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 14 TYR OH : rot 120:sc= 0.00143 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -128:sc=-0.000638 (180deg=-0.0193) USER MOD Set 2.1: A 11 ASN : amide:sc= 1.87 K(o=1.8,f=-6.3!) USER MOD Set 2.2: A 43 HIS :FLIP no HE2:sc= -0.0895 F(o=0.65,f=1.8) USER MOD Single : A 1 VAL N :NH3+ 178:sc= -0.236 (180deg=-0.241) USER MOD Single : A 5 TYR OH : rot -39:sc= 1.24 USER MOD Single : A 8 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00192 USER MOD Single : A 25 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 0.163 (180deg=0.0353) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 34 SER OG : rot 11:sc= 1.04 USER MOD Single : A 36 HIS :FLIP no HE2:sc= 0.112 F(o=-1.9,f=0.11) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 1.06 K(o=1.1,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= 0.267 K(o=0.27,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.802 12.492 5.591 1.00 0.00 N ATOM 2 CA VAL A 1 6.565 11.093 5.148 1.00 0.00 C ATOM 3 C VAL A 1 5.688 10.370 6.140 1.00 0.00 C ATOM 4 O VAL A 1 5.470 10.845 7.255 1.00 0.00 O ATOM 5 CB VAL A 1 7.881 10.327 4.939 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.616 10.882 3.697 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.775 10.356 6.202 1.00 0.00 C ATOM 0 H1 VAL A 1 7.435 12.967 4.916 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.896 13.001 5.634 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.241 12.488 6.534 1.00 0.00 H new ATOM 0 HA VAL A 1 6.055 11.136 4.186 1.00 0.00 H new ATOM 0 HB VAL A 1 7.645 9.278 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.548 10.336 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.985 10.762 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.834 11.940 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.694 9.803 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.018 11.389 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.243 9.897 7.035 1.00 0.00 H new ATOM 19 N ARG A 2 5.160 9.186 5.754 1.00 0.00 N ATOM 20 CA ARG A 2 4.469 8.307 6.665 1.00 0.00 C ATOM 21 C ARG A 2 4.939 6.921 6.348 1.00 0.00 C ATOM 22 O ARG A 2 5.811 6.738 5.496 1.00 0.00 O ATOM 23 CB ARG A 2 2.916 8.395 6.642 1.00 0.00 C ATOM 24 CG ARG A 2 2.154 7.888 5.395 1.00 0.00 C ATOM 25 CD ARG A 2 2.266 8.768 4.136 1.00 0.00 C ATOM 26 NE ARG A 2 1.036 8.595 3.276 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.132 9.258 3.540 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.258 10.078 4.625 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.188 9.099 2.693 1.00 0.00 N ATOM 0 H ARG A 2 5.212 8.833 4.799 1.00 0.00 H new ATOM 0 HA ARG A 2 4.712 8.615 7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.542 7.841 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.643 9.440 6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.518 6.890 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.100 7.788 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.376 9.814 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.157 8.496 3.570 1.00 0.00 H new ATOM 0 HE ARG A 2 1.077 7.965 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.529 10.207 5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.139 10.561 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.101 8.493 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.066 9.586 2.875 1.00 0.00 H new ATOM 43 N ASP A 3 4.375 5.904 7.038 1.00 0.00 N ATOM 44 CA ASP A 3 4.652 4.513 6.813 1.00 0.00 C ATOM 45 C ASP A 3 3.242 4.032 6.811 1.00 0.00 C ATOM 46 O ASP A 3 2.430 4.609 7.540 1.00 0.00 O ATOM 47 CB ASP A 3 5.402 3.794 7.969 1.00 0.00 C ATOM 48 CG ASP A 3 6.681 4.551 8.335 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.573 4.679 7.458 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.779 5.012 9.504 1.00 0.00 O ATOM 0 H ASP A 3 3.697 6.059 7.784 1.00 0.00 H new ATOM 0 HA ASP A 3 5.286 4.336 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.753 3.723 8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.649 2.775 7.671 1.00 0.00 H new ATOM 55 N GLY A 4 2.888 3.041 5.970 1.00 0.00 N ATOM 56 CA GLY A 4 1.540 2.558 6.001 1.00 0.00 C ATOM 57 C GLY A 4 1.542 1.231 5.345 1.00 0.00 C ATOM 58 O GLY A 4 2.550 0.824 4.765 1.00 0.00 O ATOM 0 H GLY A 4 3.505 2.590 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.181 2.481 7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.872 3.245 5.481 1.00 0.00 H new ATOM 62 N TYR A 5 0.350 0.589 5.328 1.00 0.00 N ATOM 63 CA TYR A 5 0.021 -0.423 4.364 1.00 0.00 C ATOM 64 C TYR A 5 -0.336 0.403 3.161 1.00 0.00 C ATOM 65 O TYR A 5 -1.124 1.336 3.289 1.00 0.00 O ATOM 66 CB TYR A 5 -1.222 -1.257 4.745 1.00 0.00 C ATOM 67 CG TYR A 5 -0.945 -2.266 5.816 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.498 -3.550 5.467 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.229 -1.982 7.165 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.403 -4.552 6.438 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.124 -2.982 8.141 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.742 -4.277 7.769 1.00 0.00 C ATOM 73 OH TYR A 5 -0.802 -5.327 8.708 1.00 0.00 O ATOM 0 H TYR A 5 -0.397 0.778 5.997 1.00 0.00 H new ATOM 0 HA TYR A 5 0.835 -1.138 4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.013 -0.587 5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.594 -1.770 3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.226 -3.765 4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.530 -0.985 7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.067 -5.540 6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.337 -2.755 9.175 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.195 -6.120 8.287 1.00 0.00 H new ATOM 83 N ILE A 6 0.262 0.135 1.983 1.00 0.00 N ATOM 84 CA ILE A 6 0.088 0.978 0.834 1.00 0.00 C ATOM 85 C ILE A 6 -1.112 0.432 0.115 1.00 0.00 C ATOM 86 O ILE A 6 -1.285 -0.796 -0.019 1.00 0.00 O ATOM 87 CB ILE A 6 1.318 1.189 -0.060 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.085 2.279 -1.145 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.796 -0.142 -0.653 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.293 2.544 -2.055 1.00 0.00 C ATOM 0 H ILE A 6 0.869 -0.669 1.825 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.068 2.005 1.163 1.00 0.00 H new ATOM 0 HB ILE A 6 2.121 1.572 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.239 1.981 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.807 3.210 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.668 0.033 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.062 -0.825 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.998 -0.581 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.040 3.317 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.138 2.875 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.560 1.627 -2.581 1.00 0.00 H new ATOM 102 N ALA A 7 -1.955 1.418 -0.275 1.00 0.00 N ATOM 103 CA ALA A 7 -3.177 1.282 -1.015 1.00 0.00 C ATOM 104 C ALA A 7 -2.904 1.493 -2.469 1.00 0.00 C ATOM 105 O ALA A 7 -1.847 1.130 -2.970 1.00 0.00 O ATOM 106 CB ALA A 7 -4.258 2.294 -0.582 1.00 0.00 C ATOM 0 H ALA A 7 -1.759 2.393 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.552 0.278 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.158 2.142 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.491 2.148 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.889 3.308 -0.735 1.00 0.00 H new ATOM 112 N GLN A 8 -3.890 2.078 -3.173 1.00 0.00 N ATOM 113 CA GLN A 8 -3.877 2.486 -4.537 1.00 0.00 C ATOM 114 C GLN A 8 -4.837 3.633 -4.367 1.00 0.00 C ATOM 115 O GLN A 8 -5.497 3.666 -3.321 1.00 0.00 O ATOM 116 CB GLN A 8 -4.542 1.482 -5.519 1.00 0.00 C ATOM 117 CG GLN A 8 -4.047 0.038 -5.372 1.00 0.00 C ATOM 118 CD GLN A 8 -4.882 -0.862 -6.283 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.826 -0.725 -7.512 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.673 -1.798 -5.685 1.00 0.00 N ATOM 0 H GLN A 8 -4.788 2.284 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.879 2.645 -4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.621 1.502 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.359 1.815 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.992 -0.029 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.135 -0.288 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.690 -1.877 -4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.248 -2.419 -6.254 1.00 0.00 H new ATOM 129 N PRO A 9 -5.004 4.533 -5.326 1.00 0.00 N ATOM 130 CA PRO A 9 -6.192 5.368 -5.441 1.00 0.00 C ATOM 131 C PRO A 9 -7.369 4.457 -5.734 1.00 0.00 C ATOM 132 O PRO A 9 -7.127 3.399 -6.311 1.00 0.00 O ATOM 133 CB PRO A 9 -5.895 6.279 -6.649 1.00 0.00 C ATOM 134 CG PRO A 9 -4.364 6.302 -6.742 1.00 0.00 C ATOM 135 CD PRO A 9 -3.981 4.888 -6.308 1.00 0.00 C ATOM 0 HA PRO A 9 -6.423 5.948 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.343 5.887 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.299 7.280 -6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.023 6.522 -7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.930 7.058 -6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.980 4.198 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.982 4.860 -5.872 1.00 0.00 H new ATOM 143 N GLU A 10 -8.627 4.762 -5.354 1.00 0.00 N ATOM 144 CA GLU A 10 -9.108 5.991 -4.769 1.00 0.00 C ATOM 145 C GLU A 10 -8.822 5.977 -3.300 1.00 0.00 C ATOM 146 O GLU A 10 -8.206 6.891 -2.759 1.00 0.00 O ATOM 147 CB GLU A 10 -10.627 6.126 -5.033 1.00 0.00 C ATOM 148 CG GLU A 10 -10.913 6.576 -6.481 1.00 0.00 C ATOM 149 CD GLU A 10 -10.352 7.978 -6.707 1.00 0.00 C ATOM 150 OE1 GLU A 10 -10.829 8.923 -6.023 1.00 0.00 O ATOM 151 OE2 GLU A 10 -9.433 8.121 -7.557 1.00 0.00 O ATOM 0 H GLU A 10 -9.382 4.085 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.603 6.846 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.116 5.170 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.056 6.846 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.462 5.876 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.987 6.569 -6.668 1.00 0.00 H new ATOM 158 N ASN A 11 -9.227 4.889 -2.642 1.00 0.00 N ATOM 159 CA ASN A 11 -8.780 4.483 -1.356 1.00 0.00 C ATOM 160 C ASN A 11 -8.882 3.045 -1.713 1.00 0.00 C ATOM 161 O ASN A 11 -9.744 2.701 -2.527 1.00 0.00 O ATOM 162 CB ASN A 11 -9.738 4.770 -0.178 1.00 0.00 C ATOM 163 CG ASN A 11 -9.226 4.043 1.068 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.028 4.104 1.370 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.130 3.302 1.767 1.00 0.00 N ATOM 0 H ASN A 11 -9.915 4.247 -3.036 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.856 4.941 -1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.795 5.842 0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.746 4.435 -0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.829 2.765 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.108 3.285 1.477 1.00 0.00 H new ATOM 172 N CYS A 12 -8.012 2.201 -1.158 1.00 0.00 N ATOM 173 CA CYS A 12 -7.977 0.830 -1.569 1.00 0.00 C ATOM 174 C CYS A 12 -7.026 0.139 -0.658 1.00 0.00 C ATOM 175 O CYS A 12 -6.680 0.677 0.390 1.00 0.00 O ATOM 176 CB CYS A 12 -7.593 0.643 -3.070 1.00 0.00 C ATOM 177 SG CYS A 12 -8.963 -0.031 -4.062 1.00 0.00 S ATOM 0 H CYS A 12 -7.338 2.453 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.975 0.398 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.286 1.603 -3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.734 -0.025 -3.141 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.581 -0.160 -5.298 1.00 0.00 H new ATOM 182 N VAL A 13 -6.586 -1.071 -1.045 1.00 0.00 N ATOM 183 CA VAL A 13 -5.421 -1.714 -0.529 1.00 0.00 C ATOM 184 C VAL A 13 -4.759 -1.953 -1.840 1.00 0.00 C ATOM 185 O VAL A 13 -5.442 -1.916 -2.872 1.00 0.00 O ATOM 186 CB VAL A 13 -5.646 -3.040 0.188 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.947 -2.782 1.675 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.762 -3.860 -0.494 1.00 0.00 C ATOM 0 H VAL A 13 -7.067 -1.627 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.905 -1.137 0.239 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.737 -3.637 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.107 -3.732 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.104 -2.263 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.843 -2.167 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.900 -4.801 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.693 -3.293 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.482 -4.066 -1.527 1.00 0.00 H new ATOM 198 N TYR A 14 -3.430 -2.218 -1.852 1.00 0.00 N ATOM 199 CA TYR A 14 -2.813 -2.798 -3.020 1.00 0.00 C ATOM 200 C TYR A 14 -3.115 -4.272 -2.957 1.00 0.00 C ATOM 201 O TYR A 14 -4.114 -4.691 -2.388 1.00 0.00 O ATOM 202 CB TYR A 14 -1.299 -2.450 -3.212 1.00 0.00 C ATOM 203 CG TYR A 14 -0.997 -1.874 -4.581 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.507 -2.479 -5.750 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.198 -0.724 -4.720 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.274 -1.917 -7.013 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.036 -0.161 -5.981 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.517 -0.745 -7.128 1.00 0.00 C ATOM 209 OH TYR A 14 -0.327 -0.146 -8.391 1.00 0.00 O ATOM 0 H TYR A 14 -2.796 -2.036 -1.074 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.234 -2.358 -3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.996 -1.735 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.702 -3.350 -3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.085 -3.388 -5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.240 -0.270 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.678 -2.388 -7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.645 0.727 -6.069 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.692 0.763 -8.380 1.00 0.00 H new ATOM 219 N HIS A 15 -2.262 -5.115 -3.525 1.00 0.00 N ATOM 220 CA HIS A 15 -2.292 -6.507 -3.220 1.00 0.00 C ATOM 221 C HIS A 15 -0.829 -6.709 -3.166 1.00 0.00 C ATOM 222 O HIS A 15 -0.072 -5.758 -3.378 1.00 0.00 O ATOM 223 CB HIS A 15 -2.981 -7.419 -4.260 1.00 0.00 C ATOM 224 CG HIS A 15 -4.477 -7.412 -4.084 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.299 -6.448 -4.609 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.244 -8.194 -3.289 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.525 -6.643 -4.140 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.519 -7.697 -3.338 1.00 0.00 N ATOM 0 H HIS A 15 -1.546 -4.841 -4.198 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.878 -6.766 -2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.729 -7.083 -5.266 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.605 -8.437 -4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.912 -9.051 -2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.389 -6.039 -4.375 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.326 -8.074 -2.842 1.00 0.00 H new ATOM 237 N CYS A 16 -0.393 -7.930 -2.847 1.00 0.00 N ATOM 238 CA CYS A 16 0.974 -8.236 -2.647 1.00 0.00 C ATOM 239 C CYS A 16 0.984 -9.536 -3.362 1.00 0.00 C ATOM 240 O CYS A 16 -0.074 -10.126 -3.597 1.00 0.00 O ATOM 241 CB CYS A 16 1.340 -8.410 -1.144 1.00 0.00 C ATOM 242 SG CYS A 16 3.005 -9.071 -0.815 1.00 0.00 S ATOM 0 H CYS A 16 -1.014 -8.730 -2.725 1.00 0.00 H new ATOM 0 HA CYS A 16 1.684 -7.480 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.248 -7.442 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.607 -9.073 -0.684 1.00 0.00 H new ATOM 247 N PHE A 17 2.194 -9.982 -3.711 1.00 0.00 N ATOM 248 CA PHE A 17 2.483 -11.257 -4.260 1.00 0.00 C ATOM 249 C PHE A 17 3.323 -11.732 -3.120 1.00 0.00 C ATOM 250 O PHE A 17 4.357 -11.084 -2.936 1.00 0.00 O ATOM 251 CB PHE A 17 3.386 -11.154 -5.514 1.00 0.00 C ATOM 252 CG PHE A 17 2.668 -10.410 -6.608 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.678 -9.002 -6.669 1.00 0.00 C ATOM 254 CD2 PHE A 17 1.971 -11.127 -7.593 1.00 0.00 C ATOM 255 CE1 PHE A 17 2.002 -8.329 -7.694 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.286 -10.457 -8.612 1.00 0.00 C ATOM 257 CZ PHE A 17 1.302 -9.057 -8.664 1.00 0.00 C ATOM 0 H PHE A 17 3.030 -9.408 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 17 1.622 -11.849 -4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.314 -10.640 -5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.657 -12.152 -5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.212 -8.437 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.964 -12.207 -7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.020 -7.250 -7.736 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.745 -11.019 -9.359 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.775 -8.540 -9.452 1.00 0.00 H new ATOM 267 N PRO A 18 2.982 -12.722 -2.294 1.00 0.00 N ATOM 268 CA PRO A 18 3.784 -13.050 -1.115 1.00 0.00 C ATOM 269 C PRO A 18 5.130 -13.687 -1.402 1.00 0.00 C ATOM 270 O PRO A 18 5.472 -14.682 -0.770 1.00 0.00 O ATOM 271 CB PRO A 18 2.896 -14.024 -0.331 1.00 0.00 C ATOM 272 CG PRO A 18 1.477 -13.530 -0.619 1.00 0.00 C ATOM 273 CD PRO A 18 1.573 -13.095 -2.084 1.00 0.00 C ATOM 0 HA PRO A 18 4.048 -12.136 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.038 -15.052 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.120 -14.001 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.736 -14.316 -0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.194 -12.703 0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.277 -13.903 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.910 -12.254 -2.288 1.00 0.00 H new ATOM 281 N GLY A 19 5.928 -13.100 -2.306 1.00 0.00 N ATOM 282 CA GLY A 19 7.307 -13.433 -2.522 1.00 0.00 C ATOM 283 C GLY A 19 8.039 -12.140 -2.401 1.00 0.00 C ATOM 284 O GLY A 19 9.181 -12.025 -2.843 1.00 0.00 O ATOM 0 H GLY A 19 5.599 -12.355 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.659 -14.156 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.456 -13.880 -3.505 1.00 0.00 H new ATOM 288 N SER A 20 7.370 -11.123 -1.801 1.00 0.00 N ATOM 289 CA SER A 20 7.894 -9.830 -1.425 1.00 0.00 C ATOM 290 C SER A 20 8.101 -8.932 -2.619 1.00 0.00 C ATOM 291 O SER A 20 7.590 -7.810 -2.655 1.00 0.00 O ATOM 292 CB SER A 20 9.146 -9.913 -0.519 1.00 0.00 C ATOM 293 OG SER A 20 8.876 -10.782 0.582 1.00 0.00 O ATOM 0 H SER A 20 6.383 -11.214 -1.560 1.00 0.00 H new ATOM 0 HA SER A 20 7.124 -9.364 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.998 -10.284 -1.089 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.413 -8.920 -0.157 1.00 0.00 H new ATOM 0 HG SER A 20 9.668 -10.838 1.157 1.00 0.00 H new ATOM 299 N SER A 21 8.834 -9.430 -3.636 1.00 0.00 N ATOM 300 CA SER A 21 9.321 -8.720 -4.791 1.00 0.00 C ATOM 301 C SER A 21 8.298 -7.923 -5.548 1.00 0.00 C ATOM 302 O SER A 21 8.580 -6.799 -5.954 1.00 0.00 O ATOM 303 CB SER A 21 10.041 -9.671 -5.768 1.00 0.00 C ATOM 304 OG SER A 21 11.007 -10.433 -5.051 1.00 0.00 O ATOM 0 H SER A 21 9.110 -10.412 -3.653 1.00 0.00 H new ATOM 0 HA SER A 21 10.015 -7.993 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.320 -10.333 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.525 -9.100 -6.560 1.00 0.00 H new ATOM 0 HG SER A 21 11.467 -11.041 -5.667 1.00 0.00 H new ATOM 310 N GLY A 22 7.076 -8.453 -5.755 1.00 0.00 N ATOM 311 CA GLY A 22 6.088 -7.750 -6.546 1.00 0.00 C ATOM 312 C GLY A 22 5.521 -6.571 -5.800 1.00 0.00 C ATOM 313 O GLY A 22 5.183 -5.544 -6.387 1.00 0.00 O ATOM 0 H GLY A 22 6.768 -9.352 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.541 -7.409 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.282 -8.433 -6.815 1.00 0.00 H new ATOM 317 N CYS A 23 5.434 -6.683 -4.457 1.00 0.00 N ATOM 318 CA CYS A 23 4.951 -5.633 -3.585 1.00 0.00 C ATOM 319 C CYS A 23 6.051 -4.628 -3.486 1.00 0.00 C ATOM 320 O CYS A 23 5.815 -3.435 -3.671 1.00 0.00 O ATOM 321 CB CYS A 23 4.559 -6.187 -2.185 1.00 0.00 C ATOM 322 SG CYS A 23 4.505 -5.053 -0.754 1.00 0.00 S ATOM 0 H CYS A 23 5.707 -7.529 -3.956 1.00 0.00 H new ATOM 0 HA CYS A 23 4.045 -5.181 -3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.573 -6.643 -2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.259 -6.987 -1.942 1.00 0.00 H new ATOM 327 N ASP A 24 7.293 -5.100 -3.230 1.00 0.00 N ATOM 328 CA ASP A 24 8.458 -4.253 -3.137 1.00 0.00 C ATOM 329 C ASP A 24 8.624 -3.453 -4.408 1.00 0.00 C ATOM 330 O ASP A 24 8.843 -2.252 -4.338 1.00 0.00 O ATOM 331 CB ASP A 24 9.752 -5.039 -2.805 1.00 0.00 C ATOM 332 CG ASP A 24 10.874 -4.074 -2.409 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.694 -3.346 -1.396 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.916 -4.050 -3.117 1.00 0.00 O ATOM 0 H ASP A 24 7.494 -6.089 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 24 8.292 -3.572 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.562 -5.739 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.059 -5.629 -3.669 1.00 0.00 H new ATOM 339 N THR A 25 8.447 -4.060 -5.599 1.00 0.00 N ATOM 340 CA THR A 25 8.513 -3.339 -6.861 1.00 0.00 C ATOM 341 C THR A 25 7.517 -2.188 -6.918 1.00 0.00 C ATOM 342 O THR A 25 7.885 -1.065 -7.268 1.00 0.00 O ATOM 343 CB THR A 25 8.275 -4.247 -8.054 1.00 0.00 C ATOM 344 OG1 THR A 25 9.153 -5.371 -8.015 1.00 0.00 O ATOM 345 CG2 THR A 25 8.532 -3.499 -9.380 1.00 0.00 C ATOM 0 H THR A 25 8.256 -5.057 -5.700 1.00 0.00 H new ATOM 0 HA THR A 25 9.526 -2.939 -6.913 1.00 0.00 H new ATOM 0 HB THR A 25 7.236 -4.573 -8.004 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.771 -6.065 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.354 -4.173 -10.218 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.859 -2.645 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.565 -3.151 -9.407 1.00 0.00 H new ATOM 353 N LEU A 26 6.235 -2.433 -6.542 1.00 0.00 N ATOM 354 CA LEU A 26 5.193 -1.425 -6.547 1.00 0.00 C ATOM 355 C LEU A 26 5.500 -0.357 -5.538 1.00 0.00 C ATOM 356 O LEU A 26 5.379 0.837 -5.801 1.00 0.00 O ATOM 357 CB LEU A 26 3.796 -1.985 -6.204 1.00 0.00 C ATOM 358 CG LEU A 26 3.229 -2.908 -7.304 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.077 -3.768 -6.753 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.808 -2.109 -8.556 1.00 0.00 C ATOM 0 H LEU A 26 5.914 -3.349 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 26 5.172 -1.033 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.853 -2.538 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.108 -1.155 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 26 4.023 -3.585 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.692 -4.411 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.443 -4.384 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.279 -3.119 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.414 -2.792 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.039 -1.386 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.673 -1.584 -8.961 1.00 0.00 H new ATOM 372 N CYS A 27 5.951 -0.780 -4.344 1.00 0.00 N ATOM 373 CA CYS A 27 6.368 0.099 -3.277 1.00 0.00 C ATOM 374 C CYS A 27 7.474 1.015 -3.740 1.00 0.00 C ATOM 375 O CYS A 27 7.414 2.225 -3.516 1.00 0.00 O ATOM 376 CB CYS A 27 6.844 -0.700 -2.035 1.00 0.00 C ATOM 377 SG CYS A 27 7.097 0.320 -0.558 1.00 0.00 S ATOM 0 H CYS A 27 6.031 -1.768 -4.105 1.00 0.00 H new ATOM 0 HA CYS A 27 5.501 0.696 -2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.110 -1.473 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.777 -1.208 -2.278 1.00 0.00 H new ATOM 382 N LYS A 28 8.493 0.462 -4.438 1.00 0.00 N ATOM 383 CA LYS A 28 9.649 1.219 -4.866 1.00 0.00 C ATOM 384 C LYS A 28 9.253 2.238 -5.898 1.00 0.00 C ATOM 385 O LYS A 28 9.683 3.385 -5.811 1.00 0.00 O ATOM 386 CB LYS A 28 10.785 0.349 -5.471 1.00 0.00 C ATOM 387 CG LYS A 28 11.533 -0.536 -4.454 1.00 0.00 C ATOM 388 CD LYS A 28 12.468 0.219 -3.493 1.00 0.00 C ATOM 389 CE LYS A 28 13.184 -0.739 -2.528 1.00 0.00 C ATOM 390 NZ LYS A 28 14.124 -0.019 -1.641 1.00 0.00 N ATOM 0 H LYS A 28 8.519 -0.521 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 28 10.033 1.689 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.361 -0.291 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.505 1.005 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.799 -1.085 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.119 -1.274 -5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.207 0.777 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.892 0.948 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.446 -1.267 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.727 -1.493 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.914 -0.647 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.491 0.821 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.628 0.276 -0.776 1.00 0.00 H new ATOM 404 N GLU A 29 8.414 1.856 -6.892 1.00 0.00 N ATOM 405 CA GLU A 29 8.038 2.767 -7.959 1.00 0.00 C ATOM 406 C GLU A 29 7.108 3.855 -7.472 1.00 0.00 C ATOM 407 O GLU A 29 7.135 4.968 -7.994 1.00 0.00 O ATOM 408 CB GLU A 29 7.431 2.075 -9.210 1.00 0.00 C ATOM 409 CG GLU A 29 6.118 1.323 -8.953 1.00 0.00 C ATOM 410 CD GLU A 29 5.707 0.485 -10.161 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.490 -0.426 -10.546 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.597 0.732 -10.702 1.00 0.00 O ATOM 0 H GLU A 29 7.997 0.928 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 29 8.981 3.213 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.258 2.829 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.163 1.374 -9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.232 0.677 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.328 2.037 -8.719 1.00 0.00 H new ATOM 419 N LYS A 30 6.266 3.573 -6.447 1.00 0.00 N ATOM 420 CA LYS A 30 5.396 4.574 -5.860 1.00 0.00 C ATOM 421 C LYS A 30 6.186 5.465 -4.938 1.00 0.00 C ATOM 422 O LYS A 30 5.913 6.661 -4.837 1.00 0.00 O ATOM 423 CB LYS A 30 4.211 3.971 -5.071 1.00 0.00 C ATOM 424 CG LYS A 30 3.186 3.224 -5.947 1.00 0.00 C ATOM 425 CD LYS A 30 2.452 4.117 -6.965 1.00 0.00 C ATOM 426 CE LYS A 30 1.329 3.391 -7.722 1.00 0.00 C ATOM 427 NZ LYS A 30 1.851 2.237 -8.491 1.00 0.00 N ATOM 0 H LYS A 30 6.185 2.650 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 30 4.981 5.141 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.601 3.283 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.700 4.771 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.698 2.426 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.449 2.750 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.031 4.977 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.174 4.502 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.575 3.047 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.836 4.088 -8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.531 2.304 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.891 2.243 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.499 1.353 -8.072 1.00 0.00 H new ATOM 441 N GLY A 31 7.208 4.904 -4.264 1.00 0.00 N ATOM 442 CA GLY A 31 8.260 5.693 -3.673 1.00 0.00 C ATOM 443 C GLY A 31 8.320 5.473 -2.202 1.00 0.00 C ATOM 444 O GLY A 31 8.488 6.426 -1.445 1.00 0.00 O ATOM 0 H GLY A 31 7.311 3.899 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.216 5.429 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.090 6.749 -3.881 1.00 0.00 H new ATOM 448 N GLY A 32 8.201 4.201 -1.755 1.00 0.00 N ATOM 449 CA GLY A 32 8.552 3.801 -0.417 1.00 0.00 C ATOM 450 C GLY A 32 9.903 3.173 -0.527 1.00 0.00 C ATOM 451 O GLY A 32 10.192 2.461 -1.489 1.00 0.00 O ATOM 0 H GLY A 32 7.854 3.436 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.572 4.658 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.824 3.097 -0.015 1.00 0.00 H new ATOM 455 N THR A 33 10.787 3.448 0.454 1.00 0.00 N ATOM 456 CA THR A 33 12.191 3.130 0.370 1.00 0.00 C ATOM 457 C THR A 33 12.463 1.819 1.058 1.00 0.00 C ATOM 458 O THR A 33 13.595 1.337 1.122 1.00 0.00 O ATOM 459 CB THR A 33 13.005 4.231 1.019 1.00 0.00 C ATOM 460 OG1 THR A 33 12.428 4.612 2.266 1.00 0.00 O ATOM 461 CG2 THR A 33 12.983 5.460 0.087 1.00 0.00 C ATOM 0 H THR A 33 10.524 3.902 1.328 1.00 0.00 H new ATOM 0 HA THR A 33 12.475 3.045 -0.679 1.00 0.00 H new ATOM 0 HB THR A 33 14.021 3.873 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.967 5.323 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.564 6.267 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.416 5.193 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.954 5.790 -0.056 1.00 0.00 H new ATOM 469 N SER A 34 11.427 1.211 1.639 1.00 0.00 N ATOM 470 CA SER A 34 11.497 -0.108 2.168 1.00 0.00 C ATOM 471 C SER A 34 10.044 -0.387 2.186 1.00 0.00 C ATOM 472 O SER A 34 9.249 0.540 2.003 1.00 0.00 O ATOM 473 CB SER A 34 12.091 -0.184 3.588 1.00 0.00 C ATOM 474 OG SER A 34 13.485 0.077 3.519 1.00 0.00 O ATOM 0 H SER A 34 10.511 1.648 1.746 1.00 0.00 H new ATOM 0 HA SER A 34 12.138 -0.792 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.604 0.541 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.913 -1.169 4.019 1.00 0.00 H new ATOM 0 HG SER A 34 13.712 0.410 2.626 1.00 0.00 H new ATOM 480 N GLY A 35 9.660 -1.651 2.402 1.00 0.00 N ATOM 481 CA GLY A 35 8.297 -2.026 2.346 1.00 0.00 C ATOM 482 C GLY A 35 8.356 -3.333 3.012 1.00 0.00 C ATOM 483 O GLY A 35 9.425 -3.735 3.474 1.00 0.00 O ATOM 0 H GLY A 35 10.301 -2.415 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.651 -1.322 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.928 -2.097 1.323 1.00 0.00 H new ATOM 487 N HIS A 36 7.205 -4.004 3.091 1.00 0.00 N ATOM 488 CA HIS A 36 7.023 -5.244 3.765 1.00 0.00 C ATOM 489 C HIS A 36 5.788 -5.627 3.020 1.00 0.00 C ATOM 490 O HIS A 36 5.353 -4.893 2.133 1.00 0.00 O ATOM 491 CB HIS A 36 6.726 -5.144 5.287 1.00 0.00 C ATOM 492 CG HIS A 36 7.852 -4.560 6.107 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.303 -3.284 6.199 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 8.594 -5.307 6.983 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 9.312 -3.274 7.121 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 9.467 -4.506 7.583 1.00 0.00 N flip ATOM 0 H HIS A 36 6.347 -3.662 2.658 1.00 0.00 H new ATOM 0 HA HIS A 36 7.890 -5.905 3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.834 -4.534 5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.496 -6.140 5.666 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.954 -2.481 5.677 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.487 -6.368 7.156 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.885 -2.409 7.422 1.00 0.00 H new ATOM 505 N CYS A 37 5.159 -6.752 3.351 1.00 0.00 N ATOM 506 CA CYS A 37 4.011 -7.258 2.672 1.00 0.00 C ATOM 507 C CYS A 37 3.299 -7.704 3.891 1.00 0.00 C ATOM 508 O CYS A 37 3.971 -8.025 4.875 1.00 0.00 O ATOM 509 CB CYS A 37 4.388 -8.465 1.775 1.00 0.00 C ATOM 510 SG CYS A 37 3.010 -9.481 1.156 1.00 0.00 S ATOM 0 H CYS A 37 5.459 -7.342 4.127 1.00 0.00 H new ATOM 0 HA CYS A 37 3.482 -6.582 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.948 -8.091 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.062 -9.111 2.338 1.00 0.00 H new ATOM 515 N GLY A 38 1.956 -7.711 3.896 1.00 0.00 N ATOM 516 CA GLY A 38 1.251 -8.093 5.072 1.00 0.00 C ATOM 517 C GLY A 38 -0.159 -8.010 4.630 1.00 0.00 C ATOM 518 O GLY A 38 -0.429 -7.730 3.458 1.00 0.00 O ATOM 0 H GLY A 38 1.369 -7.457 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.517 -9.098 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.457 -7.422 5.906 1.00 0.00 H new ATOM 522 N PHE A 39 -1.089 -8.260 5.570 1.00 0.00 N ATOM 523 CA PHE A 39 -2.501 -8.266 5.337 1.00 0.00 C ATOM 524 C PHE A 39 -2.915 -7.154 6.251 1.00 0.00 C ATOM 525 O PHE A 39 -2.321 -7.023 7.326 1.00 0.00 O ATOM 526 CB PHE A 39 -3.116 -9.620 5.792 1.00 0.00 C ATOM 527 CG PHE A 39 -4.386 -9.969 5.069 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.346 -10.673 3.854 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.632 -9.667 5.633 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.529 -11.058 3.212 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.819 -10.046 4.995 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.770 -10.744 3.782 1.00 0.00 C ATOM 0 H PHE A 39 -0.845 -8.468 6.538 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.808 -8.145 4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.386 -10.414 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.315 -9.579 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.393 -10.920 3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.678 -9.135 6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.485 -11.597 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.773 -9.800 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.684 -11.039 3.288 1.00 0.00 H new ATOM 542 N LYS A 40 -3.893 -6.310 5.842 1.00 0.00 N ATOM 543 CA LYS A 40 -4.306 -5.179 6.658 1.00 0.00 C ATOM 544 C LYS A 40 -5.484 -5.580 7.479 1.00 0.00 C ATOM 545 O LYS A 40 -5.724 -5.089 8.580 1.00 0.00 O ATOM 546 CB LYS A 40 -4.627 -3.912 5.818 1.00 0.00 C ATOM 547 CG LYS A 40 -4.914 -2.636 6.642 1.00 0.00 C ATOM 548 CD LYS A 40 -6.403 -2.334 6.899 1.00 0.00 C ATOM 549 CE LYS A 40 -6.619 -0.998 7.623 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.060 -0.731 7.847 1.00 0.00 N ATOM 0 H LYS A 40 -4.396 -6.402 4.960 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.471 -4.908 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.788 -3.714 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.492 -4.122 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.408 -2.724 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.472 -1.784 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.936 -2.318 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.836 -3.139 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.097 -1.012 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.185 -0.189 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.172 0.179 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.552 -0.694 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.468 -1.491 8.429 1.00 0.00 H new ATOM 564 N VAL A 41 -6.233 -6.524 6.899 1.00 0.00 N ATOM 565 CA VAL A 41 -7.567 -6.965 7.211 1.00 0.00 C ATOM 566 C VAL A 41 -8.437 -5.811 6.743 1.00 0.00 C ATOM 567 O VAL A 41 -7.955 -4.956 5.997 1.00 0.00 O ATOM 568 CB VAL A 41 -7.766 -7.445 8.651 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.019 -8.339 8.794 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.546 -8.262 9.150 1.00 0.00 C ATOM 0 H VAL A 41 -5.860 -7.049 6.108 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.842 -7.888 6.701 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.887 -6.543 9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.122 -8.657 9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.904 -7.776 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.916 -9.215 8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.721 -8.587 10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.407 -9.134 8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.652 -7.639 9.114 1.00 0.00 H new ATOM 580 N GLY A 42 -9.737 -5.745 7.109 1.00 0.00 N ATOM 581 CA GLY A 42 -10.610 -4.645 6.759 1.00 0.00 C ATOM 582 C GLY A 42 -11.021 -4.738 5.320 1.00 0.00 C ATOM 583 O GLY A 42 -12.171 -5.010 4.993 1.00 0.00 O ATOM 0 H GLY A 42 -10.196 -6.470 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.494 -4.657 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.101 -3.698 6.937 1.00 0.00 H new ATOM 587 N HIS A 43 -10.050 -4.497 4.425 1.00 0.00 N ATOM 588 CA HIS A 43 -10.176 -4.603 3.003 1.00 0.00 C ATOM 589 C HIS A 43 -9.582 -5.933 2.623 1.00 0.00 C ATOM 590 O HIS A 43 -10.255 -6.759 2.014 1.00 0.00 O ATOM 591 CB HIS A 43 -9.402 -3.498 2.248 1.00 0.00 C ATOM 592 CG HIS A 43 -9.901 -2.092 2.452 1.00 0.00 C ATOM 593 ND1 HIS A 43 -10.771 -1.556 3.342 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -9.432 -1.063 1.680 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -10.827 -0.209 3.088 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -10.009 0.059 2.080 1.00 0.00 N flip ATOM 0 H HIS A 43 -9.115 -4.209 4.712 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.227 -4.502 2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.356 -3.540 2.553 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.432 -3.723 1.182 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -11.287 -2.059 4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.712 -1.152 0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.434 0.510 3.619 1.00 0.00 H new ATOM 605 N GLY A 44 -8.297 -6.201 2.960 1.00 0.00 N ATOM 606 CA GLY A 44 -7.728 -7.456 2.555 1.00 0.00 C ATOM 607 C GLY A 44 -6.235 -7.410 2.644 1.00 0.00 C ATOM 608 O GLY A 44 -5.660 -6.858 3.589 1.00 0.00 O ATOM 0 H GLY A 44 -7.681 -5.582 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.111 -8.256 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.030 -7.686 1.533 1.00 0.00 H new ATOM 612 N LEU A 45 -5.596 -8.007 1.608 1.00 0.00 N ATOM 613 CA LEU A 45 -4.179 -8.185 1.406 1.00 0.00 C ATOM 614 C LEU A 45 -3.737 -6.866 0.874 1.00 0.00 C ATOM 615 O LEU A 45 -4.506 -6.233 0.158 1.00 0.00 O ATOM 616 CB LEU A 45 -3.923 -9.283 0.334 1.00 0.00 C ATOM 617 CG LEU A 45 -2.457 -9.617 -0.042 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.660 -10.284 1.095 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.436 -10.512 -1.299 1.00 0.00 C ATOM 0 H LEU A 45 -6.129 -8.405 0.835 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.657 -8.489 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.395 -10.202 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.440 -8.984 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.962 -8.666 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.644 -10.487 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.629 -9.618 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.142 -11.220 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.404 -10.746 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.977 -11.436 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.911 -9.987 -2.127 1.00 0.00 H new ATOM 631 N ALA A 46 -2.531 -6.389 1.219 1.00 0.00 N ATOM 632 CA ALA A 46 -2.167 -5.046 0.900 1.00 0.00 C ATOM 633 C ALA A 46 -0.701 -5.137 0.710 1.00 0.00 C ATOM 634 O ALA A 46 -0.141 -6.222 0.854 1.00 0.00 O ATOM 635 CB ALA A 46 -2.491 -4.087 2.058 1.00 0.00 C ATOM 0 H ALA A 46 -1.816 -6.924 1.712 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.703 -4.659 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.202 -3.073 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.561 -4.115 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.941 -4.392 2.948 1.00 0.00 H new ATOM 641 N CYS A 47 -0.034 -4.009 0.393 1.00 0.00 N ATOM 642 CA CYS A 47 1.409 -4.030 0.294 1.00 0.00 C ATOM 643 C CYS A 47 1.733 -3.098 1.419 1.00 0.00 C ATOM 644 O CYS A 47 0.808 -2.448 1.902 1.00 0.00 O ATOM 645 CB CYS A 47 1.871 -3.588 -1.121 1.00 0.00 C ATOM 646 SG CYS A 47 3.650 -3.319 -1.358 1.00 0.00 S ATOM 0 H CYS A 47 -0.470 -3.105 0.209 1.00 0.00 H new ATOM 0 HA CYS A 47 1.913 -4.992 0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.544 -4.343 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.352 -2.664 -1.374 1.00 0.00 H new ATOM 651 N TRP A 48 2.983 -3.012 1.918 1.00 0.00 N ATOM 652 CA TRP A 48 3.298 -2.116 3.002 1.00 0.00 C ATOM 653 C TRP A 48 4.495 -1.381 2.494 1.00 0.00 C ATOM 654 O TRP A 48 5.247 -1.930 1.690 1.00 0.00 O ATOM 655 CB TRP A 48 3.530 -2.871 4.353 1.00 0.00 C ATOM 656 CG TRP A 48 4.256 -2.116 5.458 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.572 -1.760 5.474 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.678 -1.561 6.653 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.847 -0.974 6.555 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.696 -0.825 7.295 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.397 -1.625 7.185 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.439 -0.117 8.465 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.136 -0.924 8.372 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.141 -0.172 8.997 1.00 0.00 C ATOM 0 H TRP A 48 3.774 -3.558 1.576 1.00 0.00 H new ATOM 0 HA TRP A 48 2.485 -1.436 3.257 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.558 -3.180 4.738 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.092 -3.780 4.139 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.298 -2.059 4.732 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.754 -0.565 6.778 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.622 -2.199 6.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.215 0.458 8.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.149 -0.964 8.809 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.913 0.373 9.901 1.00 0.00 H new ATOM 675 N CYS A 49 4.680 -0.117 2.945 1.00 0.00 N ATOM 676 CA CYS A 49 5.773 0.722 2.538 1.00 0.00 C ATOM 677 C CYS A 49 6.182 1.494 3.748 1.00 0.00 C ATOM 678 O CYS A 49 5.348 1.803 4.602 1.00 0.00 O ATOM 679 CB CYS A 49 5.401 1.752 1.459 1.00 0.00 C ATOM 680 SG CYS A 49 5.233 1.018 -0.186 1.00 0.00 S ATOM 0 H CYS A 49 4.051 0.331 3.611 1.00 0.00 H new ATOM 0 HA CYS A 49 6.549 0.080 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.463 2.235 1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.164 2.530 1.428 1.00 0.00 H new ATOM 685 N ASN A 50 7.488 1.835 3.824 1.00 0.00 N ATOM 686 CA ASN A 50 8.031 2.711 4.830 1.00 0.00 C ATOM 687 C ASN A 50 8.551 3.876 4.052 1.00 0.00 C ATOM 688 O ASN A 50 9.168 3.689 3.002 1.00 0.00 O ATOM 689 CB ASN A 50 9.252 2.157 5.619 1.00 0.00 C ATOM 690 CG ASN A 50 8.805 1.345 6.839 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.180 0.289 6.709 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.150 1.844 8.063 1.00 0.00 N ATOM 0 H ASN A 50 8.188 1.492 3.166 1.00 0.00 H new ATOM 0 HA ASN A 50 7.250 2.902 5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.857 1.530 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.885 2.984 5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.891 1.340 8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.667 2.721 8.129 1.00 0.00 H new ATOM 699 N ALA A 51 8.321 5.092 4.599 1.00 0.00 N ATOM 700 CA ALA A 51 8.716 6.381 4.089 1.00 0.00 C ATOM 701 C ALA A 51 8.074 6.640 2.764 1.00 0.00 C ATOM 702 O ALA A 51 8.741 6.712 1.736 1.00 0.00 O ATOM 703 CB ALA A 51 10.231 6.646 4.031 1.00 0.00 C ATOM 0 H ALA A 51 7.812 5.180 5.479 1.00 0.00 H new ATOM 0 HA ALA A 51 8.351 7.093 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.411 7.644 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.651 6.575 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.705 5.907 3.386 1.00 0.00 H new ATOM 709 N LEU A 52 6.737 6.805 2.776 1.00 0.00 N ATOM 710 CA LEU A 52 6.013 7.245 1.610 1.00 0.00 C ATOM 711 C LEU A 52 5.832 8.714 1.828 1.00 0.00 C ATOM 712 O LEU A 52 5.558 9.076 2.971 1.00 0.00 O ATOM 713 CB LEU A 52 4.594 6.640 1.466 1.00 0.00 C ATOM 714 CG LEU A 52 4.573 5.171 0.989 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.142 4.610 1.032 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.158 4.994 -0.423 1.00 0.00 C ATOM 0 H LEU A 52 6.151 6.634 3.594 1.00 0.00 H new ATOM 0 HA LEU A 52 6.566 6.949 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.085 6.704 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.023 7.246 0.762 1.00 0.00 H new ATOM 0 HG LEU A 52 5.209 4.613 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.147 3.574 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.764 4.655 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.499 5.202 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.117 3.942 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.578 5.583 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.194 5.332 -0.433 1.00 0.00 H new ATOM 728 N PRO A 53 5.958 9.600 0.843 1.00 0.00 N ATOM 729 CA PRO A 53 5.486 10.962 0.964 1.00 0.00 C ATOM 730 C PRO A 53 3.974 11.002 0.968 1.00 0.00 C ATOM 731 O PRO A 53 3.323 10.037 0.570 1.00 0.00 O ATOM 732 CB PRO A 53 6.054 11.693 -0.265 1.00 0.00 C ATOM 733 CG PRO A 53 6.515 10.610 -1.259 1.00 0.00 C ATOM 734 CD PRO A 53 6.343 9.272 -0.527 1.00 0.00 C ATOM 0 HA PRO A 53 5.808 11.428 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.297 12.334 -0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.887 12.336 0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.919 10.637 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.553 10.765 -1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.580 8.660 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.269 8.698 -0.544 1.00 0.00 H new ATOM 742 N ASP A 54 3.423 12.135 1.437 1.00 0.00 N ATOM 743 CA ASP A 54 2.053 12.326 1.851 1.00 0.00 C ATOM 744 C ASP A 54 1.018 12.011 0.804 1.00 0.00 C ATOM 745 O ASP A 54 -0.051 11.498 1.125 1.00 0.00 O ATOM 746 CB ASP A 54 1.792 13.790 2.284 1.00 0.00 C ATOM 747 CG ASP A 54 2.697 14.190 3.455 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.916 14.411 3.218 1.00 0.00 O ATOM 749 OD2 ASP A 54 2.180 14.286 4.600 1.00 0.00 O ATOM 0 H ASP A 54 3.973 12.988 1.537 1.00 0.00 H new ATOM 0 HA ASP A 54 1.944 11.619 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.967 14.458 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.747 13.906 2.572 1.00 0.00 H new ATOM 754 N ASN A 55 1.275 12.327 -0.480 1.00 0.00 N ATOM 755 CA ASN A 55 0.269 12.199 -1.516 1.00 0.00 C ATOM 756 C ASN A 55 0.214 10.784 -2.029 1.00 0.00 C ATOM 757 O ASN A 55 -0.656 10.441 -2.829 1.00 0.00 O ATOM 758 CB ASN A 55 0.455 13.181 -2.712 1.00 0.00 C ATOM 759 CG ASN A 55 1.818 13.007 -3.398 1.00 0.00 C ATOM 760 OD1 ASN A 55 2.855 13.156 -2.741 1.00 0.00 O ATOM 761 ND2 ASN A 55 1.813 12.685 -4.722 1.00 0.00 N ATOM 0 H ASN A 55 2.176 12.672 -0.810 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.673 12.467 -1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.340 13.019 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.357 14.207 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.694 12.555 -5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.928 12.574 -5.217 1.00 0.00 H new ATOM 768 N VAL A 56 1.140 9.916 -1.571 1.00 0.00 N ATOM 769 CA VAL A 56 1.148 8.536 -1.967 1.00 0.00 C ATOM 770 C VAL A 56 0.296 7.862 -0.931 1.00 0.00 C ATOM 771 O VAL A 56 0.722 7.641 0.202 1.00 0.00 O ATOM 772 CB VAL A 56 2.543 7.949 -2.035 1.00 0.00 C ATOM 773 CG1 VAL A 56 2.485 6.589 -2.761 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.458 8.968 -2.755 1.00 0.00 C ATOM 0 H VAL A 56 1.886 10.171 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 56 0.766 8.399 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 56 2.952 7.766 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.486 6.161 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.829 5.912 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.098 6.731 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.470 8.568 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.078 9.151 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.471 9.904 -2.196 1.00 0.00 H new ATOM 784 N GLY A 57 -0.979 7.607 -1.288 1.00 0.00 N ATOM 785 CA GLY A 57 -2.006 7.330 -0.316 1.00 0.00 C ATOM 786 C GLY A 57 -2.013 5.901 0.102 1.00 0.00 C ATOM 787 O GLY A 57 -1.378 5.039 -0.507 1.00 0.00 O ATOM 0 H GLY A 57 -1.304 7.592 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.856 7.962 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.979 7.590 -0.734 1.00 0.00 H new ATOM 791 N ILE A 58 -2.736 5.621 1.201 1.00 0.00 N ATOM 792 CA ILE A 58 -2.608 4.398 1.924 1.00 0.00 C ATOM 793 C ILE A 58 -3.982 4.160 2.436 1.00 0.00 C ATOM 794 O ILE A 58 -4.874 4.945 2.118 1.00 0.00 O ATOM 795 CB ILE A 58 -1.599 4.466 3.065 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.889 5.593 4.075 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.177 4.610 2.475 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.897 5.557 5.235 1.00 0.00 C ATOM 0 H ILE A 58 -3.425 6.261 1.595 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.227 3.597 1.291 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.682 3.537 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.832 6.559 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.905 5.491 4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.550 4.659 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.043 3.750 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.120 5.522 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.124 6.363 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.973 4.599 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.116 5.684 4.852 1.00 0.00 H new ATOM 810 N ILE A 59 -4.169 3.055 3.203 1.00 0.00 N ATOM 811 CA ILE A 59 -5.453 2.511 3.562 1.00 0.00 C ATOM 812 C ILE A 59 -6.157 3.430 4.515 1.00 0.00 C ATOM 813 O ILE A 59 -5.866 3.466 5.712 1.00 0.00 O ATOM 814 CB ILE A 59 -5.419 1.120 4.203 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.188 0.275 3.819 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.740 0.391 3.877 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.974 0.040 2.330 1.00 0.00 C ATOM 0 H ILE A 59 -3.390 2.520 3.588 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.978 2.413 2.612 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.322 1.258 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.299 0.762 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.270 -0.694 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.729 -0.601 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.579 0.962 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.847 0.297 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.080 -0.566 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.838 -0.481 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.851 0.998 1.824 1.00 0.00 H new ATOM 829 N VAL A 60 -7.148 4.166 3.986 1.00 0.00 N ATOM 830 CA VAL A 60 -8.118 4.906 4.745 1.00 0.00 C ATOM 831 C VAL A 60 -9.236 3.892 4.878 1.00 0.00 C ATOM 832 O VAL A 60 -9.186 2.829 4.253 1.00 0.00 O ATOM 833 CB VAL A 60 -8.480 6.183 3.981 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.647 6.973 4.599 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.204 7.051 3.900 1.00 0.00 C ATOM 0 H VAL A 60 -7.284 4.252 2.979 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.806 5.271 5.724 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.835 5.901 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.842 7.863 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.539 6.347 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.388 7.269 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.424 7.972 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.864 7.293 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.423 6.501 3.375 1.00 0.00 H new