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 19 SER OG : rot -34:sc= 1.65 USER MOD Set 1.2: A 51 THR OG1 : rot -85:sc= 0.414 USER MOD Single : A 1 PHE N :NH3+ 146:sc= -1.08! (180deg=-1.63!) USER MOD Single : A 6 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.56) USER MOD Single : A 7 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.5) USER MOD Single : A 10 SER OG : rot -30:sc= 0.868 USER MOD Single : A 14 ASN : amide:sc= 0.297 X(o=0.3,f=-0.13) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.12 K(o=1.1,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= 1.15 (180deg=-0.109!) USER MOD Single : A 28 SER OG : rot -30:sc= 0.301 USER MOD Single : A 34 TYR OH : rot -12:sc= 0.557 USER MOD Single : A 39 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.24) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0.139 (180deg=-0.149) USER MOD Single : A 41 ASN : amide:sc=-0.00999 X(o=-0.01,f=-0.01) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 0.901 (180deg=-0.166!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 0.562 (180deg=0.0394) USER MOD Single : A 57 MET CE :methyl 169:sc= -0.0289 (180deg=-0.194) USER MOD Single : A 58 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.023) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0.103 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 3.632 0.152 5.690 1.00 0.00 N ATOM 2 CA PHE A 1 3.662 0.326 4.237 1.00 0.00 C ATOM 3 C PHE A 1 3.478 1.776 3.813 1.00 0.00 C ATOM 4 O PHE A 1 4.070 2.219 2.836 1.00 0.00 O ATOM 5 CB PHE A 1 2.682 -0.601 3.511 1.00 0.00 C ATOM 6 CG PHE A 1 1.252 -0.597 3.994 1.00 0.00 C ATOM 7 CD1 PHE A 1 0.847 -1.452 5.010 1.00 0.00 C ATOM 8 CD2 PHE A 1 0.312 0.238 3.415 1.00 0.00 C ATOM 9 CE1 PHE A 1 -0.464 -1.468 5.440 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.000 0.222 3.839 1.00 0.00 C ATOM 11 CZ PHE A 1 -1.389 -0.630 4.853 1.00 0.00 C ATOM 0 H1 PHE A 1 3.196 -0.763 5.921 1.00 0.00 H new ATOM 0 H2 PHE A 1 4.603 0.177 6.063 1.00 0.00 H new ATOM 0 H3 PHE A 1 3.076 0.919 6.120 1.00 0.00 H new ATOM 0 HA PHE A 1 4.665 0.032 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 1 2.684 -0.335 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 1 3.062 -1.620 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.567 -2.113 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 1 0.609 0.909 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.765 -2.135 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -1.724 0.877 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.416 -0.640 5.186 1.00 0.00 H new ATOM 21 N CYS A 2 2.666 2.490 4.520 1.00 0.00 N ATOM 22 CA CYS A 2 2.454 3.884 4.243 1.00 0.00 C ATOM 23 C CYS A 2 2.420 4.728 5.537 1.00 0.00 C ATOM 24 O CYS A 2 2.830 5.899 5.546 1.00 0.00 O ATOM 25 CB CYS A 2 1.170 4.065 3.455 1.00 0.00 C ATOM 26 SG CYS A 2 0.878 5.759 2.920 1.00 0.00 S ATOM 0 H CYS A 2 2.128 2.129 5.308 1.00 0.00 H new ATOM 0 HA CYS A 2 3.295 4.239 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.198 3.417 2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.330 3.737 4.067 1.00 0.00 H new ATOM 31 N GLU A 3 1.980 4.100 6.604 1.00 0.00 N ATOM 32 CA GLU A 3 1.781 4.668 7.917 1.00 0.00 C ATOM 33 C GLU A 3 2.948 5.488 8.447 1.00 0.00 C ATOM 34 O GLU A 3 2.771 6.603 8.921 1.00 0.00 O ATOM 35 CB GLU A 3 1.389 3.579 8.944 1.00 0.00 C ATOM 36 CG GLU A 3 2.227 2.268 8.978 1.00 0.00 C ATOM 37 CD GLU A 3 1.947 1.232 7.871 1.00 0.00 C ATOM 38 OE1 GLU A 3 1.559 1.586 6.735 1.00 0.00 O ATOM 39 OE2 GLU A 3 2.190 0.056 8.089 1.00 0.00 O ATOM 0 H GLU A 3 1.735 3.110 6.574 1.00 0.00 H new ATOM 0 HA GLU A 3 0.959 5.372 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.430 4.027 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.350 3.306 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.282 2.538 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.064 1.786 9.942 1.00 0.00 H new ATOM 46 N ARG A 4 4.095 4.926 8.456 1.00 0.00 N ATOM 47 CA ARG A 4 5.237 5.636 8.901 1.00 0.00 C ATOM 48 C ARG A 4 6.079 6.131 7.725 1.00 0.00 C ATOM 49 O ARG A 4 6.767 7.146 7.817 1.00 0.00 O ATOM 50 CB ARG A 4 6.051 4.815 9.902 1.00 0.00 C ATOM 51 CG ARG A 4 7.150 5.604 10.620 1.00 0.00 C ATOM 52 CD ARG A 4 6.583 6.883 11.260 1.00 0.00 C ATOM 53 NE ARG A 4 5.405 6.607 12.113 1.00 0.00 N ATOM 54 CZ ARG A 4 4.338 7.435 12.259 1.00 0.00 C ATOM 55 NH1 ARG A 4 4.349 8.660 11.722 1.00 0.00 N ATOM 56 NH2 ARG A 4 3.274 7.033 12.965 1.00 0.00 N ATOM 0 H ARG A 4 4.272 3.967 8.158 1.00 0.00 H new ATOM 0 HA ARG A 4 4.893 6.523 9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.374 4.398 10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.507 3.974 9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.607 4.981 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.937 5.865 9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.358 7.362 11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.305 7.587 10.476 1.00 0.00 H new ATOM 0 HE ARG A 4 5.394 5.728 12.631 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.163 8.980 11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.543 9.275 11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.266 6.107 13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.472 7.653 13.076 1.00 0.00 H new ATOM 70 N GLU A 5 6.013 5.392 6.655 1.00 0.00 N ATOM 71 CA GLU A 5 6.711 5.640 5.432 1.00 0.00 C ATOM 72 C GLU A 5 6.322 6.980 4.772 1.00 0.00 C ATOM 73 O GLU A 5 7.187 7.710 4.306 1.00 0.00 O ATOM 74 CB GLU A 5 6.486 4.454 4.480 1.00 0.00 C ATOM 75 CG GLU A 5 6.915 3.092 5.070 1.00 0.00 C ATOM 76 CD GLU A 5 5.897 2.389 5.970 1.00 0.00 C ATOM 77 OE1 GLU A 5 5.000 3.033 6.547 1.00 0.00 O ATOM 78 OE2 GLU A 5 5.971 1.166 6.083 1.00 0.00 O ATOM 0 H GLU A 5 5.436 4.552 6.613 1.00 0.00 H new ATOM 0 HA GLU A 5 7.773 5.732 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.430 4.408 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.039 4.630 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.160 2.424 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.831 3.241 5.642 1.00 0.00 H new ATOM 85 N GLN A 6 5.037 7.279 4.704 1.00 0.00 N ATOM 86 CA GLN A 6 4.568 8.560 4.154 1.00 0.00 C ATOM 87 C GLN A 6 3.929 9.352 5.240 1.00 0.00 C ATOM 88 O GLN A 6 3.745 10.557 5.133 1.00 0.00 O ATOM 89 CB GLN A 6 3.525 8.338 3.078 1.00 0.00 C ATOM 90 CG GLN A 6 4.020 7.631 1.859 1.00 0.00 C ATOM 91 CD GLN A 6 5.095 8.428 1.136 1.00 0.00 C ATOM 92 OE1 GLN A 6 4.800 9.227 0.274 1.00 0.00 O ATOM 93 NE2 GLN A 6 6.339 8.233 1.497 1.00 0.00 N ATOM 0 H GLN A 6 4.291 6.659 5.020 1.00 0.00 H new ATOM 0 HA GLN A 6 5.427 9.082 3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.701 7.765 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.120 9.305 2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.419 6.657 2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.186 7.449 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.558 7.554 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.089 8.760 1.049 1.00 0.00 H new ATOM 102 N GLN A 7 3.577 8.630 6.282 1.00 0.00 N ATOM 103 CA GLN A 7 2.889 9.107 7.431 1.00 0.00 C ATOM 104 C GLN A 7 1.430 9.401 7.125 1.00 0.00 C ATOM 105 O GLN A 7 0.716 10.064 7.877 1.00 0.00 O ATOM 106 CB GLN A 7 3.650 10.188 8.181 1.00 0.00 C ATOM 107 CG GLN A 7 5.076 9.733 8.429 1.00 0.00 C ATOM 108 CD GLN A 7 5.849 10.565 9.415 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.296 11.110 10.359 1.00 0.00 O ATOM 110 NE2 GLN A 7 7.137 10.642 9.225 1.00 0.00 N ATOM 0 H GLN A 7 3.783 7.633 6.339 1.00 0.00 H new ATOM 0 HA GLN A 7 2.854 8.300 8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.649 11.113 7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.157 10.402 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.056 8.703 8.784 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.611 9.732 7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.563 10.174 8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.718 11.170 9.876 1.00 0.00 H new ATOM 119 N LEU A 8 1.003 8.810 6.031 1.00 0.00 N ATOM 120 CA LEU A 8 -0.349 8.768 5.617 1.00 0.00 C ATOM 121 C LEU A 8 -0.954 7.670 6.330 1.00 0.00 C ATOM 122 O LEU A 8 -0.277 6.700 6.694 1.00 0.00 O ATOM 123 CB LEU A 8 -0.447 8.501 4.128 1.00 0.00 C ATOM 124 CG LEU A 8 -0.117 9.665 3.243 1.00 0.00 C ATOM 125 CD1 LEU A 8 0.279 9.186 1.844 1.00 0.00 C ATOM 126 CD2 LEU A 8 -1.316 10.597 3.148 1.00 0.00 C ATOM 0 H LEU A 8 1.632 8.329 5.388 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.843 9.718 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.221 7.676 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.460 8.170 3.901 1.00 0.00 H new ATOM 0 HG LEU A 8 0.726 10.202 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.514 10.047 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.153 8.539 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.548 8.631 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.071 11.441 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.165 10.056 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.573 10.962 4.142 1.00 0.00 H new ATOM 138 N GLU A 9 -2.184 7.800 6.557 1.00 0.00 N ATOM 139 CA GLU A 9 -2.889 6.759 7.217 1.00 0.00 C ATOM 140 C GLU A 9 -3.007 5.650 6.208 1.00 0.00 C ATOM 141 O GLU A 9 -3.037 5.900 5.000 1.00 0.00 O ATOM 142 CB GLU A 9 -4.246 7.233 7.744 1.00 0.00 C ATOM 143 CG GLU A 9 -4.759 6.446 8.964 1.00 0.00 C ATOM 144 CD GLU A 9 -5.284 5.072 8.666 1.00 0.00 C ATOM 145 OE1 GLU A 9 -6.455 4.959 8.275 1.00 0.00 O ATOM 146 OE2 GLU A 9 -4.524 4.096 8.816 1.00 0.00 O ATOM 0 H GLU A 9 -2.743 8.614 6.302 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.362 6.416 8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.171 8.287 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.981 7.158 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.948 6.358 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.550 7.024 9.442 1.00 0.00 H new ATOM 153 N SER A 10 -2.998 4.492 6.664 1.00 0.00 N ATOM 154 CA SER A 10 -2.972 3.369 5.853 1.00 0.00 C ATOM 155 C SER A 10 -4.363 2.979 5.390 1.00 0.00 C ATOM 156 O SER A 10 -5.367 3.462 5.904 1.00 0.00 O ATOM 157 CB SER A 10 -2.386 2.286 6.691 1.00 0.00 C ATOM 158 OG SER A 10 -3.237 1.941 7.787 1.00 0.00 O ATOM 0 H SER A 10 -3.009 4.281 7.662 1.00 0.00 H new ATOM 0 HA SER A 10 -2.391 3.555 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.212 1.404 6.075 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.416 2.606 7.071 1.00 0.00 H new ATOM 0 HG SER A 10 -3.750 2.729 8.064 1.00 0.00 H new ATOM 164 N CYS A 11 -4.417 2.165 4.383 1.00 0.00 N ATOM 165 CA CYS A 11 -5.621 1.541 4.008 1.00 0.00 C ATOM 166 C CYS A 11 -5.245 0.480 3.043 1.00 0.00 C ATOM 167 O CYS A 11 -4.106 0.442 2.584 1.00 0.00 O ATOM 168 CB CYS A 11 -6.674 2.493 3.388 1.00 0.00 C ATOM 169 SG CYS A 11 -8.346 1.726 3.351 1.00 0.00 S ATOM 0 H CYS A 11 -3.615 1.921 3.802 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.110 1.151 4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.711 3.419 3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.373 2.758 2.375 1.00 0.00 H new ATOM 174 N ALA A 12 -6.153 -0.346 2.730 1.00 0.00 N ATOM 175 CA ALA A 12 -5.917 -1.409 1.837 1.00 0.00 C ATOM 176 C ALA A 12 -6.959 -1.336 0.787 1.00 0.00 C ATOM 177 O ALA A 12 -8.120 -1.044 1.088 1.00 0.00 O ATOM 178 CB ALA A 12 -5.980 -2.743 2.565 1.00 0.00 C ATOM 0 H ALA A 12 -7.106 -0.307 3.093 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.923 -1.330 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.795 -3.552 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.223 -2.766 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.967 -2.868 3.010 1.00 0.00 H new ATOM 184 N CYS A 13 -6.556 -1.498 -0.425 1.00 0.00 N ATOM 185 CA CYS A 13 -7.452 -1.525 -1.500 1.00 0.00 C ATOM 186 C CYS A 13 -8.318 -2.762 -1.366 1.00 0.00 C ATOM 187 O CYS A 13 -7.818 -3.837 -1.070 1.00 0.00 O ATOM 188 CB CYS A 13 -6.641 -1.443 -2.792 1.00 0.00 C ATOM 189 SG CYS A 13 -5.631 0.123 -2.867 1.00 0.00 S ATOM 0 H CYS A 13 -5.578 -1.616 -0.689 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.137 -0.677 -1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.980 -2.307 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.314 -1.485 -3.648 1.00 0.00 H new ATOM 194 N ASN A 14 -9.639 -2.557 -1.480 1.00 0.00 N ATOM 195 CA ASN A 14 -10.671 -3.610 -1.294 1.00 0.00 C ATOM 196 C ASN A 14 -10.385 -4.802 -2.199 1.00 0.00 C ATOM 197 O ASN A 14 -10.739 -5.939 -1.892 1.00 0.00 O ATOM 198 CB ASN A 14 -12.070 -3.013 -1.616 1.00 0.00 C ATOM 199 CG ASN A 14 -13.308 -3.851 -1.181 1.00 0.00 C ATOM 200 OD1 ASN A 14 -14.346 -3.287 -0.886 1.00 0.00 O ATOM 201 ND2 ASN A 14 -13.222 -5.159 -1.146 1.00 0.00 N ATOM 0 H ASN A 14 -10.035 -1.645 -1.707 1.00 0.00 H new ATOM 0 HA ASN A 14 -10.651 -3.956 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.139 -2.034 -1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.131 -2.851 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.030 -5.716 -0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.347 -5.619 -1.396 1.00 0.00 H new ATOM 208 N GLU A 15 -9.740 -4.532 -3.295 1.00 0.00 N ATOM 209 CA GLU A 15 -9.393 -5.520 -4.214 1.00 0.00 C ATOM 210 C GLU A 15 -8.135 -6.238 -3.676 1.00 0.00 C ATOM 211 O GLU A 15 -7.177 -5.579 -3.244 1.00 0.00 O ATOM 212 CB GLU A 15 -9.191 -4.872 -5.595 1.00 0.00 C ATOM 213 CG GLU A 15 -9.130 -5.829 -6.782 1.00 0.00 C ATOM 214 CD GLU A 15 -7.897 -6.651 -6.759 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.831 -6.064 -6.882 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.976 -7.863 -6.529 1.00 0.00 O ATOM 0 H GLU A 15 -9.444 -3.593 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.176 -6.268 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.004 -4.166 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.267 -4.295 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.003 -6.482 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.171 -5.260 -7.711 1.00 0.00 H new ATOM 223 N THR A 16 -8.160 -7.555 -3.717 1.00 0.00 N ATOM 224 CA THR A 16 -7.119 -8.403 -3.176 1.00 0.00 C ATOM 225 C THR A 16 -5.727 -8.066 -3.704 1.00 0.00 C ATOM 226 O THR A 16 -4.804 -7.809 -2.919 1.00 0.00 O ATOM 227 CB THR A 16 -7.432 -9.878 -3.480 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.660 -10.245 -2.830 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.289 -10.791 -3.029 1.00 0.00 C ATOM 0 H THR A 16 -8.927 -8.079 -4.139 1.00 0.00 H new ATOM 0 HA THR A 16 -7.106 -8.224 -2.101 1.00 0.00 H new ATOM 0 HB THR A 16 -7.541 -10.000 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.864 -11.184 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.539 -11.827 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.374 -10.515 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.139 -10.682 -1.955 1.00 0.00 H new ATOM 237 N ASP A 17 -5.582 -8.020 -4.986 1.00 0.00 N ATOM 238 CA ASP A 17 -4.275 -7.844 -5.571 1.00 0.00 C ATOM 239 C ASP A 17 -3.757 -6.439 -5.329 1.00 0.00 C ATOM 240 O ASP A 17 -2.557 -6.229 -5.046 1.00 0.00 O ATOM 241 CB ASP A 17 -4.312 -8.114 -7.046 1.00 0.00 C ATOM 242 CG ASP A 17 -2.965 -7.908 -7.694 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.077 -8.747 -7.507 1.00 0.00 O ATOM 244 OD2 ASP A 17 -2.763 -6.856 -8.356 1.00 0.00 O ATOM 0 H ASP A 17 -6.346 -8.101 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.603 -8.557 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.644 -9.138 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.044 -7.458 -7.516 1.00 0.00 H new ATOM 249 N ASN A 18 -4.665 -5.472 -5.377 1.00 0.00 N ATOM 250 CA ASN A 18 -4.332 -4.083 -5.190 1.00 0.00 C ATOM 251 C ASN A 18 -3.824 -3.789 -3.832 1.00 0.00 C ATOM 252 O ASN A 18 -3.199 -2.775 -3.624 1.00 0.00 O ATOM 253 CB ASN A 18 -5.468 -3.152 -5.571 1.00 0.00 C ATOM 254 CG ASN A 18 -5.489 -2.841 -7.061 1.00 0.00 C ATOM 255 OD1 ASN A 18 -4.937 -1.837 -7.497 1.00 0.00 O ATOM 256 ND2 ASN A 18 -6.051 -3.716 -7.852 1.00 0.00 N ATOM 0 H ASN A 18 -5.656 -5.640 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.512 -3.887 -5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.417 -3.605 -5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.376 -2.222 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.038 -3.573 -8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.503 -4.542 -7.460 1.00 0.00 H new ATOM 263 N SER A 19 -4.032 -4.694 -2.914 1.00 0.00 N ATOM 264 CA SER A 19 -3.503 -4.482 -1.575 1.00 0.00 C ATOM 265 C SER A 19 -1.986 -4.748 -1.506 1.00 0.00 C ATOM 266 O SER A 19 -1.348 -4.525 -0.491 1.00 0.00 O ATOM 267 CB SER A 19 -4.300 -5.213 -0.480 1.00 0.00 C ATOM 268 OG SER A 19 -4.345 -6.623 -0.661 1.00 0.00 O ATOM 0 H SER A 19 -4.547 -5.564 -3.051 1.00 0.00 H new ATOM 0 HA SER A 19 -3.640 -3.423 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.856 -4.993 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.318 -4.824 -0.461 1.00 0.00 H new ATOM 0 HG SER A 19 -4.359 -6.830 -1.619 1.00 0.00 H new ATOM 274 N CYS A 20 -1.426 -5.232 -2.615 1.00 0.00 N ATOM 275 CA CYS A 20 0.018 -5.387 -2.755 1.00 0.00 C ATOM 276 C CYS A 20 0.635 -4.162 -3.349 1.00 0.00 C ATOM 277 O CYS A 20 1.822 -4.104 -3.659 1.00 0.00 O ATOM 278 CB CYS A 20 0.364 -6.584 -3.562 1.00 0.00 C ATOM 279 SG CYS A 20 0.349 -8.074 -2.607 1.00 0.00 S ATOM 0 H CYS A 20 -1.958 -5.525 -3.435 1.00 0.00 H new ATOM 0 HA CYS A 20 0.425 -5.529 -1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.342 -6.678 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.352 -6.448 -4.002 1.00 0.00 H new ATOM 284 N LYS A 21 -0.177 -3.228 -3.587 1.00 0.00 N ATOM 285 CA LYS A 21 0.212 -1.953 -3.930 1.00 0.00 C ATOM 286 C LYS A 21 -0.135 -1.137 -2.783 1.00 0.00 C ATOM 287 O LYS A 21 -1.122 -1.388 -2.107 1.00 0.00 O ATOM 288 CB LYS A 21 -0.411 -1.514 -5.255 1.00 0.00 C ATOM 289 CG LYS A 21 0.312 -2.035 -6.518 1.00 0.00 C ATOM 290 CD LYS A 21 0.420 -3.581 -6.682 1.00 0.00 C ATOM 291 CE LYS A 21 -0.902 -4.272 -7.014 1.00 0.00 C ATOM 292 NZ LYS A 21 -0.716 -5.737 -7.293 1.00 0.00 N ATOM 0 H LYS A 21 -1.189 -3.347 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 21 1.280 -1.865 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.447 -1.851 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.429 -0.425 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.203 -1.636 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.321 -1.622 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.140 -3.802 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.817 -4.006 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.596 -4.146 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.354 -3.792 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.385 -6.038 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.257 -5.908 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.892 -6.281 -6.424 1.00 0.00 H new ATOM 306 N VAL A 22 0.720 -0.259 -2.499 1.00 0.00 N ATOM 307 CA VAL A 22 0.633 0.480 -1.327 1.00 0.00 C ATOM 308 C VAL A 22 -0.444 1.466 -1.384 1.00 0.00 C ATOM 309 O VAL A 22 -0.372 2.421 -2.088 1.00 0.00 O ATOM 310 CB VAL A 22 1.960 1.108 -1.002 1.00 0.00 C ATOM 311 CG1 VAL A 22 1.823 2.024 0.204 1.00 0.00 C ATOM 312 CG2 VAL A 22 2.963 -0.029 -0.783 1.00 0.00 C ATOM 0 H VAL A 22 1.520 -0.027 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 22 0.380 -0.202 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 22 2.319 1.738 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.790 2.474 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.100 2.809 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.481 1.446 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.941 0.389 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.626 -0.658 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.037 -0.629 -1.690 1.00 0.00 H new ATOM 322 N CYS A 23 -1.458 1.166 -0.708 1.00 0.00 N ATOM 323 CA CYS A 23 -2.550 2.073 -0.584 1.00 0.00 C ATOM 324 C CYS A 23 -2.378 2.903 0.694 1.00 0.00 C ATOM 325 O CYS A 23 -1.876 2.418 1.710 1.00 0.00 O ATOM 326 CB CYS A 23 -3.883 1.343 -0.527 1.00 0.00 C ATOM 327 SG CYS A 23 -4.025 -0.169 -1.610 1.00 0.00 S ATOM 0 H CYS A 23 -1.578 0.283 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.552 2.718 -1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.070 1.047 0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.671 2.042 -0.806 1.00 0.00 H new ATOM 332 N CYS A 24 -2.778 4.130 0.630 1.00 0.00 N ATOM 333 CA CYS A 24 -2.745 5.028 1.738 1.00 0.00 C ATOM 334 C CYS A 24 -4.129 5.589 1.856 1.00 0.00 C ATOM 335 O CYS A 24 -5.022 5.181 1.087 1.00 0.00 O ATOM 336 CB CYS A 24 -1.740 6.142 1.466 1.00 0.00 C ATOM 337 SG CYS A 24 -0.058 5.546 1.155 1.00 0.00 S ATOM 0 H CYS A 24 -3.149 4.549 -0.223 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.443 4.528 2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.076 6.720 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.724 6.821 2.319 1.00 0.00 H new ATOM 342 N ARG A 25 -4.364 6.458 2.779 1.00 0.00 N ATOM 343 CA ARG A 25 -5.630 7.023 2.883 1.00 0.00 C ATOM 344 C ARG A 25 -5.485 8.494 2.726 1.00 0.00 C ATOM 345 O ARG A 25 -4.431 9.056 3.042 1.00 0.00 O ATOM 346 CB ARG A 25 -6.248 6.703 4.203 1.00 0.00 C ATOM 347 CG ARG A 25 -7.736 6.710 4.116 1.00 0.00 C ATOM 348 CD ARG A 25 -8.380 6.760 5.451 1.00 0.00 C ATOM 349 NE ARG A 25 -8.073 5.580 6.252 1.00 0.00 N ATOM 350 CZ ARG A 25 -8.719 4.419 6.219 1.00 0.00 C ATOM 351 NH1 ARG A 25 -9.781 4.241 5.409 1.00 0.00 N ATOM 352 NH2 ARG A 25 -8.292 3.444 7.002 1.00 0.00 N ATOM 0 H ARG A 25 -3.683 6.782 3.466 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.283 6.618 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.905 5.725 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.921 7.430 4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.059 7.569 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.071 5.817 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.048 7.653 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.460 6.844 5.329 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.288 5.653 6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.099 5.003 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.267 3.344 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.487 3.594 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.768 2.542 6.998 1.00 0.00 H new ATOM 366 N ASP A 26 -6.502 9.107 2.254 1.00 0.00 N ATOM 367 CA ASP A 26 -6.476 10.477 1.980 1.00 0.00 C ATOM 368 C ASP A 26 -7.484 11.185 2.859 1.00 0.00 C ATOM 369 O ASP A 26 -8.160 10.563 3.684 1.00 0.00 O ATOM 370 CB ASP A 26 -6.747 10.712 0.480 1.00 0.00 C ATOM 371 CG ASP A 26 -8.212 10.846 0.102 1.00 0.00 C ATOM 372 OD1 ASP A 26 -8.878 9.850 -0.110 1.00 0.00 O ATOM 373 OD2 ASP A 26 -8.704 11.983 -0.011 1.00 0.00 O ATOM 0 H ASP A 26 -7.392 8.654 2.045 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.492 10.889 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.224 11.616 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.316 9.885 -0.085 1.00 0.00 H new ATOM 378 N LEU A 27 -7.572 12.448 2.650 1.00 0.00 N ATOM 379 CA LEU A 27 -8.373 13.391 3.401 1.00 0.00 C ATOM 380 C LEU A 27 -9.865 13.065 3.351 1.00 0.00 C ATOM 381 O LEU A 27 -10.609 13.399 4.261 1.00 0.00 O ATOM 382 CB LEU A 27 -8.169 14.826 2.878 1.00 0.00 C ATOM 383 CG LEU A 27 -6.735 15.250 2.530 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.410 14.944 1.064 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.506 16.718 2.848 1.00 0.00 C ATOM 0 H LEU A 27 -7.053 12.900 1.897 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.036 13.314 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.784 14.951 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.552 15.517 3.629 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.055 14.666 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.388 15.255 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.510 13.873 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.100 15.486 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.482 16.990 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.200 17.328 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.672 16.890 3.912 1.00 0.00 H new ATOM 397 N SER A 28 -10.280 12.405 2.299 1.00 0.00 N ATOM 398 CA SER A 28 -11.651 12.079 2.088 1.00 0.00 C ATOM 399 C SER A 28 -11.977 10.773 2.799 1.00 0.00 C ATOM 400 O SER A 28 -13.117 10.304 2.784 1.00 0.00 O ATOM 401 CB SER A 28 -11.938 11.985 0.575 1.00 0.00 C ATOM 402 OG SER A 28 -13.302 11.707 0.298 1.00 0.00 O ATOM 0 H SER A 28 -9.658 12.078 1.559 1.00 0.00 H new ATOM 0 HA SER A 28 -12.288 12.861 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.657 12.923 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.315 11.205 0.138 1.00 0.00 H new ATOM 0 HG SER A 28 -13.682 11.173 1.027 1.00 0.00 H new ATOM 408 N GLY A 29 -10.955 10.184 3.392 1.00 0.00 N ATOM 409 CA GLY A 29 -11.080 8.959 4.097 1.00 0.00 C ATOM 410 C GLY A 29 -11.046 7.757 3.175 1.00 0.00 C ATOM 411 O GLY A 29 -11.093 6.593 3.616 1.00 0.00 O ATOM 0 H GLY A 29 -10.008 10.563 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.273 8.878 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.016 8.958 4.656 1.00 0.00 H new ATOM 415 N ARG A 30 -10.924 8.049 1.918 1.00 0.00 N ATOM 416 CA ARG A 30 -10.878 7.127 0.864 1.00 0.00 C ATOM 417 C ARG A 30 -9.494 6.492 0.772 1.00 0.00 C ATOM 418 O ARG A 30 -8.477 7.118 1.086 1.00 0.00 O ATOM 419 CB ARG A 30 -11.221 7.949 -0.340 1.00 0.00 C ATOM 420 CG ARG A 30 -10.876 7.426 -1.686 1.00 0.00 C ATOM 421 CD ARG A 30 -11.154 8.537 -2.650 1.00 0.00 C ATOM 422 NE ARG A 30 -10.380 9.758 -2.321 1.00 0.00 N ATOM 423 CZ ARG A 30 -10.485 10.941 -2.933 1.00 0.00 C ATOM 424 NH1 ARG A 30 -11.189 11.055 -4.067 1.00 0.00 N ATOM 425 NH2 ARG A 30 -9.882 12.010 -2.414 1.00 0.00 N ATOM 0 H ARG A 30 -10.850 9.014 1.595 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.563 6.288 0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.296 8.129 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.734 8.918 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.829 7.125 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.471 6.545 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.907 8.212 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.219 8.768 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.706 9.689 -1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.648 10.236 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.266 11.960 -4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.343 11.923 -1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.960 12.915 -2.878 1.00 0.00 H new ATOM 439 N CYS A 31 -9.476 5.253 0.396 1.00 0.00 N ATOM 440 CA CYS A 31 -8.262 4.508 0.272 1.00 0.00 C ATOM 441 C CYS A 31 -7.748 4.656 -1.141 1.00 0.00 C ATOM 442 O CYS A 31 -8.483 4.419 -2.102 1.00 0.00 O ATOM 443 CB CYS A 31 -8.559 3.064 0.612 1.00 0.00 C ATOM 444 SG CYS A 31 -9.479 2.923 2.185 1.00 0.00 S ATOM 0 H CYS A 31 -10.315 4.722 0.163 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.493 4.874 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.139 2.612 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.625 2.506 0.684 1.00 0.00 H new ATOM 449 N VAL A 32 -6.515 5.052 -1.264 1.00 0.00 N ATOM 450 CA VAL A 32 -5.924 5.364 -2.510 1.00 0.00 C ATOM 451 C VAL A 32 -4.580 4.722 -2.667 1.00 0.00 C ATOM 452 O VAL A 32 -3.847 4.613 -1.713 1.00 0.00 O ATOM 453 CB VAL A 32 -5.779 6.887 -2.748 1.00 0.00 C ATOM 454 CG1 VAL A 32 -7.088 7.468 -3.225 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.302 7.589 -1.463 1.00 0.00 C ATOM 0 H VAL A 32 -5.884 5.167 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.610 4.963 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.029 7.052 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.972 8.539 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.380 6.988 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.858 7.297 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.205 8.659 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.027 7.422 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.335 7.183 -1.164 1.00 0.00 H new ATOM 465 N PRO A 33 -4.257 4.274 -3.864 1.00 0.00 N ATOM 466 CA PRO A 33 -2.933 3.732 -4.165 1.00 0.00 C ATOM 467 C PRO A 33 -1.888 4.848 -4.067 1.00 0.00 C ATOM 468 O PRO A 33 -2.071 5.924 -4.651 1.00 0.00 O ATOM 469 CB PRO A 33 -3.067 3.241 -5.618 1.00 0.00 C ATOM 470 CG PRO A 33 -4.223 4.004 -6.185 1.00 0.00 C ATOM 471 CD PRO A 33 -5.154 4.265 -5.037 1.00 0.00 C ATOM 0 HA PRO A 33 -2.619 2.942 -3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.155 3.431 -6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.248 2.167 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.889 4.938 -6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.721 3.432 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.676 5.215 -5.151 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.916 3.490 -4.954 1.00 0.00 H new ATOM 479 N TYR A 34 -0.847 4.635 -3.287 1.00 0.00 N ATOM 480 CA TYR A 34 0.168 5.637 -3.122 1.00 0.00 C ATOM 481 C TYR A 34 1.023 5.898 -4.342 1.00 0.00 C ATOM 482 O TYR A 34 1.607 4.990 -4.955 1.00 0.00 O ATOM 483 CB TYR A 34 1.014 5.410 -1.849 1.00 0.00 C ATOM 484 CG TYR A 34 2.474 5.855 -1.922 1.00 0.00 C ATOM 485 CD1 TYR A 34 2.854 7.191 -2.125 1.00 0.00 C ATOM 486 CD2 TYR A 34 3.484 4.918 -1.824 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.152 7.532 -2.235 1.00 0.00 C ATOM 488 CE2 TYR A 34 4.796 5.289 -1.920 1.00 0.00 C ATOM 489 CZ TYR A 34 5.128 6.598 -2.136 1.00 0.00 C ATOM 490 OH TYR A 34 6.450 6.977 -2.259 1.00 0.00 O ATOM 0 H TYR A 34 -0.688 3.776 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.391 6.563 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.536 5.935 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.991 4.347 -1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.095 7.956 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.234 3.879 -1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.419 8.565 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.574 4.546 -1.825 1.00 0.00 H new ATOM 0 HH TYR A 34 6.497 7.896 -2.596 1.00 0.00 H new ATOM 500 N VAL A 35 1.051 7.162 -4.657 1.00 0.00 N ATOM 501 CA VAL A 35 1.910 7.780 -5.561 1.00 0.00 C ATOM 502 C VAL A 35 2.049 9.098 -4.911 1.00 0.00 C ATOM 503 O VAL A 35 1.046 9.633 -4.403 1.00 0.00 O ATOM 504 CB VAL A 35 1.303 8.113 -6.927 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.322 7.961 -8.016 1.00 0.00 C ATOM 506 CG2 VAL A 35 -0.008 7.409 -7.208 1.00 0.00 C ATOM 0 H VAL A 35 0.403 7.826 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 35 2.779 7.150 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 35 1.020 9.165 -6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.867 8.203 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.157 8.636 -7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.684 6.933 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.372 7.698 -8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.145 6.330 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.742 7.692 -6.453 1.00 0.00 H new ATOM 516 N ASP A 36 3.195 9.586 -4.822 1.00 0.00 N ATOM 517 CA ASP A 36 3.377 10.876 -4.306 1.00 0.00 C ATOM 518 C ASP A 36 3.335 11.836 -5.360 1.00 0.00 C ATOM 519 O ASP A 36 3.002 11.513 -6.503 1.00 0.00 O ATOM 520 CB ASP A 36 4.559 10.978 -3.366 1.00 0.00 C ATOM 521 CG ASP A 36 5.862 10.486 -3.945 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.183 10.788 -5.129 1.00 0.00 O ATOM 523 OD2 ASP A 36 6.615 9.779 -3.230 1.00 0.00 O ATOM 0 H ASP A 36 4.051 9.109 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 36 2.540 11.119 -3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.679 12.019 -3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.339 10.409 -2.463 1.00 0.00 H new ATOM 528 N ALA A 37 3.626 12.997 -5.022 1.00 0.00 N ATOM 529 CA ALA A 37 3.339 14.058 -5.851 1.00 0.00 C ATOM 530 C ALA A 37 4.318 14.137 -7.008 1.00 0.00 C ATOM 531 O ALA A 37 4.073 14.777 -8.032 1.00 0.00 O ATOM 532 CB ALA A 37 3.289 15.261 -5.013 1.00 0.00 C ATOM 0 H ALA A 37 4.080 13.247 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 37 2.371 13.938 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.063 16.128 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.513 15.145 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.253 15.405 -4.525 1.00 0.00 H new ATOM 538 N GLU A 38 5.413 13.466 -6.812 1.00 0.00 N ATOM 539 CA GLU A 38 6.411 13.300 -7.733 1.00 0.00 C ATOM 540 C GLU A 38 6.170 12.028 -8.554 1.00 0.00 C ATOM 541 O GLU A 38 7.037 11.624 -9.340 1.00 0.00 O ATOM 542 CB GLU A 38 7.710 13.190 -7.004 1.00 0.00 C ATOM 543 CG GLU A 38 8.002 14.358 -6.071 1.00 0.00 C ATOM 544 CD GLU A 38 7.681 14.033 -4.630 1.00 0.00 C ATOM 545 OE1 GLU A 38 6.497 13.978 -4.268 1.00 0.00 O ATOM 546 OE2 GLU A 38 8.637 13.736 -3.871 1.00 0.00 O ATOM 0 H GLU A 38 5.612 13.000 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 38 6.429 14.151 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.712 12.267 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.517 13.110 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.054 14.633 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.420 15.225 -6.384 1.00 0.00 H new ATOM 553 N GLN A 39 5.000 11.370 -8.323 1.00 0.00 N ATOM 554 CA GLN A 39 4.555 10.244 -9.039 1.00 0.00 C ATOM 555 C GLN A 39 5.423 9.018 -8.790 1.00 0.00 C ATOM 556 O GLN A 39 5.568 8.149 -9.668 1.00 0.00 O ATOM 557 CB GLN A 39 4.459 10.618 -10.479 1.00 0.00 C ATOM 558 CG GLN A 39 3.334 11.589 -10.775 1.00 0.00 C ATOM 559 CD GLN A 39 1.959 10.970 -10.626 1.00 0.00 C ATOM 560 OE1 GLN A 39 1.363 10.994 -9.571 1.00 0.00 O ATOM 561 NE2 GLN A 39 1.450 10.409 -11.695 1.00 0.00 N ATOM 0 H GLN A 39 4.348 11.658 -7.593 1.00 0.00 H new ATOM 0 HA GLN A 39 3.567 9.948 -8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.404 11.060 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.315 9.715 -11.072 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.415 12.445 -10.105 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.447 11.968 -11.791 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.976 10.405 -12.569 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.527 9.976 -11.654 1.00 0.00 H new ATOM 570 N LYS A 40 5.964 8.904 -7.577 1.00 0.00 N ATOM 571 CA LYS A 40 6.685 7.725 -7.229 1.00 0.00 C ATOM 572 C LYS A 40 5.705 6.677 -6.876 1.00 0.00 C ATOM 573 O LYS A 40 4.748 6.928 -6.159 1.00 0.00 O ATOM 574 CB LYS A 40 7.572 7.916 -6.055 1.00 0.00 C ATOM 575 CG LYS A 40 8.576 8.998 -6.203 1.00 0.00 C ATOM 576 CD LYS A 40 9.512 9.024 -5.005 1.00 0.00 C ATOM 577 CE LYS A 40 9.881 10.441 -4.617 1.00 0.00 C ATOM 578 NZ LYS A 40 8.699 11.168 -4.134 1.00 0.00 N ATOM 0 H LYS A 40 5.907 9.612 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 40 7.306 7.457 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.955 8.129 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.094 6.980 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.150 8.847 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.072 9.960 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.036 8.527 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.417 8.462 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.647 10.424 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.308 10.960 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.980 12.121 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.001 11.245 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.279 10.654 -3.334 1.00 0.00 H new ATOM 592 N ASN A 41 5.958 5.531 -7.336 1.00 0.00 N ATOM 593 CA ASN A 41 5.075 4.432 -7.142 1.00 0.00 C ATOM 594 C ASN A 41 5.723 3.426 -6.251 1.00 0.00 C ATOM 595 O ASN A 41 6.937 3.216 -6.325 1.00 0.00 O ATOM 596 CB ASN A 41 4.736 3.808 -8.474 1.00 0.00 C ATOM 597 CG ASN A 41 3.674 4.573 -9.258 1.00 0.00 C ATOM 598 OD1 ASN A 41 2.498 4.275 -9.166 1.00 0.00 O ATOM 599 ND2 ASN A 41 4.076 5.576 -10.007 1.00 0.00 N ATOM 0 H ASN A 41 6.797 5.306 -7.871 1.00 0.00 H new ATOM 0 HA ASN A 41 4.154 4.782 -6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.642 3.743 -9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.389 2.788 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.395 6.127 -10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.069 5.803 -10.065 1.00 0.00 H new ATOM 606 N LEU A 42 4.938 2.800 -5.435 1.00 0.00 N ATOM 607 CA LEU A 42 5.438 1.856 -4.483 1.00 0.00 C ATOM 608 C LEU A 42 4.615 0.566 -4.465 1.00 0.00 C ATOM 609 O LEU A 42 3.407 0.542 -4.167 1.00 0.00 O ATOM 610 CB LEU A 42 5.587 2.521 -3.106 1.00 0.00 C ATOM 611 CG LEU A 42 5.699 1.630 -1.888 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.868 0.662 -1.953 1.00 0.00 C ATOM 613 CD2 LEU A 42 5.724 2.409 -0.586 1.00 0.00 C ATOM 0 H LEU A 42 3.926 2.928 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 42 6.436 1.541 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.473 3.155 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.730 3.178 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 42 4.786 1.034 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.888 0.055 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.756 0.014 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.800 1.222 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.805 1.716 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.580 3.084 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.805 2.987 -0.490 1.00 0.00 H new ATOM 625 N PHE A 43 5.294 -0.476 -4.831 1.00 0.00 N ATOM 626 CA PHE A 43 4.818 -1.788 -4.920 1.00 0.00 C ATOM 627 C PHE A 43 5.237 -2.493 -3.617 1.00 0.00 C ATOM 628 O PHE A 43 6.418 -2.429 -3.246 1.00 0.00 O ATOM 629 CB PHE A 43 5.531 -2.380 -6.137 1.00 0.00 C ATOM 630 CG PHE A 43 4.988 -3.642 -6.723 1.00 0.00 C ATOM 631 CD1 PHE A 43 3.954 -3.590 -7.640 1.00 0.00 C ATOM 632 CD2 PHE A 43 5.541 -4.865 -6.412 1.00 0.00 C ATOM 633 CE1 PHE A 43 3.475 -4.737 -8.229 1.00 0.00 C ATOM 634 CE2 PHE A 43 5.074 -6.015 -7.005 1.00 0.00 C ATOM 635 CZ PHE A 43 4.036 -5.950 -7.916 1.00 0.00 C ATOM 0 H PHE A 43 6.277 -0.406 -5.094 1.00 0.00 H new ATOM 0 HA PHE A 43 3.738 -1.881 -5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.537 -1.623 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.570 -2.560 -5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.517 -2.636 -7.897 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.348 -4.921 -5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.660 -4.683 -8.936 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.518 -6.968 -6.759 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.667 -6.852 -8.381 1.00 0.00 H new ATOM 645 N LEU A 44 4.293 -3.122 -2.916 1.00 0.00 N ATOM 646 CA LEU A 44 4.557 -3.724 -1.641 1.00 0.00 C ATOM 647 C LEU A 44 5.564 -4.877 -1.773 1.00 0.00 C ATOM 648 O LEU A 44 5.895 -5.335 -2.884 1.00 0.00 O ATOM 649 CB LEU A 44 3.286 -4.247 -0.984 1.00 0.00 C ATOM 650 CG LEU A 44 3.296 -4.477 0.537 1.00 0.00 C ATOM 651 CD1 LEU A 44 3.711 -3.219 1.280 1.00 0.00 C ATOM 652 CD2 LEU A 44 1.915 -4.923 0.994 1.00 0.00 C ATOM 0 H LEU A 44 3.328 -3.220 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 44 4.978 -2.941 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.482 -3.546 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.029 -5.192 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 44 4.025 -5.255 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.709 -3.412 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.713 -2.925 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.010 -2.415 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.923 -5.086 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.184 -4.152 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.647 -5.851 0.489 1.00 0.00 H new ATOM 664 N ARG A 45 6.022 -5.352 -0.664 1.00 0.00 N ATOM 665 CA ARG A 45 7.026 -6.333 -0.600 1.00 0.00 C ATOM 666 C ARG A 45 6.557 -7.627 0.078 1.00 0.00 C ATOM 667 O ARG A 45 5.483 -7.685 0.674 1.00 0.00 O ATOM 668 CB ARG A 45 8.183 -5.745 0.125 1.00 0.00 C ATOM 669 CG ARG A 45 9.547 -5.811 -0.622 1.00 0.00 C ATOM 670 CD ARG A 45 9.601 -4.996 -1.943 1.00 0.00 C ATOM 671 NE ARG A 45 8.617 -5.448 -2.943 1.00 0.00 N ATOM 672 CZ ARG A 45 8.847 -6.203 -4.024 1.00 0.00 C ATOM 673 NH1 ARG A 45 10.096 -6.547 -4.370 1.00 0.00 N ATOM 674 NH2 ARG A 45 7.811 -6.593 -4.764 1.00 0.00 N ATOM 0 H ARG A 45 5.688 -5.049 0.251 1.00 0.00 H new ATOM 0 HA ARG A 45 7.304 -6.620 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.959 -4.701 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.288 -6.257 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.329 -5.449 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.775 -6.854 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.426 -3.943 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.602 -5.070 -2.368 1.00 0.00 H new ATOM 0 HE ARG A 45 7.652 -5.152 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.886 -6.233 -3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.256 -7.123 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.865 -6.316 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.964 -7.169 -5.592 1.00 0.00 H new ATOM 688 N LYS A 46 7.451 -8.594 0.070 1.00 0.00 N ATOM 689 CA LYS A 46 7.196 -9.971 0.489 1.00 0.00 C ATOM 690 C LYS A 46 7.020 -10.110 1.995 1.00 0.00 C ATOM 691 O LYS A 46 7.907 -9.760 2.784 1.00 0.00 O ATOM 692 CB LYS A 46 8.351 -10.854 -0.005 1.00 0.00 C ATOM 693 CG LYS A 46 8.202 -12.361 0.202 1.00 0.00 C ATOM 694 CD LYS A 46 9.480 -13.077 -0.248 1.00 0.00 C ATOM 695 CE LYS A 46 9.387 -14.603 -0.153 1.00 0.00 C ATOM 696 NZ LYS A 46 8.446 -15.184 -1.135 1.00 0.00 N ATOM 0 H LYS A 46 8.412 -8.445 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 46 6.253 -10.292 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.489 -10.669 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.264 -10.531 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.005 -12.575 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.348 -12.732 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.701 -12.797 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.315 -12.732 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.377 -15.033 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.072 -14.881 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.693 -16.180 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.477 -15.127 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.506 -14.655 -2.028 1.00 0.00 H new ATOM 710 N GLY A 47 5.859 -10.572 2.370 1.00 0.00 N ATOM 711 CA GLY A 47 5.542 -10.863 3.733 1.00 0.00 C ATOM 712 C GLY A 47 5.031 -9.662 4.448 1.00 0.00 C ATOM 713 O GLY A 47 5.256 -9.488 5.645 1.00 0.00 O ATOM 0 H GLY A 47 5.095 -10.759 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.794 -11.655 3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.430 -11.238 4.241 1.00 0.00 H new ATOM 717 N LYS A 48 4.462 -8.756 3.711 1.00 0.00 N ATOM 718 CA LYS A 48 3.776 -7.667 4.314 1.00 0.00 C ATOM 719 C LYS A 48 2.288 -7.956 4.255 1.00 0.00 C ATOM 720 O LYS A 48 1.837 -8.548 3.281 1.00 0.00 O ATOM 721 CB LYS A 48 4.119 -6.345 3.642 1.00 0.00 C ATOM 722 CG LYS A 48 5.222 -5.506 4.343 1.00 0.00 C ATOM 723 CD LYS A 48 6.646 -5.675 3.774 1.00 0.00 C ATOM 724 CE LYS A 48 7.228 -7.074 3.914 1.00 0.00 C ATOM 725 NZ LYS A 48 7.326 -7.551 5.324 1.00 0.00 N ATOM 0 H LYS A 48 4.462 -8.754 2.691 1.00 0.00 H new ATOM 0 HA LYS A 48 4.089 -7.566 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.437 -6.549 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.213 -5.743 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.947 -4.453 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.238 -5.770 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.634 -5.406 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.308 -4.969 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.611 -7.772 3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.221 -7.090 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.990 -8.350 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.668 -6.777 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.388 -7.859 5.652 1.00 0.00 H new ATOM 739 N PRO A 49 1.526 -7.614 5.308 1.00 0.00 N ATOM 740 CA PRO A 49 0.082 -7.887 5.353 1.00 0.00 C ATOM 741 C PRO A 49 -0.699 -7.128 4.284 1.00 0.00 C ATOM 742 O PRO A 49 -0.405 -5.968 3.979 1.00 0.00 O ATOM 743 CB PRO A 49 -0.345 -7.408 6.751 1.00 0.00 C ATOM 744 CG PRO A 49 0.917 -7.292 7.528 1.00 0.00 C ATOM 745 CD PRO A 49 1.982 -6.942 6.537 1.00 0.00 C ATOM 0 HA PRO A 49 -0.122 -8.941 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.863 -6.451 6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.030 -8.116 7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.832 -6.524 8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.150 -8.228 8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.067 -5.864 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.961 -7.301 6.854 1.00 0.00 H new ATOM 753 N CYS A 50 -1.661 -7.793 3.722 1.00 0.00 N ATOM 754 CA CYS A 50 -2.530 -7.250 2.754 1.00 0.00 C ATOM 755 C CYS A 50 -3.939 -7.793 3.051 1.00 0.00 C ATOM 756 O CYS A 50 -4.180 -8.241 4.167 1.00 0.00 O ATOM 757 CB CYS A 50 -2.041 -7.635 1.363 1.00 0.00 C ATOM 758 SG CYS A 50 -2.162 -9.406 0.956 1.00 0.00 S ATOM 0 H CYS A 50 -1.861 -8.769 3.943 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.554 -6.161 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.612 -7.070 0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.000 -7.327 1.264 1.00 0.00 H new ATOM 763 N THR A 51 -4.843 -7.755 2.081 1.00 0.00 N ATOM 764 CA THR A 51 -6.238 -8.192 2.264 1.00 0.00 C ATOM 765 C THR A 51 -6.383 -9.624 2.782 1.00 0.00 C ATOM 766 O THR A 51 -6.803 -9.866 3.906 1.00 0.00 O ATOM 767 CB THR A 51 -6.974 -8.128 0.919 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.107 -8.638 -0.122 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.388 -6.738 0.594 1.00 0.00 C ATOM 0 H THR A 51 -4.638 -7.421 1.139 1.00 0.00 H new ATOM 0 HA THR A 51 -6.658 -7.518 3.011 1.00 0.00 H new ATOM 0 HB THR A 51 -7.875 -8.738 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.521 -7.920 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.907 -6.728 -0.365 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.055 -6.366 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.506 -6.100 0.537 1.00 0.00 H new ATOM 777 N VAL A 52 -6.034 -10.536 1.935 1.00 0.00 N ATOM 778 CA VAL A 52 -6.231 -11.959 2.179 1.00 0.00 C ATOM 779 C VAL A 52 -5.105 -12.634 2.970 1.00 0.00 C ATOM 780 O VAL A 52 -5.185 -13.823 3.248 1.00 0.00 O ATOM 781 CB VAL A 52 -6.482 -12.720 0.855 1.00 0.00 C ATOM 782 CG1 VAL A 52 -7.732 -12.185 0.170 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.282 -12.614 -0.079 1.00 0.00 C ATOM 0 H VAL A 52 -5.597 -10.329 1.037 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.116 -12.015 2.813 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.630 -13.773 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.898 -12.728 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.592 -12.318 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.602 -11.125 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.489 -13.159 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.093 -11.566 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.405 -13.042 0.406 1.00 0.00 H new ATOM 793 N GLY A 53 -4.099 -11.887 3.351 1.00 0.00 N ATOM 794 CA GLY A 53 -3.009 -12.464 4.070 1.00 0.00 C ATOM 795 C GLY A 53 -1.752 -11.676 3.889 1.00 0.00 C ATOM 796 O GLY A 53 -1.692 -10.498 4.276 1.00 0.00 O ATOM 0 H GLY A 53 -4.019 -10.886 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.258 -12.515 5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.850 -13.487 3.731 1.00 0.00 H new ATOM 800 N PHE A 54 -0.760 -12.278 3.299 1.00 0.00 N ATOM 801 CA PHE A 54 0.484 -11.614 3.065 1.00 0.00 C ATOM 802 C PHE A 54 0.717 -11.433 1.596 1.00 0.00 C ATOM 803 O PHE A 54 0.201 -12.171 0.754 1.00 0.00 O ATOM 804 CB PHE A 54 1.685 -12.334 3.721 1.00 0.00 C ATOM 805 CG PHE A 54 1.622 -12.367 5.224 1.00 0.00 C ATOM 806 CD1 PHE A 54 2.051 -11.280 5.967 1.00 0.00 C ATOM 807 CD2 PHE A 54 1.131 -13.479 5.892 1.00 0.00 C ATOM 808 CE1 PHE A 54 1.994 -11.297 7.344 1.00 0.00 C ATOM 809 CE2 PHE A 54 1.072 -13.502 7.273 1.00 0.00 C ATOM 810 CZ PHE A 54 1.504 -12.410 7.999 1.00 0.00 C ATOM 0 H PHE A 54 -0.793 -13.242 2.968 1.00 0.00 H new ATOM 0 HA PHE A 54 0.409 -10.636 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.734 -13.356 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.606 -11.838 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.435 -10.407 5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.792 -14.335 5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.332 -10.441 7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.688 -14.373 7.783 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.459 -12.426 9.078 1.00 0.00 H new ATOM 820 N CYS A 55 1.446 -10.435 1.301 1.00 0.00 N ATOM 821 CA CYS A 55 1.797 -10.103 -0.033 1.00 0.00 C ATOM 822 C CYS A 55 3.147 -10.681 -0.323 1.00 0.00 C ATOM 823 O CYS A 55 4.019 -10.627 0.533 1.00 0.00 O ATOM 824 CB CYS A 55 1.897 -8.610 -0.134 1.00 0.00 C ATOM 825 SG CYS A 55 2.191 -8.019 -1.804 1.00 0.00 S ATOM 0 H CYS A 55 1.833 -9.799 1.998 1.00 0.00 H new ATOM 0 HA CYS A 55 1.055 -10.489 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.975 -8.166 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.704 -8.264 0.512 1.00 0.00 H new ATOM 830 N ASP A 56 3.348 -11.243 -1.483 1.00 0.00 N ATOM 831 CA ASP A 56 4.668 -11.743 -1.792 1.00 0.00 C ATOM 832 C ASP A 56 5.403 -10.708 -2.649 1.00 0.00 C ATOM 833 O ASP A 56 4.868 -9.640 -2.931 1.00 0.00 O ATOM 834 CB ASP A 56 4.620 -13.105 -2.498 1.00 0.00 C ATOM 835 CG ASP A 56 5.910 -13.880 -2.276 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.932 -13.642 -2.987 1.00 0.00 O ATOM 837 OD2 ASP A 56 5.967 -14.677 -1.336 1.00 0.00 O ATOM 0 H ASP A 56 2.644 -11.366 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 56 5.207 -11.899 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.775 -13.683 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.458 -12.959 -3.566 1.00 0.00 H new ATOM 842 N MET A 57 6.598 -11.034 -3.106 1.00 0.00 N ATOM 843 CA MET A 57 7.409 -10.177 -3.872 1.00 0.00 C ATOM 844 C MET A 57 6.827 -10.049 -5.281 1.00 0.00 C ATOM 845 O MET A 57 7.153 -9.120 -6.033 1.00 0.00 O ATOM 846 CB MET A 57 8.808 -10.772 -3.889 1.00 0.00 C ATOM 847 CG MET A 57 9.746 -9.989 -4.696 1.00 0.00 C ATOM 848 SD MET A 57 11.454 -10.541 -4.581 1.00 0.00 S ATOM 849 CE MET A 57 11.347 -12.193 -5.277 1.00 0.00 C ATOM 0 H MET A 57 7.024 -11.944 -2.933 1.00 0.00 H new ATOM 0 HA MET A 57 7.449 -9.174 -3.448 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.182 -10.839 -2.867 1.00 0.00 H new ATOM 0 HB3 MET A 57 8.761 -11.789 -4.279 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.432 -10.029 -5.739 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.691 -8.945 -4.386 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.351 -12.580 -5.450 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.821 -12.847 -4.582 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.804 -12.155 -6.222 1.00 0.00 H new ATOM 859 N ASN A 58 5.952 -10.990 -5.594 1.00 0.00 N ATOM 860 CA ASN A 58 5.201 -11.028 -6.840 1.00 0.00 C ATOM 861 C ASN A 58 4.262 -9.824 -6.916 1.00 0.00 C ATOM 862 O ASN A 58 3.999 -9.307 -7.990 1.00 0.00 O ATOM 863 CB ASN A 58 4.393 -12.349 -6.898 1.00 0.00 C ATOM 864 CG ASN A 58 3.464 -12.516 -8.118 1.00 0.00 C ATOM 865 OD1 ASN A 58 2.424 -13.164 -8.022 1.00 0.00 O ATOM 866 ND2 ASN A 58 3.824 -11.966 -9.254 1.00 0.00 N ATOM 0 H ASN A 58 5.738 -11.770 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 58 5.884 -10.985 -7.688 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.095 -13.183 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.790 -12.424 -5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.236 -12.072 -10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.692 -11.433 -9.310 1.00 0.00 H new ATOM 873 N GLY A 59 3.816 -9.355 -5.760 1.00 0.00 N ATOM 874 CA GLY A 59 2.882 -8.259 -5.731 1.00 0.00 C ATOM 875 C GLY A 59 1.483 -8.748 -5.768 1.00 0.00 C ATOM 876 O GLY A 59 0.589 -8.057 -6.254 1.00 0.00 O ATOM 0 H GLY A 59 4.086 -9.716 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.040 -7.667 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.063 -7.601 -6.581 1.00 0.00 H new ATOM 880 N LYS A 60 1.308 -9.912 -5.207 1.00 0.00 N ATOM 881 CA LYS A 60 0.047 -10.576 -5.079 1.00 0.00 C ATOM 882 C LYS A 60 0.051 -11.148 -3.723 1.00 0.00 C ATOM 883 O LYS A 60 1.108 -11.416 -3.141 1.00 0.00 O ATOM 884 CB LYS A 60 -0.063 -11.716 -6.069 1.00 0.00 C ATOM 885 CG LYS A 60 -1.464 -12.319 -6.235 1.00 0.00 C ATOM 886 CD LYS A 60 -1.443 -13.563 -7.128 1.00 0.00 C ATOM 887 CE LYS A 60 -0.637 -14.709 -6.498 1.00 0.00 C ATOM 888 NZ LYS A 60 -1.243 -15.191 -5.234 1.00 0.00 N ATOM 0 H LYS A 60 2.080 -10.446 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.778 -9.887 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.278 -11.362 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.619 -12.508 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.866 -12.580 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.133 -11.573 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.465 -13.896 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.013 -13.307 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.570 -15.536 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.381 -14.372 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.614 -15.892 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.377 -14.389 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.164 -15.631 -5.436 1.00 0.00 H new ATOM 902 N CYS A 61 -1.083 -11.337 -3.265 1.00 0.00 N ATOM 903 CA CYS A 61 -1.351 -11.843 -1.988 1.00 0.00 C ATOM 904 C CYS A 61 -1.622 -13.309 -2.139 1.00 0.00 C ATOM 905 O CYS A 61 -2.238 -13.691 -3.163 1.00 0.00 O ATOM 906 CB CYS A 61 -2.568 -11.130 -1.508 1.00 0.00 C ATOM 907 SG CYS A 61 -2.339 -9.389 -1.063 1.00 0.00 S ATOM 0 H CYS A 61 -1.928 -11.133 -3.798 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.530 -11.702 -1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.331 -11.189 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.957 -11.660 -0.638 1.00 0.00 H new ATOM 912 N GLU A 62 -1.160 -14.097 -1.158 1.00 0.00 N ATOM 913 CA GLU A 62 -1.234 -15.549 -1.103 1.00 0.00 C ATOM 914 C GLU A 62 -1.133 -16.183 -2.510 1.00 0.00 C ATOM 915 O GLU A 62 -0.028 -16.161 -3.118 1.00 0.00 O ATOM 916 CB GLU A 62 -2.513 -15.929 -0.395 1.00 0.00 C ATOM 917 CG GLU A 62 -2.679 -15.386 1.037 1.00 0.00 C ATOM 918 CD GLU A 62 -1.530 -15.702 1.980 1.00 0.00 C ATOM 919 OE1 GLU A 62 -1.382 -16.869 2.388 1.00 0.00 O ATOM 920 OE2 GLU A 62 -0.802 -14.750 2.362 1.00 0.00 O ATOM 921 OXT GLU A 62 -2.172 -16.596 -3.087 1.00 0.00 O ATOM 0 H GLU A 62 -0.699 -13.706 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.383 -15.941 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.354 -15.580 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.576 -17.017 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.802 -14.304 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.598 -15.792 1.459 1.00 0.00 H new TER 928 GLU A 62