USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 379 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 46 TYR OH : rot 180:sc= -0.0575 USER MOD Set 1.2: A 50 MET CE :methyl -171:sc= -0.0229 (180deg=-0.0234) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.296 K(o=1,f=-4.6!) USER MOD Set 2.2: A 48 GLN : amide:sc= 0.71 K(o=1,f=-2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1 K(o=-1,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.2) USER MOD Single : A 13 SER OG : rot 70:sc= 0.748 USER MOD Single : A 14 GLN : amide:sc= -0.0287 X(o=-0.029,f=-0.029) USER MOD Single : A 15 THR OG1 : rot 142:sc= 0.153 USER MOD Single : A 18 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.54) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.094) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.000768 X(o=-0.00077,f=-0.0095) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.3) USER MOD Single : A 34 GLN : amide:sc= 0.903 K(o=0.9,f=-0.28) USER MOD Single : A 35 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.24) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 42 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.6) USER MOD Single : A 44 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.075) USER MOD Single : A 47 GLN : amide:sc= 0.662 K(o=0.66,f=-0.57) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 6.002 -1.006 -7.000 1.00 25.00 N ATOM 54 CA LYS A 4 5.700 0.274 -7.665 1.00 25.00 C ATOM 55 C LYS A 4 4.997 0.171 -9.017 1.00 25.00 C ATOM 56 O LYS A 4 4.198 1.019 -9.360 1.00 25.00 O ATOM 57 CB LYS A 4 6.983 1.112 -7.812 1.00 25.00 C ATOM 58 CG LYS A 4 8.001 0.625 -8.851 1.00 25.00 C ATOM 59 CD LYS A 4 9.264 1.497 -8.795 1.00 25.00 C ATOM 60 CE LYS A 4 10.233 1.201 -9.948 1.00 25.00 C ATOM 61 NZ LYS A 4 9.759 1.792 -11.261 1.00 25.00 N ATOM 0 HA LYS A 4 4.981 0.761 -7.006 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.697 2.133 -8.066 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.478 1.152 -6.842 1.00 25.00 H new ATOM 0 HG2 LYS A 4 8.259 -0.417 -8.659 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.564 0.667 -9.849 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.978 2.548 -8.826 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.773 1.333 -7.845 1.00 25.00 H new ATOM 0 HE2 LYS A 4 11.217 1.602 -9.705 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.346 0.122 -10.057 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.444 1.567 -12.010 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 8.832 1.391 -11.508 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.675 2.824 -11.167 1.00 25.00 H new ATOM 75 N GLN A 5 5.270 -0.888 -9.758 1.00 25.00 N ATOM 76 CA GLN A 5 4.649 -1.093 -11.067 1.00 25.00 C ATOM 77 C GLN A 5 3.118 -1.209 -10.991 1.00 25.00 C ATOM 78 O GLN A 5 2.426 -0.826 -11.923 1.00 25.00 O ATOM 79 CB GLN A 5 5.221 -2.344 -11.736 1.00 25.00 C ATOM 80 CG GLN A 5 6.734 -2.282 -11.950 1.00 25.00 C ATOM 81 CD GLN A 5 7.226 -3.362 -12.892 1.00 25.00 C ATOM 82 OE1 GLN A 5 7.092 -3.248 -14.089 1.00 25.00 O ATOM 83 NE2 GLN A 5 7.804 -4.403 -12.350 1.00 25.00 N ATOM 0 H GLN A 5 5.919 -1.625 -9.480 1.00 25.00 H new ATOM 0 HA GLN A 5 4.881 -0.209 -11.661 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.984 -3.214 -11.124 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.731 -2.488 -12.699 1.00 25.00 H new ATOM 0 HG2 GLN A 5 7.002 -1.304 -12.350 1.00 25.00 H new ATOM 0 HG3 GLN A 5 7.239 -2.383 -10.989 1.00 25.00 H new ATOM 0 HE21 GLN A 5 7.899 -4.464 -11.336 1.00 25.00 H new ATOM 0 HE22 GLN A 5 8.160 -5.154 -12.941 1.00 25.00 H new ATOM 92 N GLN A 6 2.593 -1.688 -9.870 1.00 25.00 N ATOM 93 CA GLN A 6 1.141 -1.795 -9.684 1.00 25.00 C ATOM 94 C GLN A 6 0.524 -0.404 -9.653 1.00 25.00 C ATOM 95 O GLN A 6 -0.523 -0.151 -10.239 1.00 25.00 O ATOM 96 CB GLN A 6 0.828 -2.484 -8.349 1.00 25.00 C ATOM 97 CG GLN A 6 1.269 -3.950 -8.284 1.00 25.00 C ATOM 98 CD GLN A 6 1.084 -4.582 -6.905 1.00 25.00 C ATOM 99 OE1 GLN A 6 1.465 -5.719 -6.690 1.00 25.00 O ATOM 100 NE2 GLN A 6 0.534 -3.845 -5.972 1.00 25.00 N ATOM 0 H GLN A 6 3.145 -2.009 -9.074 1.00 25.00 H new ATOM 0 HA GLN A 6 0.730 -2.376 -10.509 1.00 25.00 H new ATOM 0 HB2 GLN A 6 1.316 -1.933 -7.545 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.245 -2.430 -8.167 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.702 -4.524 -9.017 1.00 25.00 H new ATOM 0 HG3 GLN A 6 2.319 -4.018 -8.568 1.00 25.00 H new ATOM 0 HE21 GLN A 6 0.226 -2.897 -6.187 1.00 25.00 H new ATOM 0 HE22 GLN A 6 0.414 -4.220 -5.031 1.00 25.00 H new ATOM 109 N ILE A 7 1.192 0.492 -8.948 1.00 25.00 N ATOM 110 CA ILE A 7 0.716 1.859 -8.777 1.00 25.00 C ATOM 111 C ILE A 7 0.819 2.572 -10.117 1.00 25.00 C ATOM 112 O ILE A 7 -0.092 3.288 -10.518 1.00 25.00 O ATOM 113 CB ILE A 7 1.563 2.602 -7.701 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.502 1.841 -6.361 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.060 4.054 -7.502 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.687 2.104 -5.453 1.00 25.00 C ATOM 0 H ILE A 7 2.076 0.297 -8.479 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.320 1.850 -8.437 1.00 25.00 H new ATOM 0 HB ILE A 7 2.595 2.640 -8.050 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.587 2.118 -5.838 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.442 0.772 -6.564 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.669 4.549 -6.746 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.137 4.598 -8.443 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.020 4.037 -7.177 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.572 1.534 -4.531 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.605 1.800 -5.956 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.737 3.167 -5.219 1.00 25.00 H new ATOM 128 N MET A 8 1.905 2.327 -10.838 1.00 25.00 N ATOM 129 CA MET A 8 2.088 2.927 -12.158 1.00 25.00 C ATOM 130 C MET A 8 0.986 2.468 -13.110 1.00 25.00 C ATOM 131 O MET A 8 0.432 3.268 -13.833 1.00 25.00 O ATOM 132 CB MET A 8 3.463 2.566 -12.737 1.00 25.00 C ATOM 133 CG MET A 8 4.628 3.123 -11.926 1.00 25.00 C ATOM 134 SD MET A 8 6.251 2.674 -12.589 1.00 25.00 S ATOM 135 CE MET A 8 6.519 4.051 -13.756 1.00 25.00 C ATOM 0 H MET A 8 2.669 1.722 -10.536 1.00 25.00 H new ATOM 0 HA MET A 8 2.032 4.010 -12.046 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.553 1.481 -12.790 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.529 2.941 -13.758 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.548 4.209 -11.889 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.551 2.762 -10.900 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.482 3.926 -14.252 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.724 4.056 -14.502 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.511 4.996 -13.212 1.00 25.00 H new ATOM 145 N ALA A 9 0.631 1.188 -13.080 1.00 25.00 N ATOM 146 CA ALA A 9 -0.429 0.683 -13.955 1.00 25.00 C ATOM 147 C ALA A 9 -1.767 1.381 -13.662 1.00 25.00 C ATOM 148 O ALA A 9 -2.518 1.717 -14.583 1.00 25.00 O ATOM 149 CB ALA A 9 -0.566 -0.836 -13.789 1.00 25.00 C ATOM 0 H ALA A 9 1.052 0.488 -12.470 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.157 0.903 -14.987 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.357 -1.204 -14.443 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.376 -1.317 -14.052 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -0.815 -1.068 -12.753 1.00 25.00 H new ATOM 155 N ALA A 10 -2.050 1.615 -12.388 1.00 25.00 N ATOM 156 CA ALA A 10 -3.285 2.287 -11.997 1.00 25.00 C ATOM 157 C ALA A 10 -3.286 3.737 -12.502 1.00 25.00 C ATOM 158 O ALA A 10 -4.267 4.193 -13.085 1.00 25.00 O ATOM 159 CB ALA A 10 -3.448 2.244 -10.466 1.00 25.00 C ATOM 0 H ALA A 10 -1.446 1.352 -11.610 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.129 1.767 -12.450 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.372 2.748 -10.184 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.484 1.207 -10.133 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.603 2.747 -9.996 1.00 25.00 H new ATOM 165 N LEU A 11 -2.179 4.440 -12.298 1.00 25.00 N ATOM 166 CA LEU A 11 -2.052 5.838 -12.731 1.00 25.00 C ATOM 167 C LEU A 11 -2.149 5.953 -14.246 1.00 25.00 C ATOM 168 O LEU A 11 -2.795 6.859 -14.770 1.00 25.00 O ATOM 169 CB LEU A 11 -0.694 6.406 -12.293 1.00 25.00 C ATOM 170 CG LEU A 11 -0.484 6.650 -10.788 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.994 6.950 -10.533 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.344 7.805 -10.277 1.00 25.00 C ATOM 0 H LEU A 11 -1.350 4.069 -11.834 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.865 6.399 -12.271 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.084 5.724 -12.636 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.540 7.352 -12.813 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.786 5.752 -10.249 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.152 7.124 -9.469 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.598 6.102 -10.855 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.287 7.838 -11.093 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.168 7.946 -9.211 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.082 8.718 -10.812 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.397 7.576 -10.443 1.00 25.00 H new ATOM 184 N ASN A 12 -1.519 5.020 -14.942 1.00 25.00 N ATOM 185 CA ASN A 12 -1.498 5.018 -16.401 1.00 25.00 C ATOM 186 C ASN A 12 -2.905 4.905 -16.962 1.00 25.00 C ATOM 187 O ASN A 12 -3.207 5.473 -18.001 1.00 25.00 O ATOM 188 CB ASN A 12 -0.675 3.836 -16.927 1.00 25.00 C ATOM 189 CG ASN A 12 0.805 3.998 -16.685 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.254 4.981 -16.127 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.568 3.035 -17.121 1.00 25.00 N ATOM 0 H ASN A 12 -1.009 4.245 -14.517 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.048 5.958 -16.721 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.018 2.919 -16.448 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.853 3.723 -17.996 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.579 3.090 -16.999 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.154 2.226 -17.584 1.00 25.00 H new ATOM 198 N SER A 13 -3.762 4.171 -16.271 1.00 25.00 N ATOM 199 CA SER A 13 -5.137 3.983 -16.721 1.00 25.00 C ATOM 200 C SER A 13 -5.950 5.273 -16.620 1.00 25.00 C ATOM 201 O SER A 13 -6.871 5.492 -17.398 1.00 25.00 O ATOM 202 CB SER A 13 -5.814 2.894 -15.885 1.00 25.00 C ATOM 203 OG SER A 13 -5.076 1.680 -15.937 1.00 25.00 O ATOM 0 H SER A 13 -3.533 3.696 -15.398 1.00 25.00 H new ATOM 0 HA SER A 13 -5.101 3.685 -17.769 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.902 3.226 -14.851 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.826 2.725 -16.253 1.00 25.00 H new ATOM 0 HG SER A 13 -4.237 1.786 -15.442 1.00 25.00 H new ATOM 209 N GLN A 14 -5.611 6.128 -15.662 1.00 25.00 N ATOM 210 CA GLN A 14 -6.353 7.376 -15.464 1.00 25.00 C ATOM 211 C GLN A 14 -5.994 8.406 -16.530 1.00 25.00 C ATOM 212 O GLN A 14 -6.836 9.174 -16.981 1.00 25.00 O ATOM 213 CB GLN A 14 -6.032 7.986 -14.090 1.00 25.00 C ATOM 214 CG GLN A 14 -6.303 7.071 -12.900 1.00 25.00 C ATOM 215 CD GLN A 14 -7.732 6.588 -12.842 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.662 7.371 -12.818 1.00 25.00 O ATOM 217 NE2 GLN A 14 -7.909 5.290 -12.805 1.00 25.00 N ATOM 0 H GLN A 14 -4.836 5.986 -15.014 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.413 7.130 -15.531 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.981 8.276 -14.074 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.616 8.898 -13.969 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -5.636 6.210 -12.951 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.067 7.603 -11.978 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -7.104 4.665 -12.827 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -8.852 4.905 -12.754 1.00 25.00 H new ATOM 226 N THR A 15 -4.725 8.449 -16.894 1.00 25.00 N ATOM 227 CA THR A 15 -4.214 9.486 -17.789 1.00 25.00 C ATOM 228 C THR A 15 -4.091 9.053 -19.243 1.00 25.00 C ATOM 229 O THR A 15 -3.717 9.855 -20.087 1.00 25.00 O ATOM 230 CB THR A 15 -2.816 9.932 -17.330 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.933 8.807 -17.344 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.858 10.479 -15.909 1.00 25.00 C ATOM 0 H THR A 15 -4.022 7.777 -16.585 1.00 25.00 H new ATOM 0 HA THR A 15 -4.947 10.291 -17.738 1.00 25.00 H new ATOM 0 HB THR A 15 -2.469 10.711 -18.008 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.048 9.090 -17.655 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.857 10.787 -15.608 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.529 11.337 -15.869 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.218 9.705 -15.232 1.00 25.00 H new ATOM 240 N ALA A 16 -4.381 7.790 -19.528 1.00 25.00 N ATOM 241 CA ALA A 16 -4.148 7.197 -20.851 1.00 25.00 C ATOM 242 C ALA A 16 -4.497 8.089 -22.052 1.00 25.00 C ATOM 243 O ALA A 16 -3.615 8.508 -22.800 1.00 25.00 O ATOM 244 CB ALA A 16 -4.915 5.867 -20.949 1.00 25.00 C ATOM 0 H ALA A 16 -4.785 7.142 -18.852 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.070 7.051 -20.919 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.746 5.421 -21.929 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.562 5.186 -20.175 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.981 6.051 -20.812 1.00 25.00 H new ATOM 250 N VAL A 17 -5.778 8.353 -22.257 1.00 25.00 N ATOM 251 CA VAL A 17 -6.208 9.098 -23.439 1.00 25.00 C ATOM 252 C VAL A 17 -5.811 10.577 -23.356 1.00 25.00 C ATOM 253 O VAL A 17 -5.542 11.208 -24.370 1.00 25.00 O ATOM 254 CB VAL A 17 -7.746 8.925 -23.680 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.586 9.679 -22.633 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.125 9.366 -25.098 1.00 25.00 C ATOM 0 H VAL A 17 -6.532 8.069 -21.632 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.687 8.680 -24.300 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.972 7.864 -23.571 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.646 9.530 -22.841 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.354 9.299 -21.638 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.354 10.743 -22.678 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.197 9.238 -25.245 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.863 10.415 -25.235 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.584 8.759 -25.824 1.00 25.00 H new ATOM 266 N GLN A 18 -5.726 11.122 -22.152 1.00 25.00 N ATOM 267 CA GLN A 18 -5.380 12.530 -21.987 1.00 25.00 C ATOM 268 C GLN A 18 -3.922 12.756 -22.405 1.00 25.00 C ATOM 269 O GLN A 18 -3.601 13.690 -23.142 1.00 25.00 O ATOM 270 CB GLN A 18 -5.617 12.954 -20.533 1.00 25.00 C ATOM 271 CG GLN A 18 -5.773 14.463 -20.335 1.00 25.00 C ATOM 272 CD GLN A 18 -4.462 15.211 -20.414 1.00 25.00 C ATOM 273 OE1 GLN A 18 -3.506 14.881 -19.740 1.00 25.00 O ATOM 274 NE2 GLN A 18 -4.417 16.230 -21.232 1.00 25.00 N ATOM 0 H GLN A 18 -5.890 10.618 -21.280 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.015 13.144 -22.626 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.513 12.456 -20.163 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.784 12.604 -19.924 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -6.453 14.854 -21.091 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.233 14.650 -19.365 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -5.239 16.479 -21.783 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -3.560 16.776 -21.320 1.00 25.00 H new ATOM 283 N PHE A 19 -3.051 11.849 -21.990 1.00 25.00 N ATOM 284 CA PHE A 19 -1.647 11.918 -22.369 1.00 25.00 C ATOM 285 C PHE A 19 -1.501 11.587 -23.845 1.00 25.00 C ATOM 286 O PHE A 19 -0.616 12.108 -24.504 1.00 25.00 O ATOM 287 CB PHE A 19 -0.805 10.948 -21.533 1.00 25.00 C ATOM 288 CG PHE A 19 -0.536 11.409 -20.107 1.00 25.00 C ATOM 289 CD1 PHE A 19 -1.087 12.606 -19.578 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.312 10.641 -19.287 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.801 13.008 -18.253 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.605 11.044 -17.961 1.00 25.00 C ATOM 293 CZ PHE A 19 0.043 12.225 -17.446 1.00 25.00 C ATOM 0 H PHE A 19 -3.290 11.058 -21.392 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.288 12.930 -22.183 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.312 9.984 -21.500 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.149 10.790 -22.036 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.731 13.216 -20.194 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.746 9.731 -19.675 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.231 13.917 -17.860 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.260 10.444 -17.346 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.259 12.530 -16.433 1.00 25.00 H new ATOM 303 N GLN A 20 -2.388 10.761 -24.382 1.00 25.00 N ATOM 304 CA GLN A 20 -2.352 10.442 -25.809 1.00 25.00 C ATOM 305 C GLN A 20 -2.659 11.675 -26.656 1.00 25.00 C ATOM 306 O GLN A 20 -2.043 11.880 -27.693 1.00 25.00 O ATOM 307 CB GLN A 20 -3.333 9.317 -26.144 1.00 25.00 C ATOM 308 CG GLN A 20 -3.102 8.708 -27.525 1.00 25.00 C ATOM 309 CD GLN A 20 -4.099 7.623 -27.863 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.698 7.016 -26.989 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.280 7.375 -29.131 1.00 25.00 N ATOM 0 H GLN A 20 -3.135 10.302 -23.861 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.343 10.104 -26.044 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.249 8.534 -25.390 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.351 9.703 -26.090 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.159 9.494 -28.278 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.094 8.296 -27.571 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.761 7.903 -29.833 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -4.940 6.653 -29.420 1.00 25.00 H new ATOM 320 N GLN A 21 -3.580 12.516 -26.205 1.00 25.00 N ATOM 321 CA GLN A 21 -3.899 13.746 -26.931 1.00 25.00 C ATOM 322 C GLN A 21 -2.682 14.672 -26.952 1.00 25.00 C ATOM 323 O GLN A 21 -2.355 15.252 -27.985 1.00 25.00 O ATOM 324 CB GLN A 21 -5.088 14.462 -26.285 1.00 25.00 C ATOM 325 CG GLN A 21 -6.414 13.729 -26.474 1.00 25.00 C ATOM 326 CD GLN A 21 -7.542 14.368 -25.695 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.476 14.513 -24.487 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.581 14.753 -26.386 1.00 25.00 N ATOM 0 H GLN A 21 -4.117 12.375 -25.349 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.167 13.483 -27.954 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.896 14.580 -25.219 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.172 15.464 -26.707 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.670 13.715 -27.533 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.301 12.692 -26.159 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.601 14.615 -27.396 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.373 15.191 -25.915 1.00 25.00 H new ATOM 337 N TYR A 22 -1.983 14.762 -25.828 1.00 25.00 N ATOM 338 CA TYR A 22 -0.755 15.557 -25.766 1.00 25.00 C ATOM 339 C TYR A 22 0.320 14.947 -26.655 1.00 25.00 C ATOM 340 O TYR A 22 1.000 15.647 -27.396 1.00 25.00 O ATOM 341 CB TYR A 22 -0.235 15.626 -24.328 1.00 25.00 C ATOM 342 CG TYR A 22 1.138 16.253 -24.236 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.294 17.655 -24.218 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.295 15.449 -24.193 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.591 18.242 -24.152 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.586 16.032 -24.120 1.00 25.00 C ATOM 347 CZ TYR A 22 3.721 17.422 -24.101 1.00 25.00 C ATOM 348 OH TYR A 22 4.973 17.974 -24.043 1.00 25.00 O ATOM 0 H TYR A 22 -2.238 14.302 -24.954 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.987 16.563 -26.117 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.934 16.200 -23.720 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.200 14.620 -23.910 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.421 18.290 -24.255 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.197 14.374 -24.216 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.700 19.316 -24.141 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.463 15.402 -24.079 1.00 25.00 H new ATOM 0 HH TYR A 22 5.644 17.260 -24.012 1.00 25.00 H new ATOM 358 N ALA A 23 0.469 13.634 -26.600 1.00 25.00 N ATOM 359 CA ALA A 23 1.487 12.951 -27.379 1.00 25.00 C ATOM 360 C ALA A 23 1.262 13.145 -28.876 1.00 25.00 C ATOM 361 O ALA A 23 2.207 13.321 -29.632 1.00 25.00 O ATOM 362 CB ALA A 23 1.504 11.482 -27.029 1.00 25.00 C ATOM 0 H ALA A 23 -0.104 13.019 -26.022 1.00 25.00 H new ATOM 0 HA ALA A 23 2.456 13.385 -27.133 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.270 10.977 -27.617 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.724 11.363 -25.968 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.530 11.044 -27.249 1.00 25.00 H new ATOM 368 N ALA A 24 0.006 13.134 -29.297 1.00 25.00 N ATOM 369 CA ALA A 24 -0.339 13.327 -30.701 1.00 25.00 C ATOM 370 C ALA A 24 -0.079 14.773 -31.140 1.00 25.00 C ATOM 371 O ALA A 24 0.122 15.034 -32.312 1.00 25.00 O ATOM 372 CB ALA A 24 -1.804 12.956 -30.926 1.00 25.00 C ATOM 0 H ALA A 24 -0.797 12.993 -28.684 1.00 25.00 H new ATOM 0 HA ALA A 24 0.293 12.677 -31.306 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.059 13.101 -31.976 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -1.961 11.912 -30.656 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.439 13.590 -30.307 1.00 25.00 H new ATOM 378 N GLN A 25 -0.066 15.699 -30.193 1.00 25.00 N ATOM 379 CA GLN A 25 0.211 17.103 -30.496 1.00 25.00 C ATOM 380 C GLN A 25 1.717 17.310 -30.718 1.00 25.00 C ATOM 381 O GLN A 25 2.139 18.297 -31.310 1.00 25.00 O ATOM 382 CB GLN A 25 -0.284 17.980 -29.339 1.00 25.00 C ATOM 383 CG GLN A 25 -0.412 19.457 -29.673 1.00 25.00 C ATOM 384 CD GLN A 25 -0.963 20.252 -28.511 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.313 20.410 -27.491 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.167 20.740 -28.652 1.00 25.00 N ATOM 0 H GLN A 25 -0.244 15.508 -29.207 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.312 17.386 -31.409 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.255 17.610 -29.010 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.401 17.869 -28.498 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.565 19.852 -29.952 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.064 19.578 -30.538 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.681 20.588 -29.520 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.593 21.273 -27.894 1.00 25.00 H new ATOM 395 N GLN A 26 2.514 16.363 -30.241 1.00 25.00 N ATOM 396 CA GLN A 26 3.973 16.434 -30.366 1.00 25.00 C ATOM 397 C GLN A 26 4.477 15.567 -31.513 1.00 25.00 C ATOM 398 O GLN A 26 5.274 16.004 -32.335 1.00 25.00 O ATOM 399 CB GLN A 26 4.619 15.958 -29.063 1.00 25.00 C ATOM 400 CG GLN A 26 4.311 16.847 -27.859 1.00 25.00 C ATOM 401 CD GLN A 26 4.798 18.266 -28.041 1.00 25.00 C ATOM 402 OE1 GLN A 26 5.970 18.511 -28.269 1.00 25.00 O ATOM 403 NE2 GLN A 26 3.895 19.210 -27.944 1.00 25.00 N ATOM 0 H GLN A 26 2.176 15.529 -29.760 1.00 25.00 H new ATOM 0 HA GLN A 26 4.243 17.470 -30.571 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.280 14.944 -28.850 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.699 15.911 -29.201 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.235 16.856 -27.685 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.774 16.420 -26.969 1.00 25.00 H new ATOM 0 HE21 GLN A 26 2.923 18.968 -27.752 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.164 20.187 -28.060 1.00 25.00 H new ATOM 412 N TYR A 27 4.000 14.332 -31.563 1.00 25.00 N ATOM 413 CA TYR A 27 4.384 13.377 -32.604 1.00 25.00 C ATOM 414 C TYR A 27 3.156 12.883 -33.376 1.00 25.00 C ATOM 415 O TYR A 27 2.752 11.722 -33.237 1.00 25.00 O ATOM 416 CB TYR A 27 5.107 12.177 -31.970 1.00 25.00 C ATOM 417 CG TYR A 27 6.330 12.542 -31.148 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.252 13.513 -31.600 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.585 11.905 -29.911 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.394 13.844 -30.833 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.734 12.233 -29.151 1.00 25.00 C ATOM 422 CZ TYR A 27 8.619 13.201 -29.614 1.00 25.00 C ATOM 423 OH TYR A 27 9.721 13.514 -28.865 1.00 25.00 O ATOM 0 H TYR A 27 3.335 13.959 -30.885 1.00 25.00 H new ATOM 0 HA TYR A 27 5.052 13.884 -33.301 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.404 11.640 -31.333 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.408 11.491 -32.761 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.083 14.009 -32.544 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.896 11.160 -29.542 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.089 14.591 -31.189 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.923 11.732 -28.213 1.00 25.00 H new ATOM 0 HH TYR A 27 9.724 12.975 -28.047 1.00 25.00 H new ATOM 433 N PRO A 28 2.526 13.753 -34.185 1.00 25.00 N ATOM 434 CA PRO A 28 1.316 13.255 -34.847 1.00 25.00 C ATOM 435 C PRO A 28 1.593 12.144 -35.848 1.00 25.00 C ATOM 436 O PRO A 28 2.607 12.141 -36.527 1.00 25.00 O ATOM 437 CB PRO A 28 0.762 14.503 -35.535 1.00 25.00 C ATOM 438 CG PRO A 28 1.960 15.357 -35.771 1.00 25.00 C ATOM 439 CD PRO A 28 2.795 15.159 -34.541 1.00 25.00 C ATOM 0 HA PRO A 28 0.623 12.798 -34.141 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.262 14.252 -36.470 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.029 15.011 -34.908 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.496 15.053 -36.670 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.685 16.403 -35.902 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.853 15.331 -34.739 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.505 15.841 -33.742 1.00 25.00 H new ATOM 447 N GLY A 29 0.694 11.167 -35.890 1.00 25.00 N ATOM 448 CA GLY A 29 0.847 10.028 -36.785 1.00 25.00 C ATOM 449 C GLY A 29 1.785 8.936 -36.289 1.00 25.00 C ATOM 450 O GLY A 29 1.610 7.770 -36.633 1.00 25.00 O ATOM 0 H GLY A 29 -0.148 11.142 -35.315 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.135 9.589 -36.960 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.211 10.388 -37.747 1.00 25.00 H new ATOM 454 N ASN A 30 2.768 9.288 -35.475 1.00 25.00 N ATOM 455 CA ASN A 30 3.764 8.315 -35.032 1.00 25.00 C ATOM 456 C ASN A 30 3.333 7.666 -33.735 1.00 25.00 C ATOM 457 O ASN A 30 3.709 8.107 -32.655 1.00 25.00 O ATOM 458 CB ASN A 30 5.133 8.968 -34.843 1.00 25.00 C ATOM 459 CG ASN A 30 5.877 9.137 -36.146 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.438 9.842 -37.034 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.002 8.480 -36.270 1.00 25.00 N ATOM 0 H ASN A 30 2.900 10.231 -35.108 1.00 25.00 H new ATOM 0 HA ASN A 30 3.845 7.554 -35.808 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.005 9.943 -34.372 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.731 8.361 -34.163 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.541 8.550 -37.133 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.340 7.898 -35.504 1.00 25.00 H new ATOM 468 N TYR A 31 2.554 6.603 -33.849 1.00 25.00 N ATOM 469 CA TYR A 31 2.051 5.882 -32.682 1.00 25.00 C ATOM 470 C TYR A 31 3.172 5.437 -31.751 1.00 25.00 C ATOM 471 O TYR A 31 3.079 5.613 -30.549 1.00 25.00 O ATOM 472 CB TYR A 31 1.253 4.659 -33.136 1.00 25.00 C ATOM 473 CG TYR A 31 0.848 3.760 -31.986 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.278 4.060 -31.191 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.604 2.609 -31.673 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.645 3.221 -30.103 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.237 1.771 -30.589 1.00 25.00 C ATOM 478 CZ TYR A 31 0.118 2.085 -29.817 1.00 25.00 C ATOM 479 OH TYR A 31 -0.225 1.274 -28.764 1.00 25.00 O ATOM 0 H TYR A 31 2.252 6.215 -34.743 1.00 25.00 H new ATOM 0 HA TYR A 31 1.411 6.568 -32.127 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.359 4.990 -33.664 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.849 4.086 -33.846 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.868 4.937 -31.411 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.472 2.364 -32.266 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.509 3.460 -29.501 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.822 0.892 -30.362 1.00 25.00 H new ATOM 0 HH TYR A 31 0.409 0.529 -28.705 1.00 25.00 H new ATOM 489 N GLU A 32 4.242 4.880 -32.294 1.00 25.00 N ATOM 490 CA GLU A 32 5.342 4.410 -31.454 1.00 25.00 C ATOM 491 C GLU A 32 5.975 5.553 -30.650 1.00 25.00 C ATOM 492 O GLU A 32 6.151 5.439 -29.446 1.00 25.00 O ATOM 493 CB GLU A 32 6.393 3.683 -32.303 1.00 25.00 C ATOM 494 CG GLU A 32 6.944 4.492 -33.476 1.00 25.00 C ATOM 495 CD GLU A 32 7.773 3.652 -34.422 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.265 2.582 -34.012 1.00 25.00 O ATOM 497 OE2 GLU A 32 7.903 4.061 -35.594 1.00 25.00 O ATOM 0 H GLU A 32 4.376 4.742 -33.296 1.00 25.00 H new ATOM 0 HA GLU A 32 4.930 3.703 -30.734 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.223 3.394 -31.658 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.954 2.763 -32.689 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.116 4.940 -34.025 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.553 5.311 -33.094 1.00 25.00 H new ATOM 504 N GLN A 33 6.252 6.676 -31.295 1.00 25.00 N ATOM 505 CA GLN A 33 6.855 7.822 -30.613 1.00 25.00 C ATOM 506 C GLN A 33 5.903 8.395 -29.583 1.00 25.00 C ATOM 507 O GLN A 33 6.309 8.781 -28.487 1.00 25.00 O ATOM 508 CB GLN A 33 7.190 8.925 -31.602 1.00 25.00 C ATOM 509 CG GLN A 33 8.213 8.550 -32.646 1.00 25.00 C ATOM 510 CD GLN A 33 9.584 8.306 -32.062 1.00 25.00 C ATOM 511 OE1 GLN A 33 9.989 7.180 -31.865 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.307 9.363 -31.794 1.00 25.00 N ATOM 0 H GLN A 33 6.071 6.823 -32.288 1.00 25.00 H new ATOM 0 HA GLN A 33 7.764 7.466 -30.128 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.274 9.233 -32.106 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.556 9.790 -31.049 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.881 7.653 -33.168 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.276 9.346 -33.388 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.933 10.295 -31.973 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.244 9.255 -31.406 1.00 25.00 H new ATOM 521 N GLN A 34 4.626 8.416 -29.929 1.00 25.00 N ATOM 522 CA GLN A 34 3.604 8.884 -29.009 1.00 25.00 C ATOM 523 C GLN A 34 3.647 8.034 -27.745 1.00 25.00 C ATOM 524 O GLN A 34 3.496 8.544 -26.646 1.00 25.00 O ATOM 525 CB GLN A 34 2.215 8.771 -29.651 1.00 25.00 C ATOM 526 CG GLN A 34 1.854 9.903 -30.571 1.00 25.00 C ATOM 527 CD GLN A 34 0.573 9.626 -31.324 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.354 9.022 -30.805 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.523 10.043 -32.559 1.00 25.00 N ATOM 0 H GLN A 34 4.274 8.115 -30.838 1.00 25.00 H new ATOM 0 HA GLN A 34 3.794 9.929 -28.765 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.163 7.836 -30.209 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.468 8.712 -28.860 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.745 10.821 -29.993 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.665 10.068 -31.281 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.315 10.544 -32.960 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.309 9.868 -33.123 1.00 25.00 H new ATOM 538 N GLN A 35 3.880 6.740 -27.900 1.00 25.00 N ATOM 539 CA GLN A 35 3.864 5.829 -26.753 1.00 25.00 C ATOM 540 C GLN A 35 5.101 6.008 -25.894 1.00 25.00 C ATOM 541 O GLN A 35 5.026 5.927 -24.672 1.00 25.00 O ATOM 542 CB GLN A 35 3.768 4.378 -27.225 1.00 25.00 C ATOM 543 CG GLN A 35 2.401 4.007 -27.777 1.00 25.00 C ATOM 544 CD GLN A 35 1.323 4.023 -26.717 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.472 3.440 -25.654 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.242 4.705 -26.993 1.00 25.00 N ATOM 0 H GLN A 35 4.081 6.295 -28.796 1.00 25.00 H new ATOM 0 HA GLN A 35 2.988 6.069 -26.150 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.521 4.204 -27.994 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.006 3.717 -26.391 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.134 4.702 -28.573 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.451 3.014 -28.224 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.154 5.179 -27.892 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.513 4.763 -26.309 1.00 25.00 H new ATOM 555 N ILE A 36 6.233 6.279 -26.523 1.00 25.00 N ATOM 556 CA ILE A 36 7.470 6.537 -25.796 1.00 25.00 C ATOM 557 C ILE A 36 7.259 7.764 -24.923 1.00 25.00 C ATOM 558 O ILE A 36 7.558 7.743 -23.729 1.00 25.00 O ATOM 559 CB ILE A 36 8.644 6.795 -26.783 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.903 5.535 -27.629 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.931 7.207 -26.025 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.767 5.783 -28.862 1.00 25.00 C ATOM 0 H ILE A 36 6.323 6.327 -27.538 1.00 25.00 H new ATOM 0 HA ILE A 36 7.723 5.670 -25.187 1.00 25.00 H new ATOM 0 HB ILE A 36 8.364 7.618 -27.441 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.386 4.783 -27.005 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.946 5.119 -27.946 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.735 7.381 -26.740 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.744 8.120 -25.460 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.221 6.410 -25.340 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.904 4.848 -29.405 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.277 6.510 -29.510 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.739 6.169 -28.554 1.00 25.00 H new ATOM 574 N LEU A 37 6.699 8.809 -25.510 1.00 25.00 N ATOM 575 CA LEU A 37 6.465 10.056 -24.798 1.00 25.00 C ATOM 576 C LEU A 37 5.505 9.868 -23.631 1.00 25.00 C ATOM 577 O LEU A 37 5.785 10.302 -22.528 1.00 25.00 O ATOM 578 CB LEU A 37 5.918 11.098 -25.773 1.00 25.00 C ATOM 579 CG LEU A 37 5.651 12.505 -25.219 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.866 13.111 -24.502 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.251 13.391 -26.388 1.00 25.00 C ATOM 0 H LEU A 37 6.396 8.819 -26.484 1.00 25.00 H new ATOM 0 HA LEU A 37 7.413 10.398 -24.384 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.622 11.189 -26.600 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.985 10.716 -26.188 1.00 25.00 H new ATOM 0 HG LEU A 37 4.860 12.436 -24.472 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.613 14.105 -24.134 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.148 12.475 -23.663 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.701 13.184 -25.199 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.054 14.401 -26.028 1.00 25.00 H new ATOM 0 HD22 LEU A 37 6.060 13.418 -27.118 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.352 12.991 -26.857 1.00 25.00 H new ATOM 593 N ILE A 38 4.399 9.177 -23.860 1.00 25.00 N ATOM 594 CA ILE A 38 3.416 8.917 -22.802 1.00 25.00 C ATOM 595 C ILE A 38 4.073 8.199 -21.627 1.00 25.00 C ATOM 596 O ILE A 38 3.843 8.562 -20.477 1.00 25.00 O ATOM 597 CB ILE A 38 2.213 8.084 -23.348 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.398 8.951 -24.319 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.293 7.594 -22.209 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.545 8.164 -25.307 1.00 25.00 C ATOM 0 H ILE A 38 4.153 8.783 -24.768 1.00 25.00 H new ATOM 0 HA ILE A 38 3.033 9.876 -22.453 1.00 25.00 H new ATOM 0 HB ILE A 38 2.613 7.208 -23.859 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.748 9.608 -23.741 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.082 9.590 -24.878 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.468 7.019 -22.629 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.863 6.965 -21.526 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.897 8.452 -21.666 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.005 8.856 -25.953 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.187 7.527 -25.915 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.167 7.546 -24.761 1.00 25.00 H new ATOM 612 N ARG A 39 4.932 7.223 -21.892 1.00 25.00 N ATOM 613 CA ARG A 39 5.615 6.526 -20.798 1.00 25.00 C ATOM 614 C ARG A 39 6.569 7.453 -20.053 1.00 25.00 C ATOM 615 O ARG A 39 6.686 7.354 -18.840 1.00 25.00 O ATOM 616 CB ARG A 39 6.372 5.300 -21.302 1.00 25.00 C ATOM 617 CG ARG A 39 5.453 4.181 -21.776 1.00 25.00 C ATOM 618 CD ARG A 39 6.232 2.891 -22.019 1.00 25.00 C ATOM 619 NE ARG A 39 7.301 3.045 -23.023 1.00 25.00 N ATOM 620 CZ ARG A 39 7.150 2.917 -24.338 1.00 25.00 C ATOM 621 NH1 ARG A 39 5.995 2.658 -24.896 1.00 25.00 N ATOM 622 NH2 ARG A 39 8.195 3.048 -25.110 1.00 25.00 N ATOM 0 H ARG A 39 5.172 6.898 -22.829 1.00 25.00 H new ATOM 0 HA ARG A 39 4.842 6.195 -20.105 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.026 5.596 -22.122 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.012 4.923 -20.504 1.00 25.00 H new ATOM 0 HG2 ARG A 39 4.676 4.005 -21.032 1.00 25.00 H new ATOM 0 HG3 ARG A 39 4.951 4.484 -22.695 1.00 25.00 H new ATOM 0 HD2 ARG A 39 6.669 2.554 -21.079 1.00 25.00 H new ATOM 0 HD3 ARG A 39 5.543 2.113 -22.346 1.00 25.00 H new ATOM 0 HE ARG A 39 8.235 3.269 -22.680 1.00 25.00 H new ATOM 0 HH11 ARG A 39 5.163 2.546 -24.317 1.00 25.00 H new ATOM 0 HH12 ARG A 39 5.927 2.568 -25.910 1.00 25.00 H new ATOM 0 HH21 ARG A 39 9.109 3.245 -24.702 1.00 25.00 H new ATOM 0 HH22 ARG A 39 8.097 2.953 -26.121 1.00 25.00 H new ATOM 636 N GLN A 40 7.219 8.369 -20.756 1.00 25.00 N ATOM 637 CA GLN A 40 8.095 9.345 -20.099 1.00 25.00 C ATOM 638 C GLN A 40 7.277 10.264 -19.195 1.00 25.00 C ATOM 639 O GLN A 40 7.697 10.572 -18.081 1.00 25.00 O ATOM 640 CB GLN A 40 8.848 10.191 -21.130 1.00 25.00 C ATOM 641 CG GLN A 40 9.914 9.426 -21.893 1.00 25.00 C ATOM 642 CD GLN A 40 10.558 10.272 -22.966 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.102 10.310 -24.093 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.616 10.955 -22.618 1.00 25.00 N ATOM 0 H GLN A 40 7.162 8.462 -21.770 1.00 25.00 H new ATOM 0 HA GLN A 40 8.820 8.792 -19.501 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.131 10.603 -21.841 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.314 11.035 -20.622 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.678 9.078 -21.198 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.470 8.540 -22.347 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.969 10.897 -21.663 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.089 11.546 -23.302 1.00 25.00 H new ATOM 653 N LEU A 41 6.098 10.677 -19.653 1.00 25.00 N ATOM 654 CA LEU A 41 5.232 11.534 -18.837 1.00 25.00 C ATOM 655 C LEU A 41 4.840 10.778 -17.581 1.00 25.00 C ATOM 656 O LEU A 41 4.919 11.300 -16.485 1.00 25.00 O ATOM 657 CB LEU A 41 3.943 11.931 -19.582 1.00 25.00 C ATOM 658 CG LEU A 41 4.028 12.662 -20.927 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.619 12.921 -21.433 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.804 13.961 -20.862 1.00 25.00 C ATOM 0 H LEU A 41 5.721 10.438 -20.570 1.00 25.00 H new ATOM 0 HA LEU A 41 5.787 12.442 -18.603 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.369 11.019 -19.745 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.360 12.559 -18.908 1.00 25.00 H new ATOM 0 HG LEU A 41 4.578 12.018 -21.613 1.00 25.00 H new ATOM 0 HD11 LEU A 41 2.666 13.441 -22.390 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.098 11.972 -21.561 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.081 13.536 -20.712 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.823 14.423 -21.849 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.324 14.637 -20.154 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.824 13.759 -20.536 1.00 25.00 H new ATOM 672 N GLN A 42 4.431 9.531 -17.747 1.00 25.00 N ATOM 673 CA GLN A 42 3.976 8.713 -16.629 1.00 25.00 C ATOM 674 C GLN A 42 5.094 8.441 -15.629 1.00 25.00 C ATOM 675 O GLN A 42 4.852 8.407 -14.429 1.00 25.00 O ATOM 676 CB GLN A 42 3.397 7.407 -17.169 1.00 25.00 C ATOM 677 CG GLN A 42 2.077 7.626 -17.918 1.00 25.00 C ATOM 678 CD GLN A 42 1.646 6.447 -18.767 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.443 5.597 -19.146 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.375 6.403 -19.092 1.00 25.00 N ATOM 0 H GLN A 42 4.404 9.058 -18.650 1.00 25.00 H new ATOM 0 HA GLN A 42 3.203 9.261 -16.090 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.120 6.940 -17.838 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.234 6.715 -16.343 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.292 7.845 -17.194 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.175 8.504 -18.557 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.262 7.127 -18.759 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.024 5.645 -19.677 1.00 25.00 H new ATOM 689 N GLU A 43 6.319 8.289 -16.106 1.00 25.00 N ATOM 690 CA GLU A 43 7.463 8.096 -15.215 1.00 25.00 C ATOM 691 C GLU A 43 7.709 9.373 -14.404 1.00 25.00 C ATOM 692 O GLU A 43 7.808 9.329 -13.179 1.00 25.00 O ATOM 693 CB GLU A 43 8.709 7.712 -16.032 1.00 25.00 C ATOM 694 CG GLU A 43 9.833 7.065 -15.218 1.00 25.00 C ATOM 695 CD GLU A 43 10.500 8.024 -14.238 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.894 9.131 -14.647 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.651 7.644 -13.054 1.00 25.00 O ATOM 0 H GLU A 43 6.551 8.295 -17.099 1.00 25.00 H new ATOM 0 HA GLU A 43 7.249 7.283 -14.521 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.410 7.025 -16.824 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.099 8.607 -16.517 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.430 6.216 -14.666 1.00 25.00 H new ATOM 0 HG3 GLU A 43 10.587 6.673 -15.901 1.00 25.00 H new ATOM 704 N GLN A 44 7.741 10.515 -15.077 1.00 25.00 N ATOM 705 CA GLN A 44 7.964 11.786 -14.389 1.00 25.00 C ATOM 706 C GLN A 44 6.828 12.092 -13.405 1.00 25.00 C ATOM 707 O GLN A 44 7.062 12.562 -12.287 1.00 25.00 O ATOM 708 CB GLN A 44 8.100 12.921 -15.411 1.00 25.00 C ATOM 709 CG GLN A 44 8.485 14.268 -14.792 1.00 25.00 C ATOM 710 CD GLN A 44 9.838 14.235 -14.100 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.873 14.333 -14.734 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.827 14.112 -12.795 1.00 25.00 N ATOM 0 H GLN A 44 7.617 10.592 -16.087 1.00 25.00 H new ATOM 0 HA GLN A 44 8.890 11.705 -13.819 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.851 12.643 -16.150 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.155 13.033 -15.943 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.500 15.030 -15.572 1.00 25.00 H new ATOM 0 HG3 GLN A 44 7.721 14.563 -14.072 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.940 14.032 -12.298 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.705 14.096 -12.277 1.00 25.00 H new ATOM 721 N HIS A 45 5.599 11.801 -13.799 1.00 25.00 N ATOM 722 CA HIS A 45 4.455 12.027 -12.925 1.00 25.00 C ATOM 723 C HIS A 45 4.408 11.010 -11.787 1.00 25.00 C ATOM 724 O HIS A 45 3.770 11.263 -10.776 1.00 25.00 O ATOM 725 CB HIS A 45 3.139 12.004 -13.710 1.00 25.00 C ATOM 726 CG HIS A 45 2.950 13.196 -14.600 1.00 25.00 C ATOM 727 ND1 HIS A 45 2.844 14.490 -14.154 1.00 25.00 N ATOM 728 CD2 HIS A 45 2.831 13.284 -15.954 1.00 25.00 C ATOM 729 CE1 HIS A 45 2.679 15.282 -15.208 1.00 25.00 C ATOM 730 NE2 HIS A 45 2.663 14.599 -16.334 1.00 25.00 N ATOM 0 H HIS A 45 5.367 11.410 -14.712 1.00 25.00 H new ATOM 0 HA HIS A 45 4.579 13.019 -12.490 1.00 25.00 H new ATOM 0 HB2 HIS A 45 3.103 11.099 -14.316 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.307 11.950 -13.007 1.00 25.00 H new ATOM 0 HD1 HIS A 45 2.885 14.792 -13.180 1.00 25.00 H new ATOM 0 HD2 HIS A 45 2.864 12.444 -16.633 1.00 25.00 H new ATOM 0 HE1 HIS A 45 2.571 16.355 -15.149 1.00 25.00 H new ATOM 738 N TYR A 46 5.126 9.899 -11.891 1.00 25.00 N ATOM 739 CA TYR A 46 5.213 8.971 -10.763 1.00 25.00 C ATOM 740 C TYR A 46 6.006 9.631 -9.642 1.00 25.00 C ATOM 741 O TYR A 46 5.669 9.498 -8.466 1.00 25.00 O ATOM 742 CB TYR A 46 5.883 7.650 -11.154 1.00 25.00 C ATOM 743 CG TYR A 46 5.807 6.641 -10.034 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.646 5.872 -9.844 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.880 6.471 -9.134 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.550 4.953 -8.773 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.784 5.553 -8.054 1.00 25.00 C ATOM 748 CZ TYR A 46 5.613 4.808 -7.883 1.00 25.00 C ATOM 749 OH TYR A 46 5.506 3.937 -6.829 1.00 25.00 O ATOM 0 H TYR A 46 5.646 9.620 -12.723 1.00 25.00 H new ATOM 0 HA TYR A 46 4.199 8.740 -10.435 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.401 7.245 -12.044 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.926 7.832 -11.412 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.816 5.984 -10.525 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.785 7.045 -9.268 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.654 4.364 -8.645 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.610 5.431 -7.369 1.00 25.00 H new ATOM 0 HH TYR A 46 6.334 3.954 -6.305 1.00 25.00 H new ATOM 759 N GLN A 47 7.032 10.387 -10.009 1.00 25.00 N ATOM 760 CA GLN A 47 7.825 11.114 -9.021 1.00 25.00 C ATOM 761 C GLN A 47 6.931 12.154 -8.341 1.00 25.00 C ATOM 762 O GLN A 47 6.934 12.294 -7.117 1.00 25.00 O ATOM 763 CB GLN A 47 9.026 11.809 -9.683 1.00 25.00 C ATOM 764 CG GLN A 47 9.926 10.881 -10.526 1.00 25.00 C ATOM 765 CD GLN A 47 10.570 9.769 -9.719 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.765 9.886 -8.517 1.00 25.00 O ATOM 767 NE2 GLN A 47 10.907 8.692 -10.372 1.00 25.00 N ATOM 0 H GLN A 47 7.335 10.514 -10.975 1.00 25.00 H new ATOM 0 HA GLN A 47 8.210 10.409 -8.284 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.657 12.612 -10.321 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.633 12.273 -8.906 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.332 10.441 -11.327 1.00 25.00 H new ATOM 0 HG3 GLN A 47 10.707 11.476 -10.998 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.730 8.627 -11.374 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.348 7.914 -9.880 1.00 25.00 H new ATOM 776 N GLN A 48 6.115 12.833 -9.137 1.00 25.00 N ATOM 777 CA GLN A 48 5.162 13.813 -8.615 1.00 25.00 C ATOM 778 C GLN A 48 4.159 13.137 -7.678 1.00 25.00 C ATOM 779 O GLN A 48 3.824 13.672 -6.629 1.00 25.00 O ATOM 780 CB GLN A 48 4.410 14.483 -9.770 1.00 25.00 C ATOM 781 CG GLN A 48 3.496 15.628 -9.340 1.00 25.00 C ATOM 782 CD GLN A 48 2.568 16.064 -10.453 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.864 15.892 -11.626 1.00 25.00 O ATOM 784 NE2 GLN A 48 1.432 16.598 -10.094 1.00 25.00 N ATOM 0 H GLN A 48 6.092 12.725 -10.151 1.00 25.00 H new ATOM 0 HA GLN A 48 5.716 14.568 -8.057 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.135 14.863 -10.490 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.813 13.730 -10.286 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.906 15.316 -8.478 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.103 16.476 -9.021 1.00 25.00 H new ATOM 0 HE21 GLN A 48 1.219 16.726 -9.105 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.758 16.887 -10.803 1.00 25.00 H new ATOM 793 N TYR A 49 3.695 11.952 -8.046 1.00 25.00 N ATOM 794 CA TYR A 49 2.740 11.208 -7.232 1.00 25.00 C ATOM 795 C TYR A 49 3.351 10.833 -5.889 1.00 25.00 C ATOM 796 O TYR A 49 2.687 10.887 -4.862 1.00 25.00 O ATOM 797 CB TYR A 49 2.283 9.951 -7.972 1.00 25.00 C ATOM 798 CG TYR A 49 1.093 9.279 -7.324 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.153 9.940 -7.248 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.196 7.978 -6.784 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.275 9.313 -6.650 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.070 7.351 -6.188 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.152 8.025 -6.132 1.00 25.00 C ATOM 804 OH TYR A 49 -2.239 7.421 -5.559 1.00 25.00 O ATOM 0 H TYR A 49 3.966 11.481 -8.909 1.00 25.00 H new ATOM 0 HA TYR A 49 1.875 11.846 -7.049 1.00 25.00 H new ATOM 0 HB2 TYR A 49 2.029 10.214 -8.999 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.111 9.243 -8.019 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.252 10.937 -7.651 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.140 7.455 -6.825 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.221 9.831 -6.596 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.158 6.355 -5.779 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.990 6.526 -5.248 1.00 25.00 H new ATOM 814 N MET A 50 4.633 10.508 -5.879 1.00 25.00 N ATOM 815 CA MET A 50 5.319 10.186 -4.632 1.00 25.00 C ATOM 816 C MET A 50 5.398 11.418 -3.729 1.00 25.00 C ATOM 817 O MET A 50 5.180 11.332 -2.522 1.00 25.00 O ATOM 818 CB MET A 50 6.721 9.641 -4.923 1.00 25.00 C ATOM 819 CG MET A 50 7.150 8.536 -3.965 1.00 25.00 C ATOM 820 SD MET A 50 6.933 6.866 -4.674 1.00 25.00 S ATOM 821 CE MET A 50 5.129 6.708 -4.798 1.00 25.00 C ATOM 0 H MET A 50 5.219 10.459 -6.712 1.00 25.00 H new ATOM 0 HA MET A 50 4.749 9.417 -4.111 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.750 9.259 -5.943 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.440 10.459 -4.868 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.197 8.679 -3.697 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.571 8.614 -3.045 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.871 5.683 -5.063 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.675 6.961 -3.840 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.756 7.386 -5.566 1.00 25.00 H new