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 58 ASN : amide:sc= 1.14 K(o=0.37,f=-7.1) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -171:sc= -0.764 (180deg=-2.32!) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot -54:sc= -0.947! USER MOD Single : A 1 PHE N :NH3+ -154:sc= 0.878 (180deg=0.0275!) USER MOD Single : A 6 GLN : amide:sc= 0.666 K(o=0.67,f=-0.92) USER MOD Single : A 7 GLN : amide:sc= 0.86 K(o=0.86,f=-0.045) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 1.15 K(o=1.2,f=-0.18) USER MOD Single : A 19 SER OG : rot -0:sc= -0.872! USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0.969! (180deg=0.664!) USER MOD Single : A 28 SER OG : rot -24:sc= 0.539 USER MOD Single : A 34 TYR OH : rot -18:sc=0.000294 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 1.7 (180deg=1.53) USER MOD Single : A 41 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 0.336 (180deg=0.0154) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 0.971 (180deg=0.71) USER MOD Single : A 57 MET CE :methyl 170:sc= -0.0199 (180deg=-0.175) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 6.203 4.704 4.767 1.00 0.00 N ATOM 2 CA PHE A 1 5.554 4.291 3.532 1.00 0.00 C ATOM 3 C PHE A 1 4.382 5.203 3.181 1.00 0.00 C ATOM 4 O PHE A 1 4.199 5.564 2.027 1.00 0.00 O ATOM 5 CB PHE A 1 5.225 2.782 3.506 1.00 0.00 C ATOM 6 CG PHE A 1 4.603 2.194 4.743 1.00 0.00 C ATOM 7 CD1 PHE A 1 5.397 1.834 5.826 1.00 0.00 C ATOM 8 CD2 PHE A 1 3.246 1.969 4.813 1.00 0.00 C ATOM 9 CE1 PHE A 1 4.842 1.273 6.954 1.00 0.00 C ATOM 10 CE2 PHE A 1 2.689 1.400 5.938 1.00 0.00 C ATOM 11 CZ PHE A 1 3.485 1.054 7.010 1.00 0.00 C ATOM 0 H1 PHE A 1 7.195 4.391 4.759 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.167 5.740 4.848 1.00 0.00 H new ATOM 0 H3 PHE A 1 5.711 4.276 5.577 1.00 0.00 H new ATOM 0 HA PHE A 1 6.273 4.419 2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.552 2.597 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 1 6.147 2.238 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.464 1.997 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 1 2.614 2.240 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 1 5.469 1.006 7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 1 1.624 1.224 5.980 1.00 0.00 H new ATOM 0 HZ PHE A 1 3.044 0.612 7.891 1.00 0.00 H new ATOM 21 N CYS A 2 3.606 5.567 4.160 1.00 0.00 N ATOM 22 CA CYS A 2 2.619 6.593 4.000 1.00 0.00 C ATOM 23 C CYS A 2 2.955 7.795 4.870 1.00 0.00 C ATOM 24 O CYS A 2 2.732 8.946 4.470 1.00 0.00 O ATOM 25 CB CYS A 2 1.227 6.082 4.329 1.00 0.00 C ATOM 26 SG CYS A 2 0.576 4.912 3.120 1.00 0.00 S ATOM 0 H CYS A 2 3.640 5.159 5.094 1.00 0.00 H new ATOM 0 HA CYS A 2 2.627 6.898 2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.248 5.604 5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.547 6.930 4.403 1.00 0.00 H new ATOM 31 N GLU A 3 3.531 7.500 6.028 1.00 0.00 N ATOM 32 CA GLU A 3 3.840 8.466 7.086 1.00 0.00 C ATOM 33 C GLU A 3 4.756 9.570 6.570 1.00 0.00 C ATOM 34 O GLU A 3 4.346 10.698 6.385 1.00 0.00 O ATOM 35 CB GLU A 3 4.558 7.787 8.302 1.00 0.00 C ATOM 36 CG GLU A 3 4.267 6.295 8.553 1.00 0.00 C ATOM 37 CD GLU A 3 4.898 5.399 7.498 1.00 0.00 C ATOM 38 OE1 GLU A 3 6.122 5.273 7.447 1.00 0.00 O ATOM 39 OE2 GLU A 3 4.171 4.907 6.613 1.00 0.00 O ATOM 0 H GLU A 3 3.808 6.548 6.270 1.00 0.00 H new ATOM 0 HA GLU A 3 2.884 8.881 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.633 7.902 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.290 8.339 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.643 6.014 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.189 6.134 8.566 1.00 0.00 H new ATOM 46 N ARG A 4 5.986 9.208 6.323 1.00 0.00 N ATOM 47 CA ARG A 4 7.013 10.120 5.903 1.00 0.00 C ATOM 48 C ARG A 4 6.692 10.715 4.540 1.00 0.00 C ATOM 49 O ARG A 4 6.609 11.922 4.375 1.00 0.00 O ATOM 50 CB ARG A 4 8.325 9.348 5.819 1.00 0.00 C ATOM 51 CG ARG A 4 9.510 10.129 5.281 1.00 0.00 C ATOM 52 CD ARG A 4 10.650 9.181 4.941 1.00 0.00 C ATOM 53 NE ARG A 4 11.120 8.418 6.114 1.00 0.00 N ATOM 54 CZ ARG A 4 11.097 7.069 6.220 1.00 0.00 C ATOM 55 NH1 ARG A 4 10.436 6.326 5.324 1.00 0.00 N ATOM 56 NH2 ARG A 4 11.685 6.473 7.267 1.00 0.00 N ATOM 0 H ARG A 4 6.309 8.245 6.411 1.00 0.00 H new ATOM 0 HA ARG A 4 7.084 10.937 6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.575 8.982 6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.172 8.473 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.214 10.688 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.841 10.858 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.322 8.486 4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.481 9.751 4.526 1.00 0.00 H new ATOM 0 HE ARG A 4 11.490 8.947 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.944 6.776 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.425 5.310 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.148 7.036 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.670 5.457 7.350 1.00 0.00 H new ATOM 70 N GLU A 5 6.516 9.825 3.609 1.00 0.00 N ATOM 71 CA GLU A 5 6.324 10.067 2.228 1.00 0.00 C ATOM 72 C GLU A 5 5.205 11.067 1.884 1.00 0.00 C ATOM 73 O GLU A 5 5.438 11.980 1.107 1.00 0.00 O ATOM 74 CB GLU A 5 6.131 8.716 1.530 1.00 0.00 C ATOM 75 CG GLU A 5 7.334 7.749 1.691 1.00 0.00 C ATOM 76 CD GLU A 5 7.569 7.186 3.098 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.626 7.154 3.915 1.00 0.00 O ATOM 78 OE2 GLU A 5 8.698 6.781 3.416 1.00 0.00 O ATOM 0 H GLU A 5 6.504 8.828 3.826 1.00 0.00 H new ATOM 0 HA GLU A 5 7.218 10.569 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.236 8.237 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.955 8.888 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.194 6.912 1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.237 8.271 1.376 1.00 0.00 H new ATOM 85 N GLN A 6 4.012 10.929 2.460 1.00 0.00 N ATOM 86 CA GLN A 6 2.929 11.821 2.073 1.00 0.00 C ATOM 87 C GLN A 6 2.013 12.146 3.214 1.00 0.00 C ATOM 88 O GLN A 6 0.915 12.657 3.027 1.00 0.00 O ATOM 89 CB GLN A 6 2.174 11.323 0.834 1.00 0.00 C ATOM 90 CG GLN A 6 2.110 9.818 0.648 1.00 0.00 C ATOM 91 CD GLN A 6 1.240 9.457 -0.539 1.00 0.00 C ATOM 92 OE1 GLN A 6 1.138 10.204 -1.491 1.00 0.00 O ATOM 93 NE2 GLN A 6 0.597 8.332 -0.486 1.00 0.00 N ATOM 0 H GLN A 6 3.778 10.235 3.170 1.00 0.00 H new ATOM 0 HA GLN A 6 3.398 12.762 1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.155 11.707 0.877 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.641 11.758 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.115 9.423 0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.713 9.352 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.701 7.723 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.012 8.056 -1.256 1.00 0.00 H new ATOM 102 N GLN A 7 2.508 11.880 4.395 1.00 0.00 N ATOM 103 CA GLN A 7 1.868 12.209 5.656 1.00 0.00 C ATOM 104 C GLN A 7 0.507 11.534 5.880 1.00 0.00 C ATOM 105 O GLN A 7 -0.329 12.039 6.625 1.00 0.00 O ATOM 106 CB GLN A 7 1.809 13.726 5.865 1.00 0.00 C ATOM 107 CG GLN A 7 3.175 14.390 5.962 1.00 0.00 C ATOM 108 CD GLN A 7 3.827 14.233 7.327 1.00 0.00 C ATOM 109 OE1 GLN A 7 3.653 15.064 8.205 1.00 0.00 O ATOM 110 NE2 GLN A 7 4.562 13.176 7.524 1.00 0.00 N ATOM 0 H GLN A 7 3.405 11.409 4.516 1.00 0.00 H new ATOM 0 HA GLN A 7 2.506 11.782 6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.256 14.175 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.249 13.936 6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.832 13.966 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.072 15.451 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.691 12.497 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.009 13.027 8.429 1.00 0.00 H new ATOM 119 N LEU A 8 0.317 10.382 5.310 1.00 0.00 N ATOM 120 CA LEU A 8 -0.896 9.664 5.529 1.00 0.00 C ATOM 121 C LEU A 8 -0.685 8.563 6.507 1.00 0.00 C ATOM 122 O LEU A 8 0.436 8.213 6.877 1.00 0.00 O ATOM 123 CB LEU A 8 -1.479 9.000 4.271 1.00 0.00 C ATOM 124 CG LEU A 8 -2.094 9.840 3.175 1.00 0.00 C ATOM 125 CD1 LEU A 8 -2.933 10.972 3.695 1.00 0.00 C ATOM 126 CD2 LEU A 8 -1.106 10.219 2.120 1.00 0.00 C ATOM 0 H LEU A 8 0.986 9.923 4.692 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.592 10.423 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.680 8.414 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.242 8.296 4.603 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.813 9.203 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.344 11.535 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.748 10.573 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.316 11.631 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.601 10.821 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.297 10.795 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.699 9.318 1.662 1.00 0.00 H new ATOM 138 N GLU A 9 -1.774 8.010 6.865 1.00 0.00 N ATOM 139 CA GLU A 9 -1.855 6.816 7.627 1.00 0.00 C ATOM 140 C GLU A 9 -1.834 5.716 6.582 1.00 0.00 C ATOM 141 O GLU A 9 -2.118 5.978 5.412 1.00 0.00 O ATOM 142 CB GLU A 9 -3.192 6.808 8.313 1.00 0.00 C ATOM 143 CG GLU A 9 -3.448 5.726 9.336 1.00 0.00 C ATOM 144 CD GLU A 9 -4.878 5.811 9.800 1.00 0.00 C ATOM 145 OE1 GLU A 9 -5.763 5.279 9.105 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.153 6.512 10.791 1.00 0.00 O ATOM 0 H GLU A 9 -2.688 8.394 6.625 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.064 6.709 8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.323 7.772 8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.963 6.734 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.252 4.745 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.771 5.842 10.182 1.00 0.00 H new ATOM 153 N SER A 10 -1.471 4.569 6.948 1.00 0.00 N ATOM 154 CA SER A 10 -1.442 3.483 6.066 1.00 0.00 C ATOM 155 C SER A 10 -2.781 2.756 6.051 1.00 0.00 C ATOM 156 O SER A 10 -3.521 2.805 7.024 1.00 0.00 O ATOM 157 CB SER A 10 -0.395 2.607 6.585 1.00 0.00 C ATOM 158 OG SER A 10 -0.708 2.191 7.912 1.00 0.00 O ATOM 0 H SER A 10 -1.175 4.345 7.898 1.00 0.00 H new ATOM 0 HA SER A 10 -1.250 3.799 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.288 1.735 5.939 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.562 3.129 6.577 1.00 0.00 H new ATOM 0 HG SER A 10 0.001 1.603 8.246 1.00 0.00 H new ATOM 164 N CYS A 11 -3.070 2.066 4.984 1.00 0.00 N ATOM 165 CA CYS A 11 -4.304 1.324 4.894 1.00 0.00 C ATOM 166 C CYS A 11 -4.093 0.141 3.924 1.00 0.00 C ATOM 167 O CYS A 11 -2.948 -0.121 3.487 1.00 0.00 O ATOM 168 CB CYS A 11 -5.459 2.249 4.423 1.00 0.00 C ATOM 169 SG CYS A 11 -5.623 2.419 2.635 1.00 0.00 S ATOM 0 H CYS A 11 -2.470 1.999 4.162 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.584 0.936 5.874 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.397 1.865 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.310 3.239 4.854 1.00 0.00 H new ATOM 174 N ALA A 12 -5.145 -0.583 3.602 1.00 0.00 N ATOM 175 CA ALA A 12 -5.056 -1.695 2.694 1.00 0.00 C ATOM 176 C ALA A 12 -6.155 -1.589 1.659 1.00 0.00 C ATOM 177 O ALA A 12 -7.327 -1.489 2.009 1.00 0.00 O ATOM 178 CB ALA A 12 -5.167 -3.002 3.458 1.00 0.00 C ATOM 0 H ALA A 12 -6.083 -0.413 3.965 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.090 -1.675 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.098 -3.838 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.358 -3.068 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.125 -3.040 3.977 1.00 0.00 H new ATOM 184 N CYS A 13 -5.779 -1.564 0.404 1.00 0.00 N ATOM 185 CA CYS A 13 -6.732 -1.506 -0.674 1.00 0.00 C ATOM 186 C CYS A 13 -7.457 -2.830 -0.800 1.00 0.00 C ATOM 187 O CYS A 13 -6.832 -3.865 -0.895 1.00 0.00 O ATOM 188 CB CYS A 13 -6.026 -1.130 -1.976 1.00 0.00 C ATOM 189 SG CYS A 13 -5.233 0.524 -1.929 1.00 0.00 S ATOM 0 H CYS A 13 -4.805 -1.583 0.103 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.474 -0.737 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.268 -1.881 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.749 -1.154 -2.792 1.00 0.00 H new ATOM 194 N ASN A 14 -8.791 -2.764 -0.774 1.00 0.00 N ATOM 195 CA ASN A 14 -9.697 -3.943 -0.848 1.00 0.00 C ATOM 196 C ASN A 14 -9.470 -4.760 -2.125 1.00 0.00 C ATOM 197 O ASN A 14 -9.813 -5.927 -2.196 1.00 0.00 O ATOM 198 CB ASN A 14 -11.159 -3.458 -0.805 1.00 0.00 C ATOM 199 CG ASN A 14 -12.200 -4.585 -0.744 1.00 0.00 C ATOM 200 OD1 ASN A 14 -12.570 -5.037 0.322 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.701 -5.013 -1.885 1.00 0.00 N ATOM 0 H ASN A 14 -9.293 -1.879 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.481 -4.589 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.289 -2.812 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.353 -2.848 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.416 -5.740 -1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.373 -4.617 -2.766 1.00 0.00 H new ATOM 208 N GLU A 15 -8.931 -4.118 -3.131 1.00 0.00 N ATOM 209 CA GLU A 15 -8.631 -4.749 -4.363 1.00 0.00 C ATOM 210 C GLU A 15 -7.466 -5.746 -4.129 1.00 0.00 C ATOM 211 O GLU A 15 -6.523 -5.426 -3.403 1.00 0.00 O ATOM 212 CB GLU A 15 -8.312 -3.657 -5.415 1.00 0.00 C ATOM 213 CG GLU A 15 -8.211 -4.115 -6.871 1.00 0.00 C ATOM 214 CD GLU A 15 -6.985 -4.923 -7.121 1.00 0.00 C ATOM 215 OE1 GLU A 15 -5.902 -4.386 -6.927 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.095 -6.120 -7.407 1.00 0.00 O ATOM 0 H GLU A 15 -8.690 -3.127 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.473 -5.323 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.083 -2.889 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.369 -3.185 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.091 -4.704 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.210 -3.243 -7.525 1.00 0.00 H new ATOM 223 N THR A 16 -7.565 -6.920 -4.739 1.00 0.00 N ATOM 224 CA THR A 16 -6.626 -8.021 -4.579 1.00 0.00 C ATOM 225 C THR A 16 -5.168 -7.631 -4.758 1.00 0.00 C ATOM 226 O THR A 16 -4.339 -7.880 -3.867 1.00 0.00 O ATOM 227 CB THR A 16 -6.975 -9.167 -5.552 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.279 -9.674 -5.223 1.00 0.00 O ATOM 229 CG2 THR A 16 -5.936 -10.299 -5.483 1.00 0.00 C ATOM 0 H THR A 16 -8.327 -7.139 -5.380 1.00 0.00 H new ATOM 0 HA THR A 16 -6.732 -8.347 -3.544 1.00 0.00 H new ATOM 0 HB THR A 16 -6.969 -8.777 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.511 -10.402 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.212 -11.090 -6.181 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.954 -9.908 -5.748 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.905 -10.703 -4.471 1.00 0.00 H new ATOM 237 N ASP A 17 -4.862 -7.024 -5.852 1.00 0.00 N ATOM 238 CA ASP A 17 -3.494 -6.725 -6.169 1.00 0.00 C ATOM 239 C ASP A 17 -2.990 -5.558 -5.340 1.00 0.00 C ATOM 240 O ASP A 17 -1.843 -5.555 -4.835 1.00 0.00 O ATOM 241 CB ASP A 17 -3.356 -6.398 -7.633 1.00 0.00 C ATOM 242 CG ASP A 17 -1.954 -5.981 -8.002 1.00 0.00 C ATOM 243 OD1 ASP A 17 -1.043 -6.839 -8.046 1.00 0.00 O ATOM 244 OD2 ASP A 17 -1.712 -4.761 -8.184 1.00 0.00 O ATOM 0 H ASP A 17 -5.540 -6.720 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.895 -7.606 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.640 -7.268 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.049 -5.597 -7.890 1.00 0.00 H new ATOM 249 N ASN A 18 -3.859 -4.588 -5.134 1.00 0.00 N ATOM 250 CA ASN A 18 -3.500 -3.397 -4.421 1.00 0.00 C ATOM 251 C ASN A 18 -3.448 -3.614 -2.941 1.00 0.00 C ATOM 252 O ASN A 18 -3.039 -2.735 -2.185 1.00 0.00 O ATOM 253 CB ASN A 18 -4.350 -2.200 -4.825 1.00 0.00 C ATOM 254 CG ASN A 18 -3.928 -1.628 -6.171 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.131 -0.692 -6.235 1.00 0.00 O ATOM 256 ND2 ASN A 18 -4.401 -2.209 -7.240 1.00 0.00 N ATOM 0 H ASN A 18 -4.826 -4.611 -5.457 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.482 -3.148 -4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.397 -2.498 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.272 -1.426 -4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.111 -1.890 -8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.060 -2.982 -7.151 1.00 0.00 H new ATOM 263 N SER A 19 -3.810 -4.803 -2.516 1.00 0.00 N ATOM 264 CA SER A 19 -3.629 -5.174 -1.133 1.00 0.00 C ATOM 265 C SER A 19 -2.128 -5.282 -0.819 1.00 0.00 C ATOM 266 O SER A 19 -1.703 -5.099 0.317 1.00 0.00 O ATOM 267 CB SER A 19 -4.359 -6.490 -0.800 1.00 0.00 C ATOM 268 OG SER A 19 -5.743 -6.324 -0.817 1.00 0.00 O ATOM 0 H SER A 19 -4.228 -5.524 -3.104 1.00 0.00 H new ATOM 0 HA SER A 19 -4.068 -4.397 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.075 -7.257 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.046 -6.843 0.183 1.00 0.00 H new ATOM 0 HG SER A 19 -5.958 -5.393 -1.036 1.00 0.00 H new ATOM 274 N CYS A 20 -1.333 -5.485 -1.852 1.00 0.00 N ATOM 275 CA CYS A 20 0.104 -5.688 -1.713 1.00 0.00 C ATOM 276 C CYS A 20 0.869 -4.390 -1.740 1.00 0.00 C ATOM 277 O CYS A 20 2.044 -4.333 -1.402 1.00 0.00 O ATOM 278 CB CYS A 20 0.549 -6.621 -2.813 1.00 0.00 C ATOM 279 SG CYS A 20 -0.461 -8.118 -2.803 1.00 0.00 S ATOM 0 H CYS A 20 -1.663 -5.515 -2.817 1.00 0.00 H new ATOM 0 HA CYS A 20 0.316 -6.130 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.465 -6.123 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.599 -6.880 -2.678 1.00 0.00 H new ATOM 284 N LYS A 21 0.201 -3.348 -2.065 1.00 0.00 N ATOM 285 CA LYS A 21 0.812 -2.076 -2.155 1.00 0.00 C ATOM 286 C LYS A 21 0.538 -1.283 -0.973 1.00 0.00 C ATOM 287 O LYS A 21 -0.229 -1.670 -0.050 1.00 0.00 O ATOM 288 CB LYS A 21 0.429 -1.316 -3.440 1.00 0.00 C ATOM 289 CG LYS A 21 1.077 -1.809 -4.744 1.00 0.00 C ATOM 290 CD LYS A 21 0.513 -3.129 -5.267 1.00 0.00 C ATOM 291 CE LYS A 21 1.201 -3.517 -6.577 1.00 0.00 C ATOM 292 NZ LYS A 21 0.651 -4.747 -7.173 1.00 0.00 N ATOM 0 H LYS A 21 -0.796 -3.353 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 21 1.887 -2.250 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.654 -1.365 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.688 -0.266 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.950 -1.044 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.149 -1.924 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.659 -3.914 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.561 -3.036 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.101 -2.698 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.267 -3.653 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.268 -5.063 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.597 -5.490 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.301 -4.557 -7.545 1.00 0.00 H new ATOM 306 N VAL A 22 1.234 -0.242 -0.948 1.00 0.00 N ATOM 307 CA VAL A 22 1.164 0.681 0.059 1.00 0.00 C ATOM 308 C VAL A 22 0.046 1.584 -0.212 1.00 0.00 C ATOM 309 O VAL A 22 0.081 2.368 -1.116 1.00 0.00 O ATOM 310 CB VAL A 22 2.460 1.451 0.182 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.320 2.520 1.235 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.569 0.472 0.504 1.00 0.00 C ATOM 0 H VAL A 22 1.906 -0.003 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 22 1.002 0.171 1.008 1.00 0.00 H new ATOM 0 HB VAL A 22 2.705 1.954 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.256 3.072 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.519 3.204 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.083 2.058 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.513 1.009 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.346 -0.034 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.648 -0.265 -0.296 1.00 0.00 H new ATOM 322 N CYS A 23 -0.957 1.379 0.488 1.00 0.00 N ATOM 323 CA CYS A 23 -2.081 2.245 0.416 1.00 0.00 C ATOM 324 C CYS A 23 -2.075 3.137 1.622 1.00 0.00 C ATOM 325 O CYS A 23 -1.656 2.725 2.712 1.00 0.00 O ATOM 326 CB CYS A 23 -3.386 1.490 0.308 1.00 0.00 C ATOM 327 SG CYS A 23 -3.438 0.224 -1.013 1.00 0.00 S ATOM 0 H CYS A 23 -1.053 0.605 1.145 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.002 2.842 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.589 1.006 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.190 2.206 0.137 1.00 0.00 H new ATOM 332 N CYS A 24 -2.543 4.317 1.435 1.00 0.00 N ATOM 333 CA CYS A 24 -2.533 5.338 2.400 1.00 0.00 C ATOM 334 C CYS A 24 -3.962 5.708 2.650 1.00 0.00 C ATOM 335 O CYS A 24 -4.832 5.400 1.827 1.00 0.00 O ATOM 336 CB CYS A 24 -1.709 6.517 1.860 1.00 0.00 C ATOM 337 SG CYS A 24 0.046 6.104 1.560 1.00 0.00 S ATOM 0 H CYS A 24 -2.966 4.605 0.553 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.075 5.028 3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.156 6.866 0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.763 7.343 2.569 1.00 0.00 H new ATOM 342 N ARG A 25 -4.225 6.345 3.733 1.00 0.00 N ATOM 343 CA ARG A 25 -5.557 6.585 4.127 1.00 0.00 C ATOM 344 C ARG A 25 -5.737 8.059 4.176 1.00 0.00 C ATOM 345 O ARG A 25 -4.991 8.754 4.867 1.00 0.00 O ATOM 346 CB ARG A 25 -5.775 5.920 5.476 1.00 0.00 C ATOM 347 CG ARG A 25 -7.219 5.653 5.831 1.00 0.00 C ATOM 348 CD ARG A 25 -7.865 6.820 6.555 1.00 0.00 C ATOM 349 NE ARG A 25 -7.228 7.099 7.851 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.318 8.244 8.536 1.00 0.00 C ATOM 351 NH1 ARG A 25 -7.888 9.323 7.977 1.00 0.00 N ATOM 352 NH2 ARG A 25 -6.781 8.330 9.752 1.00 0.00 N ATOM 0 H ARG A 25 -3.518 6.714 4.369 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.291 6.171 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.232 4.975 5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.337 6.550 6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.780 5.439 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.277 4.763 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.809 7.709 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.922 6.606 6.712 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.668 6.353 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.254 9.271 7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.955 10.195 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.304 7.525 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.847 9.201 10.278 1.00 0.00 H new ATOM 366 N ASP A 26 -6.699 8.541 3.449 1.00 0.00 N ATOM 367 CA ASP A 26 -6.856 9.926 3.271 1.00 0.00 C ATOM 368 C ASP A 26 -7.750 10.495 4.351 1.00 0.00 C ATOM 369 O ASP A 26 -8.234 9.784 5.248 1.00 0.00 O ATOM 370 CB ASP A 26 -7.401 10.250 1.854 1.00 0.00 C ATOM 371 CG ASP A 26 -8.921 10.254 1.765 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.535 9.203 1.826 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.520 11.344 1.681 1.00 0.00 O ATOM 0 H ASP A 26 -7.393 7.970 2.966 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.877 10.399 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.026 11.226 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.007 9.519 1.148 1.00 0.00 H new ATOM 378 N LEU A 27 -7.964 11.740 4.231 1.00 0.00 N ATOM 379 CA LEU A 27 -8.677 12.562 5.158 1.00 0.00 C ATOM 380 C LEU A 27 -10.118 12.135 5.329 1.00 0.00 C ATOM 381 O LEU A 27 -10.634 12.130 6.437 1.00 0.00 O ATOM 382 CB LEU A 27 -8.626 14.040 4.750 1.00 0.00 C ATOM 383 CG LEU A 27 -7.267 14.586 4.290 1.00 0.00 C ATOM 384 CD1 LEU A 27 -7.096 14.447 2.773 1.00 0.00 C ATOM 385 CD2 LEU A 27 -7.071 16.022 4.740 1.00 0.00 C ATOM 0 H LEU A 27 -7.626 12.267 3.426 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.174 12.435 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.344 14.195 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.963 14.638 5.597 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.491 13.984 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.124 14.843 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.159 13.395 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.883 15.004 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.100 16.381 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.858 16.647 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.115 16.072 5.828 1.00 0.00 H new ATOM 397 N SER A 28 -10.738 11.730 4.251 1.00 0.00 N ATOM 398 CA SER A 28 -12.110 11.365 4.279 1.00 0.00 C ATOM 399 C SER A 28 -12.237 9.873 4.558 1.00 0.00 C ATOM 400 O SER A 28 -13.329 9.302 4.527 1.00 0.00 O ATOM 401 CB SER A 28 -12.802 11.796 2.981 1.00 0.00 C ATOM 402 OG SER A 28 -14.179 11.453 2.956 1.00 0.00 O ATOM 0 H SER A 28 -10.297 11.648 3.335 1.00 0.00 H new ATOM 0 HA SER A 28 -12.621 11.887 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.698 12.874 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.300 11.329 2.134 1.00 0.00 H new ATOM 0 HG SER A 28 -14.339 10.697 3.559 1.00 0.00 H new ATOM 408 N GLY A 29 -11.104 9.266 4.822 1.00 0.00 N ATOM 409 CA GLY A 29 -11.043 7.916 5.231 1.00 0.00 C ATOM 410 C GLY A 29 -11.206 6.872 4.140 1.00 0.00 C ATOM 411 O GLY A 29 -11.859 5.857 4.349 1.00 0.00 O ATOM 0 H GLY A 29 -10.193 9.720 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.084 7.751 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.817 7.751 5.980 1.00 0.00 H new ATOM 415 N ARG A 30 -10.632 7.101 2.990 1.00 0.00 N ATOM 416 CA ARG A 30 -10.634 6.099 1.947 1.00 0.00 C ATOM 417 C ARG A 30 -9.224 5.591 1.759 1.00 0.00 C ATOM 418 O ARG A 30 -8.266 6.152 2.319 1.00 0.00 O ATOM 419 CB ARG A 30 -11.148 6.620 0.577 1.00 0.00 C ATOM 420 CG ARG A 30 -12.619 7.037 0.487 1.00 0.00 C ATOM 421 CD ARG A 30 -12.908 8.337 1.214 1.00 0.00 C ATOM 422 NE ARG A 30 -12.004 9.415 0.779 1.00 0.00 N ATOM 423 CZ ARG A 30 -12.326 10.452 -0.006 1.00 0.00 C ATOM 424 NH1 ARG A 30 -13.520 10.503 -0.613 1.00 0.00 N ATOM 425 NH2 ARG A 30 -11.453 11.444 -0.165 1.00 0.00 N ATOM 0 H ARG A 30 -10.156 7.970 2.747 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.319 5.315 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.537 7.477 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.973 5.842 -0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.898 7.143 -0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.242 6.246 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.941 8.633 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.803 8.185 2.288 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.039 9.368 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.193 9.748 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.756 11.297 -1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.550 11.410 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.687 12.239 -0.760 1.00 0.00 H new ATOM 439 N CYS A 31 -9.099 4.549 0.988 1.00 0.00 N ATOM 440 CA CYS A 31 -7.822 4.008 0.648 1.00 0.00 C ATOM 441 C CYS A 31 -7.345 4.535 -0.658 1.00 0.00 C ATOM 442 O CYS A 31 -8.022 4.419 -1.680 1.00 0.00 O ATOM 443 CB CYS A 31 -7.821 2.489 0.646 1.00 0.00 C ATOM 444 SG CYS A 31 -7.521 1.790 2.277 1.00 0.00 S ATOM 0 H CYS A 31 -9.888 4.050 0.577 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.129 4.331 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.780 2.130 0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.056 2.132 -0.044 1.00 0.00 H new ATOM 449 N VAL A 32 -6.197 5.110 -0.616 1.00 0.00 N ATOM 450 CA VAL A 32 -5.571 5.648 -1.734 1.00 0.00 C ATOM 451 C VAL A 32 -4.170 5.056 -1.841 1.00 0.00 C ATOM 452 O VAL A 32 -3.367 5.212 -0.929 1.00 0.00 O ATOM 453 CB VAL A 32 -5.570 7.223 -1.740 1.00 0.00 C ATOM 454 CG1 VAL A 32 -5.069 7.814 -0.412 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.758 7.768 -2.911 1.00 0.00 C ATOM 0 H VAL A 32 -5.658 5.215 0.244 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.141 5.375 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.607 7.536 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.088 8.902 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.715 7.481 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.049 7.478 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.775 8.858 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.728 7.420 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.190 7.417 -3.848 1.00 0.00 H new ATOM 465 N PRO A 33 -3.888 4.301 -2.910 1.00 0.00 N ATOM 466 CA PRO A 33 -2.580 3.680 -3.105 1.00 0.00 C ATOM 467 C PRO A 33 -1.487 4.734 -3.197 1.00 0.00 C ATOM 468 O PRO A 33 -1.657 5.752 -3.878 1.00 0.00 O ATOM 469 CB PRO A 33 -2.718 2.925 -4.440 1.00 0.00 C ATOM 470 CG PRO A 33 -3.903 3.526 -5.114 1.00 0.00 C ATOM 471 CD PRO A 33 -4.811 4.008 -4.021 1.00 0.00 C ATOM 0 HA PRO A 33 -2.303 3.026 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.821 3.037 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.860 1.857 -4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.605 4.349 -5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.407 2.791 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.368 4.894 -4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.544 3.250 -3.745 1.00 0.00 H new ATOM 479 N TYR A 34 -0.408 4.529 -2.476 1.00 0.00 N ATOM 480 CA TYR A 34 0.679 5.447 -2.509 1.00 0.00 C ATOM 481 C TYR A 34 1.388 5.494 -3.820 1.00 0.00 C ATOM 482 O TYR A 34 1.849 4.480 -4.369 1.00 0.00 O ATOM 483 CB TYR A 34 1.654 5.287 -1.324 1.00 0.00 C ATOM 484 CG TYR A 34 3.110 5.686 -1.601 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.485 7.000 -1.986 1.00 0.00 C ATOM 486 CD2 TYR A 34 4.124 4.743 -1.498 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.760 7.308 -2.248 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.420 5.085 -1.763 1.00 0.00 C ATOM 489 CZ TYR A 34 5.739 6.363 -2.144 1.00 0.00 C ATOM 490 OH TYR A 34 7.046 6.696 -2.423 1.00 0.00 O ATOM 0 H TYR A 34 -0.271 3.727 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 34 0.211 6.424 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.285 5.885 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.637 4.246 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.727 7.765 -2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.886 3.731 -1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.017 8.314 -2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.199 4.343 -1.672 1.00 0.00 H new ATOM 0 HH TYR A 34 7.068 7.526 -2.943 1.00 0.00 H new ATOM 500 N VAL A 35 1.407 6.675 -4.314 1.00 0.00 N ATOM 501 CA VAL A 35 2.155 7.087 -5.393 1.00 0.00 C ATOM 502 C VAL A 35 2.397 8.479 -5.036 1.00 0.00 C ATOM 503 O VAL A 35 1.458 9.153 -4.598 1.00 0.00 O ATOM 504 CB VAL A 35 1.397 7.163 -6.725 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.270 6.769 -7.867 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.056 6.462 -6.713 1.00 0.00 C ATOM 0 H VAL A 35 0.842 7.429 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 35 2.994 6.408 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 35 1.136 8.211 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.704 6.833 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.128 7.440 -7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.617 5.746 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.416 6.562 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.200 5.406 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.583 6.913 -5.954 1.00 0.00 H new ATOM 516 N ASP A 36 3.574 8.918 -5.131 1.00 0.00 N ATOM 517 CA ASP A 36 3.801 10.283 -4.904 1.00 0.00 C ATOM 518 C ASP A 36 3.625 11.010 -6.134 1.00 0.00 C ATOM 519 O ASP A 36 3.155 10.458 -7.148 1.00 0.00 O ATOM 520 CB ASP A 36 5.081 10.551 -4.146 1.00 0.00 C ATOM 521 CG ASP A 36 6.308 10.027 -4.837 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.338 9.978 -6.097 1.00 0.00 O ATOM 523 OD2 ASP A 36 7.262 9.591 -4.142 1.00 0.00 O ATOM 0 H ASP A 36 4.397 8.362 -5.363 1.00 0.00 H new ATOM 0 HA ASP A 36 3.050 10.672 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.188 11.626 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.010 10.099 -3.157 1.00 0.00 H new ATOM 528 N ALA A 37 3.956 12.202 -6.088 1.00 0.00 N ATOM 529 CA ALA A 37 3.555 13.076 -7.066 1.00 0.00 C ATOM 530 C ALA A 37 4.319 12.871 -8.365 1.00 0.00 C ATOM 531 O ALA A 37 3.856 13.227 -9.455 1.00 0.00 O ATOM 532 CB ALA A 37 3.655 14.426 -6.507 1.00 0.00 C ATOM 0 H ALA A 37 4.529 12.614 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 37 2.519 12.896 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.344 15.154 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.009 14.506 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.687 14.624 -6.216 1.00 0.00 H new ATOM 538 N GLU A 38 5.465 12.264 -8.227 1.00 0.00 N ATOM 539 CA GLU A 38 6.294 11.918 -9.268 1.00 0.00 C ATOM 540 C GLU A 38 5.991 10.488 -9.736 1.00 0.00 C ATOM 541 O GLU A 38 6.753 9.925 -10.530 1.00 0.00 O ATOM 542 CB GLU A 38 7.706 11.973 -8.800 1.00 0.00 C ATOM 543 CG GLU A 38 8.120 13.243 -8.091 1.00 0.00 C ATOM 544 CD GLU A 38 8.005 13.087 -6.595 1.00 0.00 C ATOM 545 OE1 GLU A 38 9.002 12.640 -5.978 1.00 0.00 O ATOM 546 OE2 GLU A 38 6.921 13.327 -6.045 1.00 0.00 O ATOM 0 H GLU A 38 5.836 11.997 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 38 6.134 12.611 -10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.878 11.132 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.359 11.832 -9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.147 13.494 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.493 14.071 -8.423 1.00 0.00 H new ATOM 553 N GLN A 39 4.904 9.890 -9.187 1.00 0.00 N ATOM 554 CA GLN A 39 4.407 8.620 -9.552 1.00 0.00 C ATOM 555 C GLN A 39 5.296 7.460 -9.090 1.00 0.00 C ATOM 556 O GLN A 39 5.369 6.409 -9.731 1.00 0.00 O ATOM 557 CB GLN A 39 4.112 8.626 -11.005 1.00 0.00 C ATOM 558 CG GLN A 39 2.964 9.550 -11.352 1.00 0.00 C ATOM 559 CD GLN A 39 2.709 9.673 -12.838 1.00 0.00 C ATOM 560 OE1 GLN A 39 2.929 8.751 -13.607 1.00 0.00 O ATOM 561 NE2 GLN A 39 2.255 10.828 -13.256 1.00 0.00 N ATOM 0 H GLN A 39 4.355 10.332 -8.450 1.00 0.00 H new ATOM 0 HA GLN A 39 3.475 8.433 -9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.002 8.934 -11.553 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.872 7.613 -11.329 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.058 9.188 -10.866 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.170 10.540 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.081 11.579 -12.589 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.075 10.976 -14.249 1.00 0.00 H new ATOM 570 N LYS A 40 5.918 7.641 -7.931 1.00 0.00 N ATOM 571 CA LYS A 40 6.644 6.558 -7.271 1.00 0.00 C ATOM 572 C LYS A 40 5.649 5.569 -6.756 1.00 0.00 C ATOM 573 O LYS A 40 4.645 5.953 -6.221 1.00 0.00 O ATOM 574 CB LYS A 40 7.271 7.044 -6.031 1.00 0.00 C ATOM 575 CG LYS A 40 8.763 7.101 -5.934 1.00 0.00 C ATOM 576 CD LYS A 40 9.477 7.880 -7.046 1.00 0.00 C ATOM 577 CE LYS A 40 9.086 9.352 -7.097 1.00 0.00 C ATOM 578 NZ LYS A 40 9.245 10.054 -5.794 1.00 0.00 N ATOM 0 H LYS A 40 5.935 8.528 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 40 7.362 6.159 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.893 8.049 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.914 6.414 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.029 7.548 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.147 6.081 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.554 7.802 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.251 7.418 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.694 9.855 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.048 9.433 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.995 11.057 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.619 9.619 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.232 9.977 -5.477 1.00 0.00 H new ATOM 592 N ASN A 41 5.953 4.350 -6.826 1.00 0.00 N ATOM 593 CA ASN A 41 5.097 3.358 -6.309 1.00 0.00 C ATOM 594 C ASN A 41 5.900 2.591 -5.296 1.00 0.00 C ATOM 595 O ASN A 41 7.125 2.764 -5.228 1.00 0.00 O ATOM 596 CB ASN A 41 4.654 2.461 -7.416 1.00 0.00 C ATOM 597 CG ASN A 41 3.447 1.593 -7.055 1.00 0.00 C ATOM 598 OD1 ASN A 41 3.586 0.461 -6.597 1.00 0.00 O ATOM 599 ND2 ASN A 41 2.265 2.134 -7.214 1.00 0.00 N ATOM 0 H ASN A 41 6.812 3.995 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 41 4.206 3.787 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.407 3.068 -8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.483 1.814 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.427 1.614 -6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.183 3.076 -7.597 1.00 0.00 H new ATOM 606 N LEU A 42 5.264 1.721 -4.579 1.00 0.00 N ATOM 607 CA LEU A 42 5.882 1.047 -3.477 1.00 0.00 C ATOM 608 C LEU A 42 5.043 -0.158 -3.000 1.00 0.00 C ATOM 609 O LEU A 42 3.803 -0.094 -2.886 1.00 0.00 O ATOM 610 CB LEU A 42 6.137 2.072 -2.355 1.00 0.00 C ATOM 611 CG LEU A 42 6.444 1.548 -0.988 1.00 0.00 C ATOM 612 CD1 LEU A 42 7.718 0.727 -0.933 1.00 0.00 C ATOM 613 CD2 LEU A 42 6.435 2.615 0.081 1.00 0.00 C ATOM 0 H LEU A 42 4.293 1.454 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 42 6.837 0.628 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.967 2.707 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.257 2.711 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 42 5.619 0.872 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.882 0.378 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.628 -0.130 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.561 1.343 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.665 2.165 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.183 3.372 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.450 3.080 0.123 1.00 0.00 H new ATOM 625 N PHE A 43 5.742 -1.243 -2.763 1.00 0.00 N ATOM 626 CA PHE A 43 5.228 -2.479 -2.313 1.00 0.00 C ATOM 627 C PHE A 43 5.427 -2.615 -0.786 1.00 0.00 C ATOM 628 O PHE A 43 6.436 -2.166 -0.248 1.00 0.00 O ATOM 629 CB PHE A 43 5.942 -3.600 -3.116 1.00 0.00 C ATOM 630 CG PHE A 43 5.830 -5.011 -2.585 1.00 0.00 C ATOM 631 CD1 PHE A 43 4.603 -5.615 -2.390 1.00 0.00 C ATOM 632 CD2 PHE A 43 6.980 -5.733 -2.287 1.00 0.00 C ATOM 633 CE1 PHE A 43 4.519 -6.906 -1.903 1.00 0.00 C ATOM 634 CE2 PHE A 43 6.901 -7.023 -1.803 1.00 0.00 C ATOM 635 CZ PHE A 43 5.671 -7.606 -1.609 1.00 0.00 C ATOM 0 H PHE A 43 6.753 -1.268 -2.894 1.00 0.00 H new ATOM 0 HA PHE A 43 4.154 -2.553 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.549 -3.590 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.000 -3.347 -3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.698 -5.072 -2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.948 -5.278 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.553 -7.366 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.803 -7.573 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.606 -8.614 -1.226 1.00 0.00 H new ATOM 645 N LEU A 44 4.432 -3.178 -0.105 1.00 0.00 N ATOM 646 CA LEU A 44 4.483 -3.431 1.290 1.00 0.00 C ATOM 647 C LEU A 44 5.410 -4.650 1.523 1.00 0.00 C ATOM 648 O LEU A 44 5.988 -5.179 0.600 1.00 0.00 O ATOM 649 CB LEU A 44 3.039 -3.727 1.808 1.00 0.00 C ATOM 650 CG LEU A 44 2.570 -3.128 3.190 1.00 0.00 C ATOM 651 CD1 LEU A 44 3.367 -3.624 4.381 1.00 0.00 C ATOM 652 CD2 LEU A 44 2.564 -1.617 3.165 1.00 0.00 C ATOM 0 H LEU A 44 3.557 -3.470 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 44 4.874 -2.569 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.341 -3.377 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.929 -4.810 1.868 1.00 0.00 H new ATOM 0 HG LEU A 44 1.551 -3.493 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.983 -3.166 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.276 -4.708 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.416 -3.355 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.236 -1.238 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.570 -1.253 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.882 -1.269 2.389 1.00 0.00 H new ATOM 664 N ARG A 45 5.544 -5.070 2.733 1.00 0.00 N ATOM 665 CA ARG A 45 6.301 -6.237 3.050 1.00 0.00 C ATOM 666 C ARG A 45 5.558 -7.488 2.587 1.00 0.00 C ATOM 667 O ARG A 45 4.334 -7.455 2.389 1.00 0.00 O ATOM 668 CB ARG A 45 6.529 -6.295 4.528 1.00 0.00 C ATOM 669 CG ARG A 45 7.516 -5.275 5.063 1.00 0.00 C ATOM 670 CD ARG A 45 7.690 -5.423 6.566 1.00 0.00 C ATOM 671 NE ARG A 45 8.668 -4.462 7.115 1.00 0.00 N ATOM 672 CZ ARG A 45 9.022 -4.373 8.417 1.00 0.00 C ATOM 673 NH1 ARG A 45 8.465 -5.187 9.325 1.00 0.00 N ATOM 674 NH2 ARG A 45 9.933 -3.469 8.802 1.00 0.00 N ATOM 0 H ARG A 45 5.127 -4.609 3.542 1.00 0.00 H new ATOM 0 HA ARG A 45 7.262 -6.192 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.574 -6.155 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.883 -7.293 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.479 -5.400 4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.167 -4.269 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.728 -5.279 7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.015 -6.438 6.794 1.00 0.00 H new ATOM 0 HE ARG A 45 9.110 -3.816 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.772 -5.876 9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.735 -5.117 10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.359 -2.849 8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.201 -3.401 9.784 1.00 0.00 H new ATOM 688 N LYS A 46 6.268 -8.583 2.459 1.00 0.00 N ATOM 689 CA LYS A 46 5.653 -9.781 1.952 1.00 0.00 C ATOM 690 C LYS A 46 5.110 -10.635 3.086 1.00 0.00 C ATOM 691 O LYS A 46 5.647 -10.620 4.192 1.00 0.00 O ATOM 692 CB LYS A 46 6.578 -10.553 0.953 1.00 0.00 C ATOM 693 CG LYS A 46 7.819 -11.299 1.481 1.00 0.00 C ATOM 694 CD LYS A 46 7.458 -12.630 2.145 1.00 0.00 C ATOM 695 CE LYS A 46 8.517 -13.703 1.895 1.00 0.00 C ATOM 696 NZ LYS A 46 8.578 -14.104 0.454 1.00 0.00 N ATOM 0 H LYS A 46 7.257 -8.668 2.695 1.00 0.00 H new ATOM 0 HA LYS A 46 4.791 -9.491 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.957 -11.282 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.922 -9.836 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.508 -11.482 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.342 -10.667 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.341 -12.479 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.496 -12.975 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.492 -13.331 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.298 -14.578 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.432 -14.674 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.735 -14.664 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.609 -13.252 -0.142 1.00 0.00 H new ATOM 710 N GLY A 47 4.052 -11.357 2.795 1.00 0.00 N ATOM 711 CA GLY A 47 3.357 -12.147 3.786 1.00 0.00 C ATOM 712 C GLY A 47 2.324 -11.306 4.479 1.00 0.00 C ATOM 713 O GLY A 47 1.836 -11.644 5.552 1.00 0.00 O ATOM 0 H GLY A 47 3.647 -11.413 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.881 -13.005 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.067 -12.539 4.514 1.00 0.00 H new ATOM 717 N LYS A 48 2.000 -10.191 3.849 1.00 0.00 N ATOM 718 CA LYS A 48 1.010 -9.292 4.336 1.00 0.00 C ATOM 719 C LYS A 48 -0.361 -9.911 4.109 1.00 0.00 C ATOM 720 O LYS A 48 -0.605 -10.452 3.014 1.00 0.00 O ATOM 721 CB LYS A 48 1.106 -7.994 3.537 1.00 0.00 C ATOM 722 CG LYS A 48 0.102 -6.917 3.944 1.00 0.00 C ATOM 723 CD LYS A 48 0.105 -5.759 2.963 1.00 0.00 C ATOM 724 CE LYS A 48 -0.871 -4.659 3.383 1.00 0.00 C ATOM 725 NZ LYS A 48 -0.957 -3.570 2.364 1.00 0.00 N ATOM 0 H LYS A 48 2.432 -9.895 2.974 1.00 0.00 H new ATOM 0 HA LYS A 48 1.159 -9.095 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.113 -7.591 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.965 -8.222 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.897 -7.350 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.343 -6.551 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.111 -5.345 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.161 -6.122 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.860 -5.091 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.555 -4.238 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.876 -3.090 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.193 -2.883 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.862 -3.977 1.412 1.00 0.00 H new ATOM 739 N PRO A 49 -1.253 -9.884 5.131 1.00 0.00 N ATOM 740 CA PRO A 49 -2.628 -10.352 4.984 1.00 0.00 C ATOM 741 C PRO A 49 -3.297 -9.633 3.824 1.00 0.00 C ATOM 742 O PRO A 49 -3.281 -8.389 3.742 1.00 0.00 O ATOM 743 CB PRO A 49 -3.303 -9.982 6.319 1.00 0.00 C ATOM 744 CG PRO A 49 -2.343 -9.076 7.018 1.00 0.00 C ATOM 745 CD PRO A 49 -0.981 -9.422 6.500 1.00 0.00 C ATOM 0 HA PRO A 49 -2.694 -11.419 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.259 -9.485 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.507 -10.872 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.580 -8.031 6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.394 -9.214 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.315 -8.559 6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.506 -10.198 7.101 1.00 0.00 H new ATOM 753 N CYS A 50 -3.832 -10.391 2.934 1.00 0.00 N ATOM 754 CA CYS A 50 -4.371 -9.888 1.738 1.00 0.00 C ATOM 755 C CYS A 50 -5.690 -10.571 1.424 1.00 0.00 C ATOM 756 O CYS A 50 -6.088 -11.511 2.106 1.00 0.00 O ATOM 757 CB CYS A 50 -3.317 -10.062 0.628 1.00 0.00 C ATOM 758 SG CYS A 50 -3.847 -9.810 -1.092 1.00 0.00 S ATOM 0 H CYS A 50 -3.905 -11.404 3.028 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.600 -8.826 1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.500 -9.370 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.909 -11.070 0.708 1.00 0.00 H new ATOM 763 N THR A 51 -6.333 -10.070 0.409 1.00 0.00 N ATOM 764 CA THR A 51 -7.629 -10.487 -0.078 1.00 0.00 C ATOM 765 C THR A 51 -7.765 -12.002 -0.242 1.00 0.00 C ATOM 766 O THR A 51 -8.549 -12.655 0.435 1.00 0.00 O ATOM 767 CB THR A 51 -7.860 -9.819 -1.457 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.741 -10.118 -2.326 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.921 -8.339 -1.308 1.00 0.00 C ATOM 0 H THR A 51 -5.944 -9.306 -0.143 1.00 0.00 H new ATOM 0 HA THR A 51 -8.368 -10.183 0.663 1.00 0.00 H new ATOM 0 HB THR A 51 -8.795 -10.197 -1.871 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.906 -9.851 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.084 -7.881 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.742 -8.074 -0.642 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.982 -7.976 -0.889 1.00 0.00 H new ATOM 777 N VAL A 52 -6.992 -12.522 -1.142 1.00 0.00 N ATOM 778 CA VAL A 52 -7.061 -13.905 -1.524 1.00 0.00 C ATOM 779 C VAL A 52 -5.979 -14.751 -0.856 1.00 0.00 C ATOM 780 O VAL A 52 -5.792 -15.908 -1.207 1.00 0.00 O ATOM 781 CB VAL A 52 -6.990 -14.040 -3.073 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.142 -13.262 -3.710 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.652 -13.543 -3.630 1.00 0.00 C ATOM 0 H VAL A 52 -6.280 -11.991 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.019 -14.290 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.075 -15.098 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.090 -13.358 -4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.092 -13.663 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.067 -12.210 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.645 -13.655 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.519 -12.492 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.839 -14.128 -3.199 1.00 0.00 H new ATOM 793 N GLY A 53 -5.320 -14.185 0.130 1.00 0.00 N ATOM 794 CA GLY A 53 -4.277 -14.880 0.808 1.00 0.00 C ATOM 795 C GLY A 53 -3.259 -13.932 1.370 1.00 0.00 C ATOM 796 O GLY A 53 -3.570 -13.122 2.259 1.00 0.00 O ATOM 0 H GLY A 53 -5.497 -13.241 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.701 -15.479 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.791 -15.571 0.119 1.00 0.00 H new ATOM 800 N PHE A 54 -2.069 -13.998 0.865 1.00 0.00 N ATOM 801 CA PHE A 54 -0.995 -13.146 1.305 1.00 0.00 C ATOM 802 C PHE A 54 -0.333 -12.514 0.114 1.00 0.00 C ATOM 803 O PHE A 54 -0.483 -12.965 -0.998 1.00 0.00 O ATOM 804 CB PHE A 54 0.050 -13.930 2.132 1.00 0.00 C ATOM 805 CG PHE A 54 -0.485 -14.491 3.422 1.00 0.00 C ATOM 806 CD1 PHE A 54 -0.597 -13.688 4.544 1.00 0.00 C ATOM 807 CD2 PHE A 54 -0.881 -15.816 3.509 1.00 0.00 C ATOM 808 CE1 PHE A 54 -1.091 -14.192 5.729 1.00 0.00 C ATOM 809 CE2 PHE A 54 -1.378 -16.327 4.692 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.482 -15.515 5.805 1.00 0.00 C ATOM 0 H PHE A 54 -1.806 -14.650 0.126 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.417 -12.373 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.438 -14.748 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.890 -13.272 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.293 -12.653 4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.800 -16.456 2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.172 -13.553 6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.685 -17.361 4.747 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.868 -15.913 6.732 1.00 0.00 H new ATOM 820 N CYS A 55 0.352 -11.453 0.340 1.00 0.00 N ATOM 821 CA CYS A 55 1.088 -10.801 -0.715 1.00 0.00 C ATOM 822 C CYS A 55 2.507 -11.235 -0.688 1.00 0.00 C ATOM 823 O CYS A 55 3.168 -11.054 0.326 1.00 0.00 O ATOM 824 CB CYS A 55 1.041 -9.304 -0.532 1.00 0.00 C ATOM 825 SG CYS A 55 -0.577 -8.581 -0.835 1.00 0.00 S ATOM 0 H CYS A 55 0.427 -11.003 1.252 1.00 0.00 H new ATOM 0 HA CYS A 55 0.634 -11.072 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.351 -9.063 0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.765 -8.843 -1.204 1.00 0.00 H new ATOM 830 N ASP A 56 3.019 -11.805 -1.757 1.00 0.00 N ATOM 831 CA ASP A 56 4.429 -12.143 -1.702 1.00 0.00 C ATOM 832 C ASP A 56 5.212 -11.128 -2.534 1.00 0.00 C ATOM 833 O ASP A 56 4.632 -10.139 -2.980 1.00 0.00 O ATOM 834 CB ASP A 56 4.751 -13.606 -2.077 1.00 0.00 C ATOM 835 CG ASP A 56 6.093 -14.049 -1.452 1.00 0.00 C ATOM 836 OD1 ASP A 56 7.163 -13.798 -2.042 1.00 0.00 O ATOM 837 OD2 ASP A 56 6.109 -14.559 -0.321 1.00 0.00 O ATOM 0 H ASP A 56 2.525 -12.033 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 56 4.746 -12.080 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.950 -14.260 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.799 -13.706 -3.161 1.00 0.00 H new ATOM 842 N MET A 57 6.490 -11.387 -2.791 1.00 0.00 N ATOM 843 CA MET A 57 7.435 -10.452 -3.447 1.00 0.00 C ATOM 844 C MET A 57 7.084 -10.149 -4.901 1.00 0.00 C ATOM 845 O MET A 57 7.770 -9.400 -5.575 1.00 0.00 O ATOM 846 CB MET A 57 8.864 -10.985 -3.322 1.00 0.00 C ATOM 847 CG MET A 57 9.324 -11.078 -1.878 1.00 0.00 C ATOM 848 SD MET A 57 10.915 -11.906 -1.651 1.00 0.00 S ATOM 849 CE MET A 57 12.003 -10.850 -2.618 1.00 0.00 C ATOM 0 H MET A 57 6.923 -12.277 -2.546 1.00 0.00 H new ATOM 0 HA MET A 57 7.354 -9.499 -2.924 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.923 -11.971 -3.783 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.541 -10.334 -3.875 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.390 -10.071 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.566 -11.609 -1.302 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.040 -11.128 -2.431 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.780 -10.972 -3.678 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.849 -9.810 -2.332 1.00 0.00 H new ATOM 859 N ASN A 58 6.012 -10.738 -5.357 1.00 0.00 N ATOM 860 CA ASN A 58 5.455 -10.466 -6.664 1.00 0.00 C ATOM 861 C ASN A 58 4.723 -9.114 -6.575 1.00 0.00 C ATOM 862 O ASN A 58 4.522 -8.431 -7.575 1.00 0.00 O ATOM 863 CB ASN A 58 4.426 -11.583 -6.999 1.00 0.00 C ATOM 864 CG ASN A 58 3.864 -11.619 -8.448 1.00 0.00 C ATOM 865 OD1 ASN A 58 3.457 -12.682 -8.922 1.00 0.00 O ATOM 866 ND2 ASN A 58 3.811 -10.507 -9.143 1.00 0.00 N ATOM 0 H ASN A 58 5.488 -11.433 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 58 6.229 -10.437 -7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.894 -12.546 -6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.585 -11.485 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.429 -10.514 -10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.152 -9.635 -8.737 1.00 0.00 H new ATOM 873 N GLY A 59 4.338 -8.738 -5.346 1.00 0.00 N ATOM 874 CA GLY A 59 3.510 -7.563 -5.140 1.00 0.00 C ATOM 875 C GLY A 59 2.138 -7.880 -5.568 1.00 0.00 C ATOM 876 O GLY A 59 1.388 -7.021 -5.983 1.00 0.00 O ATOM 0 H GLY A 59 4.590 -9.234 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.522 -7.270 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.900 -6.720 -5.710 1.00 0.00 H new ATOM 880 N LYS A 60 1.822 -9.123 -5.409 1.00 0.00 N ATOM 881 CA LYS A 60 0.584 -9.691 -5.794 1.00 0.00 C ATOM 882 C LYS A 60 0.223 -10.574 -4.693 1.00 0.00 C ATOM 883 O LYS A 60 1.084 -10.953 -3.881 1.00 0.00 O ATOM 884 CB LYS A 60 0.770 -10.556 -7.022 1.00 0.00 C ATOM 885 CG LYS A 60 -0.516 -10.884 -7.787 1.00 0.00 C ATOM 886 CD LYS A 60 -0.296 -11.853 -8.964 1.00 0.00 C ATOM 887 CE LYS A 60 -0.179 -13.338 -8.542 1.00 0.00 C ATOM 888 NZ LYS A 60 1.038 -13.673 -7.762 1.00 0.00 N ATOM 0 H LYS A 60 2.457 -9.799 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.158 -8.922 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.460 -10.053 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.243 -11.490 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.239 -11.319 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.952 -9.959 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.123 -11.749 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.611 -11.564 -9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.056 -13.602 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.200 -13.958 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.109 -14.705 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.879 -13.318 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.981 -13.231 -6.822 1.00 0.00 H new ATOM 902 N CYS A 61 -0.983 -10.889 -4.660 1.00 0.00 N ATOM 903 CA CYS A 61 -1.503 -11.729 -3.702 1.00 0.00 C ATOM 904 C CYS A 61 -1.344 -13.098 -4.297 1.00 0.00 C ATOM 905 O CYS A 61 -1.723 -13.304 -5.476 1.00 0.00 O ATOM 906 CB CYS A 61 -2.922 -11.336 -3.530 1.00 0.00 C ATOM 907 SG CYS A 61 -3.629 -11.653 -1.884 1.00 0.00 S ATOM 0 H CYS A 61 -1.671 -10.552 -5.333 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.028 -11.692 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.015 -10.272 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.520 -11.866 -4.271 1.00 0.00 H new ATOM 912 N GLU A 62 -0.785 -13.982 -3.512 1.00 0.00 N ATOM 913 CA GLU A 62 -0.297 -15.259 -3.911 1.00 0.00 C ATOM 914 C GLU A 62 0.539 -15.095 -5.211 1.00 0.00 C ATOM 915 O GLU A 62 1.510 -14.271 -5.213 1.00 0.00 O ATOM 916 CB GLU A 62 -1.471 -16.187 -4.073 1.00 0.00 C ATOM 917 CG GLU A 62 -2.326 -16.414 -2.809 1.00 0.00 C ATOM 918 CD GLU A 62 -1.544 -16.863 -1.582 1.00 0.00 C ATOM 919 OE1 GLU A 62 -1.230 -18.068 -1.467 1.00 0.00 O ATOM 920 OE2 GLU A 62 -1.275 -15.999 -0.703 1.00 0.00 O ATOM 921 OXT GLU A 62 0.222 -15.700 -6.264 1.00 0.00 O ATOM 0 H GLU A 62 -0.654 -13.809 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 62 0.363 -15.695 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.116 -15.793 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.102 -17.153 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.849 -15.488 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.087 -17.162 -3.031 1.00 0.00 H new TER 928 GLU A 62