USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 14 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -171:sc=-0.00322 (180deg=-0.0991) USER MOD Set 2.1: A 8 GLN : amide:sc= 0.84 K(o=0.84,f=0.034) USER MOD Set 2.2: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -119:sc= -0.078 (180deg=-0.242) USER MOD Single : A 5 TYR OH : rot 157:sc= 1.26 USER MOD Single : A 11 ASN : amide:sc= 0.945 K(o=0.94,f=-6!) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 21 SER OG : rot 180:sc= 0.122 USER MOD Single : A 25 THR OG1 : rot 33:sc= 1.28 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 2:sc= 1.22 USER MOD Single : A 36 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=-0.093) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0134) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 1.1 K(o=1.1,f=-2.9!) USER MOD Single : A 55 ASN : amide:sc= -0.139 K(o=-0.14,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.585 11.710 5.725 1.00 0.00 N ATOM 2 CA VAL A 1 7.035 10.493 5.081 1.00 0.00 C ATOM 3 C VAL A 1 5.954 9.900 5.949 1.00 0.00 C ATOM 4 O VAL A 1 5.841 10.205 7.138 1.00 0.00 O ATOM 5 CB VAL A 1 8.127 9.443 4.796 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.152 10.004 3.782 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.828 8.942 6.084 1.00 0.00 C ATOM 0 H1 VAL A 1 7.426 12.532 5.107 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.110 11.865 6.637 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.606 11.588 5.883 1.00 0.00 H new ATOM 0 HA VAL A 1 6.613 10.788 4.120 1.00 0.00 H new ATOM 0 HB VAL A 1 7.636 8.573 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.919 9.254 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.644 10.253 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.617 10.901 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.587 8.205 5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.299 9.783 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.091 8.485 6.745 1.00 0.00 H new ATOM 19 N ARG A 2 5.140 8.998 5.356 1.00 0.00 N ATOM 20 CA ARG A 2 4.246 8.138 6.082 1.00 0.00 C ATOM 21 C ARG A 2 4.967 6.822 6.137 1.00 0.00 C ATOM 22 O ARG A 2 5.783 6.518 5.266 1.00 0.00 O ATOM 23 CB ARG A 2 2.886 7.828 5.387 1.00 0.00 C ATOM 24 CG ARG A 2 1.969 9.022 5.046 1.00 0.00 C ATOM 25 CD ARG A 2 2.195 9.612 3.635 1.00 0.00 C ATOM 26 NE ARG A 2 0.896 9.756 2.875 1.00 0.00 N ATOM 27 CZ ARG A 2 0.025 10.802 3.029 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.216 11.760 3.976 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.057 10.878 2.196 1.00 0.00 N ATOM 0 H ARG A 2 5.103 8.864 4.346 1.00 0.00 H new ATOM 0 HA ARG A 2 4.009 8.630 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.096 7.291 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.327 7.148 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.930 8.704 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.124 9.808 5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.677 10.586 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.874 8.969 3.076 1.00 0.00 H new ATOM 0 HE ARG A 2 0.652 9.027 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.025 11.711 4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.450 12.527 4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.201 10.166 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.720 11.647 2.290 1.00 0.00 H new ATOM 43 N ASP A 3 4.639 5.980 7.133 1.00 0.00 N ATOM 44 CA ASP A 3 4.993 4.589 7.133 1.00 0.00 C ATOM 45 C ASP A 3 3.604 4.083 7.292 1.00 0.00 C ATOM 46 O ASP A 3 2.915 4.548 8.202 1.00 0.00 O ATOM 47 CB ASP A 3 5.850 4.139 8.342 1.00 0.00 C ATOM 48 CG ASP A 3 7.185 4.881 8.330 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.932 4.731 7.329 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.480 5.606 9.317 1.00 0.00 O ATOM 0 H ASP A 3 4.115 6.270 7.959 1.00 0.00 H new ATOM 0 HA ASP A 3 5.594 4.265 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.319 4.341 9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.020 3.063 8.299 1.00 0.00 H new ATOM 55 N GLY A 4 3.104 3.247 6.362 1.00 0.00 N ATOM 56 CA GLY A 4 1.718 2.900 6.411 1.00 0.00 C ATOM 57 C GLY A 4 1.601 1.676 5.593 1.00 0.00 C ATOM 58 O GLY A 4 2.594 1.176 5.069 1.00 0.00 O ATOM 0 H GLY A 4 3.638 2.825 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.392 2.722 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.096 3.702 6.013 1.00 0.00 H new ATOM 62 N TYR A 5 0.354 1.205 5.416 1.00 0.00 N ATOM 63 CA TYR A 5 0.020 0.157 4.492 1.00 0.00 C ATOM 64 C TYR A 5 -0.245 0.886 3.219 1.00 0.00 C ATOM 65 O TYR A 5 -0.893 1.925 3.246 1.00 0.00 O ATOM 66 CB TYR A 5 -1.278 -0.596 4.853 1.00 0.00 C ATOM 67 CG TYR A 5 -1.054 -1.625 5.917 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.115 -1.279 7.277 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.866 -2.968 5.560 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.055 -2.272 8.262 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.830 -3.962 6.542 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.964 -3.619 7.895 1.00 0.00 C ATOM 73 OH TYR A 5 -1.076 -4.620 8.884 1.00 0.00 O ATOM 0 H TYR A 5 -0.451 1.563 5.931 1.00 0.00 H new ATOM 0 HA TYR A 5 0.818 -0.585 4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.029 0.118 5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.677 -1.078 3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.209 -0.242 7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.748 -3.236 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.079 -1.998 9.306 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.699 -4.996 6.258 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.362 -5.460 8.468 1.00 0.00 H new ATOM 83 N ILE A 6 0.276 0.383 2.089 1.00 0.00 N ATOM 84 CA ILE A 6 0.143 0.992 0.802 1.00 0.00 C ATOM 85 C ILE A 6 -1.109 0.427 0.178 1.00 0.00 C ATOM 86 O ILE A 6 -1.424 -0.774 0.318 1.00 0.00 O ATOM 87 CB ILE A 6 1.395 0.885 -0.075 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.322 1.793 -1.330 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.715 -0.583 -0.413 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.603 1.841 -2.174 1.00 0.00 C ATOM 0 H ILE A 6 0.813 -0.484 2.069 1.00 0.00 H new ATOM 0 HA ILE A 6 0.043 2.072 0.909 1.00 0.00 H new ATOM 0 HB ILE A 6 2.234 1.266 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.502 1.449 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.076 2.806 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.608 -0.627 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.888 -1.139 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.876 -1.024 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.452 2.502 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.426 2.217 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.843 0.839 -2.529 1.00 0.00 H new ATOM 102 N ALA A 7 -1.830 1.369 -0.480 1.00 0.00 N ATOM 103 CA ALA A 7 -3.040 1.183 -1.212 1.00 0.00 C ATOM 104 C ALA A 7 -2.702 1.398 -2.644 1.00 0.00 C ATOM 105 O ALA A 7 -1.542 1.412 -3.036 1.00 0.00 O ATOM 106 CB ALA A 7 -4.133 2.208 -0.871 1.00 0.00 C ATOM 0 H ALA A 7 -1.529 2.344 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.424 0.191 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.023 2.003 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.381 2.137 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.772 3.212 -1.092 1.00 0.00 H new ATOM 112 N GLN A 8 -3.737 1.652 -3.457 1.00 0.00 N ATOM 113 CA GLN A 8 -3.608 2.182 -4.776 1.00 0.00 C ATOM 114 C GLN A 8 -4.108 3.570 -4.493 1.00 0.00 C ATOM 115 O GLN A 8 -4.930 3.694 -3.580 1.00 0.00 O ATOM 116 CB GLN A 8 -4.503 1.432 -5.778 1.00 0.00 C ATOM 117 CG GLN A 8 -4.125 -0.052 -5.859 1.00 0.00 C ATOM 118 CD GLN A 8 -5.236 -0.793 -6.589 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.538 -0.473 -7.744 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.867 -1.792 -5.909 1.00 0.00 N ATOM 0 H GLN A 8 -4.705 1.481 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.619 2.118 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.547 1.528 -5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.410 1.888 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.179 -0.174 -6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.988 -0.463 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.582 -2.020 -4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.624 -2.312 -6.353 1.00 0.00 H new ATOM 129 N PRO A 9 -3.607 4.611 -5.150 1.00 0.00 N ATOM 130 CA PRO A 9 -3.244 5.839 -4.454 1.00 0.00 C ATOM 131 C PRO A 9 -4.405 6.739 -4.153 1.00 0.00 C ATOM 132 O PRO A 9 -4.186 7.782 -3.543 1.00 0.00 O ATOM 133 CB PRO A 9 -2.259 6.546 -5.407 1.00 0.00 C ATOM 134 CG PRO A 9 -2.535 5.928 -6.782 1.00 0.00 C ATOM 135 CD PRO A 9 -2.884 4.491 -6.417 1.00 0.00 C ATOM 0 HA PRO A 9 -2.824 5.603 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.423 7.624 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.226 6.383 -5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.354 6.429 -7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.665 5.983 -7.437 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.500 4.023 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.989 3.878 -6.309 1.00 0.00 H new ATOM 143 N GLU A 10 -5.628 6.397 -4.592 1.00 0.00 N ATOM 144 CA GLU A 10 -6.785 7.220 -4.350 1.00 0.00 C ATOM 145 C GLU A 10 -7.396 6.744 -3.066 1.00 0.00 C ATOM 146 O GLU A 10 -7.720 7.543 -2.191 1.00 0.00 O ATOM 147 CB GLU A 10 -7.793 7.168 -5.519 1.00 0.00 C ATOM 148 CG GLU A 10 -7.166 7.691 -6.827 1.00 0.00 C ATOM 149 CD GLU A 10 -8.196 7.768 -7.957 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.336 7.267 -7.779 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.846 8.346 -9.021 1.00 0.00 O ATOM 0 H GLU A 10 -5.823 5.546 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.493 8.267 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.134 6.143 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.671 7.764 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.739 8.679 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.347 7.037 -7.125 1.00 0.00 H new ATOM 158 N ASN A 11 -7.542 5.414 -2.933 1.00 0.00 N ATOM 159 CA ASN A 11 -7.867 4.708 -1.733 1.00 0.00 C ATOM 160 C ASN A 11 -8.087 3.365 -2.337 1.00 0.00 C ATOM 161 O ASN A 11 -8.629 3.284 -3.444 1.00 0.00 O ATOM 162 CB ASN A 11 -9.158 5.097 -0.965 1.00 0.00 C ATOM 163 CG ASN A 11 -9.193 4.371 0.382 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.227 3.711 0.790 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.343 4.512 1.099 1.00 0.00 N ATOM 0 H ASN A 11 -7.423 4.785 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.103 4.868 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.189 6.175 -0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.037 4.834 -1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.433 4.064 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.113 5.065 0.724 1.00 0.00 H new ATOM 172 N CYS A 12 -7.672 2.310 -1.628 1.00 0.00 N ATOM 173 CA CYS A 12 -7.793 0.920 -1.990 1.00 0.00 C ATOM 174 C CYS A 12 -6.994 0.173 -0.981 1.00 0.00 C ATOM 175 O CYS A 12 -6.752 0.701 0.103 1.00 0.00 O ATOM 176 CB CYS A 12 -7.446 0.533 -3.462 1.00 0.00 C ATOM 177 SG CYS A 12 -8.637 -0.585 -4.262 1.00 0.00 S ATOM 0 H CYS A 12 -7.212 2.428 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.849 0.651 -1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.372 1.445 -4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.463 0.063 -3.476 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.249 -0.835 -5.477 1.00 0.00 H new ATOM 182 N VAL A 13 -6.549 -1.049 -1.329 1.00 0.00 N ATOM 183 CA VAL A 13 -5.407 -1.672 -0.751 1.00 0.00 C ATOM 184 C VAL A 13 -4.691 -1.948 -2.030 1.00 0.00 C ATOM 185 O VAL A 13 -5.336 -2.033 -3.076 1.00 0.00 O ATOM 186 CB VAL A 13 -5.652 -2.964 0.006 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.129 -2.598 1.420 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.648 -3.897 -0.711 1.00 0.00 C ATOM 0 H VAL A 13 -7.005 -1.621 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.921 -1.070 0.017 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.722 -3.531 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.314 -3.509 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.363 -2.006 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.050 -2.018 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.784 -4.805 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.606 -3.390 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.259 -4.157 -1.695 1.00 0.00 H new ATOM 198 N TYR A 14 -3.350 -2.086 -1.987 1.00 0.00 N ATOM 199 CA TYR A 14 -2.602 -2.653 -3.073 1.00 0.00 C ATOM 200 C TYR A 14 -2.463 -4.021 -2.519 1.00 0.00 C ATOM 201 O TYR A 14 -2.268 -4.137 -1.315 1.00 0.00 O ATOM 202 CB TYR A 14 -1.163 -2.077 -3.272 1.00 0.00 C ATOM 203 CG TYR A 14 -0.865 -1.561 -4.656 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.344 -2.188 -5.825 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.008 -0.468 -4.793 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.009 -1.687 -7.092 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.346 0.032 -6.053 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.171 -0.570 -7.207 1.00 0.00 C ATOM 209 OH TYR A 14 0.149 -0.062 -8.485 1.00 0.00 O ATOM 0 H TYR A 14 -2.778 -1.802 -1.191 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.078 -2.499 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.011 -1.267 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.440 -2.856 -3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.974 -3.061 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.424 -0.007 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.398 -2.163 -7.980 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.006 0.883 -6.137 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.592 -0.237 -9.102 1.00 0.00 H new ATOM 219 N HIS A 15 -2.547 -5.081 -3.345 1.00 0.00 N ATOM 220 CA HIS A 15 -2.395 -6.417 -2.832 1.00 0.00 C ATOM 221 C HIS A 15 -0.917 -6.661 -2.794 1.00 0.00 C ATOM 222 O HIS A 15 -0.119 -5.788 -3.140 1.00 0.00 O ATOM 223 CB HIS A 15 -3.146 -7.495 -3.650 1.00 0.00 C ATOM 224 CG HIS A 15 -4.640 -7.405 -3.449 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.425 -6.443 -4.026 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.444 -8.146 -2.649 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.668 -6.598 -3.590 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.707 -7.628 -2.756 1.00 0.00 N ATOM 0 H HIS A 15 -2.717 -5.021 -4.349 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.849 -6.496 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.913 -7.377 -4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.798 -8.485 -3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.145 -8.987 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.512 -5.984 -3.869 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.537 -7.976 -2.276 1.00 0.00 H new ATOM 237 N CYS A 16 -0.499 -7.841 -2.325 1.00 0.00 N ATOM 238 CA CYS A 16 0.872 -8.137 -2.107 1.00 0.00 C ATOM 239 C CYS A 16 0.795 -9.573 -2.441 1.00 0.00 C ATOM 240 O CYS A 16 -0.307 -10.127 -2.499 1.00 0.00 O ATOM 241 CB CYS A 16 1.328 -7.926 -0.644 1.00 0.00 C ATOM 242 SG CYS A 16 3.124 -8.065 -0.379 1.00 0.00 S ATOM 0 H CYS A 16 -1.130 -8.608 -2.092 1.00 0.00 H new ATOM 0 HA CYS A 16 1.581 -7.522 -2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.001 -6.940 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.824 -8.657 -0.012 1.00 0.00 H new ATOM 247 N PHE A 17 1.942 -10.200 -2.699 1.00 0.00 N ATOM 248 CA PHE A 17 2.007 -11.535 -3.169 1.00 0.00 C ATOM 249 C PHE A 17 2.924 -12.085 -2.134 1.00 0.00 C ATOM 250 O PHE A 17 3.917 -11.405 -1.891 1.00 0.00 O ATOM 251 CB PHE A 17 2.723 -11.592 -4.537 1.00 0.00 C ATOM 252 CG PHE A 17 1.931 -10.828 -5.564 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.812 -11.427 -6.164 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.266 -9.503 -5.913 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.035 -10.722 -7.090 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.493 -8.795 -6.841 1.00 0.00 C ATOM 257 CZ PHE A 17 0.376 -9.406 -7.427 1.00 0.00 C ATOM 0 H PHE A 17 2.856 -9.764 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 17 1.046 -12.033 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.724 -11.170 -4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.840 -12.629 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.548 -12.443 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.126 -9.031 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.825 -11.191 -7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.757 -7.781 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.224 -8.860 -8.141 1.00 0.00 H new ATOM 267 N PRO A 18 2.702 -13.226 -1.485 1.00 0.00 N ATOM 268 CA PRO A 18 3.647 -13.772 -0.515 1.00 0.00 C ATOM 269 C PRO A 18 4.968 -14.189 -1.127 1.00 0.00 C ATOM 270 O PRO A 18 5.891 -14.528 -0.390 1.00 0.00 O ATOM 271 CB PRO A 18 2.912 -14.985 0.063 1.00 0.00 C ATOM 272 CG PRO A 18 1.440 -14.559 0.056 1.00 0.00 C ATOM 273 CD PRO A 18 1.333 -13.658 -1.180 1.00 0.00 C ATOM 0 HA PRO A 18 3.922 -13.025 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.073 -15.876 -0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.256 -15.218 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.774 -15.419 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.173 -14.024 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.898 -14.199 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.688 -12.801 -0.984 1.00 0.00 H new ATOM 281 N GLY A 19 5.085 -14.149 -2.473 1.00 0.00 N ATOM 282 CA GLY A 19 6.349 -14.086 -3.158 1.00 0.00 C ATOM 283 C GLY A 19 6.485 -12.616 -3.382 1.00 0.00 C ATOM 284 O GLY A 19 5.998 -12.092 -4.380 1.00 0.00 O ATOM 0 H GLY A 19 4.281 -14.161 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.164 -14.488 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.338 -14.645 -4.093 1.00 0.00 H new ATOM 288 N SER A 20 7.099 -11.924 -2.398 1.00 0.00 N ATOM 289 CA SER A 20 7.012 -10.509 -2.137 1.00 0.00 C ATOM 290 C SER A 20 7.471 -9.611 -3.244 1.00 0.00 C ATOM 291 O SER A 20 7.140 -8.422 -3.245 1.00 0.00 O ATOM 292 CB SER A 20 7.821 -10.192 -0.862 1.00 0.00 C ATOM 293 OG SER A 20 7.543 -11.183 0.128 1.00 0.00 O ATOM 0 H SER A 20 7.708 -12.393 -1.728 1.00 0.00 H new ATOM 0 HA SER A 20 5.948 -10.298 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.887 -10.175 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.559 -9.203 -0.487 1.00 0.00 H new ATOM 0 HG SER A 20 8.056 -10.987 0.940 1.00 0.00 H new ATOM 299 N SER A 21 8.207 -10.173 -4.224 1.00 0.00 N ATOM 300 CA SER A 21 8.841 -9.538 -5.345 1.00 0.00 C ATOM 301 C SER A 21 7.978 -8.527 -6.046 1.00 0.00 C ATOM 302 O SER A 21 8.424 -7.420 -6.335 1.00 0.00 O ATOM 303 CB SER A 21 9.291 -10.628 -6.346 1.00 0.00 C ATOM 304 OG SER A 21 9.659 -11.808 -5.627 1.00 0.00 O ATOM 0 H SER A 21 8.374 -11.179 -4.230 1.00 0.00 H new ATOM 0 HA SER A 21 9.692 -8.981 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.485 -10.851 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.135 -10.270 -6.936 1.00 0.00 H new ATOM 0 HG SER A 21 9.943 -12.501 -6.259 1.00 0.00 H new ATOM 310 N GLY A 22 6.696 -8.888 -6.293 1.00 0.00 N ATOM 311 CA GLY A 22 5.773 -8.058 -7.035 1.00 0.00 C ATOM 312 C GLY A 22 5.514 -6.751 -6.345 1.00 0.00 C ATOM 313 O GLY A 22 5.649 -5.688 -6.957 1.00 0.00 O ATOM 0 H GLY A 22 6.292 -9.768 -5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.175 -7.869 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.832 -8.591 -7.167 1.00 0.00 H new ATOM 317 N CYS A 23 5.172 -6.794 -5.032 1.00 0.00 N ATOM 318 CA CYS A 23 4.848 -5.585 -4.304 1.00 0.00 C ATOM 319 C CYS A 23 6.119 -4.855 -3.993 1.00 0.00 C ATOM 320 O CYS A 23 6.102 -3.640 -3.835 1.00 0.00 O ATOM 321 CB CYS A 23 4.034 -5.756 -2.991 1.00 0.00 C ATOM 322 SG CYS A 23 3.406 -4.147 -2.369 1.00 0.00 S ATOM 0 H CYS A 23 5.120 -7.650 -4.480 1.00 0.00 H new ATOM 0 HA CYS A 23 4.185 -5.031 -4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.196 -6.430 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.662 -6.220 -2.231 1.00 0.00 H new ATOM 327 N ASP A 24 7.270 -5.558 -3.937 1.00 0.00 N ATOM 328 CA ASP A 24 8.551 -4.918 -3.746 1.00 0.00 C ATOM 329 C ASP A 24 8.805 -3.976 -4.904 1.00 0.00 C ATOM 330 O ASP A 24 9.094 -2.798 -4.696 1.00 0.00 O ATOM 331 CB ASP A 24 9.702 -5.943 -3.616 1.00 0.00 C ATOM 332 CG ASP A 24 10.928 -5.292 -2.977 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.996 -5.280 -1.719 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.803 -4.802 -3.737 1.00 0.00 O ATOM 0 H ASP A 24 7.318 -6.573 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 24 8.522 -4.361 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.376 -6.790 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.962 -6.334 -4.600 1.00 0.00 H new ATOM 339 N THR A 25 8.608 -4.444 -6.156 1.00 0.00 N ATOM 340 CA THR A 25 8.667 -3.562 -7.300 1.00 0.00 C ATOM 341 C THR A 25 7.635 -2.445 -7.260 1.00 0.00 C ATOM 342 O THR A 25 7.966 -1.312 -7.605 1.00 0.00 O ATOM 343 CB THR A 25 8.584 -4.301 -8.622 1.00 0.00 C ATOM 344 OG1 THR A 25 7.827 -5.507 -8.528 1.00 0.00 O ATOM 345 CG2 THR A 25 10.021 -4.686 -9.029 1.00 0.00 C ATOM 0 H THR A 25 8.410 -5.419 -6.380 1.00 0.00 H new ATOM 0 HA THR A 25 9.652 -3.100 -7.231 1.00 0.00 H new ATOM 0 HB THR A 25 8.094 -3.649 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.107 -5.391 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.999 -5.221 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.623 -3.784 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.457 -5.326 -8.262 1.00 0.00 H new ATOM 353 N LEU A 26 6.380 -2.715 -6.819 1.00 0.00 N ATOM 354 CA LEU A 26 5.339 -1.702 -6.755 1.00 0.00 C ATOM 355 C LEU A 26 5.698 -0.639 -5.755 1.00 0.00 C ATOM 356 O LEU A 26 5.560 0.557 -6.002 1.00 0.00 O ATOM 357 CB LEU A 26 3.957 -2.251 -6.326 1.00 0.00 C ATOM 358 CG LEU A 26 3.315 -3.254 -7.313 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.019 -3.843 -6.722 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.071 -2.642 -8.707 1.00 0.00 C ATOM 0 H LEU A 26 6.080 -3.638 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 26 5.269 -1.313 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.061 -2.736 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.276 -1.411 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 26 4.029 -4.065 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.582 -4.546 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.247 -4.361 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.310 -3.039 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.619 -3.390 -9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.401 -1.787 -8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.020 -2.316 -9.132 1.00 0.00 H new ATOM 372 N CYS A 27 6.193 -1.068 -4.578 1.00 0.00 N ATOM 373 CA CYS A 27 6.598 -0.218 -3.486 1.00 0.00 C ATOM 374 C CYS A 27 7.669 0.731 -3.954 1.00 0.00 C ATOM 375 O CYS A 27 7.575 1.937 -3.727 1.00 0.00 O ATOM 376 CB CYS A 27 7.113 -1.039 -2.270 1.00 0.00 C ATOM 377 SG CYS A 27 7.193 -0.109 -0.717 1.00 0.00 S ATOM 0 H CYS A 27 6.319 -2.059 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 27 5.723 0.342 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.463 -1.902 -2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.107 -1.423 -2.501 1.00 0.00 H new ATOM 382 N LYS A 28 8.690 0.210 -4.674 1.00 0.00 N ATOM 383 CA LYS A 28 9.800 1.013 -5.131 1.00 0.00 C ATOM 384 C LYS A 28 9.400 2.020 -6.177 1.00 0.00 C ATOM 385 O LYS A 28 9.919 3.134 -6.183 1.00 0.00 O ATOM 386 CB LYS A 28 10.972 0.173 -5.688 1.00 0.00 C ATOM 387 CG LYS A 28 11.693 -0.610 -4.582 1.00 0.00 C ATOM 388 CD LYS A 28 13.013 -1.235 -5.047 1.00 0.00 C ATOM 389 CE LYS A 28 13.795 -1.869 -3.889 1.00 0.00 C ATOM 390 NZ LYS A 28 15.091 -2.403 -4.360 1.00 0.00 N ATOM 0 H LYS A 28 8.748 -0.772 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 28 10.135 1.536 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.596 -0.522 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.683 0.830 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.890 0.057 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.035 -1.398 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.807 -1.993 -5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.627 -0.470 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.964 -1.126 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.207 -2.671 -3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.603 -2.827 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.924 -3.127 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.658 -1.631 -4.764 1.00 0.00 H new ATOM 404 N GLU A 29 8.469 1.675 -7.098 1.00 0.00 N ATOM 405 CA GLU A 29 8.101 2.586 -8.169 1.00 0.00 C ATOM 406 C GLU A 29 7.184 3.677 -7.673 1.00 0.00 C ATOM 407 O GLU A 29 7.108 4.743 -8.282 1.00 0.00 O ATOM 408 CB GLU A 29 7.472 1.899 -9.409 1.00 0.00 C ATOM 409 CG GLU A 29 6.132 1.199 -9.158 1.00 0.00 C ATOM 410 CD GLU A 29 5.645 0.517 -10.433 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.337 1.247 -11.411 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.569 -0.741 -10.442 1.00 0.00 O ATOM 0 H GLU A 29 7.975 0.783 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 29 9.046 3.017 -8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.332 2.649 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.180 1.166 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.242 0.462 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.392 1.925 -8.820 1.00 0.00 H new ATOM 419 N LYS A 30 6.467 3.445 -6.548 1.00 0.00 N ATOM 420 CA LYS A 30 5.631 4.451 -5.934 1.00 0.00 C ATOM 421 C LYS A 30 6.487 5.277 -5.013 1.00 0.00 C ATOM 422 O LYS A 30 6.294 6.486 -4.895 1.00 0.00 O ATOM 423 CB LYS A 30 4.438 3.857 -5.149 1.00 0.00 C ATOM 424 CG LYS A 30 3.436 3.099 -6.048 1.00 0.00 C ATOM 425 CD LYS A 30 2.707 3.991 -7.073 1.00 0.00 C ATOM 426 CE LYS A 30 1.792 3.231 -8.041 1.00 0.00 C ATOM 427 NZ LYS A 30 2.568 2.297 -8.893 1.00 0.00 N ATOM 0 H LYS A 30 6.466 2.551 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 30 5.200 5.059 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.816 3.178 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.915 4.661 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.968 2.311 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.695 2.611 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.112 4.729 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.450 4.540 -7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.043 2.675 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.255 3.941 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.951 1.911 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.362 2.805 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.935 1.518 -8.309 1.00 0.00 H new ATOM 441 N GLY A 31 7.489 4.637 -4.374 1.00 0.00 N ATOM 442 CA GLY A 31 8.561 5.344 -3.727 1.00 0.00 C ATOM 443 C GLY A 31 8.492 5.097 -2.267 1.00 0.00 C ATOM 444 O GLY A 31 8.653 6.017 -1.469 1.00 0.00 O ATOM 0 H GLY A 31 7.558 3.622 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.522 5.012 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.485 6.412 -3.932 1.00 0.00 H new ATOM 448 N GLY A 32 8.262 3.826 -1.880 1.00 0.00 N ATOM 449 CA GLY A 32 8.504 3.351 -0.550 1.00 0.00 C ATOM 450 C GLY A 32 9.733 2.533 -0.724 1.00 0.00 C ATOM 451 O GLY A 32 9.962 1.976 -1.798 1.00 0.00 O ATOM 0 H GLY A 32 7.898 3.110 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.657 4.170 0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.671 2.758 -0.172 1.00 0.00 H new ATOM 455 N THR A 33 10.578 2.467 0.322 1.00 0.00 N ATOM 456 CA THR A 33 11.929 1.976 0.197 1.00 0.00 C ATOM 457 C THR A 33 11.922 0.489 -0.041 1.00 0.00 C ATOM 458 O THR A 33 12.600 -0.039 -0.924 1.00 0.00 O ATOM 459 CB THR A 33 12.731 2.324 1.439 1.00 0.00 C ATOM 460 OG1 THR A 33 12.471 3.682 1.786 1.00 0.00 O ATOM 461 CG2 THR A 33 14.240 2.147 1.174 1.00 0.00 C ATOM 0 H THR A 33 10.327 2.756 1.268 1.00 0.00 H new ATOM 0 HA THR A 33 12.403 2.456 -0.659 1.00 0.00 H new ATOM 0 HB THR A 33 12.439 1.660 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.982 3.918 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.800 2.401 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.442 1.111 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.546 2.804 0.360 1.00 0.00 H new ATOM 469 N SER A 34 11.140 -0.245 0.762 1.00 0.00 N ATOM 470 CA SER A 34 10.826 -1.611 0.522 1.00 0.00 C ATOM 471 C SER A 34 9.621 -1.697 1.391 1.00 0.00 C ATOM 472 O SER A 34 9.179 -0.672 1.927 1.00 0.00 O ATOM 473 CB SER A 34 11.937 -2.608 0.906 1.00 0.00 C ATOM 474 OG SER A 34 12.987 -2.505 -0.049 1.00 0.00 O ATOM 0 H SER A 34 10.711 0.127 1.609 1.00 0.00 H new ATOM 0 HA SER A 34 10.688 -1.879 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.312 -2.390 1.906 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.543 -3.624 0.928 1.00 0.00 H new ATOM 0 HG SER A 34 12.772 -1.802 -0.697 1.00 0.00 H new ATOM 480 N GLY A 35 9.063 -2.905 1.549 1.00 0.00 N ATOM 481 CA GLY A 35 7.796 -3.083 2.160 1.00 0.00 C ATOM 482 C GLY A 35 7.736 -4.556 2.161 1.00 0.00 C ATOM 483 O GLY A 35 8.701 -5.198 1.735 1.00 0.00 O ATOM 0 H GLY A 35 9.503 -3.773 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.751 -2.661 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.987 -2.630 1.587 1.00 0.00 H new ATOM 487 N HIS A 36 6.618 -5.121 2.645 1.00 0.00 N ATOM 488 CA HIS A 36 6.475 -6.524 2.848 1.00 0.00 C ATOM 489 C HIS A 36 4.996 -6.630 2.779 1.00 0.00 C ATOM 490 O HIS A 36 4.314 -5.608 2.655 1.00 0.00 O ATOM 491 CB HIS A 36 6.931 -7.033 4.239 1.00 0.00 C ATOM 492 CG HIS A 36 8.383 -6.765 4.531 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.800 -5.700 5.285 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.492 -7.436 4.142 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.124 -5.724 5.344 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.569 -6.772 4.665 1.00 0.00 N ATOM 0 H HIS A 36 5.790 -4.584 2.902 1.00 0.00 H new ATOM 0 HA HIS A 36 7.072 -7.104 2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.321 -6.560 5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.748 -8.106 4.302 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.522 -8.328 3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.741 -5.005 5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.547 -7.038 4.552 1.00 0.00 H new ATOM 505 N CYS A 37 4.453 -7.858 2.869 1.00 0.00 N ATOM 506 CA CYS A 37 3.029 -8.065 2.796 1.00 0.00 C ATOM 507 C CYS A 37 2.473 -7.948 4.173 1.00 0.00 C ATOM 508 O CYS A 37 3.204 -8.022 5.159 1.00 0.00 O ATOM 509 CB CYS A 37 2.644 -9.466 2.274 1.00 0.00 C ATOM 510 SG CYS A 37 3.318 -9.815 0.631 1.00 0.00 S ATOM 0 H CYS A 37 4.996 -8.712 2.993 1.00 0.00 H new ATOM 0 HA CYS A 37 2.632 -7.321 2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.001 -10.220 2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.558 -9.550 2.241 1.00 0.00 H new ATOM 515 N GLY A 38 1.148 -7.787 4.274 1.00 0.00 N ATOM 516 CA GLY A 38 0.529 -7.735 5.544 1.00 0.00 C ATOM 517 C GLY A 38 -0.886 -7.865 5.157 1.00 0.00 C ATOM 518 O GLY A 38 -1.201 -8.168 4.004 1.00 0.00 O ATOM 0 H GLY A 38 0.514 -7.694 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.856 -8.543 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.732 -6.800 6.066 1.00 0.00 H new ATOM 522 N PHE A 39 -1.767 -7.641 6.129 1.00 0.00 N ATOM 523 CA PHE A 39 -3.175 -7.765 6.026 1.00 0.00 C ATOM 524 C PHE A 39 -3.450 -6.758 7.093 1.00 0.00 C ATOM 525 O PHE A 39 -2.571 -6.535 7.933 1.00 0.00 O ATOM 526 CB PHE A 39 -3.636 -9.179 6.497 1.00 0.00 C ATOM 527 CG PHE A 39 -4.907 -9.711 5.884 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.864 -8.918 5.224 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.140 -11.098 5.983 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.016 -9.501 4.681 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.282 -11.678 5.423 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.226 -10.878 4.771 1.00 0.00 C ATOM 0 H PHE A 39 -1.472 -7.350 7.061 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.637 -7.635 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.834 -9.887 6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.764 -9.153 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.709 -7.853 5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.425 -11.722 6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.749 -8.879 4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.435 -12.745 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.111 -11.322 4.340 1.00 0.00 H new ATOM 542 N LYS A 40 -4.629 -6.126 7.111 1.00 0.00 N ATOM 543 CA LYS A 40 -5.080 -5.433 8.291 1.00 0.00 C ATOM 544 C LYS A 40 -6.525 -5.808 8.409 1.00 0.00 C ATOM 545 O LYS A 40 -7.302 -5.141 9.086 1.00 0.00 O ATOM 546 CB LYS A 40 -4.954 -3.891 8.193 1.00 0.00 C ATOM 547 CG LYS A 40 -5.462 -3.279 6.869 1.00 0.00 C ATOM 548 CD LYS A 40 -5.607 -1.744 6.889 1.00 0.00 C ATOM 549 CE LYS A 40 -6.735 -1.251 7.810 1.00 0.00 C ATOM 550 NZ LYS A 40 -6.887 0.224 7.749 1.00 0.00 N ATOM 0 H LYS A 40 -5.273 -6.088 6.321 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.470 -5.714 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.506 -3.443 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.907 -3.618 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.776 -3.556 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.429 -3.720 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.665 -1.301 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.795 -1.391 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.673 -1.726 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.526 -1.553 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.585 0.531 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.972 0.676 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.211 0.501 6.800 1.00 0.00 H new ATOM 564 N VAL A 41 -6.918 -6.898 7.700 1.00 0.00 N ATOM 565 CA VAL A 41 -8.268 -7.246 7.329 1.00 0.00 C ATOM 566 C VAL A 41 -8.897 -6.023 6.698 1.00 0.00 C ATOM 567 O VAL A 41 -8.231 -5.318 5.936 1.00 0.00 O ATOM 568 CB VAL A 41 -9.038 -7.960 8.435 1.00 0.00 C ATOM 569 CG1 VAL A 41 -10.157 -8.840 7.832 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.055 -8.850 9.238 1.00 0.00 C ATOM 0 H VAL A 41 -6.241 -7.583 7.363 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.288 -8.027 6.569 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.494 -7.218 9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.697 -9.343 8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.847 -8.214 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.717 -9.585 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.596 -9.365 10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.602 -9.584 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.275 -8.227 9.676 1.00 0.00 H new ATOM 580 N GLY A 42 -10.165 -5.730 7.023 1.00 0.00 N ATOM 581 CA GLY A 42 -10.780 -4.448 6.779 1.00 0.00 C ATOM 582 C GLY A 42 -11.169 -4.287 5.345 1.00 0.00 C ATOM 583 O GLY A 42 -12.348 -4.315 5.003 1.00 0.00 O ATOM 0 H GLY A 42 -10.790 -6.400 7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.662 -4.341 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.089 -3.653 7.060 1.00 0.00 H new ATOM 587 N HIS A 43 -10.168 -4.105 4.465 1.00 0.00 N ATOM 588 CA HIS A 43 -10.361 -4.014 3.045 1.00 0.00 C ATOM 589 C HIS A 43 -10.037 -5.379 2.518 1.00 0.00 C ATOM 590 O HIS A 43 -10.889 -6.062 1.960 1.00 0.00 O ATOM 591 CB HIS A 43 -9.402 -3.024 2.340 1.00 0.00 C ATOM 592 CG HIS A 43 -9.756 -1.565 2.452 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.692 -0.718 1.374 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.000 -0.801 3.541 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.906 0.518 1.796 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.094 0.497 3.109 1.00 0.00 N ATOM 0 H HIS A 43 -9.192 -4.018 4.748 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.376 -3.664 2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.401 -3.166 2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.355 -3.286 1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.102 -1.148 4.559 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.925 1.400 1.173 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.278 1.309 3.698 1.00 0.00 H new ATOM 605 N GLY A 44 -8.776 -5.824 2.652 1.00 0.00 N ATOM 606 CA GLY A 44 -8.382 -7.008 1.970 1.00 0.00 C ATOM 607 C GLY A 44 -6.943 -7.033 2.286 1.00 0.00 C ATOM 608 O GLY A 44 -6.493 -6.247 3.126 1.00 0.00 O ATOM 0 H GLY A 44 -8.052 -5.378 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.903 -7.892 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.570 -6.951 0.898 1.00 0.00 H new ATOM 612 N LEU A 45 -6.196 -7.926 1.600 1.00 0.00 N ATOM 613 CA LEU A 45 -4.777 -8.110 1.766 1.00 0.00 C ATOM 614 C LEU A 45 -4.143 -6.877 1.193 1.00 0.00 C ATOM 615 O LEU A 45 -4.548 -6.414 0.126 1.00 0.00 O ATOM 616 CB LEU A 45 -4.291 -9.405 1.070 1.00 0.00 C ATOM 617 CG LEU A 45 -2.931 -9.954 1.560 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.926 -11.496 1.533 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.721 -9.404 0.784 1.00 0.00 C ATOM 0 H LEU A 45 -6.598 -8.548 0.898 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.502 -8.235 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.047 -10.178 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.222 -9.217 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.821 -9.602 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.960 -11.863 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.714 -11.874 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.100 -11.843 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.804 -9.835 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.814 -9.667 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.686 -8.319 0.885 1.00 0.00 H new ATOM 631 N ALA A 46 -3.199 -6.280 1.941 1.00 0.00 N ATOM 632 CA ALA A 46 -2.814 -4.911 1.773 1.00 0.00 C ATOM 633 C ALA A 46 -1.344 -5.021 1.789 1.00 0.00 C ATOM 634 O ALA A 46 -0.854 -6.081 2.176 1.00 0.00 O ATOM 635 CB ALA A 46 -3.297 -4.031 2.940 1.00 0.00 C ATOM 0 H ALA A 46 -2.689 -6.760 2.682 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.232 -4.448 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.984 -3.001 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.384 -4.074 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.865 -4.394 3.873 1.00 0.00 H new ATOM 641 N CYS A 47 -0.574 -3.991 1.377 1.00 0.00 N ATOM 642 CA CYS A 47 0.857 -4.224 1.309 1.00 0.00 C ATOM 643 C CYS A 47 1.394 -3.204 2.250 1.00 0.00 C ATOM 644 O CYS A 47 0.739 -2.190 2.439 1.00 0.00 O ATOM 645 CB CYS A 47 1.387 -4.094 -0.142 1.00 0.00 C ATOM 646 SG CYS A 47 3.178 -4.348 -0.363 1.00 0.00 S ATOM 0 H CYS A 47 -0.899 -3.062 1.108 1.00 0.00 H new ATOM 0 HA CYS A 47 1.164 -5.232 1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.858 -4.814 -0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.132 -3.101 -0.513 1.00 0.00 H new ATOM 651 N TRP A 48 2.556 -3.435 2.900 1.00 0.00 N ATOM 652 CA TRP A 48 3.179 -2.454 3.756 1.00 0.00 C ATOM 653 C TRP A 48 4.219 -1.817 2.885 1.00 0.00 C ATOM 654 O TRP A 48 4.759 -2.480 2.003 1.00 0.00 O ATOM 655 CB TRP A 48 3.848 -3.079 5.018 1.00 0.00 C ATOM 656 CG TRP A 48 4.578 -2.105 5.935 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.902 -1.768 5.938 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.952 -1.292 6.947 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.143 -0.783 6.865 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.963 -0.477 7.500 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.642 -1.218 7.398 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.676 0.433 8.508 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.350 -0.296 8.418 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.353 0.522 8.961 1.00 0.00 C ATOM 0 H TRP A 48 3.072 -4.312 2.833 1.00 0.00 H new ATOM 0 HA TRP A 48 2.440 -1.754 4.146 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.079 -3.588 5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.556 -3.840 4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.653 -2.213 5.302 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.048 -0.350 7.051 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.872 -1.848 6.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.451 1.055 8.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.339 -0.216 8.789 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.102 1.229 9.738 1.00 0.00 H new ATOM 675 N CYS A 49 4.538 -0.526 3.116 1.00 0.00 N ATOM 676 CA CYS A 49 5.661 0.102 2.477 1.00 0.00 C ATOM 677 C CYS A 49 6.181 0.940 3.582 1.00 0.00 C ATOM 678 O CYS A 49 5.393 1.465 4.370 1.00 0.00 O ATOM 679 CB CYS A 49 5.303 1.049 1.317 1.00 0.00 C ATOM 680 SG CYS A 49 5.240 0.186 -0.274 1.00 0.00 S ATOM 0 H CYS A 49 4.018 0.084 3.746 1.00 0.00 H new ATOM 0 HA CYS A 49 6.325 -0.643 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.337 1.514 1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.039 1.851 1.265 1.00 0.00 H new ATOM 685 N ASN A 50 7.519 1.079 3.665 1.00 0.00 N ATOM 686 CA ASN A 50 8.131 1.876 4.688 1.00 0.00 C ATOM 687 C ASN A 50 8.640 3.078 3.959 1.00 0.00 C ATOM 688 O ASN A 50 9.397 2.935 2.997 1.00 0.00 O ATOM 689 CB ASN A 50 9.308 1.159 5.405 1.00 0.00 C ATOM 690 CG ASN A 50 9.169 1.367 6.916 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.323 0.703 7.530 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.979 2.288 7.514 1.00 0.00 N ATOM 0 H ASN A 50 8.178 0.639 3.023 1.00 0.00 H new ATOM 0 HA ASN A 50 7.415 2.104 5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.301 0.095 5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.261 1.557 5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.905 2.458 8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.659 2.807 6.958 1.00 0.00 H new ATOM 699 N ALA A 51 8.214 4.272 4.423 1.00 0.00 N ATOM 700 CA ALA A 51 8.676 5.576 4.020 1.00 0.00 C ATOM 701 C ALA A 51 8.106 5.958 2.688 1.00 0.00 C ATOM 702 O ALA A 51 8.818 5.983 1.691 1.00 0.00 O ATOM 703 CB ALA A 51 10.208 5.776 4.028 1.00 0.00 C ATOM 0 H ALA A 51 7.488 4.331 5.137 1.00 0.00 H new ATOM 0 HA ALA A 51 8.303 6.245 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.444 6.791 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.591 5.615 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.671 5.064 3.345 1.00 0.00 H new ATOM 709 N LEU A 52 6.802 6.302 2.653 1.00 0.00 N ATOM 710 CA LEU A 52 6.166 6.806 1.454 1.00 0.00 C ATOM 711 C LEU A 52 6.036 8.283 1.667 1.00 0.00 C ATOM 712 O LEU A 52 5.577 8.665 2.742 1.00 0.00 O ATOM 713 CB LEU A 52 4.743 6.250 1.209 1.00 0.00 C ATOM 714 CG LEU A 52 4.750 4.801 0.675 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.382 4.125 0.836 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.193 4.732 -0.797 1.00 0.00 C ATOM 0 H LEU A 52 6.178 6.233 3.457 1.00 0.00 H new ATOM 0 HA LEU A 52 6.767 6.511 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.178 6.286 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.225 6.892 0.497 1.00 0.00 H new ATOM 0 HG LEU A 52 5.477 4.259 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.431 3.108 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.111 4.098 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.630 4.688 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.183 3.695 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.509 5.318 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.201 5.135 -0.893 1.00 0.00 H new ATOM 728 N PRO A 53 6.407 9.171 0.753 1.00 0.00 N ATOM 729 CA PRO A 53 6.206 10.593 0.940 1.00 0.00 C ATOM 730 C PRO A 53 4.743 10.935 0.814 1.00 0.00 C ATOM 731 O PRO A 53 3.929 10.086 0.456 1.00 0.00 O ATOM 732 CB PRO A 53 7.011 11.268 -0.185 1.00 0.00 C ATOM 733 CG PRO A 53 7.948 10.181 -0.727 1.00 0.00 C ATOM 734 CD PRO A 53 7.195 8.883 -0.444 1.00 0.00 C ATOM 0 HA PRO A 53 6.529 10.924 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.352 11.644 -0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.576 12.120 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.138 10.310 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.916 10.200 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.556 8.604 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.882 8.054 -0.277 1.00 0.00 H new ATOM 742 N ASP A 54 4.403 12.202 1.087 1.00 0.00 N ATOM 743 CA ASP A 54 3.040 12.675 1.164 1.00 0.00 C ATOM 744 C ASP A 54 2.302 12.711 -0.156 1.00 0.00 C ATOM 745 O ASP A 54 1.095 12.951 -0.179 1.00 0.00 O ATOM 746 CB ASP A 54 2.993 14.123 1.696 1.00 0.00 C ATOM 747 CG ASP A 54 3.550 14.236 3.118 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.535 13.222 3.864 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.997 15.360 3.478 1.00 0.00 O ATOM 0 H ASP A 54 5.093 12.932 1.262 1.00 0.00 H new ATOM 0 HA ASP A 54 2.557 11.954 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.564 14.771 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.963 14.480 1.682 1.00 0.00 H new ATOM 754 N ASN A 55 2.989 12.478 -1.296 1.00 0.00 N ATOM 755 CA ASN A 55 2.357 12.539 -2.596 1.00 0.00 C ATOM 756 C ASN A 55 1.649 11.240 -2.870 1.00 0.00 C ATOM 757 O ASN A 55 0.901 11.132 -3.840 1.00 0.00 O ATOM 758 CB ASN A 55 3.333 12.850 -3.774 1.00 0.00 C ATOM 759 CG ASN A 55 4.397 11.755 -3.966 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.125 11.441 -3.019 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.482 11.173 -5.196 1.00 0.00 N ATOM 0 H ASN A 55 3.982 12.247 -1.323 1.00 0.00 H new ATOM 0 HA ASN A 55 1.658 13.374 -2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.761 12.961 -4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.828 13.804 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.171 10.441 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.856 11.469 -5.945 1.00 0.00 H new ATOM 768 N VAL A 56 1.895 10.216 -2.028 1.00 0.00 N ATOM 769 CA VAL A 56 1.350 8.906 -2.218 1.00 0.00 C ATOM 770 C VAL A 56 0.185 8.844 -1.280 1.00 0.00 C ATOM 771 O VAL A 56 0.317 9.198 -0.112 1.00 0.00 O ATOM 772 CB VAL A 56 2.343 7.802 -1.886 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.869 6.493 -2.557 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.755 8.254 -2.334 1.00 0.00 C ATOM 0 H VAL A 56 2.484 10.301 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 56 1.078 8.748 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 56 2.397 7.608 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.571 5.692 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.881 6.228 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.820 6.635 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.478 7.472 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.754 8.440 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.028 9.168 -1.808 1.00 0.00 H new ATOM 784 N GLY A 57 -0.984 8.378 -1.750 1.00 0.00 N ATOM 785 CA GLY A 57 -2.127 8.225 -0.895 1.00 0.00 C ATOM 786 C GLY A 57 -2.177 6.760 -0.659 1.00 0.00 C ATOM 787 O GLY A 57 -1.701 5.974 -1.479 1.00 0.00 O ATOM 0 H GLY A 57 -1.142 8.106 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.011 8.780 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.038 8.588 -1.371 1.00 0.00 H new ATOM 791 N ILE A 58 -2.707 6.358 0.506 1.00 0.00 N ATOM 792 CA ILE A 58 -2.535 5.030 1.015 1.00 0.00 C ATOM 793 C ILE A 58 -3.888 4.632 1.510 1.00 0.00 C ATOM 794 O ILE A 58 -4.892 5.113 0.978 1.00 0.00 O ATOM 795 CB ILE A 58 -1.432 4.961 2.063 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.592 5.967 3.229 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.080 5.155 1.343 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.486 5.816 4.280 1.00 0.00 C ATOM 0 H ILE A 58 -3.266 6.963 1.108 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.191 4.327 0.256 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.489 3.983 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.580 6.983 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.563 5.821 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.730 5.110 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.054 4.367 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.068 6.125 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.641 6.542 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.514 4.809 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.484 5.989 3.815 1.00 0.00 H new ATOM 810 N ILE A 59 -3.970 3.718 2.511 1.00 0.00 N ATOM 811 CA ILE A 59 -5.247 3.273 3.016 1.00 0.00 C ATOM 812 C ILE A 59 -5.885 4.438 3.722 1.00 0.00 C ATOM 813 O ILE A 59 -5.249 5.131 4.516 1.00 0.00 O ATOM 814 CB ILE A 59 -5.243 2.100 4.003 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.143 1.047 3.764 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.641 1.440 4.003 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.157 0.330 2.416 1.00 0.00 C ATOM 0 H ILE A 59 -3.162 3.292 2.965 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.780 2.908 2.138 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.007 2.522 4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.175 1.535 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.216 0.295 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.649 0.604 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.389 2.173 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.872 1.077 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.334 -0.383 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.102 -0.199 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.045 1.060 1.614 1.00 0.00 H new ATOM 829 N VAL A 60 -7.171 4.654 3.421 1.00 0.00 N ATOM 830 CA VAL A 60 -8.063 5.538 4.096 1.00 0.00 C ATOM 831 C VAL A 60 -9.173 4.548 4.281 1.00 0.00 C ATOM 832 O VAL A 60 -9.295 3.617 3.485 1.00 0.00 O ATOM 833 CB VAL A 60 -8.453 6.716 3.207 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.705 7.455 3.719 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.234 7.657 3.086 1.00 0.00 C ATOM 0 H VAL A 60 -7.623 4.172 2.644 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.704 6.031 4.999 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.727 6.342 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.938 8.283 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.548 6.765 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.516 7.840 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.492 8.507 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.950 8.014 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.399 7.115 2.643 1.00 0.00 H new