USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 468 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 45 SER OG : rot -92:sc= 0.566 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.328 USER MOD Set 2.1: A 2 SER OG : rot -68:sc= 0.293 USER MOD Set 2.2: A 7 ASN : amide:sc= -0.854 K(o=-2.4,f=-6.5!) USER MOD Set 2.3: A 36 GLN :FLIP amide:sc= -1.83 F(o=-6!,f=-2.4) USER MOD Set 3.1: A 18 SER OG : rot 41:sc= 0.00453! USER MOD Set 3.2: A 19 HIS :FLIP no HD1:sc= -0.185 F(o=-4.9!,f=-0.18) USER MOD Set 4.1: A 13 HIS : no HE2:sc= -1.88 K(o=-1.7,f=-2.2) USER MOD Set 4.2: A 27 LYS NZ :NH3+ 144:sc= 0.224 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0677) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 41:sc= -0.108! USER MOD Single : A 30 GLN : amide:sc= -0.0384 K(o=-0.038,f=-2.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -8.9! C(o=-8.9!,f=-8.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 57 ASN :FLIP amide:sc= -5.05! C(o=-6.1!,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.291 1.440 23.147 1.00 0.00 N ATOM 2 CA GLY A 1 -6.112 0.634 23.574 1.00 0.00 C ATOM 3 C GLY A 1 -5.545 -0.118 22.368 1.00 0.00 C ATOM 4 O GLY A 1 -4.347 -0.221 22.196 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.594 2.054 23.930 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.033 2.026 22.328 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.070 0.803 22.885 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.349 1.284 24.002 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.403 -0.072 24.352 1.00 0.00 H new ATOM 10 N SER A 2 -6.397 -0.644 21.531 1.00 0.00 N ATOM 11 CA SER A 2 -5.905 -1.389 20.336 1.00 0.00 C ATOM 12 C SER A 2 -6.517 -0.806 19.060 1.00 0.00 C ATOM 13 O SER A 2 -7.359 -1.421 18.436 1.00 0.00 O ATOM 14 CB SER A 2 -6.375 -2.828 20.546 1.00 0.00 C ATOM 15 OG SER A 2 -5.248 -3.692 20.598 1.00 0.00 O ATOM 0 H SER A 2 -7.412 -0.591 21.622 1.00 0.00 H new ATOM 0 HA SER A 2 -4.822 -1.325 20.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.947 -2.904 21.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.039 -3.127 19.735 1.00 0.00 H new ATOM 0 HG SER A 2 -4.827 -3.734 19.714 1.00 0.00 H new ATOM 21 N PRO A 3 -6.068 0.370 18.714 1.00 0.00 N ATOM 22 CA PRO A 3 -6.604 1.016 17.487 1.00 0.00 C ATOM 23 C PRO A 3 -6.330 0.141 16.261 1.00 0.00 C ATOM 24 O PRO A 3 -5.277 -0.454 16.134 1.00 0.00 O ATOM 25 CB PRO A 3 -5.836 2.331 17.395 1.00 0.00 C ATOM 26 CG PRO A 3 -4.566 2.082 18.138 1.00 0.00 C ATOM 27 CD PRO A 3 -4.880 1.077 19.215 1.00 0.00 C ATOM 0 HA PRO A 3 -7.683 1.165 17.524 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.641 2.604 16.358 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.400 3.151 17.839 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.795 1.702 17.468 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.184 3.006 18.572 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.047 0.392 19.376 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.080 1.565 20.169 1.00 0.00 H new ATOM 35 N LEU A 4 -7.268 0.057 15.358 1.00 0.00 N ATOM 36 CA LEU A 4 -7.059 -0.780 14.142 1.00 0.00 C ATOM 37 C LEU A 4 -5.935 -0.194 13.283 1.00 0.00 C ATOM 38 O LEU A 4 -5.185 -0.912 12.652 1.00 0.00 O ATOM 39 CB LEU A 4 -8.391 -0.728 13.392 1.00 0.00 C ATOM 40 CG LEU A 4 -8.287 -1.558 12.111 1.00 0.00 C ATOM 41 CD1 LEU A 4 -8.290 -3.046 12.466 1.00 0.00 C ATOM 42 CD2 LEU A 4 -9.479 -1.247 11.205 1.00 0.00 C ATOM 0 H LEU A 4 -8.170 0.531 15.409 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.770 -1.802 14.388 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.192 -1.113 14.024 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.644 0.304 13.150 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.361 -1.311 11.591 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.216 -3.638 11.554 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.441 -3.268 13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.216 -3.294 12.985 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.406 -1.838 10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.405 -1.494 11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.477 -0.187 10.952 1.00 0.00 H new ATOM 54 N GLN A 5 -5.815 1.104 13.253 1.00 0.00 N ATOM 55 CA GLN A 5 -4.739 1.735 12.434 1.00 0.00 C ATOM 56 C GLN A 5 -3.363 1.274 12.921 1.00 0.00 C ATOM 57 O GLN A 5 -2.459 1.054 12.139 1.00 0.00 O ATOM 58 CB GLN A 5 -4.908 3.239 12.648 1.00 0.00 C ATOM 59 CG GLN A 5 -6.233 3.696 12.035 1.00 0.00 C ATOM 60 CD GLN A 5 -6.406 5.200 12.258 1.00 0.00 C ATOM 61 OE1 GLN A 5 -5.753 5.780 13.101 1.00 0.00 O ATOM 62 NE2 GLN A 5 -7.267 5.859 11.532 1.00 0.00 N ATOM 0 H GLN A 5 -6.414 1.756 13.759 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.809 1.463 11.381 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.889 3.470 13.713 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.078 3.778 12.190 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.249 3.471 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.062 3.153 12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.816 5.372 10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.391 6.862 11.673 1.00 0.00 H new ATOM 71 N ASP A 6 -3.196 1.126 14.207 1.00 0.00 N ATOM 72 CA ASP A 6 -1.877 0.680 14.741 1.00 0.00 C ATOM 73 C ASP A 6 -2.077 -0.276 15.920 1.00 0.00 C ATOM 74 O ASP A 6 -1.896 0.089 17.066 1.00 0.00 O ATOM 75 CB ASP A 6 -1.182 1.962 15.201 1.00 0.00 C ATOM 76 CG ASP A 6 0.283 1.659 15.524 1.00 0.00 C ATOM 77 OD1 ASP A 6 0.747 0.599 15.140 1.00 0.00 O ATOM 78 OD2 ASP A 6 0.915 2.494 16.150 1.00 0.00 O ATOM 0 H ASP A 6 -3.915 1.294 14.911 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.291 0.143 13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.244 2.722 14.422 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.684 2.365 16.081 1.00 0.00 H new ATOM 83 N ASN A 7 -2.451 -1.497 15.650 1.00 0.00 N ATOM 84 CA ASN A 7 -2.663 -2.474 16.757 1.00 0.00 C ATOM 85 C ASN A 7 -1.340 -3.154 17.124 1.00 0.00 C ATOM 86 O ASN A 7 -0.781 -3.903 16.348 1.00 0.00 O ATOM 87 CB ASN A 7 -3.655 -3.495 16.197 1.00 0.00 C ATOM 88 CG ASN A 7 -4.035 -4.491 17.294 1.00 0.00 C ATOM 89 OD1 ASN A 7 -3.430 -4.513 18.348 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.020 -5.322 17.090 1.00 0.00 N ATOM 0 H ASN A 7 -2.619 -1.860 14.712 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.036 -1.998 17.664 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.546 -2.987 15.827 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.213 -4.021 15.351 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.282 -5.990 17.815 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.528 -5.304 16.206 1.00 0.00 H new ATOM 97 N LEU A 8 -0.837 -2.898 18.300 1.00 0.00 N ATOM 98 CA LEU A 8 0.448 -3.530 18.716 1.00 0.00 C ATOM 99 C LEU A 8 0.209 -4.514 19.864 1.00 0.00 C ATOM 100 O LEU A 8 -0.699 -4.352 20.654 1.00 0.00 O ATOM 101 CB LEU A 8 1.329 -2.370 19.181 1.00 0.00 C ATOM 102 CG LEU A 8 1.843 -1.598 17.962 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.836 -0.510 17.587 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.189 -0.955 18.297 1.00 0.00 C ATOM 0 H LEU A 8 -1.260 -2.279 18.991 1.00 0.00 H new ATOM 0 HA LEU A 8 0.910 -4.094 17.906 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.760 -1.706 19.832 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.168 -2.748 19.765 1.00 0.00 H new ATOM 0 HG LEU A 8 1.967 -2.283 17.123 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.201 0.040 16.720 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.123 -0.969 17.348 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.712 0.175 18.425 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.556 -0.405 17.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.066 -0.270 19.136 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.906 -1.731 18.565 1.00 0.00 H new ATOM 116 N VAL A 9 1.020 -5.533 19.963 1.00 0.00 N ATOM 117 CA VAL A 9 0.841 -6.528 21.062 1.00 0.00 C ATOM 118 C VAL A 9 2.200 -7.062 21.521 1.00 0.00 C ATOM 119 O VAL A 9 3.208 -6.861 20.875 1.00 0.00 O ATOM 120 CB VAL A 9 0.006 -7.655 20.450 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.454 -7.212 20.338 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.545 -7.994 19.059 1.00 0.00 C ATOM 0 H VAL A 9 1.799 -5.720 19.331 1.00 0.00 H new ATOM 0 HA VAL A 9 0.358 -6.090 21.936 1.00 0.00 H new ATOM 0 HB VAL A 9 0.068 -8.536 21.088 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.046 -8.017 19.902 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.839 -6.975 21.330 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.518 -6.329 19.703 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.050 -8.797 18.624 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.486 -7.112 18.421 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.584 -8.315 19.140 1.00 0.00 H new ATOM 132 N ILE A 10 2.231 -7.749 22.631 1.00 0.00 N ATOM 133 CA ILE A 10 3.522 -8.304 23.130 1.00 0.00 C ATOM 134 C ILE A 10 3.485 -9.833 23.073 1.00 0.00 C ATOM 135 O ILE A 10 2.481 -10.450 23.367 1.00 0.00 O ATOM 136 CB ILE A 10 3.631 -7.822 24.577 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.668 -6.293 24.602 1.00 0.00 C ATOM 138 CG2 ILE A 10 4.911 -8.374 25.204 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.794 -5.809 26.049 1.00 0.00 C ATOM 0 H ILE A 10 1.418 -7.950 23.214 1.00 0.00 H new ATOM 0 HA ILE A 10 4.374 -7.980 22.532 1.00 0.00 H new ATOM 0 HB ILE A 10 2.769 -8.174 25.144 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.509 -5.929 24.011 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.762 -5.889 24.150 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.988 -8.030 26.235 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.885 -9.464 25.186 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.774 -8.022 24.639 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.820 -4.719 26.067 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.939 -6.161 26.626 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.713 -6.202 26.485 1.00 0.00 H new ATOM 151 N ALA A 11 4.569 -10.451 22.689 1.00 0.00 N ATOM 152 CA ALA A 11 4.584 -11.939 22.608 1.00 0.00 C ATOM 153 C ALA A 11 4.805 -12.551 23.995 1.00 0.00 C ATOM 154 O ALA A 11 5.878 -12.467 24.555 1.00 0.00 O ATOM 155 CB ALA A 11 5.756 -12.272 21.685 1.00 0.00 C ATOM 0 H ALA A 11 5.442 -9.992 22.429 1.00 0.00 H new ATOM 0 HA ALA A 11 3.641 -12.338 22.235 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.835 -13.353 21.573 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.590 -11.817 20.708 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.679 -11.883 22.114 1.00 0.00 H new ATOM 161 N LEU A 12 3.804 -13.179 24.548 1.00 0.00 N ATOM 162 CA LEU A 12 3.976 -13.807 25.888 1.00 0.00 C ATOM 163 C LEU A 12 4.949 -14.981 25.771 1.00 0.00 C ATOM 164 O LEU A 12 5.573 -15.390 26.731 1.00 0.00 O ATOM 165 CB LEU A 12 2.583 -14.296 26.283 1.00 0.00 C ATOM 166 CG LEU A 12 1.598 -13.127 26.232 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.233 -13.587 26.749 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.117 -11.985 27.110 1.00 0.00 C ATOM 0 H LEU A 12 2.879 -13.284 24.132 1.00 0.00 H new ATOM 0 HA LEU A 12 4.380 -13.118 26.630 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.259 -15.088 25.608 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.606 -14.722 27.286 1.00 0.00 H new ATOM 0 HG LEU A 12 1.499 -12.780 25.204 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.469 -12.754 26.713 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.137 -14.401 26.125 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.332 -13.934 27.778 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.416 -11.151 27.074 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.216 -12.333 28.138 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.090 -11.657 26.743 1.00 0.00 H new ATOM 180 N HIS A 13 5.081 -15.518 24.590 1.00 0.00 N ATOM 181 CA HIS A 13 6.010 -16.662 24.375 1.00 0.00 C ATOM 182 C HIS A 13 6.402 -16.728 22.897 1.00 0.00 C ATOM 183 O HIS A 13 5.623 -16.399 22.028 1.00 0.00 O ATOM 184 CB HIS A 13 5.209 -17.901 24.774 1.00 0.00 C ATOM 185 CG HIS A 13 5.197 -18.030 26.273 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.033 -17.918 27.016 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.200 -18.262 27.182 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.359 -18.080 28.310 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.668 -18.293 28.467 1.00 0.00 N ATOM 0 H HIS A 13 4.580 -15.210 23.757 1.00 0.00 H new ATOM 0 HA HIS A 13 6.930 -16.574 24.953 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.189 -17.825 24.397 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.649 -18.792 24.325 1.00 0.00 H new ATOM 0 HD1 HIS A 13 3.098 -17.744 26.648 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.243 -18.399 26.937 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.649 -18.042 29.123 1.00 0.00 H new ATOM 197 N SER A 14 7.601 -17.145 22.601 1.00 0.00 N ATOM 198 CA SER A 14 8.025 -17.221 21.173 1.00 0.00 C ATOM 199 C SER A 14 7.131 -18.202 20.409 1.00 0.00 C ATOM 200 O SER A 14 6.678 -19.191 20.951 1.00 0.00 O ATOM 201 CB SER A 14 9.468 -17.726 21.212 1.00 0.00 C ATOM 202 OG SER A 14 9.483 -19.083 21.631 1.00 0.00 O ATOM 0 H SER A 14 8.303 -17.435 23.281 1.00 0.00 H new ATOM 0 HA SER A 14 7.946 -16.259 20.667 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.924 -17.633 20.226 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.060 -17.117 21.895 1.00 0.00 H new ATOM 0 HG SER A 14 10.407 -19.408 21.655 1.00 0.00 H new ATOM 208 N TYR A 15 6.870 -17.943 19.153 1.00 0.00 N ATOM 209 CA TYR A 15 6.004 -18.875 18.374 1.00 0.00 C ATOM 210 C TYR A 15 6.863 -19.867 17.587 1.00 0.00 C ATOM 211 O TYR A 15 8.016 -19.613 17.297 1.00 0.00 O ATOM 212 CB TYR A 15 5.205 -17.984 17.421 1.00 0.00 C ATOM 213 CG TYR A 15 4.315 -18.850 16.562 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.499 -19.821 17.156 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.307 -18.687 15.172 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.678 -20.628 16.360 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.485 -19.492 14.376 1.00 0.00 C ATOM 218 CZ TYR A 15 2.670 -20.463 14.969 1.00 0.00 C ATOM 219 OH TYR A 15 1.861 -21.259 14.184 1.00 0.00 O ATOM 0 H TYR A 15 7.216 -17.134 18.638 1.00 0.00 H new ATOM 0 HA TYR A 15 5.352 -19.463 19.021 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.604 -17.273 17.987 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.881 -17.402 16.795 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.503 -19.947 18.229 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.936 -17.939 14.713 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.051 -21.378 16.818 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.479 -19.364 13.304 1.00 0.00 H new ATOM 0 HH TYR A 15 0.989 -21.367 14.617 1.00 0.00 H new ATOM 229 N GLU A 16 6.309 -20.997 17.240 1.00 0.00 N ATOM 230 CA GLU A 16 7.091 -22.008 16.471 1.00 0.00 C ATOM 231 C GLU A 16 6.498 -22.178 15.070 1.00 0.00 C ATOM 232 O GLU A 16 5.860 -23.170 14.781 1.00 0.00 O ATOM 233 CB GLU A 16 6.957 -23.304 17.271 1.00 0.00 C ATOM 234 CG GLU A 16 8.020 -23.335 18.371 1.00 0.00 C ATOM 235 CD GLU A 16 7.823 -24.582 19.236 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.248 -25.537 18.741 1.00 0.00 O ATOM 237 OE2 GLU A 16 8.251 -24.561 20.378 1.00 0.00 O ATOM 0 H GLU A 16 5.349 -21.264 17.456 1.00 0.00 H new ATOM 0 HA GLU A 16 8.133 -21.715 16.342 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.962 -23.372 17.710 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.074 -24.165 16.612 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.016 -23.340 17.929 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.949 -22.438 18.986 1.00 0.00 H new ATOM 244 N PRO A 17 6.734 -21.194 14.244 1.00 0.00 N ATOM 245 CA PRO A 17 6.199 -21.266 12.858 1.00 0.00 C ATOM 246 C PRO A 17 6.346 -22.686 12.301 1.00 0.00 C ATOM 247 O PRO A 17 7.438 -23.147 12.032 1.00 0.00 O ATOM 248 CB PRO A 17 7.067 -20.286 12.077 1.00 0.00 C ATOM 249 CG PRO A 17 8.344 -20.212 12.845 1.00 0.00 C ATOM 250 CD PRO A 17 7.993 -20.437 14.291 1.00 0.00 C ATOM 0 HA PRO A 17 5.138 -21.022 12.800 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.238 -20.634 11.058 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.592 -19.308 12.004 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.050 -20.966 12.496 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.822 -19.242 12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.774 -20.995 14.808 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.870 -19.493 14.822 1.00 0.00 H new ATOM 258 N SER A 18 5.255 -23.380 12.128 1.00 0.00 N ATOM 259 CA SER A 18 5.332 -24.769 11.589 1.00 0.00 C ATOM 260 C SER A 18 5.314 -24.743 10.059 1.00 0.00 C ATOM 261 O SER A 18 5.220 -25.768 9.413 1.00 0.00 O ATOM 262 CB SER A 18 4.088 -25.473 12.130 1.00 0.00 C ATOM 263 OG SER A 18 2.935 -24.973 11.468 1.00 0.00 O ATOM 0 H SER A 18 4.314 -23.047 12.336 1.00 0.00 H new ATOM 0 HA SER A 18 6.249 -25.278 11.886 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.170 -26.549 11.977 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.003 -25.310 13.204 1.00 0.00 H new ATOM 0 HG SER A 18 3.130 -24.856 10.515 1.00 0.00 H new ATOM 269 N HIS A 19 5.404 -23.580 9.475 1.00 0.00 N ATOM 270 CA HIS A 19 5.393 -23.489 7.986 1.00 0.00 C ATOM 271 C HIS A 19 6.301 -22.346 7.522 1.00 0.00 C ATOM 272 O HIS A 19 6.772 -21.555 8.314 1.00 0.00 O ATOM 273 CB HIS A 19 3.938 -23.205 7.616 1.00 0.00 C ATOM 274 CG HIS A 19 3.092 -24.403 7.951 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.160 -24.622 8.936 1.00 0.00 N flip ATOM 276 CD2 HIS A 19 3.152 -25.580 7.220 1.00 0.00 C flip ATOM 277 CE1 HIS A 19 1.650 -25.911 8.820 1.00 0.00 C flip ATOM 278 NE2 HIS A 19 2.282 -26.445 7.771 1.00 0.00 N flip ATOM 0 H HIS A 19 5.485 -22.688 9.964 1.00 0.00 H new ATOM 0 HA HIS A 19 5.761 -24.399 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.578 -22.330 8.157 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.860 -22.977 6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.783 -25.768 6.364 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.903 -26.380 9.444 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.124 -27.393 7.430 1.00 0.00 H new ATOM 286 N ASP A 20 6.549 -22.254 6.244 1.00 0.00 N ATOM 287 CA ASP A 20 7.427 -21.164 5.731 1.00 0.00 C ATOM 288 C ASP A 20 6.602 -19.905 5.451 1.00 0.00 C ATOM 289 O ASP A 20 5.615 -19.943 4.742 1.00 0.00 O ATOM 290 CB ASP A 20 8.025 -21.713 4.437 1.00 0.00 C ATOM 291 CG ASP A 20 8.761 -23.021 4.730 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.119 -23.231 5.877 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.953 -23.791 3.803 1.00 0.00 O ATOM 0 H ASP A 20 6.182 -22.886 5.533 1.00 0.00 H new ATOM 0 HA ASP A 20 8.198 -20.883 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.237 -21.883 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.712 -20.986 4.004 1.00 0.00 H new ATOM 298 N GLY A 21 6.998 -18.789 5.999 1.00 0.00 N ATOM 299 CA GLY A 21 6.238 -17.529 5.761 1.00 0.00 C ATOM 300 C GLY A 21 5.676 -17.013 7.088 1.00 0.00 C ATOM 301 O GLY A 21 5.239 -15.884 7.190 1.00 0.00 O ATOM 0 H GLY A 21 7.816 -18.695 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.889 -16.778 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.427 -17.709 5.056 1.00 0.00 H new ATOM 305 N ASP A 22 5.682 -17.831 8.105 1.00 0.00 N ATOM 306 CA ASP A 22 5.147 -17.383 9.423 1.00 0.00 C ATOM 307 C ASP A 22 6.243 -16.680 10.229 1.00 0.00 C ATOM 308 O ASP A 22 7.387 -16.629 9.826 1.00 0.00 O ATOM 309 CB ASP A 22 4.700 -18.666 10.128 1.00 0.00 C ATOM 310 CG ASP A 22 3.924 -19.546 9.147 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.581 -19.056 8.085 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.687 -20.697 9.476 1.00 0.00 O ATOM 0 H ASP A 22 6.033 -18.788 8.081 1.00 0.00 H new ATOM 0 HA ASP A 22 4.328 -16.672 9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.568 -19.205 10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.075 -18.422 10.987 1.00 0.00 H new ATOM 317 N LEU A 23 5.899 -16.136 11.364 1.00 0.00 N ATOM 318 CA LEU A 23 6.918 -15.435 12.197 1.00 0.00 C ATOM 319 C LEU A 23 7.015 -16.096 13.575 1.00 0.00 C ATOM 320 O LEU A 23 6.034 -16.228 14.279 1.00 0.00 O ATOM 321 CB LEU A 23 6.402 -14.000 12.320 1.00 0.00 C ATOM 322 CG LEU A 23 7.524 -13.097 12.836 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.626 -12.997 11.779 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.964 -11.702 13.122 1.00 0.00 C ATOM 0 H LEU A 23 4.955 -16.146 11.751 1.00 0.00 H new ATOM 0 HA LEU A 23 7.915 -15.473 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.051 -13.644 11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.551 -13.965 13.000 1.00 0.00 H new ATOM 0 HG LEU A 23 7.937 -13.518 13.752 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.425 -12.354 12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.025 -13.990 11.574 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.214 -12.576 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.763 -11.058 13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.551 -11.281 12.205 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.179 -11.772 13.875 1.00 0.00 H new ATOM 336 N GLY A 24 8.189 -16.511 13.965 1.00 0.00 N ATOM 337 CA GLY A 24 8.346 -17.165 15.296 1.00 0.00 C ATOM 338 C GLY A 24 8.991 -16.183 16.275 1.00 0.00 C ATOM 339 O GLY A 24 10.034 -16.450 16.840 1.00 0.00 O ATOM 0 H GLY A 24 9.047 -16.426 13.420 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.374 -17.485 15.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.962 -18.059 15.203 1.00 0.00 H new ATOM 343 N PHE A 25 8.385 -15.046 16.475 1.00 0.00 N ATOM 344 CA PHE A 25 8.963 -14.036 17.409 1.00 0.00 C ATOM 345 C PHE A 25 9.384 -14.690 18.727 1.00 0.00 C ATOM 346 O PHE A 25 9.074 -15.833 18.992 1.00 0.00 O ATOM 347 CB PHE A 25 7.835 -13.025 17.648 1.00 0.00 C ATOM 348 CG PHE A 25 6.555 -13.746 18.017 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.279 -14.045 19.359 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.642 -14.114 17.020 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.092 -14.709 19.699 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.457 -14.778 17.362 1.00 0.00 C ATOM 353 CZ PHE A 25 4.183 -15.074 18.701 1.00 0.00 C ATOM 0 H PHE A 25 7.510 -14.770 16.030 1.00 0.00 H new ATOM 0 HA PHE A 25 9.856 -13.567 16.997 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.116 -12.337 18.445 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.678 -12.426 16.751 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.981 -13.764 20.130 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.852 -13.885 15.986 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.879 -14.939 20.733 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.755 -15.061 16.592 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.269 -15.585 18.965 1.00 0.00 H new ATOM 363 N GLU A 26 10.096 -13.967 19.551 1.00 0.00 N ATOM 364 CA GLU A 26 10.546 -14.536 20.853 1.00 0.00 C ATOM 365 C GLU A 26 9.615 -14.077 21.979 1.00 0.00 C ATOM 366 O GLU A 26 8.698 -13.305 21.769 1.00 0.00 O ATOM 367 CB GLU A 26 11.955 -13.981 21.061 1.00 0.00 C ATOM 368 CG GLU A 26 12.830 -14.347 19.860 1.00 0.00 C ATOM 369 CD GLU A 26 14.234 -13.774 20.059 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.408 -12.985 20.973 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.113 -14.135 19.294 1.00 0.00 O ATOM 0 H GLU A 26 10.385 -13.005 19.377 1.00 0.00 H new ATOM 0 HA GLU A 26 10.534 -15.626 20.855 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.917 -12.898 21.180 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.386 -14.387 21.976 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.880 -15.430 19.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.391 -13.953 18.943 1.00 0.00 H new ATOM 378 N LYS A 27 9.851 -14.536 23.178 1.00 0.00 N ATOM 379 CA LYS A 27 8.985 -14.123 24.317 1.00 0.00 C ATOM 380 C LYS A 27 9.251 -12.663 24.685 1.00 0.00 C ATOM 381 O LYS A 27 10.351 -12.292 25.045 1.00 0.00 O ATOM 382 CB LYS A 27 9.380 -15.047 25.470 1.00 0.00 C ATOM 383 CG LYS A 27 8.627 -14.632 26.736 1.00 0.00 C ATOM 384 CD LYS A 27 8.844 -15.684 27.826 1.00 0.00 C ATOM 385 CE LYS A 27 7.807 -15.490 28.934 1.00 0.00 C ATOM 386 NZ LYS A 27 8.051 -16.611 29.885 1.00 0.00 N ATOM 0 H LYS A 27 10.606 -15.179 23.417 1.00 0.00 H new ATOM 0 HA LYS A 27 7.925 -14.200 24.077 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.147 -16.081 25.218 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.455 -14.995 25.640 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.979 -13.659 27.079 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.563 -14.529 26.522 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.757 -16.685 27.403 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.850 -15.597 28.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.927 -14.523 29.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.793 -15.522 28.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.890 -16.282 30.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.401 -17.394 29.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.033 -16.941 29.789 1.00 0.00 H new ATOM 400 N GLY A 28 8.249 -11.832 24.602 1.00 0.00 N ATOM 401 CA GLY A 28 8.441 -10.399 24.953 1.00 0.00 C ATOM 402 C GLY A 28 8.616 -9.575 23.677 1.00 0.00 C ATOM 403 O GLY A 28 8.666 -8.361 23.717 1.00 0.00 O ATOM 0 H GLY A 28 7.306 -12.084 24.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.583 -10.035 25.518 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.316 -10.285 25.594 1.00 0.00 H new ATOM 407 N GLU A 29 8.710 -10.215 22.543 1.00 0.00 N ATOM 408 CA GLU A 29 8.881 -9.441 21.279 1.00 0.00 C ATOM 409 C GLU A 29 7.566 -8.763 20.894 1.00 0.00 C ATOM 410 O GLU A 29 6.531 -9.395 20.813 1.00 0.00 O ATOM 411 CB GLU A 29 9.284 -10.469 20.221 1.00 0.00 C ATOM 412 CG GLU A 29 9.827 -9.738 18.990 1.00 0.00 C ATOM 413 CD GLU A 29 10.214 -10.755 17.916 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.246 -11.933 18.227 1.00 0.00 O ATOM 415 OE2 GLU A 29 10.471 -10.337 16.799 1.00 0.00 O ATOM 0 H GLU A 29 8.676 -11.229 22.436 1.00 0.00 H new ATOM 0 HA GLU A 29 9.629 -8.655 21.380 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.041 -11.143 20.622 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.425 -11.081 19.946 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.074 -9.052 18.601 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.694 -9.137 19.265 1.00 0.00 H new ATOM 422 N GLN A 30 7.595 -7.480 20.659 1.00 0.00 N ATOM 423 CA GLN A 30 6.344 -6.766 20.281 1.00 0.00 C ATOM 424 C GLN A 30 6.034 -7.001 18.802 1.00 0.00 C ATOM 425 O GLN A 30 6.922 -7.060 17.974 1.00 0.00 O ATOM 426 CB GLN A 30 6.637 -5.287 20.538 1.00 0.00 C ATOM 427 CG GLN A 30 7.189 -5.112 21.955 1.00 0.00 C ATOM 428 CD GLN A 30 7.778 -3.708 22.101 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.017 -3.031 21.122 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.025 -3.239 23.295 1.00 0.00 N ATOM 0 H GLN A 30 8.430 -6.896 20.712 1.00 0.00 H new ATOM 0 HA GLN A 30 5.481 -7.114 20.849 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.357 -4.916 19.808 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.727 -4.699 20.416 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.396 -5.264 22.687 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.954 -5.862 22.154 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.824 -3.807 24.118 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.418 -2.304 23.404 1.00 0.00 H new ATOM 439 N LEU A 31 4.783 -7.141 18.463 1.00 0.00 N ATOM 440 CA LEU A 31 4.424 -7.377 17.034 1.00 0.00 C ATOM 441 C LEU A 31 3.147 -6.614 16.673 1.00 0.00 C ATOM 442 O LEU A 31 2.403 -6.181 17.532 1.00 0.00 O ATOM 443 CB LEU A 31 4.191 -8.884 16.928 1.00 0.00 C ATOM 444 CG LEU A 31 5.460 -9.632 17.345 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.161 -11.130 17.432 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.558 -9.391 16.307 1.00 0.00 C ATOM 0 H LEU A 31 3.995 -7.103 19.110 1.00 0.00 H new ATOM 0 HA LEU A 31 5.203 -7.033 16.353 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.357 -9.179 17.565 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.920 -9.149 15.906 1.00 0.00 H new ATOM 0 HG LEU A 31 5.794 -9.270 18.317 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.063 -11.665 17.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.378 -11.302 18.170 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.829 -11.492 16.459 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.462 -9.923 16.603 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.225 -9.754 15.335 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.770 -8.324 16.243 1.00 0.00 H new ATOM 458 N ARG A 32 2.884 -6.454 15.406 1.00 0.00 N ATOM 459 CA ARG A 32 1.653 -5.730 14.981 1.00 0.00 C ATOM 460 C ARG A 32 0.623 -6.733 14.451 1.00 0.00 C ATOM 461 O ARG A 32 0.943 -7.602 13.668 1.00 0.00 O ATOM 462 CB ARG A 32 2.113 -4.784 13.869 1.00 0.00 C ATOM 463 CG ARG A 32 0.910 -4.348 13.028 1.00 0.00 C ATOM 464 CD ARG A 32 1.299 -3.152 12.159 1.00 0.00 C ATOM 465 NE ARG A 32 0.005 -2.512 11.789 1.00 0.00 N ATOM 466 CZ ARG A 32 -0.071 -1.763 10.722 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.981 -1.111 10.307 1.00 0.00 N ATOM 468 NH2 ARG A 32 -1.198 -1.666 10.072 1.00 0.00 N ATOM 0 H ARG A 32 3.470 -6.794 14.644 1.00 0.00 H new ATOM 0 HA ARG A 32 1.180 -5.187 15.799 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.602 -3.911 14.301 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.849 -5.281 13.237 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.574 -5.173 12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.076 -4.082 13.678 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.941 -2.460 12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.851 -3.469 11.274 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.821 -2.659 12.369 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.862 -1.187 10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.922 -0.526 9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.020 -2.175 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.257 -1.081 9.239 1.00 0.00 H new ATOM 482 N ILE A 33 -0.608 -6.624 14.872 1.00 0.00 N ATOM 483 CA ILE A 33 -1.646 -7.580 14.387 1.00 0.00 C ATOM 484 C ILE A 33 -2.425 -6.974 13.216 1.00 0.00 C ATOM 485 O ILE A 33 -3.388 -6.256 13.403 1.00 0.00 O ATOM 486 CB ILE A 33 -2.569 -7.805 15.585 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.743 -8.264 16.788 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.602 -8.878 15.237 1.00 0.00 C ATOM 489 CD1 ILE A 33 -0.855 -9.440 16.379 1.00 0.00 C ATOM 0 H ILE A 33 -0.940 -5.917 15.528 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.209 -8.512 14.027 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.079 -6.874 15.830 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.129 -7.442 17.156 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.403 -8.559 17.604 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.261 -9.039 16.090 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.191 -8.551 14.380 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.091 -9.809 14.992 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.266 -9.767 17.236 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.479 -10.264 16.032 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.186 -9.129 15.577 1.00 0.00 H new ATOM 501 N LEU A 34 -2.011 -7.251 12.010 1.00 0.00 N ATOM 502 CA LEU A 34 -2.721 -6.683 10.827 1.00 0.00 C ATOM 503 C LEU A 34 -3.991 -7.484 10.516 1.00 0.00 C ATOM 504 O LEU A 34 -4.920 -6.975 9.920 1.00 0.00 O ATOM 505 CB LEU A 34 -1.721 -6.801 9.678 1.00 0.00 C ATOM 506 CG LEU A 34 -0.386 -6.182 10.098 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.662 -6.447 9.015 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.560 -4.674 10.284 1.00 0.00 C ATOM 0 H LEU A 34 -1.212 -7.846 11.792 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.038 -5.654 10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.580 -7.848 9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.106 -6.295 8.793 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.057 -6.628 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.613 -6.006 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.785 -7.522 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.335 -6.002 8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.390 -4.232 10.583 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.888 -4.227 9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.306 -4.486 11.056 1.00 0.00 H new ATOM 520 N GLU A 35 -4.046 -8.727 10.911 1.00 0.00 N ATOM 521 CA GLU A 35 -5.264 -9.540 10.625 1.00 0.00 C ATOM 522 C GLU A 35 -5.664 -10.351 11.859 1.00 0.00 C ATOM 523 O GLU A 35 -4.828 -10.873 12.570 1.00 0.00 O ATOM 524 CB GLU A 35 -4.864 -10.465 9.477 1.00 0.00 C ATOM 525 CG GLU A 35 -6.098 -10.802 8.639 1.00 0.00 C ATOM 526 CD GLU A 35 -5.756 -11.924 7.655 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.578 -12.145 7.424 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.677 -12.543 7.149 1.00 0.00 O ATOM 0 H GLU A 35 -3.305 -9.213 11.416 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.122 -8.919 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.109 -9.984 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.418 -11.378 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.918 -11.110 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.435 -9.918 8.097 1.00 0.00 H new ATOM 535 N GLN A 36 -6.939 -10.463 12.118 1.00 0.00 N ATOM 536 CA GLN A 36 -7.396 -11.240 13.305 1.00 0.00 C ATOM 537 C GLN A 36 -8.570 -12.145 12.923 1.00 0.00 C ATOM 538 O GLN A 36 -9.626 -12.093 13.523 1.00 0.00 O ATOM 539 CB GLN A 36 -7.837 -10.187 14.322 1.00 0.00 C ATOM 540 CG GLN A 36 -6.680 -9.227 14.599 1.00 0.00 C ATOM 541 CD GLN A 36 -7.187 -8.039 15.421 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.416 -7.516 16.335 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -8.298 -7.584 15.231 1.00 0.00 N flip ATOM 0 H GLN A 36 -7.684 -10.049 11.558 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.614 -11.886 13.703 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.697 -9.636 13.941 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.152 -10.670 15.247 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.886 -9.744 15.138 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.252 -8.877 13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.901 -7.992 14.517 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.627 -6.794 15.786 1.00 0.00 H new ATOM 552 N SER A 37 -8.395 -12.973 11.931 1.00 0.00 N ATOM 553 CA SER A 37 -9.502 -13.880 11.512 1.00 0.00 C ATOM 554 C SER A 37 -9.072 -15.342 11.661 1.00 0.00 C ATOM 555 O SER A 37 -7.939 -15.695 11.399 1.00 0.00 O ATOM 556 CB SER A 37 -9.756 -13.543 10.042 1.00 0.00 C ATOM 557 OG SER A 37 -10.904 -14.242 9.587 1.00 0.00 O ATOM 0 H SER A 37 -7.534 -13.061 11.392 1.00 0.00 H new ATOM 0 HA SER A 37 -10.397 -13.748 12.120 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.901 -12.469 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.889 -13.816 9.440 1.00 0.00 H new ATOM 0 HG SER A 37 -11.068 -14.025 8.646 1.00 0.00 H new ATOM 563 N GLY A 38 -9.967 -16.193 12.079 1.00 0.00 N ATOM 564 CA GLY A 38 -9.609 -17.630 12.244 1.00 0.00 C ATOM 565 C GLY A 38 -8.779 -17.803 13.517 1.00 0.00 C ATOM 566 O GLY A 38 -8.636 -16.891 14.306 1.00 0.00 O ATOM 0 H GLY A 38 -10.931 -15.956 12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.512 -18.237 12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.045 -17.977 11.379 1.00 0.00 H new ATOM 570 N GLU A 39 -8.230 -18.969 13.724 1.00 0.00 N ATOM 571 CA GLU A 39 -7.408 -19.198 14.947 1.00 0.00 C ATOM 572 C GLU A 39 -6.053 -18.498 14.810 1.00 0.00 C ATOM 573 O GLU A 39 -5.499 -18.004 15.772 1.00 0.00 O ATOM 574 CB GLU A 39 -7.225 -20.714 15.022 1.00 0.00 C ATOM 575 CG GLU A 39 -8.581 -21.381 15.256 1.00 0.00 C ATOM 576 CD GLU A 39 -8.390 -22.892 15.393 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.299 -23.359 15.111 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.338 -23.557 15.777 1.00 0.00 O ATOM 0 H GLU A 39 -8.315 -19.772 13.101 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.881 -18.801 15.845 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.781 -21.083 14.098 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.539 -20.969 15.829 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.045 -20.979 16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.254 -21.163 14.426 1.00 0.00 H new ATOM 585 N TRP A 40 -5.516 -18.453 13.621 1.00 0.00 N ATOM 586 CA TRP A 40 -4.196 -17.787 13.424 1.00 0.00 C ATOM 587 C TRP A 40 -4.395 -16.345 12.948 1.00 0.00 C ATOM 588 O TRP A 40 -5.303 -16.047 12.198 1.00 0.00 O ATOM 589 CB TRP A 40 -3.494 -18.613 12.347 1.00 0.00 C ATOM 590 CG TRP A 40 -3.298 -20.010 12.840 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.066 -21.070 12.497 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.286 -20.517 13.756 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.588 -22.196 13.144 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.492 -21.906 13.933 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.219 -19.913 14.444 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.668 -22.668 14.762 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.388 -20.676 15.280 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.612 -22.051 15.438 1.00 0.00 C ATOM 0 H TRP A 40 -5.933 -18.848 12.778 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.616 -17.740 14.346 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.088 -18.618 11.433 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.532 -18.165 12.099 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.913 -21.042 11.828 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.995 -23.126 13.050 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.037 -18.855 14.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.845 -23.727 14.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.428 -20.201 15.804 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.031 -22.633 16.082 1.00 0.00 H new ATOM 609 N TRP A 41 -3.548 -15.448 13.376 1.00 0.00 N ATOM 610 CA TRP A 41 -3.684 -14.026 12.949 1.00 0.00 C ATOM 611 C TRP A 41 -2.436 -13.582 12.185 1.00 0.00 C ATOM 612 O TRP A 41 -1.365 -14.130 12.356 1.00 0.00 O ATOM 613 CB TRP A 41 -3.823 -13.234 14.249 1.00 0.00 C ATOM 614 CG TRP A 41 -5.165 -13.496 14.855 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.205 -14.080 14.217 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.629 -13.195 16.204 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.277 -14.157 15.087 1.00 0.00 N ATOM 618 CE2 TRP A 41 -6.971 -13.624 16.324 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.020 -12.597 17.322 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.685 -13.467 17.512 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.737 -12.436 18.520 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.066 -12.869 18.614 1.00 0.00 C ATOM 0 H TRP A 41 -2.767 -15.639 14.004 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.535 -13.875 12.285 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.036 -13.520 14.947 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.703 -12.169 14.052 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.199 -14.429 13.195 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.183 -14.558 14.845 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.996 -12.260 17.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.709 -13.805 17.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.261 -11.976 19.373 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.612 -12.741 19.537 1.00 0.00 H new ATOM 633 N LYS A 42 -2.563 -12.586 11.355 1.00 0.00 N ATOM 634 CA LYS A 42 -1.382 -12.097 10.590 1.00 0.00 C ATOM 635 C LYS A 42 -0.764 -10.903 11.318 1.00 0.00 C ATOM 636 O LYS A 42 -1.462 -10.038 11.809 1.00 0.00 O ATOM 637 CB LYS A 42 -1.936 -11.671 9.230 1.00 0.00 C ATOM 638 CG LYS A 42 -0.777 -11.421 8.262 1.00 0.00 C ATOM 639 CD LYS A 42 -1.296 -10.687 7.025 1.00 0.00 C ATOM 640 CE LYS A 42 -0.135 -10.424 6.063 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.422 -9.086 5.476 1.00 0.00 N ATOM 0 H LYS A 42 -3.434 -12.088 11.173 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.605 -12.854 10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.593 -12.445 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.536 -10.767 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.002 -10.830 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.321 -12.367 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.064 -11.283 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.761 -9.745 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.821 -10.429 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.080 -11.191 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.330 -8.833 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.335 -9.114 4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.462 -8.376 6.234 1.00 0.00 H new ATOM 655 N ALA A 43 0.535 -10.848 11.403 1.00 0.00 N ATOM 656 CA ALA A 43 1.175 -9.706 12.113 1.00 0.00 C ATOM 657 C ALA A 43 2.579 -9.445 11.561 1.00 0.00 C ATOM 658 O ALA A 43 3.067 -10.162 10.710 1.00 0.00 O ATOM 659 CB ALA A 43 1.249 -10.146 13.575 1.00 0.00 C ATOM 0 H ALA A 43 1.178 -11.539 11.015 1.00 0.00 H new ATOM 0 HA ALA A 43 0.614 -8.780 11.988 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.710 -9.357 14.169 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.243 -10.340 13.948 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.846 -11.055 13.652 1.00 0.00 H new ATOM 665 N GLN A 44 3.231 -8.426 12.048 1.00 0.00 N ATOM 666 CA GLN A 44 4.606 -8.114 11.563 1.00 0.00 C ATOM 667 C GLN A 44 5.427 -7.494 12.695 1.00 0.00 C ATOM 668 O GLN A 44 4.888 -6.937 13.632 1.00 0.00 O ATOM 669 CB GLN A 44 4.411 -7.110 10.426 1.00 0.00 C ATOM 670 CG GLN A 44 3.844 -5.805 10.989 1.00 0.00 C ATOM 671 CD GLN A 44 3.575 -4.828 9.844 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.109 -5.220 8.792 1.00 0.00 O ATOM 673 NE2 GLN A 44 3.851 -3.562 10.003 1.00 0.00 N ATOM 0 H GLN A 44 2.870 -7.794 12.763 1.00 0.00 H new ATOM 0 HA GLN A 44 5.141 -9.003 11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.361 -6.921 9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.734 -7.520 9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.922 -6.003 11.536 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.547 -5.367 11.697 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.242 -3.232 10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.676 -2.903 9.245 1.00 0.00 H new ATOM 682 N SER A 45 6.725 -7.584 12.621 1.00 0.00 N ATOM 683 CA SER A 45 7.572 -6.998 13.699 1.00 0.00 C ATOM 684 C SER A 45 8.094 -5.623 13.275 1.00 0.00 C ATOM 685 O SER A 45 8.833 -5.495 12.320 1.00 0.00 O ATOM 686 CB SER A 45 8.730 -7.981 13.872 1.00 0.00 C ATOM 687 OG SER A 45 9.307 -7.811 15.158 1.00 0.00 O ATOM 0 H SER A 45 7.236 -8.037 11.863 1.00 0.00 H new ATOM 0 HA SER A 45 7.017 -6.854 14.626 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.373 -9.004 13.754 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.481 -7.814 13.100 1.00 0.00 H new ATOM 0 HG SER A 45 10.045 -7.168 15.103 1.00 0.00 H new ATOM 693 N LEU A 46 7.715 -4.592 13.981 1.00 0.00 N ATOM 694 CA LEU A 46 8.190 -3.227 13.619 1.00 0.00 C ATOM 695 C LEU A 46 9.657 -3.055 14.026 1.00 0.00 C ATOM 696 O LEU A 46 10.253 -2.018 13.809 1.00 0.00 O ATOM 697 CB LEU A 46 7.297 -2.272 14.411 1.00 0.00 C ATOM 698 CG LEU A 46 5.829 -2.596 14.127 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.934 -1.638 14.915 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.553 -2.439 12.630 1.00 0.00 C ATOM 0 H LEU A 46 7.098 -4.636 14.792 1.00 0.00 H new ATOM 0 HA LEU A 46 8.133 -3.040 12.547 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.502 -2.365 15.478 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.513 -1.240 14.134 1.00 0.00 H new ATOM 0 HG LEU A 46 5.617 -3.622 14.429 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.888 -1.868 14.713 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.131 -1.750 15.981 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.144 -0.612 14.613 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.507 -2.670 12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.764 -1.414 12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.191 -3.122 12.069 1.00 0.00 H new ATOM 712 N THR A 47 10.241 -4.064 14.612 1.00 0.00 N ATOM 713 CA THR A 47 11.669 -3.958 15.030 1.00 0.00 C ATOM 714 C THR A 47 12.581 -4.532 13.943 1.00 0.00 C ATOM 715 O THR A 47 13.725 -4.141 13.809 1.00 0.00 O ATOM 716 CB THR A 47 11.770 -4.793 16.308 1.00 0.00 C ATOM 717 OG1 THR A 47 11.494 -6.154 16.006 1.00 0.00 O ATOM 718 CG2 THR A 47 10.758 -4.281 17.335 1.00 0.00 C ATOM 0 H THR A 47 9.793 -4.956 14.820 1.00 0.00 H new ATOM 0 HA THR A 47 11.977 -2.925 15.192 1.00 0.00 H new ATOM 0 HB THR A 47 12.776 -4.709 16.719 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.560 -6.690 16.824 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.830 -4.876 18.245 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.971 -3.237 17.566 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.751 -4.364 16.926 1.00 0.00 H new ATOM 726 N THR A 48 12.085 -5.455 13.166 1.00 0.00 N ATOM 727 CA THR A 48 12.924 -6.053 12.088 1.00 0.00 C ATOM 728 C THR A 48 12.357 -5.687 10.714 1.00 0.00 C ATOM 729 O THR A 48 13.000 -5.865 9.698 1.00 0.00 O ATOM 730 CB THR A 48 12.846 -7.564 12.316 1.00 0.00 C ATOM 731 OG1 THR A 48 11.517 -8.007 12.081 1.00 0.00 O ATOM 732 CG2 THR A 48 13.246 -7.885 13.756 1.00 0.00 C ATOM 0 H THR A 48 11.135 -5.821 13.230 1.00 0.00 H new ATOM 0 HA THR A 48 13.952 -5.690 12.115 1.00 0.00 H new ATOM 0 HB THR A 48 13.525 -8.072 11.632 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.465 -8.975 12.225 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.190 -8.961 13.918 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.265 -7.543 13.935 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.568 -7.379 14.443 1.00 0.00 H new ATOM 740 N GLY A 49 11.157 -5.177 10.674 1.00 0.00 N ATOM 741 CA GLY A 49 10.549 -4.801 9.367 1.00 0.00 C ATOM 742 C GLY A 49 10.145 -6.067 8.608 1.00 0.00 C ATOM 743 O GLY A 49 10.303 -6.160 7.407 1.00 0.00 O ATOM 0 H GLY A 49 10.571 -5.004 11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.677 -4.167 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.259 -4.222 8.777 1.00 0.00 H new ATOM 747 N GLN A 50 9.625 -7.044 9.300 1.00 0.00 N ATOM 748 CA GLN A 50 9.213 -8.303 8.616 1.00 0.00 C ATOM 749 C GLN A 50 7.769 -8.657 8.981 1.00 0.00 C ATOM 750 O GLN A 50 7.263 -8.264 10.014 1.00 0.00 O ATOM 751 CB GLN A 50 10.174 -9.371 9.141 1.00 0.00 C ATOM 752 CG GLN A 50 11.343 -9.528 8.166 1.00 0.00 C ATOM 753 CD GLN A 50 12.430 -10.391 8.810 1.00 0.00 C ATOM 754 OE1 GLN A 50 12.245 -10.914 9.891 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.564 -10.564 8.187 1.00 0.00 N ATOM 0 H GLN A 50 9.468 -7.025 10.308 1.00 0.00 H new ATOM 0 HA GLN A 50 9.253 -8.214 7.530 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.544 -9.090 10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.652 -10.321 9.256 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.999 -9.988 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.747 -8.550 7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.719 -10.125 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.295 -11.138 8.608 1.00 0.00 H new ATOM 764 N GLU A 51 7.102 -9.400 8.140 1.00 0.00 N ATOM 765 CA GLU A 51 5.692 -9.784 8.436 1.00 0.00 C ATOM 766 C GLU A 51 5.548 -11.307 8.414 1.00 0.00 C ATOM 767 O GLU A 51 6.286 -11.999 7.740 1.00 0.00 O ATOM 768 CB GLU A 51 4.867 -9.151 7.315 1.00 0.00 C ATOM 769 CG GLU A 51 5.224 -7.669 7.194 1.00 0.00 C ATOM 770 CD GLU A 51 4.496 -7.065 5.991 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.028 -7.829 5.163 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.418 -5.849 5.920 1.00 0.00 O ATOM 0 H GLU A 51 7.473 -9.758 7.260 1.00 0.00 H new ATOM 0 HA GLU A 51 5.367 -9.447 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.063 -9.661 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.803 -9.264 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.943 -7.141 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.301 -7.552 7.077 1.00 0.00 H new ATOM 779 N GLY A 52 4.608 -11.838 9.147 1.00 0.00 N ATOM 780 CA GLY A 52 4.428 -13.317 9.164 1.00 0.00 C ATOM 781 C GLY A 52 3.079 -13.667 9.797 1.00 0.00 C ATOM 782 O GLY A 52 2.129 -12.914 9.719 1.00 0.00 O ATOM 0 H GLY A 52 3.959 -11.313 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.477 -13.710 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.236 -13.785 9.726 1.00 0.00 H new ATOM 786 N PHE A 53 2.996 -14.804 10.430 1.00 0.00 N ATOM 787 CA PHE A 53 1.717 -15.210 11.080 1.00 0.00 C ATOM 788 C PHE A 53 1.978 -15.588 12.540 1.00 0.00 C ATOM 789 O PHE A 53 3.003 -16.152 12.869 1.00 0.00 O ATOM 790 CB PHE A 53 1.236 -16.424 10.286 1.00 0.00 C ATOM 791 CG PHE A 53 0.898 -16.000 8.876 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.313 -15.352 8.611 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.799 -16.255 7.835 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.625 -14.959 7.304 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.487 -15.861 6.528 1.00 0.00 C ATOM 796 CZ PHE A 53 0.274 -15.213 6.263 1.00 0.00 C ATOM 0 H PHE A 53 3.761 -15.472 10.526 1.00 0.00 H new ATOM 0 HA PHE A 53 0.976 -14.411 11.082 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.009 -17.192 10.271 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.361 -16.862 10.765 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.007 -15.155 9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.734 -16.755 8.040 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.560 -14.459 7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.182 -16.057 5.724 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.033 -14.909 5.255 1.00 0.00 H new ATOM 806 N ILE A 54 1.068 -15.276 13.420 1.00 0.00 N ATOM 807 CA ILE A 54 1.283 -15.615 14.855 1.00 0.00 C ATOM 808 C ILE A 54 -0.022 -16.085 15.501 1.00 0.00 C ATOM 809 O ILE A 54 -1.074 -15.528 15.257 1.00 0.00 O ATOM 810 CB ILE A 54 1.754 -14.310 15.497 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.646 -13.260 15.392 1.00 0.00 C ATOM 812 CG2 ILE A 54 3.003 -13.807 14.771 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.029 -13.028 16.773 1.00 0.00 C ATOM 0 H ILE A 54 0.189 -14.803 13.210 1.00 0.00 H new ATOM 0 HA ILE A 54 2.003 -16.424 14.981 1.00 0.00 H new ATOM 0 HB ILE A 54 1.989 -14.486 16.547 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.051 -12.326 15.002 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.120 -13.593 14.691 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.340 -12.876 15.228 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.793 -14.554 14.846 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.768 -13.631 13.721 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.760 -12.280 16.698 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.391 -13.962 17.146 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.798 -12.676 17.461 1.00 0.00 H new ATOM 825 N PRO A 55 0.098 -17.097 16.316 1.00 0.00 N ATOM 826 CA PRO A 55 -1.112 -17.621 17.004 1.00 0.00 C ATOM 827 C PRO A 55 -1.749 -16.517 17.851 1.00 0.00 C ATOM 828 O PRO A 55 -1.098 -15.563 18.231 1.00 0.00 O ATOM 829 CB PRO A 55 -0.578 -18.742 17.889 1.00 0.00 C ATOM 830 CG PRO A 55 0.853 -18.392 18.118 1.00 0.00 C ATOM 831 CD PRO A 55 1.324 -17.682 16.879 1.00 0.00 C ATOM 0 HA PRO A 55 -1.881 -17.969 16.314 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.127 -18.801 18.829 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.676 -19.712 17.402 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.960 -17.754 18.995 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.447 -19.288 18.301 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.061 -16.914 17.115 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.795 -18.372 16.179 1.00 0.00 H new ATOM 839 N PHE A 56 -3.013 -16.629 18.145 1.00 0.00 N ATOM 840 CA PHE A 56 -3.682 -15.576 18.960 1.00 0.00 C ATOM 841 C PHE A 56 -3.469 -15.830 20.457 1.00 0.00 C ATOM 842 O PHE A 56 -3.907 -15.061 21.290 1.00 0.00 O ATOM 843 CB PHE A 56 -5.166 -15.673 18.595 1.00 0.00 C ATOM 844 CG PHE A 56 -5.797 -16.850 19.305 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.699 -18.134 18.757 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.481 -16.654 20.510 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.286 -19.222 19.414 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.069 -17.741 21.167 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.971 -19.026 20.619 1.00 0.00 C ATOM 0 H PHE A 56 -3.612 -17.403 17.857 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.278 -14.584 18.757 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.679 -14.752 18.874 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.277 -15.786 17.517 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.171 -18.286 17.827 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.555 -15.663 20.933 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.210 -20.213 18.991 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.598 -17.589 22.096 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.424 -19.865 21.126 1.00 0.00 H new ATOM 859 N ASN A 57 -2.808 -16.900 20.811 1.00 0.00 N ATOM 860 CA ASN A 57 -2.585 -17.189 22.257 1.00 0.00 C ATOM 861 C ASN A 57 -1.144 -16.853 22.661 1.00 0.00 C ATOM 862 O ASN A 57 -0.688 -17.227 23.723 1.00 0.00 O ATOM 863 CB ASN A 57 -2.841 -18.689 22.405 1.00 0.00 C ATOM 864 CG ASN A 57 -4.347 -18.948 22.480 1.00 0.00 C ATOM 865 OD1 ASN A 57 -5.089 -18.201 23.251 1.00 0.00 O flip ATOM 866 ND2 ASN A 57 -4.854 -19.841 21.831 1.00 0.00 N flip ATOM 0 H ASN A 57 -2.414 -17.584 20.164 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.237 -16.593 22.896 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.411 -19.227 21.560 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.352 -19.065 23.304 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.275 -20.425 21.228 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.859 -20.006 21.889 1.00 0.00 H new ATOM 873 N PHE A 58 -0.426 -16.148 21.830 1.00 0.00 N ATOM 874 CA PHE A 58 0.980 -15.791 22.184 1.00 0.00 C ATOM 875 C PHE A 58 1.091 -14.285 22.436 1.00 0.00 C ATOM 876 O PHE A 58 2.118 -13.789 22.853 1.00 0.00 O ATOM 877 CB PHE A 58 1.826 -16.200 20.975 1.00 0.00 C ATOM 878 CG PHE A 58 2.097 -17.686 21.027 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.035 -18.591 21.142 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.414 -18.158 20.964 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.289 -19.967 21.191 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.668 -19.534 21.014 1.00 0.00 C ATOM 883 CZ PHE A 58 2.606 -20.438 21.128 1.00 0.00 C ATOM 0 H PHE A 58 -0.749 -15.805 20.925 1.00 0.00 H new ATOM 0 HA PHE A 58 1.313 -16.294 23.092 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.305 -15.947 20.051 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.766 -15.648 20.972 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.019 -18.228 21.193 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.234 -17.460 20.877 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.469 -20.665 21.277 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.684 -19.898 20.965 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.802 -21.499 21.167 1.00 0.00 H new ATOM 893 N VAL A 59 0.037 -13.556 22.188 1.00 0.00 N ATOM 894 CA VAL A 59 0.076 -12.083 22.416 1.00 0.00 C ATOM 895 C VAL A 59 -1.233 -11.617 23.060 1.00 0.00 C ATOM 896 O VAL A 59 -2.292 -12.144 22.783 1.00 0.00 O ATOM 897 CB VAL A 59 0.238 -11.471 21.024 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.405 -12.145 20.301 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.049 -11.681 20.222 1.00 0.00 C ATOM 0 H VAL A 59 -0.850 -13.917 21.837 1.00 0.00 H new ATOM 0 HA VAL A 59 0.884 -11.788 23.086 1.00 0.00 H new ATOM 0 HB VAL A 59 0.438 -10.404 21.118 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.520 -11.708 19.309 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.322 -11.995 20.871 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.207 -13.213 20.207 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.934 -11.245 19.230 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.249 -12.748 20.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.881 -11.199 20.736 1.00 0.00 H new ATOM 909 N ALA A 60 -1.171 -10.636 23.918 1.00 0.00 N ATOM 910 CA ALA A 60 -2.416 -10.145 24.577 1.00 0.00 C ATOM 911 C ALA A 60 -2.204 -8.734 25.135 1.00 0.00 C ATOM 912 O ALA A 60 -3.064 -7.883 25.036 1.00 0.00 O ATOM 913 CB ALA A 60 -2.681 -11.135 25.711 1.00 0.00 C ATOM 0 H ALA A 60 -0.315 -10.154 24.191 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.253 -10.087 23.881 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.584 -10.842 26.246 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.813 -12.135 25.298 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.835 -11.135 26.399 1.00 0.00 H new ATOM 919 N LYS A 61 -1.067 -8.484 25.726 1.00 0.00 N ATOM 920 CA LYS A 61 -0.801 -7.130 26.293 1.00 0.00 C ATOM 921 C LYS A 61 -1.296 -6.045 25.333 1.00 0.00 C ATOM 922 O LYS A 61 -1.672 -4.966 25.743 1.00 0.00 O ATOM 923 CB LYS A 61 0.718 -7.058 26.448 1.00 0.00 C ATOM 924 CG LYS A 61 1.179 -8.114 27.454 1.00 0.00 C ATOM 925 CD LYS A 61 2.628 -7.836 27.859 1.00 0.00 C ATOM 926 CE LYS A 61 3.075 -8.868 28.897 1.00 0.00 C ATOM 927 NZ LYS A 61 4.461 -8.466 29.265 1.00 0.00 N ATOM 0 H LYS A 61 -0.311 -9.159 25.841 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.316 -6.971 27.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.201 -7.223 25.485 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.013 -6.065 26.786 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.535 -8.099 28.334 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.097 -9.109 27.016 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.276 -7.880 26.984 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.715 -6.830 28.270 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.418 -8.863 29.767 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.052 -9.877 28.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.837 -9.127 29.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.065 -8.486 28.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.450 -7.504 29.660 1.00 0.00 H new ATOM 941 N ALA A 62 -1.299 -6.325 24.059 1.00 0.00 N ATOM 942 CA ALA A 62 -1.772 -5.308 23.076 1.00 0.00 C ATOM 943 C ALA A 62 -1.096 -3.960 23.342 1.00 0.00 C ATOM 944 O ALA A 62 -1.617 -2.916 23.004 1.00 0.00 O ATOM 945 CB ALA A 62 -3.280 -5.206 23.306 1.00 0.00 C ATOM 0 H ALA A 62 -0.995 -7.211 23.656 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.534 -5.585 22.049 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.704 -4.475 22.618 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.741 -6.178 23.132 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.471 -4.892 24.332 1.00 0.00 H new ATOM 951 N ASN A 63 0.061 -3.975 23.946 1.00 0.00 N ATOM 952 CA ASN A 63 0.768 -2.694 24.234 1.00 0.00 C ATOM 953 C ASN A 63 1.936 -2.503 23.263 1.00 0.00 C ATOM 954 O ASN A 63 1.941 -3.164 22.237 1.00 0.00 O ATOM 955 CB ASN A 63 1.279 -2.838 25.667 1.00 0.00 C ATOM 956 CG ASN A 63 1.692 -1.465 26.203 1.00 0.00 C ATOM 957 OD1 ASN A 63 0.913 -0.534 26.181 1.00 0.00 O ATOM 958 ND2 ASN A 63 2.892 -1.301 26.686 1.00 0.00 N ATOM 959 OXT ASN A 63 2.804 -1.700 23.562 1.00 0.00 O ATOM 0 H ASN A 63 0.547 -4.818 24.252 1.00 0.00 H new ATOM 0 HA ASN A 63 0.116 -1.828 24.119 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.503 -3.268 26.300 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.128 -3.521 25.695 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.177 -0.390 27.046 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.546 -2.084 26.704 1.00 0.00 H new TER 966 ASN A 63