USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 30:sc= 0.605 USER MOD Set 1.2: A 40 LYS NZ :NH3+ -150:sc= 0.0239 (180deg=-2.01!) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.855 USER MOD Set 2.2: A 51 THR OG1 : rot 154:sc= -0.3 USER MOD Single : A 1 PHE N :NH3+ 147:sc= 1.57 (180deg=-1.15!) USER MOD Single : A 6 GLN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD Single : A 7 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.093) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 18 ASN : amide:sc= 1.12 K(o=1.1,f=-0.34) USER MOD Single : A 19 SER OG : rot -53:sc= -1.33! USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= 2.63 (180deg=-0.307) USER MOD Single : A 28 SER OG : rot 89:sc= 0.697 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 41 ASN : amide:sc= -0.76 K(o=-0.76,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.031 (180deg=-0.0841!) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 1.76 (180deg=1.17) USER MOD Single : A 57 MET CE :methyl -120:sc= -0.988 (180deg=-1.1) USER MOD Single : A 58 ASN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 1 (180deg=0.599) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.533 4.802 5.825 1.00 0.00 N ATOM 2 CA PHE A 1 5.991 5.544 4.645 1.00 0.00 C ATOM 3 C PHE A 1 5.145 6.793 4.502 1.00 0.00 C ATOM 4 O PHE A 1 5.643 7.912 4.632 1.00 0.00 O ATOM 5 CB PHE A 1 5.837 4.709 3.369 1.00 0.00 C ATOM 6 CG PHE A 1 6.276 3.289 3.499 1.00 0.00 C ATOM 7 CD1 PHE A 1 7.607 2.958 3.692 1.00 0.00 C ATOM 8 CD2 PHE A 1 5.338 2.283 3.446 1.00 0.00 C ATOM 9 CE1 PHE A 1 7.992 1.636 3.821 1.00 0.00 C ATOM 10 CE2 PHE A 1 5.710 0.958 3.577 1.00 0.00 C ATOM 11 CZ PHE A 1 7.041 0.634 3.764 1.00 0.00 C ATOM 0 H1 PHE A 1 5.649 3.782 5.660 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.096 5.085 6.653 1.00 0.00 H new ATOM 0 H3 PHE A 1 4.530 5.013 6.000 1.00 0.00 H new ATOM 0 HA PHE A 1 7.045 5.790 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.791 4.726 3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 1 6.409 5.181 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 1 8.351 3.739 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 1 4.297 2.532 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 1 9.033 1.387 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 1 4.964 0.179 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 1 7.337 -0.400 3.865 1.00 0.00 H new ATOM 21 N CYS A 2 3.832 6.559 4.284 1.00 0.00 N ATOM 22 CA CYS A 2 2.790 7.590 4.055 1.00 0.00 C ATOM 23 C CYS A 2 2.933 8.826 4.953 1.00 0.00 C ATOM 24 O CYS A 2 2.681 9.953 4.502 1.00 0.00 O ATOM 25 CB CYS A 2 1.429 6.959 4.315 1.00 0.00 C ATOM 26 SG CYS A 2 1.151 5.413 3.407 1.00 0.00 S ATOM 0 H CYS A 2 3.453 5.612 4.261 1.00 0.00 H new ATOM 0 HA CYS A 2 2.901 7.933 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.327 6.765 5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.651 7.673 4.045 1.00 0.00 H new ATOM 31 N GLU A 3 3.333 8.585 6.191 1.00 0.00 N ATOM 32 CA GLU A 3 3.508 9.585 7.248 1.00 0.00 C ATOM 33 C GLU A 3 4.267 10.799 6.752 1.00 0.00 C ATOM 34 O GLU A 3 3.743 11.886 6.746 1.00 0.00 O ATOM 35 CB GLU A 3 4.273 9.009 8.469 1.00 0.00 C ATOM 36 CG GLU A 3 3.868 7.610 8.939 1.00 0.00 C ATOM 37 CD GLU A 3 4.344 6.524 7.998 1.00 0.00 C ATOM 38 OE1 GLU A 3 5.534 6.174 8.017 1.00 0.00 O ATOM 39 OE2 GLU A 3 3.556 6.050 7.143 1.00 0.00 O ATOM 0 H GLU A 3 3.557 7.642 6.508 1.00 0.00 H new ATOM 0 HA GLU A 3 2.502 9.875 7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.336 8.992 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.147 9.698 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.278 7.431 9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.783 7.560 9.028 1.00 0.00 H new ATOM 46 N ARG A 4 5.501 10.616 6.339 1.00 0.00 N ATOM 47 CA ARG A 4 6.264 11.738 5.884 1.00 0.00 C ATOM 48 C ARG A 4 5.908 12.052 4.436 1.00 0.00 C ATOM 49 O ARG A 4 5.914 13.208 4.035 1.00 0.00 O ATOM 50 CB ARG A 4 7.820 11.538 6.091 1.00 0.00 C ATOM 51 CG ARG A 4 8.639 11.092 4.854 1.00 0.00 C ATOM 52 CD ARG A 4 8.941 12.270 3.893 1.00 0.00 C ATOM 53 NE ARG A 4 8.798 11.860 2.498 1.00 0.00 N ATOM 54 CZ ARG A 4 8.344 12.620 1.473 1.00 0.00 C ATOM 55 NH1 ARG A 4 8.033 13.900 1.651 1.00 0.00 N ATOM 56 NH2 ARG A 4 8.141 12.058 0.301 1.00 0.00 N ATOM 0 H ARG A 4 5.983 9.718 6.311 1.00 0.00 H new ATOM 0 HA ARG A 4 5.999 12.599 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.238 12.477 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.965 10.799 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.577 10.645 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.090 10.319 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.264 13.098 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.954 12.635 4.066 1.00 0.00 H new ATOM 0 HE ARG A 4 9.068 10.903 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.135 14.326 2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.693 14.456 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.325 11.063 0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.799 12.617 -0.480 1.00 0.00 H new ATOM 70 N GLU A 5 5.595 11.001 3.670 1.00 0.00 N ATOM 71 CA GLU A 5 5.381 11.121 2.233 1.00 0.00 C ATOM 72 C GLU A 5 4.231 12.058 1.880 1.00 0.00 C ATOM 73 O GLU A 5 4.396 12.964 1.094 1.00 0.00 O ATOM 74 CB GLU A 5 5.144 9.752 1.576 1.00 0.00 C ATOM 75 CG GLU A 5 6.263 8.716 1.753 1.00 0.00 C ATOM 76 CD GLU A 5 7.619 9.166 1.254 1.00 0.00 C ATOM 77 OE1 GLU A 5 7.786 9.396 0.024 1.00 0.00 O ATOM 78 OE2 GLU A 5 8.533 9.290 2.065 1.00 0.00 O ATOM 0 H GLU A 5 5.485 10.053 4.030 1.00 0.00 H new ATOM 0 HA GLU A 5 6.300 11.554 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.222 9.333 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.985 9.906 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.344 8.464 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.982 7.803 1.229 1.00 0.00 H new ATOM 85 N GLN A 6 3.072 11.841 2.475 1.00 0.00 N ATOM 86 CA GLN A 6 1.876 12.597 2.111 1.00 0.00 C ATOM 87 C GLN A 6 1.208 13.107 3.354 1.00 0.00 C ATOM 88 O GLN A 6 0.157 13.729 3.289 1.00 0.00 O ATOM 89 CB GLN A 6 0.888 11.659 1.431 1.00 0.00 C ATOM 90 CG GLN A 6 1.404 10.941 0.213 1.00 0.00 C ATOM 91 CD GLN A 6 1.571 11.860 -0.991 1.00 0.00 C ATOM 92 OE1 GLN A 6 0.656 12.017 -1.783 1.00 0.00 O ATOM 93 NE2 GLN A 6 2.704 12.495 -1.104 1.00 0.00 N ATOM 0 H GLN A 6 2.928 11.150 3.211 1.00 0.00 H new ATOM 0 HA GLN A 6 2.162 13.420 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.562 10.915 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.007 12.234 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.364 10.481 0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.718 10.134 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.447 12.338 -0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.848 13.149 -1.874 1.00 0.00 H new ATOM 102 N GLN A 7 1.828 12.806 4.495 1.00 0.00 N ATOM 103 CA GLN A 7 1.273 13.061 5.815 1.00 0.00 C ATOM 104 C GLN A 7 0.024 12.199 6.043 1.00 0.00 C ATOM 105 O GLN A 7 -0.809 12.472 6.898 1.00 0.00 O ATOM 106 CB GLN A 7 1.034 14.554 6.067 1.00 0.00 C ATOM 107 CG GLN A 7 2.305 15.402 5.999 1.00 0.00 C ATOM 108 CD GLN A 7 3.142 15.427 7.292 1.00 0.00 C ATOM 109 OE1 GLN A 7 3.808 16.411 7.578 1.00 0.00 O ATOM 110 NE2 GLN A 7 3.133 14.370 8.064 1.00 0.00 N ATOM 0 H GLN A 7 2.749 12.369 4.523 1.00 0.00 H new ATOM 0 HA GLN A 7 2.011 12.764 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.320 14.927 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.577 14.679 7.049 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.929 15.029 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.028 16.425 5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.571 13.558 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.688 14.359 8.920 1.00 0.00 H new ATOM 119 N LEU A 8 -0.019 11.119 5.306 1.00 0.00 N ATOM 120 CA LEU A 8 -1.086 10.176 5.313 1.00 0.00 C ATOM 121 C LEU A 8 -0.823 9.070 6.250 1.00 0.00 C ATOM 122 O LEU A 8 0.287 8.875 6.740 1.00 0.00 O ATOM 123 CB LEU A 8 -1.270 9.604 3.911 1.00 0.00 C ATOM 124 CG LEU A 8 -2.428 10.159 3.087 1.00 0.00 C ATOM 125 CD1 LEU A 8 -2.522 11.656 3.194 1.00 0.00 C ATOM 126 CD2 LEU A 8 -2.297 9.725 1.639 1.00 0.00 C ATOM 0 H LEU A 8 0.728 10.870 4.658 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.989 10.695 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.348 9.768 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.402 8.526 3.999 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.353 9.750 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.359 12.012 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.678 11.937 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.598 12.105 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.129 10.128 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.358 10.099 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.309 8.637 1.583 1.00 0.00 H new ATOM 138 N GLU A 9 -1.833 8.346 6.451 1.00 0.00 N ATOM 139 CA GLU A 9 -1.806 7.163 7.262 1.00 0.00 C ATOM 140 C GLU A 9 -1.609 6.026 6.285 1.00 0.00 C ATOM 141 O GLU A 9 -1.798 6.224 5.096 1.00 0.00 O ATOM 142 CB GLU A 9 -3.148 7.033 7.932 1.00 0.00 C ATOM 143 CG GLU A 9 -3.291 5.977 9.004 1.00 0.00 C ATOM 144 CD GLU A 9 -4.721 5.921 9.469 1.00 0.00 C ATOM 145 OE1 GLU A 9 -5.540 5.267 8.801 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.073 6.625 10.435 1.00 0.00 O ATOM 0 H GLU A 9 -2.750 8.546 6.051 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.029 7.177 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.399 7.997 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.892 6.833 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.986 5.006 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.634 6.205 9.843 1.00 0.00 H new ATOM 153 N SER A 10 -1.189 4.907 6.733 1.00 0.00 N ATOM 154 CA SER A 10 -1.026 3.777 5.901 1.00 0.00 C ATOM 155 C SER A 10 -2.296 2.935 5.883 1.00 0.00 C ATOM 156 O SER A 10 -3.086 3.004 6.817 1.00 0.00 O ATOM 157 CB SER A 10 0.078 3.011 6.500 1.00 0.00 C ATOM 158 OG SER A 10 -0.261 2.592 7.821 1.00 0.00 O ATOM 0 H SER A 10 -0.943 4.745 7.710 1.00 0.00 H new ATOM 0 HA SER A 10 -0.818 4.063 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.301 2.141 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.980 3.623 6.527 1.00 0.00 H new ATOM 0 HG SER A 10 0.484 2.083 8.204 1.00 0.00 H new ATOM 164 N CYS A 11 -2.477 2.131 4.865 1.00 0.00 N ATOM 165 CA CYS A 11 -3.640 1.270 4.813 1.00 0.00 C ATOM 166 C CYS A 11 -3.355 0.139 3.821 1.00 0.00 C ATOM 167 O CYS A 11 -2.252 0.067 3.268 1.00 0.00 O ATOM 168 CB CYS A 11 -4.911 2.064 4.395 1.00 0.00 C ATOM 169 SG CYS A 11 -5.135 2.263 2.617 1.00 0.00 S ATOM 0 H CYS A 11 -1.845 2.052 4.069 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.834 0.858 5.803 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.787 1.559 4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.871 3.052 4.854 1.00 0.00 H new ATOM 174 N ALA A 12 -4.313 -0.732 3.605 1.00 0.00 N ATOM 175 CA ALA A 12 -4.169 -1.804 2.660 1.00 0.00 C ATOM 176 C ALA A 12 -5.364 -1.781 1.741 1.00 0.00 C ATOM 177 O ALA A 12 -6.501 -1.715 2.210 1.00 0.00 O ATOM 178 CB ALA A 12 -4.073 -3.141 3.384 1.00 0.00 C ATOM 0 H ALA A 12 -5.214 -0.713 4.083 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.254 -1.676 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.964 -3.943 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.208 -3.134 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.978 -3.304 3.969 1.00 0.00 H new ATOM 184 N CYS A 13 -5.119 -1.787 0.456 1.00 0.00 N ATOM 185 CA CYS A 13 -6.173 -1.757 -0.514 1.00 0.00 C ATOM 186 C CYS A 13 -6.993 -3.054 -0.489 1.00 0.00 C ATOM 187 O CYS A 13 -6.445 -4.142 -0.418 1.00 0.00 O ATOM 188 CB CYS A 13 -5.583 -1.439 -1.891 1.00 0.00 C ATOM 189 SG CYS A 13 -4.768 0.225 -1.966 1.00 0.00 S ATOM 0 H CYS A 13 -4.181 -1.813 0.056 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.879 -0.964 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.854 -2.206 -2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.375 -1.483 -2.638 1.00 0.00 H new ATOM 194 N ASN A 14 -8.323 -2.892 -0.495 1.00 0.00 N ATOM 195 CA ASN A 14 -9.306 -4.007 -0.407 1.00 0.00 C ATOM 196 C ASN A 14 -9.245 -4.910 -1.645 1.00 0.00 C ATOM 197 O ASN A 14 -9.749 -6.017 -1.659 1.00 0.00 O ATOM 198 CB ASN A 14 -10.719 -3.418 -0.295 1.00 0.00 C ATOM 199 CG ASN A 14 -11.804 -4.455 0.016 1.00 0.00 C ATOM 200 OD1 ASN A 14 -11.574 -5.427 0.708 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.996 -4.244 -0.502 1.00 0.00 N ATOM 0 H ASN A 14 -8.764 -1.974 -0.562 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.062 -4.608 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.724 -2.657 0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.968 -2.916 -1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.753 -4.905 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.163 -3.420 -1.080 1.00 0.00 H new ATOM 208 N GLU A 15 -8.675 -4.392 -2.686 1.00 0.00 N ATOM 209 CA GLU A 15 -8.505 -5.103 -3.896 1.00 0.00 C ATOM 210 C GLU A 15 -7.313 -6.091 -3.713 1.00 0.00 C ATOM 211 O GLU A 15 -6.352 -5.750 -3.044 1.00 0.00 O ATOM 212 CB GLU A 15 -8.300 -4.071 -5.034 1.00 0.00 C ATOM 213 CG GLU A 15 -8.364 -4.601 -6.463 1.00 0.00 C ATOM 214 CD GLU A 15 -7.176 -5.424 -6.801 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.075 -4.879 -6.752 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.323 -6.641 -7.007 1.00 0.00 O ATOM 0 H GLU A 15 -8.309 -3.440 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.375 -5.702 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.055 -3.292 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.329 -3.596 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.267 -5.198 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.436 -3.764 -7.158 1.00 0.00 H new ATOM 223 N THR A 16 -7.401 -7.289 -4.302 1.00 0.00 N ATOM 224 CA THR A 16 -6.388 -8.344 -4.140 1.00 0.00 C ATOM 225 C THR A 16 -5.003 -7.898 -4.552 1.00 0.00 C ATOM 226 O THR A 16 -4.072 -7.960 -3.755 1.00 0.00 O ATOM 227 CB THR A 16 -6.755 -9.616 -4.945 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.024 -10.122 -4.480 1.00 0.00 O ATOM 229 CG2 THR A 16 -5.665 -10.710 -4.791 1.00 0.00 C ATOM 0 H THR A 16 -8.178 -7.557 -4.906 1.00 0.00 H new ATOM 0 HA THR A 16 -6.377 -8.570 -3.074 1.00 0.00 H new ATOM 0 HB THR A 16 -6.822 -9.353 -6.001 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.261 -10.926 -4.987 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.950 -11.591 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.712 -10.329 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.567 -10.980 -3.740 1.00 0.00 H new ATOM 237 N ASP A 17 -4.878 -7.399 -5.745 1.00 0.00 N ATOM 238 CA ASP A 17 -3.573 -7.082 -6.281 1.00 0.00 C ATOM 239 C ASP A 17 -2.975 -5.898 -5.533 1.00 0.00 C ATOM 240 O ASP A 17 -1.762 -5.834 -5.242 1.00 0.00 O ATOM 241 CB ASP A 17 -3.669 -6.738 -7.756 1.00 0.00 C ATOM 242 CG ASP A 17 -2.320 -6.458 -8.416 1.00 0.00 C ATOM 243 OD1 ASP A 17 -1.684 -7.393 -8.917 1.00 0.00 O ATOM 244 OD2 ASP A 17 -1.865 -5.303 -8.436 1.00 0.00 O ATOM 0 H ASP A 17 -5.658 -7.200 -6.371 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.934 -7.957 -6.158 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.155 -7.561 -8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.309 -5.863 -7.874 1.00 0.00 H new ATOM 249 N ASN A 18 -3.819 -4.961 -5.203 1.00 0.00 N ATOM 250 CA ASN A 18 -3.397 -3.777 -4.539 1.00 0.00 C ATOM 251 C ASN A 18 -3.294 -3.944 -3.055 1.00 0.00 C ATOM 252 O ASN A 18 -2.826 -3.045 -2.369 1.00 0.00 O ATOM 253 CB ASN A 18 -4.258 -2.574 -4.914 1.00 0.00 C ATOM 254 CG ASN A 18 -4.003 -2.084 -6.333 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.197 -1.180 -6.551 1.00 0.00 O ATOM 256 ND2 ASN A 18 -4.627 -2.702 -7.302 1.00 0.00 N ATOM 0 H ASN A 18 -4.821 -5.005 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.386 -3.578 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.310 -2.840 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.064 -1.762 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.451 -2.438 -8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.289 -3.448 -7.088 1.00 0.00 H new ATOM 263 N SER A 19 -3.674 -5.100 -2.546 1.00 0.00 N ATOM 264 CA SER A 19 -3.601 -5.324 -1.101 1.00 0.00 C ATOM 265 C SER A 19 -2.147 -5.359 -0.608 1.00 0.00 C ATOM 266 O SER A 19 -1.883 -5.269 0.614 1.00 0.00 O ATOM 267 CB SER A 19 -4.359 -6.585 -0.671 1.00 0.00 C ATOM 268 OG SER A 19 -3.765 -7.750 -1.185 1.00 0.00 O ATOM 0 H SER A 19 -4.029 -5.886 -3.090 1.00 0.00 H new ATOM 0 HA SER A 19 -4.095 -4.475 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.386 -6.640 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.392 -6.522 -1.012 1.00 0.00 H new ATOM 0 HG SER A 19 -3.663 -7.664 -2.156 1.00 0.00 H new ATOM 274 N CYS A 20 -1.208 -5.511 -1.547 1.00 0.00 N ATOM 275 CA CYS A 20 0.186 -5.472 -1.216 1.00 0.00 C ATOM 276 C CYS A 20 1.022 -4.512 -1.978 1.00 0.00 C ATOM 277 O CYS A 20 2.051 -4.840 -2.562 1.00 0.00 O ATOM 278 CB CYS A 20 0.816 -6.794 -1.029 1.00 0.00 C ATOM 279 SG CYS A 20 0.369 -7.481 0.589 1.00 0.00 S ATOM 0 H CYS A 20 -1.406 -5.661 -2.536 1.00 0.00 H new ATOM 0 HA CYS A 20 0.158 -5.028 -0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.496 -7.472 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.899 -6.702 -1.106 1.00 0.00 H new ATOM 284 N LYS A 21 0.524 -3.360 -2.033 1.00 0.00 N ATOM 285 CA LYS A 21 1.251 -2.203 -2.375 1.00 0.00 C ATOM 286 C LYS A 21 1.051 -1.318 -1.261 1.00 0.00 C ATOM 287 O LYS A 21 0.189 -1.564 -0.398 1.00 0.00 O ATOM 288 CB LYS A 21 0.727 -1.600 -3.628 1.00 0.00 C ATOM 289 CG LYS A 21 0.899 -2.465 -4.840 1.00 0.00 C ATOM 290 CD LYS A 21 -0.123 -2.082 -5.841 1.00 0.00 C ATOM 291 CE LYS A 21 -0.035 -2.914 -7.108 1.00 0.00 C ATOM 292 NZ LYS A 21 -0.132 -4.361 -6.834 1.00 0.00 N ATOM 0 H LYS A 21 -0.458 -3.174 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 21 2.305 -2.413 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.333 -1.381 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.230 -0.648 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.900 -2.342 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.792 -3.516 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.115 -2.195 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.003 -1.028 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.834 -2.621 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.908 -2.704 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.581 -4.838 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.821 -4.751 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.704 -4.515 -5.979 1.00 0.00 H new ATOM 306 N VAL A 22 1.828 -0.348 -1.220 1.00 0.00 N ATOM 307 CA VAL A 22 1.762 0.548 -0.186 1.00 0.00 C ATOM 308 C VAL A 22 0.658 1.492 -0.414 1.00 0.00 C ATOM 309 O VAL A 22 0.723 2.349 -1.263 1.00 0.00 O ATOM 310 CB VAL A 22 3.067 1.250 -0.011 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.929 2.277 1.103 1.00 0.00 C ATOM 312 CG2 VAL A 22 4.152 0.188 0.262 1.00 0.00 C ATOM 0 H VAL A 22 2.544 -0.149 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 22 1.561 0.012 0.741 1.00 0.00 H new ATOM 0 HB VAL A 22 3.363 1.797 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.878 2.796 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.155 2.998 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.655 1.774 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.116 0.679 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.900 -0.365 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.207 -0.501 -0.581 1.00 0.00 H new ATOM 322 N CYS A 23 -0.368 1.250 0.262 1.00 0.00 N ATOM 323 CA CYS A 23 -1.502 2.103 0.227 1.00 0.00 C ATOM 324 C CYS A 23 -1.479 3.011 1.446 1.00 0.00 C ATOM 325 O CYS A 23 -0.875 2.687 2.485 1.00 0.00 O ATOM 326 CB CYS A 23 -2.803 1.311 0.185 1.00 0.00 C ATOM 327 SG CYS A 23 -2.910 -0.004 -1.115 1.00 0.00 S ATOM 0 H CYS A 23 -0.468 0.441 0.876 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.457 2.700 -0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.953 0.845 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.626 2.010 0.036 1.00 0.00 H new ATOM 332 N CYS A 24 -2.130 4.112 1.329 1.00 0.00 N ATOM 333 CA CYS A 24 -2.193 5.088 2.330 1.00 0.00 C ATOM 334 C CYS A 24 -3.641 5.434 2.502 1.00 0.00 C ATOM 335 O CYS A 24 -4.457 5.145 1.617 1.00 0.00 O ATOM 336 CB CYS A 24 -1.390 6.320 1.931 1.00 0.00 C ATOM 337 SG CYS A 24 0.390 6.036 1.640 1.00 0.00 S ATOM 0 H CYS A 24 -2.654 4.358 0.489 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.767 4.718 3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.826 6.739 1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.497 7.071 2.713 1.00 0.00 H new ATOM 342 N ARG A 25 -3.966 6.055 3.578 1.00 0.00 N ATOM 343 CA ARG A 25 -5.313 6.289 3.907 1.00 0.00 C ATOM 344 C ARG A 25 -5.526 7.764 3.853 1.00 0.00 C ATOM 345 O ARG A 25 -4.795 8.527 4.500 1.00 0.00 O ATOM 346 CB ARG A 25 -5.568 5.708 5.285 1.00 0.00 C ATOM 347 CG ARG A 25 -7.005 5.386 5.584 1.00 0.00 C ATOM 348 CD ARG A 25 -7.730 6.559 6.220 1.00 0.00 C ATOM 349 NE ARG A 25 -7.149 6.940 7.516 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.327 8.111 8.140 1.00 0.00 C ATOM 351 NH1 ARG A 25 -7.959 9.120 7.520 1.00 0.00 N ATOM 352 NH2 ARG A 25 -6.809 8.297 9.354 1.00 0.00 N ATOM 0 H ARG A 25 -3.295 6.415 4.256 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.012 5.814 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.978 4.798 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.207 6.414 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.513 5.103 4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.053 4.525 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.696 7.414 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.781 6.303 6.357 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.558 6.251 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.306 8.997 6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.092 10.010 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.280 7.549 9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.941 9.187 9.834 1.00 0.00 H new ATOM 366 N ASP A 26 -6.482 8.168 3.078 1.00 0.00 N ATOM 367 CA ASP A 26 -6.701 9.542 2.819 1.00 0.00 C ATOM 368 C ASP A 26 -7.686 10.113 3.827 1.00 0.00 C ATOM 369 O ASP A 26 -8.116 9.443 4.778 1.00 0.00 O ATOM 370 CB ASP A 26 -7.196 9.758 1.352 1.00 0.00 C ATOM 371 CG ASP A 26 -8.712 9.733 1.208 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.308 8.672 1.356 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.311 10.816 1.017 1.00 0.00 O ATOM 0 H ASP A 26 -7.135 7.542 2.606 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.757 10.075 2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.821 10.715 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.766 8.985 0.715 1.00 0.00 H new ATOM 378 N LEU A 27 -8.024 11.310 3.582 1.00 0.00 N ATOM 379 CA LEU A 27 -8.883 12.147 4.378 1.00 0.00 C ATOM 380 C LEU A 27 -10.259 11.561 4.479 1.00 0.00 C ATOM 381 O LEU A 27 -10.826 11.450 5.563 1.00 0.00 O ATOM 382 CB LEU A 27 -9.024 13.470 3.693 1.00 0.00 C ATOM 383 CG LEU A 27 -7.754 14.104 3.189 1.00 0.00 C ATOM 384 CD1 LEU A 27 -8.116 15.052 2.093 1.00 0.00 C ATOM 385 CD2 LEU A 27 -7.034 14.822 4.314 1.00 0.00 C ATOM 0 H LEU A 27 -7.688 11.794 2.749 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.445 12.240 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.702 13.347 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.500 14.164 4.386 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.076 13.341 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.213 15.526 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.610 14.507 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.790 15.816 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.119 15.274 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.680 15.600 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.785 14.109 5.100 1.00 0.00 H new ATOM 397 N SER A 28 -10.754 11.153 3.336 1.00 0.00 N ATOM 398 CA SER A 28 -12.067 10.620 3.165 1.00 0.00 C ATOM 399 C SER A 28 -12.118 9.235 3.783 1.00 0.00 C ATOM 400 O SER A 28 -13.182 8.640 3.974 1.00 0.00 O ATOM 401 CB SER A 28 -12.322 10.524 1.677 1.00 0.00 C ATOM 402 OG SER A 28 -11.962 11.732 1.029 1.00 0.00 O ATOM 0 H SER A 28 -10.222 11.189 2.466 1.00 0.00 H new ATOM 0 HA SER A 28 -12.817 11.250 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.751 9.696 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.375 10.308 1.496 1.00 0.00 H new ATOM 0 HG SER A 28 -11.016 11.698 0.776 1.00 0.00 H new ATOM 408 N GLY A 29 -10.948 8.747 4.095 1.00 0.00 N ATOM 409 CA GLY A 29 -10.783 7.494 4.672 1.00 0.00 C ATOM 410 C GLY A 29 -10.887 6.359 3.679 1.00 0.00 C ATOM 411 O GLY A 29 -11.503 5.321 3.958 1.00 0.00 O ATOM 0 H GLY A 29 -10.073 9.247 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.809 7.452 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.535 7.358 5.449 1.00 0.00 H new ATOM 415 N ARG A 30 -10.381 6.577 2.498 1.00 0.00 N ATOM 416 CA ARG A 30 -10.294 5.564 1.474 1.00 0.00 C ATOM 417 C ARG A 30 -8.857 5.087 1.387 1.00 0.00 C ATOM 418 O ARG A 30 -7.961 5.654 2.035 1.00 0.00 O ATOM 419 CB ARG A 30 -10.739 6.099 0.082 1.00 0.00 C ATOM 420 CG ARG A 30 -12.241 5.998 -0.298 1.00 0.00 C ATOM 421 CD ARG A 30 -13.204 6.789 0.595 1.00 0.00 C ATOM 422 NE ARG A 30 -13.370 6.190 1.923 1.00 0.00 N ATOM 423 CZ ARG A 30 -14.492 6.183 2.655 1.00 0.00 C ATOM 424 NH1 ARG A 30 -15.629 6.704 2.169 1.00 0.00 N ATOM 425 NH2 ARG A 30 -14.463 5.661 3.883 1.00 0.00 N ATOM 0 H ARG A 30 -10.008 7.482 2.210 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.965 4.748 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.450 7.148 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.167 5.566 -0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.361 6.341 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.533 4.948 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.835 7.809 0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.176 6.853 0.106 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.552 5.735 2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.645 7.111 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.478 6.693 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.594 5.274 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.309 5.649 4.452 1.00 0.00 H new ATOM 439 N CYS A 31 -8.642 4.065 0.612 1.00 0.00 N ATOM 440 CA CYS A 31 -7.328 3.544 0.396 1.00 0.00 C ATOM 441 C CYS A 31 -6.809 3.931 -0.935 1.00 0.00 C ATOM 442 O CYS A 31 -7.410 3.625 -1.970 1.00 0.00 O ATOM 443 CB CYS A 31 -7.269 2.039 0.579 1.00 0.00 C ATOM 444 SG CYS A 31 -7.010 1.555 2.291 1.00 0.00 S ATOM 0 H CYS A 31 -9.378 3.568 0.110 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.686 3.988 1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.198 1.597 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.464 1.634 -0.034 1.00 0.00 H new ATOM 449 N VAL A 32 -5.719 4.616 -0.909 1.00 0.00 N ATOM 450 CA VAL A 32 -5.064 5.052 -2.058 1.00 0.00 C ATOM 451 C VAL A 32 -3.669 4.519 -2.110 1.00 0.00 C ATOM 452 O VAL A 32 -2.969 4.560 -1.120 1.00 0.00 O ATOM 453 CB VAL A 32 -5.056 6.586 -2.235 1.00 0.00 C ATOM 454 CG1 VAL A 32 -6.347 7.017 -2.883 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.862 7.298 -0.878 1.00 0.00 C ATOM 0 H VAL A 32 -5.254 4.891 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.642 4.653 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.219 6.866 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.347 8.100 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.443 6.537 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.186 6.726 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.860 8.377 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.676 7.028 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.912 6.992 -0.439 1.00 0.00 H new ATOM 465 N PRO A 33 -3.267 3.975 -3.243 1.00 0.00 N ATOM 466 CA PRO A 33 -1.905 3.481 -3.432 1.00 0.00 C ATOM 467 C PRO A 33 -0.929 4.653 -3.353 1.00 0.00 C ATOM 468 O PRO A 33 -1.131 5.669 -4.032 1.00 0.00 O ATOM 469 CB PRO A 33 -1.930 2.892 -4.855 1.00 0.00 C ATOM 470 CG PRO A 33 -3.097 3.545 -5.529 1.00 0.00 C ATOM 471 CD PRO A 33 -4.103 3.815 -4.446 1.00 0.00 C ATOM 0 HA PRO A 33 -1.593 2.752 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.001 3.102 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.045 1.808 -4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.796 4.470 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.516 2.896 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.687 4.712 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.810 2.992 -4.339 1.00 0.00 H new ATOM 479 N TYR A 34 0.083 4.554 -2.505 1.00 0.00 N ATOM 480 CA TYR A 34 1.007 5.642 -2.347 1.00 0.00 C ATOM 481 C TYR A 34 1.825 5.949 -3.565 1.00 0.00 C ATOM 482 O TYR A 34 2.408 5.069 -4.205 1.00 0.00 O ATOM 483 CB TYR A 34 1.880 5.466 -1.104 1.00 0.00 C ATOM 484 CG TYR A 34 3.302 6.007 -1.178 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.600 7.372 -1.352 1.00 0.00 C ATOM 486 CD2 TYR A 34 4.367 5.138 -1.065 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.861 7.788 -1.410 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.645 5.592 -1.126 1.00 0.00 C ATOM 489 CZ TYR A 34 5.886 6.903 -1.296 1.00 0.00 C ATOM 490 OH TYR A 34 7.166 7.332 -1.353 1.00 0.00 O ATOM 0 H TYR A 34 0.276 3.737 -1.926 1.00 0.00 H new ATOM 0 HA TYR A 34 0.382 6.523 -2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.377 5.948 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.934 4.402 -0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.796 8.088 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.182 4.083 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.073 8.838 -1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.469 4.899 -1.038 1.00 0.00 H new ATOM 0 HH TYR A 34 7.220 8.247 -1.006 1.00 0.00 H new ATOM 500 N VAL A 35 1.818 7.207 -3.878 1.00 0.00 N ATOM 501 CA VAL A 35 2.647 7.793 -4.814 1.00 0.00 C ATOM 502 C VAL A 35 2.873 9.129 -4.250 1.00 0.00 C ATOM 503 O VAL A 35 1.985 9.658 -3.584 1.00 0.00 O ATOM 504 CB VAL A 35 2.007 8.038 -6.185 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.904 7.610 -7.298 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.591 7.500 -6.323 1.00 0.00 C ATOM 0 H VAL A 35 1.180 7.873 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 35 3.510 7.148 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 35 1.889 9.119 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.415 7.800 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.837 8.172 -7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.117 6.545 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.215 7.717 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.594 6.422 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.053 7.975 -5.583 1.00 0.00 H new ATOM 516 N ASP A 36 4.006 9.641 -4.431 1.00 0.00 N ATOM 517 CA ASP A 36 4.256 10.967 -4.049 1.00 0.00 C ATOM 518 C ASP A 36 4.356 11.722 -5.269 1.00 0.00 C ATOM 519 O ASP A 36 4.108 11.190 -6.360 1.00 0.00 O ATOM 520 CB ASP A 36 5.414 11.038 -3.028 1.00 0.00 C ATOM 521 CG ASP A 36 5.809 12.418 -2.476 1.00 0.00 C ATOM 522 OD1 ASP A 36 4.997 13.352 -2.544 1.00 0.00 O ATOM 523 OD2 ASP A 36 6.939 12.546 -1.948 1.00 0.00 O ATOM 0 H ASP A 36 4.799 9.157 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 36 3.456 11.435 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.152 10.403 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.297 10.600 -3.494 1.00 0.00 H new ATOM 528 N ALA A 37 4.610 12.896 -5.117 1.00 0.00 N ATOM 529 CA ALA A 37 4.484 13.858 -6.103 1.00 0.00 C ATOM 530 C ALA A 37 5.326 13.616 -7.367 1.00 0.00 C ATOM 531 O ALA A 37 5.014 14.130 -8.447 1.00 0.00 O ATOM 532 CB ALA A 37 4.776 15.130 -5.464 1.00 0.00 C ATOM 0 H ALA A 37 4.944 13.274 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 37 3.470 13.831 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.692 15.933 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.067 15.302 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.789 15.111 -5.061 1.00 0.00 H new ATOM 538 N GLU A 38 6.362 12.827 -7.226 1.00 0.00 N ATOM 539 CA GLU A 38 7.231 12.506 -8.257 1.00 0.00 C ATOM 540 C GLU A 38 6.803 11.230 -8.957 1.00 0.00 C ATOM 541 O GLU A 38 7.449 10.782 -9.909 1.00 0.00 O ATOM 542 CB GLU A 38 8.572 12.340 -7.674 1.00 0.00 C ATOM 543 CG GLU A 38 8.802 11.049 -6.917 1.00 0.00 C ATOM 544 CD GLU A 38 8.120 10.969 -5.604 1.00 0.00 C ATOM 545 OE1 GLU A 38 8.608 11.546 -4.642 1.00 0.00 O ATOM 546 OE2 GLU A 38 7.096 10.272 -5.514 1.00 0.00 O ATOM 0 H GLU A 38 6.606 12.388 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 38 7.229 13.300 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.308 12.406 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.761 13.175 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.467 10.217 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.873 10.921 -6.763 1.00 0.00 H new ATOM 553 N GLN A 39 5.736 10.650 -8.427 1.00 0.00 N ATOM 554 CA GLN A 39 5.108 9.485 -8.882 1.00 0.00 C ATOM 555 C GLN A 39 5.881 8.219 -8.516 1.00 0.00 C ATOM 556 O GLN A 39 5.852 7.219 -9.236 1.00 0.00 O ATOM 557 CB GLN A 39 4.788 9.633 -10.321 1.00 0.00 C ATOM 558 CG GLN A 39 3.728 10.688 -10.553 1.00 0.00 C ATOM 559 CD GLN A 39 3.450 10.970 -12.017 1.00 0.00 C ATOM 560 OE1 GLN A 39 3.567 10.104 -12.871 1.00 0.00 O ATOM 561 NE2 GLN A 39 3.088 12.192 -12.317 1.00 0.00 N ATOM 0 H GLN A 39 5.275 11.037 -7.604 1.00 0.00 H new ATOM 0 HA GLN A 39 4.160 9.352 -8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.692 9.898 -10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.444 8.678 -10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.803 10.371 -10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.038 11.613 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.999 12.893 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.895 12.443 -13.287 1.00 0.00 H new ATOM 570 N LYS A 40 6.505 8.239 -7.332 1.00 0.00 N ATOM 571 CA LYS A 40 7.151 7.051 -6.828 1.00 0.00 C ATOM 572 C LYS A 40 6.139 6.210 -6.130 1.00 0.00 C ATOM 573 O LYS A 40 5.256 6.719 -5.459 1.00 0.00 O ATOM 574 CB LYS A 40 8.316 7.353 -5.884 1.00 0.00 C ATOM 575 CG LYS A 40 8.076 7.099 -4.378 1.00 0.00 C ATOM 576 CD LYS A 40 9.299 7.427 -3.499 1.00 0.00 C ATOM 577 CE LYS A 40 9.541 8.929 -3.360 1.00 0.00 C ATOM 578 NZ LYS A 40 8.387 9.649 -2.739 1.00 0.00 N ATOM 0 H LYS A 40 6.569 9.056 -6.724 1.00 0.00 H new ATOM 0 HA LYS A 40 7.575 6.522 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.171 6.754 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.595 8.399 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.228 7.699 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.803 6.054 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.156 6.993 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.185 6.959 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.433 9.094 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.740 9.353 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.348 10.622 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.503 9.155 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.507 9.672 -1.706 1.00 0.00 H new ATOM 592 N ASN A 41 6.288 4.959 -6.251 1.00 0.00 N ATOM 593 CA ASN A 41 5.355 4.042 -5.700 1.00 0.00 C ATOM 594 C ASN A 41 6.141 2.999 -4.928 1.00 0.00 C ATOM 595 O ASN A 41 7.376 3.042 -4.928 1.00 0.00 O ATOM 596 CB ASN A 41 4.636 3.406 -6.860 1.00 0.00 C ATOM 597 CG ASN A 41 3.404 2.572 -6.500 1.00 0.00 C ATOM 598 OD1 ASN A 41 3.486 1.367 -6.300 1.00 0.00 O ATOM 599 ND2 ASN A 41 2.275 3.211 -6.389 1.00 0.00 N ATOM 0 H ASN A 41 7.069 4.523 -6.741 1.00 0.00 H new ATOM 0 HA ASN A 41 4.638 4.519 -5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.331 4.193 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.340 2.769 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.427 2.707 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.238 4.216 -6.562 1.00 0.00 H new ATOM 606 N LEU A 42 5.456 2.061 -4.333 1.00 0.00 N ATOM 607 CA LEU A 42 6.073 1.025 -3.527 1.00 0.00 C ATOM 608 C LEU A 42 5.263 -0.240 -3.528 1.00 0.00 C ATOM 609 O LEU A 42 4.031 -0.225 -3.308 1.00 0.00 O ATOM 610 CB LEU A 42 6.191 1.406 -2.066 1.00 0.00 C ATOM 611 CG LEU A 42 7.121 2.499 -1.631 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.950 2.665 -0.130 1.00 0.00 C ATOM 613 CD2 LEU A 42 8.567 2.150 -1.959 1.00 0.00 C ATOM 0 H LEU A 42 4.440 1.987 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 42 7.055 0.888 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.193 1.680 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.478 0.506 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 42 6.885 3.424 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.612 3.454 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.916 2.931 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.199 1.729 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.220 2.960 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.845 1.230 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.672 2.010 -3.035 1.00 0.00 H new ATOM 625 N PHE A 43 5.940 -1.308 -3.770 1.00 0.00 N ATOM 626 CA PHE A 43 5.457 -2.598 -3.579 1.00 0.00 C ATOM 627 C PHE A 43 5.516 -2.894 -2.068 1.00 0.00 C ATOM 628 O PHE A 43 6.340 -2.298 -1.350 1.00 0.00 O ATOM 629 CB PHE A 43 6.375 -3.541 -4.363 1.00 0.00 C ATOM 630 CG PHE A 43 7.827 -3.579 -3.888 1.00 0.00 C ATOM 631 CD1 PHE A 43 8.239 -4.474 -2.908 1.00 0.00 C ATOM 632 CD2 PHE A 43 8.768 -2.709 -4.425 1.00 0.00 C ATOM 633 CE1 PHE A 43 9.549 -4.497 -2.475 1.00 0.00 C ATOM 634 CE2 PHE A 43 10.081 -2.732 -3.996 1.00 0.00 C ATOM 635 CZ PHE A 43 10.471 -3.626 -3.019 1.00 0.00 C ATOM 0 H PHE A 43 6.896 -1.285 -4.125 1.00 0.00 H new ATOM 0 HA PHE A 43 4.431 -2.723 -3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.965 -4.550 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.360 -3.247 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.524 -5.161 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.469 -2.005 -5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.853 -5.197 -1.710 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.802 -2.051 -4.425 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.497 -3.644 -2.681 1.00 0.00 H new ATOM 645 N LEU A 44 4.660 -3.740 -1.573 1.00 0.00 N ATOM 646 CA LEU A 44 4.731 -4.108 -0.234 1.00 0.00 C ATOM 647 C LEU A 44 5.534 -5.415 -0.156 1.00 0.00 C ATOM 648 O LEU A 44 6.005 -5.934 -1.167 1.00 0.00 O ATOM 649 CB LEU A 44 3.338 -4.273 0.386 1.00 0.00 C ATOM 650 CG LEU A 44 3.223 -4.230 1.924 1.00 0.00 C ATOM 651 CD1 LEU A 44 3.802 -2.939 2.483 1.00 0.00 C ATOM 652 CD2 LEU A 44 1.766 -4.361 2.333 1.00 0.00 C ATOM 0 H LEU A 44 3.906 -4.179 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 44 5.224 -3.324 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.697 -3.490 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.932 -5.226 0.047 1.00 0.00 H new ATOM 0 HG LEU A 44 3.795 -5.063 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.707 -2.938 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.855 -2.865 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.260 -2.088 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.689 -4.330 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.193 -3.539 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.369 -5.308 1.968 1.00 0.00 H new ATOM 664 N ARG A 45 5.680 -5.927 1.007 1.00 0.00 N ATOM 665 CA ARG A 45 6.400 -7.137 1.233 1.00 0.00 C ATOM 666 C ARG A 45 5.495 -8.361 1.074 1.00 0.00 C ATOM 667 O ARG A 45 4.265 -8.242 1.119 1.00 0.00 O ATOM 668 CB ARG A 45 6.994 -7.097 2.607 1.00 0.00 C ATOM 669 CG ARG A 45 8.143 -6.113 2.764 1.00 0.00 C ATOM 670 CD ARG A 45 8.713 -6.144 4.174 1.00 0.00 C ATOM 671 NE ARG A 45 9.825 -5.183 4.345 1.00 0.00 N ATOM 672 CZ ARG A 45 10.631 -5.109 5.428 1.00 0.00 C ATOM 673 NH1 ARG A 45 10.468 -5.962 6.450 1.00 0.00 N ATOM 674 NH2 ARG A 45 11.600 -4.183 5.479 1.00 0.00 N ATOM 0 H ARG A 45 5.295 -5.511 1.855 1.00 0.00 H new ATOM 0 HA ARG A 45 7.193 -7.223 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.211 -6.841 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.348 -8.095 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.929 -6.352 2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.796 -5.106 2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.923 -5.915 4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.066 -7.150 4.400 1.00 0.00 H new ATOM 0 HE ARG A 45 9.997 -4.524 3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.734 -6.669 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.078 -5.903 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.728 -3.536 4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.209 -4.126 6.296 1.00 0.00 H new ATOM 688 N LYS A 46 6.103 -9.539 0.935 1.00 0.00 N ATOM 689 CA LYS A 46 5.324 -10.750 0.741 1.00 0.00 C ATOM 690 C LYS A 46 4.978 -11.397 2.059 1.00 0.00 C ATOM 691 O LYS A 46 5.637 -11.152 3.067 1.00 0.00 O ATOM 692 CB LYS A 46 5.978 -11.766 -0.271 1.00 0.00 C ATOM 693 CG LYS A 46 7.293 -12.502 0.098 1.00 0.00 C ATOM 694 CD LYS A 46 7.135 -13.608 1.180 1.00 0.00 C ATOM 695 CE LYS A 46 5.957 -14.588 0.916 1.00 0.00 C ATOM 696 NZ LYS A 46 6.003 -15.281 -0.401 1.00 0.00 N ATOM 0 H LYS A 46 7.114 -9.675 0.953 1.00 0.00 H new ATOM 0 HA LYS A 46 4.392 -10.440 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.231 -12.529 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.161 -11.224 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.708 -12.952 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.018 -11.768 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.062 -14.178 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.989 -13.134 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.944 -15.339 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.020 -14.035 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.356 -16.095 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.714 -14.621 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.972 -15.612 -0.586 1.00 0.00 H new ATOM 710 N GLY A 47 3.961 -12.231 2.034 1.00 0.00 N ATOM 711 CA GLY A 47 3.512 -12.917 3.215 1.00 0.00 C ATOM 712 C GLY A 47 2.597 -12.057 4.023 1.00 0.00 C ATOM 713 O GLY A 47 2.236 -12.395 5.141 1.00 0.00 O ATOM 0 H GLY A 47 3.426 -12.449 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.997 -13.835 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.371 -13.207 3.820 1.00 0.00 H new ATOM 717 N LYS A 48 2.214 -10.934 3.455 1.00 0.00 N ATOM 718 CA LYS A 48 1.339 -10.029 4.144 1.00 0.00 C ATOM 719 C LYS A 48 -0.078 -10.495 3.887 1.00 0.00 C ATOM 720 O LYS A 48 -0.448 -10.625 2.741 1.00 0.00 O ATOM 721 CB LYS A 48 1.549 -8.623 3.573 1.00 0.00 C ATOM 722 CG LYS A 48 1.284 -7.455 4.554 1.00 0.00 C ATOM 723 CD LYS A 48 -0.191 -7.246 4.989 1.00 0.00 C ATOM 724 CE LYS A 48 -1.051 -6.460 3.969 1.00 0.00 C ATOM 725 NZ LYS A 48 -1.480 -7.250 2.787 1.00 0.00 N ATOM 0 H LYS A 48 2.496 -10.633 2.522 1.00 0.00 H new ATOM 0 HA LYS A 48 1.537 -10.007 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.575 -8.546 3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.898 -8.501 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.885 -7.616 5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.639 -6.533 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.649 -8.220 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.205 -6.717 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.937 -6.080 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.484 -5.595 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.244 -6.747 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.674 -7.376 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.823 -8.181 3.098 1.00 0.00 H new ATOM 739 N PRO A 49 -0.869 -10.796 4.940 1.00 0.00 N ATOM 740 CA PRO A 49 -2.275 -11.222 4.787 1.00 0.00 C ATOM 741 C PRO A 49 -3.038 -10.292 3.841 1.00 0.00 C ATOM 742 O PRO A 49 -3.058 -9.061 4.032 1.00 0.00 O ATOM 743 CB PRO A 49 -2.824 -11.115 6.207 1.00 0.00 C ATOM 744 CG PRO A 49 -1.645 -11.371 7.078 1.00 0.00 C ATOM 745 CD PRO A 49 -0.457 -10.783 6.361 1.00 0.00 C ATOM 0 HA PRO A 49 -2.372 -12.219 4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.251 -10.130 6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.615 -11.844 6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.777 -10.910 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.509 -12.440 7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.240 -9.772 6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.443 -11.376 6.523 1.00 0.00 H new ATOM 753 N CYS A 50 -3.587 -10.846 2.812 1.00 0.00 N ATOM 754 CA CYS A 50 -4.266 -10.094 1.832 1.00 0.00 C ATOM 755 C CYS A 50 -5.721 -10.485 1.805 1.00 0.00 C ATOM 756 O CYS A 50 -6.227 -11.070 2.758 1.00 0.00 O ATOM 757 CB CYS A 50 -3.618 -10.267 0.446 1.00 0.00 C ATOM 758 SG CYS A 50 -3.842 -11.878 -0.377 1.00 0.00 S ATOM 0 H CYS A 50 -3.572 -11.850 2.633 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.192 -9.038 2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.013 -9.493 -0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.548 -10.084 0.547 1.00 0.00 H new ATOM 763 N THR A 51 -6.364 -10.157 0.725 1.00 0.00 N ATOM 764 CA THR A 51 -7.750 -10.394 0.494 1.00 0.00 C ATOM 765 C THR A 51 -8.072 -11.883 0.502 1.00 0.00 C ATOM 766 O THR A 51 -8.977 -12.351 1.184 1.00 0.00 O ATOM 767 CB THR A 51 -8.054 -9.829 -0.908 1.00 0.00 C ATOM 768 OG1 THR A 51 -7.105 -10.390 -1.839 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.851 -8.348 -0.912 1.00 0.00 C ATOM 0 H THR A 51 -5.907 -9.692 -0.059 1.00 0.00 H new ATOM 0 HA THR A 51 -8.345 -9.925 1.277 1.00 0.00 H new ATOM 0 HB THR A 51 -9.081 -10.073 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.497 -10.405 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.067 -7.954 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.520 -7.887 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.818 -8.122 -0.649 1.00 0.00 H new ATOM 777 N VAL A 52 -7.311 -12.590 -0.268 1.00 0.00 N ATOM 778 CA VAL A 52 -7.547 -13.982 -0.525 1.00 0.00 C ATOM 779 C VAL A 52 -6.534 -14.926 0.151 1.00 0.00 C ATOM 780 O VAL A 52 -6.650 -16.136 0.023 1.00 0.00 O ATOM 781 CB VAL A 52 -7.576 -14.219 -2.054 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.708 -13.401 -2.683 1.00 0.00 C ATOM 783 CG2 VAL A 52 -6.237 -13.843 -2.699 1.00 0.00 C ATOM 0 H VAL A 52 -6.492 -12.214 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.512 -14.227 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.750 -15.280 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.725 -13.571 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.661 -13.708 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.545 -12.342 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.288 -14.020 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.028 -12.789 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.442 -14.452 -2.268 1.00 0.00 H new ATOM 793 N GLY A 53 -5.589 -14.377 0.884 1.00 0.00 N ATOM 794 CA GLY A 53 -4.585 -15.184 1.519 1.00 0.00 C ATOM 795 C GLY A 53 -3.411 -14.353 1.977 1.00 0.00 C ATOM 796 O GLY A 53 -3.554 -13.510 2.865 1.00 0.00 O ATOM 0 H GLY A 53 -5.500 -13.375 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.021 -15.702 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.240 -15.950 0.824 1.00 0.00 H new ATOM 800 N PHE A 54 -2.273 -14.567 1.385 1.00 0.00 N ATOM 801 CA PHE A 54 -1.065 -13.791 1.679 1.00 0.00 C ATOM 802 C PHE A 54 -0.612 -13.135 0.400 1.00 0.00 C ATOM 803 O PHE A 54 -1.050 -13.516 -0.630 1.00 0.00 O ATOM 804 CB PHE A 54 0.049 -14.682 2.243 1.00 0.00 C ATOM 805 CG PHE A 54 -0.296 -15.334 3.552 1.00 0.00 C ATOM 806 CD1 PHE A 54 -0.169 -14.636 4.741 1.00 0.00 C ATOM 807 CD2 PHE A 54 -0.755 -16.642 3.594 1.00 0.00 C ATOM 808 CE1 PHE A 54 -0.489 -15.226 5.947 1.00 0.00 C ATOM 809 CE2 PHE A 54 -1.078 -17.239 4.796 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.944 -16.529 5.975 1.00 0.00 C ATOM 0 H PHE A 54 -2.137 -15.287 0.676 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.290 -13.040 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.285 -15.457 1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.950 -14.082 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.185 -13.616 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.861 -17.200 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.384 -14.670 6.867 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.435 -18.258 4.816 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.195 -16.994 6.917 1.00 0.00 H new ATOM 820 N CYS A 55 0.219 -12.139 0.459 1.00 0.00 N ATOM 821 CA CYS A 55 0.632 -11.481 -0.779 1.00 0.00 C ATOM 822 C CYS A 55 2.028 -11.831 -1.158 1.00 0.00 C ATOM 823 O CYS A 55 2.788 -12.384 -0.369 1.00 0.00 O ATOM 824 CB CYS A 55 0.721 -10.006 -0.620 1.00 0.00 C ATOM 825 SG CYS A 55 -0.623 -9.139 0.134 1.00 0.00 S ATOM 0 H CYS A 55 0.624 -11.760 1.315 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.113 -11.801 -1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.618 -9.792 -0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.874 -9.578 -1.611 1.00 0.00 H new ATOM 830 N ASP A 56 2.381 -11.430 -2.348 1.00 0.00 N ATOM 831 CA ASP A 56 3.743 -11.408 -2.755 1.00 0.00 C ATOM 832 C ASP A 56 4.131 -9.907 -2.866 1.00 0.00 C ATOM 833 O ASP A 56 3.343 -9.044 -2.477 1.00 0.00 O ATOM 834 CB ASP A 56 3.988 -12.171 -4.094 1.00 0.00 C ATOM 835 CG ASP A 56 3.938 -11.283 -5.341 1.00 0.00 C ATOM 836 OD1 ASP A 56 2.877 -10.785 -5.706 1.00 0.00 O ATOM 837 OD2 ASP A 56 5.008 -10.996 -5.904 1.00 0.00 O ATOM 0 H ASP A 56 1.724 -11.110 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 56 4.366 -11.929 -2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.962 -12.659 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.241 -12.959 -4.192 1.00 0.00 H new ATOM 842 N MET A 57 5.303 -9.613 -3.391 1.00 0.00 N ATOM 843 CA MET A 57 5.791 -8.237 -3.521 1.00 0.00 C ATOM 844 C MET A 57 5.041 -7.483 -4.630 1.00 0.00 C ATOM 845 O MET A 57 4.832 -6.278 -4.548 1.00 0.00 O ATOM 846 CB MET A 57 7.292 -8.263 -3.813 1.00 0.00 C ATOM 847 CG MET A 57 8.124 -8.803 -2.659 1.00 0.00 C ATOM 848 SD MET A 57 9.823 -9.228 -3.120 1.00 0.00 S ATOM 849 CE MET A 57 10.429 -7.675 -3.776 1.00 0.00 C ATOM 0 H MET A 57 5.952 -10.316 -3.743 1.00 0.00 H new ATOM 0 HA MET A 57 5.609 -7.709 -2.585 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.472 -8.874 -4.698 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.626 -7.253 -4.050 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.149 -8.060 -1.862 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.635 -9.689 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.729 -7.811 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.640 -6.925 -3.721 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.287 -7.343 -3.191 1.00 0.00 H new ATOM 859 N ASN A 58 4.618 -8.209 -5.649 1.00 0.00 N ATOM 860 CA ASN A 58 3.904 -7.622 -6.783 1.00 0.00 C ATOM 861 C ASN A 58 2.462 -7.318 -6.412 1.00 0.00 C ATOM 862 O ASN A 58 1.827 -6.405 -6.974 1.00 0.00 O ATOM 863 CB ASN A 58 3.915 -8.571 -7.993 1.00 0.00 C ATOM 864 CG ASN A 58 5.287 -8.797 -8.589 1.00 0.00 C ATOM 865 OD1 ASN A 58 5.698 -8.087 -9.492 1.00 0.00 O ATOM 866 ND2 ASN A 58 5.994 -9.782 -8.099 1.00 0.00 N ATOM 0 H ASN A 58 4.756 -9.217 -5.720 1.00 0.00 H new ATOM 0 HA ASN A 58 4.417 -6.697 -7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.499 -9.532 -7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.258 -8.167 -8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.923 -9.978 -8.472 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.617 -10.354 -7.344 1.00 0.00 H new ATOM 873 N GLY A 59 1.933 -8.096 -5.509 1.00 0.00 N ATOM 874 CA GLY A 59 0.582 -7.914 -5.065 1.00 0.00 C ATOM 875 C GLY A 59 -0.282 -9.104 -5.402 1.00 0.00 C ATOM 876 O GLY A 59 -1.484 -9.028 -5.384 1.00 0.00 O ATOM 0 H GLY A 59 2.425 -8.870 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.572 -7.751 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.165 -7.019 -5.527 1.00 0.00 H new ATOM 880 N LYS A 60 0.350 -10.197 -5.754 1.00 0.00 N ATOM 881 CA LYS A 60 -0.342 -11.449 -5.973 1.00 0.00 C ATOM 882 C LYS A 60 -0.571 -12.029 -4.666 1.00 0.00 C ATOM 883 O LYS A 60 -0.006 -11.586 -3.677 1.00 0.00 O ATOM 884 CB LYS A 60 0.454 -12.458 -6.838 1.00 0.00 C ATOM 885 CG LYS A 60 0.384 -12.330 -8.371 1.00 0.00 C ATOM 886 CD LYS A 60 0.960 -11.028 -8.938 1.00 0.00 C ATOM 887 CE LYS A 60 -0.039 -9.898 -8.864 1.00 0.00 C ATOM 888 NZ LYS A 60 0.516 -8.611 -9.321 1.00 0.00 N ATOM 0 H LYS A 60 1.359 -10.246 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.262 -11.243 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.502 -12.388 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.116 -13.460 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.918 -13.170 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.658 -12.414 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.859 -10.756 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.258 -11.183 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.909 -10.149 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.386 -9.794 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.261 -7.956 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.112 -8.204 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.090 -8.764 -10.175 1.00 0.00 H new ATOM 902 N CYS A 61 -1.365 -12.983 -4.644 1.00 0.00 N ATOM 903 CA CYS A 61 -1.708 -13.565 -3.450 1.00 0.00 C ATOM 904 C CYS A 61 -1.474 -15.050 -3.472 1.00 0.00 C ATOM 905 O CYS A 61 -1.591 -15.699 -4.524 1.00 0.00 O ATOM 906 CB CYS A 61 -3.101 -13.154 -3.083 1.00 0.00 C ATOM 907 SG CYS A 61 -3.253 -11.501 -2.297 1.00 0.00 S ATOM 0 H CYS A 61 -1.805 -13.392 -5.468 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.056 -13.205 -2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.715 -13.167 -3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.515 -13.900 -2.404 1.00 0.00 H new ATOM 912 N GLU A 62 -1.109 -15.531 -2.331 1.00 0.00 N ATOM 913 CA GLU A 62 -0.716 -16.861 -2.061 1.00 0.00 C ATOM 914 C GLU A 62 -1.797 -17.439 -1.166 1.00 0.00 C ATOM 915 O GLU A 62 -2.450 -18.412 -1.561 1.00 0.00 O ATOM 916 CB GLU A 62 0.658 -16.866 -1.315 1.00 0.00 C ATOM 917 CG GLU A 62 1.784 -16.072 -2.019 1.00 0.00 C ATOM 918 CD GLU A 62 3.107 -16.031 -1.236 1.00 0.00 C ATOM 919 OE1 GLU A 62 3.206 -15.340 -0.205 1.00 0.00 O ATOM 920 OE2 GLU A 62 4.118 -16.632 -1.672 1.00 0.00 O ATOM 921 OXT GLU A 62 -2.057 -16.809 -0.098 1.00 0.00 O ATOM 0 H GLU A 62 -1.078 -14.947 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.600 -17.443 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.514 -16.455 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.984 -17.899 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.967 -16.513 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.443 -15.051 -2.188 1.00 0.00 H new TER 928 GLU A 62