USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 58:sc= 1.14 USER MOD Set 1.2: A 40 LYS NZ :NH3+ -141:sc= 0.0901 (180deg=-3.92!) USER MOD Single : A 1 PHE N :NH3+ 154:sc= 1.87 (180deg=0.146) USER MOD Single : A 6 GLN : amide:sc= 1.07 K(o=1.1,f=-0.5) USER MOD Single : A 7 GLN : amide:sc= -0.678 K(o=-0.68,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.07 K(o=1.1,f=-0.19) USER MOD Single : A 19 SER OG : rot -42:sc= -1.26! USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.16! (180deg=0.364!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0812 USER MOD Single : A 39 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.66) USER MOD Single : A 41 ASN : amide:sc= -0.535! C(o=-0.54!,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 1.62 (180deg=1.55) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 2.32 (180deg=0.858) USER MOD Single : A 51 THR OG1 : rot -50:sc= -1.39! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= -2.63! (180deg=-3.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 6.720 5.028 3.697 1.00 0.00 N ATOM 2 CA PHE A 1 5.622 4.566 2.836 1.00 0.00 C ATOM 3 C PHE A 1 4.584 5.634 2.733 1.00 0.00 C ATOM 4 O PHE A 1 4.440 6.276 1.721 1.00 0.00 O ATOM 5 CB PHE A 1 4.925 3.294 3.348 1.00 0.00 C ATOM 6 CG PHE A 1 5.793 2.138 3.617 1.00 0.00 C ATOM 7 CD1 PHE A 1 6.473 2.087 4.797 1.00 0.00 C ATOM 8 CD2 PHE A 1 5.912 1.093 2.707 1.00 0.00 C ATOM 9 CE1 PHE A 1 7.287 1.014 5.100 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.723 0.012 2.994 1.00 0.00 C ATOM 11 CZ PHE A 1 7.414 -0.028 4.194 1.00 0.00 C ATOM 0 H1 PHE A 1 7.195 4.207 4.125 1.00 0.00 H new ATOM 0 H2 PHE A 1 7.404 5.566 3.128 1.00 0.00 H new ATOM 0 H3 PHE A 1 6.339 5.638 4.448 1.00 0.00 H new ATOM 0 HA PHE A 1 6.077 4.336 1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.392 3.542 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.176 2.996 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.374 2.897 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 1 5.369 1.127 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 1 7.822 0.986 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.818 -0.798 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 1 8.051 -0.870 4.424 1.00 0.00 H new ATOM 21 N CYS A 2 3.853 5.817 3.789 1.00 0.00 N ATOM 22 CA CYS A 2 2.789 6.746 3.749 1.00 0.00 C ATOM 23 C CYS A 2 3.019 7.927 4.692 1.00 0.00 C ATOM 24 O CYS A 2 2.753 9.073 4.333 1.00 0.00 O ATOM 25 CB CYS A 2 1.491 6.045 4.041 1.00 0.00 C ATOM 26 SG CYS A 2 0.062 7.043 3.687 1.00 0.00 S ATOM 0 H CYS A 2 3.979 5.335 4.679 1.00 0.00 H new ATOM 0 HA CYS A 2 2.741 7.166 2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.440 5.128 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.471 5.753 5.091 1.00 0.00 H new ATOM 31 N GLU A 3 3.569 7.632 5.860 1.00 0.00 N ATOM 32 CA GLU A 3 3.862 8.616 6.924 1.00 0.00 C ATOM 33 C GLU A 3 4.625 9.836 6.398 1.00 0.00 C ATOM 34 O GLU A 3 4.079 10.918 6.301 1.00 0.00 O ATOM 35 CB GLU A 3 4.672 7.989 8.109 1.00 0.00 C ATOM 36 CG GLU A 3 5.133 6.516 7.960 1.00 0.00 C ATOM 37 CD GLU A 3 5.858 6.212 6.662 1.00 0.00 C ATOM 38 OE1 GLU A 3 6.756 6.956 6.258 1.00 0.00 O ATOM 39 OE2 GLU A 3 5.407 5.293 5.948 1.00 0.00 O ATOM 0 H GLU A 3 3.836 6.681 6.113 1.00 0.00 H new ATOM 0 HA GLU A 3 2.887 8.938 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.557 8.603 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.062 8.061 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.789 6.268 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.261 5.866 8.035 1.00 0.00 H new ATOM 46 N ARG A 4 5.881 9.646 6.050 1.00 0.00 N ATOM 47 CA ARG A 4 6.697 10.725 5.551 1.00 0.00 C ATOM 48 C ARG A 4 6.259 11.111 4.178 1.00 0.00 C ATOM 49 O ARG A 4 6.188 12.289 3.829 1.00 0.00 O ATOM 50 CB ARG A 4 8.198 10.292 5.536 1.00 0.00 C ATOM 51 CG ARG A 4 9.271 11.331 5.044 1.00 0.00 C ATOM 52 CD ARG A 4 9.591 11.318 3.502 1.00 0.00 C ATOM 53 NE ARG A 4 8.618 12.054 2.659 1.00 0.00 N ATOM 54 CZ ARG A 4 8.507 11.986 1.300 1.00 0.00 C ATOM 55 NH1 ARG A 4 9.289 11.179 0.592 1.00 0.00 N ATOM 56 NH2 ARG A 4 7.571 12.707 0.670 1.00 0.00 N ATOM 0 H ARG A 4 6.358 8.746 6.106 1.00 0.00 H new ATOM 0 HA ARG A 4 6.583 11.587 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.467 9.991 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.282 9.405 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.931 12.330 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.198 11.151 5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.581 11.746 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.634 10.283 3.163 1.00 0.00 H new ATOM 0 HE ARG A 4 7.967 12.673 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.984 10.600 1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.195 11.139 -0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.942 13.306 1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.487 12.657 -0.345 1.00 0.00 H new ATOM 70 N GLU A 5 5.934 10.116 3.423 1.00 0.00 N ATOM 71 CA GLU A 5 5.803 10.246 2.009 1.00 0.00 C ATOM 72 C GLU A 5 4.519 10.910 1.531 1.00 0.00 C ATOM 73 O GLU A 5 4.507 11.502 0.464 1.00 0.00 O ATOM 74 CB GLU A 5 6.061 8.907 1.358 1.00 0.00 C ATOM 75 CG GLU A 5 7.283 8.207 1.960 1.00 0.00 C ATOM 76 CD GLU A 5 7.886 7.180 1.084 1.00 0.00 C ATOM 77 OE1 GLU A 5 8.490 7.542 0.058 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.759 6.005 1.411 1.00 0.00 O ATOM 0 H GLU A 5 5.749 9.176 3.774 1.00 0.00 H new ATOM 0 HA GLU A 5 6.564 10.956 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.184 8.271 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.213 9.047 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.038 8.957 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.993 7.741 2.902 1.00 0.00 H new ATOM 85 N GLN A 6 3.450 10.808 2.283 1.00 0.00 N ATOM 86 CA GLN A 6 2.194 11.451 1.892 1.00 0.00 C ATOM 87 C GLN A 6 1.676 12.303 3.008 1.00 0.00 C ATOM 88 O GLN A 6 0.818 13.157 2.806 1.00 0.00 O ATOM 89 CB GLN A 6 1.144 10.402 1.641 1.00 0.00 C ATOM 90 CG GLN A 6 1.470 9.404 0.588 1.00 0.00 C ATOM 91 CD GLN A 6 1.430 9.971 -0.806 1.00 0.00 C ATOM 92 OE1 GLN A 6 0.414 9.900 -1.480 1.00 0.00 O ATOM 93 NE2 GLN A 6 2.490 10.588 -1.224 1.00 0.00 N ATOM 0 H GLN A 6 3.412 10.294 3.163 1.00 0.00 H new ATOM 0 HA GLN A 6 2.390 12.048 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.957 9.871 2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.215 10.902 1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.463 8.997 0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.767 8.574 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.322 10.628 -0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.492 11.033 -2.142 1.00 0.00 H new ATOM 102 N GLN A 7 2.208 12.046 4.197 1.00 0.00 N ATOM 103 CA GLN A 7 1.737 12.598 5.436 1.00 0.00 C ATOM 104 C GLN A 7 0.308 12.112 5.733 1.00 0.00 C ATOM 105 O GLN A 7 -0.440 12.715 6.498 1.00 0.00 O ATOM 106 CB GLN A 7 1.898 14.112 5.486 1.00 0.00 C ATOM 107 CG GLN A 7 3.351 14.539 5.348 1.00 0.00 C ATOM 108 CD GLN A 7 3.544 16.047 5.298 1.00 0.00 C ATOM 109 OE1 GLN A 7 4.473 16.542 4.678 1.00 0.00 O ATOM 110 NE2 GLN A 7 2.674 16.786 5.949 1.00 0.00 N ATOM 0 H GLN A 7 3.007 11.424 4.316 1.00 0.00 H new ATOM 0 HA GLN A 7 2.366 12.225 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.310 14.565 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.498 14.487 6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.920 14.137 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.765 14.098 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.909 16.344 6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.764 17.802 5.945 1.00 0.00 H new ATOM 119 N LEU A 8 -0.004 10.968 5.155 1.00 0.00 N ATOM 120 CA LEU A 8 -1.267 10.304 5.297 1.00 0.00 C ATOM 121 C LEU A 8 -1.114 9.151 6.202 1.00 0.00 C ATOM 122 O LEU A 8 -0.005 8.790 6.625 1.00 0.00 O ATOM 123 CB LEU A 8 -1.770 9.801 3.939 1.00 0.00 C ATOM 124 CG LEU A 8 -2.114 10.867 2.935 1.00 0.00 C ATOM 125 CD1 LEU A 8 -2.265 10.268 1.536 1.00 0.00 C ATOM 126 CD2 LEU A 8 -3.385 11.603 3.340 1.00 0.00 C ATOM 0 H LEU A 8 0.646 10.464 4.552 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.987 11.014 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.007 9.153 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.654 9.185 4.105 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.294 11.585 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.514 11.058 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.328 9.796 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.061 9.523 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.614 12.369 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.212 10.896 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.240 12.072 4.313 1.00 0.00 H new ATOM 138 N GLU A 9 -2.201 8.573 6.468 1.00 0.00 N ATOM 139 CA GLU A 9 -2.272 7.404 7.283 1.00 0.00 C ATOM 140 C GLU A 9 -2.098 6.258 6.340 1.00 0.00 C ATOM 141 O GLU A 9 -2.568 6.319 5.221 1.00 0.00 O ATOM 142 CB GLU A 9 -3.636 7.318 7.873 1.00 0.00 C ATOM 143 CG GLU A 9 -3.842 6.332 9.001 1.00 0.00 C ATOM 144 CD GLU A 9 -5.289 6.344 9.424 1.00 0.00 C ATOM 145 OE1 GLU A 9 -6.103 5.650 8.786 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.656 7.119 10.327 1.00 0.00 O ATOM 0 H GLU A 9 -3.106 8.893 6.124 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.529 7.409 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.910 8.309 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.334 7.068 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.555 5.331 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.203 6.591 9.845 1.00 0.00 H new ATOM 153 N SER A 10 -1.420 5.277 6.741 1.00 0.00 N ATOM 154 CA SER A 10 -1.210 4.146 5.948 1.00 0.00 C ATOM 155 C SER A 10 -2.434 3.255 5.992 1.00 0.00 C ATOM 156 O SER A 10 -3.120 3.210 7.010 1.00 0.00 O ATOM 157 CB SER A 10 -0.069 3.444 6.544 1.00 0.00 C ATOM 158 OG SER A 10 -0.348 3.090 7.897 1.00 0.00 O ATOM 0 H SER A 10 -0.979 5.231 7.659 1.00 0.00 H new ATOM 0 HA SER A 10 -1.023 4.413 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.155 2.547 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.816 4.078 6.504 1.00 0.00 H new ATOM 0 HG SER A 10 0.423 2.621 8.278 1.00 0.00 H new ATOM 164 N CYS A 11 -2.689 2.532 4.952 1.00 0.00 N ATOM 165 CA CYS A 11 -3.838 1.658 4.951 1.00 0.00 C ATOM 166 C CYS A 11 -3.592 0.562 3.931 1.00 0.00 C ATOM 167 O CYS A 11 -2.572 0.588 3.230 1.00 0.00 O ATOM 168 CB CYS A 11 -5.149 2.436 4.617 1.00 0.00 C ATOM 169 SG CYS A 11 -5.420 2.735 2.861 1.00 0.00 S ATOM 0 H CYS A 11 -2.132 2.521 4.098 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.970 1.230 5.945 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.998 1.877 5.012 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.129 3.394 5.136 1.00 0.00 H new ATOM 174 N ALA A 12 -4.484 -0.388 3.853 1.00 0.00 N ATOM 175 CA ALA A 12 -4.387 -1.438 2.882 1.00 0.00 C ATOM 176 C ALA A 12 -5.643 -1.411 2.057 1.00 0.00 C ATOM 177 O ALA A 12 -6.745 -1.364 2.610 1.00 0.00 O ATOM 178 CB ALA A 12 -4.213 -2.791 3.560 1.00 0.00 C ATOM 0 H ALA A 12 -5.299 -0.454 4.463 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.514 -1.286 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.142 -3.571 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.303 -2.783 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.070 -2.988 4.204 1.00 0.00 H new ATOM 184 N CYS A 13 -5.492 -1.381 0.764 1.00 0.00 N ATOM 185 CA CYS A 13 -6.620 -1.336 -0.125 1.00 0.00 C ATOM 186 C CYS A 13 -7.401 -2.638 -0.083 1.00 0.00 C ATOM 187 O CYS A 13 -6.838 -3.705 -0.217 1.00 0.00 O ATOM 188 CB CYS A 13 -6.167 -0.985 -1.541 1.00 0.00 C ATOM 189 SG CYS A 13 -5.429 0.695 -1.689 1.00 0.00 S ATOM 0 H CYS A 13 -4.586 -1.387 0.296 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.297 -0.550 0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.437 -1.723 -1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.021 -1.057 -2.214 1.00 0.00 H new ATOM 194 N ASN A 14 -8.716 -2.512 0.142 1.00 0.00 N ATOM 195 CA ASN A 14 -9.666 -3.652 0.243 1.00 0.00 C ATOM 196 C ASN A 14 -9.674 -4.493 -1.034 1.00 0.00 C ATOM 197 O ASN A 14 -10.051 -5.658 -1.024 1.00 0.00 O ATOM 198 CB ASN A 14 -11.083 -3.109 0.513 1.00 0.00 C ATOM 199 CG ASN A 14 -12.141 -4.195 0.761 1.00 0.00 C ATOM 200 OD1 ASN A 14 -12.348 -4.620 1.881 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.836 -4.615 -0.276 1.00 0.00 N ATOM 0 H ASN A 14 -9.167 -1.605 0.262 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.344 -4.293 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.047 -2.449 1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.395 -2.502 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.569 -5.314 -0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.642 -4.242 -1.205 1.00 0.00 H new ATOM 208 N GLU A 15 -9.291 -3.871 -2.135 1.00 0.00 N ATOM 209 CA GLU A 15 -9.195 -4.525 -3.388 1.00 0.00 C ATOM 210 C GLU A 15 -8.096 -5.593 -3.267 1.00 0.00 C ATOM 211 O GLU A 15 -7.049 -5.321 -2.690 1.00 0.00 O ATOM 212 CB GLU A 15 -8.902 -3.472 -4.484 1.00 0.00 C ATOM 213 CG GLU A 15 -8.996 -3.950 -5.939 1.00 0.00 C ATOM 214 CD GLU A 15 -7.896 -4.899 -6.305 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.744 -4.482 -6.263 1.00 0.00 O ATOM 216 OE2 GLU A 15 -8.170 -6.081 -6.534 1.00 0.00 O ATOM 0 H GLU A 15 -9.039 -2.883 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.123 -5.021 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.596 -2.642 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.899 -3.078 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.958 -4.437 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.963 -3.087 -6.604 1.00 0.00 H new ATOM 223 N THR A 16 -8.353 -6.763 -3.822 1.00 0.00 N ATOM 224 CA THR A 16 -7.499 -7.931 -3.713 1.00 0.00 C ATOM 225 C THR A 16 -6.037 -7.666 -4.009 1.00 0.00 C ATOM 226 O THR A 16 -5.172 -7.936 -3.166 1.00 0.00 O ATOM 227 CB THR A 16 -8.015 -9.054 -4.627 1.00 0.00 C ATOM 228 OG1 THR A 16 -9.333 -9.440 -4.194 1.00 0.00 O ATOM 229 CG2 THR A 16 -7.072 -10.265 -4.611 1.00 0.00 C ATOM 0 H THR A 16 -9.190 -6.932 -4.380 1.00 0.00 H new ATOM 0 HA THR A 16 -7.548 -8.233 -2.667 1.00 0.00 H new ATOM 0 HB THR A 16 -8.054 -8.685 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.671 -10.155 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.465 -11.041 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.085 -9.962 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.995 -10.653 -3.595 1.00 0.00 H new ATOM 237 N ASP A 17 -5.763 -7.131 -5.148 1.00 0.00 N ATOM 238 CA ASP A 17 -4.399 -6.961 -5.555 1.00 0.00 C ATOM 239 C ASP A 17 -3.770 -5.786 -4.846 1.00 0.00 C ATOM 240 O ASP A 17 -2.593 -5.827 -4.429 1.00 0.00 O ATOM 241 CB ASP A 17 -4.313 -6.754 -7.036 1.00 0.00 C ATOM 242 CG ASP A 17 -2.902 -6.473 -7.501 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.039 -7.378 -7.446 1.00 0.00 O ATOM 244 OD2 ASP A 17 -2.607 -5.318 -7.864 1.00 0.00 O ATOM 0 H ASP A 17 -6.459 -6.802 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.856 -7.868 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.690 -7.640 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.958 -5.923 -7.321 1.00 0.00 H new ATOM 249 N ASN A 18 -4.560 -4.753 -4.641 1.00 0.00 N ATOM 250 CA ASN A 18 -4.076 -3.556 -4.035 1.00 0.00 C ATOM 251 C ASN A 18 -3.930 -3.681 -2.545 1.00 0.00 C ATOM 252 O ASN A 18 -3.520 -2.741 -1.874 1.00 0.00 O ATOM 253 CB ASN A 18 -4.855 -2.317 -4.474 1.00 0.00 C ATOM 254 CG ASN A 18 -4.490 -1.875 -5.886 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.621 -1.023 -6.076 1.00 0.00 O ATOM 256 ND2 ASN A 18 -5.101 -2.473 -6.876 1.00 0.00 N ATOM 0 H ASN A 18 -5.548 -4.731 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.064 -3.406 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.924 -2.526 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.658 -1.501 -3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.862 -2.238 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.816 -3.174 -6.685 1.00 0.00 H new ATOM 263 N SER A 19 -4.218 -4.863 -2.016 1.00 0.00 N ATOM 264 CA SER A 19 -3.907 -5.134 -0.619 1.00 0.00 C ATOM 265 C SER A 19 -2.396 -5.295 -0.467 1.00 0.00 C ATOM 266 O SER A 19 -1.863 -5.241 0.619 1.00 0.00 O ATOM 267 CB SER A 19 -4.619 -6.390 -0.125 1.00 0.00 C ATOM 268 OG SER A 19 -5.997 -6.265 -0.281 1.00 0.00 O ATOM 0 H SER A 19 -4.657 -5.634 -2.520 1.00 0.00 H new ATOM 0 HA SER A 19 -4.256 -4.297 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.262 -7.259 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.380 -6.561 0.925 1.00 0.00 H new ATOM 0 HG SER A 19 -6.276 -5.364 -0.014 1.00 0.00 H new ATOM 274 N CYS A 20 -1.721 -5.471 -1.591 1.00 0.00 N ATOM 275 CA CYS A 20 -0.295 -5.639 -1.606 1.00 0.00 C ATOM 276 C CYS A 20 0.406 -4.395 -2.116 1.00 0.00 C ATOM 277 O CYS A 20 1.582 -4.427 -2.464 1.00 0.00 O ATOM 278 CB CYS A 20 0.051 -6.859 -2.421 1.00 0.00 C ATOM 279 SG CYS A 20 -0.686 -8.350 -1.728 1.00 0.00 S ATOM 0 H CYS A 20 -2.155 -5.500 -2.514 1.00 0.00 H new ATOM 0 HA CYS A 20 0.059 -5.790 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.296 -6.723 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.134 -6.974 -2.464 1.00 0.00 H new ATOM 284 N LYS A 21 -0.315 -3.308 -2.168 1.00 0.00 N ATOM 285 CA LYS A 21 0.222 -2.033 -2.479 1.00 0.00 C ATOM 286 C LYS A 21 0.097 -1.161 -1.326 1.00 0.00 C ATOM 287 O LYS A 21 -0.745 -1.349 -0.451 1.00 0.00 O ATOM 288 CB LYS A 21 -0.404 -1.405 -3.724 1.00 0.00 C ATOM 289 CG LYS A 21 0.103 -1.940 -5.056 1.00 0.00 C ATOM 290 CD LYS A 21 -0.365 -3.347 -5.403 1.00 0.00 C ATOM 291 CE LYS A 21 0.223 -3.774 -6.743 1.00 0.00 C ATOM 292 NZ LYS A 21 -0.152 -5.145 -7.123 1.00 0.00 N ATOM 0 H LYS A 21 -1.319 -3.296 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 21 1.276 -2.169 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.483 -1.553 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.228 -0.330 -3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.215 -1.262 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.193 -1.928 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.059 -4.044 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.454 -3.377 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.112 -3.084 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.309 -3.699 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.527 -5.509 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.142 -5.754 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.106 -5.142 -7.536 1.00 0.00 H new ATOM 306 N VAL A 22 0.975 -0.248 -1.303 1.00 0.00 N ATOM 307 CA VAL A 22 1.051 0.676 -0.275 1.00 0.00 C ATOM 308 C VAL A 22 0.026 1.718 -0.474 1.00 0.00 C ATOM 309 O VAL A 22 0.111 2.544 -1.371 1.00 0.00 O ATOM 310 CB VAL A 22 2.427 1.285 -0.196 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.462 2.323 0.903 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.449 0.166 0.020 1.00 0.00 C ATOM 0 H VAL A 22 1.682 -0.125 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 22 0.864 0.168 0.671 1.00 0.00 H new ATOM 0 HB VAL A 22 2.680 1.796 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.458 2.762 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.733 3.104 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.220 1.852 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.450 0.594 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.223 -0.359 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.403 -0.535 -0.813 1.00 0.00 H new ATOM 322 N CYS A 23 -0.951 1.612 0.293 1.00 0.00 N ATOM 323 CA CYS A 23 -2.025 2.544 0.272 1.00 0.00 C ATOM 324 C CYS A 23 -1.948 3.515 1.447 1.00 0.00 C ATOM 325 O CYS A 23 -1.213 3.301 2.432 1.00 0.00 O ATOM 326 CB CYS A 23 -3.349 1.826 0.278 1.00 0.00 C ATOM 327 SG CYS A 23 -3.519 0.509 -0.993 1.00 0.00 S ATOM 0 H CYS A 23 -1.055 0.866 0.981 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.939 3.122 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.501 1.383 1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.144 2.558 0.131 1.00 0.00 H new ATOM 332 N CYS A 24 -2.721 4.546 1.334 1.00 0.00 N ATOM 333 CA CYS A 24 -2.811 5.615 2.242 1.00 0.00 C ATOM 334 C CYS A 24 -4.254 5.910 2.445 1.00 0.00 C ATOM 335 O CYS A 24 -5.082 5.555 1.598 1.00 0.00 O ATOM 336 CB CYS A 24 -2.097 6.822 1.687 1.00 0.00 C ATOM 337 SG CYS A 24 -0.305 6.674 1.742 1.00 0.00 S ATOM 0 H CYS A 24 -3.349 4.660 0.539 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.342 5.357 3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.410 6.979 0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.399 7.705 2.249 1.00 0.00 H new ATOM 342 N ARG A 25 -4.572 6.557 3.509 1.00 0.00 N ATOM 343 CA ARG A 25 -5.917 6.719 3.864 1.00 0.00 C ATOM 344 C ARG A 25 -6.238 8.173 3.783 1.00 0.00 C ATOM 345 O ARG A 25 -5.561 9.006 4.397 1.00 0.00 O ATOM 346 CB ARG A 25 -6.104 6.134 5.250 1.00 0.00 C ATOM 347 CG ARG A 25 -7.503 5.687 5.563 1.00 0.00 C ATOM 348 CD ARG A 25 -8.328 6.794 6.186 1.00 0.00 C ATOM 349 NE ARG A 25 -7.777 7.240 7.473 1.00 0.00 N ATOM 350 CZ ARG A 25 -8.036 8.403 8.072 1.00 0.00 C ATOM 351 NH1 ARG A 25 -8.741 9.351 7.436 1.00 0.00 N ATOM 352 NH2 ARG A 25 -7.531 8.648 9.280 1.00 0.00 N ATOM 0 H ARG A 25 -3.902 6.984 4.149 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.602 6.197 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.432 5.283 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.802 6.879 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.987 5.345 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.468 4.835 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.375 7.640 5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.350 6.445 6.332 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.139 6.603 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.082 9.184 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.936 10.239 7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.950 7.948 9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.725 9.536 9.744 1.00 0.00 H new ATOM 366 N ASP A 26 -7.233 8.481 3.011 1.00 0.00 N ATOM 367 CA ASP A 26 -7.568 9.821 2.719 1.00 0.00 C ATOM 368 C ASP A 26 -8.585 10.329 3.728 1.00 0.00 C ATOM 369 O ASP A 26 -8.968 9.634 4.686 1.00 0.00 O ATOM 370 CB ASP A 26 -8.107 9.944 1.266 1.00 0.00 C ATOM 371 CG ASP A 26 -9.607 9.748 1.171 1.00 0.00 C ATOM 372 OD1 ASP A 26 -10.072 8.635 1.355 1.00 0.00 O ATOM 373 OD2 ASP A 26 -10.322 10.744 0.996 1.00 0.00 O ATOM 0 H ASP A 26 -7.838 7.792 2.564 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.672 10.438 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.849 10.927 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.609 9.206 0.636 1.00 0.00 H new ATOM 378 N LEU A 27 -9.011 11.501 3.487 1.00 0.00 N ATOM 379 CA LEU A 27 -9.887 12.255 4.320 1.00 0.00 C ATOM 380 C LEU A 27 -11.286 11.672 4.371 1.00 0.00 C ATOM 381 O LEU A 27 -11.947 11.739 5.401 1.00 0.00 O ATOM 382 CB LEU A 27 -9.948 13.723 3.890 1.00 0.00 C ATOM 383 CG LEU A 27 -8.618 14.381 3.499 1.00 0.00 C ATOM 384 CD1 LEU A 27 -8.350 14.236 1.998 1.00 0.00 C ATOM 385 CD2 LEU A 27 -8.571 15.835 3.935 1.00 0.00 C ATOM 0 H LEU A 27 -8.744 12.007 2.643 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.467 12.200 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.629 13.802 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.386 14.299 4.705 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.821 13.858 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.401 14.712 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.305 13.179 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.153 14.714 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.616 16.272 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.382 16.384 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.681 15.894 5.018 1.00 0.00 H new ATOM 397 N SER A 28 -11.718 11.088 3.280 1.00 0.00 N ATOM 398 CA SER A 28 -13.012 10.503 3.201 1.00 0.00 C ATOM 399 C SER A 28 -12.960 9.161 3.919 1.00 0.00 C ATOM 400 O SER A 28 -13.971 8.637 4.393 1.00 0.00 O ATOM 401 CB SER A 28 -13.436 10.343 1.719 1.00 0.00 C ATOM 402 OG SER A 28 -14.800 9.918 1.579 1.00 0.00 O ATOM 0 H SER A 28 -11.170 11.011 2.423 1.00 0.00 H new ATOM 0 HA SER A 28 -13.757 11.140 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.300 11.293 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.782 9.619 1.234 1.00 0.00 H new ATOM 0 HG SER A 28 -15.020 9.833 0.628 1.00 0.00 H new ATOM 408 N GLY A 29 -11.752 8.661 4.059 1.00 0.00 N ATOM 409 CA GLY A 29 -11.526 7.422 4.674 1.00 0.00 C ATOM 410 C GLY A 29 -11.515 6.261 3.695 1.00 0.00 C ATOM 411 O GLY A 29 -12.034 5.172 3.985 1.00 0.00 O ATOM 0 H GLY A 29 -10.905 9.129 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.572 7.454 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.298 7.249 5.424 1.00 0.00 H new ATOM 415 N ARG A 30 -11.014 6.508 2.518 1.00 0.00 N ATOM 416 CA ARG A 30 -10.827 5.497 1.506 1.00 0.00 C ATOM 417 C ARG A 30 -9.353 5.147 1.446 1.00 0.00 C ATOM 418 O ARG A 30 -8.524 5.777 2.123 1.00 0.00 O ATOM 419 CB ARG A 30 -11.279 5.980 0.098 1.00 0.00 C ATOM 420 CG ARG A 30 -12.779 5.874 -0.277 1.00 0.00 C ATOM 421 CD ARG A 30 -13.732 6.681 0.606 1.00 0.00 C ATOM 422 NE ARG A 30 -13.967 6.052 1.911 1.00 0.00 N ATOM 423 CZ ARG A 30 -14.986 6.327 2.731 1.00 0.00 C ATOM 424 NH1 ARG A 30 -15.833 7.315 2.440 1.00 0.00 N ATOM 425 NH2 ARG A 30 -15.099 5.666 3.886 1.00 0.00 N ATOM 0 H ARG A 30 -10.716 7.438 2.225 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.437 4.635 1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.986 7.025 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.712 5.416 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.902 6.201 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.073 4.825 -0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.322 7.680 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.684 6.802 0.089 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.297 5.347 2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.704 7.863 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.610 7.522 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.410 4.957 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.874 5.870 4.517 1.00 0.00 H new ATOM 439 N CYS A 31 -9.033 4.164 0.661 1.00 0.00 N ATOM 440 CA CYS A 31 -7.674 3.773 0.468 1.00 0.00 C ATOM 441 C CYS A 31 -7.194 4.145 -0.891 1.00 0.00 C ATOM 442 O CYS A 31 -7.737 3.704 -1.904 1.00 0.00 O ATOM 443 CB CYS A 31 -7.455 2.298 0.743 1.00 0.00 C ATOM 444 SG CYS A 31 -7.249 1.927 2.495 1.00 0.00 S ATOM 0 H CYS A 31 -9.710 3.610 0.136 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.080 4.323 1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.303 1.733 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.572 1.961 0.200 1.00 0.00 H new ATOM 449 N VAL A 32 -6.217 4.983 -0.900 1.00 0.00 N ATOM 450 CA VAL A 32 -5.589 5.430 -2.063 1.00 0.00 C ATOM 451 C VAL A 32 -4.171 4.942 -2.114 1.00 0.00 C ATOM 452 O VAL A 32 -3.489 4.979 -1.121 1.00 0.00 O ATOM 453 CB VAL A 32 -5.635 6.963 -2.237 1.00 0.00 C ATOM 454 CG1 VAL A 32 -6.946 7.349 -2.873 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.458 7.678 -0.882 1.00 0.00 C ATOM 0 H VAL A 32 -5.826 5.386 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.153 5.009 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.813 7.273 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.985 8.431 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.034 6.867 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.769 7.028 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.494 8.757 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.259 7.379 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.496 7.404 -0.449 1.00 0.00 H new ATOM 465 N PRO A 33 -3.731 4.448 -3.253 1.00 0.00 N ATOM 466 CA PRO A 33 -2.353 3.971 -3.424 1.00 0.00 C ATOM 467 C PRO A 33 -1.356 5.129 -3.264 1.00 0.00 C ATOM 468 O PRO A 33 -1.537 6.187 -3.875 1.00 0.00 O ATOM 469 CB PRO A 33 -2.336 3.442 -4.870 1.00 0.00 C ATOM 470 CG PRO A 33 -3.490 4.115 -5.545 1.00 0.00 C ATOM 471 CD PRO A 33 -4.531 4.316 -4.482 1.00 0.00 C ATOM 0 HA PRO A 33 -2.068 3.219 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.395 3.681 -5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.443 2.358 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.187 5.068 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.877 3.502 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.132 5.206 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.219 3.472 -4.427 1.00 0.00 H new ATOM 479 N TYR A 34 -0.337 4.948 -2.428 1.00 0.00 N ATOM 480 CA TYR A 34 0.648 6.003 -2.206 1.00 0.00 C ATOM 481 C TYR A 34 1.462 6.321 -3.452 1.00 0.00 C ATOM 482 O TYR A 34 1.839 5.417 -4.208 1.00 0.00 O ATOM 483 CB TYR A 34 1.575 5.640 -1.017 1.00 0.00 C ATOM 484 CG TYR A 34 3.076 5.860 -1.244 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.618 7.132 -1.305 1.00 0.00 C ATOM 486 CD2 TYR A 34 3.967 4.793 -1.401 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.909 7.315 -1.507 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.287 5.038 -1.604 1.00 0.00 C ATOM 489 CZ TYR A 34 5.746 6.279 -1.655 1.00 0.00 C ATOM 490 OH TYR A 34 7.079 6.495 -1.883 1.00 0.00 O ATOM 0 H TYR A 34 -0.172 4.092 -1.899 1.00 0.00 H new ATOM 0 HA TYR A 34 0.093 6.908 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.269 6.227 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.416 4.592 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.973 7.990 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.606 3.776 -1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.299 8.321 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.971 4.211 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 34 7.453 7.030 -1.152 1.00 0.00 H new ATOM 500 N VAL A 35 1.702 7.609 -3.683 1.00 0.00 N ATOM 501 CA VAL A 35 2.615 8.019 -4.676 1.00 0.00 C ATOM 502 C VAL A 35 3.332 9.223 -4.173 1.00 0.00 C ATOM 503 O VAL A 35 2.708 10.235 -3.875 1.00 0.00 O ATOM 504 CB VAL A 35 1.985 8.448 -5.985 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.726 7.883 -7.135 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.481 8.228 -6.068 1.00 0.00 C ATOM 0 H VAL A 35 1.257 8.373 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 35 3.246 7.151 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 35 2.081 9.533 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.256 8.204 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.758 8.233 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.711 6.795 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.117 8.564 -7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.261 7.168 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.014 8.795 -5.279 1.00 0.00 H new ATOM 516 N ASP A 36 4.617 9.167 -4.138 1.00 0.00 N ATOM 517 CA ASP A 36 5.350 10.299 -3.674 1.00 0.00 C ATOM 518 C ASP A 36 5.889 10.893 -4.782 1.00 0.00 C ATOM 519 O ASP A 36 6.190 10.205 -5.724 1.00 0.00 O ATOM 520 CB ASP A 36 6.285 10.023 -2.498 1.00 0.00 C ATOM 521 CG ASP A 36 7.308 11.088 -2.136 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.940 12.247 -1.951 1.00 0.00 O ATOM 523 OD2 ASP A 36 8.499 10.731 -1.951 1.00 0.00 O ATOM 0 H ASP A 36 5.179 8.364 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 36 4.693 11.020 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.669 9.838 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.824 9.100 -2.709 1.00 0.00 H new ATOM 528 N ALA A 37 6.050 12.126 -4.624 1.00 0.00 N ATOM 529 CA ALA A 37 6.161 13.168 -5.622 1.00 0.00 C ATOM 530 C ALA A 37 6.773 12.802 -6.994 1.00 0.00 C ATOM 531 O ALA A 37 6.322 13.306 -8.024 1.00 0.00 O ATOM 532 CB ALA A 37 6.818 14.315 -4.975 1.00 0.00 C ATOM 0 H ALA A 37 6.121 12.516 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 37 5.146 13.403 -5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.923 15.127 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.215 14.652 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.804 14.016 -4.619 1.00 0.00 H new ATOM 538 N GLU A 38 7.682 11.877 -6.988 1.00 0.00 N ATOM 539 CA GLU A 38 8.337 11.358 -8.113 1.00 0.00 C ATOM 540 C GLU A 38 7.412 10.358 -8.857 1.00 0.00 C ATOM 541 O GLU A 38 7.837 9.710 -9.809 1.00 0.00 O ATOM 542 CB GLU A 38 9.552 10.611 -7.614 1.00 0.00 C ATOM 543 CG GLU A 38 10.545 11.448 -6.811 1.00 0.00 C ATOM 544 CD GLU A 38 11.071 12.644 -7.576 1.00 0.00 C ATOM 545 OE1 GLU A 38 12.061 12.487 -8.315 1.00 0.00 O ATOM 546 OE2 GLU A 38 10.494 13.736 -7.421 1.00 0.00 O ATOM 0 H GLU A 38 7.998 11.442 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 38 8.608 12.162 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.218 9.779 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.072 10.182 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.063 11.793 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.383 10.818 -6.512 1.00 0.00 H new ATOM 553 N GLN A 39 6.151 10.199 -8.340 1.00 0.00 N ATOM 554 CA GLN A 39 5.145 9.355 -8.854 1.00 0.00 C ATOM 555 C GLN A 39 5.532 7.906 -8.639 1.00 0.00 C ATOM 556 O GLN A 39 5.195 7.008 -9.404 1.00 0.00 O ATOM 557 CB GLN A 39 4.875 9.735 -10.256 1.00 0.00 C ATOM 558 CG GLN A 39 4.359 11.158 -10.374 1.00 0.00 C ATOM 559 CD GLN A 39 3.047 11.395 -9.650 1.00 0.00 C ATOM 560 OE1 GLN A 39 2.213 10.515 -9.529 1.00 0.00 O ATOM 561 NE2 GLN A 39 2.877 12.584 -9.133 1.00 0.00 N ATOM 0 H GLN A 39 5.845 10.706 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 39 4.201 9.476 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.789 9.632 -10.841 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.144 9.048 -10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.110 11.841 -9.978 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.231 11.402 -11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.594 13.299 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.027 12.796 -8.611 1.00 0.00 H new ATOM 570 N LYS A 40 6.187 7.704 -7.513 1.00 0.00 N ATOM 571 CA LYS A 40 6.576 6.430 -7.070 1.00 0.00 C ATOM 572 C LYS A 40 5.583 5.800 -6.124 1.00 0.00 C ATOM 573 O LYS A 40 5.047 6.453 -5.235 1.00 0.00 O ATOM 574 CB LYS A 40 7.906 6.522 -6.440 1.00 0.00 C ATOM 575 CG LYS A 40 8.042 7.372 -5.193 1.00 0.00 C ATOM 576 CD LYS A 40 9.510 7.403 -4.754 1.00 0.00 C ATOM 577 CE LYS A 40 9.775 8.450 -3.692 1.00 0.00 C ATOM 578 NZ LYS A 40 9.047 8.191 -2.445 1.00 0.00 N ATOM 0 H LYS A 40 6.459 8.458 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 40 6.615 5.777 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.230 5.511 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.603 6.907 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.689 8.384 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.421 6.967 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.792 6.422 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.141 7.601 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.844 8.486 -3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.492 9.430 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.702 9.090 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.239 7.565 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.683 7.735 -1.760 1.00 0.00 H new ATOM 592 N ASN A 41 5.408 4.536 -6.310 1.00 0.00 N ATOM 593 CA ASN A 41 4.504 3.704 -5.563 1.00 0.00 C ATOM 594 C ASN A 41 5.326 2.524 -5.056 1.00 0.00 C ATOM 595 O ASN A 41 6.534 2.473 -5.313 1.00 0.00 O ATOM 596 CB ASN A 41 3.409 3.246 -6.525 1.00 0.00 C ATOM 597 CG ASN A 41 2.298 2.365 -5.926 1.00 0.00 C ATOM 598 OD1 ASN A 41 2.357 1.146 -5.992 1.00 0.00 O ATOM 599 ND2 ASN A 41 1.333 2.965 -5.289 1.00 0.00 N ATOM 0 H ASN A 41 5.917 4.019 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 41 4.038 4.215 -4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.946 4.131 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.879 2.696 -7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.605 2.416 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.305 3.984 -5.248 1.00 0.00 H new ATOM 606 N LEU A 42 4.697 1.575 -4.415 1.00 0.00 N ATOM 607 CA LEU A 42 5.393 0.469 -3.785 1.00 0.00 C ATOM 608 C LEU A 42 4.504 -0.723 -3.688 1.00 0.00 C ATOM 609 O LEU A 42 3.266 -0.609 -3.616 1.00 0.00 O ATOM 610 CB LEU A 42 5.734 0.785 -2.351 1.00 0.00 C ATOM 611 CG LEU A 42 6.609 1.946 -2.047 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.481 2.243 -0.565 1.00 0.00 C ATOM 613 CD2 LEU A 42 8.058 1.656 -2.414 1.00 0.00 C ATOM 0 H LEU A 42 3.683 1.541 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 42 6.280 0.289 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.795 0.935 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.206 -0.100 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 42 6.300 2.809 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.113 3.093 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.443 2.478 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.795 1.371 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.673 2.525 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.412 0.796 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.127 1.439 -3.480 1.00 0.00 H new ATOM 625 N PHE A 43 5.131 -1.842 -3.623 1.00 0.00 N ATOM 626 CA PHE A 43 4.527 -3.040 -3.352 1.00 0.00 C ATOM 627 C PHE A 43 4.813 -3.331 -1.885 1.00 0.00 C ATOM 628 O PHE A 43 5.939 -3.094 -1.422 1.00 0.00 O ATOM 629 CB PHE A 43 5.146 -4.112 -4.218 1.00 0.00 C ATOM 630 CG PHE A 43 4.972 -3.908 -5.702 1.00 0.00 C ATOM 631 CD1 PHE A 43 3.820 -4.326 -6.346 1.00 0.00 C ATOM 632 CD2 PHE A 43 5.970 -3.304 -6.453 1.00 0.00 C ATOM 633 CE1 PHE A 43 3.666 -4.147 -7.707 1.00 0.00 C ATOM 634 CE2 PHE A 43 5.822 -3.124 -7.813 1.00 0.00 C ATOM 635 CZ PHE A 43 4.668 -3.546 -8.441 1.00 0.00 C ATOM 0 H PHE A 43 6.137 -1.921 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 43 3.456 -3.014 -3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.212 -4.168 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.713 -5.074 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.032 -4.798 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.875 -2.970 -5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.762 -4.477 -8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.608 -2.654 -8.385 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.549 -3.406 -9.505 1.00 0.00 H new ATOM 645 N LEU A 44 3.824 -3.781 -1.156 1.00 0.00 N ATOM 646 CA LEU A 44 3.977 -4.125 0.207 1.00 0.00 C ATOM 647 C LEU A 44 4.964 -5.281 0.424 1.00 0.00 C ATOM 648 O LEU A 44 5.475 -5.913 -0.541 1.00 0.00 O ATOM 649 CB LEU A 44 2.633 -4.412 0.899 1.00 0.00 C ATOM 650 CG LEU A 44 1.823 -3.183 1.340 1.00 0.00 C ATOM 651 CD1 LEU A 44 0.483 -3.611 1.897 1.00 0.00 C ATOM 652 CD2 LEU A 44 2.580 -2.402 2.409 1.00 0.00 C ATOM 0 H LEU A 44 2.878 -3.916 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 44 4.407 -3.242 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.017 -5.003 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.824 -5.030 1.776 1.00 0.00 H new ATOM 0 HG LEU A 44 1.669 -2.547 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.081 -2.731 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.075 -4.149 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.638 -4.263 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.993 -1.535 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.752 -3.042 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.537 -2.070 2.008 1.00 0.00 H new ATOM 664 N ARG A 45 5.203 -5.572 1.682 1.00 0.00 N ATOM 665 CA ARG A 45 6.142 -6.554 2.089 1.00 0.00 C ATOM 666 C ARG A 45 5.686 -7.967 1.688 1.00 0.00 C ATOM 667 O ARG A 45 4.514 -8.214 1.443 1.00 0.00 O ATOM 668 CB ARG A 45 6.350 -6.432 3.575 1.00 0.00 C ATOM 669 CG ARG A 45 6.891 -5.069 4.052 1.00 0.00 C ATOM 670 CD ARG A 45 8.210 -4.657 3.378 1.00 0.00 C ATOM 671 NE ARG A 45 9.352 -5.531 3.727 1.00 0.00 N ATOM 672 CZ ARG A 45 10.602 -5.401 3.215 1.00 0.00 C ATOM 673 NH1 ARG A 45 10.856 -4.457 2.295 1.00 0.00 N ATOM 674 NH2 ARG A 45 11.589 -6.208 3.635 1.00 0.00 N ATOM 0 H ARG A 45 4.730 -5.112 2.460 1.00 0.00 H new ATOM 0 HA ARG A 45 7.091 -6.386 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.401 -6.624 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.042 -7.211 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.140 -4.303 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.040 -5.105 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.074 -4.666 2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.448 -3.632 3.661 1.00 0.00 H new ATOM 0 HE ARG A 45 9.189 -6.282 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.109 -3.837 1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.796 -4.359 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.400 -6.920 4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.528 -6.109 3.249 1.00 0.00 H new ATOM 688 N LYS A 46 6.619 -8.874 1.664 1.00 0.00 N ATOM 689 CA LYS A 46 6.397 -10.198 1.104 1.00 0.00 C ATOM 690 C LYS A 46 5.993 -11.227 2.150 1.00 0.00 C ATOM 691 O LYS A 46 6.484 -11.195 3.303 1.00 0.00 O ATOM 692 CB LYS A 46 7.629 -10.651 0.283 1.00 0.00 C ATOM 693 CG LYS A 46 7.829 -9.886 -1.048 1.00 0.00 C ATOM 694 CD LYS A 46 8.120 -8.390 -0.882 1.00 0.00 C ATOM 695 CE LYS A 46 7.918 -7.630 -2.192 1.00 0.00 C ATOM 696 NZ LYS A 46 6.489 -7.648 -2.634 1.00 0.00 N ATOM 0 H LYS A 46 7.560 -8.728 2.030 1.00 0.00 H new ATOM 0 HA LYS A 46 5.545 -10.125 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.523 -10.530 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.534 -11.715 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.652 -10.345 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.934 -10.004 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.467 -7.974 -0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.145 -8.254 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.246 -6.598 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.543 -8.072 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.413 -7.226 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.147 -8.630 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.912 -7.101 -1.964 1.00 0.00 H new ATOM 710 N GLY A 47 5.056 -12.096 1.752 1.00 0.00 N ATOM 711 CA GLY A 47 4.499 -13.136 2.602 1.00 0.00 C ATOM 712 C GLY A 47 3.783 -12.512 3.733 1.00 0.00 C ATOM 713 O GLY A 47 4.020 -12.832 4.907 1.00 0.00 O ATOM 0 H GLY A 47 4.661 -12.089 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.818 -13.765 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.294 -13.783 2.973 1.00 0.00 H new ATOM 717 N LYS A 48 2.991 -11.537 3.397 1.00 0.00 N ATOM 718 CA LYS A 48 2.255 -10.792 4.377 1.00 0.00 C ATOM 719 C LYS A 48 0.762 -10.860 4.109 1.00 0.00 C ATOM 720 O LYS A 48 0.373 -11.067 2.976 1.00 0.00 O ATOM 721 CB LYS A 48 2.784 -9.381 4.356 1.00 0.00 C ATOM 722 CG LYS A 48 4.217 -9.280 4.884 1.00 0.00 C ATOM 723 CD LYS A 48 4.315 -9.677 6.362 1.00 0.00 C ATOM 724 CE LYS A 48 5.719 -10.135 6.733 1.00 0.00 C ATOM 725 NZ LYS A 48 6.107 -11.381 5.998 1.00 0.00 N ATOM 0 H LYS A 48 2.836 -11.235 2.435 1.00 0.00 H new ATOM 0 HA LYS A 48 2.391 -11.216 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.749 -8.999 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.134 -8.745 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.868 -9.924 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.578 -8.259 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.033 -8.829 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.605 -10.477 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.432 -9.342 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.771 -10.315 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.818 -11.902 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.267 -11.980 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.505 -11.128 5.071 1.00 0.00 H new ATOM 739 N PRO A 49 -0.078 -10.734 5.170 1.00 0.00 N ATOM 740 CA PRO A 49 -1.547 -10.826 5.058 1.00 0.00 C ATOM 741 C PRO A 49 -2.154 -9.882 4.020 1.00 0.00 C ATOM 742 O PRO A 49 -1.810 -8.703 3.943 1.00 0.00 O ATOM 743 CB PRO A 49 -2.043 -10.455 6.460 1.00 0.00 C ATOM 744 CG PRO A 49 -0.909 -10.781 7.358 1.00 0.00 C ATOM 745 CD PRO A 49 0.333 -10.492 6.571 1.00 0.00 C ATOM 0 HA PRO A 49 -1.843 -11.820 4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.305 -9.399 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.935 -11.021 6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.945 -10.180 8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.942 -11.826 7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.671 -9.466 6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.155 -11.144 6.866 1.00 0.00 H new ATOM 753 N CYS A 50 -3.052 -10.425 3.260 1.00 0.00 N ATOM 754 CA CYS A 50 -3.759 -9.758 2.226 1.00 0.00 C ATOM 755 C CYS A 50 -5.143 -10.419 2.115 1.00 0.00 C ATOM 756 O CYS A 50 -5.469 -11.281 2.929 1.00 0.00 O ATOM 757 CB CYS A 50 -2.913 -9.817 0.921 1.00 0.00 C ATOM 758 SG CYS A 50 -3.744 -9.482 -0.661 1.00 0.00 S ATOM 0 H CYS A 50 -3.323 -11.404 3.355 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.919 -8.700 2.431 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.094 -9.105 1.023 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.467 -10.810 0.859 1.00 0.00 H new ATOM 763 N THR A 51 -5.924 -10.007 1.151 1.00 0.00 N ATOM 764 CA THR A 51 -7.284 -10.455 0.933 1.00 0.00 C ATOM 765 C THR A 51 -7.413 -11.965 0.767 1.00 0.00 C ATOM 766 O THR A 51 -7.974 -12.660 1.605 1.00 0.00 O ATOM 767 CB THR A 51 -7.817 -9.787 -0.348 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.821 -9.910 -1.387 1.00 0.00 O ATOM 769 CG2 THR A 51 -8.080 -8.346 -0.116 1.00 0.00 C ATOM 0 H THR A 51 -5.620 -9.319 0.462 1.00 0.00 H new ATOM 0 HA THR A 51 -7.854 -10.178 1.820 1.00 0.00 H new ATOM 0 HB THR A 51 -8.746 -10.277 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.953 -9.612 -1.045 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.456 -7.892 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.822 -8.234 0.675 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.156 -7.851 0.181 1.00 0.00 H new ATOM 777 N VAL A 52 -6.895 -12.433 -0.322 1.00 0.00 N ATOM 778 CA VAL A 52 -7.033 -13.817 -0.715 1.00 0.00 C ATOM 779 C VAL A 52 -5.945 -14.714 -0.138 1.00 0.00 C ATOM 780 O VAL A 52 -6.022 -15.929 -0.252 1.00 0.00 O ATOM 781 CB VAL A 52 -7.092 -13.950 -2.259 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.226 -13.089 -2.807 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.763 -13.573 -2.917 1.00 0.00 C ATOM 0 H VAL A 52 -6.356 -11.867 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.977 -14.163 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.283 -14.996 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.264 -13.185 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.173 -13.419 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.052 -12.046 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.849 -13.680 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.517 -12.539 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.975 -14.230 -2.549 1.00 0.00 H new ATOM 793 N GLY A 53 -4.971 -14.114 0.499 1.00 0.00 N ATOM 794 CA GLY A 53 -3.896 -14.851 1.051 1.00 0.00 C ATOM 795 C GLY A 53 -2.760 -13.952 1.437 1.00 0.00 C ATOM 796 O GLY A 53 -2.936 -13.038 2.254 1.00 0.00 O ATOM 0 H GLY A 53 -4.914 -13.106 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.241 -15.401 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.549 -15.589 0.328 1.00 0.00 H new ATOM 800 N PHE A 54 -1.614 -14.185 0.876 1.00 0.00 N ATOM 801 CA PHE A 54 -0.464 -13.401 1.162 1.00 0.00 C ATOM 802 C PHE A 54 -0.083 -12.504 0.007 1.00 0.00 C ATOM 803 O PHE A 54 -0.530 -12.680 -1.117 1.00 0.00 O ATOM 804 CB PHE A 54 0.729 -14.298 1.582 1.00 0.00 C ATOM 805 CG PHE A 54 1.244 -15.295 0.551 1.00 0.00 C ATOM 806 CD1 PHE A 54 1.985 -14.883 -0.550 1.00 0.00 C ATOM 807 CD2 PHE A 54 1.006 -16.652 0.713 1.00 0.00 C ATOM 808 CE1 PHE A 54 2.467 -15.797 -1.466 1.00 0.00 C ATOM 809 CE2 PHE A 54 1.483 -17.571 -0.204 1.00 0.00 C ATOM 810 CZ PHE A 54 2.214 -17.141 -1.293 1.00 0.00 C ATOM 0 H PHE A 54 -1.454 -14.933 0.201 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.720 -12.753 2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.557 -13.649 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.437 -14.853 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.187 -13.832 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.441 -16.996 1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.041 -15.460 -2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.284 -18.624 -0.068 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.588 -17.857 -2.010 1.00 0.00 H new ATOM 820 N CYS A 55 0.714 -11.534 0.316 1.00 0.00 N ATOM 821 CA CYS A 55 1.323 -10.689 -0.669 1.00 0.00 C ATOM 822 C CYS A 55 2.596 -11.324 -1.082 1.00 0.00 C ATOM 823 O CYS A 55 3.457 -11.593 -0.252 1.00 0.00 O ATOM 824 CB CYS A 55 1.584 -9.312 -0.106 1.00 0.00 C ATOM 825 SG CYS A 55 0.074 -8.381 0.149 1.00 0.00 S ATOM 0 H CYS A 55 0.967 -11.299 1.276 1.00 0.00 H new ATOM 0 HA CYS A 55 0.658 -10.572 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.115 -9.404 0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.236 -8.762 -0.785 1.00 0.00 H new ATOM 830 N ASP A 56 2.723 -11.588 -2.331 1.00 0.00 N ATOM 831 CA ASP A 56 3.842 -12.358 -2.810 1.00 0.00 C ATOM 832 C ASP A 56 5.100 -11.491 -3.019 1.00 0.00 C ATOM 833 O ASP A 56 5.168 -10.306 -2.593 1.00 0.00 O ATOM 834 CB ASP A 56 3.489 -13.077 -4.128 1.00 0.00 C ATOM 835 CG ASP A 56 3.580 -12.150 -5.346 1.00 0.00 C ATOM 836 OD1 ASP A 56 2.814 -11.184 -5.441 1.00 0.00 O ATOM 837 OD2 ASP A 56 4.495 -12.332 -6.160 1.00 0.00 O ATOM 0 H ASP A 56 2.069 -11.286 -3.054 1.00 0.00 H new ATOM 0 HA ASP A 56 4.065 -13.097 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.162 -13.923 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.479 -13.482 -4.058 1.00 0.00 H new ATOM 842 N MET A 57 6.075 -12.092 -3.708 1.00 0.00 N ATOM 843 CA MET A 57 7.324 -11.545 -4.011 1.00 0.00 C ATOM 844 C MET A 57 7.175 -10.280 -4.855 1.00 0.00 C ATOM 845 O MET A 57 7.937 -9.333 -4.699 1.00 0.00 O ATOM 846 CB MET A 57 8.104 -12.613 -4.738 1.00 0.00 C ATOM 847 CG MET A 57 9.415 -12.165 -5.233 1.00 0.00 C ATOM 848 SD MET A 57 10.525 -11.635 -3.910 1.00 0.00 S ATOM 849 CE MET A 57 11.969 -11.158 -4.853 1.00 0.00 C ATOM 0 H MET A 57 5.966 -13.037 -4.077 1.00 0.00 H new ATOM 0 HA MET A 57 7.850 -11.244 -3.105 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.250 -13.461 -4.069 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.512 -12.971 -5.580 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.884 -12.976 -5.790 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.271 -11.341 -5.931 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.747 -10.807 -4.175 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.338 -12.017 -5.414 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.704 -10.359 -5.546 1.00 0.00 H new ATOM 859 N ASN A 58 6.188 -10.251 -5.716 1.00 0.00 N ATOM 860 CA ASN A 58 5.939 -9.061 -6.492 1.00 0.00 C ATOM 861 C ASN A 58 5.136 -8.074 -5.670 1.00 0.00 C ATOM 862 O ASN A 58 5.629 -7.009 -5.317 1.00 0.00 O ATOM 863 CB ASN A 58 5.189 -9.391 -7.793 1.00 0.00 C ATOM 864 CG ASN A 58 4.838 -8.147 -8.609 1.00 0.00 C ATOM 865 OD1 ASN A 58 3.780 -7.551 -8.440 1.00 0.00 O ATOM 866 ND2 ASN A 58 5.716 -7.755 -9.499 1.00 0.00 N ATOM 0 H ASN A 58 5.551 -11.027 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 58 6.900 -8.620 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.802 -10.057 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.274 -9.931 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.528 -6.934 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.588 -8.271 -9.617 1.00 0.00 H new ATOM 873 N GLY A 59 3.984 -8.496 -5.228 1.00 0.00 N ATOM 874 CA GLY A 59 3.083 -7.614 -4.547 1.00 0.00 C ATOM 875 C GLY A 59 1.713 -7.751 -5.097 1.00 0.00 C ATOM 876 O GLY A 59 1.031 -6.773 -5.375 1.00 0.00 O ATOM 0 H GLY A 59 3.647 -9.453 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.078 -7.841 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.423 -6.584 -4.652 1.00 0.00 H new ATOM 880 N LYS A 60 1.343 -8.958 -5.263 1.00 0.00 N ATOM 881 CA LYS A 60 0.053 -9.388 -5.676 1.00 0.00 C ATOM 882 C LYS A 60 -0.341 -10.331 -4.606 1.00 0.00 C ATOM 883 O LYS A 60 0.490 -10.728 -3.785 1.00 0.00 O ATOM 884 CB LYS A 60 0.184 -10.144 -6.986 1.00 0.00 C ATOM 885 CG LYS A 60 -1.104 -10.583 -7.674 1.00 0.00 C ATOM 886 CD LYS A 60 -0.818 -11.654 -8.735 1.00 0.00 C ATOM 887 CE LYS A 60 -0.620 -13.074 -8.131 1.00 0.00 C ATOM 888 NZ LYS A 60 0.468 -13.183 -7.111 1.00 0.00 N ATOM 0 H LYS A 60 1.979 -9.740 -5.103 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.658 -8.575 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.741 -9.517 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.788 -11.033 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.801 -10.975 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.584 -9.722 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.643 -11.680 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.076 -11.375 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.558 -13.392 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.408 -13.771 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.616 -14.183 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.348 -12.787 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.198 -12.654 -6.257 1.00 0.00 H new ATOM 902 N CYS A 61 -1.527 -10.680 -4.597 1.00 0.00 N ATOM 903 CA CYS A 61 -2.018 -11.514 -3.604 1.00 0.00 C ATOM 904 C CYS A 61 -2.064 -12.896 -4.206 1.00 0.00 C ATOM 905 O CYS A 61 -2.540 -13.040 -5.343 1.00 0.00 O ATOM 906 CB CYS A 61 -3.363 -10.994 -3.238 1.00 0.00 C ATOM 907 SG CYS A 61 -3.862 -11.305 -1.515 1.00 0.00 S ATOM 0 H CYS A 61 -2.216 -10.394 -5.293 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.413 -11.550 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.382 -9.919 -3.418 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.103 -11.442 -3.902 1.00 0.00 H new ATOM 912 N GLU A 62 -1.550 -13.860 -3.462 1.00 0.00 N ATOM 913 CA GLU A 62 -1.330 -15.232 -3.879 1.00 0.00 C ATOM 914 C GLU A 62 -0.611 -15.297 -5.236 1.00 0.00 C ATOM 915 O GLU A 62 -1.252 -15.484 -6.283 1.00 0.00 O ATOM 916 CB GLU A 62 -2.634 -15.975 -3.869 1.00 0.00 C ATOM 917 CG GLU A 62 -3.224 -16.236 -2.484 1.00 0.00 C ATOM 918 CD GLU A 62 -2.290 -16.962 -1.542 1.00 0.00 C ATOM 919 OE1 GLU A 62 -2.249 -18.210 -1.563 1.00 0.00 O ATOM 920 OE2 GLU A 62 -1.618 -16.272 -0.739 1.00 0.00 O ATOM 921 OXT GLU A 62 0.611 -15.012 -5.277 1.00 0.00 O ATOM 0 H GLU A 62 -1.259 -13.696 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.664 -15.724 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.360 -15.411 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.493 -16.932 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.507 -15.283 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.138 -16.820 -2.594 1.00 0.00 H new TER 928 GLU A 62