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 Single : A 1 PHE N :NH3+ -145:sc= 0.176 (180deg=-1.71!) USER MOD Single : A 6 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.1) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 14 ASN : amide:sc= 0.434 K(o=0.43,f=-0.14) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.6! C(o=-1.6!,f=-5.5!) USER MOD Single : A 19 SER OG : rot 9:sc= -0.767! USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= -0.144 (180deg=-1.67) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -9:sc= 1.24 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0.155 (180deg=0.0484) USER MOD Single : A 41 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.77) USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= 0.596 (180deg=-1.16!) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0.438 (180deg=0.355) USER MOD Single : A 51 THR OG1 : rot -52:sc= -0.97 USER MOD Single : A 57 MET CE :methyl -120:sc= -0.176 (180deg=-0.614) USER MOD Single : A 58 ASN : amide:sc= -0.767 K(o=-0.77,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.777! (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.394 2.876 5.474 1.00 0.00 N ATOM 2 CA PHE A 1 5.065 2.911 4.043 1.00 0.00 C ATOM 3 C PHE A 1 4.264 4.147 3.660 1.00 0.00 C ATOM 4 O PHE A 1 4.529 4.773 2.641 1.00 0.00 O ATOM 5 CB PHE A 1 4.461 1.593 3.520 1.00 0.00 C ATOM 6 CG PHE A 1 3.347 0.983 4.329 1.00 0.00 C ATOM 7 CD1 PHE A 1 3.628 0.095 5.358 1.00 0.00 C ATOM 8 CD2 PHE A 1 2.029 1.261 4.038 1.00 0.00 C ATOM 9 CE1 PHE A 1 2.610 -0.495 6.077 1.00 0.00 C ATOM 10 CE2 PHE A 1 1.011 0.681 4.752 1.00 0.00 C ATOM 11 CZ PHE A 1 1.299 -0.201 5.774 1.00 0.00 C ATOM 0 H1 PHE A 1 6.333 2.448 5.604 1.00 0.00 H new ATOM 0 H2 PHE A 1 5.400 3.845 5.853 1.00 0.00 H new ATOM 0 H3 PHE A 1 4.683 2.311 5.980 1.00 0.00 H new ATOM 0 HA PHE A 1 6.016 3.002 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.090 1.768 2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 1 5.264 0.860 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 1 4.655 -0.136 5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 1 1.794 1.945 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 1 2.840 -1.185 6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.016 0.915 4.514 1.00 0.00 H new ATOM 0 HZ PHE A 1 0.498 -0.660 6.335 1.00 0.00 H new ATOM 21 N CYS A 2 3.295 4.486 4.451 1.00 0.00 N ATOM 22 CA CYS A 2 2.586 5.716 4.289 1.00 0.00 C ATOM 23 C CYS A 2 2.928 6.647 5.450 1.00 0.00 C ATOM 24 O CYS A 2 3.061 7.864 5.282 1.00 0.00 O ATOM 25 CB CYS A 2 1.080 5.459 4.283 1.00 0.00 C ATOM 26 SG CYS A 2 0.503 4.361 2.965 1.00 0.00 S ATOM 0 H CYS A 2 2.972 3.914 5.231 1.00 0.00 H new ATOM 0 HA CYS A 2 2.875 6.172 3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 2 0.795 5.031 5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.563 6.414 4.193 1.00 0.00 H new ATOM 31 N GLU A 3 3.105 6.023 6.599 1.00 0.00 N ATOM 32 CA GLU A 3 3.276 6.642 7.916 1.00 0.00 C ATOM 33 C GLU A 3 4.388 7.688 7.958 1.00 0.00 C ATOM 34 O GLU A 3 4.128 8.873 8.075 1.00 0.00 O ATOM 35 CB GLU A 3 3.563 5.570 9.012 1.00 0.00 C ATOM 36 CG GLU A 3 2.777 4.241 8.923 1.00 0.00 C ATOM 37 CD GLU A 3 3.260 3.345 7.785 1.00 0.00 C ATOM 38 OE1 GLU A 3 4.283 2.688 7.918 1.00 0.00 O ATOM 39 OE2 GLU A 3 2.661 3.361 6.705 1.00 0.00 O ATOM 0 H GLU A 3 3.136 5.005 6.649 1.00 0.00 H new ATOM 0 HA GLU A 3 2.331 7.147 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.627 5.336 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.360 6.018 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.871 3.704 9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.718 4.459 8.784 1.00 0.00 H new ATOM 46 N ARG A 4 5.613 7.246 7.870 1.00 0.00 N ATOM 47 CA ARG A 4 6.733 8.123 7.991 1.00 0.00 C ATOM 48 C ARG A 4 6.924 8.855 6.701 1.00 0.00 C ATOM 49 O ARG A 4 7.283 10.037 6.674 1.00 0.00 O ATOM 50 CB ARG A 4 8.003 7.303 8.384 1.00 0.00 C ATOM 51 CG ARG A 4 9.322 8.091 8.663 1.00 0.00 C ATOM 52 CD ARG A 4 10.283 8.207 7.443 1.00 0.00 C ATOM 53 NE ARG A 4 9.816 9.123 6.386 1.00 0.00 N ATOM 54 CZ ARG A 4 10.273 9.182 5.123 1.00 0.00 C ATOM 55 NH1 ARG A 4 11.249 8.360 4.716 1.00 0.00 N ATOM 56 NH2 ARG A 4 9.721 10.051 4.259 1.00 0.00 N ATOM 0 H ARG A 4 5.857 6.268 7.713 1.00 0.00 H new ATOM 0 HA ARG A 4 6.556 8.857 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.764 6.723 9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.202 6.590 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.065 9.095 9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.853 7.605 9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.258 8.544 7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.425 7.216 7.012 1.00 0.00 H new ATOM 0 HE ARG A 4 9.074 9.776 6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.650 7.684 5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.591 8.410 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.961 10.660 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.062 10.102 3.299 1.00 0.00 H new ATOM 70 N GLU A 5 6.732 8.126 5.654 1.00 0.00 N ATOM 71 CA GLU A 5 6.951 8.540 4.329 1.00 0.00 C ATOM 72 C GLU A 5 6.117 9.730 3.886 1.00 0.00 C ATOM 73 O GLU A 5 6.687 10.752 3.509 1.00 0.00 O ATOM 74 CB GLU A 5 6.831 7.343 3.386 1.00 0.00 C ATOM 75 CG GLU A 5 7.800 6.204 3.751 1.00 0.00 C ATOM 76 CD GLU A 5 7.299 5.222 4.820 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.381 5.550 5.616 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.778 4.097 4.858 1.00 0.00 O ATOM 0 H GLU A 5 6.396 7.165 5.716 1.00 0.00 H new ATOM 0 HA GLU A 5 7.970 8.923 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.808 6.967 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.027 7.669 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.028 5.642 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.735 6.644 4.097 1.00 0.00 H new ATOM 85 N GLN A 6 4.803 9.646 4.006 1.00 0.00 N ATOM 86 CA GLN A 6 3.949 10.686 3.447 1.00 0.00 C ATOM 87 C GLN A 6 3.122 11.288 4.540 1.00 0.00 C ATOM 88 O GLN A 6 2.341 12.207 4.307 1.00 0.00 O ATOM 89 CB GLN A 6 2.976 10.094 2.427 1.00 0.00 C ATOM 90 CG GLN A 6 3.576 9.236 1.329 1.00 0.00 C ATOM 91 CD GLN A 6 4.581 9.971 0.450 1.00 0.00 C ATOM 92 OE1 GLN A 6 5.765 9.979 0.717 1.00 0.00 O ATOM 93 NE2 GLN A 6 4.110 10.584 -0.603 1.00 0.00 N ATOM 0 H GLN A 6 4.310 8.886 4.475 1.00 0.00 H new ATOM 0 HA GLN A 6 4.590 11.429 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.243 9.493 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.433 10.915 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.066 8.374 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.772 8.852 0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.110 10.560 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.742 11.086 -1.226 1.00 0.00 H new ATOM 102 N GLN A 7 3.268 10.712 5.729 1.00 0.00 N ATOM 103 CA GLN A 7 2.504 11.050 6.897 1.00 0.00 C ATOM 104 C GLN A 7 1.029 10.688 6.714 1.00 0.00 C ATOM 105 O GLN A 7 0.141 11.188 7.400 1.00 0.00 O ATOM 106 CB GLN A 7 2.744 12.481 7.345 1.00 0.00 C ATOM 107 CG GLN A 7 4.201 12.729 7.671 1.00 0.00 C ATOM 108 CD GLN A 7 4.489 14.159 8.071 1.00 0.00 C ATOM 109 OE1 GLN A 7 4.798 15.004 7.247 1.00 0.00 O ATOM 110 NE2 GLN A 7 4.388 14.443 9.345 1.00 0.00 N ATOM 0 H GLN A 7 3.949 9.972 5.898 1.00 0.00 H new ATOM 0 HA GLN A 7 2.860 10.439 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.425 13.166 6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.133 12.695 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.503 12.065 8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.809 12.472 6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.128 13.715 10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.570 15.392 9.672 1.00 0.00 H new ATOM 119 N LEU A 8 0.818 9.747 5.831 1.00 0.00 N ATOM 120 CA LEU A 8 -0.459 9.217 5.524 1.00 0.00 C ATOM 121 C LEU A 8 -0.692 8.023 6.335 1.00 0.00 C ATOM 122 O LEU A 8 0.234 7.367 6.803 1.00 0.00 O ATOM 123 CB LEU A 8 -0.551 8.865 4.045 1.00 0.00 C ATOM 124 CG LEU A 8 -0.722 10.041 3.115 1.00 0.00 C ATOM 125 CD1 LEU A 8 -0.424 9.645 1.668 1.00 0.00 C ATOM 126 CD2 LEU A 8 -2.137 10.593 3.221 1.00 0.00 C ATOM 0 H LEU A 8 1.571 9.320 5.291 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.218 9.967 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.352 8.325 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.389 8.184 3.901 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.012 10.813 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.555 10.511 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.603 9.287 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.107 8.854 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.248 11.441 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.852 9.816 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.325 10.917 4.244 1.00 0.00 H new ATOM 138 N GLU A 9 -1.900 7.750 6.500 1.00 0.00 N ATOM 139 CA GLU A 9 -2.311 6.587 7.211 1.00 0.00 C ATOM 140 C GLU A 9 -2.298 5.464 6.203 1.00 0.00 C ATOM 141 O GLU A 9 -2.358 5.714 5.000 1.00 0.00 O ATOM 142 CB GLU A 9 -3.705 6.784 7.745 1.00 0.00 C ATOM 143 CG GLU A 9 -4.199 5.738 8.728 1.00 0.00 C ATOM 144 CD GLU A 9 -5.649 5.956 9.043 1.00 0.00 C ATOM 145 OE1 GLU A 9 -5.965 6.720 9.978 1.00 0.00 O ATOM 146 OE2 GLU A 9 -6.499 5.446 8.301 1.00 0.00 O ATOM 0 H GLU A 9 -2.667 8.323 6.148 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.657 6.375 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.752 7.759 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.394 6.814 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.058 4.742 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.611 5.785 9.644 1.00 0.00 H new ATOM 153 N SER A 10 -2.165 4.294 6.656 1.00 0.00 N ATOM 154 CA SER A 10 -2.144 3.160 5.841 1.00 0.00 C ATOM 155 C SER A 10 -3.553 2.652 5.568 1.00 0.00 C ATOM 156 O SER A 10 -4.464 2.901 6.349 1.00 0.00 O ATOM 157 CB SER A 10 -1.403 2.166 6.626 1.00 0.00 C ATOM 158 OG SER A 10 -2.051 1.949 7.881 1.00 0.00 O ATOM 0 H SER A 10 -2.063 4.088 7.650 1.00 0.00 H new ATOM 0 HA SER A 10 -1.694 3.366 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.340 1.228 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.381 2.509 6.790 1.00 0.00 H new ATOM 0 HG SER A 10 -1.550 1.283 8.397 1.00 0.00 H new ATOM 164 N CYS A 11 -3.721 1.929 4.502 1.00 0.00 N ATOM 165 CA CYS A 11 -4.998 1.329 4.201 1.00 0.00 C ATOM 166 C CYS A 11 -4.749 0.153 3.284 1.00 0.00 C ATOM 167 O CYS A 11 -3.642 0.003 2.767 1.00 0.00 O ATOM 168 CB CYS A 11 -5.981 2.339 3.543 1.00 0.00 C ATOM 169 SG CYS A 11 -5.613 2.759 1.823 1.00 0.00 S ATOM 0 H CYS A 11 -2.989 1.736 3.819 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.470 1.004 5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.989 1.926 3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.983 3.256 4.132 1.00 0.00 H new ATOM 174 N ALA A 12 -5.734 -0.680 3.102 1.00 0.00 N ATOM 175 CA ALA A 12 -5.616 -1.800 2.215 1.00 0.00 C ATOM 176 C ALA A 12 -6.671 -1.667 1.152 1.00 0.00 C ATOM 177 O ALA A 12 -7.845 -1.434 1.469 1.00 0.00 O ATOM 178 CB ALA A 12 -5.778 -3.110 2.975 1.00 0.00 C ATOM 0 H ALA A 12 -6.640 -0.601 3.564 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.626 -1.811 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.685 -3.946 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.005 -3.185 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.760 -3.138 3.447 1.00 0.00 H new ATOM 184 N CYS A 13 -6.261 -1.740 -0.090 1.00 0.00 N ATOM 185 CA CYS A 13 -7.163 -1.644 -1.191 1.00 0.00 C ATOM 186 C CYS A 13 -8.089 -2.838 -1.211 1.00 0.00 C ATOM 187 O CYS A 13 -7.657 -3.957 -1.042 1.00 0.00 O ATOM 188 CB CYS A 13 -6.370 -1.488 -2.487 1.00 0.00 C ATOM 189 SG CYS A 13 -5.368 0.083 -2.563 1.00 0.00 S ATOM 0 H CYS A 13 -5.285 -1.868 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.793 -0.761 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.701 -2.342 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.060 -1.510 -3.331 1.00 0.00 H new ATOM 194 N ASN A 14 -9.381 -2.559 -1.387 1.00 0.00 N ATOM 195 CA ASN A 14 -10.461 -3.574 -1.365 1.00 0.00 C ATOM 196 C ASN A 14 -10.196 -4.670 -2.402 1.00 0.00 C ATOM 197 O ASN A 14 -10.642 -5.803 -2.250 1.00 0.00 O ATOM 198 CB ASN A 14 -11.813 -2.873 -1.660 1.00 0.00 C ATOM 199 CG ASN A 14 -13.103 -3.686 -1.346 1.00 0.00 C ATOM 200 OD1 ASN A 14 -14.121 -3.102 -1.018 1.00 0.00 O ATOM 201 ND2 ASN A 14 -13.083 -4.993 -1.449 1.00 0.00 N ATOM 0 H ASN A 14 -9.722 -1.612 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 14 -10.494 -4.044 -0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.847 -1.945 -1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.831 -2.599 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.926 -5.533 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.224 -5.470 -1.724 1.00 0.00 H new ATOM 208 N GLU A 15 -9.478 -4.326 -3.441 1.00 0.00 N ATOM 209 CA GLU A 15 -9.157 -5.252 -4.451 1.00 0.00 C ATOM 210 C GLU A 15 -7.969 -6.104 -3.951 1.00 0.00 C ATOM 211 O GLU A 15 -7.055 -5.577 -3.293 1.00 0.00 O ATOM 212 CB GLU A 15 -8.872 -4.515 -5.783 1.00 0.00 C ATOM 213 CG GLU A 15 -8.853 -5.376 -7.056 1.00 0.00 C ATOM 214 CD GLU A 15 -7.729 -6.365 -7.062 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.569 -5.926 -6.950 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.995 -7.568 -7.086 1.00 0.00 O ATOM 0 H GLU A 15 -9.107 -3.388 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.991 -5.922 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.625 -3.737 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.908 -4.015 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.801 -5.907 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.767 -4.728 -7.928 1.00 0.00 H new ATOM 223 N THR A 16 -8.003 -7.371 -4.293 1.00 0.00 N ATOM 224 CA THR A 16 -7.064 -8.388 -3.873 1.00 0.00 C ATOM 225 C THR A 16 -5.612 -7.987 -4.017 1.00 0.00 C ATOM 226 O THR A 16 -4.922 -7.777 -3.007 1.00 0.00 O ATOM 227 CB THR A 16 -7.308 -9.682 -4.671 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.663 -10.133 -4.486 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.317 -10.778 -4.291 1.00 0.00 C ATOM 0 H THR A 16 -8.728 -7.742 -4.907 1.00 0.00 H new ATOM 0 HA THR A 16 -7.243 -8.538 -2.808 1.00 0.00 H new ATOM 0 HB THR A 16 -7.151 -9.457 -5.726 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.807 -10.955 -4.999 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.523 -11.674 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.302 -10.437 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.417 -11.007 -3.230 1.00 0.00 H new ATOM 237 N ASP A 17 -5.163 -7.833 -5.222 1.00 0.00 N ATOM 238 CA ASP A 17 -3.766 -7.609 -5.441 1.00 0.00 C ATOM 239 C ASP A 17 -3.413 -6.182 -5.213 1.00 0.00 C ATOM 240 O ASP A 17 -2.248 -5.840 -4.966 1.00 0.00 O ATOM 241 CB ASP A 17 -3.315 -8.053 -6.795 1.00 0.00 C ATOM 242 CG ASP A 17 -3.177 -9.584 -6.923 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.463 -10.216 -6.081 1.00 0.00 O ATOM 244 OD2 ASP A 17 -3.751 -10.178 -7.846 1.00 0.00 O ATOM 0 H ASP A 17 -5.737 -7.858 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.236 -8.223 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.025 -7.696 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.355 -7.589 -7.020 1.00 0.00 H new ATOM 249 N ASN A 18 -4.418 -5.320 -5.257 1.00 0.00 N ATOM 250 CA ASN A 18 -4.222 -3.936 -4.943 1.00 0.00 C ATOM 251 C ASN A 18 -3.840 -3.748 -3.514 1.00 0.00 C ATOM 252 O ASN A 18 -3.329 -2.696 -3.154 1.00 0.00 O ATOM 253 CB ASN A 18 -5.409 -3.073 -5.296 1.00 0.00 C ATOM 254 CG ASN A 18 -5.439 -2.623 -6.754 1.00 0.00 C ATOM 255 OD1 ASN A 18 -4.989 -1.525 -7.068 1.00 0.00 O ATOM 256 ND2 ASN A 18 -5.896 -3.458 -7.643 1.00 0.00 N ATOM 0 H ASN A 18 -5.375 -5.567 -5.509 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.395 -3.603 -5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.324 -3.625 -5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.408 -2.192 -4.655 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.886 -3.206 -8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.264 -4.363 -7.351 1.00 0.00 H new ATOM 263 N SER A 19 -4.067 -4.757 -2.707 1.00 0.00 N ATOM 264 CA SER A 19 -3.628 -4.718 -1.315 1.00 0.00 C ATOM 265 C SER A 19 -2.100 -4.817 -1.229 1.00 0.00 C ATOM 266 O SER A 19 -1.493 -4.368 -0.270 1.00 0.00 O ATOM 267 CB SER A 19 -4.283 -5.838 -0.480 1.00 0.00 C ATOM 268 OG SER A 19 -5.653 -5.597 -0.269 1.00 0.00 O ATOM 0 H SER A 19 -4.549 -5.614 -2.979 1.00 0.00 H new ATOM 0 HA SER A 19 -3.945 -3.762 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.156 -6.793 -0.989 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.776 -5.919 0.481 1.00 0.00 H new ATOM 0 HG SER A 19 -5.940 -4.838 -0.818 1.00 0.00 H new ATOM 274 N CYS A 20 -1.488 -5.337 -2.277 1.00 0.00 N ATOM 275 CA CYS A 20 -0.072 -5.601 -2.262 1.00 0.00 C ATOM 276 C CYS A 20 0.791 -4.482 -2.765 1.00 0.00 C ATOM 277 O CYS A 20 2.001 -4.623 -2.861 1.00 0.00 O ATOM 278 CB CYS A 20 0.217 -6.904 -2.921 1.00 0.00 C ATOM 279 SG CYS A 20 -0.534 -8.256 -1.994 1.00 0.00 S ATOM 0 H CYS A 20 -1.956 -5.583 -3.149 1.00 0.00 H new ATOM 0 HA CYS A 20 0.212 -5.673 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.167 -6.896 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.295 -7.054 -2.987 1.00 0.00 H new ATOM 284 N LYS A 21 0.201 -3.393 -3.112 1.00 0.00 N ATOM 285 CA LYS A 21 0.940 -2.217 -3.333 1.00 0.00 C ATOM 286 C LYS A 21 0.373 -1.194 -2.458 1.00 0.00 C ATOM 287 O LYS A 21 -0.844 -1.116 -2.285 1.00 0.00 O ATOM 288 CB LYS A 21 1.017 -1.831 -4.805 1.00 0.00 C ATOM 289 CG LYS A 21 -0.063 -0.894 -5.316 1.00 0.00 C ATOM 290 CD LYS A 21 -1.369 -1.606 -5.544 1.00 0.00 C ATOM 291 CE LYS A 21 -2.501 -0.619 -5.562 1.00 0.00 C ATOM 292 NZ LYS A 21 -2.700 -0.036 -4.215 1.00 0.00 N ATOM 0 H LYS A 21 -0.806 -3.300 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 21 1.990 -2.360 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.986 -1.366 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.986 -2.744 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.211 -0.087 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.267 -0.435 -6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.335 -2.149 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.532 -2.343 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.290 0.173 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.416 -1.112 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.708 0.181 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.389 -0.717 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.143 0.838 -4.129 1.00 0.00 H new ATOM 306 N VAL A 22 1.260 -0.446 -1.922 1.00 0.00 N ATOM 307 CA VAL A 22 1.030 0.467 -0.864 1.00 0.00 C ATOM 308 C VAL A 22 -0.147 1.355 -1.093 1.00 0.00 C ATOM 309 O VAL A 22 -0.208 2.116 -2.048 1.00 0.00 O ATOM 310 CB VAL A 22 2.304 1.265 -0.574 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.069 2.258 0.543 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.440 0.283 -0.224 1.00 0.00 C ATOM 0 H VAL A 22 2.232 -0.454 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 22 0.775 -0.119 0.019 1.00 0.00 H new ATOM 0 HB VAL A 22 2.589 1.836 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.986 2.815 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.278 2.950 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.773 1.726 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.352 0.842 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.161 -0.298 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.611 -0.390 -1.064 1.00 0.00 H new ATOM 322 N CYS A 23 -1.118 1.127 -0.304 1.00 0.00 N ATOM 323 CA CYS A 23 -2.271 1.982 -0.262 1.00 0.00 C ATOM 324 C CYS A 23 -2.189 2.862 0.995 1.00 0.00 C ATOM 325 O CYS A 23 -1.739 2.409 2.054 1.00 0.00 O ATOM 326 CB CYS A 23 -3.582 1.195 -0.245 1.00 0.00 C ATOM 327 SG CYS A 23 -3.703 -0.238 -1.406 1.00 0.00 S ATOM 0 H CYS A 23 -1.153 0.340 0.344 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.270 2.590 -1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.745 0.827 0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.396 1.884 -0.469 1.00 0.00 H new ATOM 332 N CYS A 24 -2.666 4.075 0.883 1.00 0.00 N ATOM 333 CA CYS A 24 -2.606 5.052 1.938 1.00 0.00 C ATOM 334 C CYS A 24 -3.989 5.640 2.086 1.00 0.00 C ATOM 335 O CYS A 24 -4.772 5.618 1.133 1.00 0.00 O ATOM 336 CB CYS A 24 -1.598 6.153 1.612 1.00 0.00 C ATOM 337 SG CYS A 24 0.138 5.607 1.408 1.00 0.00 S ATOM 0 H CYS A 24 -3.118 4.418 0.035 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.280 4.581 2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.914 6.649 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.634 6.899 2.406 1.00 0.00 H new ATOM 342 N ARG A 25 -4.295 6.181 3.226 1.00 0.00 N ATOM 343 CA ARG A 25 -5.624 6.581 3.498 1.00 0.00 C ATOM 344 C ARG A 25 -5.682 8.083 3.468 1.00 0.00 C ATOM 345 O ARG A 25 -4.884 8.763 4.119 1.00 0.00 O ATOM 346 CB ARG A 25 -6.055 5.979 4.837 1.00 0.00 C ATOM 347 CG ARG A 25 -7.554 5.836 5.033 1.00 0.00 C ATOM 348 CD ARG A 25 -8.188 7.086 5.609 1.00 0.00 C ATOM 349 NE ARG A 25 -7.722 7.366 6.972 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.881 8.511 7.645 1.00 0.00 C ATOM 351 NH1 ARG A 25 -8.376 9.595 7.034 1.00 0.00 N ATOM 352 NH2 ARG A 25 -7.478 8.589 8.910 1.00 0.00 N ATOM 0 H ARG A 25 -3.631 6.352 3.981 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.325 6.216 2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.597 4.995 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.658 6.600 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.021 5.604 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.751 4.994 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.959 7.936 4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.272 6.973 5.614 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.229 6.614 7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.635 9.551 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.494 10.464 7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.051 7.779 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.596 9.459 9.430 1.00 0.00 H new ATOM 366 N ASP A 26 -6.599 8.582 2.701 1.00 0.00 N ATOM 367 CA ASP A 26 -6.738 9.952 2.443 1.00 0.00 C ATOM 368 C ASP A 26 -7.570 10.609 3.523 1.00 0.00 C ATOM 369 O ASP A 26 -8.241 9.954 4.325 1.00 0.00 O ATOM 370 CB ASP A 26 -7.344 10.178 1.024 1.00 0.00 C ATOM 371 CG ASP A 26 -8.748 10.763 1.032 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.722 10.027 1.193 1.00 0.00 O ATOM 373 OD2 ASP A 26 -8.892 11.985 0.894 1.00 0.00 O ATOM 0 H ASP A 26 -7.294 8.008 2.224 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.754 10.420 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.688 10.844 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.362 9.226 0.493 1.00 0.00 H new ATOM 378 N LEU A 27 -7.521 11.875 3.495 1.00 0.00 N ATOM 379 CA LEU A 27 -8.135 12.776 4.432 1.00 0.00 C ATOM 380 C LEU A 27 -9.647 12.597 4.520 1.00 0.00 C ATOM 381 O LEU A 27 -10.221 12.722 5.591 1.00 0.00 O ATOM 382 CB LEU A 27 -7.815 14.242 4.093 1.00 0.00 C ATOM 383 CG LEU A 27 -6.372 14.557 3.672 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.207 14.447 2.154 1.00 0.00 C ATOM 385 CD2 LEU A 27 -5.941 15.923 4.177 1.00 0.00 C ATOM 0 H LEU A 27 -7.013 12.371 2.763 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.710 12.527 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.480 14.558 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.056 14.852 4.964 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.719 13.815 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.176 14.675 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.451 13.434 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.876 15.154 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.915 16.120 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.599 16.688 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.999 15.943 5.265 1.00 0.00 H new ATOM 397 N SER A 28 -10.267 12.254 3.409 1.00 0.00 N ATOM 398 CA SER A 28 -11.685 12.102 3.336 1.00 0.00 C ATOM 399 C SER A 28 -12.077 10.704 3.791 1.00 0.00 C ATOM 400 O SER A 28 -13.247 10.341 3.820 1.00 0.00 O ATOM 401 CB SER A 28 -12.141 12.368 1.918 1.00 0.00 C ATOM 402 OG SER A 28 -11.708 13.655 1.495 1.00 0.00 O ATOM 0 H SER A 28 -9.785 12.074 2.528 1.00 0.00 H new ATOM 0 HA SER A 28 -12.173 12.818 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.741 11.604 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.228 12.305 1.860 1.00 0.00 H new ATOM 0 HG SER A 28 -12.007 13.815 0.576 1.00 0.00 H new ATOM 408 N GLY A 29 -11.070 9.931 4.123 1.00 0.00 N ATOM 409 CA GLY A 29 -11.262 8.652 4.655 1.00 0.00 C ATOM 410 C GLY A 29 -11.278 7.547 3.625 1.00 0.00 C ATOM 411 O GLY A 29 -11.624 6.412 3.932 1.00 0.00 O ATOM 0 H GLY A 29 -10.091 10.199 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.471 8.449 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.204 8.636 5.202 1.00 0.00 H new ATOM 415 N ARG A 30 -10.883 7.855 2.423 1.00 0.00 N ATOM 416 CA ARG A 30 -10.863 6.881 1.369 1.00 0.00 C ATOM 417 C ARG A 30 -9.513 6.193 1.335 1.00 0.00 C ATOM 418 O ARG A 30 -8.508 6.739 1.809 1.00 0.00 O ATOM 419 CB ARG A 30 -11.119 7.577 0.048 1.00 0.00 C ATOM 420 CG ARG A 30 -12.439 8.316 0.010 1.00 0.00 C ATOM 421 CD ARG A 30 -12.451 9.345 -1.092 1.00 0.00 C ATOM 422 NE ARG A 30 -11.456 10.407 -0.854 1.00 0.00 N ATOM 423 CZ ARG A 30 -11.344 11.546 -1.553 1.00 0.00 C ATOM 424 NH1 ARG A 30 -12.129 11.769 -2.611 1.00 0.00 N ATOM 425 NH2 ARG A 30 -10.449 12.459 -1.190 1.00 0.00 N ATOM 0 H ARG A 30 -10.567 8.784 2.146 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.637 6.133 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.310 8.281 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.100 6.839 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.253 7.607 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.615 8.803 0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.245 8.860 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.445 9.787 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.795 10.263 -0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.818 11.071 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.039 12.637 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.850 12.292 -0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.362 13.326 -1.720 1.00 0.00 H new ATOM 439 N CYS A 31 -9.493 5.009 0.809 1.00 0.00 N ATOM 440 CA CYS A 31 -8.273 4.276 0.644 1.00 0.00 C ATOM 441 C CYS A 31 -7.812 4.498 -0.774 1.00 0.00 C ATOM 442 O CYS A 31 -8.605 4.353 -1.710 1.00 0.00 O ATOM 443 CB CYS A 31 -8.505 2.787 0.908 1.00 0.00 C ATOM 444 SG CYS A 31 -7.014 1.757 0.755 1.00 0.00 S ATOM 0 H CYS A 31 -10.325 4.519 0.480 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.517 4.617 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.913 2.667 1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.259 2.420 0.211 1.00 0.00 H new ATOM 449 N VAL A 32 -6.570 4.865 -0.945 1.00 0.00 N ATOM 450 CA VAL A 32 -6.058 5.195 -2.215 1.00 0.00 C ATOM 451 C VAL A 32 -4.705 4.493 -2.363 1.00 0.00 C ATOM 452 O VAL A 32 -4.166 4.028 -1.382 1.00 0.00 O ATOM 453 CB VAL A 32 -5.892 6.760 -2.428 1.00 0.00 C ATOM 454 CG1 VAL A 32 -7.096 7.573 -1.955 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.584 7.288 -1.852 1.00 0.00 C ATOM 0 H VAL A 32 -5.891 4.939 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.765 4.863 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.847 6.900 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.912 8.633 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.984 7.262 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.253 7.405 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.518 8.362 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.551 7.089 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.745 6.791 -2.339 1.00 0.00 H new ATOM 465 N PRO A 33 -4.148 4.393 -3.556 1.00 0.00 N ATOM 466 CA PRO A 33 -2.842 3.806 -3.747 1.00 0.00 C ATOM 467 C PRO A 33 -1.757 4.869 -3.608 1.00 0.00 C ATOM 468 O PRO A 33 -1.931 5.992 -4.091 1.00 0.00 O ATOM 469 CB PRO A 33 -2.898 3.298 -5.198 1.00 0.00 C ATOM 470 CG PRO A 33 -4.037 4.032 -5.862 1.00 0.00 C ATOM 471 CD PRO A 33 -4.709 4.883 -4.810 1.00 0.00 C ATOM 0 HA PRO A 33 -2.611 3.026 -3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.958 3.492 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.061 2.221 -5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.668 4.653 -6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.747 3.326 -6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.497 5.942 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.793 4.769 -4.835 1.00 0.00 H new ATOM 479 N TYR A 34 -0.667 4.565 -2.931 1.00 0.00 N ATOM 480 CA TYR A 34 0.381 5.535 -2.879 1.00 0.00 C ATOM 481 C TYR A 34 1.161 5.634 -4.145 1.00 0.00 C ATOM 482 O TYR A 34 1.748 4.664 -4.641 1.00 0.00 O ATOM 483 CB TYR A 34 1.283 5.452 -1.641 1.00 0.00 C ATOM 484 CG TYR A 34 2.705 6.024 -1.815 1.00 0.00 C ATOM 485 CD1 TYR A 34 2.946 7.343 -2.230 1.00 0.00 C ATOM 486 CD2 TYR A 34 3.806 5.217 -1.607 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.205 7.789 -2.434 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.087 5.699 -1.802 1.00 0.00 C ATOM 489 CZ TYR A 34 5.275 6.979 -2.222 1.00 0.00 C ATOM 490 OH TYR A 34 6.548 7.455 -2.447 1.00 0.00 O ATOM 0 H TYR A 34 -0.497 3.691 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.154 6.478 -2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.795 5.981 -0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.365 4.407 -1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.113 8.011 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.664 4.195 -1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.363 8.803 -2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.938 5.059 -1.621 1.00 0.00 H new ATOM 0 HH TYR A 34 6.497 8.329 -2.888 1.00 0.00 H new ATOM 500 N VAL A 35 1.088 6.810 -4.657 1.00 0.00 N ATOM 501 CA VAL A 35 1.864 7.305 -5.676 1.00 0.00 C ATOM 502 C VAL A 35 1.941 8.716 -5.289 1.00 0.00 C ATOM 503 O VAL A 35 0.922 9.299 -4.885 1.00 0.00 O ATOM 504 CB VAL A 35 1.213 7.352 -7.051 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.204 7.005 -8.110 1.00 0.00 C ATOM 506 CG2 VAL A 35 -0.095 6.590 -7.151 1.00 0.00 C ATOM 0 H VAL A 35 0.410 7.495 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 35 2.764 6.698 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 35 0.903 8.383 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.721 7.044 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.028 7.717 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.587 6.000 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.490 6.676 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.077 5.539 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.813 7.006 -6.445 1.00 0.00 H new ATOM 516 N ASP A 36 3.058 9.244 -5.297 1.00 0.00 N ATOM 517 CA ASP A 36 3.191 10.620 -5.076 1.00 0.00 C ATOM 518 C ASP A 36 3.175 11.319 -6.319 1.00 0.00 C ATOM 519 O ASP A 36 2.853 10.746 -7.365 1.00 0.00 O ATOM 520 CB ASP A 36 4.314 10.965 -4.129 1.00 0.00 C ATOM 521 CG ASP A 36 5.653 10.385 -4.502 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.002 10.313 -5.713 1.00 0.00 O ATOM 523 OD2 ASP A 36 6.394 9.965 -3.581 1.00 0.00 O ATOM 0 H ASP A 36 3.934 8.746 -5.457 1.00 0.00 H new ATOM 0 HA ASP A 36 2.321 10.980 -4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.405 12.050 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.048 10.618 -3.130 1.00 0.00 H new ATOM 528 N ALA A 37 3.462 12.526 -6.252 1.00 0.00 N ATOM 529 CA ALA A 37 3.199 13.356 -7.317 1.00 0.00 C ATOM 530 C ALA A 37 4.240 13.179 -8.407 1.00 0.00 C ATOM 531 O ALA A 37 4.034 13.513 -9.577 1.00 0.00 O ATOM 532 CB ALA A 37 3.081 14.721 -6.789 1.00 0.00 C ATOM 0 H ALA A 37 3.893 12.978 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 37 2.258 13.108 -7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.872 15.411 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.269 14.761 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.015 15.006 -6.304 1.00 0.00 H new ATOM 538 N GLU A 38 5.338 12.615 -7.990 1.00 0.00 N ATOM 539 CA GLU A 38 6.387 12.244 -8.784 1.00 0.00 C ATOM 540 C GLU A 38 6.156 10.826 -9.318 1.00 0.00 C ATOM 541 O GLU A 38 7.018 10.277 -10.010 1.00 0.00 O ATOM 542 CB GLU A 38 7.642 12.283 -7.962 1.00 0.00 C ATOM 543 CG GLU A 38 7.900 13.611 -7.262 1.00 0.00 C ATOM 544 CD GLU A 38 7.426 13.600 -5.822 1.00 0.00 C ATOM 545 OE1 GLU A 38 6.203 13.608 -5.579 1.00 0.00 O ATOM 546 OE2 GLU A 38 8.292 13.482 -4.926 1.00 0.00 O ATOM 0 H GLU A 38 5.497 12.403 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 38 6.476 12.925 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.593 11.495 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.491 12.056 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.967 13.833 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.393 14.410 -7.804 1.00 0.00 H new ATOM 553 N GLN A 39 4.988 10.221 -8.947 1.00 0.00 N ATOM 554 CA GLN A 39 4.555 8.970 -9.401 1.00 0.00 C ATOM 555 C GLN A 39 5.414 7.820 -8.888 1.00 0.00 C ATOM 556 O GLN A 39 5.566 6.788 -9.561 1.00 0.00 O ATOM 557 CB GLN A 39 4.431 9.021 -10.882 1.00 0.00 C ATOM 558 CG GLN A 39 3.275 9.887 -11.339 1.00 0.00 C ATOM 559 CD GLN A 39 3.240 10.082 -12.836 1.00 0.00 C ATOM 560 OE1 GLN A 39 2.631 9.313 -13.562 1.00 0.00 O ATOM 561 NE2 GLN A 39 3.886 11.120 -13.304 1.00 0.00 N ATOM 0 H GLN A 39 4.334 10.654 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 39 3.572 8.754 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.358 9.404 -11.308 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.298 8.010 -11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.338 9.433 -11.015 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.343 10.860 -10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.384 11.741 -12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.891 11.308 -14.307 1.00 0.00 H new ATOM 570 N LYS A 40 5.934 7.960 -7.664 1.00 0.00 N ATOM 571 CA LYS A 40 6.638 6.870 -7.061 1.00 0.00 C ATOM 572 C LYS A 40 5.640 5.901 -6.558 1.00 0.00 C ATOM 573 O LYS A 40 4.648 6.281 -5.955 1.00 0.00 O ATOM 574 CB LYS A 40 7.461 7.293 -5.900 1.00 0.00 C ATOM 575 CG LYS A 40 8.482 8.327 -6.201 1.00 0.00 C ATOM 576 CD LYS A 40 9.326 8.617 -4.970 1.00 0.00 C ATOM 577 CE LYS A 40 9.729 10.075 -4.907 1.00 0.00 C ATOM 578 NZ LYS A 40 8.546 10.926 -4.726 1.00 0.00 N ATOM 0 H LYS A 40 5.873 8.806 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 40 7.299 6.447 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.798 7.673 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.963 6.416 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.122 7.988 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.994 9.241 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.766 8.354 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.219 7.992 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.426 10.231 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.249 10.355 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.842 11.920 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.910 10.815 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.047 10.647 -3.857 1.00 0.00 H new ATOM 592 N ASN A 41 5.911 4.687 -6.776 1.00 0.00 N ATOM 593 CA ASN A 41 5.020 3.631 -6.416 1.00 0.00 C ATOM 594 C ASN A 41 5.746 2.640 -5.549 1.00 0.00 C ATOM 595 O ASN A 41 6.966 2.479 -5.677 1.00 0.00 O ATOM 596 CB ASN A 41 4.565 2.910 -7.668 1.00 0.00 C ATOM 597 CG ASN A 41 3.436 3.577 -8.429 1.00 0.00 C ATOM 598 OD1 ASN A 41 2.268 3.300 -8.187 1.00 0.00 O ATOM 599 ND2 ASN A 41 3.763 4.446 -9.359 1.00 0.00 N ATOM 0 H ASN A 41 6.774 4.371 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 41 4.166 4.050 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.419 2.805 -8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.250 1.903 -7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.035 4.910 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.745 4.656 -9.538 1.00 0.00 H new ATOM 606 N LEU A 42 5.023 1.961 -4.696 1.00 0.00 N ATOM 607 CA LEU A 42 5.611 0.941 -3.854 1.00 0.00 C ATOM 608 C LEU A 42 4.748 -0.286 -3.815 1.00 0.00 C ATOM 609 O LEU A 42 3.560 -0.208 -3.489 1.00 0.00 O ATOM 610 CB LEU A 42 5.707 1.374 -2.411 1.00 0.00 C ATOM 611 CG LEU A 42 6.526 2.562 -2.019 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.307 2.778 -0.527 1.00 0.00 C ATOM 613 CD2 LEU A 42 8.003 2.327 -2.312 1.00 0.00 C ATOM 0 H LEU A 42 4.021 2.094 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 42 6.595 0.755 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.690 1.558 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.087 0.523 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 42 6.224 3.440 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.888 3.639 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.249 2.959 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.627 1.891 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.577 3.206 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.352 1.461 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.138 2.146 -3.378 1.00 0.00 H new ATOM 625 N PHE A 43 5.302 -1.394 -4.171 1.00 0.00 N ATOM 626 CA PHE A 43 4.716 -2.623 -3.892 1.00 0.00 C ATOM 627 C PHE A 43 5.084 -2.974 -2.431 1.00 0.00 C ATOM 628 O PHE A 43 6.147 -2.546 -1.950 1.00 0.00 O ATOM 629 CB PHE A 43 5.223 -3.647 -4.905 1.00 0.00 C ATOM 630 CG PHE A 43 6.689 -4.010 -4.816 1.00 0.00 C ATOM 631 CD1 PHE A 43 7.655 -3.211 -5.414 1.00 0.00 C ATOM 632 CD2 PHE A 43 7.096 -5.149 -4.152 1.00 0.00 C ATOM 633 CE1 PHE A 43 8.992 -3.544 -5.345 1.00 0.00 C ATOM 634 CE2 PHE A 43 8.428 -5.488 -4.081 1.00 0.00 C ATOM 635 CZ PHE A 43 9.378 -4.686 -4.677 1.00 0.00 C ATOM 0 H PHE A 43 6.189 -1.453 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 43 3.630 -2.609 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.637 -4.559 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.026 -3.264 -5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.355 -2.317 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.359 -5.783 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.733 -2.912 -5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.729 -6.383 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.423 -4.952 -4.620 1.00 0.00 H new ATOM 645 N LEU A 44 4.212 -3.672 -1.728 1.00 0.00 N ATOM 646 CA LEU A 44 4.410 -4.061 -0.359 1.00 0.00 C ATOM 647 C LEU A 44 5.637 -4.965 -0.157 1.00 0.00 C ATOM 648 O LEU A 44 6.440 -5.204 -1.058 1.00 0.00 O ATOM 649 CB LEU A 44 3.169 -4.787 0.216 1.00 0.00 C ATOM 650 CG LEU A 44 2.266 -3.989 1.169 1.00 0.00 C ATOM 651 CD1 LEU A 44 1.597 -2.834 0.472 1.00 0.00 C ATOM 652 CD2 LEU A 44 1.234 -4.894 1.816 1.00 0.00 C ATOM 0 H LEU A 44 3.322 -3.990 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 44 4.578 -3.126 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.559 -5.127 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.513 -5.677 0.743 1.00 0.00 H new ATOM 0 HG LEU A 44 2.904 -3.574 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.968 -2.296 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.356 -2.159 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.982 -3.209 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.606 -4.308 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.614 -5.350 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.740 -5.675 2.383 1.00 0.00 H new ATOM 664 N ARG A 45 5.808 -5.406 1.046 1.00 0.00 N ATOM 665 CA ARG A 45 6.818 -6.330 1.379 1.00 0.00 C ATOM 666 C ARG A 45 6.190 -7.717 1.504 1.00 0.00 C ATOM 667 O ARG A 45 4.966 -7.831 1.604 1.00 0.00 O ATOM 668 CB ARG A 45 7.428 -5.936 2.690 1.00 0.00 C ATOM 669 CG ARG A 45 8.172 -4.587 2.737 1.00 0.00 C ATOM 670 CD ARG A 45 9.304 -4.452 1.702 1.00 0.00 C ATOM 671 NE ARG A 45 8.813 -4.142 0.341 1.00 0.00 N ATOM 672 CZ ARG A 45 9.450 -3.372 -0.552 1.00 0.00 C ATOM 673 NH1 ARG A 45 10.686 -2.914 -0.299 1.00 0.00 N ATOM 674 NH2 ARG A 45 8.855 -3.059 -1.692 1.00 0.00 N ATOM 0 H ARG A 45 5.230 -5.121 1.837 1.00 0.00 H new ATOM 0 HA ARG A 45 7.589 -6.342 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.636 -5.913 3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.126 -6.719 2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.453 -3.783 2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.589 -4.450 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.989 -3.667 2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.874 -5.380 1.673 1.00 0.00 H new ATOM 0 HE ARG A 45 7.919 -4.546 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.148 -3.151 0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.163 -2.329 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.915 -3.404 -1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.336 -2.473 -2.374 1.00 0.00 H new ATOM 688 N LYS A 46 7.008 -8.745 1.547 1.00 0.00 N ATOM 689 CA LYS A 46 6.495 -10.109 1.644 1.00 0.00 C ATOM 690 C LYS A 46 5.935 -10.441 3.023 1.00 0.00 C ATOM 691 O LYS A 46 6.432 -9.962 4.070 1.00 0.00 O ATOM 692 CB LYS A 46 7.529 -11.180 1.218 1.00 0.00 C ATOM 693 CG LYS A 46 8.851 -11.128 1.981 1.00 0.00 C ATOM 694 CD LYS A 46 9.763 -12.367 1.762 1.00 0.00 C ATOM 695 CE LYS A 46 10.130 -12.639 0.291 1.00 0.00 C ATOM 696 NZ LYS A 46 9.142 -13.499 -0.415 1.00 0.00 N ATOM 0 H LYS A 46 8.025 -8.672 1.517 1.00 0.00 H new ATOM 0 HA LYS A 46 5.670 -10.140 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.086 -12.167 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.734 -11.065 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.396 -10.233 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.639 -11.031 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.681 -12.232 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.263 -13.247 2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.216 -11.689 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.110 -13.115 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.101 -13.229 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.430 -14.495 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.203 -13.375 0.015 1.00 0.00 H new ATOM 710 N GLY A 47 4.839 -11.163 3.002 1.00 0.00 N ATOM 711 CA GLY A 47 4.263 -11.735 4.188 1.00 0.00 C ATOM 712 C GLY A 47 3.544 -10.717 4.992 1.00 0.00 C ATOM 713 O GLY A 47 3.587 -10.728 6.219 1.00 0.00 O ATOM 0 H GLY A 47 4.319 -11.370 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.574 -12.533 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.049 -12.188 4.792 1.00 0.00 H new ATOM 717 N LYS A 48 2.978 -9.771 4.315 1.00 0.00 N ATOM 718 CA LYS A 48 2.189 -8.775 4.935 1.00 0.00 C ATOM 719 C LYS A 48 0.732 -9.127 4.688 1.00 0.00 C ATOM 720 O LYS A 48 0.405 -9.566 3.584 1.00 0.00 O ATOM 721 CB LYS A 48 2.548 -7.435 4.333 1.00 0.00 C ATOM 722 CG LYS A 48 4.014 -6.946 4.536 1.00 0.00 C ATOM 723 CD LYS A 48 4.411 -6.580 5.995 1.00 0.00 C ATOM 724 CE LYS A 48 4.658 -7.785 6.927 1.00 0.00 C ATOM 725 NZ LYS A 48 5.734 -8.700 6.436 1.00 0.00 N ATOM 0 H LYS A 48 3.056 -9.673 3.303 1.00 0.00 H new ATOM 0 HA LYS A 48 2.365 -8.721 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.349 -7.479 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.878 -6.684 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.689 -7.725 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.176 -6.072 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.314 -5.970 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.623 -5.963 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.925 -7.420 7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.731 -8.349 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.805 -9.523 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.504 -9.021 5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.642 -8.193 6.424 1.00 0.00 H new ATOM 739 N PRO A 49 -0.130 -9.017 5.732 1.00 0.00 N ATOM 740 CA PRO A 49 -1.568 -9.346 5.634 1.00 0.00 C ATOM 741 C PRO A 49 -2.259 -8.637 4.480 1.00 0.00 C ATOM 742 O PRO A 49 -2.098 -7.431 4.285 1.00 0.00 O ATOM 743 CB PRO A 49 -2.138 -8.863 6.969 1.00 0.00 C ATOM 744 CG PRO A 49 -0.992 -8.927 7.906 1.00 0.00 C ATOM 745 CD PRO A 49 0.221 -8.566 7.096 1.00 0.00 C ATOM 0 HA PRO A 49 -1.722 -10.408 5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.530 -7.849 6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.959 -9.497 7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.127 -8.235 8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.893 -9.924 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.420 -7.495 7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.115 -9.067 7.467 1.00 0.00 H new ATOM 753 N CYS A 50 -3.011 -9.387 3.740 1.00 0.00 N ATOM 754 CA CYS A 50 -3.688 -8.919 2.595 1.00 0.00 C ATOM 755 C CYS A 50 -5.053 -9.623 2.490 1.00 0.00 C ATOM 756 O CYS A 50 -5.415 -10.386 3.381 1.00 0.00 O ATOM 757 CB CYS A 50 -2.753 -9.120 1.379 1.00 0.00 C ATOM 758 SG CYS A 50 -3.481 -9.129 -0.274 1.00 0.00 S ATOM 0 H CYS A 50 -3.170 -10.376 3.932 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.917 -7.854 2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.000 -8.332 1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.229 -10.066 1.516 1.00 0.00 H new ATOM 763 N THR A 51 -5.780 -9.337 1.438 1.00 0.00 N ATOM 764 CA THR A 51 -7.127 -9.814 1.182 1.00 0.00 C ATOM 765 C THR A 51 -7.266 -11.333 1.250 1.00 0.00 C ATOM 766 O THR A 51 -7.912 -11.882 2.138 1.00 0.00 O ATOM 767 CB THR A 51 -7.532 -9.362 -0.236 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.450 -9.679 -1.144 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.766 -7.887 -0.276 1.00 0.00 C ATOM 0 H THR A 51 -5.433 -8.732 0.693 1.00 0.00 H new ATOM 0 HA THR A 51 -7.767 -9.398 1.960 1.00 0.00 H new ATOM 0 HB THR A 51 -8.451 -9.874 -0.522 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.610 -9.319 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.050 -7.591 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.566 -7.627 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.853 -7.366 0.011 1.00 0.00 H new ATOM 777 N VAL A 52 -6.670 -11.973 0.293 1.00 0.00 N ATOM 778 CA VAL A 52 -6.778 -13.403 0.123 1.00 0.00 C ATOM 779 C VAL A 52 -5.705 -14.170 0.878 1.00 0.00 C ATOM 780 O VAL A 52 -5.818 -15.381 1.059 1.00 0.00 O ATOM 781 CB VAL A 52 -6.774 -13.785 -1.380 1.00 0.00 C ATOM 782 CG1 VAL A 52 -7.941 -13.106 -2.086 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.441 -13.429 -2.065 1.00 0.00 C ATOM 0 H VAL A 52 -6.084 -11.517 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.735 -13.695 0.556 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.887 -14.867 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.935 -13.377 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.878 -13.430 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.846 -12.025 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.484 -13.715 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.267 -12.356 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.627 -13.964 -1.577 1.00 0.00 H new ATOM 793 N GLY A 53 -4.701 -13.465 1.333 1.00 0.00 N ATOM 794 CA GLY A 53 -3.640 -14.087 2.019 1.00 0.00 C ATOM 795 C GLY A 53 -2.580 -13.105 2.399 1.00 0.00 C ATOM 796 O GLY A 53 -2.815 -12.192 3.217 1.00 0.00 O ATOM 0 H GLY A 53 -4.612 -12.454 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.022 -14.576 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.207 -14.866 1.391 1.00 0.00 H new ATOM 800 N PHE A 54 -1.436 -13.257 1.817 1.00 0.00 N ATOM 801 CA PHE A 54 -0.329 -12.401 2.085 1.00 0.00 C ATOM 802 C PHE A 54 0.202 -11.807 0.807 1.00 0.00 C ATOM 803 O PHE A 54 -0.101 -12.254 -0.276 1.00 0.00 O ATOM 804 CB PHE A 54 0.788 -13.148 2.836 1.00 0.00 C ATOM 805 CG PHE A 54 0.391 -13.613 4.213 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.409 -12.734 5.283 1.00 0.00 C ATOM 807 CD2 PHE A 54 0.000 -14.924 4.435 1.00 0.00 C ATOM 808 CE1 PHE A 54 0.045 -13.149 6.547 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.365 -15.347 5.699 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.344 -14.458 6.757 1.00 0.00 C ATOM 0 H PHE A 54 -1.242 -13.989 1.133 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.681 -11.593 2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.095 -14.011 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.656 -12.494 2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.712 -11.709 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.020 -15.622 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.064 -12.452 7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.666 -16.372 5.860 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.631 -14.786 7.745 1.00 0.00 H new ATOM 820 N CYS A 55 0.929 -10.764 0.945 1.00 0.00 N ATOM 821 CA CYS A 55 1.570 -10.143 -0.181 1.00 0.00 C ATOM 822 C CYS A 55 2.965 -10.616 -0.309 1.00 0.00 C ATOM 823 O CYS A 55 3.670 -10.695 0.688 1.00 0.00 O ATOM 824 CB CYS A 55 1.621 -8.665 0.024 1.00 0.00 C ATOM 825 SG CYS A 55 0.010 -7.865 -0.076 1.00 0.00 S ATOM 0 H CYS A 55 1.106 -10.305 1.839 1.00 0.00 H new ATOM 0 HA CYS A 55 1.001 -10.398 -1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.060 -8.457 1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.282 -8.226 -0.723 1.00 0.00 H new ATOM 830 N ASP A 56 3.389 -10.945 -1.495 1.00 0.00 N ATOM 831 CA ASP A 56 4.796 -11.227 -1.660 1.00 0.00 C ATOM 832 C ASP A 56 5.452 -10.092 -2.462 1.00 0.00 C ATOM 833 O ASP A 56 4.774 -9.122 -2.829 1.00 0.00 O ATOM 834 CB ASP A 56 5.084 -12.606 -2.261 1.00 0.00 C ATOM 835 CG ASP A 56 6.475 -13.075 -1.850 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.615 -13.661 -0.769 1.00 0.00 O ATOM 837 OD2 ASP A 56 7.478 -12.768 -2.543 1.00 0.00 O ATOM 0 H ASP A 56 2.814 -11.024 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 56 5.242 -11.268 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.335 -13.322 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.013 -12.560 -3.348 1.00 0.00 H new ATOM 842 N MET A 57 6.727 -10.235 -2.797 1.00 0.00 N ATOM 843 CA MET A 57 7.534 -9.166 -3.421 1.00 0.00 C ATOM 844 C MET A 57 7.184 -8.970 -4.896 1.00 0.00 C ATOM 845 O MET A 57 7.803 -8.182 -5.589 1.00 0.00 O ATOM 846 CB MET A 57 9.033 -9.478 -3.286 1.00 0.00 C ATOM 847 CG MET A 57 9.515 -9.681 -1.853 1.00 0.00 C ATOM 848 SD MET A 57 9.394 -8.209 -0.798 1.00 0.00 S ATOM 849 CE MET A 57 10.614 -7.139 -1.566 1.00 0.00 C ATOM 0 H MET A 57 7.246 -11.100 -2.647 1.00 0.00 H new ATOM 0 HA MET A 57 7.302 -8.241 -2.894 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.256 -10.377 -3.861 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.602 -8.663 -3.734 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.936 -10.485 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.554 -10.010 -1.876 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.387 -6.889 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.066 -7.653 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.131 -6.225 -1.910 1.00 0.00 H new ATOM 859 N ASN A 58 6.201 -9.699 -5.360 1.00 0.00 N ATOM 860 CA ASN A 58 5.728 -9.564 -6.730 1.00 0.00 C ATOM 861 C ASN A 58 4.610 -8.516 -6.757 1.00 0.00 C ATOM 862 O ASN A 58 4.179 -8.069 -7.807 1.00 0.00 O ATOM 863 CB ASN A 58 5.197 -10.924 -7.241 1.00 0.00 C ATOM 864 CG ASN A 58 4.857 -10.943 -8.738 1.00 0.00 C ATOM 865 OD1 ASN A 58 5.698 -11.250 -9.564 1.00 0.00 O ATOM 866 ND2 ASN A 58 3.627 -10.638 -9.089 1.00 0.00 N ATOM 0 H ASN A 58 5.704 -10.400 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 58 6.546 -9.249 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.944 -11.692 -7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.305 -11.190 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.358 -10.655 -10.073 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.942 -10.384 -8.377 1.00 0.00 H new ATOM 873 N GLY A 59 4.155 -8.124 -5.568 1.00 0.00 N ATOM 874 CA GLY A 59 3.048 -7.194 -5.466 1.00 0.00 C ATOM 875 C GLY A 59 1.756 -7.894 -5.713 1.00 0.00 C ATOM 876 O GLY A 59 0.810 -7.322 -6.217 1.00 0.00 O ATOM 0 H GLY A 59 4.536 -8.436 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.038 -6.738 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.175 -6.387 -6.188 1.00 0.00 H new ATOM 880 N LYS A 60 1.733 -9.142 -5.335 1.00 0.00 N ATOM 881 CA LYS A 60 0.557 -9.958 -5.414 1.00 0.00 C ATOM 882 C LYS A 60 0.299 -10.593 -4.132 1.00 0.00 C ATOM 883 O LYS A 60 1.219 -10.787 -3.319 1.00 0.00 O ATOM 884 CB LYS A 60 0.634 -11.056 -6.452 1.00 0.00 C ATOM 885 CG LYS A 60 0.271 -10.659 -7.863 1.00 0.00 C ATOM 886 CD LYS A 60 -0.079 -11.901 -8.704 1.00 0.00 C ATOM 887 CE LYS A 60 -1.529 -12.444 -8.453 1.00 0.00 C ATOM 888 NZ LYS A 60 -1.856 -12.741 -7.029 1.00 0.00 N ATOM 0 H LYS A 60 2.546 -9.628 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.242 -9.275 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.649 -11.453 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.025 -11.868 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.577 -9.974 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.104 -10.126 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.030 -11.656 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.639 -12.692 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.244 -11.712 -8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.666 -13.353 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.708 -13.336 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.060 -13.244 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.028 -11.851 -6.519 1.00 0.00 H new ATOM 902 N CYS A 61 -0.924 -10.893 -3.960 1.00 0.00 N ATOM 903 CA CYS A 61 -1.419 -11.573 -2.854 1.00 0.00 C ATOM 904 C CYS A 61 -1.654 -12.929 -3.409 1.00 0.00 C ATOM 905 O CYS A 61 -2.604 -13.103 -4.198 1.00 0.00 O ATOM 906 CB CYS A 61 -2.715 -10.950 -2.527 1.00 0.00 C ATOM 907 SG CYS A 61 -3.278 -11.065 -0.808 1.00 0.00 S ATOM 0 H CYS A 61 -1.648 -10.651 -4.637 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.783 -11.571 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.660 -9.895 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.477 -11.401 -3.163 1.00 0.00 H new ATOM 912 N GLU A 62 -0.804 -13.841 -3.036 1.00 0.00 N ATOM 913 CA GLU A 62 -0.656 -15.125 -3.678 1.00 0.00 C ATOM 914 C GLU A 62 -0.890 -15.053 -5.215 1.00 0.00 C ATOM 915 O GLU A 62 -0.050 -14.405 -5.923 1.00 0.00 O ATOM 916 CB GLU A 62 -1.488 -16.170 -2.958 1.00 0.00 C ATOM 917 CG GLU A 62 -0.840 -16.697 -1.665 1.00 0.00 C ATOM 918 CD GLU A 62 -0.658 -15.664 -0.557 1.00 0.00 C ATOM 919 OE1 GLU A 62 -1.583 -15.471 0.247 1.00 0.00 O ATOM 920 OE2 GLU A 62 0.423 -15.063 -0.475 1.00 0.00 O ATOM 921 OXT GLU A 62 -1.905 -15.563 -5.722 1.00 0.00 O ATOM 0 H GLU A 62 -0.169 -13.711 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 62 0.382 -15.445 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.462 -15.743 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.665 -17.008 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.450 -17.514 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.136 -17.116 -1.912 1.00 0.00 H new TER 928 GLU A 62