USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 777 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 107 LYS NZ :NH3+ -147:sc= -1.6! (180deg=-0.874) USER MOD Set 1.2: A 109 THR OG1 : rot -10:sc= -1.54! USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 THR OG1 : rot -62:sc= 0.591 USER MOD Set 3.1: A 38 GLN : amide:sc= -8.55! C(o=-9.3!,f=-19!) USER MOD Set 3.2: A 89 TYR OH : rot 56:sc= -0.789 USER MOD Set 4.1: A 31 SER OG : rot -4:sc= 0.95 USER MOD Set 4.2: A 32 ASN : amide:sc= -5.35! C(o=-4.4!,f=-4.6!) USER MOD Set 5.1: A 28 SER OG : rot 45:sc= 1.24 USER MOD Set 5.2: A 72 ASN : amide:sc= 1.08 K(o=2.3,f=-3.3) USER MOD Single : A 1 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.095) USER MOD Single : A 1 ASN N :NH3+ -166:sc= 0 (180deg=-0.156) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -7.61! C(o=-7.6!,f=-8!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 9 SER OG : rot 13:sc= 0.491 USER MOD Single : A 11 SER OG : rot 180:sc= -0.449 USER MOD Single : A 13 SER OG : rot 180:sc= -0.18 USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.231) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -122:sc= 0.914 USER MOD Single : A 26 SER OG : rot -119:sc= 0.407 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0106 F(o=-1.5!,f=-0.011) USER MOD Single : A 39 GLN : amide:sc= 0.032 X(o=0.032,f=0) USER MOD Single : A 43 SER OG : rot 2:sc= -0.392 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.316 F(o=-4.3!,f=-0.32) USER MOD Single : A 54 GLN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -76:sc= 0.681 USER MOD Single : A 69 SER OG : rot 180:sc= -0.193 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -38:sc= 0.131 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 98:sc= -0.0188 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -3.95! C(o=-3.9!,f=-5.6!) USER MOD Single : A 93 SER OG : rot 160:sc= -2.22! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.42) USER MOD Single : A 99 HIS : no HD1:sc= -0.771 K(o=-0.77,f=-4.9!) USER MOD Single : A 106 THR OG1 : rot -32:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 69.440 10.291 -15.394 1.00 0.00 N ATOM 2 CA ASN A 1 70.910 10.049 -15.409 1.00 0.00 C ATOM 3 C ASN A 1 71.336 9.489 -14.055 1.00 0.00 C ATOM 4 O ASN A 1 71.979 10.174 -13.258 1.00 0.00 O ATOM 5 CB ASN A 1 71.641 11.365 -15.681 1.00 0.00 C ATOM 6 CG ASN A 1 71.181 11.957 -17.009 1.00 0.00 C ATOM 7 OD1 ASN A 1 70.889 13.149 -17.089 1.00 0.00 O ATOM 8 ND2 ASN A 1 71.122 11.198 -18.069 1.00 0.00 N ATOM 0 H1 ASN A 1 69.103 10.443 -16.366 1.00 0.00 H new ATOM 0 H2 ASN A 1 68.957 9.466 -14.985 1.00 0.00 H new ATOM 0 H3 ASN A 1 69.233 11.133 -14.820 1.00 0.00 H new ATOM 0 HA ASN A 1 71.160 9.334 -16.193 1.00 0.00 H new ATOM 0 HB2 ASN A 1 71.448 12.071 -14.873 1.00 0.00 H new ATOM 0 HB3 ASN A 1 72.717 11.194 -15.704 1.00 0.00 H new ATOM 0 HD21 ASN A 1 70.834 11.593 -18.964 1.00 0.00 H new ATOM 0 HD22 ASN A 1 71.364 10.209 -18.003 1.00 0.00 H new ATOM 17 N PHE A 2 70.907 8.261 -13.773 1.00 0.00 N ATOM 18 CA PHE A 2 71.220 7.614 -12.503 1.00 0.00 C ATOM 19 C PHE A 2 72.433 6.706 -12.675 1.00 0.00 C ATOM 20 O PHE A 2 72.340 5.643 -13.289 1.00 0.00 O ATOM 21 CB PHE A 2 69.999 6.810 -12.034 1.00 0.00 C ATOM 22 CG PHE A 2 69.237 7.556 -10.964 1.00 0.00 C ATOM 23 CD1 PHE A 2 69.624 7.427 -9.625 1.00 0.00 C ATOM 24 CD2 PHE A 2 68.247 8.479 -11.318 1.00 0.00 C ATOM 25 CE1 PHE A 2 68.958 8.155 -8.631 1.00 0.00 C ATOM 26 CE2 PHE A 2 67.574 9.199 -10.324 1.00 0.00 C ATOM 27 CZ PHE A 2 67.900 9.004 -8.977 1.00 0.00 C ATOM 0 H PHE A 2 70.342 7.695 -14.407 1.00 0.00 H new ATOM 0 HA PHE A 2 71.458 8.365 -11.750 1.00 0.00 H new ATOM 0 HB2 PHE A 2 69.343 6.612 -12.881 1.00 0.00 H new ATOM 0 HB3 PHE A 2 70.322 5.843 -11.648 1.00 0.00 H new ATOM 0 HD1 PHE A 2 70.436 6.766 -9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 2 68.002 8.636 -12.358 1.00 0.00 H new ATOM 0 HE1 PHE A 2 69.260 8.061 -7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 2 66.803 9.905 -10.596 1.00 0.00 H new ATOM 0 HZ PHE A 2 67.336 9.508 -8.206 1.00 0.00 H new ATOM 37 N MET A 3 73.538 7.082 -12.040 1.00 0.00 N ATOM 38 CA MET A 3 74.742 6.262 -12.065 1.00 0.00 C ATOM 39 C MET A 3 75.589 6.549 -10.829 1.00 0.00 C ATOM 40 O MET A 3 75.351 7.530 -10.122 1.00 0.00 O ATOM 41 CB MET A 3 75.548 6.555 -13.337 1.00 0.00 C ATOM 42 CG MET A 3 75.047 5.700 -14.504 1.00 0.00 C ATOM 43 SD MET A 3 76.205 5.819 -15.890 1.00 0.00 S ATOM 44 CE MET A 3 75.531 4.493 -16.924 1.00 0.00 C ATOM 0 H MET A 3 73.624 7.946 -11.504 1.00 0.00 H new ATOM 0 HA MET A 3 74.458 5.210 -12.063 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.464 7.612 -13.591 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.604 6.353 -13.159 1.00 0.00 H new ATOM 0 HG2 MET A 3 74.947 4.661 -14.189 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.058 6.036 -14.815 1.00 0.00 H new ATOM 0 HE1 MET A 3 76.119 4.410 -17.838 1.00 0.00 H new ATOM 0 HE2 MET A 3 75.572 3.550 -16.379 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.496 4.720 -17.178 1.00 0.00 H new ATOM 54 N LEU A 4 76.613 5.730 -10.601 1.00 0.00 N ATOM 55 CA LEU A 4 77.508 5.908 -9.466 1.00 0.00 C ATOM 56 C LEU A 4 78.959 5.876 -9.931 1.00 0.00 C ATOM 57 O LEU A 4 79.300 5.195 -10.897 1.00 0.00 O ATOM 58 CB LEU A 4 77.279 4.782 -8.456 1.00 0.00 C ATOM 59 CG LEU A 4 75.884 4.907 -7.833 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.470 3.584 -7.170 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.834 6.071 -6.833 1.00 0.00 C ATOM 0 H LEU A 4 76.842 4.932 -11.193 1.00 0.00 H new ATOM 0 HA LEU A 4 77.302 6.872 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.380 3.815 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.039 4.823 -7.676 1.00 0.00 H new ATOM 0 HG LEU A 4 75.170 5.124 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.477 3.691 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.454 2.792 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.185 3.330 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.834 6.140 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.559 5.899 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.073 7.002 -7.346 1.00 0.00 H new ATOM 73 N THR A 5 79.810 6.597 -9.209 1.00 0.00 N ATOM 74 CA THR A 5 81.236 6.653 -9.517 1.00 0.00 C ATOM 75 C THR A 5 82.054 6.299 -8.280 1.00 0.00 C ATOM 76 O THR A 5 81.867 6.892 -7.217 1.00 0.00 O ATOM 77 CB THR A 5 81.603 8.058 -10.004 1.00 0.00 C ATOM 78 OG1 THR A 5 81.017 8.275 -11.279 1.00 0.00 O ATOM 79 CG2 THR A 5 83.123 8.205 -10.106 1.00 0.00 C ATOM 0 H THR A 5 79.535 7.155 -8.401 1.00 0.00 H new ATOM 0 HA THR A 5 81.460 5.931 -10.303 1.00 0.00 H new ATOM 0 HB THR A 5 81.228 8.794 -9.292 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.247 9.173 -11.596 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.369 9.208 -10.453 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.571 8.040 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.513 7.471 -10.811 1.00 0.00 H new ATOM 87 N GLN A 6 83.027 5.407 -8.450 1.00 0.00 N ATOM 88 CA GLN A 6 83.868 4.975 -7.340 1.00 0.00 C ATOM 89 C GLN A 6 85.281 4.695 -7.851 1.00 0.00 C ATOM 90 O GLN A 6 85.519 4.758 -9.057 1.00 0.00 O ATOM 91 CB GLN A 6 83.271 3.725 -6.679 1.00 0.00 C ATOM 92 CG GLN A 6 81.776 3.611 -6.980 1.00 0.00 C ATOM 93 CD GLN A 6 81.220 2.352 -6.325 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.237 1.789 -6.805 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.857 1.812 -5.322 1.00 0.00 N ATOM 0 H GLN A 6 83.251 4.971 -9.344 1.00 0.00 H new ATOM 0 HA GLN A 6 83.914 5.765 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.788 2.836 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.427 3.769 -5.601 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.251 4.490 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.613 3.576 -8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.672 2.279 -4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.540 0.923 -4.936 1.00 0.00 H new ATOM 104 N PRO A 7 86.174 4.245 -7.008 1.00 0.00 N ATOM 105 CA PRO A 7 87.557 3.883 -7.432 1.00 0.00 C ATOM 106 C PRO A 7 87.589 2.561 -8.195 1.00 0.00 C ATOM 107 O PRO A 7 86.831 1.641 -7.890 1.00 0.00 O ATOM 108 CB PRO A 7 88.361 3.800 -6.127 1.00 0.00 C ATOM 109 CG PRO A 7 87.443 4.217 -5.022 1.00 0.00 C ATOM 110 CD PRO A 7 86.012 4.106 -5.550 1.00 0.00 C ATOM 0 HA PRO A 7 87.973 4.618 -8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.727 2.786 -5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.234 4.451 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.580 3.580 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.658 5.239 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.559 3.151 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.371 4.887 -5.141 1.00 0.00 H new ATOM 118 N HIS A 8 88.505 2.457 -9.151 1.00 0.00 N ATOM 119 CA HIS A 8 88.669 1.225 -9.914 1.00 0.00 C ATOM 120 C HIS A 8 89.347 0.145 -9.076 1.00 0.00 C ATOM 121 O HIS A 8 89.009 -1.035 -9.177 1.00 0.00 O ATOM 122 CB HIS A 8 89.485 1.506 -11.177 1.00 0.00 C ATOM 123 CG HIS A 8 89.419 0.317 -12.097 1.00 0.00 C ATOM 124 ND1 HIS A 8 90.417 -0.642 -12.141 1.00 0.00 N ATOM 125 CD2 HIS A 8 88.487 -0.066 -13.032 1.00 0.00 C ATOM 126 CE1 HIS A 8 90.063 -1.554 -13.063 1.00 0.00 C ATOM 127 NE2 HIS A 8 88.889 -1.260 -13.626 1.00 0.00 N ATOM 0 H HIS A 8 89.143 3.207 -9.416 1.00 0.00 H new ATOM 0 HA HIS A 8 87.682 0.859 -10.196 1.00 0.00 H new ATOM 0 HB2 HIS A 8 89.098 2.391 -11.682 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.521 1.717 -10.913 1.00 0.00 H new ATOM 0 HD2 HIS A 8 87.583 0.475 -13.269 1.00 0.00 H new ATOM 0 HE1 HIS A 8 90.657 -2.420 -13.317 1.00 0.00 H new ATOM 0 HE2 HIS A 8 88.393 -1.795 -14.339 1.00 0.00 H new ATOM 135 N SER A 9 90.345 0.544 -8.292 1.00 0.00 N ATOM 136 CA SER A 9 91.066 -0.399 -7.445 1.00 0.00 C ATOM 137 C SER A 9 92.012 0.353 -6.515 1.00 0.00 C ATOM 138 O SER A 9 92.553 1.398 -6.875 1.00 0.00 O ATOM 139 CB SER A 9 91.858 -1.386 -8.306 1.00 0.00 C ATOM 140 OG SER A 9 90.977 -2.364 -8.838 1.00 0.00 O ATOM 0 H SER A 9 90.671 1.508 -8.226 1.00 0.00 H new ATOM 0 HA SER A 9 90.344 -0.954 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.362 -0.857 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.633 -1.866 -7.708 1.00 0.00 H new ATOM 0 HG SER A 9 90.050 -2.077 -8.704 1.00 0.00 H new ATOM 146 N VAL A 10 92.192 -0.179 -5.311 1.00 0.00 N ATOM 147 CA VAL A 10 93.031 0.466 -4.307 1.00 0.00 C ATOM 148 C VAL A 10 93.498 -0.560 -3.280 1.00 0.00 C ATOM 149 O VAL A 10 92.864 -1.597 -3.085 1.00 0.00 O ATOM 150 CB VAL A 10 92.258 1.605 -3.631 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.822 1.175 -3.288 1.00 0.00 C ATOM 152 CG2 VAL A 10 93.003 2.068 -2.375 1.00 0.00 C ATOM 0 H VAL A 10 91.768 -1.055 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 10 93.911 0.890 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 10 92.192 2.440 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.299 2.003 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.298 0.894 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.850 0.323 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.448 2.877 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.096 1.234 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.996 2.422 -2.651 1.00 0.00 H new ATOM 162 N SER A 11 94.555 -0.212 -2.553 1.00 0.00 N ATOM 163 CA SER A 11 95.107 -1.084 -1.523 1.00 0.00 C ATOM 164 C SER A 11 95.435 -0.278 -0.271 1.00 0.00 C ATOM 165 O SER A 11 95.482 0.952 -0.311 1.00 0.00 O ATOM 166 CB SER A 11 96.377 -1.761 -2.043 1.00 0.00 C ATOM 167 OG SER A 11 96.064 -2.533 -3.192 1.00 0.00 O ATOM 0 H SER A 11 95.049 0.674 -2.660 1.00 0.00 H new ATOM 0 HA SER A 11 94.367 -1.844 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.128 -1.010 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.806 -2.398 -1.269 1.00 0.00 H new ATOM 0 HG SER A 11 96.877 -2.966 -3.527 1.00 0.00 H new ATOM 173 N GLU A 12 95.671 -0.978 0.835 1.00 0.00 N ATOM 174 CA GLU A 12 96.012 -0.315 2.088 1.00 0.00 C ATOM 175 C GLU A 12 96.780 -1.264 3.001 1.00 0.00 C ATOM 176 O GLU A 12 96.572 -2.476 2.962 1.00 0.00 O ATOM 177 CB GLU A 12 94.734 0.136 2.796 1.00 0.00 C ATOM 178 CG GLU A 12 95.088 1.029 3.987 1.00 0.00 C ATOM 179 CD GLU A 12 95.671 2.349 3.494 1.00 0.00 C ATOM 180 OE1 GLU A 12 94.984 3.034 2.756 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.784 2.666 3.882 1.00 0.00 O ATOM 0 H GLU A 12 95.633 -1.996 0.889 1.00 0.00 H new ATOM 0 HA GLU A 12 96.637 0.549 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.094 0.679 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.170 -0.733 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.198 1.217 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.807 0.522 4.631 1.00 0.00 H new ATOM 188 N SER A 13 97.702 -0.716 3.787 1.00 0.00 N ATOM 189 CA SER A 13 98.522 -1.538 4.671 1.00 0.00 C ATOM 190 C SER A 13 97.798 -1.766 5.998 1.00 0.00 C ATOM 191 O SER A 13 97.159 -0.843 6.504 1.00 0.00 O ATOM 192 CB SER A 13 99.876 -0.855 4.895 1.00 0.00 C ATOM 193 OG SER A 13 100.911 -1.823 4.805 1.00 0.00 O ATOM 0 H SER A 13 97.899 0.284 3.830 1.00 0.00 H new ATOM 0 HA SER A 13 98.694 -2.510 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.029 -0.072 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.896 -0.374 5.873 1.00 0.00 H new ATOM 0 HG SER A 13 101.778 -1.389 4.946 1.00 0.00 H new ATOM 199 N PRO A 14 98.057 -2.856 6.675 1.00 0.00 N ATOM 200 CA PRO A 14 97.393 -3.152 7.976 1.00 0.00 C ATOM 201 C PRO A 14 97.673 -2.065 9.011 1.00 0.00 C ATOM 202 O PRO A 14 98.640 -1.313 8.889 1.00 0.00 O ATOM 203 CB PRO A 14 97.956 -4.511 8.421 1.00 0.00 C ATOM 204 CG PRO A 14 98.918 -4.966 7.367 1.00 0.00 C ATOM 205 CD PRO A 14 98.795 -4.024 6.165 1.00 0.00 C ATOM 0 HA PRO A 14 96.308 -3.181 7.873 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.457 -4.421 9.385 1.00 0.00 H new ATOM 0 HB3 PRO A 14 97.152 -5.237 8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.937 -4.957 7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.699 -5.992 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.776 -3.737 5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.262 -4.500 5.342 1.00 0.00 H new ATOM 213 N GLY A 15 96.801 -1.968 10.010 1.00 0.00 N ATOM 214 CA GLY A 15 96.992 -1.016 11.100 1.00 0.00 C ATOM 215 C GLY A 15 96.442 0.357 10.729 1.00 0.00 C ATOM 216 O GLY A 15 96.158 1.179 11.601 1.00 0.00 O ATOM 0 H GLY A 15 95.957 -2.535 10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.493 -1.381 11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 15 98.053 -0.935 11.335 1.00 0.00 H new ATOM 220 N LYS A 16 96.199 0.556 9.437 1.00 0.00 N ATOM 221 CA LYS A 16 95.636 1.810 8.943 1.00 0.00 C ATOM 222 C LYS A 16 94.144 1.645 8.674 1.00 0.00 C ATOM 223 O LYS A 16 93.542 0.651 9.082 1.00 0.00 O ATOM 224 CB LYS A 16 96.339 2.227 7.649 1.00 0.00 C ATOM 225 CG LYS A 16 97.854 2.079 7.811 1.00 0.00 C ATOM 226 CD LYS A 16 98.323 2.865 9.039 1.00 0.00 C ATOM 227 CE LYS A 16 99.834 3.104 8.958 1.00 0.00 C ATOM 228 NZ LYS A 16 100.536 1.795 8.842 1.00 0.00 N ATOM 0 H LYS A 16 96.383 -0.136 8.711 1.00 0.00 H new ATOM 0 HA LYS A 16 95.784 2.579 9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.991 1.611 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.089 3.260 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 98.116 1.027 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.362 2.444 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.797 3.818 9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.081 2.315 9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.068 3.732 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.177 3.636 9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.545 1.922 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.121 1.118 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.432 1.430 7.874 1.00 0.00 H new ATOM 242 N THR A 17 93.526 2.687 8.127 1.00 0.00 N ATOM 243 CA THR A 17 92.101 2.658 7.814 1.00 0.00 C ATOM 244 C THR A 17 91.866 2.726 6.312 1.00 0.00 C ATOM 245 O THR A 17 92.770 3.039 5.537 1.00 0.00 O ATOM 246 CB THR A 17 91.389 3.843 8.473 1.00 0.00 C ATOM 247 OG1 THR A 17 92.077 5.040 8.140 1.00 0.00 O ATOM 248 CG2 THR A 17 91.379 3.689 9.998 1.00 0.00 C ATOM 0 H THR A 17 93.991 3.564 7.891 1.00 0.00 H new ATOM 0 HA THR A 17 91.701 1.719 8.197 1.00 0.00 H new ATOM 0 HB THR A 17 90.361 3.877 8.113 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.626 5.803 8.557 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.869 4.541 10.446 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.857 2.771 10.268 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.404 3.645 10.366 1.00 0.00 H new ATOM 256 N VAL A 18 90.649 2.365 5.915 1.00 0.00 N ATOM 257 CA VAL A 18 90.250 2.383 4.513 1.00 0.00 C ATOM 258 C VAL A 18 89.046 3.298 4.331 1.00 0.00 C ATOM 259 O VAL A 18 88.022 3.144 4.996 1.00 0.00 O ATOM 260 CB VAL A 18 89.921 0.955 4.073 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.215 0.963 2.717 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.214 0.141 3.995 1.00 0.00 C ATOM 0 H VAL A 18 89.916 2.054 6.553 1.00 0.00 H new ATOM 0 HA VAL A 18 91.063 2.766 3.897 1.00 0.00 H new ATOM 0 HB VAL A 18 89.250 0.500 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.988 -0.061 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.289 1.533 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.864 1.423 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.984 -0.877 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.889 0.599 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.691 0.120 4.975 1.00 0.00 H new ATOM 272 N THR A 19 89.142 4.187 3.348 1.00 0.00 N ATOM 273 CA THR A 19 88.063 5.113 3.038 1.00 0.00 C ATOM 274 C THR A 19 87.627 4.906 1.593 1.00 0.00 C ATOM 275 O THR A 19 88.433 5.021 0.671 1.00 0.00 O ATOM 276 CB THR A 19 88.563 6.544 3.236 1.00 0.00 C ATOM 277 OG1 THR A 19 88.868 6.759 4.606 1.00 0.00 O ATOM 278 CG2 THR A 19 87.471 7.516 2.791 1.00 0.00 C ATOM 0 H THR A 19 89.962 4.284 2.750 1.00 0.00 H new ATOM 0 HA THR A 19 87.213 4.935 3.696 1.00 0.00 H new ATOM 0 HB THR A 19 89.463 6.706 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 19 89.190 7.676 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.818 8.540 2.928 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.242 7.348 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.574 7.354 3.388 1.00 0.00 H new ATOM 286 N ILE A 20 86.344 4.617 1.405 1.00 0.00 N ATOM 287 CA ILE A 20 85.782 4.419 0.074 1.00 0.00 C ATOM 288 C ILE A 20 84.779 5.526 -0.236 1.00 0.00 C ATOM 289 O ILE A 20 83.759 5.655 0.441 1.00 0.00 O ATOM 290 CB ILE A 20 85.089 3.056 0.009 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.031 1.971 0.543 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.718 2.739 -1.443 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.335 0.609 0.619 1.00 0.00 C ATOM 0 H ILE A 20 85.670 4.514 2.163 1.00 0.00 H new ATOM 0 HA ILE A 20 86.584 4.451 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 20 84.186 3.082 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.906 1.898 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.388 2.254 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.225 1.768 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 20 84.044 3.507 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.621 2.716 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.033 -0.135 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.475 0.677 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.001 0.315 -0.376 1.00 0.00 H new ATOM 305 N SER A 21 85.044 6.287 -1.293 1.00 0.00 N ATOM 306 CA SER A 21 84.158 7.374 -1.696 1.00 0.00 C ATOM 307 C SER A 21 83.319 6.947 -2.899 1.00 0.00 C ATOM 308 O SER A 21 83.851 6.418 -3.875 1.00 0.00 O ATOM 309 CB SER A 21 85.013 8.594 -2.057 1.00 0.00 C ATOM 310 OG SER A 21 84.424 9.299 -3.140 1.00 0.00 O ATOM 0 H SER A 21 85.865 6.171 -1.886 1.00 0.00 H new ATOM 0 HA SER A 21 83.483 7.625 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.106 9.251 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 21 86.020 8.275 -2.325 1.00 0.00 H new ATOM 0 HG SER A 21 84.976 10.077 -3.363 1.00 0.00 H new ATOM 316 N CYS A 22 82.008 7.160 -2.811 1.00 0.00 N ATOM 317 CA CYS A 22 81.064 6.773 -3.861 1.00 0.00 C ATOM 318 C CYS A 22 80.230 8.013 -4.202 1.00 0.00 C ATOM 319 O CYS A 22 79.645 8.626 -3.308 1.00 0.00 O ATOM 320 CB CYS A 22 80.173 5.608 -3.377 1.00 0.00 C ATOM 321 SG CYS A 22 80.787 3.962 -3.857 1.00 0.00 S ATOM 0 H CYS A 22 81.567 7.607 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 22 81.588 6.422 -4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.092 5.652 -2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.168 5.741 -3.777 1.00 0.00 H new ATOM 326 N THR A 23 80.278 8.478 -5.451 1.00 0.00 N ATOM 327 CA THR A 23 79.509 9.650 -5.876 1.00 0.00 C ATOM 328 C THR A 23 78.377 9.236 -6.809 1.00 0.00 C ATOM 329 O THR A 23 78.590 8.492 -7.766 1.00 0.00 O ATOM 330 CB THR A 23 80.389 10.662 -6.618 1.00 0.00 C ATOM 331 OG1 THR A 23 81.423 11.119 -5.758 1.00 0.00 O ATOM 332 CG2 THR A 23 79.561 11.868 -7.081 1.00 0.00 C ATOM 0 H THR A 23 80.844 8.059 -6.189 1.00 0.00 H new ATOM 0 HA THR A 23 79.110 10.111 -4.973 1.00 0.00 H new ATOM 0 HB THR A 23 80.816 10.167 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.985 11.764 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.206 12.573 -7.605 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.771 11.531 -7.752 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.116 12.358 -6.215 1.00 0.00 H new ATOM 340 N GLY A 24 77.196 9.805 -6.584 1.00 0.00 N ATOM 341 CA GLY A 24 76.018 9.494 -7.386 1.00 0.00 C ATOM 342 C GLY A 24 75.658 10.655 -8.306 1.00 0.00 C ATOM 343 O GLY A 24 75.983 11.809 -8.028 1.00 0.00 O ATOM 0 H GLY A 24 77.030 10.489 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.205 8.600 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.176 9.271 -6.730 1.00 0.00 H new ATOM 347 N SER A 25 74.933 10.341 -9.374 1.00 0.00 N ATOM 348 CA SER A 25 74.502 11.342 -10.345 1.00 0.00 C ATOM 349 C SER A 25 72.988 11.513 -10.297 1.00 0.00 C ATOM 350 O SER A 25 72.274 10.667 -9.759 1.00 0.00 O ATOM 351 CB SER A 25 74.915 10.909 -11.754 1.00 0.00 C ATOM 352 OG SER A 25 74.009 11.451 -12.705 1.00 0.00 O ATOM 0 H SER A 25 74.629 9.392 -9.591 1.00 0.00 H new ATOM 0 HA SER A 25 74.977 12.291 -10.097 1.00 0.00 H new ATOM 0 HB2 SER A 25 75.928 11.249 -11.967 1.00 0.00 H new ATOM 0 HB3 SER A 25 74.923 9.821 -11.823 1.00 0.00 H new ATOM 0 HG SER A 25 73.602 10.724 -13.221 1.00 0.00 H new ATOM 358 N SER A 26 72.517 12.653 -10.791 1.00 0.00 N ATOM 359 CA SER A 26 71.090 12.953 -10.775 1.00 0.00 C ATOM 360 C SER A 26 70.543 12.875 -9.355 1.00 0.00 C ATOM 361 O SER A 26 70.410 13.888 -8.668 1.00 0.00 O ATOM 362 CB SER A 26 70.332 11.969 -11.666 1.00 0.00 C ATOM 363 OG SER A 26 68.939 12.100 -11.428 1.00 0.00 O ATOM 0 H SER A 26 73.099 13.381 -11.205 1.00 0.00 H new ATOM 0 HA SER A 26 70.951 13.965 -11.155 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.554 12.165 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 26 70.654 10.949 -11.457 1.00 0.00 H new ATOM 0 HG SER A 26 68.582 11.249 -11.097 1.00 0.00 H new ATOM 369 N GLY A 27 70.237 11.661 -8.912 1.00 0.00 N ATOM 370 CA GLY A 27 69.680 11.477 -7.579 1.00 0.00 C ATOM 371 C GLY A 27 70.675 11.905 -6.507 1.00 0.00 C ATOM 372 O GLY A 27 71.884 11.913 -6.733 1.00 0.00 O ATOM 0 H GLY A 27 70.363 10.802 -9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 68.763 12.057 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.412 10.430 -7.434 1.00 0.00 H new ATOM 376 N SER A 28 70.155 12.276 -5.342 1.00 0.00 N ATOM 377 CA SER A 28 70.995 12.700 -4.227 1.00 0.00 C ATOM 378 C SER A 28 71.168 11.545 -3.244 1.00 0.00 C ATOM 379 O SER A 28 70.189 10.990 -2.746 1.00 0.00 O ATOM 380 CB SER A 28 70.352 13.911 -3.540 1.00 0.00 C ATOM 381 OG SER A 28 71.361 14.860 -3.225 1.00 0.00 O ATOM 0 H SER A 28 69.154 12.292 -5.145 1.00 0.00 H new ATOM 0 HA SER A 28 71.980 12.988 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 28 69.605 14.361 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 28 69.835 13.598 -2.633 1.00 0.00 H new ATOM 0 HG SER A 28 71.956 14.973 -3.996 1.00 0.00 H new ATOM 387 N ILE A 29 72.413 11.294 -2.858 1.00 0.00 N ATOM 388 CA ILE A 29 72.703 10.215 -1.923 1.00 0.00 C ATOM 389 C ILE A 29 72.046 10.485 -0.574 1.00 0.00 C ATOM 390 O ILE A 29 72.140 9.670 0.344 1.00 0.00 O ATOM 391 CB ILE A 29 74.215 10.073 -1.727 1.00 0.00 C ATOM 392 CG1 ILE A 29 74.870 11.446 -1.530 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.833 9.410 -2.959 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.477 12.076 -0.191 1.00 0.00 C ATOM 0 H ILE A 29 73.230 11.817 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 29 72.302 9.290 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 29 74.387 9.463 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.954 11.342 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.576 12.109 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.909 9.310 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.392 8.423 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.638 10.024 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 29 74.961 13.047 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.395 12.204 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.794 11.426 0.624 1.00 0.00 H new ATOM 406 N ALA A 30 71.319 11.595 -0.481 1.00 0.00 N ATOM 407 CA ALA A 30 70.609 11.943 0.746 1.00 0.00 C ATOM 408 C ALA A 30 69.111 11.722 0.560 1.00 0.00 C ATOM 409 O ALA A 30 68.385 11.471 1.522 1.00 0.00 O ATOM 410 CB ALA A 30 70.888 13.408 1.108 1.00 0.00 C ATOM 0 H ALA A 30 71.206 12.268 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 30 70.959 11.305 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.356 13.664 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.958 13.548 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.548 14.054 0.299 1.00 0.00 H new ATOM 416 N SER A 31 68.660 11.834 -0.684 1.00 0.00 N ATOM 417 CA SER A 31 67.247 11.638 -0.990 1.00 0.00 C ATOM 418 C SER A 31 66.896 10.154 -0.986 1.00 0.00 C ATOM 419 O SER A 31 65.725 9.782 -1.058 1.00 0.00 O ATOM 420 CB SER A 31 66.908 12.245 -2.351 1.00 0.00 C ATOM 421 OG SER A 31 67.801 11.736 -3.333 1.00 0.00 O ATOM 0 H SER A 31 69.244 12.057 -1.490 1.00 0.00 H new ATOM 0 HA SER A 31 66.661 12.139 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 31 65.879 12.007 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 31 66.982 13.332 -2.305 1.00 0.00 H new ATOM 0 HG SER A 31 68.466 11.159 -2.903 1.00 0.00 H new ATOM 427 N ASN A 32 67.922 9.314 -0.894 1.00 0.00 N ATOM 428 CA ASN A 32 67.731 7.868 -0.872 1.00 0.00 C ATOM 429 C ASN A 32 68.721 7.220 0.091 1.00 0.00 C ATOM 430 O ASN A 32 69.786 7.775 0.362 1.00 0.00 O ATOM 431 CB ASN A 32 67.936 7.299 -2.279 1.00 0.00 C ATOM 432 CG ASN A 32 67.311 8.225 -3.317 1.00 0.00 C ATOM 433 OD1 ASN A 32 67.978 8.634 -4.268 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.074 8.612 -3.169 1.00 0.00 N ATOM 0 H ASN A 32 68.896 9.611 -0.833 1.00 0.00 H new ATOM 0 HA ASN A 32 66.717 7.652 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 32 69.001 7.181 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.487 6.308 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.657 9.255 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.524 8.272 -2.380 1.00 0.00 H new ATOM 441 N TYR A 33 68.384 6.025 0.566 1.00 0.00 N ATOM 442 CA TYR A 33 69.253 5.305 1.490 1.00 0.00 C ATOM 443 C TYR A 33 70.318 4.544 0.706 1.00 0.00 C ATOM 444 O TYR A 33 70.057 4.081 -0.405 1.00 0.00 O ATOM 445 CB TYR A 33 68.426 4.334 2.341 1.00 0.00 C ATOM 446 CG TYR A 33 67.021 4.862 2.516 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.807 6.220 2.782 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.930 3.990 2.407 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.502 6.703 2.949 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.627 4.474 2.573 1.00 0.00 C ATOM 451 CZ TYR A 33 64.412 5.831 2.844 1.00 0.00 C ATOM 452 OH TYR A 33 63.124 6.306 2.988 1.00 0.00 O ATOM 0 H TYR A 33 67.520 5.537 0.328 1.00 0.00 H new ATOM 0 HA TYR A 33 69.742 6.019 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.398 3.354 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.897 4.201 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 33 67.647 6.895 2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 33 66.094 2.944 2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 33 65.337 7.749 3.159 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.787 3.800 2.492 1.00 0.00 H new ATOM 0 HH TYR A 33 62.489 5.567 2.884 1.00 0.00 H new ATOM 462 N VAL A 34 71.514 4.425 1.277 1.00 0.00 N ATOM 463 CA VAL A 34 72.620 3.753 0.602 1.00 0.00 C ATOM 464 C VAL A 34 73.090 2.578 1.451 1.00 0.00 C ATOM 465 O VAL A 34 73.210 2.687 2.670 1.00 0.00 O ATOM 466 CB VAL A 34 73.763 4.744 0.356 1.00 0.00 C ATOM 467 CG1 VAL A 34 75.055 4.006 -0.003 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.386 5.677 -0.798 1.00 0.00 C ATOM 0 H VAL A 34 71.741 4.785 2.204 1.00 0.00 H new ATOM 0 HA VAL A 34 72.287 3.375 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 34 73.926 5.317 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.852 4.730 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.335 3.343 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.899 3.419 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.197 6.383 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 34 73.213 5.089 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.479 6.224 -0.542 1.00 0.00 H new ATOM 478 N GLN A 35 73.414 1.472 0.787 1.00 0.00 N ATOM 479 CA GLN A 35 73.864 0.263 1.467 1.00 0.00 C ATOM 480 C GLN A 35 75.186 -0.190 0.856 1.00 0.00 C ATOM 481 O GLN A 35 75.468 0.106 -0.305 1.00 0.00 O ATOM 482 CB GLN A 35 72.837 -0.859 1.291 1.00 0.00 C ATOM 483 CG GLN A 35 71.448 -0.395 1.738 1.00 0.00 C ATOM 484 CD GLN A 35 70.379 -1.321 1.168 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.729 -2.469 0.655 1.00 0.00 O flip ATOM 486 NE2 GLN A 35 69.193 -0.991 1.189 1.00 0.00 N flip ATOM 0 H GLN A 35 73.372 1.389 -0.229 1.00 0.00 H new ATOM 0 HA GLN A 35 73.986 0.480 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.804 -1.168 0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.139 -1.730 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.391 -0.387 2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.272 0.627 1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.920 -0.094 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.483 -1.615 0.805 1.00 0.00 H new ATOM 495 N TRP A 36 76.061 -0.747 1.688 1.00 0.00 N ATOM 496 CA TRP A 36 77.371 -1.202 1.232 1.00 0.00 C ATOM 497 C TRP A 36 77.402 -2.724 1.146 1.00 0.00 C ATOM 498 O TRP A 36 76.868 -3.420 2.009 1.00 0.00 O ATOM 499 CB TRP A 36 78.446 -0.716 2.205 1.00 0.00 C ATOM 500 CG TRP A 36 78.437 0.779 2.241 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.493 1.534 2.846 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.337 1.711 1.572 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.778 2.869 2.630 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.915 3.033 1.866 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.497 1.543 0.798 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.618 4.144 1.389 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.182 2.655 0.290 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.763 3.952 0.609 1.00 0.00 C ATOM 0 H TRP A 36 75.887 -0.894 2.682 1.00 0.00 H new ATOM 0 HA TRP A 36 77.564 -0.792 0.241 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.260 -1.117 3.201 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.426 -1.078 1.894 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.652 1.155 3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.216 3.640 2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.864 0.548 0.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.279 5.143 1.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.039 2.510 -0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.323 4.804 0.253 1.00 0.00 H new ATOM 519 N TYR A 37 78.095 -3.234 0.132 1.00 0.00 N ATOM 520 CA TYR A 37 78.176 -4.669 -0.123 1.00 0.00 C ATOM 521 C TYR A 37 79.635 -5.064 -0.327 1.00 0.00 C ATOM 522 O TYR A 37 80.465 -4.229 -0.684 1.00 0.00 O ATOM 523 CB TYR A 37 77.348 -5.036 -1.359 1.00 0.00 C ATOM 524 CG TYR A 37 75.903 -5.248 -0.975 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.107 -4.151 -0.623 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.369 -6.542 -0.932 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.766 -4.344 -0.271 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.032 -6.736 -0.565 1.00 0.00 C ATOM 529 CZ TYR A 37 73.228 -5.636 -0.243 1.00 0.00 C ATOM 530 OH TYR A 37 71.923 -5.832 0.158 1.00 0.00 O ATOM 0 H TYR A 37 78.616 -2.665 -0.535 1.00 0.00 H new ATOM 0 HA TYR A 37 77.773 -5.211 0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.421 -4.243 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.747 -5.941 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.528 -3.156 -0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.989 -7.390 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.146 -3.496 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.621 -7.734 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 37 71.709 -6.787 0.118 1.00 0.00 H new ATOM 540 N GLN A 38 79.948 -6.327 -0.049 1.00 0.00 N ATOM 541 CA GLN A 38 81.307 -6.837 -0.208 1.00 0.00 C ATOM 542 C GLN A 38 81.265 -8.089 -1.077 1.00 0.00 C ATOM 543 O GLN A 38 80.347 -8.899 -0.957 1.00 0.00 O ATOM 544 CB GLN A 38 81.890 -7.159 1.175 1.00 0.00 C ATOM 545 CG GLN A 38 83.060 -6.232 1.518 1.00 0.00 C ATOM 546 CD GLN A 38 84.283 -6.612 0.691 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.146 -7.143 -0.411 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.471 -6.493 1.214 1.00 0.00 N ATOM 0 H GLN A 38 79.277 -7.017 0.288 1.00 0.00 H new ATOM 0 HA GLN A 38 81.940 -6.091 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.112 -7.060 1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.226 -8.196 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.784 -5.196 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.292 -6.303 2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.584 -6.053 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.287 -6.840 0.710 1.00 0.00 H new ATOM 557 N GLN A 39 82.313 -8.293 -1.872 1.00 0.00 N ATOM 558 CA GLN A 39 82.381 -9.450 -2.760 1.00 0.00 C ATOM 559 C GLN A 39 83.555 -10.340 -2.363 1.00 0.00 C ATOM 560 O GLN A 39 84.701 -10.086 -2.739 1.00 0.00 O ATOM 561 CB GLN A 39 82.530 -8.980 -4.214 1.00 0.00 C ATOM 562 CG GLN A 39 81.652 -9.813 -5.153 1.00 0.00 C ATOM 563 CD GLN A 39 82.116 -9.655 -6.597 1.00 0.00 C ATOM 564 OE1 GLN A 39 82.889 -10.475 -7.091 1.00 0.00 O ATOM 565 NE2 GLN A 39 81.735 -8.616 -7.287 1.00 0.00 N ATOM 0 H GLN A 39 83.123 -7.675 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 39 81.461 -10.028 -2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.254 -7.928 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.573 -9.059 -4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 39 81.694 -10.863 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.612 -9.499 -5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 39 81.094 -7.938 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 39 82.078 -8.482 -8.238 1.00 0.00 H new ATOM 574 N ARG A 40 83.250 -11.384 -1.599 1.00 0.00 N ATOM 575 CA ARG A 40 84.264 -12.330 -1.148 1.00 0.00 C ATOM 576 C ARG A 40 84.360 -13.505 -2.120 1.00 0.00 C ATOM 577 O ARG A 40 83.423 -14.301 -2.198 1.00 0.00 O ATOM 578 CB ARG A 40 83.887 -12.848 0.241 1.00 0.00 C ATOM 579 CG ARG A 40 83.747 -11.661 1.196 1.00 0.00 C ATOM 580 CD ARG A 40 83.142 -12.146 2.514 1.00 0.00 C ATOM 581 NE ARG A 40 82.950 -11.021 3.423 1.00 0.00 N ATOM 582 CZ ARG A 40 83.850 -10.707 4.349 1.00 0.00 C ATOM 583 NH1 ARG A 40 85.107 -10.580 4.023 1.00 0.00 N ATOM 584 NH2 ARG A 40 83.480 -10.581 5.594 1.00 0.00 N ATOM 0 H ARG A 40 82.305 -11.597 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 40 85.230 -11.826 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 40 82.951 -13.405 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 40 84.650 -13.536 0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 40 84.721 -11.206 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 40 83.113 -10.894 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 82.188 -12.638 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 40 83.797 -12.886 2.973 1.00 0.00 H new ATOM 0 HE ARG A 40 82.102 -10.460 3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 40 85.400 -10.722 3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 40 85.797 -10.339 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 40 82.504 -10.723 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 40 84.167 -10.340 6.308 1.00 0.00 H new ATOM 598 N PRO A 41 85.413 -13.636 -2.886 1.00 0.00 N ATOM 599 CA PRO A 41 85.542 -14.794 -3.815 1.00 0.00 C ATOM 600 C PRO A 41 85.415 -16.115 -3.061 1.00 0.00 C ATOM 601 O PRO A 41 86.002 -16.282 -1.991 1.00 0.00 O ATOM 602 CB PRO A 41 86.926 -14.648 -4.463 1.00 0.00 C ATOM 603 CG PRO A 41 87.535 -13.378 -3.956 1.00 0.00 C ATOM 604 CD PRO A 41 86.631 -12.808 -2.858 1.00 0.00 C ATOM 0 HA PRO A 41 84.752 -14.801 -4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.557 -15.501 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 41 86.839 -14.623 -5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.534 -13.568 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 41 87.643 -12.659 -4.768 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.117 -12.857 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.398 -11.760 -3.045 1.00 0.00 H new ATOM 612 N GLY A 42 84.735 -17.083 -3.667 1.00 0.00 N ATOM 613 CA GLY A 42 84.568 -18.396 -3.051 1.00 0.00 C ATOM 614 C GLY A 42 83.306 -18.436 -2.195 1.00 0.00 C ATOM 615 O GLY A 42 82.791 -19.508 -1.879 1.00 0.00 O ATOM 0 H GLY A 42 84.292 -16.985 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.512 -19.161 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.438 -18.627 -2.436 1.00 0.00 H new ATOM 619 N SER A 43 82.820 -17.257 -1.816 1.00 0.00 N ATOM 620 CA SER A 43 81.642 -17.151 -0.962 1.00 0.00 C ATOM 621 C SER A 43 80.740 -16.021 -1.444 1.00 0.00 C ATOM 622 O SER A 43 81.175 -15.142 -2.190 1.00 0.00 O ATOM 623 CB SER A 43 82.068 -16.876 0.481 1.00 0.00 C ATOM 624 OG SER A 43 82.921 -15.742 0.510 1.00 0.00 O ATOM 0 H SER A 43 83.225 -16.361 -2.088 1.00 0.00 H new ATOM 0 HA SER A 43 81.094 -18.092 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 43 81.191 -16.702 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.584 -17.744 0.892 1.00 0.00 H new ATOM 0 HG SER A 43 83.019 -15.383 -0.397 1.00 0.00 H new ATOM 630 N SER A 44 79.475 -16.069 -1.041 1.00 0.00 N ATOM 631 CA SER A 44 78.517 -15.070 -1.497 1.00 0.00 C ATOM 632 C SER A 44 78.909 -13.692 -0.967 1.00 0.00 C ATOM 633 O SER A 44 79.783 -13.595 -0.104 1.00 0.00 O ATOM 634 CB SER A 44 77.107 -15.451 -1.032 1.00 0.00 C ATOM 635 OG SER A 44 77.050 -16.855 -0.830 1.00 0.00 O ATOM 0 H SER A 44 79.094 -16.775 -0.411 1.00 0.00 H new ATOM 0 HA SER A 44 78.524 -15.034 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.861 -14.928 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.370 -15.148 -1.776 1.00 0.00 H new ATOM 0 HG SER A 44 76.151 -17.106 -0.531 1.00 0.00 H new ATOM 641 N PRO A 45 78.246 -12.645 -1.385 1.00 0.00 N ATOM 642 CA PRO A 45 78.509 -11.280 -0.847 1.00 0.00 C ATOM 643 C PRO A 45 77.975 -11.121 0.575 1.00 0.00 C ATOM 644 O PRO A 45 76.995 -11.764 0.953 1.00 0.00 O ATOM 645 CB PRO A 45 77.799 -10.333 -1.826 1.00 0.00 C ATOM 646 CG PRO A 45 77.194 -11.187 -2.896 1.00 0.00 C ATOM 647 CD PRO A 45 77.149 -12.622 -2.366 1.00 0.00 C ATOM 0 HA PRO A 45 79.576 -11.069 -0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 45 77.031 -9.754 -1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.504 -9.620 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 45 76.192 -10.838 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.786 -11.134 -3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.189 -12.852 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.303 -13.351 -3.161 1.00 0.00 H new ATOM 655 N THR A 46 78.549 -10.178 1.317 1.00 0.00 N ATOM 656 CA THR A 46 78.066 -9.859 2.658 1.00 0.00 C ATOM 657 C THR A 46 77.843 -8.358 2.810 1.00 0.00 C ATOM 658 O THR A 46 78.781 -7.569 2.697 1.00 0.00 O ATOM 659 CB THR A 46 79.089 -10.322 3.699 1.00 0.00 C ATOM 660 OG1 THR A 46 79.406 -11.684 3.453 1.00 0.00 O ATOM 661 CG2 THR A 46 78.530 -10.189 5.121 1.00 0.00 C ATOM 0 H THR A 46 79.348 -9.622 1.013 1.00 0.00 H new ATOM 0 HA THR A 46 77.118 -10.374 2.812 1.00 0.00 H new ATOM 0 HB THR A 46 79.978 -9.696 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.062 -11.991 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.278 -10.525 5.839 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.281 -9.146 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.633 -10.801 5.218 1.00 0.00 H new ATOM 669 N THR A 47 76.618 -7.978 3.160 1.00 0.00 N ATOM 670 CA THR A 47 76.299 -6.574 3.389 1.00 0.00 C ATOM 671 C THR A 47 77.142 -6.016 4.531 1.00 0.00 C ATOM 672 O THR A 47 77.067 -6.504 5.659 1.00 0.00 O ATOM 673 CB THR A 47 74.808 -6.427 3.708 1.00 0.00 C ATOM 674 OG1 THR A 47 74.049 -7.041 2.678 1.00 0.00 O ATOM 675 CG2 THR A 47 74.403 -4.952 3.802 1.00 0.00 C ATOM 0 H THR A 47 75.835 -8.618 3.290 1.00 0.00 H new ATOM 0 HA THR A 47 76.527 -6.008 2.486 1.00 0.00 H new ATOM 0 HB THR A 47 74.616 -6.905 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 47 74.226 -6.589 1.827 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.339 -4.881 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.976 -4.467 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.605 -4.458 2.852 1.00 0.00 H new ATOM 683 N VAL A 48 77.810 -4.894 4.283 1.00 0.00 N ATOM 684 CA VAL A 48 78.705 -4.327 5.289 1.00 0.00 C ATOM 685 C VAL A 48 77.980 -3.268 6.113 1.00 0.00 C ATOM 686 O VAL A 48 78.082 -3.270 7.340 1.00 0.00 O ATOM 687 CB VAL A 48 79.903 -3.666 4.602 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.943 -3.251 5.646 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.540 -4.643 3.611 1.00 0.00 C ATOM 0 H VAL A 48 77.752 -4.367 3.412 1.00 0.00 H new ATOM 0 HA VAL A 48 79.039 -5.134 5.942 1.00 0.00 H new ATOM 0 HB VAL A 48 79.557 -2.782 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.791 -2.782 5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.495 -2.544 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.284 -4.132 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.392 -4.166 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.877 -5.533 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.806 -4.927 2.857 1.00 0.00 H new ATOM 699 N ILE A 49 77.081 -2.523 5.477 1.00 0.00 N ATOM 700 CA ILE A 49 76.288 -1.522 6.184 1.00 0.00 C ATOM 701 C ILE A 49 74.876 -1.501 5.610 1.00 0.00 C ATOM 702 O ILE A 49 74.653 -1.925 4.476 1.00 0.00 O ATOM 703 CB ILE A 49 76.981 -0.154 6.082 1.00 0.00 C ATOM 704 CG1 ILE A 49 77.973 -0.008 7.241 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.992 1.017 6.108 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.702 1.335 7.161 1.00 0.00 C ATOM 0 H ILE A 49 76.884 -2.592 4.479 1.00 0.00 H new ATOM 0 HA ILE A 49 76.211 -1.771 7.242 1.00 0.00 H new ATOM 0 HB ILE A 49 77.495 -0.119 5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.444 -0.085 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.696 -0.823 7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.539 1.957 6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.303 0.930 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.430 0.998 7.042 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.402 1.419 7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.248 1.397 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 49 77.976 2.147 7.214 1.00 0.00 H new ATOM 718 N TYR A 50 74.004 -0.767 6.295 1.00 0.00 N ATOM 719 CA TYR A 50 72.646 -0.553 5.806 1.00 0.00 C ATOM 720 C TYR A 50 72.256 0.912 5.975 1.00 0.00 C ATOM 721 O TYR A 50 72.338 1.472 7.067 1.00 0.00 O ATOM 722 CB TYR A 50 71.706 -1.480 6.590 1.00 0.00 C ATOM 723 CG TYR A 50 70.701 -2.133 5.669 1.00 0.00 C ATOM 724 CD1 TYR A 50 71.147 -2.999 4.664 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.332 -1.884 5.823 1.00 0.00 C ATOM 726 CE1 TYR A 50 70.223 -3.635 3.827 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.410 -2.512 4.978 1.00 0.00 C ATOM 728 CZ TYR A 50 68.855 -3.381 3.975 1.00 0.00 C ATOM 729 OH TYR A 50 67.948 -3.996 3.135 1.00 0.00 O ATOM 0 H TYR A 50 74.211 -0.313 7.185 1.00 0.00 H new ATOM 0 HA TYR A 50 72.576 -0.786 4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.288 -2.246 7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.184 -0.910 7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 50 72.204 -3.177 4.534 1.00 0.00 H new ATOM 0 HD2 TYR A 50 68.988 -1.209 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.566 -4.322 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.353 -2.326 5.100 1.00 0.00 H new ATOM 0 HH TYR A 50 67.040 -3.714 3.371 1.00 0.00 H new ATOM 739 N GLU A 51 71.698 1.468 4.903 1.00 0.00 N ATOM 740 CA GLU A 51 71.146 2.818 4.923 1.00 0.00 C ATOM 741 C GLU A 51 72.210 3.850 5.288 1.00 0.00 C ATOM 742 O GLU A 51 71.890 4.957 5.722 1.00 0.00 O ATOM 743 CB GLU A 51 69.995 2.922 5.922 1.00 0.00 C ATOM 744 CG GLU A 51 68.910 1.905 5.563 1.00 0.00 C ATOM 745 CD GLU A 51 67.693 2.115 6.458 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.575 3.192 7.019 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.855 1.229 6.502 1.00 0.00 O ATOM 0 H GLU A 51 71.616 0.998 4.001 1.00 0.00 H new ATOM 0 HA GLU A 51 70.778 3.025 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.360 2.738 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.581 3.930 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.627 2.015 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 51 69.293 0.892 5.685 1.00 0.00 H new ATOM 754 N ASP A 52 73.474 3.489 5.092 1.00 0.00 N ATOM 755 CA ASP A 52 74.572 4.403 5.383 1.00 0.00 C ATOM 756 C ASP A 52 74.374 5.038 6.757 1.00 0.00 C ATOM 757 O ASP A 52 74.990 6.058 7.066 1.00 0.00 O ATOM 758 CB ASP A 52 74.667 5.470 4.290 1.00 0.00 C ATOM 759 CG ASP A 52 76.052 5.503 3.646 1.00 0.00 C ATOM 760 OD1 ASP A 52 77.021 5.319 4.366 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.120 5.630 2.435 1.00 0.00 O ATOM 0 H ASP A 52 73.762 2.578 4.736 1.00 0.00 H new ATOM 0 HA ASP A 52 75.510 3.847 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.915 5.274 3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.441 6.448 4.716 1.00 0.00 H new ATOM 766 N ASN A 53 73.537 4.421 7.585 1.00 0.00 N ATOM 767 CA ASN A 53 73.254 4.940 8.921 1.00 0.00 C ATOM 768 C ASN A 53 73.818 4.011 9.991 1.00 0.00 C ATOM 769 O ASN A 53 74.262 4.462 11.047 1.00 0.00 O ATOM 770 CB ASN A 53 71.744 5.106 9.103 1.00 0.00 C ATOM 771 CG ASN A 53 71.255 6.317 8.315 1.00 0.00 C ATOM 772 OD1 ASN A 53 72.076 6.931 7.507 1.00 0.00 O flip ATOM 773 ND2 ASN A 53 70.091 6.702 8.422 1.00 0.00 N flip ATOM 0 H ASN A 53 73.042 3.560 7.355 1.00 0.00 H new ATOM 0 HA ASN A 53 73.735 5.912 9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.227 4.208 8.764 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.508 5.230 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 53 69.451 6.221 9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 53 69.766 7.502 7.879 1.00 0.00 H new ATOM 780 N GLN A 54 73.780 2.711 9.721 1.00 0.00 N ATOM 781 CA GLN A 54 74.262 1.731 10.686 1.00 0.00 C ATOM 782 C GLN A 54 74.352 0.350 10.046 1.00 0.00 C ATOM 783 O GLN A 54 74.152 0.200 8.840 1.00 0.00 O ATOM 784 CB GLN A 54 73.329 1.685 11.900 1.00 0.00 C ATOM 785 CG GLN A 54 71.868 1.754 11.443 1.00 0.00 C ATOM 786 CD GLN A 54 70.951 1.174 12.516 1.00 0.00 C ATOM 787 OE1 GLN A 54 70.095 1.880 13.049 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.091 -0.071 12.879 1.00 0.00 N ATOM 0 H GLN A 54 73.424 2.315 8.851 1.00 0.00 H new ATOM 0 HA GLN A 54 75.258 2.029 11.013 1.00 0.00 H new ATOM 0 HB2 GLN A 54 73.499 0.768 12.465 1.00 0.00 H new ATOM 0 HB3 GLN A 54 73.549 2.517 12.569 1.00 0.00 H new ATOM 0 HG2 GLN A 54 71.592 2.789 11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 54 71.744 1.202 10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.801 -0.655 12.436 1.00 0.00 H new ATOM 0 HE22 GLN A 54 70.491 -0.461 13.606 1.00 0.00 H new ATOM 797 N ARG A 55 74.581 -0.664 10.874 1.00 0.00 N ATOM 798 CA ARG A 55 74.686 -2.042 10.400 1.00 0.00 C ATOM 799 C ARG A 55 73.924 -2.968 11.344 1.00 0.00 C ATOM 800 O ARG A 55 73.843 -2.689 12.540 1.00 0.00 O ATOM 801 CB ARG A 55 76.162 -2.447 10.342 1.00 0.00 C ATOM 802 CG ARG A 55 76.745 -2.499 11.757 1.00 0.00 C ATOM 803 CD ARG A 55 78.256 -2.737 11.692 1.00 0.00 C ATOM 804 NE ARG A 55 78.765 -3.249 12.961 1.00 0.00 N ATOM 805 CZ ARG A 55 78.213 -2.919 14.125 1.00 0.00 C ATOM 806 NH1 ARG A 55 78.163 -1.667 14.490 1.00 0.00 N ATOM 807 NH2 ARG A 55 77.622 -3.832 14.847 1.00 0.00 N ATOM 0 H ARG A 55 74.698 -0.558 11.882 1.00 0.00 H new ATOM 0 HA ARG A 55 74.253 -2.121 9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.262 -3.421 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.720 -1.734 9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.538 -1.565 12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.267 -3.296 12.327 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.481 -3.445 10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.763 -1.805 11.443 1.00 0.00 H new ATOM 0 HE ARG A 55 79.568 -3.878 12.955 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.547 -0.943 13.883 1.00 0.00 H new ATOM 0 HH12 ARG A 55 77.740 -1.412 15.383 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.584 -4.797 14.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.198 -3.581 15.740 1.00 0.00 H new ATOM 821 N PRO A 56 73.509 -4.126 10.899 1.00 0.00 N ATOM 822 CA PRO A 56 72.733 -5.056 11.769 1.00 0.00 C ATOM 823 C PRO A 56 73.500 -5.382 13.049 1.00 0.00 C ATOM 824 O PRO A 56 74.688 -5.075 13.152 1.00 0.00 O ATOM 825 CB PRO A 56 72.508 -6.306 10.905 1.00 0.00 C ATOM 826 CG PRO A 56 73.215 -6.065 9.608 1.00 0.00 C ATOM 827 CD PRO A 56 73.442 -4.557 9.492 1.00 0.00 C ATOM 0 HA PRO A 56 71.790 -4.622 12.100 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.900 -7.194 11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.444 -6.476 10.740 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.164 -6.600 9.582 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.620 -6.430 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.362 -4.327 8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.629 -4.066 8.957 1.00 0.00 H new ATOM 835 N SER A 57 72.773 -5.765 14.092 1.00 0.00 N ATOM 836 CA SER A 57 73.415 -6.136 15.347 1.00 0.00 C ATOM 837 C SER A 57 74.142 -7.467 15.189 1.00 0.00 C ATOM 838 O SER A 57 73.534 -8.474 14.827 1.00 0.00 O ATOM 839 CB SER A 57 72.375 -6.203 16.470 1.00 0.00 C ATOM 840 OG SER A 57 72.549 -5.087 17.333 1.00 0.00 O ATOM 0 H SER A 57 71.755 -5.826 14.095 1.00 0.00 H new ATOM 0 HA SER A 57 74.151 -5.377 15.612 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.369 -6.201 16.051 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.485 -7.132 17.030 1.00 0.00 H new ATOM 0 HG SER A 57 71.885 -5.123 18.053 1.00 0.00 H new ATOM 846 N GLY A 58 75.380 -7.506 15.675 1.00 0.00 N ATOM 847 CA GLY A 58 76.155 -8.741 15.704 1.00 0.00 C ATOM 848 C GLY A 58 77.344 -8.670 14.749 1.00 0.00 C ATOM 849 O GLY A 58 78.406 -9.219 15.043 1.00 0.00 O ATOM 0 H GLY A 58 75.868 -6.694 16.054 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.510 -8.927 16.718 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.516 -9.581 15.431 1.00 0.00 H new ATOM 853 N VAL A 59 77.194 -7.949 13.641 1.00 0.00 N ATOM 854 CA VAL A 59 78.291 -7.832 12.685 1.00 0.00 C ATOM 855 C VAL A 59 79.340 -6.847 13.199 1.00 0.00 C ATOM 856 O VAL A 59 78.988 -5.835 13.807 1.00 0.00 O ATOM 857 CB VAL A 59 77.763 -7.363 11.326 1.00 0.00 C ATOM 858 CG1 VAL A 59 77.049 -8.519 10.620 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.792 -6.193 11.517 1.00 0.00 C ATOM 0 H VAL A 59 76.343 -7.447 13.386 1.00 0.00 H new ATOM 0 HA VAL A 59 78.752 -8.813 12.568 1.00 0.00 H new ATOM 0 HB VAL A 59 78.602 -7.032 10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.675 -8.180 9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.748 -9.342 10.470 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.214 -8.860 11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.421 -5.866 10.546 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.954 -6.513 12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.309 -5.367 12.005 1.00 0.00 H new ATOM 869 N PRO A 60 80.591 -7.024 12.857 1.00 0.00 N ATOM 870 CA PRO A 60 81.666 -6.125 13.364 1.00 0.00 C ATOM 871 C PRO A 60 81.442 -4.686 12.907 1.00 0.00 C ATOM 872 O PRO A 60 80.719 -4.443 11.941 1.00 0.00 O ATOM 873 CB PRO A 60 82.971 -6.700 12.793 1.00 0.00 C ATOM 874 CG PRO A 60 82.616 -7.898 11.967 1.00 0.00 C ATOM 875 CD PRO A 60 81.146 -8.233 12.226 1.00 0.00 C ATOM 0 HA PRO A 60 81.686 -6.088 14.453 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.484 -5.955 12.185 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.651 -6.978 13.598 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.779 -7.693 10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 60 83.251 -8.744 12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.625 -8.470 11.298 1.00 0.00 H new ATOM 0 HD3 PRO A 60 81.047 -9.101 12.878 1.00 0.00 H new ATOM 883 N ASP A 61 82.001 -3.731 13.646 1.00 0.00 N ATOM 884 CA ASP A 61 81.851 -2.316 13.319 1.00 0.00 C ATOM 885 C ASP A 61 83.098 -1.791 12.613 1.00 0.00 C ATOM 886 O ASP A 61 83.302 -0.581 12.513 1.00 0.00 O ATOM 887 CB ASP A 61 81.593 -1.517 14.601 1.00 0.00 C ATOM 888 CG ASP A 61 82.408 -2.104 15.749 1.00 0.00 C ATOM 889 OD1 ASP A 61 83.624 -2.018 15.692 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.803 -2.649 16.659 1.00 0.00 O ATOM 0 H ASP A 61 82.563 -3.912 14.477 1.00 0.00 H new ATOM 0 HA ASP A 61 81.003 -2.199 12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.862 -0.472 14.449 1.00 0.00 H new ATOM 0 HB3 ASP A 61 80.531 -1.540 14.847 1.00 0.00 H new ATOM 895 N ARG A 62 83.913 -2.704 12.096 1.00 0.00 N ATOM 896 CA ARG A 62 85.130 -2.310 11.399 1.00 0.00 C ATOM 897 C ARG A 62 84.801 -1.403 10.218 1.00 0.00 C ATOM 898 O ARG A 62 85.698 -0.920 9.528 1.00 0.00 O ATOM 899 CB ARG A 62 85.876 -3.551 10.905 1.00 0.00 C ATOM 900 CG ARG A 62 86.290 -4.404 12.107 1.00 0.00 C ATOM 901 CD ARG A 62 87.136 -5.588 11.632 1.00 0.00 C ATOM 902 NE ARG A 62 88.185 -5.124 10.730 1.00 0.00 N ATOM 903 CZ ARG A 62 88.321 -5.610 9.499 1.00 0.00 C ATOM 904 NH1 ARG A 62 88.266 -6.898 9.298 1.00 0.00 N ATOM 905 NH2 ARG A 62 88.472 -4.793 8.493 1.00 0.00 N ATOM 0 H ARG A 62 83.755 -3.711 12.146 1.00 0.00 H new ATOM 0 HA ARG A 62 85.764 -1.762 12.096 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.239 -4.130 10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.756 -3.257 10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.857 -3.800 12.816 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.405 -4.764 12.632 1.00 0.00 H new ATOM 0 HD2 ARG A 62 87.580 -6.095 12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 62 86.504 -6.316 11.123 1.00 0.00 H new ATOM 0 HE ARG A 62 88.833 -4.406 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 62 88.119 -7.531 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 62 88.370 -7.272 8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 62 88.485 -3.786 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 62 88.577 -5.162 7.548 1.00 0.00 H new ATOM 919 N PHE A 63 83.509 -1.238 9.944 1.00 0.00 N ATOM 920 CA PHE A 63 83.048 -0.421 8.824 1.00 0.00 C ATOM 921 C PHE A 63 82.186 0.728 9.335 1.00 0.00 C ATOM 922 O PHE A 63 81.502 0.594 10.350 1.00 0.00 O ATOM 923 CB PHE A 63 82.259 -1.279 7.827 1.00 0.00 C ATOM 924 CG PHE A 63 82.713 -2.716 7.918 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.189 -3.533 8.926 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.698 -3.211 7.054 1.00 0.00 C ATOM 927 CE1 PHE A 63 82.602 -4.867 9.031 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.145 -4.531 7.189 1.00 0.00 C ATOM 929 CZ PHE A 63 83.567 -5.369 8.150 1.00 0.00 C ATOM 0 H PHE A 63 82.757 -1.663 10.487 1.00 0.00 H new ATOM 0 HA PHE A 63 83.916 -0.007 8.311 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.192 -1.211 8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.407 -0.905 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.466 -3.135 9.623 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.112 -2.576 6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 63 82.177 -5.507 9.790 1.00 0.00 H new ATOM 0 HE2 PHE A 63 84.935 -4.902 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.866 -6.405 8.212 1.00 0.00 H new ATOM 939 N SER A 64 82.190 1.840 8.605 1.00 0.00 N ATOM 940 CA SER A 64 81.355 2.977 8.979 1.00 0.00 C ATOM 941 C SER A 64 80.887 3.713 7.729 1.00 0.00 C ATOM 942 O SER A 64 81.710 4.197 6.958 1.00 0.00 O ATOM 943 CB SER A 64 82.146 3.915 9.898 1.00 0.00 C ATOM 944 OG SER A 64 81.297 4.376 10.939 1.00 0.00 O ATOM 0 H SER A 64 82.752 1.978 7.765 1.00 0.00 H new ATOM 0 HA SER A 64 80.476 2.622 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 64 83.005 3.392 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.534 4.759 9.328 1.00 0.00 H new ATOM 0 HG SER A 64 81.800 4.975 11.530 1.00 0.00 H new ATOM 950 N GLY A 65 79.578 3.898 7.597 1.00 0.00 N ATOM 951 CA GLY A 65 79.011 4.558 6.427 1.00 0.00 C ATOM 952 C GLY A 65 78.707 6.017 6.742 1.00 0.00 C ATOM 953 O GLY A 65 78.275 6.346 7.847 1.00 0.00 O ATOM 0 H GLY A 65 78.889 3.600 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.709 4.496 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.099 4.047 6.119 1.00 0.00 H new ATOM 957 N SER A 66 78.924 6.886 5.760 1.00 0.00 N ATOM 958 CA SER A 66 78.641 8.309 5.921 1.00 0.00 C ATOM 959 C SER A 66 78.050 8.869 4.632 1.00 0.00 C ATOM 960 O SER A 66 78.158 8.253 3.571 1.00 0.00 O ATOM 961 CB SER A 66 79.932 9.063 6.257 1.00 0.00 C ATOM 962 OG SER A 66 80.600 9.431 5.058 1.00 0.00 O ATOM 0 H SER A 66 79.295 6.631 4.845 1.00 0.00 H new ATOM 0 HA SER A 66 77.925 8.436 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.702 9.952 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.581 8.436 6.868 1.00 0.00 H new ATOM 0 HG SER A 66 81.044 8.645 4.676 1.00 0.00 H new ATOM 968 N ILE A 67 77.417 10.034 4.732 1.00 0.00 N ATOM 969 CA ILE A 67 76.758 10.645 3.584 1.00 0.00 C ATOM 970 C ILE A 67 77.012 12.148 3.562 1.00 0.00 C ATOM 971 O ILE A 67 77.086 12.794 4.607 1.00 0.00 O ATOM 972 CB ILE A 67 75.254 10.364 3.625 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.563 11.154 4.742 1.00 0.00 C ATOM 974 CG2 ILE A 67 75.033 8.866 3.836 1.00 0.00 C ATOM 975 CD1 ILE A 67 75.197 10.874 6.107 1.00 0.00 C ATOM 0 H ILE A 67 77.347 10.573 5.595 1.00 0.00 H new ATOM 0 HA ILE A 67 77.172 10.209 2.675 1.00 0.00 H new ATOM 0 HB ILE A 67 74.817 10.681 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.623 12.220 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 67 73.505 10.894 4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.964 8.657 3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.488 8.312 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.490 8.560 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 67 74.681 11.452 6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 67 75.114 9.812 6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 67 76.249 11.159 6.085 1.00 0.00 H new ATOM 987 N ASP A 68 77.147 12.705 2.361 1.00 0.00 N ATOM 988 CA ASP A 68 77.404 14.134 2.205 1.00 0.00 C ATOM 989 C ASP A 68 76.333 14.768 1.324 1.00 0.00 C ATOM 990 O ASP A 68 76.539 14.957 0.126 1.00 0.00 O ATOM 991 CB ASP A 68 78.775 14.340 1.558 1.00 0.00 C ATOM 992 CG ASP A 68 79.846 13.617 2.368 1.00 0.00 C ATOM 993 OD1 ASP A 68 80.067 14.004 3.504 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.399 12.659 1.856 1.00 0.00 O ATOM 0 H ASP A 68 77.083 12.190 1.483 1.00 0.00 H new ATOM 0 HA ASP A 68 77.384 14.605 3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.764 13.963 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.005 15.404 1.503 1.00 0.00 H new ATOM 999 N SER A 69 75.180 15.065 1.913 1.00 0.00 N ATOM 1000 CA SER A 69 74.080 15.644 1.152 1.00 0.00 C ATOM 1001 C SER A 69 74.537 16.911 0.438 1.00 0.00 C ATOM 1002 O SER A 69 74.168 17.161 -0.708 1.00 0.00 O ATOM 1003 CB SER A 69 72.915 15.985 2.085 1.00 0.00 C ATOM 1004 OG SER A 69 73.201 17.197 2.769 1.00 0.00 O ATOM 0 H SER A 69 74.984 14.917 2.903 1.00 0.00 H new ATOM 0 HA SER A 69 73.753 14.912 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.993 16.086 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.759 15.178 2.801 1.00 0.00 H new ATOM 0 HG SER A 69 72.456 17.419 3.366 1.00 0.00 H new ATOM 1010 N SER A 70 75.335 17.708 1.136 1.00 0.00 N ATOM 1011 CA SER A 70 75.869 18.934 0.559 1.00 0.00 C ATOM 1012 C SER A 70 76.683 18.632 -0.695 1.00 0.00 C ATOM 1013 O SER A 70 76.508 19.272 -1.731 1.00 0.00 O ATOM 1014 CB SER A 70 76.787 19.597 1.584 1.00 0.00 C ATOM 1015 OG SER A 70 76.084 19.779 2.804 1.00 0.00 O ATOM 0 H SER A 70 75.625 17.529 2.097 1.00 0.00 H new ATOM 0 HA SER A 70 75.039 19.589 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.670 18.980 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.136 20.558 1.207 1.00 0.00 H new ATOM 0 HG SER A 70 76.674 20.203 3.462 1.00 0.00 H new ATOM 1021 N SER A 71 77.616 17.693 -0.568 1.00 0.00 N ATOM 1022 CA SER A 71 78.492 17.343 -1.679 1.00 0.00 C ATOM 1023 C SER A 71 77.816 16.312 -2.577 1.00 0.00 C ATOM 1024 O SER A 71 78.283 16.037 -3.682 1.00 0.00 O ATOM 1025 CB SER A 71 79.801 16.760 -1.142 1.00 0.00 C ATOM 1026 OG SER A 71 80.739 16.651 -2.203 1.00 0.00 O ATOM 0 H SER A 71 77.784 17.164 0.288 1.00 0.00 H new ATOM 0 HA SER A 71 78.700 18.243 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.200 17.398 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.621 15.781 -0.699 1.00 0.00 H new ATOM 0 HG SER A 71 80.277 16.370 -3.020 1.00 0.00 H new ATOM 1032 N ASN A 72 76.690 15.780 -2.112 1.00 0.00 N ATOM 1033 CA ASN A 72 75.954 14.792 -2.894 1.00 0.00 C ATOM 1034 C ASN A 72 76.805 13.553 -3.156 1.00 0.00 C ATOM 1035 O ASN A 72 76.941 13.126 -4.302 1.00 0.00 O ATOM 1036 CB ASN A 72 75.515 15.399 -4.229 1.00 0.00 C ATOM 1037 CG ASN A 72 74.395 14.569 -4.850 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.299 15.081 -5.072 1.00 0.00 O ATOM 1039 ND2 ASN A 72 74.589 13.305 -5.116 1.00 0.00 N ATOM 0 H ASN A 72 76.272 16.012 -1.211 1.00 0.00 H new ATOM 0 HA ASN A 72 75.076 14.496 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.175 16.423 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.364 15.444 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 72 73.832 12.744 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.497 12.879 -4.933 1.00 0.00 H new ATOM 1046 N SER A 73 77.547 13.111 -2.145 1.00 0.00 N ATOM 1047 CA SER A 73 78.416 11.947 -2.297 1.00 0.00 C ATOM 1048 C SER A 73 78.427 11.114 -1.020 1.00 0.00 C ATOM 1049 O SER A 73 78.190 11.633 0.070 1.00 0.00 O ATOM 1050 CB SER A 73 79.842 12.398 -2.623 1.00 0.00 C ATOM 1051 OG SER A 73 80.521 12.744 -1.424 1.00 0.00 O ATOM 0 H SER A 73 77.565 13.537 -1.218 1.00 0.00 H new ATOM 0 HA SER A 73 78.031 11.336 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.377 11.600 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.818 13.253 -3.298 1.00 0.00 H new ATOM 0 HG SER A 73 81.434 13.031 -1.636 1.00 0.00 H new ATOM 1057 N ALA A 74 78.776 9.839 -1.155 1.00 0.00 N ATOM 1058 CA ALA A 74 78.786 8.925 -0.017 1.00 0.00 C ATOM 1059 C ALA A 74 80.219 8.507 0.289 1.00 0.00 C ATOM 1060 O ALA A 74 81.053 8.418 -0.612 1.00 0.00 O ATOM 1061 CB ALA A 74 77.956 7.679 -0.335 1.00 0.00 C ATOM 0 H ALA A 74 79.055 9.415 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 74 78.356 9.433 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.970 7.004 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.928 7.971 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.378 7.173 -1.203 1.00 0.00 H new ATOM 1067 N SER A 75 80.512 8.310 1.571 1.00 0.00 N ATOM 1068 CA SER A 75 81.857 7.919 1.986 1.00 0.00 C ATOM 1069 C SER A 75 81.792 7.015 3.213 1.00 0.00 C ATOM 1070 O SER A 75 81.075 7.314 4.169 1.00 0.00 O ATOM 1071 CB SER A 75 82.682 9.172 2.303 1.00 0.00 C ATOM 1072 OG SER A 75 82.104 10.289 1.643 1.00 0.00 O ATOM 0 H SER A 75 79.844 8.413 2.335 1.00 0.00 H new ATOM 0 HA SER A 75 82.332 7.369 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.707 9.343 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.713 9.035 1.978 1.00 0.00 H new ATOM 0 HG SER A 75 81.535 10.781 2.271 1.00 0.00 H new ATOM 1078 N LEU A 76 82.486 5.880 3.160 1.00 0.00 N ATOM 1079 CA LEU A 76 82.547 4.958 4.288 1.00 0.00 C ATOM 1080 C LEU A 76 83.933 5.009 4.926 1.00 0.00 C ATOM 1081 O LEU A 76 84.944 5.136 4.234 1.00 0.00 O ATOM 1082 CB LEU A 76 82.146 3.546 3.844 1.00 0.00 C ATOM 1083 CG LEU A 76 82.927 2.458 4.588 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.215 1.113 4.417 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.375 2.382 4.087 1.00 0.00 C ATOM 0 H LEU A 76 83.016 5.577 2.343 1.00 0.00 H new ATOM 0 HA LEU A 76 81.831 5.260 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.079 3.404 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.315 3.443 2.772 1.00 0.00 H new ATOM 0 HG LEU A 76 82.962 2.708 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.770 0.338 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.207 1.181 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.161 0.862 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 76 84.908 1.602 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.380 2.150 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.868 3.340 4.251 1.00 0.00 H new ATOM 1097 N THR A 77 83.959 4.989 6.254 1.00 0.00 N ATOM 1098 CA THR A 77 85.212 4.922 7.001 1.00 0.00 C ATOM 1099 C THR A 77 85.338 3.580 7.715 1.00 0.00 C ATOM 1100 O THR A 77 84.470 3.190 8.496 1.00 0.00 O ATOM 1101 CB THR A 77 85.260 6.046 8.040 1.00 0.00 C ATOM 1102 OG1 THR A 77 85.238 7.298 7.372 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.537 5.935 8.881 1.00 0.00 C ATOM 0 H THR A 77 83.124 5.018 6.838 1.00 0.00 H new ATOM 0 HA THR A 77 86.037 5.033 6.297 1.00 0.00 H new ATOM 0 HB THR A 77 84.396 5.963 8.700 1.00 0.00 H new ATOM 0 HG1 THR A 77 85.267 8.022 8.032 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.560 6.740 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.552 4.974 9.395 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.409 6.013 8.231 1.00 0.00 H new ATOM 1111 N ILE A 78 86.431 2.875 7.440 1.00 0.00 N ATOM 1112 CA ILE A 78 86.701 1.574 8.046 1.00 0.00 C ATOM 1113 C ILE A 78 87.853 1.716 9.036 1.00 0.00 C ATOM 1114 O ILE A 78 88.886 2.295 8.704 1.00 0.00 O ATOM 1115 CB ILE A 78 87.054 0.590 6.924 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.795 -0.093 6.379 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.049 -0.480 7.386 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.065 -0.676 4.990 1.00 0.00 C ATOM 0 H ILE A 78 87.154 3.188 6.792 1.00 0.00 H new ATOM 0 HA ILE A 78 85.831 1.202 8.587 1.00 0.00 H new ATOM 0 HB ILE A 78 87.523 1.176 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.480 -0.885 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 78 84.977 0.626 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.269 -1.154 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 78 88.970 -0.001 7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.617 -1.047 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.162 -1.158 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.358 0.124 4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.868 -1.410 5.053 1.00 0.00 H new ATOM 1130 N SER A 79 87.765 0.991 10.147 1.00 0.00 N ATOM 1131 CA SER A 79 88.817 1.016 11.158 1.00 0.00 C ATOM 1132 C SER A 79 89.294 -0.396 11.478 1.00 0.00 C ATOM 1133 O SER A 79 88.490 -1.311 11.662 1.00 0.00 O ATOM 1134 CB SER A 79 88.310 1.688 12.435 1.00 0.00 C ATOM 1135 OG SER A 79 88.055 3.060 12.178 1.00 0.00 O ATOM 0 H SER A 79 86.979 0.381 10.370 1.00 0.00 H new ATOM 0 HA SER A 79 89.655 1.587 10.759 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.401 1.197 12.781 1.00 0.00 H new ATOM 0 HB3 SER A 79 89.049 1.587 13.230 1.00 0.00 H new ATOM 0 HG SER A 79 87.728 3.491 12.995 1.00 0.00 H new ATOM 1141 N GLY A 80 90.611 -0.553 11.578 1.00 0.00 N ATOM 1142 CA GLY A 80 91.199 -1.856 11.866 1.00 0.00 C ATOM 1143 C GLY A 80 91.049 -2.805 10.682 1.00 0.00 C ATOM 1144 O GLY A 80 90.457 -3.878 10.804 1.00 0.00 O ATOM 0 H GLY A 80 91.288 0.202 11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.255 -1.736 12.107 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.719 -2.288 12.744 1.00 0.00 H new ATOM 1148 N LEU A 81 91.607 -2.413 9.541 1.00 0.00 N ATOM 1149 CA LEU A 81 91.555 -3.252 8.349 1.00 0.00 C ATOM 1150 C LEU A 81 92.460 -4.469 8.514 1.00 0.00 C ATOM 1151 O LEU A 81 93.546 -4.369 9.086 1.00 0.00 O ATOM 1152 CB LEU A 81 91.959 -2.428 7.122 1.00 0.00 C ATOM 1153 CG LEU A 81 93.482 -2.215 7.066 1.00 0.00 C ATOM 1154 CD1 LEU A 81 94.178 -3.301 6.232 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.814 -0.849 6.455 1.00 0.00 C ATOM 0 H LEU A 81 92.097 -1.527 9.417 1.00 0.00 H new ATOM 0 HA LEU A 81 90.536 -3.612 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.627 -2.935 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.456 -1.462 7.149 1.00 0.00 H new ATOM 0 HG LEU A 81 93.845 -2.267 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 81 95.252 -3.115 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.985 -4.279 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.792 -3.281 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.896 -0.717 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.413 -0.796 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.370 -0.061 7.063 1.00 0.00 H new ATOM 1167 N LYS A 82 92.028 -5.610 7.985 1.00 0.00 N ATOM 1168 CA LYS A 82 92.809 -6.839 8.071 1.00 0.00 C ATOM 1169 C LYS A 82 92.724 -7.602 6.754 1.00 0.00 C ATOM 1170 O LYS A 82 91.770 -7.443 5.995 1.00 0.00 O ATOM 1171 CB LYS A 82 92.275 -7.705 9.219 1.00 0.00 C ATOM 1172 CG LYS A 82 93.029 -7.416 10.522 1.00 0.00 C ATOM 1173 CD LYS A 82 94.323 -8.236 10.578 1.00 0.00 C ATOM 1174 CE LYS A 82 95.254 -7.723 11.682 1.00 0.00 C ATOM 1175 NZ LYS A 82 95.855 -8.885 12.395 1.00 0.00 N ATOM 0 H LYS A 82 91.141 -5.709 7.492 1.00 0.00 H new ATOM 0 HA LYS A 82 93.853 -6.592 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.211 -7.513 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.377 -8.759 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.260 -6.353 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.398 -7.659 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 82 94.085 -9.285 10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.832 -8.184 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 96.038 -7.099 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.698 -7.099 12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 96.488 -8.542 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 95.099 -9.462 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 96.398 -9.463 11.722 1.00 0.00 H new ATOM 1189 N THR A 83 93.646 -8.538 6.557 1.00 0.00 N ATOM 1190 CA THR A 83 93.637 -9.341 5.343 1.00 0.00 C ATOM 1191 C THR A 83 92.231 -9.851 5.047 1.00 0.00 C ATOM 1192 O THR A 83 91.864 -10.070 3.893 1.00 0.00 O ATOM 1193 CB THR A 83 94.614 -10.513 5.498 1.00 0.00 C ATOM 1194 OG1 THR A 83 95.567 -10.198 6.503 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.346 -10.785 4.183 1.00 0.00 C ATOM 0 H THR A 83 94.397 -8.756 7.212 1.00 0.00 H new ATOM 0 HA THR A 83 93.953 -8.721 4.504 1.00 0.00 H new ATOM 0 HB THR A 83 94.050 -11.403 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 83 96.192 -10.945 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.034 -11.620 4.315 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.621 -11.032 3.407 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.906 -9.897 3.888 1.00 0.00 H new ATOM 1203 N GLU A 84 91.508 -10.165 6.115 1.00 0.00 N ATOM 1204 CA GLU A 84 90.167 -10.714 5.968 1.00 0.00 C ATOM 1205 C GLU A 84 89.307 -9.785 5.115 1.00 0.00 C ATOM 1206 O GLU A 84 88.185 -10.136 4.752 1.00 0.00 O ATOM 1207 CB GLU A 84 89.531 -10.894 7.350 1.00 0.00 C ATOM 1208 CG GLU A 84 88.417 -11.943 7.292 1.00 0.00 C ATOM 1209 CD GLU A 84 89.011 -13.349 7.312 1.00 0.00 C ATOM 1210 OE1 GLU A 84 90.223 -13.460 7.398 1.00 0.00 O ATOM 1211 OE2 GLU A 84 88.247 -14.294 7.202 1.00 0.00 O ATOM 0 H GLU A 84 91.822 -10.051 7.079 1.00 0.00 H new ATOM 0 HA GLU A 84 90.232 -11.683 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.290 -11.200 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 84 89.127 -9.943 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.742 -11.814 8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.824 -11.804 6.388 1.00 0.00 H new ATOM 1218 N ASP A 85 89.811 -8.583 4.844 1.00 0.00 N ATOM 1219 CA ASP A 85 89.082 -7.619 4.022 1.00 0.00 C ATOM 1220 C ASP A 85 89.549 -7.692 2.571 1.00 0.00 C ATOM 1221 O ASP A 85 88.908 -7.128 1.683 1.00 0.00 O ATOM 1222 CB ASP A 85 89.279 -6.196 4.558 1.00 0.00 C ATOM 1223 CG ASP A 85 88.344 -5.941 5.734 1.00 0.00 C ATOM 1224 OD1 ASP A 85 88.491 -6.618 6.738 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.522 -5.048 5.620 1.00 0.00 O ATOM 0 H ASP A 85 90.716 -8.254 5.179 1.00 0.00 H new ATOM 0 HA ASP A 85 88.022 -7.870 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.314 -6.058 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 85 89.085 -5.472 3.767 1.00 0.00 H new ATOM 1230 N GLU A 86 90.613 -8.448 2.316 1.00 0.00 N ATOM 1231 CA GLU A 86 91.081 -8.618 0.946 1.00 0.00 C ATOM 1232 C GLU A 86 89.941 -9.086 0.047 1.00 0.00 C ATOM 1233 O GLU A 86 89.767 -10.284 -0.173 1.00 0.00 O ATOM 1234 CB GLU A 86 92.212 -9.649 0.900 1.00 0.00 C ATOM 1235 CG GLU A 86 92.817 -9.732 -0.510 1.00 0.00 C ATOM 1236 CD GLU A 86 92.823 -11.170 -1.021 1.00 0.00 C ATOM 1237 OE1 GLU A 86 91.754 -11.666 -1.340 1.00 0.00 O ATOM 1238 OE2 GLU A 86 93.887 -11.766 -1.043 1.00 0.00 O ATOM 0 H GLU A 86 91.157 -8.943 3.023 1.00 0.00 H new ATOM 0 HA GLU A 86 91.448 -7.656 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.986 -9.378 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.831 -10.627 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.245 -9.103 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.835 -9.344 -0.496 1.00 0.00 H new ATOM 1245 N ALA A 87 89.186 -8.137 -0.498 1.00 0.00 N ATOM 1246 CA ALA A 87 88.066 -8.473 -1.370 1.00 0.00 C ATOM 1247 C ALA A 87 87.600 -7.240 -2.138 1.00 0.00 C ATOM 1248 O ALA A 87 88.294 -6.224 -2.167 1.00 0.00 O ATOM 1249 CB ALA A 87 86.911 -9.037 -0.539 1.00 0.00 C ATOM 0 H ALA A 87 89.328 -7.137 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 87 88.394 -9.226 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.078 -9.286 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.243 -9.935 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.589 -8.292 0.189 1.00 0.00 H new ATOM 1255 N ASP A 88 86.464 -7.360 -2.821 1.00 0.00 N ATOM 1256 CA ASP A 88 85.910 -6.255 -3.598 1.00 0.00 C ATOM 1257 C ASP A 88 84.683 -5.672 -2.904 1.00 0.00 C ATOM 1258 O ASP A 88 83.710 -6.377 -2.637 1.00 0.00 O ATOM 1259 CB ASP A 88 85.563 -6.718 -5.016 1.00 0.00 C ATOM 1260 CG ASP A 88 86.456 -7.887 -5.422 1.00 0.00 C ATOM 1261 OD1 ASP A 88 86.398 -8.911 -4.760 1.00 0.00 O ATOM 1262 OD2 ASP A 88 87.181 -7.743 -6.393 1.00 0.00 O ATOM 0 H ASP A 88 85.908 -8.215 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 88 86.664 -5.471 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.516 -7.017 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.690 -5.893 -5.717 1.00 0.00 H new ATOM 1267 N TYR A 89 84.683 -4.352 -2.757 1.00 0.00 N ATOM 1268 CA TYR A 89 83.571 -3.625 -2.153 1.00 0.00 C ATOM 1269 C TYR A 89 82.610 -3.127 -3.228 1.00 0.00 C ATOM 1270 O TYR A 89 83.028 -2.729 -4.315 1.00 0.00 O ATOM 1271 CB TYR A 89 84.107 -2.437 -1.349 1.00 0.00 C ATOM 1272 CG TYR A 89 84.707 -2.923 -0.049 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.931 -3.604 -0.053 1.00 0.00 C ATOM 1274 CD2 TYR A 89 84.021 -2.728 1.156 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.501 -4.023 1.155 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.575 -3.176 2.361 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.815 -3.826 2.360 1.00 0.00 C ATOM 1278 OH TYR A 89 86.348 -4.296 3.543 1.00 0.00 O ATOM 0 H TYR A 89 85.455 -3.754 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 89 83.032 -4.301 -1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.860 -1.904 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.302 -1.731 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.434 -3.806 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.062 -2.231 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.471 -4.499 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.047 -3.020 3.290 1.00 0.00 H new ATOM 0 HH TYR A 89 87.250 -3.933 3.662 1.00 0.00 H new ATOM 1288 N TYR A 90 81.316 -3.171 -2.919 1.00 0.00 N ATOM 1289 CA TYR A 90 80.272 -2.708 -3.831 1.00 0.00 C ATOM 1290 C TYR A 90 79.439 -1.620 -3.153 1.00 0.00 C ATOM 1291 O TYR A 90 79.255 -1.649 -1.937 1.00 0.00 O ATOM 1292 CB TYR A 90 79.406 -3.908 -4.240 1.00 0.00 C ATOM 1293 CG TYR A 90 79.811 -4.445 -5.596 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.126 -4.872 -5.821 1.00 0.00 C ATOM 1295 CD2 TYR A 90 78.863 -4.545 -6.623 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.510 -5.320 -7.090 1.00 0.00 C ATOM 1297 CE2 TYR A 90 79.258 -4.949 -7.905 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.569 -5.386 -8.124 1.00 0.00 C ATOM 1299 OH TYR A 90 80.943 -5.851 -9.369 1.00 0.00 O ATOM 0 H TYR A 90 80.962 -3.528 -2.031 1.00 0.00 H new ATOM 0 HA TYR A 90 80.714 -2.275 -4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.498 -4.696 -3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.358 -3.611 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.844 -4.855 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 90 77.827 -4.311 -6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.533 -5.615 -7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 90 78.552 -4.923 -8.722 1.00 0.00 H new ATOM 0 HH TYR A 90 80.170 -5.833 -9.971 1.00 0.00 H new ATOM 1309 N CYS A 91 78.835 -0.746 -3.959 1.00 0.00 N ATOM 1310 CA CYS A 91 77.989 0.341 -3.464 1.00 0.00 C ATOM 1311 C CYS A 91 76.580 0.101 -4.019 1.00 0.00 C ATOM 1312 O CYS A 91 76.429 -0.401 -5.133 1.00 0.00 O ATOM 1313 CB CYS A 91 78.514 1.711 -3.943 1.00 0.00 C ATOM 1314 SG CYS A 91 79.827 2.434 -2.909 1.00 0.00 S ATOM 0 H CYS A 91 78.919 -0.772 -4.975 1.00 0.00 H new ATOM 0 HA CYS A 91 77.990 0.353 -2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.891 1.604 -4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.678 2.410 -3.984 1.00 0.00 H new ATOM 1319 N GLN A 92 75.546 0.375 -3.224 1.00 0.00 N ATOM 1320 CA GLN A 92 74.160 0.237 -3.670 1.00 0.00 C ATOM 1321 C GLN A 92 73.337 1.454 -3.260 1.00 0.00 C ATOM 1322 O GLN A 92 73.219 1.766 -2.074 1.00 0.00 O ATOM 1323 CB GLN A 92 73.514 -1.013 -3.064 1.00 0.00 C ATOM 1324 CG GLN A 92 74.317 -2.257 -3.449 1.00 0.00 C ATOM 1325 CD GLN A 92 73.502 -3.518 -3.176 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.347 -3.433 -2.757 1.00 0.00 O ATOM 1327 NE2 GLN A 92 74.013 -4.689 -3.443 1.00 0.00 N ATOM 0 H GLN A 92 75.644 0.696 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 92 74.175 0.151 -4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.470 -0.920 -1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.487 -1.109 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.587 -2.212 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 92 75.248 -2.287 -2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.969 -4.761 -3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.456 -5.532 -3.305 1.00 0.00 H new ATOM 1336 N SER A 93 72.707 2.097 -4.240 1.00 0.00 N ATOM 1337 CA SER A 93 71.893 3.286 -3.998 1.00 0.00 C ATOM 1338 C SER A 93 70.491 3.110 -4.576 1.00 0.00 C ATOM 1339 O SER A 93 70.281 2.293 -5.473 1.00 0.00 O ATOM 1340 CB SER A 93 72.561 4.507 -4.635 1.00 0.00 C ATOM 1341 OG SER A 93 72.651 4.322 -6.040 1.00 0.00 O ATOM 0 H SER A 93 72.745 1.811 -5.218 1.00 0.00 H new ATOM 0 HA SER A 93 71.809 3.433 -2.921 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.986 5.406 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.555 4.652 -4.213 1.00 0.00 H new ATOM 0 HG SER A 93 72.770 5.191 -6.477 1.00 0.00 H new ATOM 1347 N TYR A 94 69.550 3.928 -4.113 1.00 0.00 N ATOM 1348 CA TYR A 94 68.173 3.878 -4.597 1.00 0.00 C ATOM 1349 C TYR A 94 67.801 5.207 -5.246 1.00 0.00 C ATOM 1350 O TYR A 94 68.311 6.261 -4.866 1.00 0.00 O ATOM 1351 CB TYR A 94 67.225 3.585 -3.427 1.00 0.00 C ATOM 1352 CG TYR A 94 67.000 2.097 -3.280 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.078 1.256 -2.980 1.00 0.00 C ATOM 1354 CD2 TYR A 94 65.725 1.554 -3.482 1.00 0.00 C ATOM 1355 CE1 TYR A 94 67.875 -0.123 -2.858 1.00 0.00 C ATOM 1356 CE2 TYR A 94 65.520 0.175 -3.360 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.599 -0.664 -3.058 1.00 0.00 C ATOM 1358 OH TYR A 94 66.407 -2.027 -2.957 1.00 0.00 O ATOM 0 H TYR A 94 69.717 4.637 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 94 68.083 3.085 -5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.643 3.987 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.272 4.087 -3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.066 1.671 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 94 64.898 2.201 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 94 68.703 -0.771 -2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 94 64.533 -0.240 -3.498 1.00 0.00 H new ATOM 0 HH TYR A 94 65.464 -2.238 -3.123 1.00 0.00 H new ATOM 1368 N ASP A 95 66.855 5.151 -6.181 1.00 0.00 N ATOM 1369 CA ASP A 95 66.380 6.341 -6.880 1.00 0.00 C ATOM 1370 C ASP A 95 64.980 6.711 -6.403 1.00 0.00 C ATOM 1371 O ASP A 95 64.349 5.961 -5.659 1.00 0.00 O ATOM 1372 CB ASP A 95 66.347 6.075 -8.385 1.00 0.00 C ATOM 1373 CG ASP A 95 67.660 5.437 -8.826 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.579 5.403 -8.024 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.739 5.018 -9.968 1.00 0.00 O ATOM 0 H ASP A 95 66.400 4.286 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 95 67.059 7.166 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.513 5.417 -8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 95 66.186 7.008 -8.925 1.00 0.00 H new ATOM 1380 N SER A 96 64.510 7.881 -6.821 1.00 0.00 N ATOM 1381 CA SER A 96 63.183 8.344 -6.433 1.00 0.00 C ATOM 1382 C SER A 96 62.109 7.393 -6.950 1.00 0.00 C ATOM 1383 O SER A 96 61.085 7.179 -6.300 1.00 0.00 O ATOM 1384 CB SER A 96 62.938 9.745 -6.996 1.00 0.00 C ATOM 1385 OG SER A 96 62.994 9.705 -8.414 1.00 0.00 O ATOM 0 H SER A 96 65.024 8.523 -7.425 1.00 0.00 H new ATOM 0 HA SER A 96 63.132 8.372 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 96 61.965 10.114 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.686 10.438 -6.612 1.00 0.00 H new ATOM 0 HG SER A 96 62.835 10.603 -8.773 1.00 0.00 H new ATOM 1391 N SER A 97 62.365 6.802 -8.114 1.00 0.00 N ATOM 1392 CA SER A 97 61.402 5.886 -8.715 1.00 0.00 C ATOM 1393 C SER A 97 61.430 4.541 -7.995 1.00 0.00 C ATOM 1394 O SER A 97 60.854 3.561 -8.467 1.00 0.00 O ATOM 1395 CB SER A 97 61.728 5.688 -10.196 1.00 0.00 C ATOM 1396 OG SER A 97 61.349 6.851 -10.918 1.00 0.00 O ATOM 0 H SER A 97 63.220 6.939 -8.654 1.00 0.00 H new ATOM 0 HA SER A 97 60.404 6.315 -8.620 1.00 0.00 H new ATOM 0 HB2 SER A 97 62.794 5.498 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.200 4.817 -10.583 1.00 0.00 H new ATOM 0 HG SER A 97 61.558 6.729 -11.868 1.00 0.00 H new ATOM 1402 N ASN A 98 62.112 4.500 -6.855 1.00 0.00 N ATOM 1403 CA ASN A 98 62.230 3.263 -6.092 1.00 0.00 C ATOM 1404 C ASN A 98 62.908 2.180 -6.925 1.00 0.00 C ATOM 1405 O ASN A 98 62.567 1.003 -6.816 1.00 0.00 O ATOM 1406 CB ASN A 98 60.841 2.782 -5.665 1.00 0.00 C ATOM 1407 CG ASN A 98 60.955 1.817 -4.489 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.980 2.244 -3.335 1.00 0.00 O ATOM 1409 ND2 ASN A 98 61.044 0.536 -4.720 1.00 0.00 N ATOM 0 H ASN A 98 62.588 5.302 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 98 62.838 3.460 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.223 3.635 -5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.346 2.290 -6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 98 61.135 -0.117 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 98 61.023 0.188 -5.679 1.00 0.00 H new ATOM 1416 N HIS A 99 63.960 2.560 -7.643 1.00 0.00 N ATOM 1417 CA HIS A 99 64.716 1.607 -8.453 1.00 0.00 C ATOM 1418 C HIS A 99 66.105 1.411 -7.855 1.00 0.00 C ATOM 1419 O HIS A 99 66.892 2.352 -7.756 1.00 0.00 O ATOM 1420 CB HIS A 99 64.840 2.133 -9.886 1.00 0.00 C ATOM 1421 CG HIS A 99 63.580 1.844 -10.656 1.00 0.00 C ATOM 1422 ND1 HIS A 99 62.613 2.808 -10.886 1.00 0.00 N ATOM 1423 CD2 HIS A 99 63.107 0.690 -11.235 1.00 0.00 C ATOM 1424 CE1 HIS A 99 61.620 2.229 -11.582 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.881 0.947 -11.846 1.00 0.00 N ATOM 0 H HIS A 99 64.309 3.518 -7.682 1.00 0.00 H new ATOM 0 HA HIS A 99 64.193 0.651 -8.465 1.00 0.00 H new ATOM 0 HB2 HIS A 99 65.028 3.207 -9.872 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.692 1.666 -10.380 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.608 -0.267 -11.219 1.00 0.00 H new ATOM 0 HE1 HIS A 99 60.720 2.739 -11.890 1.00 0.00 H new ATOM 0 HE2 HIS A 99 61.306 0.295 -12.380 1.00 0.00 H new ATOM 1433 N VAL A 100 66.405 0.168 -7.492 1.00 0.00 N ATOM 1434 CA VAL A 100 67.704 -0.167 -6.922 1.00 0.00 C ATOM 1435 C VAL A 100 68.792 -0.086 -7.985 1.00 0.00 C ATOM 1436 O VAL A 100 68.627 -0.595 -9.094 1.00 0.00 O ATOM 1437 CB VAL A 100 67.667 -1.582 -6.337 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.531 -2.611 -7.467 1.00 0.00 C ATOM 1439 CG2 VAL A 100 68.944 -1.852 -5.535 1.00 0.00 C ATOM 0 H VAL A 100 65.767 -0.623 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 100 67.929 0.549 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 100 66.808 -1.668 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.505 -3.615 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.609 -2.426 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.382 -2.524 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 100 68.908 -2.860 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.811 -1.757 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.022 -1.130 -4.722 1.00 0.00 H new ATOM 1449 N VAL A 101 69.897 0.573 -7.651 1.00 0.00 N ATOM 1450 CA VAL A 101 71.012 0.718 -8.580 1.00 0.00 C ATOM 1451 C VAL A 101 72.315 0.304 -7.906 1.00 0.00 C ATOM 1452 O VAL A 101 72.535 0.594 -6.730 1.00 0.00 O ATOM 1453 CB VAL A 101 71.107 2.175 -9.036 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.325 2.350 -9.943 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.842 2.552 -9.808 1.00 0.00 C ATOM 0 H VAL A 101 70.044 1.015 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 101 70.843 0.075 -9.444 1.00 0.00 H new ATOM 0 HB VAL A 101 71.208 2.820 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.391 3.389 -10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.228 2.083 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.225 1.704 -10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.910 3.590 -10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.741 1.905 -10.679 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.972 2.430 -9.163 1.00 0.00 H new ATOM 1465 N PHE A 102 73.166 -0.388 -8.659 1.00 0.00 N ATOM 1466 CA PHE A 102 74.457 -0.842 -8.151 1.00 0.00 C ATOM 1467 C PHE A 102 75.587 -0.161 -8.915 1.00 0.00 C ATOM 1468 O PHE A 102 75.454 0.137 -10.102 1.00 0.00 O ATOM 1469 CB PHE A 102 74.569 -2.361 -8.306 1.00 0.00 C ATOM 1470 CG PHE A 102 73.944 -2.774 -9.618 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.572 -3.046 -9.672 1.00 0.00 C ATOM 1472 CD2 PHE A 102 74.730 -2.902 -10.770 1.00 0.00 C ATOM 1473 CE1 PHE A 102 71.996 -3.496 -10.866 1.00 0.00 C ATOM 1474 CE2 PHE A 102 74.143 -3.307 -11.975 1.00 0.00 C ATOM 1475 CZ PHE A 102 72.770 -3.576 -12.030 1.00 0.00 C ATOM 0 H PHE A 102 72.983 -0.648 -9.628 1.00 0.00 H new ATOM 0 HA PHE A 102 74.535 -0.582 -7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.615 -2.665 -8.276 1.00 0.00 H new ATOM 0 HB3 PHE A 102 74.068 -2.861 -7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 102 71.959 -2.909 -8.794 1.00 0.00 H new ATOM 0 HD2 PHE A 102 75.788 -2.689 -10.729 1.00 0.00 H new ATOM 0 HE1 PHE A 102 70.955 -3.781 -10.889 1.00 0.00 H new ATOM 0 HE2 PHE A 102 74.750 -3.412 -12.862 1.00 0.00 H new ATOM 0 HZ PHE A 102 72.309 -3.845 -12.969 1.00 0.00 H new ATOM 1485 N GLY A 103 76.690 0.097 -8.219 1.00 0.00 N ATOM 1486 CA GLY A 103 77.839 0.760 -8.824 1.00 0.00 C ATOM 1487 C GLY A 103 78.812 -0.261 -9.402 1.00 0.00 C ATOM 1488 O GLY A 103 78.607 -1.469 -9.281 1.00 0.00 O ATOM 0 H GLY A 103 76.812 -0.143 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.502 1.434 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.347 1.371 -8.077 1.00 0.00 H new ATOM 1492 N GLY A 104 79.848 0.235 -10.070 1.00 0.00 N ATOM 1493 CA GLY A 104 80.830 -0.639 -10.701 1.00 0.00 C ATOM 1494 C GLY A 104 81.562 -1.479 -9.659 1.00 0.00 C ATOM 1495 O GLY A 104 81.903 -2.634 -9.911 1.00 0.00 O ATOM 0 H GLY A 104 80.029 1.232 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.333 -1.293 -11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.548 -0.040 -11.261 1.00 0.00 H new ATOM 1499 N GLY A 105 81.756 -0.908 -8.474 1.00 0.00 N ATOM 1500 CA GLY A 105 82.439 -1.608 -7.390 1.00 0.00 C ATOM 1501 C GLY A 105 83.907 -1.201 -7.310 1.00 0.00 C ATOM 1502 O GLY A 105 84.361 -0.330 -8.052 1.00 0.00 O ATOM 0 H GLY A 105 81.450 0.037 -8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.946 -1.388 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.365 -2.684 -7.545 1.00 0.00 H new ATOM 1506 N THR A 106 84.625 -1.784 -6.354 1.00 0.00 N ATOM 1507 CA THR A 106 86.033 -1.461 -6.146 1.00 0.00 C ATOM 1508 C THR A 106 86.779 -2.657 -5.562 1.00 0.00 C ATOM 1509 O THR A 106 86.263 -3.360 -4.692 1.00 0.00 O ATOM 1510 CB THR A 106 86.153 -0.263 -5.201 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.660 0.888 -5.868 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.612 -0.030 -4.796 1.00 0.00 C ATOM 0 H THR A 106 84.254 -2.483 -5.711 1.00 0.00 H new ATOM 0 HA THR A 106 86.479 -1.211 -7.109 1.00 0.00 H new ATOM 0 HB THR A 106 85.576 -0.461 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.839 0.811 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.671 0.827 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.995 -0.916 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.210 0.165 -5.686 1.00 0.00 H new ATOM 1520 N LYS A 107 87.970 -2.920 -6.094 1.00 0.00 N ATOM 1521 CA LYS A 107 88.802 -4.016 -5.606 1.00 0.00 C ATOM 1522 C LYS A 107 89.739 -3.523 -4.510 1.00 0.00 C ATOM 1523 O LYS A 107 90.710 -2.817 -4.780 1.00 0.00 O ATOM 1524 CB LYS A 107 89.622 -4.605 -6.754 1.00 0.00 C ATOM 1525 CG LYS A 107 90.408 -5.816 -6.246 1.00 0.00 C ATOM 1526 CD LYS A 107 91.180 -6.453 -7.402 1.00 0.00 C ATOM 1527 CE LYS A 107 92.066 -7.575 -6.858 1.00 0.00 C ATOM 1528 NZ LYS A 107 93.078 -6.993 -5.931 1.00 0.00 N ATOM 0 H LYS A 107 88.380 -2.389 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 107 88.151 -4.788 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.964 -4.901 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.305 -3.854 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.099 -5.510 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.727 -6.545 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.486 -6.849 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.790 -5.703 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 107 91.458 -8.314 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 107 92.562 -8.093 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.960 -7.540 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 93.264 -6.005 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 92.716 -7.027 -4.956 1.00 0.00 H new ATOM 1542 N LEU A 108 89.495 -3.973 -3.283 1.00 0.00 N ATOM 1543 CA LEU A 108 90.353 -3.618 -2.157 1.00 0.00 C ATOM 1544 C LEU A 108 91.300 -4.766 -1.828 1.00 0.00 C ATOM 1545 O LEU A 108 90.863 -5.876 -1.522 1.00 0.00 O ATOM 1546 CB LEU A 108 89.490 -3.296 -0.933 1.00 0.00 C ATOM 1547 CG LEU A 108 90.321 -2.565 0.126 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.414 -1.073 -0.204 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.662 -2.727 1.498 1.00 0.00 C ATOM 0 H LEU A 108 88.713 -4.582 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 108 90.943 -2.743 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.642 -2.679 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.083 -4.216 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 108 91.323 -2.995 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.008 -0.568 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.888 -0.944 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.413 -0.643 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.255 -2.206 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.657 -2.305 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.604 -3.786 1.751 1.00 0.00 H new ATOM 1561 N THR A 109 92.592 -4.457 -1.777 1.00 0.00 N ATOM 1562 CA THR A 109 93.608 -5.449 -1.440 1.00 0.00 C ATOM 1563 C THR A 109 94.357 -5.032 -0.180 1.00 0.00 C ATOM 1564 O THR A 109 94.527 -3.843 0.090 1.00 0.00 O ATOM 1565 CB THR A 109 94.601 -5.584 -2.596 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.932 -6.106 -3.734 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.740 -6.523 -2.197 1.00 0.00 C ATOM 0 H THR A 109 92.961 -3.525 -1.965 1.00 0.00 H new ATOM 0 HA THR A 109 93.117 -6.406 -1.263 1.00 0.00 H new ATOM 0 HB THR A 109 95.013 -4.603 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 109 93.037 -6.410 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.443 -6.614 -3.025 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.256 -6.120 -1.326 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.334 -7.505 -1.956 1.00 0.00 H new ATOM 1575 N VAL A 110 94.799 -6.023 0.590 1.00 0.00 N ATOM 1576 CA VAL A 110 95.488 -5.772 1.853 1.00 0.00 C ATOM 1577 C VAL A 110 96.940 -6.225 1.740 1.00 0.00 C ATOM 1578 O VAL A 110 97.221 -7.344 1.309 1.00 0.00 O ATOM 1579 CB VAL A 110 94.796 -6.534 2.987 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.456 -6.173 4.321 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.305 -6.182 3.039 1.00 0.00 C ATOM 0 H VAL A 110 94.692 -7.011 0.360 1.00 0.00 H new ATOM 0 HA VAL A 110 95.457 -4.705 2.072 1.00 0.00 H new ATOM 0 HB VAL A 110 94.896 -7.604 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.964 -6.715 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.511 -6.446 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.363 -5.101 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.829 -6.733 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.190 -5.112 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.834 -6.451 2.093 1.00 0.00 H new ATOM 1591 N LEU A 111 97.860 -5.327 2.077 1.00 0.00 N ATOM 1592 CA LEU A 111 99.287 -5.617 2.005 1.00 0.00 C ATOM 1593 C LEU A 111 99.812 -6.056 3.369 1.00 0.00 C ATOM 1594 O LEU A 111 100.752 -5.422 3.829 1.00 0.00 O ATOM 1595 CB LEU A 111 100.029 -4.357 1.552 1.00 0.00 C ATOM 1596 CG LEU A 111 99.576 -3.959 0.141 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.710 -2.445 -0.047 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.419 -4.673 -0.920 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.302 -7.014 3.881 1.00 0.00 O ATOM 0 H LEU A 111 97.640 -4.386 2.405 1.00 0.00 H new ATOM 0 HA LEU A 111 99.452 -6.425 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 111 99.836 -3.541 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 111 101.104 -4.535 1.561 1.00 0.00 H new ATOM 0 HG LEU A 111 98.533 -4.253 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.386 -2.173 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.089 -1.931 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.751 -2.152 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 111 100.081 -4.377 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.467 -4.400 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.310 -5.752 -0.806 1.00 0.00 H new TER 1611 LEU A 111