATOM 118 C VAL A 11 5.658 1.442 1.262 1.00 0.00 C ATOM 119 O VAL A 11 5.162 1.564 2.381 1.00 0.00 O ATOM 120 CB VAL A 11 6.560 3.695 0.475 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.815 3.164 1.171 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.916 4.398 -0.836 1.00 0.00 C ATOM 0 H VAL A 11 3.896 3.474 1.158 1.00 0.00 H new ATOM 0 HA VAL A 11 5.779 2.148 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 11 6.097 4.429 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.518 3.982 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.542 2.730 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.281 2.401 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.636 5.192 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.351 3.677 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.015 4.826 -1.276 1.00 0.00 H new ATOM 132 N ALA A 12 6.311 0.367 0.844 1.00 0.00 N ATOM 133 CA ALA A 12 6.492 -0.783 1.713 1.00 0.00 C ATOM 134 C ALA A 12 7.488 -0.431 2.819 1.00 0.00 C ATOM 135 O ALA A 12 8.648 -0.127 2.541 1.00 0.00 O ATOM 136 CB ALA A 12 6.945 -1.985 0.881 1.00 0.00 C ATOM 0 H ALA A 12 6.721 0.269 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 12 5.551 -1.053 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.081 -2.848 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.189 -2.213 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.888 -1.751 0.387 1.00 0.00 H new ATOM 142 N ILE A 13 7.001 -0.483 4.049 1.00 0.00 N ATOM 143 CA ILE A 13 7.834 -0.173 5.198 1.00 0.00 C ATOM 144 C ILE A 13 8.912 -1.249 5.347 1.00 0.00 C ATOM 145 O ILE A 13 9.919 -1.036 6.020 1.00 0.00 O ATOM 146 CB ILE A 13 6.974 0.013 6.450 1.00 0.00 C ATOM 147 CG1 ILE A 13 6.181 -1.258 6.763 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.066 1.237 6.315 1.00 0.00 C ATOM 149 CD1 ILE A 13 6.089 -1.488 8.273 1.00 0.00 C ATOM 0 H ILE A 13 6.039 -0.735 4.276 1.00 0.00 H new ATOM 0 HA ILE A 13 8.349 0.776 5.049 1.00 0.00 H new ATOM 0 HB ILE A 13 7.636 0.196 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.179 -1.179 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.659 -2.115 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.466 1.346 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.676 2.129 6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.408 1.109 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.521 -2.397 8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.092 -1.591 8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.589 -0.640 8.740 1.00 0.00 H new ATOM 161 N ALA A 14 8.663 -2.382 4.707 1.00 0.00 N ATOM 162 CA ALA A 14 9.599 -3.492 4.760 1.00 0.00 C ATOM 163 C ALA A 14 9.292 -4.468 3.621 1.00 0.00 C ATOM 164 O ALA A 14 8.151 -4.562 3.171 1.00 0.00 O ATOM 165 CB ALA A 14 9.525 -4.159 6.135 1.00 0.00 C ATOM 0 H ALA A 14 7.827 -2.555 4.149 1.00 0.00 H new ATOM 0 HA ALA A 14 10.621 -3.138 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.227 -4.992 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.781 -3.432 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.514 -4.529 6.306 1.00 0.00 H new ATOM 171 N ASP A 15 10.329 -5.169 3.189 1.00 0.00 N ATOM 172 CA ASP A 15 10.184 -6.134 2.112 1.00 0.00 C ATOM 173 C ASP A 15 9.163 -7.197 2.520 1.00 0.00 C ATOM 174 O ASP A 15 9.127 -7.617 3.676 1.00 0.00 O ATOM 175 CB ASP A 15 11.511 -6.838 1.821 1.00 0.00 C ATOM 176 CG ASP A 15 11.893 -7.934 2.818 1.00 0.00 C ATOM 177 OD1 ASP A 15 11.794 -7.656 4.033 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.275 -9.025 2.343 1.00 0.00 O ATOM 0 H ASP A 15 11.274 -5.088 3.565 1.00 0.00 H new ATOM 0 HA ASP A 15 9.858 -5.598 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.462 -7.276 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.305 -6.091 1.803 1.00 0.00 H new ATOM 183 N TYR A 16 8.359 -7.604 1.549 1.00 0.00 N ATOM 184 CA TYR A 16 7.340 -8.610 1.793 1.00 0.00 C ATOM 185 C TYR A 16 7.382 -9.703 0.723 1.00 0.00 C ATOM 186 O TYR A 16 7.812 -9.459 -0.403 1.00 0.00 O ATOM 187 CB TYR A 16 5.998 -7.881 1.708 1.00 0.00 C ATOM 188 CG TYR A 16 4.781 -8.805 1.803 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.323 -9.217 3.038 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.142 -9.225 0.654 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.178 -10.086 3.127 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.997 -10.093 0.744 1.00 0.00 C ATOM 193 CZ TYR A 16 2.572 -10.481 1.976 1.00 0.00 C ATOM 194 OH TYR A 16 1.490 -11.302 2.060 1.00 0.00 O ATOM 0 H TYR A 16 8.393 -7.255 0.591 1.00 0.00 H new ATOM 0 HA TYR A 16 7.496 -9.087 2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.945 -7.144 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.953 -7.333 0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.823 -8.888 3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.501 -8.903 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.809 -10.416 4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.487 -10.428 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 16 1.355 -11.754 1.201 1.00 0.00 H new ATOM 204 N ALA A 17 6.929 -10.886 1.113 1.00 0.00 N ATOM 205 CA ALA A 17 6.910 -12.017 0.201 1.00 0.00 C ATOM 206 C ALA A 17 5.511 -12.636 0.193 1.00 0.00 C ATOM 207 O ALA A 17 5.075 -13.208 1.191 1.00 0.00 O ATOM 208 CB ALA A 17 7.990 -13.022 0.610 1.00 0.00 C ATOM 0 H ALA A 17 6.573 -11.085 2.048 1.00 0.00 H new ATOM 0 HA ALA A 17 7.134 -11.694 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.975 -13.870 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.968 -12.541 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.797 -13.371 1.624 1.00 0.00 H new ATOM 214 N ALA A 18 4.846 -12.502 -0.945 1.00 0.00 N ATOM 215 CA ALA A 18 3.505 -13.041 -1.096 1.00 0.00 C ATOM 216 C ALA A 18 3.509 -14.522 -0.712 1.00 0.00 C ATOM 217 O ALA A 18 4.220 -15.322 -1.317 1.00 0.00 O ATOM 218 CB ALA A 18 3.021 -12.812 -2.530 1.00 0.00 C ATOM 0 H ALA A 18 5.211 -12.028 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 18 2.809 -12.530 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.015 -13.216 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.009 -11.743 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.694 -13.313 -3.226 1.00 0.00 H new ATOM 224 N THR A 19 2.706 -14.841 0.293 1.00 0.00 N ATOM 225 CA THR A 19 2.608 -16.212 0.765 1.00 0.00 C ATOM 226 C THR A 19 1.755 -17.046 -0.193 1.00 0.00 C ATOM 227 O THR A 19 1.930 -18.260 -0.288 1.00 0.00 O ATOM 228 CB THR A 19 2.063 -16.182 2.194 1.00 0.00 C ATOM 229 OG1 THR A 19 3.212 -16.395 3.009 1.00 0.00 O ATOM 230 CG2 THR A 19 1.160 -17.378 2.503 1.00 0.00 C ATOM 0 H THR A 19 2.118 -14.174 0.793 1.00 0.00 H new ATOM 0 HA THR A 19 3.585 -16.695 0.784 1.00 0.00 H new ATOM 0 HB THR A 19 1.506 -15.258 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.949 -16.389 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.801 -17.307 3.530 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.310 -17.378 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.725 -18.302 2.379 1.00 0.00 H new ATOM 238 N ASP A 20 0.851 -16.362 -0.878 1.00 0.00 N ATOM 239 CA ASP A 20 -0.030 -17.025 -1.825 1.00 0.00 C ATOM 240 C ASP A 20 0.244 -16.488 -3.231 1.00 0.00 C ATOM 241 O ASP A 20 1.011 -15.542 -3.399 1.00 0.00 O ATOM 242 CB ASP A 20 -1.499 -16.756 -1.493 1.00 0.00 C ATOM 243 CG ASP A 20 -2.460 -17.893 -1.843 1.00 0.00 C ATOM 244 OD1 ASP A 20 -2.017 -19.059 -1.752 1.00 0.00 O ATOM 245 OD2 ASP A 20 -3.616 -17.572 -2.194 1.00 0.00 O ATOM 0 H ASP A 20 0.709 -15.355 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 20 0.161 -18.097 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.582 -16.546 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.816 -15.857 -2.021 1.00 0.00 H new ATOM 250 N GLU A 21 -0.399 -17.116 -4.205 1.00 0.00 N ATOM 251 CA GLU A 21 -0.235 -16.712 -5.591 1.00 0.00 C ATOM 252 C GLU A 21 -1.285 -15.666 -5.967 1.00 0.00 C ATOM 253 O GLU A 21 -1.534 -15.427 -7.148 1.00 0.00 O ATOM 254 CB GLU A 21 -0.306 -17.922 -6.526 1.00 0.00 C ATOM 255 CG GLU A 21 -1.684 -18.584 -6.462 1.00 0.00 C ATOM 256 CD GLU A 21 -1.860 -19.595 -7.596 1.00 0.00 C ATOM 257 OE1 GLU A 21 -1.334 -19.313 -8.694 1.00 0.00 O ATOM 258 OE2 GLU A 21 -2.517 -20.627 -7.340 1.00 0.00 O ATOM 0 H GLU A 21 -1.034 -17.901 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 21 0.752 -16.264 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.096 -17.609 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.462 -18.645 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.807 -19.085 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.461 -17.822 -6.526 1.00 0.00 H new ATOM 265 N THR A 22 -1.873 -15.068 -4.941 1.00 0.00 N ATOM 266 CA THR A 22 -2.891 -14.052 -5.149 1.00 0.00 C ATOM 267 C THR A 22 -2.478 -12.739 -4.483 1.00 0.00 C ATOM 268 O THR A 22 -3.258 -11.789 -4.437 1.00 0.00 O ATOM 269 CB THR A 22 -4.222 -14.604 -4.633 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.981 -14.855 -3.251 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.548 -15.982 -5.211 1.00 0.00 C ATOM 0 H THR A 22 -1.664 -15.268 -3.963 1.00 0.00 H new ATOM 0 HA THR A 22 -3.008 -13.820 -6.208 1.00 0.00 H new ATOM 0 HB THR A 22 -5.024 -13.908 -4.880 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.874 -15.818 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.502 -16.327 -4.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.611 -15.915 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.763 -16.687 -4.936 1.00 0.00 H new ATOM 279 N GLN A 23 -1.251 -12.727 -3.983 1.00 0.00 N ATOM 280 CA GLN A 23 -0.724 -11.545 -3.321 1.00 0.00 C ATOM 281 C GLN A 23 0.336 -10.874 -4.196 1.00 0.00 C ATOM 282 O GLN A 23 0.756 -11.434 -5.208 1.00 0.00 O ATOM 283 CB GLN A 23 -0.157 -11.895 -1.944 1.00 0.00 C ATOM 284 CG GLN A 23 -1.280 -12.110 -0.927 1.00 0.00 C ATOM 285 CD GLN A 23 -0.852 -13.097 0.162 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.090 -12.873 0.904 1.00 0.00 O ATOM 287 NE2 GLN A 23 -1.596 -14.198 0.215 1.00 0.00 N ATOM 0 H GLN A 23 -0.607 -13.517 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.543 -10.841 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.451 -12.797 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.499 -11.094 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.552 -11.157 -0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.168 -12.486 -1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.371 -14.322 -0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.392 -14.919 0.908 1.00 0.00 H new ATOM 296 N LEU A 24 0.739 -9.684 -3.776 1.00 0.00 N ATOM 297 CA LEU A 24 1.742 -8.931 -4.509 1.00 0.00 C ATOM 298 C LEU A 24 3.033 -8.877 -3.689 1.00 0.00 C ATOM 299 O LEU A 24 2.990 -8.770 -2.464 1.00 0.00 O ATOM 300 CB LEU A 24 1.201 -7.554 -4.896 1.00 0.00 C ATOM 301 CG LEU A 24 0.175 -7.531 -6.031 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.126 -6.096 -6.469 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.633 -8.404 -7.201 1.00 0.00 C ATOM 0 H LEU A 24 0.389 -9.222 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 24 1.981 -9.429 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.747 -7.103 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.042 -6.922 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.757 -7.956 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.858 -6.108 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.526 -5.534 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.791 -5.622 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.114 -8.370 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.584 -8.032 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.755 -9.432 -6.861 1.00 0.00 H new ATOM 315 N SER A 25 4.150 -8.952 -4.397 1.00 0.00 N ATOM 316 CA SER A 25 5.450 -8.912 -3.750 1.00 0.00 C ATOM 317 C SER A 25 6.192 -7.634 -4.144 1.00 0.00 C ATOM 318 O SER A 25 6.310 -7.320 -5.328 1.00 0.00 O ATOM 319 CB SER A 25 6.283 -10.143 -4.113 1.00 0.00 C ATOM 320 OG SER A 25 6.235 -10.428 -5.508 1.00 0.00 O ATOM 0 H SER A 25 4.182 -9.040 -5.413 1.00 0.00 H new ATOM 0 HA SER A 25 5.295 -8.916 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.318 -9.982 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.918 -11.005 -3.554 1.00 0.00 H new ATOM 0 HG SER A 25 6.253 -9.589 -6.014 1.00 0.00 H new ATOM 326 N PHE A 26 6.674 -6.930 -3.130 1.00 0.00 N ATOM 327 CA PHE A 26 7.402 -5.693 -3.356 1.00 0.00 C ATOM 328 C PHE A 26 8.616 -5.594 -2.430 1.00 0.00 C ATOM 329 O PHE A 26 8.876 -6.502 -1.643 1.00 0.00 O ATOM 330 CB PHE A 26 6.440 -4.545 -3.042 1.00 0.00 C ATOM 331 CG PHE A 26 5.473 -4.840 -1.894 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.912 -4.802 -0.608 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.173 -5.140 -2.160 1.00 0.00 C ATOM 334 CE1 PHE A 26 5.015 -5.075 0.458 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.276 -5.414 -1.095 1.00 0.00 C ATOM 336 CZ PHE A 26 3.715 -5.376 0.192 1.00 0.00 C ATOM 0 H PHE A 26 6.574 -7.193 -2.150 1.00 0.00 H new ATOM 0 HA PHE A 26 7.760 -5.654 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.020 -3.656 -2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.864 -4.312 -3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.944 -4.564 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.824 -5.170 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.364 -5.044 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.244 -5.653 -1.306 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.032 -5.585 1.002 1.00 0.00 H new ATOM 346 N LEU A 27 9.326 -4.482 -2.556 1.00 0.00 N ATOM 347 CA LEU A 27 10.506 -4.252 -1.740 1.00 0.00 C ATOM 348 C LEU A 27 10.374 -2.905 -1.028 1.00 0.00 C ATOM 349 O LEU A 27 9.864 -1.943 -1.601 1.00 0.00 O ATOM 350 CB LEU A 27 11.775 -4.380 -2.585 1.00 0.00 C ATOM 351 CG LEU A 27 12.810 -3.267 -2.413 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.578 -3.431 -1.100 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.747 -3.198 -3.620 1.00 0.00 C ATOM 0 H LEU A 27 9.107 -3.731 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 27 10.588 -5.015 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.251 -5.331 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.486 -4.421 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 27 12.282 -2.315 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.307 -2.627 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.881 -3.392 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.094 -4.391 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.473 -2.398 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.271 -4.148 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.166 -2.998 -4.521 1.00 0.00 H new ATOM 365 N ARG A 28 10.842 -2.877 0.211 1.00 0.00 N ATOM 366 CA ARG A 28 10.783 -1.663 1.007 1.00 0.00 C ATOM 367 C ARG A 28 11.083 -0.442 0.136 1.00 0.00 C ATOM 368 O ARG A 28 12.173 -0.325 -0.421 1.00 0.00 O ATOM 369 CB ARG A 28 11.783 -1.714 2.164 1.00 0.00 C ATOM 370 CG ARG A 28 11.893 -0.352 2.854 1.00 0.00 C ATOM 371 CD ARG A 28 12.954 -0.380 3.956 1.00 0.00 C ATOM 372 NE ARG A 28 13.763 0.859 3.911 1.00 0.00 N ATOM 373 CZ ARG A 28 14.950 1.004 4.515 1.00 0.00 C ATOM 374 NH1 ARG A 28 15.474 -0.013 5.214 1.00 0.00 N ATOM 375 NH2 ARG A 28 15.613 2.164 4.421 1.00 0.00 N ATOM 0 H ARG A 28 11.264 -3.676 0.684 1.00 0.00 H new ATOM 0 HA ARG A 28 9.776 -1.583 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.470 -2.468 2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.761 -2.017 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.147 0.412 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.928 -0.077 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.476 -0.477 4.931 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.599 -1.250 3.830 1.00 0.00 H new ATOM 0 HE ARG A 28 13.393 1.652 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.969 -0.896 5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.378 0.097 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.214 2.938 3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.517 2.274 4.881 1.00 0.00 H new ATOM 389 N GLY A 29 10.096 0.437 0.045 1.00 0.00 N ATOM 390 CA GLY A 29 10.241 1.645 -0.749 1.00 0.00 C ATOM 391 C GLY A 29 9.382 1.576 -2.014 1.00 0.00 C ATOM 392 O GLY A 29 8.906 2.600 -2.502 1.00 0.00 O ATOM 0 H GLY A 29 9.193 0.337 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.951 2.512 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.287 1.781 -1.023 1.00 0.00 H new ATOM 396 N GLU A 30 9.211 0.359 -2.508 1.00 0.00 N ATOM 397 CA GLU A 30 8.419 0.143 -3.707 1.00 0.00 C ATOM 398 C GLU A 30 7.094 0.903 -3.611 1.00 0.00 C ATOM 399 O GLU A 30 6.391 0.809 -2.606 1.00 0.00 O ATOM 400 CB GLU A 30 8.178 -1.350 -3.943 1.00 0.00 C ATOM 401 CG GLU A 30 9.265 -1.944 -4.841 1.00 0.00 C ATOM 402 CD GLU A 30 8.683 -3.006 -5.776 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.972 -2.602 -6.722 1.00 0.00 O ATOM 404 OE2 GLU A 30 8.963 -4.198 -5.525 1.00 0.00 O ATOM 0 H GLU A 30 9.607 -0.488 -2.100 1.00 0.00 H new ATOM 0 HA GLU A 30 8.976 0.528 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.163 -1.875 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.201 -1.496 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.729 -1.152 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.049 -2.386 -4.226 1.00 0.00 H new ATOM 411 N LYS A 31 6.794 1.639 -4.671 1.00 0.00 N ATOM 412 CA LYS A 31 5.566 2.415 -4.720 1.00 0.00 C ATOM 413 C LYS A 31 4.389 1.482 -5.012 1.00 0.00 C ATOM 414 O LYS A 31 4.195 1.060 -6.151 1.00 0.00 O ATOM 415 CB LYS A 31 5.700 3.567 -5.718 1.00 0.00 C ATOM 416 CG LYS A 31 6.807 4.534 -5.293 1.00 0.00 C ATOM 417 CD LYS A 31 6.291 5.540 -4.262 1.00 0.00 C ATOM 418 CE LYS A 31 7.449 6.188 -3.501 1.00 0.00 C ATOM 419 NZ LYS A 31 6.964 7.325 -2.688 1.00 0.00 N ATOM 0 H LYS A 31 7.380 1.715 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 31 5.371 2.881 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.919 3.170 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.753 4.102 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.643 3.974 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.186 5.065 -6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.704 6.310 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.626 5.038 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.926 5.450 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.206 6.534 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.763 7.753 -2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.529 8.036 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.258 6.986 -2.003 1.00 0.00 H new ATOM 433 N ILE A 32 3.635 1.187 -3.963 1.00 0.00 N ATOM 434 CA ILE A 32 2.482 0.312 -4.093 1.00 0.00 C ATOM 435 C ILE A 32 1.222 1.159 -4.279 1.00 0.00 C ATOM 436 O ILE A 32 1.105 2.239 -3.702 1.00 0.00 O ATOM 437 CB ILE A 32 2.406 -0.652 -2.908 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.798 -1.150 -2.515 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.446 -1.807 -3.201 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.330 -2.156 -3.537 1.00 0.00 C ATOM 0 H ILE A 32 3.800 1.538 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 32 2.578 -0.315 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 32 2.005 -0.109 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.483 -0.305 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.757 -1.614 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.411 -2.477 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.449 -1.411 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.794 -2.356 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.321 -2.494 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.656 -3.011 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.393 -1.681 -4.516 1.00 0.00 H new ATOM 452 N LEU A 33 0.311 0.637 -5.087 1.00 0.00 N ATOM 453 CA LEU A 33 -0.936 1.332 -5.357 1.00 0.00 C ATOM 454 C LEU A 33 -2.080 0.619 -4.632 1.00 0.00 C ATOM 455 O LEU A 33 -2.279 -0.582 -4.811 1.00 0.00 O ATOM 456 CB LEU A 33 -1.157 1.473 -6.864 1.00 0.00 C ATOM 457 CG LEU A 33 -1.470 2.884 -7.367 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.763 3.414 -6.743 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.290 3.827 -7.128 1.00 0.00 C ATOM 0 H LEU A 33 0.412 -0.259 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.896 2.349 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.264 1.116 -7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.976 0.815 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.628 2.835 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.963 4.418 -7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.591 2.757 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.658 3.445 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.540 4.823 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.075 3.877 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.587 3.454 -7.658 1.00 0.00 H new ATOM 471 N ILE A 34 -2.801 1.388 -3.830 1.00 0.00 N ATOM 472 CA ILE A 34 -3.919 0.845 -3.078 1.00 0.00 C ATOM 473 C ILE A 34 -5.228 1.223 -3.774 1.00 0.00 C ATOM 474 O ILE A 34 -5.707 2.347 -3.635 1.00 0.00 O ATOM 475 CB ILE A 34 -3.849 1.290 -1.616 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.482 0.967 -1.010 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.995 0.685 -0.803 1.00 0.00 C ATOM 478 CD1 ILE A 34 -2.133 -0.510 -1.201 1.00 0.00 C ATOM 0 H ILE A 34 -2.633 2.383 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.871 -0.244 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.968 2.373 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.717 1.588 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.485 1.209 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.922 1.017 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.948 1.009 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.933 -0.403 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.157 -0.713 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.886 -1.128 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.107 -0.743 -2.265 1.00 0.00 H new ATOM 490 N LEU A 35 -5.770 0.262 -4.509 1.00 0.00 N ATOM 491 CA LEU A 35 -7.014 0.480 -5.227 1.00 0.00 C ATOM 492 C LEU A 35 -8.168 0.557 -4.226 1.00 0.00 C ATOM 493 O LEU A 35 -8.773 1.614 -4.050 1.00 0.00 O ATOM 494 CB LEU A 35 -7.205 -0.588 -6.305 1.00 0.00 C ATOM 495 CG LEU A 35 -6.091 -0.695 -7.348 1.00 0.00 C ATOM 496 CD1 LEU A 35 -5.342 0.631 -7.488 1.00 0.00 C ATOM 497 CD2 LEU A 35 -5.147 -1.855 -7.026 1.00 0.00 C ATOM 0 H LEU A 35 -5.370 -0.669 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.986 1.432 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.311 -1.556 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.143 -0.389 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.548 -0.911 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.556 0.527 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.037 1.411 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.898 0.901 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.365 -1.908 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.695 -1.695 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.708 -2.789 -7.018 1.00 0.00 H new ATOM 509 N ARG A 36 -8.440 -0.576 -3.596 1.00 0.00 N ATOM 510 CA ARG A 36 -9.511 -0.651 -2.617 1.00 0.00 C ATOM 511 C ARG A 36 -8.989 -1.232 -1.302 1.00 0.00 C ATOM 512 O ARG A 36 -7.877 -1.754 -1.248 1.00 0.00 O ATOM 513 CB ARG A 36 -10.665 -1.517 -3.128 1.00 0.00 C ATOM 514 CG ARG A 36 -11.334 -0.876 -4.345 1.00 0.00 C ATOM 515 CD ARG A 36 -12.619 -0.148 -3.945 1.00 0.00 C ATOM 516 NE ARG A 36 -13.227 0.494 -5.131 1.00 0.00 N ATOM 517 CZ ARG A 36 -13.862 -0.173 -6.105 1.00 0.00 C ATOM 518 NH1 ARG A 36 -13.975 -1.506 -6.039 1.00 0.00 N ATOM 519 NH2 ARG A 36 -14.383 0.494 -7.144 1.00 0.00 N ATOM 0 H ARG A 36 -7.937 -1.451 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.878 0.361 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.292 -2.507 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.400 -1.655 -2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.645 -0.174 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.562 -1.643 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.323 -0.852 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.400 0.604 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.159 1.508 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.578 -2.013 -5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.458 -2.014 -6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.296 1.509 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.866 -0.013 -7.885 1.00 0.00 H new ATOM 533 N GLN A 37 -9.817 -1.123 -0.273 1.00 0.00 N ATOM 534 CA GLN A 37 -9.453 -1.632 1.038 1.00 0.00 C ATOM 535 C GLN A 37 -10.113 -2.991 1.282 1.00 0.00 C ATOM 536 O GLN A 37 -9.558 -3.837 1.981 1.00 0.00 O ATOM 537 CB GLN A 37 -9.829 -0.635 2.136 1.00 0.00 C ATOM 538 CG GLN A 37 -8.782 0.476 2.250 1.00 0.00 C ATOM 539 CD GLN A 37 -9.105 1.416 3.412 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.659 1.024 4.426 1.00 0.00 O ATOM 541 NE2 GLN A 37 -8.728 2.676 3.210 1.00 0.00 N ATOM 0 H GLN A 37 -10.739 -0.689 -0.321 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.372 -1.765 1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.804 -0.200 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.918 -1.155 3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.795 0.037 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.744 1.042 1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.269 2.937 2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.898 3.381 3.928 1.00 0.00 H new ATOM 550 N THR A 38 -11.288 -3.157 0.693 1.00 0.00 N ATOM 551 CA THR A 38 -12.029 -4.398 0.838 1.00 0.00 C ATOM 552 C THR A 38 -12.516 -4.563 2.278 1.00 0.00 C ATOM 553 O THR A 38 -13.718 -4.529 2.539 1.00 0.00 O ATOM 554 CB THR A 38 -11.130 -5.543 0.365 1.00 0.00 C ATOM 555 OG1 THR A 38 -10.596 -5.077 -0.871 1.00 0.00 O ATOM 556 CG2 THR A 38 -11.926 -6.792 -0.020 1.00 0.00 C ATOM 0 H THR A 38 -11.745 -2.452 0.114 1.00 0.00 H new ATOM 0 HA THR A 38 -12.929 -4.396 0.223 1.00 0.00 H new ATOM 0 HB THR A 38 -10.419 -5.794 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.000 -5.758 -1.247 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.241 -7.573 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.491 -7.144 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.614 -6.550 -0.830 1.00 0.00 H new ATOM 564 N THR A 39 -11.559 -4.739 3.177 1.00 0.00 N ATOM 565 CA THR A 39 -11.876 -4.910 4.585 1.00 0.00 C ATOM 566 C THR A 39 -11.154 -3.854 5.425 1.00 0.00 C ATOM 567 O THR A 39 -11.751 -2.852 5.815 1.00 0.00 O ATOM 568 CB THR A 39 -11.523 -6.345 4.978 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.294 -6.599 4.302 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.492 -7.370 4.386 1.00 0.00 C ATOM 0 H THR A 39 -10.563 -4.767 2.958 1.00 0.00 H new ATOM 0 HA THR A 39 -12.939 -4.759 4.773 1.00 0.00 H new ATOM 0 HB THR A 39 -11.521 -6.433 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.992 -7.509 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.196 -8.372 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.502 -7.164 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.470 -7.305 3.298 1.00 0.00 H new ATOM 578 N ALA A 40 -9.881 -4.116 5.680 1.00 0.00 N ATOM 579 CA ALA A 40 -9.071 -3.201 6.467 1.00 0.00 C ATOM 580 C ALA A 40 -7.677 -3.799 6.661 1.00 0.00 C ATOM 581 O ALA A 40 -6.675 -3.093 6.558 1.00 0.00 O ATOM 582 CB ALA A 40 -9.773 -2.914 7.796 1.00 0.00 C ATOM 0 H ALA A 40 -9.390 -4.949 5.356 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.952 -2.250 5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.166 -2.228 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.747 -2.464 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.907 -3.846 8.346 1.00 0.00 H new ATOM 588 N ASP A 41 -7.656 -5.094 6.939 1.00 0.00 N ATOM 589 CA ASP A 41 -6.401 -5.795 7.149 1.00 0.00 C ATOM 590 C ASP A 41 -5.805 -6.183 5.794 1.00 0.00 C ATOM 591 O ASP A 41 -4.588 -6.171 5.620 1.00 0.00 O ATOM 592 CB ASP A 41 -6.614 -7.078 7.956 1.00 0.00 C ATOM 593 CG ASP A 41 -7.039 -6.863 9.409 1.00 0.00 C ATOM 594 OD1 ASP A 41 -8.220 -6.504 9.608 1.00 0.00 O ATOM 595 OD2 ASP A 41 -6.175 -7.065 10.290 1.00 0.00 O ATOM 0 H ASP A 41 -8.489 -5.677 7.024 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.732 -5.131 7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.372 -7.682 7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.689 -7.654 7.945 1.00 0.00 H new ATOM 600 N TRP A 42 -6.692 -6.517 4.868 1.00 0.00 N ATOM 601 CA TRP A 42 -6.270 -6.908 3.533 1.00 0.00 C ATOM 602 C TRP A 42 -6.760 -5.842 2.551 1.00 0.00 C ATOM 603 O TRP A 42 -7.950 -5.537 2.503 1.00 0.00 O ATOM 604 CB TRP A 42 -6.769 -8.312 3.189 1.00 0.00 C ATOM 605 CG TRP A 42 -6.091 -9.427 3.988 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.477 -9.957 5.156 1.00 0.00 C ATOM 607 CD2 TRP A 42 -4.885 -10.132 3.626 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.611 -10.948 5.573 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.612 -11.058 4.612 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.052 -9.993 2.502 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.506 -11.915 4.575 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -2.950 -10.857 2.479 1.00 0.00 C ATOM 613 CH2 TRP A 42 -2.662 -11.794 3.464 1.00 0.00 C ATOM 0 H TRP A 42 -7.701 -6.525 5.016 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.183 -6.963 3.473 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.844 -8.357 3.363 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.610 -8.493 2.126 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.355 -9.648 5.703 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.689 -11.498 6.428 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.247 -9.276 1.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.314 -12.631 5.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.277 -10.790 1.637 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.791 -12.426 3.373 1.00 0.00 H new ATOM 624 N TRP A 43 -5.816 -5.303 1.793 1.00 0.00 N ATOM 625 CA TRP A 43 -6.137 -4.277 0.815 1.00 0.00 C ATOM 626 C TRP A 43 -5.924 -4.871 -0.579 1.00 0.00 C ATOM 627 O TRP A 43 -5.240 -5.881 -0.730 1.00 0.00 O ATOM 628 CB TRP A 43 -5.313 -3.011 1.058 1.00 0.00 C ATOM 629 CG TRP A 43 -5.613 -2.319 2.389 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.530 -2.656 3.305 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.952 -1.151 2.919 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.509 -1.794 4.383 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.519 -0.850 4.140 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.909 -0.375 2.384 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -5.110 0.232 4.930 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.512 0.703 3.185 1.00 0.00 C ATOM 637 CH2 TRP A 43 -4.072 1.019 4.416 1.00 0.00 C ATOM 0 H TRP A 43 -4.829 -5.557 1.836 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.178 -3.968 0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.254 -3.267 1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.497 -2.308 0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.202 -3.497 3.212 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.110 -1.841 5.206 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.450 -0.593 1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.570 0.447 5.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.714 1.333 2.820 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.708 1.869 4.975 1.00 0.00 H new ATOM 648 N TRP A 44 -6.524 -4.217 -1.563 1.00 0.00 N ATOM 649 CA TRP A 44 -6.409 -4.667 -2.940 1.00 0.00 C ATOM 650 C TRP A 44 -5.510 -3.679 -3.687 1.00 0.00 C ATOM 651 O TRP A 44 -5.907 -2.544 -3.942 1.00 0.00 O ATOM 652 CB TRP A 44 -7.789 -4.823 -3.583 1.00 0.00 C ATOM 653 CG TRP A 44 -7.746 -5.136 -5.080 1.00 0.00 C ATOM 654 CD1 TRP A 44 -8.018 -4.315 -6.103 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.398 -6.400 -5.684 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.871 -4.954 -7.317 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.483 -6.262 -7.055 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.024 -7.619 -5.092 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.208 -7.304 -7.949 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -6.754 -8.651 -5.999 1.00 0.00 C ATOM 661 CH2 TRP A 44 -6.834 -8.528 -7.381 1.00 0.00 C ATOM 0 H TRP A 44 -7.091 -3.379 -1.434 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.953 -5.656 -2.986 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.329 -5.619 -3.071 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.356 -3.904 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.315 -3.283 -5.992 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.020 -4.542 -8.238 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.951 -7.749 -4.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.280 -7.171 -9.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.463 -9.610 -5.596 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.609 -9.373 -8.014 1.00 0.00 H new ATOM 672 N GLY A 45 -4.316 -4.149 -4.016 1.00 0.00 N ATOM 673 CA GLY A 45 -3.357 -3.321 -4.729 1.00 0.00 C ATOM 674 C GLY A 45 -3.254 -3.741 -6.196 1.00 0.00 C ATOM 675 O GLY A 45 -4.024 -4.580 -6.661 1.00 0.00 O ATOM 0 H GLY A 45 -3.990 -5.092 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.657 -2.275 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.379 -3.401 -4.255 1.00 0.00 H new ATOM 679 N GLU A 46 -2.295 -3.140 -6.885 1.00 0.00 N ATOM 680 CA GLU A 46 -2.080 -3.441 -8.290 1.00 0.00 C ATOM 681 C GLU A 46 -0.615 -3.212 -8.665 1.00 0.00 C ATOM 682 O GLU A 46 -0.101 -2.103 -8.524 1.00 0.00 O ATOM 683 CB GLU A 46 -3.010 -2.610 -9.177 1.00 0.00 C ATOM 684 CG GLU A 46 -2.705 -2.841 -10.658 1.00 0.00 C ATOM 685 CD GLU A 46 -3.346 -1.755 -11.525 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.575 -1.847 -11.733 1.00 0.00 O ATOM 687 OE2 GLU A 46 -2.592 -0.858 -11.961 1.00 0.00 O ATOM 0 H GLU A 46 -1.658 -2.445 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.316 -4.492 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.047 -2.874 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.896 -1.552 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.626 -2.847 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.076 -3.820 -10.961 1.00 0.00 H new ATOM 694 N ARG A 47 0.017 -4.277 -9.135 1.00 0.00 N ATOM 695 CA ARG A 47 1.413 -4.206 -9.531 1.00 0.00 C ATOM 696 C ARG A 47 1.525 -3.897 -11.025 1.00 0.00 C ATOM 697 O ARG A 47 0.522 -3.634 -11.685 1.00 0.00 O ATOM 698 CB ARG A 47 2.138 -5.520 -9.232 1.00 0.00 C ATOM 699 CG ARG A 47 2.787 -5.485 -7.847 1.00 0.00 C ATOM 700 CD ARG A 47 4.240 -5.013 -7.934 1.00 0.00 C ATOM 701 NE ARG A 47 4.296 -3.535 -7.876 1.00 0.00 N ATOM 702 CZ ARG A 47 5.340 -2.806 -8.293 1.00 0.00 C ATOM 703 NH1 ARG A 47 6.421 -3.413 -8.800 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.302 -1.469 -8.202 1.00 0.00 N ATOM 0 H ARG A 47 -0.413 -5.195 -9.251 1.00 0.00 H new ATOM 0 HA ARG A 47 1.881 -3.408 -8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.433 -6.349 -9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.900 -5.700 -9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.223 -4.819 -7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.750 -6.478 -7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.819 -5.440 -7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.691 -5.366 -8.861 1.00 0.00 H new ATOM 0 HE ARG A 47 3.489 -3.041 -7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.449 -4.430 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.216 -2.858 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.479 -1.007 -7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.096 -0.913 -8.519 1.00 0.00 H new ATOM 718 N ALA A 48 2.756 -3.940 -11.514 1.00 0.00 N ATOM 719 CA ALA A 48 3.013 -3.668 -12.918 1.00 0.00 C ATOM 720 C ALA A 48 2.269 -4.693 -13.776 1.00 0.00 C ATOM 721 O ALA A 48 2.702 -5.838 -13.897 1.00 0.00 O ATOM 722 CB ALA A 48 4.522 -3.680 -13.173 1.00 0.00 C ATOM 0 H ALA A 48 3.586 -4.159 -10.963 1.00 0.00 H new ATOM 0 HA ALA A 48 2.644 -2.679 -13.191 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.715 -3.476 -14.226 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.000 -2.915 -12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.927 -4.658 -12.913 1.00 0.00 H new ATOM 728 N GLY A 49 1.162 -4.245 -14.350 1.00 0.00 N ATOM 729 CA GLY A 49 0.354 -5.109 -15.194 1.00 0.00 C ATOM 730 C GLY A 49 -0.195 -6.295 -14.397 1.00 0.00 C ATOM 731 O GLY A 49 -0.761 -7.224 -14.971 1.00 0.00 O ATOM 0 H GLY A 49 0.806 -3.295 -14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.472 -4.539 -15.620 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.954 -5.473 -16.028 1.00 0.00 H new ATOM 735 N CYS A 50 -0.007 -6.225 -13.088 1.00 0.00 N ATOM 736 CA CYS A 50 -0.476 -7.281 -12.207 1.00 0.00 C ATOM 737 C CYS A 50 -1.568 -6.704 -11.303 1.00 0.00 C ATOM 738 O CYS A 50 -1.663 -5.489 -11.137 1.00 0.00 O ATOM 739 CB CYS A 50 0.669 -7.893 -11.398 1.00 0.00 C ATOM 740 SG CYS A 50 1.169 -9.493 -12.133 1.00 0.00 S ATOM 0 H CYS A 50 0.464 -5.453 -12.616 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.890 -8.096 -12.801 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.518 -7.210 -11.380 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.357 -8.040 -10.364 1.00 0.00 H new ATOM 0 HG CYS A 50 2.143 -10.003 -11.440 1.00 0.00 H new ATOM 746 N CYS A 51 -2.364 -7.602 -10.743 1.00 0.00 N ATOM 747 CA CYS A 51 -3.445 -7.197 -9.861 1.00 0.00 C ATOM 748 C CYS A 51 -3.651 -8.297 -8.817 1.00 0.00 C ATOM 749 O CYS A 51 -4.085 -9.400 -9.149 1.00 0.00 O ATOM 750 CB CYS A 51 -4.729 -6.901 -10.638 1.00 0.00 C ATOM 751 SG CYS A 51 -5.146 -8.316 -11.722 1.00 0.00 S ATOM 0 H CYS A 51 -2.282 -8.609 -10.883 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.179 -6.266 -9.360 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.548 -6.710 -9.944 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.602 -5.999 -11.237 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.740 -9.420 -11.169 1.00 0.00 H new ATOM 757 N GLY A 52 -3.330 -7.959 -7.577 1.00 0.00 N ATOM 758 CA GLY A 52 -3.475 -8.904 -6.483 1.00 0.00 C ATOM 759 C GLY A 52 -3.813 -8.183 -5.176 1.00 0.00 C ATOM 760 O GLY A 52 -3.972 -6.963 -5.160 1.00 0.00 O ATOM 0 H GLY A 52 -2.970 -7.044 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.260 -9.622 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.551 -9.470 -6.362 1.00 0.00 H new ATOM 764 N TYR A 53 -3.915 -8.968 -4.114 1.00 0.00 N ATOM 765 CA TYR A 53 -4.232 -8.419 -2.806 1.00 0.00 C ATOM 766 C TYR A 53 -2.959 -8.140 -2.005 1.00 0.00 C ATOM 767 O TYR A 53 -1.944 -8.810 -2.191 1.00 0.00 O ATOM 768 CB TYR A 53 -5.049 -9.494 -2.085 1.00 0.00 C ATOM 769 CG TYR A 53 -6.559 -9.375 -2.298 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.307 -8.546 -1.486 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.173 -10.096 -3.301 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.729 -8.434 -1.686 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.595 -9.984 -3.501 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.302 -9.159 -2.684 1.00 0.00 C ATOM 775 OH TYR A 53 -10.645 -9.053 -2.873 1.00 0.00 O ATOM 0 H TYR A 53 -3.784 -9.979 -4.132 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.773 -7.478 -2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.720 -10.476 -2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.838 -9.441 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.826 -7.982 -0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.588 -10.744 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.326 -7.789 -1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.088 -10.543 -4.282 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.916 -9.626 -3.621 1.00 0.00 H new ATOM 785 N ILE A 54 -3.054 -7.149 -1.131 1.00 0.00 N ATOM 786 CA ILE A 54 -1.922 -6.772 -0.301 1.00 0.00 C ATOM 787 C ILE A 54 -2.385 -6.628 1.150 1.00 0.00 C ATOM 788 O ILE A 54 -3.541 -6.294 1.406 1.00 0.00 O ATOM 789 CB ILE A 54 -1.242 -5.520 -0.857 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.270 -4.561 -1.461 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.146 -5.890 -1.858 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.617 -3.235 -1.857 1.00 0.00 C ATOM 0 H ILE A 54 -3.897 -6.595 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.161 -7.552 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.760 -4.997 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.730 -5.020 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.068 -4.377 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.321 -4.982 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.606 -6.505 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.583 -6.447 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.370 -2.572 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.179 -2.767 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.836 -3.420 -2.595 1.00 0.00 H new ATOM 804 N PRO A 55 -1.435 -6.892 2.086 1.00 0.00 N ATOM 805 CA PRO A 55 -1.733 -6.794 3.505 1.00 0.00 C ATOM 806 C PRO A 55 -1.814 -5.332 3.949 1.00 0.00 C ATOM 807 O PRO A 55 -1.558 -4.425 3.159 1.00 0.00 O ATOM 808 CB PRO A 55 -0.620 -7.565 4.196 1.00 0.00 C ATOM 809 CG PRO A 55 0.507 -7.668 3.180 1.00 0.00 C ATOM 810 CD PRO A 55 -0.055 -7.289 1.820 1.00 0.00 C ATOM 0 HA PRO A 55 -2.706 -7.213 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.288 -7.049 5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.961 -8.554 4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.328 -7.005 3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.910 -8.681 3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.512 -6.474 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.011 -8.128 1.126 1.00 0.00 H new ATOM 818 N ALA A 56 -2.169 -5.150 5.212 1.00 0.00 N ATOM 819 CA ALA A 56 -2.286 -3.813 5.771 1.00 0.00 C ATOM 820 C ALA A 56 -1.351 -3.685 6.975 1.00 0.00 C ATOM 821 O ALA A 56 -1.764 -3.901 8.113 1.00 0.00 O ATOM 822 CB ALA A 56 -3.746 -3.538 6.136 1.00 0.00 C ATOM 0 H ALA A 56 -2.380 -5.905 5.864 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.986 -3.063 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.834 -2.536 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.365 -3.613 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.081 -4.269 6.871 1.00 0.00 H new ATOM 828 N ASN A 57 -0.107 -3.333 6.682 1.00 0.00 N ATOM 829 CA ASN A 57 0.890 -3.173 7.726 1.00 0.00 C ATOM 830 C ASN A 57 2.273 -3.028 7.087 1.00 0.00 C ATOM 831 O ASN A 57 3.110 -2.270 7.576 1.00 0.00 O ATOM 832 CB ASN A 57 0.922 -4.393 8.649 1.00 0.00 C ATOM 833 CG ASN A 57 2.163 -4.371 9.544 1.00 0.00 C ATOM 834 OD1 ASN A 57 3.292 -4.329 9.083 1.00 0.00 O ATOM 835 ND2 ASN A 57 1.892 -4.403 10.846 1.00 0.00 N ATOM 0 H ASN A 57 0.232 -3.154 5.737 1.00 0.00 H new ATOM 0 HA ASN A 57 0.631 -2.288 8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.024 -4.410 9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.916 -5.305 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.653 -4.393 11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.924 -4.438 11.165 1.00 0.00 H new ATOM 842 N HIS A 58 2.469 -3.765 6.004 1.00 0.00 N ATOM 843 CA HIS A 58 3.736 -3.728 5.293 1.00 0.00 C ATOM 844 C HIS A 58 3.873 -2.392 4.560 1.00 0.00 C ATOM 845 O HIS A 58 4.985 -1.941 4.287 1.00 0.00 O ATOM 846 CB HIS A 58 3.871 -4.932 4.360 1.00 0.00 C ATOM 847 CG HIS A 58 4.185 -6.227 5.070 1.00 0.00 C ATOM 848 ND1 HIS A 58 5.477 -6.622 5.372 1.00 0.00 N ATOM 849 CD2 HIS A 58 3.363 -7.211 5.535 1.00 0.00 C ATOM 850 CE1 HIS A 58 5.422 -7.793 5.990 1.00 0.00 C ATOM 851 NE2 HIS A 58 4.111 -8.157 6.090 1.00 0.00 N ATOM 0 H HIS A 58 1.772 -4.391 5.601 1.00 0.00 H new ATOM 0 HA HIS A 58 4.559 -3.800 6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.943 -5.052 3.801 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.657 -4.729 3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.285 -7.219 5.464 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.267 -8.360 6.351 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.763 -9.014 6.520 1.00 0.00 H new ATOM 859 N VAL A 59 2.728 -1.796 4.262 1.00 0.00 N ATOM 860 CA VAL A 59 2.707 -0.521 3.566 1.00 0.00 C ATOM 861 C VAL A 59 2.205 0.567 4.518 1.00 0.00 C ATOM 862 O VAL A 59 1.334 0.316 5.349 1.00 0.00 O ATOM 863 CB VAL A 59 1.867 -0.634 2.292 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.595 -1.456 1.227 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.489 -1.225 2.595 1.00 0.00 C ATOM 0 H VAL A 59 1.808 -2.173 4.490 1.00 0.00 H new ATOM 0 HA VAL A 59 3.713 -0.241 3.253 1.00 0.00 H new ATOM 0 HB VAL A 59 1.720 0.371 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.977 -1.521 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.541 -0.975 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.787 -2.459 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.088 -1.295 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.606 -2.219 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.035 -0.583 3.303 1.00 0.00 H new ATOM 875 N GLY A 60 2.777 1.752 4.366 1.00 0.00 N ATOM 876 CA GLY A 60 2.399 2.879 5.202 1.00 0.00 C ATOM 877 C GLY A 60 2.676 4.206 4.492 1.00 0.00 C ATOM 878 O GLY A 60 2.529 4.306 3.275 1.00 0.00 O ATOM 0 H GLY A 60 3.500 1.957 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.341 2.811 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.952 2.842 6.140 1.00 0.00 H new ATOM 882 N LYS A 61 3.073 5.192 5.283 1.00 0.00 N ATOM 883 CA LYS A 61 3.373 6.508 4.746 1.00 0.00 C ATOM 884 C LYS A 61 4.770 6.934 5.201 1.00 0.00 C ATOM 885 O LYS A 61 4.943 7.415 6.320 1.00 0.00 O ATOM 886 CB LYS A 61 2.273 7.503 5.123 1.00 0.00 C ATOM 887 CG LYS A 61 2.590 8.900 4.584 1.00 0.00 C ATOM 888 CD LYS A 61 2.381 8.963 3.069 1.00 0.00 C ATOM 889 CE LYS A 61 3.206 10.093 2.449 1.00 0.00 C ATOM 890 NZ LYS A 61 2.465 10.723 1.333 1.00 0.00 N ATOM 0 H LYS A 61 3.194 5.106 6.292 1.00 0.00 H new ATOM 0 HA LYS A 61 3.387 6.481 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.318 7.163 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.169 7.542 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.952 9.636 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.621 9.161 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.665 8.012 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.324 9.117 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.438 10.841 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.156 9.701 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.039 11.488 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.266 10.010 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.569 11.114 1.688 1.00 0.00 H new ATOM 904 N HIS A 62 5.732 6.742 4.310 1.00 0.00 N ATOM 905 CA HIS A 62 7.108 7.100 4.606 1.00 0.00 C ATOM 906 C HIS A 62 7.513 8.316 3.770 1.00 0.00 C ATOM 907 O HIS A 62 6.846 8.652 2.792 1.00 0.00 O ATOM 908 CB HIS A 62 8.038 5.903 4.399 1.00 0.00 C ATOM 909 CG HIS A 62 9.066 5.727 5.491 1.00 0.00 C ATOM 910 ND1 HIS A 62 8.769 5.153 6.715 1.00 0.00 N ATOM 911 CD2 HIS A 62 10.389 6.055 5.531 1.00 0.00 C ATOM 912 CE1 HIS A 62 9.871 5.141 7.450 1.00 0.00 C ATOM 913 NE2 HIS A 62 10.874 5.702 6.715 1.00 0.00 N ATOM 0 H HIS A 62 5.585 6.343 3.383 1.00 0.00 H new ATOM 0 HA HIS A 62 7.197 7.378 5.656 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.437 4.996 4.331 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.553 6.017 3.445 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.948 6.523 4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.960 4.755 8.455 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.838 5.829 7.024 1.00 0.00 H new ATOM 921 N SER A 63 8.604 8.943 4.185 1.00 0.00 N ATOM 922 CA SER A 63 9.105 10.114 3.487 1.00 0.00 C ATOM 923 C SER A 63 10.631 10.051 3.388 1.00 0.00 C ATOM 924 O SER A 63 11.326 10.117 4.401 1.00 0.00 O ATOM 925 CB SER A 63 8.672 11.402 4.191 1.00 0.00 C ATOM 926 OG SER A 63 7.529 11.988 3.576 1.00 0.00 O ATOM 0 H SER A 63 9.155 8.662 4.996 1.00 0.00 H new ATOM 0 HA SER A 63 8.682 10.121 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.451 11.187 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.496 12.116 4.180 1.00 0.00 H new ATOM 0 HG SER A 63 7.283 12.807 4.055 1.00 0.00 H new ATOM 932 N GLY A 64 11.107 9.924 2.158 1.00 0.00 N ATOM 933 CA GLY A 64 12.537 9.851 1.913 1.00 0.00 C ATOM 934 C GLY A 64 12.827 9.311 0.511 1.00 0.00 C ATOM 935 O GLY A 64 12.040 8.539 -0.036 1.00 0.00 O ATOM 0 H GLY A 64 10.527 9.870 1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.979 10.841 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.005 9.208 2.658 1.00 0.00 H new ATOM 939 N PRO A 65 13.988 9.749 -0.045 1.00 0.00 N ATOM 940 CA PRO A 65 14.391 9.318 -1.373 1.00 0.00 C ATOM 941 C PRO A 65 14.905 7.877 -1.349 1.00 0.00 C ATOM 942 O PRO A 65 15.358 7.393 -0.313 1.00 0.00 O ATOM 943 CB PRO A 65 15.448 10.319 -1.808 1.00 0.00 C ATOM 944 CG PRO A 65 15.932 10.994 -0.534 1.00 0.00 C ATOM 945 CD PRO A 65 14.944 10.663 0.573 1.00 0.00 C ATOM 0 HA PRO A 65 13.562 9.303 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.270 9.821 -2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.032 11.049 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 65 16.930 10.644 -0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 65 16.000 12.073 -0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 65 15.443 10.199 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 65 14.450 11.561 0.945 1.00 0.00 H new ATOM 953 N SER A 66 14.818 7.233 -2.504 1.00 0.00 N ATOM 954 CA SER A 66 15.269 5.857 -2.628 1.00 0.00 C ATOM 955 C SER A 66 15.310 5.451 -4.103 1.00 0.00 C ATOM 956 O SER A 66 14.385 4.812 -4.600 1.00 0.00 O ATOM 957 CB SER A 66 14.364 4.907 -1.841 1.00 0.00 C ATOM 958 OG SER A 66 14.550 3.549 -2.230 1.00 0.00 O ATOM 0 H SER A 66 14.442 7.638 -3.361 1.00 0.00 H new ATOM 0 HA SER A 66 16.273 5.787 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.569 5.010 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.322 5.189 -1.994 1.00 0.00 H new ATOM 0 HG SER A 66 14.294 3.440 -3.170 1.00 0.00 H new ATOM 964 N SER A 67 16.393 5.840 -4.761 1.00 0.00 N ATOM 965 CA SER A 67 16.566 5.525 -6.168 1.00 0.00 C ATOM 966 C SER A 67 18.019 5.767 -6.584 1.00 0.00 C ATOM 967 O SER A 67 18.730 6.541 -5.944 1.00 0.00 O ATOM 968 CB SER A 67 15.620 6.354 -7.039 1.00 0.00 C ATOM 969 OG SER A 67 15.160 5.624 -8.173 1.00 0.00 O ATOM 0 H SER A 67 17.159 6.370 -4.345 1.00 0.00 H new ATOM 0 HA SER A 67 16.323 4.473 -6.315 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.765 6.674 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.132 7.257 -7.372 1.00 0.00 H new ATOM 0 HG SER A 67 14.558 6.187 -8.702 1.00 0.00 H new ATOM 975 N GLY A 68 18.416 5.092 -7.652 1.00 0.00 N ATOM 976 CA GLY A 68 19.771 5.224 -8.159 1.00 0.00 C ATOM 977 C GLY A 68 20.792 4.727 -7.134 1.00 0.00 C ATOM 978 O GLY A 68 20.460 3.928 -6.259 1.00 0.00 O ATOM 0 H GLY A 68 17.823 4.452 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.874 4.657 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.972 6.268 -8.401 1.00 0.00 H new TER 982 GLY A 68