USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 480 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 51 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 58 SER OG : rot 76:sc= 0.176 USER MOD Single : A 63 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.43) USER MOD Single : A 73 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.38) USER MOD Single : A 74 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.018) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.72 K(o=-0.72,f=-1.5) USER MOD Single : A 85 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.57) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.0965 K(o=-0.096,f=-5.8!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0408 USER MOD Single : A 94 TYR OH : rot 0:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.054) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 1.33 (180deg=1.27) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.93 F(o=-2!,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 48 0.696 12.141 -5.477 1.00 0.00 N ATOM 9 CA GLU A 48 1.124 10.773 -5.755 1.00 0.00 C ATOM 10 C GLU A 48 1.133 9.822 -4.583 1.00 0.00 C ATOM 11 O GLU A 48 0.506 8.777 -4.695 1.00 0.00 O ATOM 12 CB GLU A 48 2.524 10.770 -6.357 1.00 0.00 C ATOM 13 CG GLU A 48 3.129 9.354 -6.470 1.00 0.00 C ATOM 14 CD GLU A 48 4.163 9.233 -7.576 1.00 0.00 C ATOM 15 OE1 GLU A 48 5.314 9.661 -7.364 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.822 8.674 -8.650 1.00 0.00 O ATOM 0 HA GLU A 48 0.363 10.406 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.489 11.224 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.178 11.391 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.590 9.086 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.328 8.637 -6.650 1.00 0.00 H new ATOM 23 N VAL A 49 1.845 10.144 -3.502 1.00 0.00 N ATOM 24 CA VAL A 49 1.941 9.269 -2.339 1.00 0.00 C ATOM 25 C VAL A 49 0.584 8.680 -1.963 1.00 0.00 C ATOM 26 O VAL A 49 0.479 7.467 -1.848 1.00 0.00 O ATOM 27 CB VAL A 49 2.711 9.936 -1.195 1.00 0.00 C ATOM 28 CG1 VAL A 49 2.153 11.301 -0.801 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.812 9.006 0.018 1.00 0.00 C ATOM 0 H VAL A 49 2.368 11.015 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 49 2.546 8.401 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 49 3.716 10.122 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.746 11.715 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.196 11.973 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.118 11.191 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.363 9.506 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.811 8.758 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.334 8.092 -0.267 1.00 0.00 H new ATOM 39 N ARG A 50 -0.471 9.486 -1.817 1.00 0.00 N ATOM 40 CA ARG A 50 -1.770 8.896 -1.475 1.00 0.00 C ATOM 41 C ARG A 50 -2.261 7.946 -2.577 1.00 0.00 C ATOM 42 O ARG A 50 -2.830 6.914 -2.236 1.00 0.00 O ATOM 43 CB ARG A 50 -2.847 9.944 -1.187 1.00 0.00 C ATOM 44 CG ARG A 50 -2.804 10.521 0.238 1.00 0.00 C ATOM 45 CD ARG A 50 -4.193 11.070 0.597 1.00 0.00 C ATOM 46 NE ARG A 50 -4.322 11.491 2.006 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.491 11.789 2.588 1.00 0.00 C ATOM 48 NH1 ARG A 50 -6.623 11.704 1.903 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.551 12.192 3.851 1.00 0.00 N ATOM 0 H ARG A 50 -0.459 10.500 -1.924 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.604 8.332 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.742 10.761 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.827 9.497 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.509 9.748 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.058 11.313 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.415 11.920 -0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.941 10.306 0.386 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.473 11.559 2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.607 11.410 0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.510 11.932 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.695 12.280 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.453 12.414 4.273 1.00 0.00 H new ATOM 63 N ASN A 51 -2.056 8.268 -3.859 1.00 0.00 N ATOM 64 CA ASN A 51 -2.497 7.415 -4.966 1.00 0.00 C ATOM 65 C ASN A 51 -1.803 6.069 -4.935 1.00 0.00 C ATOM 66 O ASN A 51 -2.464 5.035 -4.970 1.00 0.00 O ATOM 67 CB ASN A 51 -2.205 8.029 -6.349 1.00 0.00 C ATOM 68 CG ASN A 51 -3.441 8.046 -7.236 1.00 0.00 C ATOM 69 OD1 ASN A 51 -4.176 7.066 -7.323 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.659 9.126 -7.957 1.00 0.00 N ATOM 0 H ASN A 51 -1.583 9.121 -4.156 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.573 7.311 -4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.835 9.046 -6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.415 7.460 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.449 9.158 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.038 9.930 -7.871 1.00 0.00 H new ATOM 77 N ILE A 52 -0.463 6.077 -4.903 1.00 0.00 N ATOM 78 CA ILE A 52 0.289 4.841 -4.903 1.00 0.00 C ATOM 79 C ILE A 52 -0.058 4.001 -3.679 1.00 0.00 C ATOM 80 O ILE A 52 -0.151 2.783 -3.797 1.00 0.00 O ATOM 81 CB ILE A 52 1.808 5.071 -5.030 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.532 3.730 -5.207 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.389 5.740 -3.787 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.925 3.891 -5.804 1.00 0.00 C ATOM 0 H ILE A 52 0.106 6.923 -4.877 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.005 4.283 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 52 1.955 5.718 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.610 3.233 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.937 3.082 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.461 5.883 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.909 6.707 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.212 5.108 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.392 2.912 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.849 4.362 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.532 4.515 -5.148 1.00 0.00 H new ATOM 96 N VAL A 53 -0.234 4.649 -2.525 1.00 0.00 N ATOM 97 CA VAL A 53 -0.574 4.031 -1.261 1.00 0.00 C ATOM 98 C VAL A 53 -1.894 3.300 -1.459 1.00 0.00 C ATOM 99 O VAL A 53 -1.931 2.070 -1.369 1.00 0.00 O ATOM 100 CB VAL A 53 -0.604 5.144 -0.183 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.407 4.854 1.076 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.813 5.494 0.285 1.00 0.00 C ATOM 0 H VAL A 53 -0.137 5.662 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 53 0.151 3.292 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.102 5.959 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.349 5.709 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.448 4.672 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.000 3.973 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.763 6.277 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.285 4.608 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.400 5.845 -0.564 1.00 0.00 H new ATOM 112 N ASP A 54 -2.954 4.046 -1.754 1.00 0.00 N ATOM 113 CA ASP A 54 -4.316 3.576 -1.972 1.00 0.00 C ATOM 114 C ASP A 54 -4.358 2.393 -2.939 1.00 0.00 C ATOM 115 O ASP A 54 -4.893 1.331 -2.611 1.00 0.00 O ATOM 116 CB ASP A 54 -5.132 4.776 -2.463 1.00 0.00 C ATOM 117 CG ASP A 54 -6.591 4.459 -2.748 1.00 0.00 C ATOM 118 OD1 ASP A 54 -7.361 4.318 -1.764 1.00 0.00 O ATOM 119 OD2 ASP A 54 -6.955 4.515 -3.943 1.00 0.00 O ATOM 0 H ASP A 54 -2.879 5.058 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.747 3.194 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.083 5.566 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.672 5.168 -3.370 1.00 0.00 H new ATOM 124 N LYS A 55 -3.732 2.535 -4.108 1.00 0.00 N ATOM 125 CA LYS A 55 -3.704 1.497 -5.126 1.00 0.00 C ATOM 126 C LYS A 55 -2.906 0.293 -4.670 1.00 0.00 C ATOM 127 O LYS A 55 -3.387 -0.835 -4.840 1.00 0.00 O ATOM 128 CB LYS A 55 -3.179 2.086 -6.430 1.00 0.00 C ATOM 129 CG LYS A 55 -4.326 2.866 -7.081 1.00 0.00 C ATOM 130 CD LYS A 55 -3.876 3.684 -8.296 1.00 0.00 C ATOM 131 CE LYS A 55 -3.299 2.810 -9.420 1.00 0.00 C ATOM 132 NZ LYS A 55 -3.075 3.566 -10.672 1.00 0.00 N ATOM 0 H LYS A 55 -3.228 3.382 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.717 1.134 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.330 2.742 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.828 1.295 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.105 2.168 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.769 3.535 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.724 4.251 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.124 4.408 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.356 2.375 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.980 1.982 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.685 2.930 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.978 3.960 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.404 4.341 -10.495 1.00 0.00 H new ATOM 146 N THR A 56 -1.716 0.498 -4.102 1.00 0.00 N ATOM 147 CA THR A 56 -0.934 -0.628 -3.616 1.00 0.00 C ATOM 148 C THR A 56 -1.739 -1.406 -2.565 1.00 0.00 C ATOM 149 O THR A 56 -1.720 -2.640 -2.593 1.00 0.00 O ATOM 150 CB THR A 56 0.423 -0.141 -3.094 1.00 0.00 C ATOM 151 OG1 THR A 56 1.104 0.442 -4.182 1.00 0.00 O ATOM 152 CG2 THR A 56 1.263 -1.296 -2.533 1.00 0.00 C ATOM 0 H THR A 56 -1.285 1.413 -3.971 1.00 0.00 H new ATOM 0 HA THR A 56 -0.725 -1.319 -4.432 1.00 0.00 H new ATOM 0 HB THR A 56 0.265 0.571 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.891 1.397 -4.227 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.217 -0.911 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.728 -1.768 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.441 -2.031 -3.318 1.00 0.00 H new ATOM 160 N ALA A 57 -2.466 -0.718 -1.670 1.00 0.00 N ATOM 161 CA ALA A 57 -3.253 -1.400 -0.651 1.00 0.00 C ATOM 162 C ALA A 57 -4.299 -2.268 -1.340 1.00 0.00 C ATOM 163 O ALA A 57 -4.353 -3.441 -1.013 1.00 0.00 O ATOM 164 CB ALA A 57 -3.906 -0.448 0.344 1.00 0.00 C ATOM 0 H ALA A 57 -2.520 0.300 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.575 -2.018 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.477 -1.021 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.135 0.128 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.574 0.231 -0.186 1.00 0.00 H new ATOM 170 N SER A 58 -5.066 -1.760 -2.309 1.00 0.00 N ATOM 171 CA SER A 58 -6.079 -2.553 -3.009 1.00 0.00 C ATOM 172 C SER A 58 -5.538 -3.943 -3.381 1.00 0.00 C ATOM 173 O SER A 58 -6.083 -4.969 -2.986 1.00 0.00 O ATOM 174 CB SER A 58 -6.561 -1.780 -4.244 1.00 0.00 C ATOM 175 OG SER A 58 -7.628 -2.457 -4.871 1.00 0.00 O ATOM 0 H SER A 58 -5.003 -0.793 -2.628 1.00 0.00 H new ATOM 0 HA SER A 58 -6.929 -2.717 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.880 -0.780 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.737 -1.659 -4.947 1.00 0.00 H new ATOM 0 HG SER A 58 -8.449 -2.327 -4.351 1.00 0.00 H new ATOM 181 N PHE A 59 -4.396 -4.010 -4.060 1.00 0.00 N ATOM 182 CA PHE A 59 -3.823 -5.286 -4.462 1.00 0.00 C ATOM 183 C PHE A 59 -3.390 -6.157 -3.280 1.00 0.00 C ATOM 184 O PHE A 59 -3.652 -7.362 -3.283 1.00 0.00 O ATOM 185 CB PHE A 59 -2.647 -4.992 -5.380 1.00 0.00 C ATOM 186 CG PHE A 59 -2.210 -6.179 -6.201 1.00 0.00 C ATOM 187 CD1 PHE A 59 -1.363 -7.153 -5.641 1.00 0.00 C ATOM 188 CD2 PHE A 59 -2.697 -6.337 -7.512 1.00 0.00 C ATOM 189 CE1 PHE A 59 -1.029 -8.293 -6.388 1.00 0.00 C ATOM 190 CE2 PHE A 59 -2.350 -7.475 -8.258 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.528 -8.460 -7.689 1.00 0.00 C ATOM 0 H PHE A 59 -3.851 -3.195 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.589 -5.866 -4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.916 -4.176 -6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.806 -4.647 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.972 -7.024 -4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.338 -5.583 -7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.384 -9.046 -5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.715 -7.592 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.279 -9.347 -8.253 1.00 0.00 H new ATOM 201 N VAL A 60 -2.690 -5.579 -2.301 1.00 0.00 N ATOM 202 CA VAL A 60 -2.216 -6.276 -1.102 1.00 0.00 C ATOM 203 C VAL A 60 -3.408 -6.817 -0.298 1.00 0.00 C ATOM 204 O VAL A 60 -3.311 -7.861 0.335 1.00 0.00 O ATOM 205 CB VAL A 60 -1.259 -5.356 -0.331 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.835 -5.959 1.008 1.00 0.00 C ATOM 207 CG2 VAL A 60 0.015 -5.084 -1.147 1.00 0.00 C ATOM 0 H VAL A 60 -2.431 -4.593 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.633 -7.161 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.806 -4.430 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.158 -5.273 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.716 -6.127 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.327 -6.908 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.677 -4.430 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.524 -6.026 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.251 -4.603 -2.088 1.00 0.00 H new ATOM 217 N ALA A 61 -4.548 -6.146 -0.363 1.00 0.00 N ATOM 218 CA ALA A 61 -5.765 -6.516 0.314 1.00 0.00 C ATOM 219 C ALA A 61 -6.370 -7.713 -0.416 1.00 0.00 C ATOM 220 O ALA A 61 -6.756 -8.686 0.225 1.00 0.00 O ATOM 221 CB ALA A 61 -6.687 -5.289 0.287 1.00 0.00 C ATOM 0 H ALA A 61 -4.646 -5.294 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.601 -6.808 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.624 -5.527 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.201 -4.457 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.892 -5.010 -0.747 1.00 0.00 H new ATOM 227 N ARG A 62 -6.418 -7.668 -1.752 1.00 0.00 N ATOM 228 CA ARG A 62 -7.003 -8.761 -2.525 1.00 0.00 C ATOM 229 C ARG A 62 -6.190 -10.043 -2.499 1.00 0.00 C ATOM 230 O ARG A 62 -6.732 -11.141 -2.377 1.00 0.00 O ATOM 231 CB ARG A 62 -7.186 -8.313 -3.979 1.00 0.00 C ATOM 232 CG ARG A 62 -8.258 -7.233 -4.057 1.00 0.00 C ATOM 233 CD ARG A 62 -8.747 -7.056 -5.483 1.00 0.00 C ATOM 234 NE ARG A 62 -9.840 -6.078 -5.526 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.515 -5.735 -6.623 1.00 0.00 C ATOM 236 NH1 ARG A 62 -10.203 -6.270 -7.802 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.488 -4.842 -6.542 1.00 0.00 N ATOM 0 H ARG A 62 -6.062 -6.894 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.959 -8.991 -2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.244 -7.932 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.469 -9.164 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.095 -7.499 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.857 -6.290 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.926 -6.723 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.089 -8.012 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.103 -5.626 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.443 -6.947 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.724 -6.003 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.719 -4.419 -5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.007 -4.576 -7.379 1.00 0.00 H new ATOM 251 N ASN A 63 -4.885 -9.906 -2.672 1.00 0.00 N ATOM 252 CA ASN A 63 -3.987 -11.053 -2.713 1.00 0.00 C ATOM 253 C ASN A 63 -3.616 -11.551 -1.323 1.00 0.00 C ATOM 254 O ASN A 63 -3.639 -12.756 -1.084 1.00 0.00 O ATOM 255 CB ASN A 63 -2.725 -10.740 -3.523 1.00 0.00 C ATOM 256 CG ASN A 63 -3.003 -10.531 -5.005 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.624 -11.334 -5.850 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.666 -9.446 -5.371 1.00 0.00 N ATOM 0 H ASN A 63 -4.420 -9.006 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.532 -11.855 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.253 -9.845 -3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.013 -11.557 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.862 -9.277 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.981 -8.779 -4.667 1.00 0.00 H new ATOM 265 N GLY A 64 -3.290 -10.642 -0.405 1.00 0.00 N ATOM 266 CA GLY A 64 -2.907 -10.953 0.961 1.00 0.00 C ATOM 267 C GLY A 64 -1.677 -10.142 1.382 1.00 0.00 C ATOM 268 O GLY A 64 -0.968 -9.585 0.533 1.00 0.00 O ATOM 0 H GLY A 64 -3.287 -9.641 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.737 -10.738 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.693 -12.018 1.049 1.00 0.00 H new ATOM 272 N PRO A 65 -1.367 -10.107 2.691 1.00 0.00 N ATOM 273 CA PRO A 65 -0.237 -9.361 3.243 1.00 0.00 C ATOM 274 C PRO A 65 1.125 -9.823 2.734 1.00 0.00 C ATOM 275 O PRO A 65 2.118 -9.132 2.964 1.00 0.00 O ATOM 276 CB PRO A 65 -0.350 -9.470 4.762 1.00 0.00 C ATOM 277 CG PRO A 65 -1.187 -10.726 4.967 1.00 0.00 C ATOM 278 CD PRO A 65 -2.119 -10.738 3.760 1.00 0.00 C ATOM 0 HA PRO A 65 -0.291 -8.324 2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.629 -9.559 5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.831 -8.592 5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.565 -11.621 5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.744 -10.688 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.404 -11.756 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.040 -10.193 3.968 1.00 0.00 H new ATOM 286 N GLU A 66 1.198 -10.967 2.053 1.00 0.00 N ATOM 287 CA GLU A 66 2.455 -11.445 1.502 1.00 0.00 C ATOM 288 C GLU A 66 2.942 -10.467 0.434 1.00 0.00 C ATOM 289 O GLU A 66 4.145 -10.273 0.273 1.00 0.00 O ATOM 290 CB GLU A 66 2.305 -12.844 0.897 1.00 0.00 C ATOM 291 CG GLU A 66 1.220 -12.985 -0.197 1.00 0.00 C ATOM 292 CD GLU A 66 1.483 -14.110 -1.204 1.00 0.00 C ATOM 293 OE1 GLU A 66 2.457 -14.894 -1.042 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.752 -14.187 -2.207 1.00 0.00 O ATOM 0 H GLU A 66 0.399 -11.575 1.873 1.00 0.00 H new ATOM 0 HA GLU A 66 3.183 -11.508 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.264 -13.142 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.079 -13.546 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.257 -13.160 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.140 -12.041 -0.737 1.00 0.00 H new ATOM 301 N PHE A 67 2.011 -9.835 -0.292 1.00 0.00 N ATOM 302 CA PHE A 67 2.357 -8.890 -1.332 1.00 0.00 C ATOM 303 C PHE A 67 2.958 -7.647 -0.721 1.00 0.00 C ATOM 304 O PHE A 67 3.751 -6.984 -1.375 1.00 0.00 O ATOM 305 CB PHE A 67 1.174 -8.572 -2.241 1.00 0.00 C ATOM 306 CG PHE A 67 1.211 -9.441 -3.468 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.013 -9.054 -4.558 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.524 -10.662 -3.486 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.088 -9.870 -5.699 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.586 -11.472 -4.634 1.00 0.00 C ATOM 311 CZ PHE A 67 1.354 -11.069 -5.744 1.00 0.00 C ATOM 0 H PHE A 67 1.008 -9.971 -0.168 1.00 0.00 H new ATOM 0 HA PHE A 67 3.108 -9.351 -1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.240 -8.731 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.201 -7.521 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.571 -8.130 -4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.048 -10.978 -2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.705 -9.579 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.043 -12.405 -4.665 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.379 -11.683 -6.632 1.00 0.00 H new ATOM 321 N GLU A 68 2.595 -7.333 0.518 1.00 0.00 N ATOM 322 CA GLU A 68 3.125 -6.178 1.198 1.00 0.00 C ATOM 323 C GLU A 68 4.628 -6.365 1.352 1.00 0.00 C ATOM 324 O GLU A 68 5.388 -5.446 1.073 1.00 0.00 O ATOM 325 CB GLU A 68 2.444 -6.067 2.567 1.00 0.00 C ATOM 326 CG GLU A 68 2.519 -4.672 3.172 1.00 0.00 C ATOM 327 CD GLU A 68 1.461 -4.514 4.260 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.262 -4.446 3.919 1.00 0.00 O ATOM 329 OE2 GLU A 68 1.816 -4.389 5.462 1.00 0.00 O ATOM 0 H GLU A 68 1.928 -7.874 1.068 1.00 0.00 H new ATOM 0 HA GLU A 68 2.937 -5.263 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.398 -6.355 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.907 -6.777 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.511 -4.502 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.368 -3.922 2.396 1.00 0.00 H new ATOM 336 N ALA A 69 5.046 -7.558 1.785 1.00 0.00 N ATOM 337 CA ALA A 69 6.444 -7.881 1.987 1.00 0.00 C ATOM 338 C ALA A 69 7.149 -8.085 0.652 1.00 0.00 C ATOM 339 O ALA A 69 8.282 -7.642 0.496 1.00 0.00 O ATOM 340 CB ALA A 69 6.575 -9.147 2.835 1.00 0.00 C ATOM 0 H ALA A 69 4.412 -8.326 2.004 1.00 0.00 H new ATOM 0 HA ALA A 69 6.914 -7.047 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.630 -9.380 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.102 -8.987 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.087 -9.978 2.326 1.00 0.00 H new ATOM 346 N ARG A 70 6.509 -8.769 -0.303 1.00 0.00 N ATOM 347 CA ARG A 70 7.079 -9.020 -1.619 1.00 0.00 C ATOM 348 C ARG A 70 7.392 -7.687 -2.279 1.00 0.00 C ATOM 349 O ARG A 70 8.547 -7.420 -2.591 1.00 0.00 O ATOM 350 CB ARG A 70 6.110 -9.836 -2.477 1.00 0.00 C ATOM 351 CG ARG A 70 6.120 -11.346 -2.175 1.00 0.00 C ATOM 352 CD ARG A 70 4.785 -11.938 -2.653 1.00 0.00 C ATOM 353 NE ARG A 70 4.689 -13.415 -2.588 1.00 0.00 N ATOM 354 CZ ARG A 70 5.105 -14.283 -3.524 1.00 0.00 C ATOM 355 NH1 ARG A 70 5.823 -13.883 -4.569 1.00 0.00 N ATOM 356 NH2 ARG A 70 4.787 -15.567 -3.428 1.00 0.00 N ATOM 0 H ARG A 70 5.577 -9.163 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 70 7.997 -9.599 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.100 -9.454 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.357 -9.685 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.954 -11.830 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.253 -11.520 -1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.981 -11.511 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.615 -11.624 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 70 4.265 -13.812 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.069 -12.898 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.128 -14.561 -5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.226 -15.896 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.104 -16.225 -4.140 1.00 0.00 H new ATOM 370 N ILE A 71 6.372 -6.856 -2.495 1.00 0.00 N ATOM 371 CA ILE A 71 6.523 -5.561 -3.141 1.00 0.00 C ATOM 372 C ILE A 71 7.554 -4.729 -2.383 1.00 0.00 C ATOM 373 O ILE A 71 8.494 -4.232 -3.005 1.00 0.00 O ATOM 374 CB ILE A 71 5.162 -4.838 -3.278 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.151 -5.638 -4.134 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.373 -3.468 -3.940 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.701 -5.195 -3.902 1.00 0.00 C ATOM 0 H ILE A 71 5.412 -7.068 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 71 6.890 -5.707 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 71 4.754 -4.734 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.399 -5.519 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.244 -6.699 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.414 -2.959 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.043 -2.866 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.812 -3.605 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.035 -5.789 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.440 -5.340 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.597 -4.141 -4.160 1.00 0.00 H new ATOM 389 N ARG A 72 7.413 -4.603 -1.058 1.00 0.00 N ATOM 390 CA ARG A 72 8.340 -3.815 -0.261 1.00 0.00 C ATOM 391 C ARG A 72 9.772 -4.259 -0.451 1.00 0.00 C ATOM 392 O ARG A 72 10.615 -3.405 -0.673 1.00 0.00 O ATOM 393 CB ARG A 72 7.952 -3.866 1.218 1.00 0.00 C ATOM 394 CG ARG A 72 8.752 -2.873 2.062 1.00 0.00 C ATOM 395 CD ARG A 72 8.169 -2.821 3.475 1.00 0.00 C ATOM 396 NE ARG A 72 8.679 -3.886 4.337 1.00 0.00 N ATOM 397 CZ ARG A 72 8.329 -4.056 5.613 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.371 -3.304 6.159 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.956 -4.973 6.335 1.00 0.00 N ATOM 0 H ARG A 72 6.663 -5.040 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 72 8.273 -2.784 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.888 -3.652 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.112 -4.875 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.799 -3.172 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.720 -1.883 1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.400 -1.855 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.083 -2.894 3.418 1.00 0.00 H new ATOM 0 HE ARG A 72 9.348 -4.543 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.900 -2.593 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.110 -3.441 7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.694 -5.537 5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.700 -5.115 7.312 1.00 0.00 H new ATOM 413 N GLN A 73 10.066 -5.557 -0.375 1.00 0.00 N ATOM 414 CA GLN A 73 11.430 -6.035 -0.528 1.00 0.00 C ATOM 415 C GLN A 73 11.942 -5.934 -1.961 1.00 0.00 C ATOM 416 O GLN A 73 13.150 -5.795 -2.153 1.00 0.00 O ATOM 417 CB GLN A 73 11.533 -7.477 -0.016 1.00 0.00 C ATOM 418 CG GLN A 73 12.915 -7.847 0.543 1.00 0.00 C ATOM 419 CD GLN A 73 13.408 -6.899 1.632 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.023 -7.002 2.795 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.266 -5.948 1.290 1.00 0.00 N ATOM 0 H GLN A 73 9.377 -6.290 -0.209 1.00 0.00 H new ATOM 0 HA GLN A 73 12.069 -5.385 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.785 -7.629 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.288 -8.159 -0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.876 -8.859 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.637 -7.856 -0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.581 -5.869 0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.611 -5.295 1.994 1.00 0.00 H new ATOM 430 N ASN A 74 11.057 -6.015 -2.954 1.00 0.00 N ATOM 431 CA ASN A 74 11.440 -5.937 -4.360 1.00 0.00 C ATOM 432 C ASN A 74 11.841 -4.516 -4.750 1.00 0.00 C ATOM 433 O ASN A 74 12.882 -4.305 -5.378 1.00 0.00 O ATOM 434 CB ASN A 74 10.286 -6.358 -5.296 1.00 0.00 C ATOM 435 CG ASN A 74 10.161 -7.865 -5.453 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.111 -8.524 -5.874 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.999 -8.425 -5.178 1.00 0.00 N ATOM 0 H ASN A 74 10.055 -6.136 -2.805 1.00 0.00 H new ATOM 0 HA ASN A 74 12.283 -6.619 -4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.348 -5.961 -4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.440 -5.909 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.872 -9.428 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.228 -7.855 -4.830 1.00 0.00 H new ATOM 444 N GLU A 75 11.007 -3.549 -4.375 1.00 0.00 N ATOM 445 CA GLU A 75 11.128 -2.122 -4.657 1.00 0.00 C ATOM 446 C GLU A 75 11.791 -1.330 -3.514 1.00 0.00 C ATOM 447 O GLU A 75 11.817 -0.101 -3.552 1.00 0.00 O ATOM 448 CB GLU A 75 9.704 -1.589 -4.919 1.00 0.00 C ATOM 449 CG GLU A 75 8.890 -2.316 -6.014 1.00 0.00 C ATOM 450 CD GLU A 75 9.179 -1.847 -7.441 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.340 -1.489 -7.746 1.00 0.00 O ATOM 452 OE2 GLU A 75 8.264 -1.931 -8.301 1.00 0.00 O ATOM 0 H GLU A 75 10.171 -3.757 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 75 11.778 -1.989 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.143 -1.639 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.778 -0.536 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.093 -3.385 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.828 -2.180 -5.809 1.00 0.00 H new ATOM 459 N ILE A 76 12.377 -2.012 -2.524 1.00 0.00 N ATOM 460 CA ILE A 76 13.027 -1.445 -1.335 1.00 0.00 C ATOM 461 C ILE A 76 14.039 -0.323 -1.595 1.00 0.00 C ATOM 462 O ILE A 76 14.297 0.500 -0.713 1.00 0.00 O ATOM 463 CB ILE A 76 13.684 -2.598 -0.529 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.114 -2.203 0.899 1.00 0.00 C ATOM 465 CG2 ILE A 76 14.865 -3.237 -1.287 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.984 -1.626 1.755 1.00 0.00 C ATOM 0 H ILE A 76 12.413 -3.031 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 76 12.236 -0.955 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 76 12.894 -3.341 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.523 -3.081 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.918 -1.469 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.293 -4.038 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.512 -3.644 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.626 -2.481 -1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.369 -1.374 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.589 -0.728 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.188 -2.364 1.853 1.00 0.00 H new ATOM 478 N ASN A 77 14.645 -0.291 -2.780 1.00 0.00 N ATOM 479 CA ASN A 77 15.644 0.710 -3.127 1.00 0.00 C ATOM 480 C ASN A 77 15.037 1.980 -3.720 1.00 0.00 C ATOM 481 O ASN A 77 15.797 2.843 -4.156 1.00 0.00 O ATOM 482 CB ASN A 77 16.703 0.089 -4.046 1.00 0.00 C ATOM 483 CG ASN A 77 17.378 -1.093 -3.370 1.00 0.00 C ATOM 484 OD1 ASN A 77 18.003 -0.951 -2.324 1.00 0.00 O ATOM 485 ND2 ASN A 77 17.198 -2.292 -3.892 1.00 0.00 N ATOM 0 H ASN A 77 14.455 -0.961 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 77 16.128 1.031 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.238 -0.236 -4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.449 0.839 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 77 17.581 -3.114 -3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.676 -2.396 -4.762 1.00 0.00 H new ATOM 492 N ASN A 78 13.708 2.117 -3.763 1.00 0.00 N ATOM 493 CA ASN A 78 13.022 3.287 -4.306 1.00 0.00 C ATOM 494 C ASN A 78 12.142 3.902 -3.221 1.00 0.00 C ATOM 495 O ASN A 78 11.304 3.202 -2.645 1.00 0.00 O ATOM 496 CB ASN A 78 12.203 2.906 -5.550 1.00 0.00 C ATOM 497 CG ASN A 78 13.016 3.096 -6.823 1.00 0.00 C ATOM 498 OD1 ASN A 78 14.174 2.694 -6.911 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.420 3.699 -7.836 1.00 0.00 N ATOM 0 H ASN A 78 13.069 1.402 -3.414 1.00 0.00 H new ATOM 0 HA ASN A 78 13.757 4.029 -4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.881 1.868 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.301 3.517 -5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.922 3.839 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.458 4.025 -7.741 1.00 0.00 H new ATOM 506 N PRO A 79 12.264 5.217 -2.969 1.00 0.00 N ATOM 507 CA PRO A 79 11.491 5.903 -1.943 1.00 0.00 C ATOM 508 C PRO A 79 9.996 5.925 -2.255 1.00 0.00 C ATOM 509 O PRO A 79 9.181 6.046 -1.338 1.00 0.00 O ATOM 510 CB PRO A 79 12.126 7.284 -1.797 1.00 0.00 C ATOM 511 CG PRO A 79 12.778 7.525 -3.152 1.00 0.00 C ATOM 512 CD PRO A 79 13.193 6.138 -3.600 1.00 0.00 C ATOM 0 HA PRO A 79 11.529 5.378 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.380 8.046 -1.570 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.859 7.305 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.083 7.982 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.635 8.193 -3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.152 6.050 -4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.219 5.923 -3.301 1.00 0.00 H new ATOM 520 N LYS A 80 9.610 5.718 -3.521 1.00 0.00 N ATOM 521 CA LYS A 80 8.211 5.679 -3.930 1.00 0.00 C ATOM 522 C LYS A 80 7.441 4.598 -3.178 1.00 0.00 C ATOM 523 O LYS A 80 6.230 4.738 -3.039 1.00 0.00 O ATOM 524 CB LYS A 80 8.095 5.390 -5.438 1.00 0.00 C ATOM 525 CG LYS A 80 7.990 6.672 -6.271 1.00 0.00 C ATOM 526 CD LYS A 80 7.227 6.446 -7.577 1.00 0.00 C ATOM 527 CE LYS A 80 7.917 5.427 -8.486 1.00 0.00 C ATOM 528 NZ LYS A 80 7.263 5.337 -9.805 1.00 0.00 N ATOM 0 H LYS A 80 10.266 5.573 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 80 7.785 6.655 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.964 4.818 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.218 4.769 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.488 7.444 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.991 7.042 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.218 6.102 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.129 7.394 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.962 5.706 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.906 4.448 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.760 4.636 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.272 5.046 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.295 6.265 -10.273 1.00 0.00 H new ATOM 542 N PHE A 81 8.121 3.555 -2.699 1.00 0.00 N ATOM 543 CA PHE A 81 7.562 2.421 -1.980 1.00 0.00 C ATOM 544 C PHE A 81 7.864 2.458 -0.489 1.00 0.00 C ATOM 545 O PHE A 81 7.550 1.499 0.222 1.00 0.00 O ATOM 546 CB PHE A 81 8.147 1.161 -2.608 1.00 0.00 C ATOM 547 CG PHE A 81 7.599 0.900 -4.000 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.108 1.582 -5.124 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.533 -0.004 -4.162 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.562 1.346 -6.397 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.021 -0.271 -5.442 1.00 0.00 C ATOM 552 CZ PHE A 81 6.544 0.394 -6.561 1.00 0.00 C ATOM 0 H PHE A 81 9.132 3.480 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 81 6.475 2.446 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.232 1.254 -2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.930 0.305 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.918 2.286 -5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.107 -0.494 -3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.926 1.898 -7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.224 -0.989 -5.565 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.164 0.174 -7.548 1.00 0.00 H new ATOM 562 N ASN A 82 8.491 3.520 0.015 1.00 0.00 N ATOM 563 CA ASN A 82 8.811 3.629 1.430 1.00 0.00 C ATOM 564 C ASN A 82 7.559 3.592 2.299 1.00 0.00 C ATOM 565 O ASN A 82 7.673 3.191 3.451 1.00 0.00 O ATOM 566 CB ASN A 82 9.663 4.859 1.705 1.00 0.00 C ATOM 567 CG ASN A 82 11.145 4.616 1.476 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.574 3.615 0.904 1.00 0.00 O ATOM 569 ND2 ASN A 82 11.967 5.545 1.917 1.00 0.00 N ATOM 0 H ASN A 82 8.788 4.320 -0.544 1.00 0.00 H new ATOM 0 HA ASN A 82 9.403 2.756 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.331 5.675 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.508 5.179 2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.973 5.440 1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.598 6.370 2.390 1.00 0.00 H new ATOM 576 N PHE A 83 6.371 3.900 1.760 1.00 0.00 N ATOM 577 CA PHE A 83 5.115 3.863 2.505 1.00 0.00 C ATOM 578 C PHE A 83 4.839 2.453 3.054 1.00 0.00 C ATOM 579 O PHE A 83 4.071 2.299 4.006 1.00 0.00 O ATOM 580 CB PHE A 83 3.955 4.372 1.633 1.00 0.00 C ATOM 581 CG PHE A 83 3.620 3.506 0.428 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.797 2.373 0.578 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.122 3.820 -0.850 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.529 1.543 -0.524 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.892 2.964 -1.934 1.00 0.00 C ATOM 586 CZ PHE A 83 3.106 1.819 -1.772 1.00 0.00 C ATOM 0 H PHE A 83 6.259 4.183 0.787 1.00 0.00 H new ATOM 0 HA PHE A 83 5.203 4.530 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.065 4.459 2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.198 5.375 1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.371 2.141 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.689 4.728 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.877 0.690 -0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.323 3.189 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.944 1.150 -2.604 1.00 0.00 H new ATOM 596 N LEU A 84 5.431 1.413 2.451 1.00 0.00 N ATOM 597 CA LEU A 84 5.275 0.029 2.882 1.00 0.00 C ATOM 598 C LEU A 84 6.074 -0.214 4.166 1.00 0.00 C ATOM 599 O LEU A 84 5.758 -1.137 4.924 1.00 0.00 O ATOM 600 CB LEU A 84 5.696 -0.924 1.754 1.00 0.00 C ATOM 601 CG LEU A 84 4.757 -0.898 0.537 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.307 -1.769 -0.595 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.373 -1.421 0.930 1.00 0.00 C ATOM 0 H LEU A 84 6.039 1.518 1.639 1.00 0.00 H new ATOM 0 HA LEU A 84 4.226 -0.168 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.704 -0.665 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.739 -1.940 2.146 1.00 0.00 H new ATOM 0 HG LEU A 84 4.684 0.134 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.625 -1.734 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.285 -1.396 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.403 -2.798 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.715 -1.399 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.461 -2.445 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.956 -0.792 1.717 1.00 0.00 H new ATOM 615 N ASN A 85 7.157 0.536 4.385 1.00 0.00 N ATOM 616 CA ASN A 85 7.972 0.459 5.587 1.00 0.00 C ATOM 617 C ASN A 85 7.322 1.384 6.622 1.00 0.00 C ATOM 618 O ASN A 85 6.682 2.374 6.270 1.00 0.00 O ATOM 619 CB ASN A 85 9.410 0.946 5.352 1.00 0.00 C ATOM 620 CG ASN A 85 10.338 -0.190 4.970 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.841 -0.919 5.826 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.540 -0.408 3.686 1.00 0.00 N ATOM 0 H ASN A 85 7.494 1.226 3.714 1.00 0.00 H new ATOM 0 HA ASN A 85 8.024 -0.580 5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.414 1.698 4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.781 1.430 6.256 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.121 -1.191 3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.115 0.206 2.991 1.00 0.00 H new ATOM 629 N PRO A 86 7.535 1.127 7.916 1.00 0.00 N ATOM 630 CA PRO A 86 6.974 1.931 8.991 1.00 0.00 C ATOM 631 C PRO A 86 7.617 3.318 9.118 1.00 0.00 C ATOM 632 O PRO A 86 7.060 4.171 9.813 1.00 0.00 O ATOM 633 CB PRO A 86 7.216 1.107 10.257 1.00 0.00 C ATOM 634 CG PRO A 86 8.450 0.274 9.917 1.00 0.00 C ATOM 635 CD PRO A 86 8.276 -0.003 8.433 1.00 0.00 C ATOM 0 HA PRO A 86 5.920 2.136 8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.390 1.746 11.123 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.360 0.476 10.494 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.373 0.817 10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.488 -0.647 10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.241 -0.101 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.736 -0.936 8.268 1.00 0.00 H new ATOM 643 N ASN A 87 8.761 3.558 8.475 1.00 0.00 N ATOM 644 CA ASN A 87 9.472 4.830 8.540 1.00 0.00 C ATOM 645 C ASN A 87 8.764 5.972 7.810 1.00 0.00 C ATOM 646 O ASN A 87 9.102 7.127 8.061 1.00 0.00 O ATOM 647 CB ASN A 87 10.901 4.649 8.013 1.00 0.00 C ATOM 648 CG ASN A 87 11.789 4.031 9.077 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.156 4.695 10.042 1.00 0.00 O ATOM 650 ND2 ASN A 87 12.117 2.759 8.965 1.00 0.00 N ATOM 0 H ASN A 87 9.223 2.864 7.888 1.00 0.00 H new ATOM 0 HA ASN A 87 9.495 5.125 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.890 4.014 7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.307 5.614 7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.684 2.313 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.804 2.221 8.157 1.00 0.00 H new ATOM 657 N ASP A 88 7.804 5.697 6.924 1.00 0.00 N ATOM 658 CA ASP A 88 7.094 6.763 6.212 1.00 0.00 C ATOM 659 C ASP A 88 5.869 7.187 7.030 1.00 0.00 C ATOM 660 O ASP A 88 5.223 6.351 7.672 1.00 0.00 O ATOM 661 CB ASP A 88 6.689 6.314 4.798 1.00 0.00 C ATOM 662 CG ASP A 88 7.590 6.892 3.697 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.767 7.221 3.967 1.00 0.00 O ATOM 664 OD2 ASP A 88 7.123 6.994 2.539 1.00 0.00 O ATOM 0 H ASP A 88 7.502 4.753 6.683 1.00 0.00 H new ATOM 0 HA ASP A 88 7.760 7.618 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.718 5.226 4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.658 6.615 4.610 1.00 0.00 H new ATOM 669 N PRO A 89 5.489 8.474 6.987 1.00 0.00 N ATOM 670 CA PRO A 89 4.352 9.000 7.731 1.00 0.00 C ATOM 671 C PRO A 89 3.027 8.491 7.170 1.00 0.00 C ATOM 672 O PRO A 89 2.045 8.341 7.904 1.00 0.00 O ATOM 673 CB PRO A 89 4.464 10.521 7.616 1.00 0.00 C ATOM 674 CG PRO A 89 5.338 10.779 6.394 1.00 0.00 C ATOM 675 CD PRO A 89 6.171 9.520 6.249 1.00 0.00 C ATOM 0 HA PRO A 89 4.368 8.673 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.482 10.978 7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.910 10.950 8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.734 10.959 5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.968 11.657 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.276 9.246 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.176 9.675 6.640 1.00 0.00 H new ATOM 683 N TYR A 90 2.983 8.227 5.863 1.00 0.00 N ATOM 684 CA TYR A 90 1.805 7.728 5.171 1.00 0.00 C ATOM 685 C TYR A 90 1.568 6.254 5.477 1.00 0.00 C ATOM 686 O TYR A 90 0.493 5.753 5.157 1.00 0.00 O ATOM 687 CB TYR A 90 1.953 7.944 3.663 1.00 0.00 C ATOM 688 CG TYR A 90 1.828 9.399 3.268 1.00 0.00 C ATOM 689 CD1 TYR A 90 2.932 10.262 3.389 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.599 9.898 2.800 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.814 11.612 3.028 1.00 0.00 C ATOM 692 CE2 TYR A 90 0.482 11.243 2.413 1.00 0.00 C ATOM 693 CZ TYR A 90 1.595 12.107 2.514 1.00 0.00 C ATOM 694 OH TYR A 90 1.507 13.400 2.092 1.00 0.00 O ATOM 0 H TYR A 90 3.786 8.359 5.247 1.00 0.00 H new ATOM 0 HA TYR A 90 0.939 8.285 5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.923 7.566 3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.193 7.363 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.873 9.884 3.761 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.258 9.244 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.658 12.276 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.459 11.617 2.038 1.00 0.00 H new ATOM 0 HH TYR A 90 0.600 13.577 1.767 1.00 0.00 H new ATOM 704 N HIS A 91 2.523 5.566 6.114 1.00 0.00 N ATOM 705 CA HIS A 91 2.381 4.158 6.447 1.00 0.00 C ATOM 706 C HIS A 91 1.095 3.915 7.236 1.00 0.00 C ATOM 707 O HIS A 91 0.309 3.055 6.864 1.00 0.00 O ATOM 708 CB HIS A 91 3.597 3.682 7.240 1.00 0.00 C ATOM 709 CG HIS A 91 3.532 2.209 7.553 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.852 1.213 6.667 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.142 1.618 8.727 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.710 0.042 7.304 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.265 0.234 8.564 1.00 0.00 N ATOM 0 H HIS A 91 3.410 5.975 6.409 1.00 0.00 H new ATOM 0 HA HIS A 91 2.321 3.586 5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.504 3.891 6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.666 4.247 8.170 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.145 1.340 5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.802 2.128 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.923 -0.923 6.869 1.00 0.00 H new ATOM 721 N ALA A 92 0.838 4.690 8.295 1.00 0.00 N ATOM 722 CA ALA A 92 -0.359 4.519 9.114 1.00 0.00 C ATOM 723 C ALA A 92 -1.654 4.588 8.300 1.00 0.00 C ATOM 724 O ALA A 92 -2.605 3.880 8.628 1.00 0.00 O ATOM 725 CB ALA A 92 -0.357 5.552 10.237 1.00 0.00 C ATOM 0 H ALA A 92 1.450 5.446 8.604 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.329 3.516 9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.250 5.426 10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.530 5.415 10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.349 6.555 9.809 1.00 0.00 H new ATOM 731 N TYR A 93 -1.689 5.454 7.285 1.00 0.00 N ATOM 732 CA TYR A 93 -2.825 5.624 6.393 1.00 0.00 C ATOM 733 C TYR A 93 -2.878 4.414 5.457 1.00 0.00 C ATOM 734 O TYR A 93 -3.952 3.858 5.252 1.00 0.00 O ATOM 735 CB TYR A 93 -2.694 6.977 5.681 1.00 0.00 C ATOM 736 CG TYR A 93 -3.480 7.148 4.398 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.884 7.251 4.403 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.778 7.237 3.187 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.581 7.495 3.204 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.469 7.444 1.983 1.00 0.00 C ATOM 741 CZ TYR A 93 -4.871 7.600 1.984 1.00 0.00 C ATOM 742 OH TYR A 93 -5.495 7.902 0.814 1.00 0.00 O ATOM 0 H TYR A 93 -0.907 6.069 7.060 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.777 5.653 6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.002 7.759 6.376 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.640 7.145 5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.428 7.143 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.702 7.146 3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.656 7.602 3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.925 7.484 1.051 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.836 7.929 0.089 1.00 0.00 H new ATOM 752 N TYR A 94 -1.731 3.958 4.937 1.00 0.00 N ATOM 753 CA TYR A 94 -1.668 2.799 4.055 1.00 0.00 C ATOM 754 C TYR A 94 -2.274 1.578 4.756 1.00 0.00 C ATOM 755 O TYR A 94 -3.025 0.813 4.147 1.00 0.00 O ATOM 756 CB TYR A 94 -0.216 2.513 3.607 1.00 0.00 C ATOM 757 CG TYR A 94 -0.076 1.194 2.868 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.287 1.077 1.483 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.169 0.035 3.614 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.289 -0.180 0.858 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.128 -1.222 3.002 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.104 -1.343 1.627 1.00 0.00 C ATOM 763 OH TYR A 94 -0.166 -2.582 1.077 1.00 0.00 O ATOM 0 H TYR A 94 -0.824 4.387 5.120 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.249 3.015 3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.127 3.323 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.434 2.505 4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.450 1.966 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.391 0.112 4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.432 -0.254 -0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.277 -2.110 3.598 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.351 -2.505 0.118 1.00 0.00 H new ATOM 773 N ARG A 95 -1.960 1.401 6.044 1.00 0.00 N ATOM 774 CA ARG A 95 -2.469 0.284 6.834 1.00 0.00 C ATOM 775 C ARG A 95 -3.989 0.309 6.875 1.00 0.00 C ATOM 776 O ARG A 95 -4.597 -0.743 6.679 1.00 0.00 O ATOM 777 CB ARG A 95 -1.874 0.268 8.250 1.00 0.00 C ATOM 778 CG ARG A 95 -0.343 0.121 8.297 1.00 0.00 C ATOM 779 CD ARG A 95 0.223 -1.086 7.538 1.00 0.00 C ATOM 780 NE ARG A 95 -0.072 -2.342 8.227 1.00 0.00 N ATOM 781 CZ ARG A 95 0.472 -2.739 9.379 1.00 0.00 C ATOM 782 NH1 ARG A 95 1.460 -2.048 9.950 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.003 -3.827 9.956 1.00 0.00 N ATOM 0 H ARG A 95 -1.347 2.029 6.564 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.154 -0.639 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.154 1.191 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.323 -0.553 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.105 1.028 7.891 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.033 0.052 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.198 -1.114 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.302 -0.975 7.429 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.750 -2.967 7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.812 -1.200 9.506 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.863 -2.368 10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.768 -4.343 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.395 -4.152 10.837 1.00 0.00 H new ATOM 797 N HIS A 96 -4.595 1.477 7.102 1.00 0.00 N ATOM 798 CA HIS A 96 -6.045 1.615 7.136 1.00 0.00 C ATOM 799 C HIS A 96 -6.631 1.128 5.821 1.00 0.00 C ATOM 800 O HIS A 96 -7.581 0.346 5.813 1.00 0.00 O ATOM 801 CB HIS A 96 -6.423 3.090 7.366 1.00 0.00 C ATOM 802 CG HIS A 96 -7.895 3.370 7.216 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.919 2.817 7.947 1.00 0.00 N ATOM 804 CD2 HIS A 96 -8.457 4.154 6.244 1.00 0.00 C ATOM 805 CE1 HIS A 96 -10.067 3.281 7.438 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.847 4.100 6.389 1.00 0.00 N ATOM 0 H HIS A 96 -4.092 2.349 7.266 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.447 1.016 7.953 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.107 3.385 8.367 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.871 3.711 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.920 4.717 5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.046 3.031 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.546 4.579 5.822 1.00 0.00 H new ATOM 814 N LYS A 97 -6.056 1.581 4.702 1.00 0.00 N ATOM 815 CA LYS A 97 -6.540 1.196 3.392 1.00 0.00 C ATOM 816 C LYS A 97 -6.526 -0.305 3.216 1.00 0.00 C ATOM 817 O LYS A 97 -7.499 -0.795 2.672 1.00 0.00 O ATOM 818 CB LYS A 97 -5.707 1.819 2.283 1.00 0.00 C ATOM 819 CG LYS A 97 -5.643 3.351 2.300 1.00 0.00 C ATOM 820 CD LYS A 97 -6.999 4.022 2.501 1.00 0.00 C ATOM 821 CE LYS A 97 -7.954 3.686 1.358 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.077 4.633 1.331 1.00 0.00 N ATOM 0 H LYS A 97 -5.256 2.214 4.688 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.565 1.561 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.692 1.428 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.111 1.498 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.969 3.668 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.212 3.698 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.432 3.698 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.868 5.102 2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.420 3.719 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.330 2.670 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.717 4.390 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.596 4.582 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.714 5.598 1.195 1.00 0.00 H new ATOM 836 N VAL A 98 -5.483 -1.020 3.643 1.00 0.00 N ATOM 837 CA VAL A 98 -5.422 -2.470 3.488 1.00 0.00 C ATOM 838 C VAL A 98 -6.707 -3.097 4.006 1.00 0.00 C ATOM 839 O VAL A 98 -7.455 -3.681 3.227 1.00 0.00 O ATOM 840 CB VAL A 98 -4.181 -3.057 4.184 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.219 -4.600 4.180 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.875 -2.493 3.590 1.00 0.00 C ATOM 0 H VAL A 98 -4.667 -0.614 4.101 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.327 -2.706 2.428 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.201 -2.743 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.330 -4.987 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.109 -4.943 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.245 -4.961 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.021 -2.931 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.822 -2.739 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.857 -1.410 3.713 1.00 0.00 H new ATOM 852 N SER A 99 -6.970 -2.953 5.302 1.00 0.00 N ATOM 853 CA SER A 99 -8.151 -3.507 5.925 1.00 0.00 C ATOM 854 C SER A 99 -9.421 -3.036 5.198 1.00 0.00 C ATOM 855 O SER A 99 -10.302 -3.843 4.930 1.00 0.00 O ATOM 856 CB SER A 99 -8.125 -3.054 7.388 1.00 0.00 C ATOM 857 OG SER A 99 -7.026 -3.611 8.101 1.00 0.00 O ATOM 0 H SER A 99 -6.363 -2.445 5.945 1.00 0.00 H new ATOM 0 HA SER A 99 -8.160 -4.595 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.070 -1.966 7.429 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.057 -3.345 7.874 1.00 0.00 H new ATOM 0 HG SER A 99 -7.045 -3.296 9.029 1.00 0.00 H new ATOM 863 N GLU A 100 -9.519 -1.766 4.808 1.00 0.00 N ATOM 864 CA GLU A 100 -10.691 -1.243 4.114 1.00 0.00 C ATOM 865 C GLU A 100 -10.912 -1.900 2.762 1.00 0.00 C ATOM 866 O GLU A 100 -12.041 -2.295 2.460 1.00 0.00 O ATOM 867 CB GLU A 100 -10.577 0.282 3.986 1.00 0.00 C ATOM 868 CG GLU A 100 -11.574 1.014 4.894 1.00 0.00 C ATOM 869 CD GLU A 100 -11.844 0.354 6.266 1.00 0.00 C ATOM 870 OE1 GLU A 100 -11.125 0.570 7.264 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.823 -0.405 6.400 1.00 0.00 O ATOM 0 H GLU A 100 -8.788 -1.072 4.965 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.570 -1.486 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.563 0.592 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.750 0.572 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.206 2.026 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.521 1.105 4.363 1.00 0.00 H new ATOM 878 N PHE A 101 -9.859 -2.028 1.952 1.00 0.00 N ATOM 879 CA PHE A 101 -9.981 -2.660 0.657 1.00 0.00 C ATOM 880 C PHE A 101 -10.343 -4.131 0.823 1.00 0.00 C ATOM 881 O PHE A 101 -11.022 -4.699 -0.031 1.00 0.00 O ATOM 882 CB PHE A 101 -8.724 -2.469 -0.198 1.00 0.00 C ATOM 883 CG PHE A 101 -8.705 -1.180 -1.004 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.281 -1.121 -2.291 1.00 0.00 C ATOM 885 CD2 PHE A 101 -8.039 -0.055 -0.494 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.163 0.051 -3.065 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.911 1.106 -1.270 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.482 1.166 -2.549 1.00 0.00 C ATOM 0 H PHE A 101 -8.920 -1.701 2.178 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.790 -2.170 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.850 -2.490 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.632 -3.313 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.813 -1.975 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.623 -0.084 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.596 0.092 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.371 1.957 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.398 2.068 -3.137 1.00 0.00 H new ATOM 898 N LYS A 102 -9.898 -4.754 1.915 1.00 0.00 N ATOM 899 CA LYS A 102 -10.201 -6.151 2.207 1.00 0.00 C ATOM 900 C LYS A 102 -11.675 -6.284 2.543 1.00 0.00 C ATOM 901 O LYS A 102 -12.315 -7.256 2.148 1.00 0.00 O ATOM 902 CB LYS A 102 -9.368 -6.621 3.393 1.00 0.00 C ATOM 903 CG LYS A 102 -7.942 -6.898 2.941 1.00 0.00 C ATOM 904 CD LYS A 102 -6.995 -7.351 4.042 1.00 0.00 C ATOM 905 CE LYS A 102 -6.550 -8.766 3.705 1.00 0.00 C ATOM 906 NZ LYS A 102 -5.765 -9.411 4.772 1.00 0.00 N ATOM 0 H LYS A 102 -9.317 -4.302 2.621 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.965 -6.762 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.371 -5.862 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.805 -7.522 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.965 -7.663 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.539 -5.993 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.136 -6.684 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.493 -7.326 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.430 -9.374 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.955 -8.742 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.496 -10.370 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.907 -8.853 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.337 -9.465 5.639 1.00 0.00 H new ATOM 920 N GLU A 103 -12.222 -5.313 3.269 1.00 0.00 N ATOM 921 CA GLU A 103 -13.626 -5.322 3.637 1.00 0.00 C ATOM 922 C GLU A 103 -14.507 -4.992 2.427 1.00 0.00 C ATOM 923 O GLU A 103 -15.725 -5.166 2.490 1.00 0.00 O ATOM 924 CB GLU A 103 -13.901 -4.265 4.709 1.00 0.00 C ATOM 925 CG GLU A 103 -13.057 -4.412 5.980 1.00 0.00 C ATOM 926 CD GLU A 103 -13.879 -4.470 7.255 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.822 -5.286 7.352 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.582 -3.689 8.191 1.00 0.00 O ATOM 0 H GLU A 103 -11.705 -4.505 3.615 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.859 -6.319 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.722 -3.278 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.955 -4.308 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.456 -5.318 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.363 -3.574 6.044 1.00 0.00 H new ATOM 935 N GLY A 104 -13.904 -4.488 1.345 1.00 0.00 N ATOM 936 CA GLY A 104 -14.583 -4.114 0.117 1.00 0.00 C ATOM 937 C GLY A 104 -15.580 -2.988 0.374 1.00 0.00 C ATOM 938 O GLY A 104 -16.679 -3.027 -0.178 1.00 0.00 O ATOM 0 H GLY A 104 -12.897 -4.327 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.852 -3.797 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.102 -4.979 -0.295 1.00 0.00 H new ATOM 942 N LYS A 105 -15.232 -2.007 1.222 1.00 0.00 N ATOM 943 CA LYS A 105 -16.131 -0.896 1.548 1.00 0.00 C ATOM 944 C LYS A 105 -15.624 0.479 1.135 1.00 0.00 C ATOM 945 O LYS A 105 -16.453 1.385 1.021 1.00 0.00 O ATOM 946 CB LYS A 105 -16.472 -0.919 3.046 1.00 0.00 C ATOM 947 CG LYS A 105 -15.387 -0.263 3.912 1.00 0.00 C ATOM 948 CD LYS A 105 -15.742 -0.226 5.392 1.00 0.00 C ATOM 949 CE LYS A 105 -15.485 -1.579 6.063 1.00 0.00 C ATOM 950 NZ LYS A 105 -15.090 -1.434 7.476 1.00 0.00 N ATOM 0 H LYS A 105 -14.329 -1.964 1.695 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.029 -1.057 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.419 -0.404 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.612 -1.951 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.451 -0.806 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.216 0.755 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.155 0.546 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.791 0.047 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.385 -2.191 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.701 -2.108 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.976 -2.375 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.190 -0.916 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.825 -0.908 7.990 1.00 0.00 H new ATOM 964 N ALA A 106 -14.308 0.687 1.046 1.00 0.00 N ATOM 965 CA ALA A 106 -13.751 1.970 0.653 1.00 0.00 C ATOM 966 C ALA A 106 -14.090 2.258 -0.806 1.00 0.00 C ATOM 967 O ALA A 106 -14.570 1.410 -1.560 1.00 0.00 O ATOM 968 CB ALA A 106 -12.234 1.984 0.870 1.00 0.00 C ATOM 0 H ALA A 106 -13.608 -0.028 1.244 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.189 2.751 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.833 2.952 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.016 1.811 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.773 1.199 0.270 1.00 0.00 H new ATOM 974 N GLN A 107 -13.851 3.505 -1.172 1.00 0.00 N ATOM 975 CA GLN A 107 -14.076 4.008 -2.512 1.00 0.00 C ATOM 976 C GLN A 107 -12.871 3.611 -3.354 1.00 0.00 C ATOM 977 O GLN A 107 -11.760 4.056 -3.066 1.00 0.00 O ATOM 978 CB GLN A 107 -14.268 5.539 -2.533 1.00 0.00 C ATOM 979 CG GLN A 107 -13.301 6.349 -1.652 1.00 0.00 C ATOM 980 CD GLN A 107 -13.786 6.466 -0.223 1.00 0.00 C ATOM 981 OE1 GLN A 107 -13.078 5.865 0.713 1.00 0.00 O flip ATOM 982 NE2 GLN A 107 -14.807 7.084 0.051 1.00 0.00 N flip ATOM 0 H GLN A 107 -13.487 4.210 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.995 3.579 -2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.168 5.884 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.288 5.762 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.320 5.875 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.177 7.346 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.340 7.542 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.124 7.141 1.019 1.00 0.00 H new