USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 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 33 THR OG1 : rot 72:sc= 1.12 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0.963 USER MOD Single : A 1 VAL N :NH3+ -115:sc= -0.15 (180deg=-0.335) USER MOD Single : A 5 TYR OH : rot -53:sc= 0.849 USER MOD Single : A 8 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.088) USER MOD Single : A 11 ASN : amide:sc= 1.59 K(o=1.6,f=-7.3!) USER MOD Single : A 12 CYS SG : rot 35:sc= 0.605 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS :FLIP no HE2:sc= -0.175 F(o=-1.9,f=-0.18) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.131 USER MOD Single : A 25 THR OG1 : rot 107:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.756 (180deg=0.425) USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= -0.0288 (180deg=-1.03) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.902 F(o=-2.7!,f=-0.9) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 50 ASN : amide:sc= 0.972 K(o=0.97,f=-4.5!) USER MOD Single : A 55 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.484 12.045 5.802 1.00 0.00 N ATOM 2 CA VAL A 1 6.973 10.762 5.257 1.00 0.00 C ATOM 3 C VAL A 1 6.044 10.106 6.254 1.00 0.00 C ATOM 4 O VAL A 1 5.842 10.605 7.361 1.00 0.00 O ATOM 5 CB VAL A 1 8.131 9.814 4.893 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.969 10.402 3.736 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.016 9.483 6.116 1.00 0.00 C ATOM 0 H1 VAL A 1 7.132 12.833 5.222 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.154 12.162 6.781 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.524 12.040 5.785 1.00 0.00 H new ATOM 0 HA VAL A 1 6.416 10.976 4.344 1.00 0.00 H new ATOM 0 HB VAL A 1 7.694 8.873 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.783 9.719 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.335 10.538 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.382 11.365 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.820 8.812 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.443 10.403 6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.411 9.001 6.883 1.00 0.00 H new ATOM 19 N ARG A 2 5.467 8.939 5.888 1.00 0.00 N ATOM 20 CA ARG A 2 4.743 8.096 6.798 1.00 0.00 C ATOM 21 C ARG A 2 5.105 6.704 6.389 1.00 0.00 C ATOM 22 O ARG A 2 5.874 6.522 5.439 1.00 0.00 O ATOM 23 CB ARG A 2 3.201 8.307 6.832 1.00 0.00 C ATOM 24 CG ARG A 2 2.359 7.960 5.581 1.00 0.00 C ATOM 25 CD ARG A 2 2.616 8.825 4.331 1.00 0.00 C ATOM 26 NE ARG A 2 1.333 9.053 3.572 1.00 0.00 N ATOM 27 CZ ARG A 2 0.525 10.130 3.818 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.820 11.018 4.813 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.590 10.333 3.060 1.00 0.00 N ATOM 0 H ARG A 2 5.505 8.574 4.936 1.00 0.00 H new ATOM 0 HA ARG A 2 5.026 8.337 7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.809 7.721 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.019 9.356 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.544 6.918 5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.304 8.041 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.045 9.782 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.345 8.334 3.686 1.00 0.00 H new ATOM 0 HE ARG A 2 1.059 8.384 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.653 10.884 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.207 11.815 4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.822 9.682 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.192 11.136 3.243 1.00 0.00 H new ATOM 43 N ASP A 3 4.568 5.690 7.103 1.00 0.00 N ATOM 44 CA ASP A 3 4.774 4.299 6.814 1.00 0.00 C ATOM 45 C ASP A 3 3.360 3.838 6.909 1.00 0.00 C ATOM 46 O ASP A 3 2.632 4.366 7.753 1.00 0.00 O ATOM 47 CB ASP A 3 5.593 3.526 7.883 1.00 0.00 C ATOM 48 CG ASP A 3 6.926 4.224 8.169 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.709 4.447 7.210 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.173 4.553 9.360 1.00 0.00 O ATOM 0 H ASP A 3 3.967 5.846 7.912 1.00 0.00 H new ATOM 0 HA ASP A 3 5.324 4.142 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.014 3.450 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.778 2.509 7.538 1.00 0.00 H new ATOM 55 N GLY A 4 2.907 2.925 6.027 1.00 0.00 N ATOM 56 CA GLY A 4 1.571 2.424 6.153 1.00 0.00 C ATOM 57 C GLY A 4 1.515 1.169 5.367 1.00 0.00 C ATOM 58 O GLY A 4 2.504 0.780 4.746 1.00 0.00 O ATOM 0 H GLY A 4 3.446 2.544 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.324 2.238 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.848 3.149 5.778 1.00 0.00 H new ATOM 62 N TYR A 5 0.302 0.575 5.292 1.00 0.00 N ATOM 63 CA TYR A 5 -0.036 -0.402 4.294 1.00 0.00 C ATOM 64 C TYR A 5 -0.284 0.398 3.058 1.00 0.00 C ATOM 65 O TYR A 5 -1.015 1.381 3.130 1.00 0.00 O ATOM 66 CB TYR A 5 -1.372 -1.105 4.579 1.00 0.00 C ATOM 67 CG TYR A 5 -1.256 -2.037 5.721 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.780 -3.333 5.495 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.663 -1.655 7.010 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.756 -4.254 6.541 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.643 -2.583 8.057 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.227 -3.897 7.809 1.00 0.00 C ATOM 73 OH TYR A 5 -1.369 -4.894 8.789 1.00 0.00 O ATOM 0 H TYR A 5 -0.459 0.779 5.939 1.00 0.00 H new ATOM 0 HA TYR A 5 0.754 -1.151 4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.139 -0.360 4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.694 -1.651 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.432 -3.619 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.992 -0.643 7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.372 -5.249 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.947 -2.288 9.050 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.915 -5.626 8.434 1.00 0.00 H new ATOM 83 N ILE A 6 0.311 0.037 1.908 1.00 0.00 N ATOM 84 CA ILE A 6 0.136 0.833 0.726 1.00 0.00 C ATOM 85 C ILE A 6 -1.070 0.293 0.000 1.00 0.00 C ATOM 86 O ILE A 6 -1.277 -0.935 -0.098 1.00 0.00 O ATOM 87 CB ILE A 6 1.387 1.045 -0.126 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.189 2.191 -1.153 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.863 -0.273 -0.748 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.443 2.560 -1.947 1.00 0.00 C ATOM 0 H ILE A 6 0.901 -0.787 1.792 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.052 1.867 1.014 1.00 0.00 H new ATOM 0 HB ILE A 6 2.197 1.376 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.404 1.902 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.836 3.077 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.754 -0.091 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.098 -0.985 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.076 -0.681 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.210 3.369 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.226 2.883 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.788 1.691 -2.507 1.00 0.00 H new ATOM 102 N ALA A 7 -1.872 1.300 -0.443 1.00 0.00 N ATOM 103 CA ALA A 7 -3.061 1.226 -1.244 1.00 0.00 C ATOM 104 C ALA A 7 -2.692 1.318 -2.689 1.00 0.00 C ATOM 105 O ALA A 7 -1.526 1.248 -3.054 1.00 0.00 O ATOM 106 CB ALA A 7 -4.062 2.370 -0.972 1.00 0.00 C ATOM 0 H ALA A 7 -1.653 2.268 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.535 0.279 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.936 2.249 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.372 2.342 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.586 3.328 -1.184 1.00 0.00 H new ATOM 112 N GLN A 8 -3.711 1.505 -3.536 1.00 0.00 N ATOM 113 CA GLN A 8 -3.659 1.607 -4.954 1.00 0.00 C ATOM 114 C GLN A 8 -4.786 2.601 -5.078 1.00 0.00 C ATOM 115 O GLN A 8 -5.547 2.668 -4.106 1.00 0.00 O ATOM 116 CB GLN A 8 -4.004 0.240 -5.602 1.00 0.00 C ATOM 117 CG GLN A 8 -4.133 0.217 -7.133 1.00 0.00 C ATOM 118 CD GLN A 8 -4.197 -1.225 -7.649 1.00 0.00 C ATOM 119 OE1 GLN A 8 -3.540 -1.550 -8.644 1.00 0.00 O ATOM 120 NE2 GLN A 8 -4.991 -2.101 -6.968 1.00 0.00 N ATOM 0 H GLN A 8 -4.667 1.593 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.713 1.883 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.235 -0.477 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.944 -0.112 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.030 0.757 -7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.284 0.732 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.515 -1.786 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.061 -3.071 -7.275 1.00 0.00 H new ATOM 129 N PRO A 9 -4.945 3.390 -6.138 1.00 0.00 N ATOM 130 CA PRO A 9 -6.032 4.354 -6.230 1.00 0.00 C ATOM 131 C PRO A 9 -7.394 3.684 -6.258 1.00 0.00 C ATOM 132 O PRO A 9 -7.485 2.577 -6.794 1.00 0.00 O ATOM 133 CB PRO A 9 -5.760 5.064 -7.562 1.00 0.00 C ATOM 134 CG PRO A 9 -4.232 5.115 -7.622 1.00 0.00 C ATOM 135 CD PRO A 9 -3.827 3.768 -7.012 1.00 0.00 C ATOM 0 HA PRO A 9 -6.060 5.023 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.178 4.514 -8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.198 6.062 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.870 5.222 -8.645 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.832 5.954 -7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.662 3.019 -7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.898 3.854 -6.448 1.00 0.00 H new ATOM 143 N GLU A 10 -8.470 4.283 -5.688 1.00 0.00 N ATOM 144 CA GLU A 10 -8.525 5.622 -5.146 1.00 0.00 C ATOM 145 C GLU A 10 -8.090 5.553 -3.719 1.00 0.00 C ATOM 146 O GLU A 10 -7.164 6.239 -3.296 1.00 0.00 O ATOM 147 CB GLU A 10 -9.944 6.218 -5.217 1.00 0.00 C ATOM 148 CG GLU A 10 -10.399 6.449 -6.668 1.00 0.00 C ATOM 149 CD GLU A 10 -11.859 6.888 -6.672 1.00 0.00 C ATOM 150 OE1 GLU A 10 -12.153 7.968 -6.094 1.00 0.00 O ATOM 151 OE2 GLU A 10 -12.702 6.143 -7.241 1.00 0.00 O ATOM 0 H GLU A 10 -9.363 3.798 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.873 6.267 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.644 5.547 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.968 7.163 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.777 7.209 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.280 5.534 -7.249 1.00 0.00 H new ATOM 158 N ASN A 11 -8.740 4.666 -2.957 1.00 0.00 N ATOM 159 CA ASN A 11 -8.357 4.257 -1.652 1.00 0.00 C ATOM 160 C ASN A 11 -8.784 2.866 -1.908 1.00 0.00 C ATOM 161 O ASN A 11 -9.830 2.687 -2.531 1.00 0.00 O ATOM 162 CB ASN A 11 -9.201 4.826 -0.489 1.00 0.00 C ATOM 163 CG ASN A 11 -8.913 4.030 0.785 1.00 0.00 C ATOM 164 OD1 ASN A 11 -7.764 3.991 1.236 1.00 0.00 O ATOM 165 ND2 ASN A 11 -9.947 3.348 1.347 1.00 0.00 N ATOM 0 H ASN A 11 -9.591 4.204 -3.276 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.346 4.518 -1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.964 5.879 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.262 4.770 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.789 2.775 2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.880 3.410 0.940 1.00 0.00 H new ATOM 172 N CYS A 12 -7.981 1.900 -1.470 1.00 0.00 N ATOM 173 CA CYS A 12 -8.093 0.508 -1.797 1.00 0.00 C ATOM 174 C CYS A 12 -6.980 -0.009 -0.965 1.00 0.00 C ATOM 175 O CYS A 12 -6.516 0.697 -0.071 1.00 0.00 O ATOM 176 CB CYS A 12 -7.890 0.135 -3.303 1.00 0.00 C ATOM 177 SG CYS A 12 -9.390 0.330 -4.303 1.00 0.00 S ATOM 0 H CYS A 12 -7.198 2.092 -0.845 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.091 0.109 -1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.100 0.759 -3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.549 -0.898 -3.371 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.077 1.342 -3.862 1.00 0.00 H new ATOM 182 N VAL A 13 -6.521 -1.234 -1.255 1.00 0.00 N ATOM 183 CA VAL A 13 -5.310 -1.782 -0.768 1.00 0.00 C ATOM 184 C VAL A 13 -4.616 -1.967 -2.079 1.00 0.00 C ATOM 185 O VAL A 13 -5.267 -1.957 -3.130 1.00 0.00 O ATOM 186 CB VAL A 13 -5.473 -3.102 -0.027 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.850 -2.799 1.431 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.518 -4.020 -0.701 1.00 0.00 C ATOM 0 H VAL A 13 -7.028 -1.875 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.804 -1.169 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.529 -3.647 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.971 -3.734 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.061 -2.207 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.786 -2.240 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.602 -4.950 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.486 -3.518 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.205 -4.240 -1.722 1.00 0.00 H new ATOM 198 N TYR A 14 -3.278 -2.165 -2.049 1.00 0.00 N ATOM 199 CA TYR A 14 -2.580 -2.777 -3.154 1.00 0.00 C ATOM 200 C TYR A 14 -2.814 -4.254 -2.985 1.00 0.00 C ATOM 201 O TYR A 14 -3.625 -4.661 -2.161 1.00 0.00 O ATOM 202 CB TYR A 14 -1.055 -2.444 -3.239 1.00 0.00 C ATOM 203 CG TYR A 14 -0.681 -1.834 -4.569 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.100 -2.420 -5.780 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.111 -0.673 -4.630 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.789 -1.830 -7.010 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.419 -0.078 -5.858 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.048 -0.645 -7.049 1.00 0.00 C ATOM 209 OH TYR A 14 0.234 -0.021 -8.283 1.00 0.00 O ATOM 0 H TYR A 14 -2.680 -1.904 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.964 -2.384 -4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.789 -1.755 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.476 -3.354 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.669 -3.338 -5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.486 -0.235 -3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.121 -2.290 -7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.018 0.820 -5.887 1.00 0.00 H new ATOM 0 HH TYR A 14 0.758 0.792 -8.126 1.00 0.00 H new ATOM 219 N HIS A 15 -2.119 -5.120 -3.727 1.00 0.00 N ATOM 220 CA HIS A 15 -2.227 -6.523 -3.497 1.00 0.00 C ATOM 221 C HIS A 15 -0.784 -6.830 -3.560 1.00 0.00 C ATOM 222 O HIS A 15 0.009 -5.962 -3.931 1.00 0.00 O ATOM 223 CB HIS A 15 -3.065 -7.296 -4.542 1.00 0.00 C ATOM 224 CG HIS A 15 -4.543 -7.113 -4.302 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.194 -6.810 -3.152 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -5.503 -7.319 -5.255 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.532 -6.820 -3.424 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -6.695 -7.131 -4.699 1.00 0.00 N flip ATOM 0 H HIS A 15 -1.486 -4.856 -4.482 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.755 -6.809 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.811 -6.949 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.816 -8.356 -4.499 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -4.763 -6.611 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.322 -7.589 -6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.322 -6.610 -2.718 1.00 0.00 H new ATOM 237 N CYS A 16 -0.422 -8.041 -3.134 1.00 0.00 N ATOM 238 CA CYS A 16 0.906 -8.439 -2.824 1.00 0.00 C ATOM 239 C CYS A 16 0.846 -9.758 -3.491 1.00 0.00 C ATOM 240 O CYS A 16 -0.251 -10.264 -3.736 1.00 0.00 O ATOM 241 CB CYS A 16 1.097 -8.603 -1.284 1.00 0.00 C ATOM 242 SG CYS A 16 2.567 -9.514 -0.711 1.00 0.00 S ATOM 0 H CYS A 16 -1.099 -8.791 -2.997 1.00 0.00 H new ATOM 0 HA CYS A 16 1.709 -7.765 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.124 -7.608 -0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.214 -9.105 -0.887 1.00 0.00 H new ATOM 247 N PHE A 17 2.007 -10.348 -3.794 1.00 0.00 N ATOM 248 CA PHE A 17 2.112 -11.694 -4.240 1.00 0.00 C ATOM 249 C PHE A 17 2.819 -12.184 -3.016 1.00 0.00 C ATOM 250 O PHE A 17 3.881 -11.602 -2.799 1.00 0.00 O ATOM 251 CB PHE A 17 3.044 -11.836 -5.472 1.00 0.00 C ATOM 252 CG PHE A 17 2.756 -10.798 -6.538 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.447 -10.497 -6.963 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.827 -10.087 -7.116 1.00 0.00 C ATOM 255 CE1 PHE A 17 1.217 -9.522 -7.941 1.00 0.00 C ATOM 256 CE2 PHE A 17 3.600 -9.110 -8.092 1.00 0.00 C ATOM 257 CZ PHE A 17 2.293 -8.830 -8.507 1.00 0.00 C ATOM 0 H PHE A 17 2.906 -9.871 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 17 1.188 -12.182 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.082 -11.745 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.928 -12.832 -5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.611 -11.025 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.838 -10.299 -6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.208 -9.304 -8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.432 -8.573 -8.524 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.115 -8.080 -9.264 1.00 0.00 H new ATOM 267 N PRO A 18 2.335 -13.090 -2.163 1.00 0.00 N ATOM 268 CA PRO A 18 2.871 -13.240 -0.814 1.00 0.00 C ATOM 269 C PRO A 18 4.340 -13.583 -0.737 1.00 0.00 C ATOM 270 O PRO A 18 4.718 -14.735 -0.944 1.00 0.00 O ATOM 271 CB PRO A 18 1.989 -14.330 -0.205 1.00 0.00 C ATOM 272 CG PRO A 18 0.607 -13.986 -0.761 1.00 0.00 C ATOM 273 CD PRO A 18 0.920 -13.485 -2.177 1.00 0.00 C ATOM 0 HA PRO A 18 2.839 -12.292 -0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.311 -15.327 -0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.006 -14.304 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.050 -14.856 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.110 -13.222 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.740 -14.266 -2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.282 -12.642 -2.443 1.00 0.00 H new ATOM 281 N GLY A 19 5.181 -12.576 -0.440 1.00 0.00 N ATOM 282 CA GLY A 19 6.595 -12.703 -0.478 1.00 0.00 C ATOM 283 C GLY A 19 6.938 -11.261 -0.547 1.00 0.00 C ATOM 284 O GLY A 19 6.048 -10.422 -0.375 1.00 0.00 O ATOM 0 H GLY A 19 4.862 -11.647 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.001 -13.193 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.947 -13.265 -1.343 1.00 0.00 H new ATOM 288 N SER A 20 8.223 -10.940 -0.780 1.00 0.00 N ATOM 289 CA SER A 20 8.716 -9.592 -0.707 1.00 0.00 C ATOM 290 C SER A 20 8.619 -8.920 -2.055 1.00 0.00 C ATOM 291 O SER A 20 8.376 -7.715 -2.151 1.00 0.00 O ATOM 292 CB SER A 20 10.204 -9.602 -0.264 1.00 0.00 C ATOM 293 OG SER A 20 10.408 -10.557 0.780 1.00 0.00 O ATOM 0 H SER A 20 8.936 -11.627 -1.024 1.00 0.00 H new ATOM 0 HA SER A 20 8.111 -9.044 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.841 -9.842 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.494 -8.609 0.081 1.00 0.00 H new ATOM 0 HG SER A 20 11.351 -10.553 1.047 1.00 0.00 H new ATOM 299 N SER A 21 8.853 -9.707 -3.131 1.00 0.00 N ATOM 300 CA SER A 21 9.235 -9.290 -4.456 1.00 0.00 C ATOM 301 C SER A 21 8.383 -8.216 -5.083 1.00 0.00 C ATOM 302 O SER A 21 8.877 -7.182 -5.542 1.00 0.00 O ATOM 303 CB SER A 21 9.268 -10.543 -5.366 1.00 0.00 C ATOM 304 OG SER A 21 9.581 -11.696 -4.577 1.00 0.00 O ATOM 0 H SER A 21 8.767 -10.721 -3.067 1.00 0.00 H new ATOM 0 HA SER A 21 10.215 -8.823 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.304 -10.675 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.011 -10.415 -6.153 1.00 0.00 H new ATOM 0 HG SER A 21 9.601 -12.490 -5.151 1.00 0.00 H new ATOM 310 N GLY A 22 7.055 -8.443 -5.122 1.00 0.00 N ATOM 311 CA GLY A 22 6.159 -7.580 -5.855 1.00 0.00 C ATOM 312 C GLY A 22 5.960 -6.299 -5.122 1.00 0.00 C ATOM 313 O GLY A 22 5.969 -5.219 -5.711 1.00 0.00 O ATOM 0 H GLY A 22 6.596 -9.221 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.566 -7.380 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.200 -8.078 -5.998 1.00 0.00 H new ATOM 317 N CYS A 23 5.791 -6.387 -3.785 1.00 0.00 N ATOM 318 CA CYS A 23 5.478 -5.237 -2.968 1.00 0.00 C ATOM 319 C CYS A 23 6.608 -4.278 -2.946 1.00 0.00 C ATOM 320 O CYS A 23 6.384 -3.079 -3.067 1.00 0.00 O ATOM 321 CB CYS A 23 5.202 -5.552 -1.486 1.00 0.00 C ATOM 322 SG CYS A 23 3.596 -6.323 -1.235 1.00 0.00 S ATOM 0 H CYS A 23 5.871 -7.259 -3.262 1.00 0.00 H new ATOM 0 HA CYS A 23 4.576 -4.838 -3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.982 -6.212 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.254 -4.631 -0.906 1.00 0.00 H new ATOM 327 N ASP A 24 7.855 -4.784 -2.813 1.00 0.00 N ATOM 328 CA ASP A 24 9.014 -3.919 -2.738 1.00 0.00 C ATOM 329 C ASP A 24 9.166 -3.172 -4.044 1.00 0.00 C ATOM 330 O ASP A 24 9.434 -1.975 -4.055 1.00 0.00 O ATOM 331 CB ASP A 24 10.314 -4.693 -2.397 1.00 0.00 C ATOM 332 CG ASP A 24 11.451 -3.730 -2.032 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.292 -2.977 -1.034 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.489 -3.743 -2.747 1.00 0.00 O ATOM 0 H ASP A 24 8.065 -5.781 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 24 8.852 -3.213 -1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.128 -5.373 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.611 -5.305 -3.249 1.00 0.00 H new ATOM 339 N THR A 25 8.909 -3.859 -5.175 1.00 0.00 N ATOM 340 CA THR A 25 8.935 -3.271 -6.494 1.00 0.00 C ATOM 341 C THR A 25 7.872 -2.194 -6.626 1.00 0.00 C ATOM 342 O THR A 25 8.154 -1.085 -7.085 1.00 0.00 O ATOM 343 CB THR A 25 8.708 -4.333 -7.554 1.00 0.00 C ATOM 344 OG1 THR A 25 9.609 -5.424 -7.369 1.00 0.00 O ATOM 345 CG2 THR A 25 8.935 -3.757 -8.967 1.00 0.00 C ATOM 0 H THR A 25 8.676 -4.852 -5.179 1.00 0.00 H new ATOM 0 HA THR A 25 9.917 -2.821 -6.639 1.00 0.00 H new ATOM 0 HB THR A 25 7.678 -4.676 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.121 -6.194 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.766 -4.537 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.241 -2.935 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.958 -3.392 -9.051 1.00 0.00 H new ATOM 353 N LEU A 26 6.619 -2.486 -6.191 1.00 0.00 N ATOM 354 CA LEU A 26 5.522 -1.537 -6.240 1.00 0.00 C ATOM 355 C LEU A 26 5.829 -0.348 -5.375 1.00 0.00 C ATOM 356 O LEU A 26 5.566 0.796 -5.732 1.00 0.00 O ATOM 357 CB LEU A 26 4.188 -2.113 -5.711 1.00 0.00 C ATOM 358 CG LEU A 26 3.540 -3.178 -6.617 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.392 -3.880 -5.869 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.070 -2.583 -7.959 1.00 0.00 C ATOM 0 H LEU A 26 6.361 -3.392 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 26 5.414 -1.277 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.362 -2.550 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.483 -1.293 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 26 4.297 -3.924 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.941 -4.631 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.783 -4.362 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.639 -3.145 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.619 -3.368 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.334 -1.801 -7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.924 -2.159 -8.488 1.00 0.00 H new ATOM 372 N CYS A 27 6.428 -0.612 -4.203 1.00 0.00 N ATOM 373 CA CYS A 27 6.809 0.390 -3.245 1.00 0.00 C ATOM 374 C CYS A 27 7.739 1.398 -3.866 1.00 0.00 C ATOM 375 O CYS A 27 7.544 2.601 -3.691 1.00 0.00 O ATOM 376 CB CYS A 27 7.469 -0.219 -1.984 1.00 0.00 C ATOM 377 SG CYS A 27 7.322 0.876 -0.558 1.00 0.00 S ATOM 0 H CYS A 27 6.659 -1.560 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 27 5.890 0.886 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.003 -1.177 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.522 -0.416 -2.184 1.00 0.00 H new ATOM 382 N LYS A 28 8.723 0.921 -4.670 1.00 0.00 N ATOM 383 CA LYS A 28 9.682 1.781 -5.335 1.00 0.00 C ATOM 384 C LYS A 28 8.987 2.737 -6.272 1.00 0.00 C ATOM 385 O LYS A 28 9.250 3.938 -6.249 1.00 0.00 O ATOM 386 CB LYS A 28 10.735 1.013 -6.180 1.00 0.00 C ATOM 387 CG LYS A 28 11.682 0.117 -5.365 1.00 0.00 C ATOM 388 CD LYS A 28 12.729 0.867 -4.527 1.00 0.00 C ATOM 389 CE LYS A 28 13.616 -0.097 -3.726 1.00 0.00 C ATOM 390 NZ LYS A 28 14.614 0.643 -2.922 1.00 0.00 N ATOM 0 H LYS A 28 8.857 -0.072 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 28 10.192 2.302 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.214 0.396 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.331 1.736 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.085 -0.506 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.200 -0.555 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.353 1.474 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.225 1.551 -3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.995 -0.707 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.126 -0.778 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.420 0.020 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.947 1.470 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.178 0.959 -2.033 1.00 0.00 H new ATOM 404 N GLU A 29 8.061 2.225 -7.114 1.00 0.00 N ATOM 405 CA GLU A 29 7.434 3.046 -8.132 1.00 0.00 C ATOM 406 C GLU A 29 6.385 3.977 -7.562 1.00 0.00 C ATOM 407 O GLU A 29 5.986 4.932 -8.225 1.00 0.00 O ATOM 408 CB GLU A 29 6.839 2.235 -9.310 1.00 0.00 C ATOM 409 CG GLU A 29 5.876 1.114 -8.899 1.00 0.00 C ATOM 410 CD GLU A 29 5.359 0.383 -10.137 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.206 -0.123 -10.922 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.113 0.313 -10.310 1.00 0.00 O ATOM 0 H GLU A 29 7.745 1.255 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 29 8.250 3.647 -8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.314 2.920 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.658 1.799 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.385 0.412 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.040 1.531 -8.338 1.00 0.00 H new ATOM 419 N LYS A 30 5.935 3.744 -6.308 1.00 0.00 N ATOM 420 CA LYS A 30 5.028 4.650 -5.632 1.00 0.00 C ATOM 421 C LYS A 30 5.781 5.601 -4.733 1.00 0.00 C ATOM 422 O LYS A 30 5.195 6.536 -4.185 1.00 0.00 O ATOM 423 CB LYS A 30 3.969 3.921 -4.778 1.00 0.00 C ATOM 424 CG LYS A 30 3.035 2.984 -5.576 1.00 0.00 C ATOM 425 CD LYS A 30 2.207 3.608 -6.720 1.00 0.00 C ATOM 426 CE LYS A 30 0.992 4.447 -6.285 1.00 0.00 C ATOM 427 NZ LYS A 30 1.378 5.768 -5.736 1.00 0.00 N ATOM 0 H LYS A 30 6.197 2.927 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 30 4.518 5.194 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.478 3.338 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.362 4.665 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.643 2.184 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.342 2.521 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.865 4.238 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.857 2.806 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.331 4.592 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.426 3.897 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.631 6.462 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.505 5.692 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.269 6.079 -6.173 1.00 0.00 H new ATOM 441 N GLY A 31 7.105 5.398 -4.572 1.00 0.00 N ATOM 442 CA GLY A 31 7.959 6.366 -3.930 1.00 0.00 C ATOM 443 C GLY A 31 8.130 6.073 -2.475 1.00 0.00 C ATOM 444 O GLY A 31 8.396 6.985 -1.695 1.00 0.00 O ATOM 0 H GLY A 31 7.590 4.558 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.934 6.371 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.536 7.363 -4.053 1.00 0.00 H new ATOM 448 N GLY A 32 8.010 4.790 -2.072 1.00 0.00 N ATOM 449 CA GLY A 32 8.413 4.355 -0.758 1.00 0.00 C ATOM 450 C GLY A 32 9.743 3.721 -0.961 1.00 0.00 C ATOM 451 O GLY A 32 10.033 3.215 -2.045 1.00 0.00 O ATOM 0 H GLY A 32 7.631 4.047 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.476 5.194 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.697 3.648 -0.338 1.00 0.00 H new ATOM 455 N THR A 33 10.613 3.738 0.069 1.00 0.00 N ATOM 456 CA THR A 33 11.980 3.337 -0.132 1.00 0.00 C ATOM 457 C THR A 33 12.057 1.848 -0.007 1.00 0.00 C ATOM 458 O THR A 33 12.871 1.193 -0.652 1.00 0.00 O ATOM 459 CB THR A 33 12.936 3.990 0.860 1.00 0.00 C ATOM 460 OG1 THR A 33 12.582 3.725 2.218 1.00 0.00 O ATOM 461 CG2 THR A 33 12.909 5.514 0.613 1.00 0.00 C ATOM 0 H THR A 33 10.381 4.022 1.021 1.00 0.00 H new ATOM 0 HA THR A 33 12.289 3.664 -1.125 1.00 0.00 H new ATOM 0 HB THR A 33 13.931 3.574 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.777 2.788 2.430 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.586 6.008 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.226 5.723 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.897 5.889 0.763 1.00 0.00 H new ATOM 469 N SER A 34 11.217 1.301 0.891 1.00 0.00 N ATOM 470 CA SER A 34 11.402 -0.009 1.415 1.00 0.00 C ATOM 471 C SER A 34 9.990 -0.381 1.683 1.00 0.00 C ATOM 472 O SER A 34 9.181 0.514 1.928 1.00 0.00 O ATOM 473 CB SER A 34 12.184 0.005 2.760 1.00 0.00 C ATOM 474 OG SER A 34 13.155 1.054 2.788 1.00 0.00 O ATOM 0 H SER A 34 10.395 1.781 1.257 1.00 0.00 H new ATOM 0 HA SER A 34 11.965 -0.670 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.486 0.131 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.679 -0.955 2.905 1.00 0.00 H new ATOM 0 HG SER A 34 13.629 1.038 3.646 1.00 0.00 H new ATOM 480 N GLY A 35 9.638 -1.676 1.665 1.00 0.00 N ATOM 481 CA GLY A 35 8.280 -2.062 1.859 1.00 0.00 C ATOM 482 C GLY A 35 8.382 -3.526 2.006 1.00 0.00 C ATOM 483 O GLY A 35 9.495 -4.054 1.951 1.00 0.00 O ATOM 0 H GLY A 35 10.287 -2.449 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.848 -1.595 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.654 -1.782 1.012 1.00 0.00 H new ATOM 487 N HIS A 36 7.236 -4.203 2.210 1.00 0.00 N ATOM 488 CA HIS A 36 7.162 -5.613 2.464 1.00 0.00 C ATOM 489 C HIS A 36 5.700 -5.875 2.269 1.00 0.00 C ATOM 490 O HIS A 36 5.039 -5.082 1.603 1.00 0.00 O ATOM 491 CB HIS A 36 7.684 -6.087 3.850 1.00 0.00 C ATOM 492 CG HIS A 36 7.150 -5.355 5.057 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.170 -5.703 5.924 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 7.710 -4.196 5.529 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 6.142 -4.752 6.908 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 7.085 -3.857 6.649 1.00 0.00 N flip ATOM 0 H HIS A 36 6.322 -3.750 2.198 1.00 0.00 H new ATOM 0 HA HIS A 36 7.824 -6.178 1.808 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.447 -7.145 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.771 -6.002 3.853 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.565 -6.522 5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.521 -3.652 5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.467 -4.734 7.751 1.00 0.00 H new ATOM 505 N CYS A 37 5.140 -6.968 2.819 1.00 0.00 N ATOM 506 CA CYS A 37 3.822 -7.443 2.481 1.00 0.00 C ATOM 507 C CYS A 37 3.096 -7.393 3.783 1.00 0.00 C ATOM 508 O CYS A 37 3.732 -7.325 4.835 1.00 0.00 O ATOM 509 CB CYS A 37 3.890 -8.896 1.940 1.00 0.00 C ATOM 510 SG CYS A 37 2.339 -9.611 1.301 1.00 0.00 S ATOM 0 H CYS A 37 5.612 -7.541 3.518 1.00 0.00 H new ATOM 0 HA CYS A 37 3.338 -6.854 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.632 -8.927 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.256 -9.539 2.740 1.00 0.00 H new ATOM 515 N GLY A 38 1.753 -7.402 3.760 1.00 0.00 N ATOM 516 CA GLY A 38 1.009 -7.314 4.969 1.00 0.00 C ATOM 517 C GLY A 38 -0.375 -7.581 4.506 1.00 0.00 C ATOM 518 O GLY A 38 -0.592 -7.826 3.319 1.00 0.00 O ATOM 0 H GLY A 38 1.190 -7.470 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.340 -8.046 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.101 -6.332 5.433 1.00 0.00 H new ATOM 522 N PHE A 39 -1.348 -7.545 5.435 1.00 0.00 N ATOM 523 CA PHE A 39 -2.722 -7.835 5.167 1.00 0.00 C ATOM 524 C PHE A 39 -3.385 -6.757 5.962 1.00 0.00 C ATOM 525 O PHE A 39 -2.923 -6.450 7.068 1.00 0.00 O ATOM 526 CB PHE A 39 -3.135 -9.234 5.704 1.00 0.00 C ATOM 527 CG PHE A 39 -4.425 -9.743 5.112 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.666 -9.328 5.621 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.404 -10.688 4.072 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.861 -9.843 5.105 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.595 -11.211 3.555 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.827 -10.790 4.073 1.00 0.00 C ATOM 0 H PHE A 39 -1.170 -7.305 6.410 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.973 -7.859 4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.339 -9.947 5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.236 -9.184 6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.699 -8.603 6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.458 -11.015 3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.809 -9.511 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.564 -11.939 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.747 -11.194 3.678 1.00 0.00 H new ATOM 542 N LYS A 40 -4.454 -6.163 5.393 1.00 0.00 N ATOM 543 CA LYS A 40 -5.236 -5.121 5.992 1.00 0.00 C ATOM 544 C LYS A 40 -6.577 -5.766 6.164 1.00 0.00 C ATOM 545 O LYS A 40 -7.365 -5.854 5.219 1.00 0.00 O ATOM 546 CB LYS A 40 -5.369 -3.907 5.039 1.00 0.00 C ATOM 547 CG LYS A 40 -6.432 -2.857 5.404 1.00 0.00 C ATOM 548 CD LYS A 40 -6.160 -2.048 6.678 1.00 0.00 C ATOM 549 CE LYS A 40 -7.278 -1.023 6.925 1.00 0.00 C ATOM 550 NZ LYS A 40 -6.975 -0.137 8.071 1.00 0.00 N ATOM 0 H LYS A 40 -4.790 -6.424 4.466 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.797 -4.745 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.401 -3.408 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.589 -4.281 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.532 -2.163 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.392 -3.362 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.083 -2.721 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.203 -1.534 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.421 -0.420 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.216 -1.547 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.754 0.539 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.864 -0.709 8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.094 0.383 7.884 1.00 0.00 H new ATOM 564 N VAL A 41 -6.883 -6.254 7.385 1.00 0.00 N ATOM 565 CA VAL A 41 -8.111 -6.972 7.632 1.00 0.00 C ATOM 566 C VAL A 41 -9.224 -5.959 7.615 1.00 0.00 C ATOM 567 O VAL A 41 -9.202 -4.996 8.376 1.00 0.00 O ATOM 568 CB VAL A 41 -8.142 -7.747 8.946 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.278 -8.792 8.881 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.779 -8.430 9.197 1.00 0.00 C ATOM 0 H VAL A 41 -6.283 -6.154 8.204 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.215 -7.730 6.855 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.329 -7.064 9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.310 -9.353 9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.231 -8.285 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.095 -9.477 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.815 -8.979 10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.562 -9.120 8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.997 -7.673 9.249 1.00 0.00 H new ATOM 580 N GLY A 42 -10.189 -6.140 6.693 1.00 0.00 N ATOM 581 CA GLY A 42 -11.213 -5.162 6.456 1.00 0.00 C ATOM 582 C GLY A 42 -11.237 -4.950 4.984 1.00 0.00 C ATOM 583 O GLY A 42 -12.291 -4.687 4.412 1.00 0.00 O ATOM 0 H GLY A 42 -10.261 -6.971 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.180 -5.513 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.995 -4.232 6.982 1.00 0.00 H new ATOM 587 N HIS A 43 -10.069 -5.071 4.318 1.00 0.00 N ATOM 588 CA HIS A 43 -9.998 -4.983 2.882 1.00 0.00 C ATOM 589 C HIS A 43 -9.555 -6.329 2.397 1.00 0.00 C ATOM 590 O HIS A 43 -10.321 -7.071 1.786 1.00 0.00 O ATOM 591 CB HIS A 43 -8.990 -3.926 2.377 1.00 0.00 C ATOM 592 CG HIS A 43 -9.451 -2.503 2.548 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.473 -1.602 1.514 1.00 0.00 N ATOM 594 CD2 HIS A 43 -9.802 -1.827 3.666 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.826 -0.420 1.995 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.035 -0.529 3.299 1.00 0.00 N ATOM 0 H HIS A 43 -9.170 -5.230 4.773 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.976 -4.683 2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.047 -4.057 2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.789 -4.107 1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.883 -2.235 4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.927 0.487 1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.321 0.226 3.923 1.00 0.00 H new ATOM 605 N GLY A 44 -8.285 -6.698 2.646 1.00 0.00 N ATOM 606 CA GLY A 44 -7.747 -7.871 2.040 1.00 0.00 C ATOM 607 C GLY A 44 -6.275 -7.750 2.209 1.00 0.00 C ATOM 608 O GLY A 44 -5.788 -6.984 3.045 1.00 0.00 O ATOM 0 H GLY A 44 -7.643 -6.193 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.127 -8.773 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.020 -7.932 0.986 1.00 0.00 H new ATOM 612 N LEU A 45 -5.544 -8.504 1.364 1.00 0.00 N ATOM 613 CA LEU A 45 -4.107 -8.533 1.233 1.00 0.00 C ATOM 614 C LEU A 45 -3.685 -7.170 0.744 1.00 0.00 C ATOM 615 O LEU A 45 -4.409 -6.593 -0.061 1.00 0.00 O ATOM 616 CB LEU A 45 -3.765 -9.630 0.189 1.00 0.00 C ATOM 617 CG LEU A 45 -2.279 -9.937 -0.085 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.527 -10.484 1.141 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.155 -10.929 -1.259 1.00 0.00 C ATOM 0 H LEU A 45 -5.994 -9.150 0.715 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.595 -8.757 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.243 -10.556 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.226 -9.345 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.810 -8.986 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.488 -10.677 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.564 -9.752 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.995 -11.411 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.102 -11.141 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.673 -11.855 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.602 -10.493 -2.152 1.00 0.00 H new ATOM 631 N ALA A 46 -2.563 -6.599 1.232 1.00 0.00 N ATOM 632 CA ALA A 46 -2.210 -5.234 0.935 1.00 0.00 C ATOM 633 C ALA A 46 -0.742 -5.305 0.728 1.00 0.00 C ATOM 634 O ALA A 46 -0.180 -6.388 0.872 1.00 0.00 O ATOM 635 CB ALA A 46 -2.497 -4.277 2.111 1.00 0.00 C ATOM 0 H ALA A 46 -1.897 -7.082 1.834 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.780 -4.851 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.212 -3.262 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.560 -4.303 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.922 -4.589 2.983 1.00 0.00 H new ATOM 641 N CYS A 47 -0.061 -4.170 0.428 1.00 0.00 N ATOM 642 CA CYS A 47 1.390 -4.218 0.491 1.00 0.00 C ATOM 643 C CYS A 47 1.665 -3.312 1.630 1.00 0.00 C ATOM 644 O CYS A 47 0.745 -2.624 2.066 1.00 0.00 O ATOM 645 CB CYS A 47 2.122 -3.722 -0.775 1.00 0.00 C ATOM 646 SG CYS A 47 2.284 -5.004 -2.042 1.00 0.00 S ATOM 0 H CYS A 47 -0.473 -3.276 0.160 1.00 0.00 H new ATOM 0 HA CYS A 47 1.749 -5.242 0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.581 -2.872 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.114 -3.364 -0.498 1.00 0.00 H new ATOM 651 N TRP A 48 2.910 -3.284 2.154 1.00 0.00 N ATOM 652 CA TRP A 48 3.285 -2.351 3.186 1.00 0.00 C ATOM 653 C TRP A 48 4.434 -1.598 2.587 1.00 0.00 C ATOM 654 O TRP A 48 5.179 -2.158 1.784 1.00 0.00 O ATOM 655 CB TRP A 48 3.650 -3.039 4.539 1.00 0.00 C ATOM 656 CG TRP A 48 4.157 -2.120 5.644 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.391 -1.549 5.721 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.423 -1.628 6.783 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.477 -0.714 6.800 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.280 -0.740 7.470 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.133 -1.871 7.236 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.852 -0.069 8.611 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.705 -1.204 8.393 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.549 -0.311 9.067 1.00 0.00 C ATOM 0 H TRP A 48 3.661 -3.910 1.863 1.00 0.00 H new ATOM 0 HA TRP A 48 2.459 -1.697 3.464 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.767 -3.563 4.906 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.411 -3.795 4.345 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.194 -1.732 5.023 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.294 -0.164 7.063 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.479 -2.553 6.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.504 0.618 9.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.709 -1.381 8.771 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.190 0.198 9.950 1.00 0.00 H new ATOM 675 N CYS A 49 4.586 -0.306 2.960 1.00 0.00 N ATOM 676 CA CYS A 49 5.656 0.525 2.495 1.00 0.00 C ATOM 677 C CYS A 49 6.101 1.311 3.675 1.00 0.00 C ATOM 678 O CYS A 49 5.299 1.630 4.553 1.00 0.00 O ATOM 679 CB CYS A 49 5.231 1.555 1.436 1.00 0.00 C ATOM 680 SG CYS A 49 5.323 0.895 -0.238 1.00 0.00 S ATOM 0 H CYS A 49 3.948 0.168 3.600 1.00 0.00 H new ATOM 0 HA CYS A 49 6.411 -0.121 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.211 1.882 1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.869 2.435 1.512 1.00 0.00 H new ATOM 685 N ASN A 50 7.403 1.658 3.681 1.00 0.00 N ATOM 686 CA ASN A 50 7.987 2.548 4.639 1.00 0.00 C ATOM 687 C ASN A 50 8.475 3.682 3.799 1.00 0.00 C ATOM 688 O ASN A 50 8.908 3.478 2.662 1.00 0.00 O ATOM 689 CB ASN A 50 9.232 1.994 5.392 1.00 0.00 C ATOM 690 CG ASN A 50 8.828 1.296 6.697 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.688 0.860 6.887 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.800 1.205 7.652 1.00 0.00 N ATOM 0 H ASN A 50 8.072 1.307 2.995 1.00 0.00 H new ATOM 0 HA ASN A 50 7.248 2.772 5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.765 1.292 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.920 2.810 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.593 0.768 8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.733 1.574 7.467 1.00 0.00 H new ATOM 699 N ALA A 51 8.432 4.898 4.388 1.00 0.00 N ATOM 700 CA ALA A 51 8.983 6.127 3.878 1.00 0.00 C ATOM 701 C ALA A 51 8.256 6.570 2.649 1.00 0.00 C ATOM 702 O ALA A 51 8.873 6.870 1.630 1.00 0.00 O ATOM 703 CB ALA A 51 10.504 6.099 3.626 1.00 0.00 C ATOM 0 H ALA A 51 7.977 5.032 5.291 1.00 0.00 H new ATOM 0 HA ALA A 51 8.834 6.854 4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.827 7.067 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.024 5.886 4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.738 5.324 2.896 1.00 0.00 H new ATOM 709 N LEU A 52 6.909 6.641 2.730 1.00 0.00 N ATOM 710 CA LEU A 52 6.114 7.148 1.635 1.00 0.00 C ATOM 711 C LEU A 52 5.942 8.610 1.920 1.00 0.00 C ATOM 712 O LEU A 52 5.635 8.932 3.066 1.00 0.00 O ATOM 713 CB LEU A 52 4.685 6.559 1.525 1.00 0.00 C ATOM 714 CG LEU A 52 4.633 5.136 0.932 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.243 4.520 1.139 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.008 5.093 -0.561 1.00 0.00 C ATOM 0 H LEU A 52 6.370 6.351 3.546 1.00 0.00 H new ATOM 0 HA LEU A 52 6.628 6.890 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.233 6.544 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.078 7.221 0.907 1.00 0.00 H new ATOM 0 HG LEU A 52 5.380 4.550 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.223 3.516 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.023 4.468 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.494 5.138 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.953 4.065 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.314 5.714 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.022 5.469 -0.692 1.00 0.00 H new ATOM 728 N PRO A 53 6.121 9.529 0.987 1.00 0.00 N ATOM 729 CA PRO A 53 5.894 10.935 1.235 1.00 0.00 C ATOM 730 C PRO A 53 4.419 11.238 1.233 1.00 0.00 C ATOM 731 O PRO A 53 3.587 10.375 0.954 1.00 0.00 O ATOM 732 CB PRO A 53 6.627 11.646 0.087 1.00 0.00 C ATOM 733 CG PRO A 53 6.685 10.621 -1.051 1.00 0.00 C ATOM 734 CD PRO A 53 6.711 9.279 -0.328 1.00 0.00 C ATOM 0 HA PRO A 53 6.260 11.262 2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.096 12.546 -0.221 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.628 11.954 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.820 10.704 -1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.571 10.760 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.143 8.527 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.730 8.903 -0.235 1.00 0.00 H new ATOM 742 N ASP A 54 4.082 12.496 1.546 1.00 0.00 N ATOM 743 CA ASP A 54 2.724 12.932 1.765 1.00 0.00 C ATOM 744 C ASP A 54 1.967 13.189 0.486 1.00 0.00 C ATOM 745 O ASP A 54 0.824 13.642 0.527 1.00 0.00 O ATOM 746 CB ASP A 54 2.707 14.255 2.559 1.00 0.00 C ATOM 747 CG ASP A 54 3.364 14.066 3.928 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.856 13.229 4.721 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.387 14.752 4.197 1.00 0.00 O ATOM 0 H ASP A 54 4.769 13.242 1.653 1.00 0.00 H new ATOM 0 HA ASP A 54 2.244 12.119 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.234 15.028 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.680 14.597 2.686 1.00 0.00 H new ATOM 754 N ASN A 55 2.566 12.907 -0.692 1.00 0.00 N ATOM 755 CA ASN A 55 1.872 13.032 -1.959 1.00 0.00 C ATOM 756 C ASN A 55 1.330 11.687 -2.349 1.00 0.00 C ATOM 757 O ASN A 55 0.770 11.537 -3.432 1.00 0.00 O ATOM 758 CB ASN A 55 2.746 13.577 -3.126 1.00 0.00 C ATOM 759 CG ASN A 55 3.979 12.700 -3.387 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.925 12.749 -2.593 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.951 11.885 -4.479 1.00 0.00 N ATOM 0 H ASN A 55 3.532 12.591 -0.774 1.00 0.00 H new ATOM 0 HA ASN A 55 1.082 13.767 -1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.144 13.633 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.067 14.592 -2.893 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.741 11.270 -4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.140 11.890 -5.098 1.00 0.00 H new ATOM 768 N VAL A 56 1.502 10.677 -1.472 1.00 0.00 N ATOM 769 CA VAL A 56 0.968 9.356 -1.655 1.00 0.00 C ATOM 770 C VAL A 56 -0.195 9.341 -0.693 1.00 0.00 C ATOM 771 O VAL A 56 -0.434 10.326 0.003 1.00 0.00 O ATOM 772 CB VAL A 56 1.993 8.255 -1.370 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.604 6.958 -2.114 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.391 8.740 -1.826 1.00 0.00 C ATOM 0 H VAL A 56 2.030 10.782 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 56 0.675 9.150 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 56 2.013 8.041 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.341 6.183 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.622 6.626 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.575 7.149 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.129 7.962 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.371 8.956 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.659 9.643 -1.278 1.00 0.00 H new ATOM 784 N GLY A 57 -0.958 8.239 -0.611 1.00 0.00 N ATOM 785 CA GLY A 57 -2.086 8.118 0.258 1.00 0.00 C ATOM 786 C GLY A 57 -2.106 6.641 0.383 1.00 0.00 C ATOM 787 O GLY A 57 -1.420 5.974 -0.396 1.00 0.00 O ATOM 0 H GLY A 57 -0.784 7.403 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.941 8.622 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.001 8.519 -0.178 1.00 0.00 H new ATOM 791 N ILE A 58 -2.828 6.102 1.383 1.00 0.00 N ATOM 792 CA ILE A 58 -2.670 4.752 1.829 1.00 0.00 C ATOM 793 C ILE A 58 -4.010 4.480 2.437 1.00 0.00 C ATOM 794 O ILE A 58 -4.910 5.309 2.282 1.00 0.00 O ATOM 795 CB ILE A 58 -1.551 4.579 2.854 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.609 5.632 3.983 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.179 4.596 2.141 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.610 5.306 5.088 1.00 0.00 C ATOM 0 H ILE A 58 -3.542 6.620 1.896 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.384 4.072 1.027 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.692 3.612 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.395 6.620 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.616 5.670 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.615 4.472 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.134 3.781 1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.049 5.547 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.672 6.063 5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.841 4.328 5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.398 5.293 4.675 1.00 0.00 H new ATOM 810 N ILE A 59 -4.171 3.311 3.113 1.00 0.00 N ATOM 811 CA ILE A 59 -5.464 2.737 3.397 1.00 0.00 C ATOM 812 C ILE A 59 -6.230 3.550 4.392 1.00 0.00 C ATOM 813 O ILE A 59 -5.843 3.699 5.551 1.00 0.00 O ATOM 814 CB ILE A 59 -5.499 1.296 3.913 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.244 0.477 3.580 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.786 0.628 3.382 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.995 0.238 2.100 1.00 0.00 C ATOM 0 H ILE A 59 -3.390 2.758 3.467 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.910 2.737 2.402 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.507 1.326 5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.376 0.987 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.318 -0.489 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.834 -0.402 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.656 1.177 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.777 0.636 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.085 -0.349 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.839 -0.303 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.882 1.195 1.591 1.00 0.00 H new ATOM 829 N VAL A 60 -7.384 4.035 3.927 1.00 0.00 N ATOM 830 CA VAL A 60 -8.449 4.603 4.689 1.00 0.00 C ATOM 831 C VAL A 60 -9.449 3.469 4.740 1.00 0.00 C ATOM 832 O VAL A 60 -9.453 2.596 3.872 1.00 0.00 O ATOM 833 CB VAL A 60 -8.941 5.848 3.949 1.00 0.00 C ATOM 834 CG1 VAL A 60 -10.424 6.188 4.181 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.979 7.005 4.292 1.00 0.00 C ATOM 0 H VAL A 60 -7.593 4.031 2.929 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.207 4.944 5.696 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.918 5.652 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.684 7.084 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.045 5.357 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.595 6.364 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.302 7.911 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.985 7.176 5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.970 6.746 3.971 1.00 0.00 H new