USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=40 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+ -156:sc= -1.51! (180deg=-1.16) USER MOD Set 1.2: A 109 THR OG1 : rot 96:sc= -1.47! USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 75 SER OG : rot 104:sc= -0.0016 USER MOD Set 3.1: A 31 SER OG : rot 10:sc= 0.55 USER MOD Set 3.2: A 32 ASN : amide:sc= -2.08 K(o=-1.5,f=-0.6) USER MOD Set 4.1: A 28 SER OG : rot 74:sc= 0.115 USER MOD Set 4.2: A 72 ASN : amide:sc= -0.707 K(o=-0.59,f=-1.6) USER MOD Set 5.1: A 6 GLN : amide:sc= -6.36! C(o=-5.6!,f=-5.3!) USER MOD Set 5.2: A 106 THR OG1 : rot -42:sc= 0.744 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) 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 8 HIS : no HD1:sc= -1.54! C(o=-1.5!,f=-4.8!) USER MOD Single : A 9 SER OG : rot 42:sc= 0.534 USER MOD Single : A 11 SER OG : rot 10:sc= 0.71 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -145:sc= 0.84 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.83! C(o=-2.8!,f=-1.6!) USER MOD Single : A 37 TYR OH : rot -93:sc= 1.71 USER MOD Single : A 38 GLN : amide:sc= -4.56! C(o=-4.6!,f=-15!) USER MOD Single : A 39 GLN : amide:sc= -0.0705 K(o=-0.071,f=-1.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.69 USER MOD Single : A 46 THR OG1 : rot 28:sc= 1.05 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -3.94! K(o=-3.9!,f=-2) USER MOD Single : A 54 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.03) 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 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -49:sc= 0.0631 USER MOD Single : A 73 SER OG : rot 180:sc= 0 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 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.47) USER MOD Single : A 93 SER OG : rot 180:sc= 0 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 177:sc= -2.78! USER MOD Single : A 98 ASN : amide:sc= -2.23! C(o=-2.2!,f=-2.4!) USER MOD Single : A 99 HIS : no HE2:sc= 1.02 K(o=1,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 67.894 7.359 -14.985 1.00 0.00 N ATOM 2 CA ASN A 1 69.368 7.340 -15.206 1.00 0.00 C ATOM 3 C ASN A 1 70.066 7.571 -13.869 1.00 0.00 C ATOM 4 O ASN A 1 70.320 8.712 -13.480 1.00 0.00 O ATOM 5 CB ASN A 1 69.722 8.432 -16.225 1.00 0.00 C ATOM 6 CG ASN A 1 70.095 7.833 -17.578 1.00 0.00 C ATOM 7 OD1 ASN A 1 71.216 8.023 -18.051 1.00 0.00 O ATOM 8 ND2 ASN A 1 69.231 7.097 -18.222 1.00 0.00 N ATOM 0 H1 ASN A 1 67.405 7.203 -15.890 1.00 0.00 H new ATOM 0 H2 ASN A 1 67.634 6.607 -14.316 1.00 0.00 H new ATOM 0 H3 ASN A 1 67.613 8.281 -14.595 1.00 0.00 H new ATOM 0 HA ASN A 1 69.698 6.379 -15.602 1.00 0.00 H new ATOM 0 HB2 ASN A 1 68.875 9.107 -16.346 1.00 0.00 H new ATOM 0 HB3 ASN A 1 70.553 9.028 -15.848 1.00 0.00 H new ATOM 0 HD21 ASN A 1 69.484 6.679 -19.117 1.00 0.00 H new ATOM 0 HD22 ASN A 1 68.303 6.940 -17.830 1.00 0.00 H new ATOM 17 N PHE A 2 70.473 6.482 -13.224 1.00 0.00 N ATOM 18 CA PHE A 2 71.203 6.555 -11.962 1.00 0.00 C ATOM 19 C PHE A 2 72.471 5.714 -12.053 1.00 0.00 C ATOM 20 O PHE A 2 72.425 4.533 -12.399 1.00 0.00 O ATOM 21 CB PHE A 2 70.316 6.045 -10.820 1.00 0.00 C ATOM 22 CG PHE A 2 69.528 7.181 -10.212 1.00 0.00 C ATOM 23 CD1 PHE A 2 70.140 8.015 -9.269 1.00 0.00 C ATOM 24 CD2 PHE A 2 68.223 7.449 -10.643 1.00 0.00 C ATOM 25 CE1 PHE A 2 69.426 9.084 -8.715 1.00 0.00 C ATOM 26 CE2 PHE A 2 67.500 8.505 -10.074 1.00 0.00 C ATOM 27 CZ PHE A 2 68.111 9.336 -9.127 1.00 0.00 C ATOM 0 H PHE A 2 70.308 5.532 -13.557 1.00 0.00 H new ATOM 0 HA PHE A 2 71.477 7.591 -11.763 1.00 0.00 H new ATOM 0 HB2 PHE A 2 69.634 5.282 -11.195 1.00 0.00 H new ATOM 0 HB3 PHE A 2 70.933 5.573 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 2 71.162 7.834 -8.969 1.00 0.00 H new ATOM 0 HD2 PHE A 2 67.774 6.841 -11.414 1.00 0.00 H new ATOM 0 HE1 PHE A 2 69.889 9.714 -7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 2 66.474 8.678 -10.365 1.00 0.00 H new ATOM 0 HZ PHE A 2 67.568 10.173 -8.713 1.00 0.00 H new ATOM 37 N MET A 3 73.600 6.319 -11.696 1.00 0.00 N ATOM 38 CA MET A 3 74.881 5.623 -11.734 1.00 0.00 C ATOM 39 C MET A 3 75.740 6.085 -10.559 1.00 0.00 C ATOM 40 O MET A 3 75.517 7.176 -10.034 1.00 0.00 O ATOM 41 CB MET A 3 75.603 5.931 -13.048 1.00 0.00 C ATOM 42 CG MET A 3 74.705 5.554 -14.229 1.00 0.00 C ATOM 43 SD MET A 3 75.593 5.837 -15.782 1.00 0.00 S ATOM 44 CE MET A 3 74.546 7.157 -16.447 1.00 0.00 C ATOM 0 H MET A 3 73.654 7.287 -11.378 1.00 0.00 H new ATOM 0 HA MET A 3 74.710 4.549 -11.665 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.857 6.990 -13.095 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.540 5.376 -13.099 1.00 0.00 H new ATOM 0 HG2 MET A 3 74.408 4.508 -14.154 1.00 0.00 H new ATOM 0 HG3 MET A 3 73.791 6.147 -14.208 1.00 0.00 H new ATOM 0 HE1 MET A 3 74.932 7.474 -17.416 1.00 0.00 H new ATOM 0 HE2 MET A 3 73.527 6.788 -16.566 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.548 8.004 -15.760 1.00 0.00 H new ATOM 54 N LEU A 4 76.744 5.303 -10.164 1.00 0.00 N ATOM 55 CA LEU A 4 77.635 5.690 -9.078 1.00 0.00 C ATOM 56 C LEU A 4 79.073 5.654 -9.574 1.00 0.00 C ATOM 57 O LEU A 4 79.463 4.755 -10.318 1.00 0.00 O ATOM 58 CB LEU A 4 77.469 4.707 -7.918 1.00 0.00 C ATOM 59 CG LEU A 4 76.012 4.723 -7.437 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.634 3.386 -6.790 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.785 5.858 -6.432 1.00 0.00 C ATOM 0 H LEU A 4 76.958 4.398 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 4 77.392 6.697 -8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.747 3.702 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.136 4.978 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 4 75.379 4.885 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.597 3.423 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.753 2.583 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.283 3.200 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.746 5.851 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.438 5.718 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.010 6.814 -6.906 1.00 0.00 H new ATOM 73 N THR A 5 79.886 6.562 -9.047 1.00 0.00 N ATOM 74 CA THR A 5 81.292 6.640 -9.436 1.00 0.00 C ATOM 75 C THR A 5 82.182 6.445 -8.214 1.00 0.00 C ATOM 76 O THR A 5 82.088 7.189 -7.238 1.00 0.00 O ATOM 77 CB THR A 5 81.585 8.001 -10.072 1.00 0.00 C ATOM 78 OG1 THR A 5 80.858 8.129 -11.285 1.00 0.00 O ATOM 79 CG2 THR A 5 83.082 8.137 -10.360 1.00 0.00 C ATOM 0 H THR A 5 79.599 7.252 -8.353 1.00 0.00 H new ATOM 0 HA THR A 5 81.500 5.853 -10.161 1.00 0.00 H new ATOM 0 HB THR A 5 81.281 8.786 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.046 9.002 -11.689 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.279 9.109 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.641 8.051 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.394 7.348 -11.045 1.00 0.00 H new ATOM 87 N GLN A 6 83.050 5.438 -8.283 1.00 0.00 N ATOM 88 CA GLN A 6 83.925 5.096 -7.165 1.00 0.00 C ATOM 89 C GLN A 6 85.331 4.815 -7.691 1.00 0.00 C ATOM 90 O GLN A 6 85.535 4.786 -8.905 1.00 0.00 O ATOM 91 CB GLN A 6 83.372 3.884 -6.399 1.00 0.00 C ATOM 92 CG GLN A 6 81.899 3.647 -6.739 1.00 0.00 C ATOM 93 CD GLN A 6 81.389 2.422 -5.990 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.256 1.992 -6.203 1.00 0.00 O ATOM 95 NE2 GLN A 6 82.139 1.867 -5.078 1.00 0.00 N ATOM 0 H GLN A 6 83.166 4.844 -9.104 1.00 0.00 H new ATOM 0 HA GLN A 6 83.969 5.935 -6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.954 2.996 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.480 4.047 -5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.308 4.522 -6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.782 3.503 -7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.078 2.225 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.786 1.075 -4.540 1.00 0.00 H new ATOM 104 N PRO A 7 86.263 4.474 -6.840 1.00 0.00 N ATOM 105 CA PRO A 7 87.638 4.094 -7.273 1.00 0.00 C ATOM 106 C PRO A 7 87.656 2.719 -7.938 1.00 0.00 C ATOM 107 O PRO A 7 87.003 1.786 -7.468 1.00 0.00 O ATOM 108 CB PRO A 7 88.474 4.117 -5.985 1.00 0.00 C ATOM 109 CG PRO A 7 87.563 4.548 -4.878 1.00 0.00 C ATOM 110 CD PRO A 7 86.124 4.394 -5.376 1.00 0.00 C ATOM 0 HA PRO A 7 88.035 4.777 -8.024 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.892 3.131 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.314 4.805 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.727 3.940 -3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.763 5.582 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.690 3.444 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.478 5.182 -4.989 1.00 0.00 H new ATOM 118 N HIS A 8 88.514 2.562 -8.941 1.00 0.00 N ATOM 119 CA HIS A 8 88.642 1.287 -9.638 1.00 0.00 C ATOM 120 C HIS A 8 89.238 0.248 -8.694 1.00 0.00 C ATOM 121 O HIS A 8 88.998 -0.949 -8.850 1.00 0.00 O ATOM 122 CB HIS A 8 89.511 1.437 -10.895 1.00 0.00 C ATOM 123 CG HIS A 8 89.634 2.886 -11.279 1.00 0.00 C ATOM 124 ND1 HIS A 8 88.598 3.785 -11.095 1.00 0.00 N ATOM 125 CD2 HIS A 8 90.707 3.632 -11.707 1.00 0.00 C ATOM 126 CE1 HIS A 8 89.049 5.002 -11.442 1.00 0.00 C ATOM 127 NE2 HIS A 8 90.331 4.970 -11.813 1.00 0.00 N ATOM 0 H HIS A 8 89.129 3.298 -9.288 1.00 0.00 H new ATOM 0 HA HIS A 8 87.653 0.956 -9.955 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.500 1.018 -10.713 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.072 0.872 -11.718 1.00 0.00 H new ATOM 0 HD2 HIS A 8 91.690 3.241 -11.927 1.00 0.00 H new ATOM 0 HE1 HIS A 8 88.447 5.898 -11.423 1.00 0.00 H new ATOM 0 HE2 HIS A 8 90.910 5.755 -12.110 1.00 0.00 H new ATOM 135 N SER A 9 90.198 0.694 -7.892 1.00 0.00 N ATOM 136 CA SER A 9 90.909 -0.204 -6.990 1.00 0.00 C ATOM 137 C SER A 9 91.723 0.599 -5.982 1.00 0.00 C ATOM 138 O SER A 9 92.017 1.773 -6.204 1.00 0.00 O ATOM 139 CB SER A 9 91.846 -1.118 -7.783 1.00 0.00 C ATOM 140 OG SER A 9 92.548 -1.964 -6.885 1.00 0.00 O ATOM 0 H SER A 9 90.501 1.667 -7.848 1.00 0.00 H new ATOM 0 HA SER A 9 90.175 -0.812 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 9 91.274 -1.716 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.550 -0.521 -8.363 1.00 0.00 H new ATOM 0 HG SER A 9 91.936 -2.282 -6.189 1.00 0.00 H new ATOM 146 N VAL A 10 92.117 -0.050 -4.892 1.00 0.00 N ATOM 147 CA VAL A 10 92.890 0.621 -3.855 1.00 0.00 C ATOM 148 C VAL A 10 93.541 -0.413 -2.942 1.00 0.00 C ATOM 149 O VAL A 10 93.111 -1.564 -2.893 1.00 0.00 O ATOM 150 CB VAL A 10 91.974 1.538 -3.041 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.803 0.725 -2.489 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.746 2.156 -1.874 1.00 0.00 C ATOM 0 H VAL A 10 91.916 -1.032 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 10 93.671 1.221 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 10 91.605 2.333 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.149 1.376 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.241 0.289 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.183 -0.071 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.083 2.806 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.123 1.364 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.583 2.739 -2.259 1.00 0.00 H new ATOM 162 N SER A 11 94.606 -0.015 -2.254 1.00 0.00 N ATOM 163 CA SER A 11 95.315 -0.919 -1.353 1.00 0.00 C ATOM 164 C SER A 11 95.734 -0.181 -0.086 1.00 0.00 C ATOM 165 O SER A 11 95.950 1.030 -0.108 1.00 0.00 O ATOM 166 CB SER A 11 96.555 -1.476 -2.055 1.00 0.00 C ATOM 167 OG SER A 11 97.042 -2.614 -1.359 1.00 0.00 O ATOM 0 H SER A 11 94.997 0.926 -2.302 1.00 0.00 H new ATOM 0 HA SER A 11 94.650 -1.739 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.310 -1.746 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.330 -0.711 -2.103 1.00 0.00 H new ATOM 0 HG SER A 11 96.388 -2.889 -0.683 1.00 0.00 H new ATOM 173 N GLU A 12 95.823 -0.913 1.021 1.00 0.00 N ATOM 174 CA GLU A 12 96.199 -0.306 2.293 1.00 0.00 C ATOM 175 C GLU A 12 96.791 -1.359 3.227 1.00 0.00 C ATOM 176 O GLU A 12 96.501 -2.548 3.095 1.00 0.00 O ATOM 177 CB GLU A 12 94.959 0.351 2.913 1.00 0.00 C ATOM 178 CG GLU A 12 95.271 1.759 3.426 1.00 0.00 C ATOM 179 CD GLU A 12 96.332 1.699 4.520 1.00 0.00 C ATOM 180 OE1 GLU A 12 96.307 0.752 5.289 1.00 0.00 O ATOM 181 OE2 GLU A 12 97.173 2.581 4.552 1.00 0.00 O ATOM 0 H GLU A 12 95.642 -1.916 1.063 1.00 0.00 H new ATOM 0 HA GLU A 12 96.962 0.456 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.162 0.401 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.592 -0.264 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 12 95.621 2.384 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 12 94.364 2.222 3.814 1.00 0.00 H new ATOM 188 N SER A 13 97.601 -0.917 4.185 1.00 0.00 N ATOM 189 CA SER A 13 98.197 -1.823 5.161 1.00 0.00 C ATOM 190 C SER A 13 97.277 -1.988 6.371 1.00 0.00 C ATOM 191 O SER A 13 96.713 -1.001 6.841 1.00 0.00 O ATOM 192 CB SER A 13 99.568 -1.282 5.579 1.00 0.00 C ATOM 193 OG SER A 13 100.579 -2.034 4.924 1.00 0.00 O ATOM 0 H SER A 13 97.859 0.062 4.306 1.00 0.00 H new ATOM 0 HA SER A 13 98.328 -2.807 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.653 -0.227 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.687 -1.352 6.660 1.00 0.00 H new ATOM 0 HG SER A 13 101.460 -1.694 5.184 1.00 0.00 H new ATOM 199 N PRO A 14 97.281 -3.128 7.014 1.00 0.00 N ATOM 200 CA PRO A 14 96.428 -3.350 8.214 1.00 0.00 C ATOM 201 C PRO A 14 96.756 -2.357 9.325 1.00 0.00 C ATOM 202 O PRO A 14 97.895 -1.905 9.448 1.00 0.00 O ATOM 203 CB PRO A 14 96.712 -4.794 8.655 1.00 0.00 C ATOM 204 CG PRO A 14 97.670 -5.391 7.671 1.00 0.00 C ATOM 205 CD PRO A 14 97.911 -4.376 6.550 1.00 0.00 C ATOM 0 HA PRO A 14 95.373 -3.198 7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.135 -4.811 9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 14 95.789 -5.372 8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 14 98.610 -5.643 8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.266 -6.317 7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 14 98.977 -4.235 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.471 -4.714 5.612 1.00 0.00 H new ATOM 213 N GLY A 15 95.765 -2.054 10.159 1.00 0.00 N ATOM 214 CA GLY A 15 95.968 -1.177 11.307 1.00 0.00 C ATOM 215 C GLY A 15 95.508 0.243 10.993 1.00 0.00 C ATOM 216 O GLY A 15 95.079 0.979 11.882 1.00 0.00 O ATOM 0 H GLY A 15 94.812 -2.404 10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.417 -1.561 12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.023 -1.170 11.583 1.00 0.00 H new ATOM 220 N LYS A 16 95.575 0.613 9.719 1.00 0.00 N ATOM 221 CA LYS A 16 95.136 1.935 9.286 1.00 0.00 C ATOM 222 C LYS A 16 93.645 1.915 8.968 1.00 0.00 C ATOM 223 O LYS A 16 92.903 1.078 9.480 1.00 0.00 O ATOM 224 CB LYS A 16 95.906 2.370 8.037 1.00 0.00 C ATOM 225 CG LYS A 16 97.403 2.085 8.184 1.00 0.00 C ATOM 226 CD LYS A 16 98.011 3.009 9.245 1.00 0.00 C ATOM 227 CE LYS A 16 99.542 2.910 9.265 1.00 0.00 C ATOM 228 NZ LYS A 16 100.117 4.284 9.258 1.00 0.00 N ATOM 0 H LYS A 16 95.928 0.018 8.969 1.00 0.00 H new ATOM 0 HA LYS A 16 95.329 2.640 10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.517 1.845 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.751 3.435 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.557 1.043 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 16 97.906 2.235 7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.714 4.039 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 16 97.615 2.748 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 99.873 2.368 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 16 99.894 2.350 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.155 4.226 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.809 4.785 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 99.788 4.802 10.098 1.00 0.00 H new ATOM 242 N THR A 17 93.203 2.909 8.204 1.00 0.00 N ATOM 243 CA THR A 17 91.804 3.012 7.800 1.00 0.00 C ATOM 244 C THR A 17 91.681 3.146 6.286 1.00 0.00 C ATOM 245 O THR A 17 92.598 3.616 5.612 1.00 0.00 O ATOM 246 CB THR A 17 91.165 4.235 8.463 1.00 0.00 C ATOM 247 OG1 THR A 17 91.964 5.380 8.201 1.00 0.00 O ATOM 248 CG2 THR A 17 91.070 4.036 9.980 1.00 0.00 C ATOM 0 H THR A 17 93.797 3.659 7.850 1.00 0.00 H new ATOM 0 HA THR A 17 91.291 2.103 8.115 1.00 0.00 H new ATOM 0 HB THR A 17 90.163 4.369 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.558 6.166 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.613 4.915 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.460 3.159 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.069 3.893 10.391 1.00 0.00 H new ATOM 256 N VAL A 18 90.515 2.770 5.770 1.00 0.00 N ATOM 257 CA VAL A 18 90.205 2.902 4.349 1.00 0.00 C ATOM 258 C VAL A 18 88.937 3.733 4.178 1.00 0.00 C ATOM 259 O VAL A 18 87.958 3.549 4.901 1.00 0.00 O ATOM 260 CB VAL A 18 90.032 1.512 3.727 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.230 1.587 2.425 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.404 0.898 3.437 1.00 0.00 C ATOM 0 H VAL A 18 89.759 2.366 6.323 1.00 0.00 H new ATOM 0 HA VAL A 18 91.024 3.409 3.839 1.00 0.00 H new ATOM 0 HB VAL A 18 89.488 0.890 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.123 0.587 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.243 2.003 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.752 2.225 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.274 -0.090 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.949 1.537 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.966 0.809 4.366 1.00 0.00 H new ATOM 272 N THR A 19 88.966 4.655 3.222 1.00 0.00 N ATOM 273 CA THR A 19 87.807 5.488 2.929 1.00 0.00 C ATOM 274 C THR A 19 87.391 5.294 1.475 1.00 0.00 C ATOM 275 O THR A 19 88.106 5.696 0.558 1.00 0.00 O ATOM 276 CB THR A 19 88.163 6.951 3.203 1.00 0.00 C ATOM 277 OG1 THR A 19 88.281 7.150 4.605 1.00 0.00 O ATOM 278 CG2 THR A 19 87.071 7.866 2.644 1.00 0.00 C ATOM 0 H THR A 19 89.780 4.844 2.637 1.00 0.00 H new ATOM 0 HA THR A 19 86.969 5.203 3.565 1.00 0.00 H new ATOM 0 HB THR A 19 89.109 7.190 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.511 8.086 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.331 8.906 2.843 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.983 7.713 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.120 7.632 3.122 1.00 0.00 H new ATOM 286 N ILE A 20 86.185 4.770 1.282 1.00 0.00 N ATOM 287 CA ILE A 20 85.632 4.585 -0.056 1.00 0.00 C ATOM 288 C ILE A 20 84.534 5.612 -0.305 1.00 0.00 C ATOM 289 O ILE A 20 83.473 5.560 0.318 1.00 0.00 O ATOM 290 CB ILE A 20 85.048 3.176 -0.190 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.111 2.141 0.186 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.594 2.944 -1.634 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.501 0.737 0.247 1.00 0.00 C ATOM 0 H ILE A 20 85.570 4.465 2.037 1.00 0.00 H new ATOM 0 HA ILE A 20 86.428 4.717 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 20 84.193 3.075 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.919 2.160 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.548 2.395 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.179 1.941 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.833 3.678 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.447 3.048 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.273 0.016 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.709 0.717 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.086 0.478 -0.727 1.00 0.00 H new ATOM 305 N SER A 21 84.756 6.490 -1.279 1.00 0.00 N ATOM 306 CA SER A 21 83.778 7.519 -1.615 1.00 0.00 C ATOM 307 C SER A 21 83.022 7.121 -2.879 1.00 0.00 C ATOM 308 O SER A 21 83.625 6.975 -3.942 1.00 0.00 O ATOM 309 CB SER A 21 84.489 8.861 -1.808 1.00 0.00 C ATOM 310 OG SER A 21 84.912 9.362 -0.547 1.00 0.00 O ATOM 0 H SER A 21 85.602 6.509 -1.848 1.00 0.00 H new ATOM 0 HA SER A 21 83.060 7.620 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.348 8.738 -2.468 1.00 0.00 H new ATOM 0 HB3 SER A 21 83.818 9.574 -2.287 1.00 0.00 H new ATOM 0 HG SER A 21 85.368 10.220 -0.672 1.00 0.00 H new ATOM 316 N CYS A 22 81.693 7.098 -2.794 1.00 0.00 N ATOM 317 CA CYS A 22 80.854 6.728 -3.930 1.00 0.00 C ATOM 318 C CYS A 22 80.074 7.986 -4.327 1.00 0.00 C ATOM 319 O CYS A 22 79.290 8.514 -3.537 1.00 0.00 O ATOM 320 CB CYS A 22 79.903 5.584 -3.516 1.00 0.00 C ATOM 321 SG CYS A 22 80.694 3.946 -3.591 1.00 0.00 S ATOM 0 H CYS A 22 81.174 7.332 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 22 81.444 6.370 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.546 5.764 -2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.029 5.590 -4.168 1.00 0.00 H new ATOM 326 N THR A 23 80.308 8.503 -5.535 1.00 0.00 N ATOM 327 CA THR A 23 79.656 9.726 -6.008 1.00 0.00 C ATOM 328 C THR A 23 78.523 9.380 -6.968 1.00 0.00 C ATOM 329 O THR A 23 78.738 8.680 -7.958 1.00 0.00 O ATOM 330 CB THR A 23 80.648 10.657 -6.715 1.00 0.00 C ATOM 331 OG1 THR A 23 81.876 10.673 -6.004 1.00 0.00 O ATOM 332 CG2 THR A 23 80.092 12.083 -6.777 1.00 0.00 C ATOM 0 H THR A 23 80.951 8.088 -6.210 1.00 0.00 H new ATOM 0 HA THR A 23 79.259 10.243 -5.135 1.00 0.00 H new ATOM 0 HB THR A 23 80.807 10.289 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.509 11.267 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.808 12.731 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.151 12.083 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.920 12.451 -5.765 1.00 0.00 H new ATOM 340 N GLY A 24 77.325 9.889 -6.700 1.00 0.00 N ATOM 341 CA GLY A 24 76.179 9.595 -7.550 1.00 0.00 C ATOM 342 C GLY A 24 76.083 10.589 -8.702 1.00 0.00 C ATOM 343 O GLY A 24 76.562 11.720 -8.616 1.00 0.00 O ATOM 0 H GLY A 24 77.124 10.501 -5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.265 8.583 -7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.264 9.630 -6.958 1.00 0.00 H new ATOM 347 N SER A 25 75.532 10.113 -9.814 1.00 0.00 N ATOM 348 CA SER A 25 75.391 10.922 -11.021 1.00 0.00 C ATOM 349 C SER A 25 73.917 11.142 -11.341 1.00 0.00 C ATOM 350 O SER A 25 73.447 10.795 -12.425 1.00 0.00 O ATOM 351 CB SER A 25 76.080 10.214 -12.189 1.00 0.00 C ATOM 352 OG SER A 25 76.381 11.158 -13.207 1.00 0.00 O ATOM 0 H SER A 25 75.173 9.163 -9.905 1.00 0.00 H new ATOM 0 HA SER A 25 75.858 11.893 -10.858 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.994 9.730 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.434 9.431 -12.585 1.00 0.00 H new ATOM 0 HG SER A 25 76.824 10.704 -13.954 1.00 0.00 H new ATOM 358 N SER A 26 73.205 11.771 -10.412 1.00 0.00 N ATOM 359 CA SER A 26 71.803 12.100 -10.641 1.00 0.00 C ATOM 360 C SER A 26 71.191 12.732 -9.395 1.00 0.00 C ATOM 361 O SER A 26 70.907 13.930 -9.369 1.00 0.00 O ATOM 362 CB SER A 26 71.028 10.831 -11.007 1.00 0.00 C ATOM 363 OG SER A 26 69.659 11.000 -10.671 1.00 0.00 O ATOM 0 H SER A 26 73.570 12.060 -9.504 1.00 0.00 H new ATOM 0 HA SER A 26 71.743 12.815 -11.462 1.00 0.00 H new ATOM 0 HB2 SER A 26 71.129 10.625 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.441 9.974 -10.476 1.00 0.00 H new ATOM 0 HG SER A 26 69.289 10.145 -10.366 1.00 0.00 H new ATOM 369 N GLY A 27 71.021 11.922 -8.355 1.00 0.00 N ATOM 370 CA GLY A 27 70.457 12.392 -7.094 1.00 0.00 C ATOM 371 C GLY A 27 71.537 12.478 -6.021 1.00 0.00 C ATOM 372 O GLY A 27 72.704 12.172 -6.270 1.00 0.00 O ATOM 0 H GLY A 27 71.267 10.932 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 27 70.000 13.371 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.667 11.716 -6.769 1.00 0.00 H new ATOM 376 N SER A 28 71.135 12.890 -4.822 1.00 0.00 N ATOM 377 CA SER A 28 72.054 12.999 -3.696 1.00 0.00 C ATOM 378 C SER A 28 72.005 11.737 -2.839 1.00 0.00 C ATOM 379 O SER A 28 70.940 11.162 -2.616 1.00 0.00 O ATOM 380 CB SER A 28 71.697 14.226 -2.852 1.00 0.00 C ATOM 381 OG SER A 28 72.856 14.683 -2.169 1.00 0.00 O ATOM 0 H SER A 28 70.174 13.155 -4.606 1.00 0.00 H new ATOM 0 HA SER A 28 73.067 13.113 -4.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.302 15.017 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.915 13.973 -2.136 1.00 0.00 H new ATOM 0 HG SER A 28 73.453 15.133 -2.803 1.00 0.00 H new ATOM 387 N ILE A 29 73.167 11.358 -2.317 1.00 0.00 N ATOM 388 CA ILE A 29 73.276 10.162 -1.490 1.00 0.00 C ATOM 389 C ILE A 29 72.483 10.319 -0.197 1.00 0.00 C ATOM 390 O ILE A 29 72.498 9.442 0.666 1.00 0.00 O ATOM 391 CB ILE A 29 74.745 9.890 -1.155 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.355 11.033 -0.333 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.533 9.681 -2.454 1.00 0.00 C ATOM 394 CD1 ILE A 29 75.333 12.367 -1.083 1.00 0.00 C ATOM 0 H ILE A 29 74.044 11.860 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 29 72.866 9.323 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 29 74.800 8.987 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 29 74.807 11.137 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 29 76.384 10.782 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.579 9.487 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 29 75.120 8.831 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.460 10.576 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.776 13.143 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 29 75.905 12.275 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.303 12.635 -1.319 1.00 0.00 H new ATOM 406 N ALA A 30 71.801 11.453 -0.070 1.00 0.00 N ATOM 407 CA ALA A 30 70.970 11.732 1.098 1.00 0.00 C ATOM 408 C ALA A 30 69.495 11.693 0.714 1.00 0.00 C ATOM 409 O ALA A 30 68.629 11.472 1.559 1.00 0.00 O ATOM 410 CB ALA A 30 71.326 13.113 1.652 1.00 0.00 C ATOM 0 H ALA A 30 71.807 12.199 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 30 71.153 10.974 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.708 13.326 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.377 13.130 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.147 13.869 0.887 1.00 0.00 H new ATOM 416 N SER A 31 69.217 11.918 -0.566 1.00 0.00 N ATOM 417 CA SER A 31 67.840 11.908 -1.045 1.00 0.00 C ATOM 418 C SER A 31 67.295 10.486 -1.106 1.00 0.00 C ATOM 419 O SER A 31 66.103 10.281 -1.336 1.00 0.00 O ATOM 420 CB SER A 31 67.751 12.556 -2.429 1.00 0.00 C ATOM 421 OG SER A 31 68.825 12.098 -3.237 1.00 0.00 O ATOM 0 H SER A 31 69.918 12.107 -1.283 1.00 0.00 H new ATOM 0 HA SER A 31 67.236 12.482 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.798 12.308 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.788 13.641 -2.337 1.00 0.00 H new ATOM 0 HG SER A 31 69.281 11.358 -2.785 1.00 0.00 H new ATOM 427 N ASN A 32 68.165 9.502 -0.894 1.00 0.00 N ATOM 428 CA ASN A 32 67.762 8.100 -0.966 1.00 0.00 C ATOM 429 C ASN A 32 68.554 7.279 0.046 1.00 0.00 C ATOM 430 O ASN A 32 69.611 7.708 0.509 1.00 0.00 O ATOM 431 CB ASN A 32 67.991 7.561 -2.383 1.00 0.00 C ATOM 432 CG ASN A 32 67.819 8.680 -3.403 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.796 9.141 -3.993 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.623 9.132 -3.662 1.00 0.00 N ATOM 0 H ASN A 32 69.150 9.648 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 32 66.701 8.021 -0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.992 7.137 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.287 6.756 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.496 9.869 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.815 8.748 -3.171 1.00 0.00 H new ATOM 441 N TYR A 33 68.103 6.054 0.299 1.00 0.00 N ATOM 442 CA TYR A 33 68.804 5.167 1.221 1.00 0.00 C ATOM 443 C TYR A 33 69.901 4.409 0.480 1.00 0.00 C ATOM 444 O TYR A 33 69.720 4.038 -0.680 1.00 0.00 O ATOM 445 CB TYR A 33 67.813 4.167 1.822 1.00 0.00 C ATOM 446 CG TYR A 33 66.556 4.894 2.236 1.00 0.00 C ATOM 447 CD1 TYR A 33 66.612 5.852 3.255 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.339 4.627 1.596 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.455 6.544 3.633 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.172 5.283 2.008 1.00 0.00 C ATOM 451 CZ TYR A 33 64.233 6.253 3.015 1.00 0.00 C ATOM 452 OH TYR A 33 63.092 6.930 3.394 1.00 0.00 O ATOM 0 H TYR A 33 67.262 5.655 -0.118 1.00 0.00 H new ATOM 0 HA TYR A 33 69.253 5.762 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.575 3.392 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.259 3.669 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 33 67.549 6.058 3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.300 3.915 0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 33 65.505 7.302 4.401 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.225 5.040 1.549 1.00 0.00 H new ATOM 0 HH TYR A 33 62.331 6.609 2.867 1.00 0.00 H new ATOM 462 N VAL A 34 71.059 4.239 1.114 1.00 0.00 N ATOM 463 CA VAL A 34 72.186 3.560 0.480 1.00 0.00 C ATOM 464 C VAL A 34 72.739 2.482 1.410 1.00 0.00 C ATOM 465 O VAL A 34 72.706 2.624 2.633 1.00 0.00 O ATOM 466 CB VAL A 34 73.252 4.593 0.095 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.630 3.938 -0.053 1.00 0.00 C ATOM 468 CG2 VAL A 34 72.866 5.277 -1.222 1.00 0.00 C ATOM 0 H VAL A 34 71.241 4.561 2.064 1.00 0.00 H new ATOM 0 HA VAL A 34 71.857 3.062 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 34 73.306 5.334 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.365 4.695 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 34 74.917 3.478 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.589 3.175 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.628 6.009 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.789 4.529 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 34 71.906 5.779 -1.103 1.00 0.00 H new ATOM 478 N GLN A 35 73.106 1.342 0.829 1.00 0.00 N ATOM 479 CA GLN A 35 73.669 0.226 1.585 1.00 0.00 C ATOM 480 C GLN A 35 75.002 -0.196 0.976 1.00 0.00 C ATOM 481 O GLN A 35 75.329 0.189 -0.146 1.00 0.00 O ATOM 482 CB GLN A 35 72.711 -0.970 1.576 1.00 0.00 C ATOM 483 CG GLN A 35 71.258 -0.522 1.795 1.00 0.00 C ATOM 484 CD GLN A 35 70.455 -0.588 0.499 1.00 0.00 C ATOM 485 OE1 GLN A 35 69.520 -1.381 0.389 1.00 0.00 O ATOM 486 NE2 GLN A 35 70.767 0.196 -0.497 1.00 0.00 N ATOM 0 H GLN A 35 73.022 1.166 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 35 73.821 0.553 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.792 -1.497 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.998 -1.675 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.790 -1.156 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.244 0.497 2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 35 71.542 0.853 -0.406 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.236 0.152 -1.367 1.00 0.00 H new ATOM 495 N TRP A 36 75.814 -0.899 1.761 1.00 0.00 N ATOM 496 CA TRP A 36 77.114 -1.374 1.296 1.00 0.00 C ATOM 497 C TRP A 36 77.236 -2.883 1.471 1.00 0.00 C ATOM 498 O TRP A 36 76.612 -3.474 2.353 1.00 0.00 O ATOM 499 CB TRP A 36 78.240 -0.695 2.078 1.00 0.00 C ATOM 500 CG TRP A 36 78.041 0.788 2.053 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.009 1.447 2.630 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.860 1.805 1.406 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.147 2.800 2.391 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.264 3.072 1.628 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.029 1.752 0.631 1.00 0.00 C ATOM 506 CZ2 TRP A 36 78.827 4.246 1.115 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.648 2.932 0.198 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.021 4.171 0.387 1.00 0.00 C ATOM 0 H TRP A 36 75.594 -1.153 2.724 1.00 0.00 H new ATOM 0 HA TRP A 36 77.197 -1.126 0.238 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.250 -1.054 3.107 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.206 -0.950 1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.206 0.988 3.188 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.502 3.511 2.736 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.454 0.795 0.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.346 5.199 1.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.613 2.887 -0.284 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.458 5.067 -0.028 1.00 0.00 H new ATOM 519 N TYR A 37 78.095 -3.484 0.655 1.00 0.00 N ATOM 520 CA TYR A 37 78.305 -4.926 0.685 1.00 0.00 C ATOM 521 C TYR A 37 79.660 -5.264 0.074 1.00 0.00 C ATOM 522 O TYR A 37 80.176 -4.513 -0.752 1.00 0.00 O ATOM 523 CB TYR A 37 77.171 -5.673 -0.024 1.00 0.00 C ATOM 524 CG TYR A 37 77.391 -5.693 -1.517 1.00 0.00 C ATOM 525 CD1 TYR A 37 78.323 -6.571 -2.082 1.00 0.00 C ATOM 526 CD2 TYR A 37 76.682 -4.808 -2.334 1.00 0.00 C ATOM 527 CE1 TYR A 37 78.484 -6.617 -3.472 1.00 0.00 C ATOM 528 CE2 TYR A 37 76.859 -4.838 -3.722 1.00 0.00 C ATOM 529 CZ TYR A 37 77.710 -5.791 -4.296 1.00 0.00 C ATOM 530 OH TYR A 37 77.948 -5.766 -5.655 1.00 0.00 O ATOM 0 H TYR A 37 78.659 -2.992 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 37 78.300 -5.255 1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.111 -6.694 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 37 76.218 -5.194 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 37 78.917 -7.212 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.996 -4.100 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.206 -7.291 -3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 37 76.341 -4.128 -4.349 1.00 0.00 H new ATOM 0 HH TYR A 37 78.574 -5.041 -5.864 1.00 0.00 H new ATOM 540 N GLN A 38 80.226 -6.399 0.468 1.00 0.00 N ATOM 541 CA GLN A 38 81.543 -6.805 -0.015 1.00 0.00 C ATOM 542 C GLN A 38 81.396 -8.109 -0.794 1.00 0.00 C ATOM 543 O GLN A 38 80.579 -8.959 -0.441 1.00 0.00 O ATOM 544 CB GLN A 38 82.466 -7.008 1.197 1.00 0.00 C ATOM 545 CG GLN A 38 83.677 -6.070 1.173 1.00 0.00 C ATOM 546 CD GLN A 38 84.776 -6.625 0.273 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.613 -7.682 -0.336 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.956 -6.073 0.324 1.00 0.00 N ATOM 0 H GLN A 38 79.795 -7.055 1.120 1.00 0.00 H new ATOM 0 HA GLN A 38 81.970 -6.044 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.900 -6.842 2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.811 -8.042 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.373 -5.085 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 38 84.061 -5.939 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 38 86.088 -5.197 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.747 -6.517 -0.142 1.00 0.00 H new ATOM 557 N GLN A 39 82.176 -8.248 -1.864 1.00 0.00 N ATOM 558 CA GLN A 39 82.104 -9.440 -2.707 1.00 0.00 C ATOM 559 C GLN A 39 83.429 -10.193 -2.651 1.00 0.00 C ATOM 560 O GLN A 39 84.392 -9.812 -3.317 1.00 0.00 O ATOM 561 CB GLN A 39 81.788 -9.047 -4.158 1.00 0.00 C ATOM 562 CG GLN A 39 80.751 -9.998 -4.764 1.00 0.00 C ATOM 563 CD GLN A 39 80.739 -9.880 -6.283 1.00 0.00 C ATOM 564 OE1 GLN A 39 81.760 -9.560 -6.890 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.663 -10.213 -6.942 1.00 0.00 N ATOM 0 H GLN A 39 82.861 -7.555 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 39 81.308 -10.086 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 39 81.413 -8.024 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.701 -9.070 -4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 39 80.978 -11.024 -4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 39 79.762 -9.767 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 39 78.817 -10.478 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 39 79.668 -10.208 -7.962 1.00 0.00 H new ATOM 574 N ARG A 40 83.477 -11.253 -1.851 1.00 0.00 N ATOM 575 CA ARG A 40 84.672 -12.088 -1.772 1.00 0.00 C ATOM 576 C ARG A 40 84.669 -13.115 -2.903 1.00 0.00 C ATOM 577 O ARG A 40 83.631 -13.713 -3.182 1.00 0.00 O ATOM 578 CB ARG A 40 84.713 -12.782 -0.404 1.00 0.00 C ATOM 579 CG ARG A 40 85.736 -12.103 0.513 1.00 0.00 C ATOM 580 CD ARG A 40 85.854 -12.828 1.859 1.00 0.00 C ATOM 581 NE ARG A 40 87.229 -13.278 2.042 1.00 0.00 N ATOM 582 CZ ARG A 40 87.520 -14.320 2.815 1.00 0.00 C ATOM 583 NH1 ARG A 40 87.042 -15.500 2.525 1.00 0.00 N ATOM 584 NH2 ARG A 40 88.185 -14.142 3.922 1.00 0.00 N ATOM 0 H ARG A 40 82.708 -11.554 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 40 85.562 -11.468 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.726 -12.750 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 40 84.971 -13.833 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.709 -12.084 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 40 85.443 -11.067 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 40 85.566 -12.161 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 40 85.173 -13.679 1.888 1.00 0.00 H new ATOM 0 HE ARG A 40 87.984 -12.783 1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.446 -15.622 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 40 87.265 -16.300 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 40 88.481 -13.205 4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 40 88.409 -14.940 4.516 1.00 0.00 H new ATOM 598 N PRO A 41 85.800 -13.428 -3.483 1.00 0.00 N ATOM 599 CA PRO A 41 85.855 -14.422 -4.592 1.00 0.00 C ATOM 600 C PRO A 41 85.221 -15.745 -4.171 1.00 0.00 C ATOM 601 O PRO A 41 85.492 -16.256 -3.084 1.00 0.00 O ATOM 602 CB PRO A 41 87.346 -14.584 -4.924 1.00 0.00 C ATOM 603 CG PRO A 41 88.115 -13.705 -3.987 1.00 0.00 C ATOM 604 CD PRO A 41 87.121 -12.837 -3.209 1.00 0.00 C ATOM 0 HA PRO A 41 85.292 -14.091 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.653 -15.624 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.541 -14.304 -5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.708 -14.310 -3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.812 -13.078 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.342 -12.844 -2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.164 -11.798 -3.537 1.00 0.00 H new ATOM 612 N GLY A 42 84.367 -16.285 -5.036 1.00 0.00 N ATOM 613 CA GLY A 42 83.705 -17.553 -4.753 1.00 0.00 C ATOM 614 C GLY A 42 82.540 -17.356 -3.790 1.00 0.00 C ATOM 615 O GLY A 42 81.569 -18.113 -3.813 1.00 0.00 O ATOM 0 H GLY A 42 84.119 -15.867 -5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 42 83.343 -17.994 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 42 84.421 -18.254 -4.325 1.00 0.00 H new ATOM 619 N SER A 43 82.649 -16.344 -2.934 1.00 0.00 N ATOM 620 CA SER A 43 81.579 -16.014 -1.999 1.00 0.00 C ATOM 621 C SER A 43 80.566 -15.071 -2.639 1.00 0.00 C ATOM 622 O SER A 43 80.879 -14.370 -3.601 1.00 0.00 O ATOM 623 CB SER A 43 82.166 -15.356 -0.749 1.00 0.00 C ATOM 624 OG SER A 43 81.211 -15.396 0.301 1.00 0.00 O ATOM 0 H SER A 43 83.467 -15.739 -2.869 1.00 0.00 H new ATOM 0 HA SER A 43 81.070 -16.938 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 43 83.076 -15.873 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.442 -14.324 -0.964 1.00 0.00 H new ATOM 0 HG SER A 43 81.588 -14.976 1.102 1.00 0.00 H new ATOM 630 N SER A 44 79.386 -14.978 -2.032 1.00 0.00 N ATOM 631 CA SER A 44 78.338 -14.083 -2.517 1.00 0.00 C ATOM 632 C SER A 44 78.479 -12.704 -1.875 1.00 0.00 C ATOM 633 O SER A 44 79.399 -12.480 -1.090 1.00 0.00 O ATOM 634 CB SER A 44 76.971 -14.707 -2.212 1.00 0.00 C ATOM 635 OG SER A 44 76.144 -14.618 -3.362 1.00 0.00 O ATOM 0 H SER A 44 79.131 -15.512 -1.202 1.00 0.00 H new ATOM 0 HA SER A 44 78.431 -13.951 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.092 -15.750 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.503 -14.192 -1.373 1.00 0.00 H new ATOM 0 HG SER A 44 75.271 -15.018 -3.169 1.00 0.00 H new ATOM 641 N PRO A 45 77.608 -11.779 -2.185 1.00 0.00 N ATOM 642 CA PRO A 45 77.649 -10.417 -1.579 1.00 0.00 C ATOM 643 C PRO A 45 77.311 -10.457 -0.090 1.00 0.00 C ATOM 644 O PRO A 45 76.259 -10.968 0.298 1.00 0.00 O ATOM 645 CB PRO A 45 76.613 -9.605 -2.370 1.00 0.00 C ATOM 646 CG PRO A 45 76.134 -10.477 -3.488 1.00 0.00 C ATOM 647 CD PRO A 45 76.475 -11.921 -3.117 1.00 0.00 C ATOM 0 HA PRO A 45 78.644 -9.975 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 45 75.783 -9.310 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.057 -8.688 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.060 -10.361 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 45 76.614 -10.198 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.630 -12.425 -2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 45 76.748 -12.507 -3.995 1.00 0.00 H new ATOM 655 N THR A 46 78.138 -9.811 0.725 1.00 0.00 N ATOM 656 CA THR A 46 77.903 -9.733 2.164 1.00 0.00 C ATOM 657 C THR A 46 77.569 -8.299 2.568 1.00 0.00 C ATOM 658 O THR A 46 78.440 -7.429 2.552 1.00 0.00 O ATOM 659 CB THR A 46 79.151 -10.196 2.919 1.00 0.00 C ATOM 660 OG1 THR A 46 80.224 -9.303 2.658 1.00 0.00 O ATOM 661 CG2 THR A 46 79.537 -11.605 2.461 1.00 0.00 C ATOM 0 H THR A 46 78.982 -9.331 0.412 1.00 0.00 H new ATOM 0 HA THR A 46 77.063 -10.380 2.416 1.00 0.00 H new ATOM 0 HB THR A 46 78.941 -10.208 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 46 79.867 -8.413 2.454 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.426 -11.932 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.716 -12.292 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.745 -11.596 1.391 1.00 0.00 H new ATOM 669 N THR A 47 76.322 -8.062 2.964 1.00 0.00 N ATOM 670 CA THR A 47 75.920 -6.735 3.416 1.00 0.00 C ATOM 671 C THR A 47 76.939 -6.198 4.417 1.00 0.00 C ATOM 672 O THR A 47 77.031 -6.693 5.540 1.00 0.00 O ATOM 673 CB THR A 47 74.521 -6.801 4.038 1.00 0.00 C ATOM 674 OG1 THR A 47 73.560 -6.943 3.003 1.00 0.00 O ATOM 675 CG2 THR A 47 74.217 -5.527 4.832 1.00 0.00 C ATOM 0 H THR A 47 75.581 -8.762 2.981 1.00 0.00 H new ATOM 0 HA THR A 47 75.885 -6.055 2.565 1.00 0.00 H new ATOM 0 HB THR A 47 74.480 -7.653 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.662 -6.988 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.219 -5.597 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.951 -5.412 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.265 -4.664 4.168 1.00 0.00 H new ATOM 683 N VAL A 48 77.496 -5.033 4.099 1.00 0.00 N ATOM 684 CA VAL A 48 78.486 -4.409 4.970 1.00 0.00 C ATOM 685 C VAL A 48 77.795 -3.404 5.886 1.00 0.00 C ATOM 686 O VAL A 48 78.084 -3.350 7.081 1.00 0.00 O ATOM 687 CB VAL A 48 79.561 -3.706 4.129 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.306 -2.662 4.968 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.571 -4.731 3.607 1.00 0.00 C ATOM 0 H VAL A 48 77.281 -4.506 3.252 1.00 0.00 H new ATOM 0 HA VAL A 48 78.967 -5.177 5.576 1.00 0.00 H new ATOM 0 HB VAL A 48 79.067 -3.211 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.064 -2.175 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 48 79.599 -1.916 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.786 -3.151 5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.330 -4.223 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 48 81.047 -5.234 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.056 -5.466 2.989 1.00 0.00 H new ATOM 699 N ILE A 49 76.871 -2.622 5.334 1.00 0.00 N ATOM 700 CA ILE A 49 76.143 -1.634 6.124 1.00 0.00 C ATOM 701 C ILE A 49 74.683 -1.603 5.692 1.00 0.00 C ATOM 702 O ILE A 49 74.347 -2.020 4.584 1.00 0.00 O ATOM 703 CB ILE A 49 76.830 -0.269 5.970 1.00 0.00 C ATOM 704 CG1 ILE A 49 77.885 -0.133 7.072 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.861 0.919 6.033 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.669 1.173 6.933 1.00 0.00 C ATOM 0 H ILE A 49 76.610 -2.653 4.348 1.00 0.00 H new ATOM 0 HA ILE A 49 76.157 -1.899 7.181 1.00 0.00 H new ATOM 0 HB ILE A 49 77.280 -0.239 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.401 -0.167 8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.572 -0.978 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.418 1.849 5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.127 0.833 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.349 0.920 6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.410 1.239 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.173 1.194 5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 49 77.984 2.018 7.003 1.00 0.00 H new ATOM 718 N TYR A 50 73.898 -0.841 6.447 1.00 0.00 N ATOM 719 CA TYR A 50 72.499 -0.630 6.105 1.00 0.00 C ATOM 720 C TYR A 50 72.116 0.837 6.280 1.00 0.00 C ATOM 721 O TYR A 50 72.318 1.442 7.333 1.00 0.00 O ATOM 722 CB TYR A 50 71.639 -1.538 6.989 1.00 0.00 C ATOM 723 CG TYR A 50 70.184 -1.133 6.933 1.00 0.00 C ATOM 724 CD1 TYR A 50 69.525 -1.022 5.701 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.481 -0.900 8.122 1.00 0.00 C ATOM 726 CE1 TYR A 50 68.177 -0.650 5.658 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.135 -0.520 8.078 1.00 0.00 C ATOM 728 CZ TYR A 50 67.486 -0.385 6.846 1.00 0.00 C ATOM 729 OH TYR A 50 66.157 -0.017 6.802 1.00 0.00 O ATOM 0 H TYR A 50 74.206 -0.363 7.294 1.00 0.00 H new ATOM 0 HA TYR A 50 72.331 -0.882 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 50 71.744 -2.573 6.664 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.994 -1.490 8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 50 70.058 -1.224 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.978 -1.014 9.074 1.00 0.00 H new ATOM 0 HE1 TYR A 50 67.670 -0.567 4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.597 -0.331 8.995 1.00 0.00 H new ATOM 0 HH TYR A 50 65.828 0.129 7.713 1.00 0.00 H new ATOM 739 N GLU A 51 71.447 1.342 5.249 1.00 0.00 N ATOM 740 CA GLU A 51 70.914 2.699 5.230 1.00 0.00 C ATOM 741 C GLU A 51 72.045 3.720 5.298 1.00 0.00 C ATOM 742 O GLU A 51 71.832 4.881 5.643 1.00 0.00 O ATOM 743 CB GLU A 51 69.964 2.873 6.422 1.00 0.00 C ATOM 744 CG GLU A 51 68.757 3.728 6.027 1.00 0.00 C ATOM 745 CD GLU A 51 67.718 2.875 5.305 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.107 1.891 4.698 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.546 3.202 5.400 1.00 0.00 O ATOM 0 H GLU A 51 71.258 0.816 4.396 1.00 0.00 H new ATOM 0 HA GLU A 51 70.370 2.864 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.627 1.897 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 51 70.494 3.342 7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.314 4.177 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 51 69.078 4.546 5.382 1.00 0.00 H new ATOM 754 N ASP A 52 73.242 3.282 4.926 1.00 0.00 N ATOM 755 CA ASP A 52 74.404 4.162 4.897 1.00 0.00 C ATOM 756 C ASP A 52 74.471 4.977 6.183 1.00 0.00 C ATOM 757 O ASP A 52 75.146 6.004 6.242 1.00 0.00 O ATOM 758 CB ASP A 52 74.344 5.097 3.692 1.00 0.00 C ATOM 759 CG ASP A 52 75.732 5.640 3.360 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.289 6.337 4.192 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.254 5.283 2.317 1.00 0.00 O ATOM 0 H ASP A 52 73.433 2.322 4.640 1.00 0.00 H new ATOM 0 HA ASP A 52 75.300 3.547 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.941 4.563 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.665 5.924 3.900 1.00 0.00 H new ATOM 766 N ASN A 53 73.771 4.512 7.212 1.00 0.00 N ATOM 767 CA ASN A 53 73.713 5.214 8.490 1.00 0.00 C ATOM 768 C ASN A 53 74.421 4.413 9.576 1.00 0.00 C ATOM 769 O ASN A 53 75.088 4.976 10.443 1.00 0.00 O ATOM 770 CB ASN A 53 72.259 5.483 8.887 1.00 0.00 C ATOM 771 CG ASN A 53 71.639 6.495 7.930 1.00 0.00 C ATOM 772 OD1 ASN A 53 72.161 7.598 7.765 1.00 0.00 O ATOM 773 ND2 ASN A 53 70.577 6.171 7.245 1.00 0.00 N ATOM 0 H ASN A 53 73.232 3.646 7.186 1.00 0.00 H new ATOM 0 HA ASN A 53 74.225 6.170 8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.689 4.554 8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.216 5.861 9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 53 70.181 6.831 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 53 70.142 5.258 7.379 1.00 0.00 H new ATOM 780 N GLN A 54 74.193 3.103 9.575 1.00 0.00 N ATOM 781 CA GLN A 54 74.778 2.231 10.585 1.00 0.00 C ATOM 782 C GLN A 54 74.776 0.788 10.089 1.00 0.00 C ATOM 783 O GLN A 54 74.269 0.500 9.005 1.00 0.00 O ATOM 784 CB GLN A 54 73.999 2.361 11.899 1.00 0.00 C ATOM 785 CG GLN A 54 72.545 2.748 11.614 1.00 0.00 C ATOM 786 CD GLN A 54 71.688 2.582 12.865 1.00 0.00 C ATOM 787 OE1 GLN A 54 70.526 2.985 12.878 1.00 0.00 O ATOM 788 NE2 GLN A 54 72.173 1.963 13.906 1.00 0.00 N ATOM 0 H GLN A 54 73.610 2.625 8.889 1.00 0.00 H new ATOM 0 HA GLN A 54 75.811 2.528 10.768 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.032 1.418 12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.466 3.114 12.534 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.499 3.781 11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.149 2.127 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 54 73.136 1.628 13.897 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.589 1.814 14.729 1.00 0.00 H new ATOM 797 N ARG A 55 75.111 -0.138 10.984 1.00 0.00 N ATOM 798 CA ARG A 55 75.165 -1.559 10.653 1.00 0.00 C ATOM 799 C ARG A 55 74.403 -2.357 11.709 1.00 0.00 C ATOM 800 O ARG A 55 74.411 -1.972 12.879 1.00 0.00 O ATOM 801 CB ARG A 55 76.627 -2.014 10.609 1.00 0.00 C ATOM 802 CG ARG A 55 77.211 -2.085 12.026 1.00 0.00 C ATOM 803 CD ARG A 55 78.738 -1.927 12.032 1.00 0.00 C ATOM 804 NE ARG A 55 79.101 -0.695 12.726 1.00 0.00 N ATOM 805 CZ ARG A 55 79.954 0.183 12.209 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.665 0.790 11.091 1.00 0.00 N ATOM 807 NH2 ARG A 55 81.062 0.464 12.836 1.00 0.00 N ATOM 0 H ARG A 55 75.351 0.073 11.953 1.00 0.00 H new ATOM 0 HA ARG A 55 74.706 -1.727 9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.695 -2.992 10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.211 -1.322 10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.764 -1.304 12.641 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.944 -3.040 12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.200 -2.783 12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.115 -1.905 11.010 1.00 0.00 H new ATOM 0 HE ARG A 55 78.686 -0.502 13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 55 78.785 0.590 10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 55 80.319 1.464 10.693 1.00 0.00 H new ATOM 0 HH21 ARG A 55 81.275 0.010 13.724 1.00 0.00 H new ATOM 0 HH22 ARG A 55 81.716 1.138 12.438 1.00 0.00 H new ATOM 821 N PRO A 56 73.867 -3.502 11.379 1.00 0.00 N ATOM 822 CA PRO A 56 73.084 -4.302 12.362 1.00 0.00 C ATOM 823 C PRO A 56 73.911 -4.594 13.611 1.00 0.00 C ATOM 824 O PRO A 56 75.127 -4.406 13.603 1.00 0.00 O ATOM 825 CB PRO A 56 72.710 -5.591 11.614 1.00 0.00 C ATOM 826 CG PRO A 56 73.329 -5.509 10.255 1.00 0.00 C ATOM 827 CD PRO A 56 73.732 -4.051 10.020 1.00 0.00 C ATOM 0 HA PRO A 56 72.199 -3.772 12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 56 73.075 -6.467 12.151 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.627 -5.692 11.538 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.199 -6.162 10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.624 -5.840 9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.667 -3.979 9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.977 -3.515 9.445 1.00 0.00 H new ATOM 835 N SER A 57 73.235 -4.842 14.728 1.00 0.00 N ATOM 836 CA SER A 57 73.933 -5.192 15.959 1.00 0.00 C ATOM 837 C SER A 57 74.549 -6.583 15.840 1.00 0.00 C ATOM 838 O SER A 57 73.868 -7.532 15.452 1.00 0.00 O ATOM 839 CB SER A 57 72.979 -5.125 17.155 1.00 0.00 C ATOM 840 OG SER A 57 73.666 -4.574 18.269 1.00 0.00 O ATOM 0 H SER A 57 72.219 -4.808 14.806 1.00 0.00 H new ATOM 0 HA SER A 57 74.734 -4.471 16.121 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.111 -4.514 16.909 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.609 -6.121 17.397 1.00 0.00 H new ATOM 0 HG SER A 57 73.059 -4.527 19.037 1.00 0.00 H new ATOM 846 N GLY A 58 75.758 -6.738 16.369 1.00 0.00 N ATOM 847 CA GLY A 58 76.409 -8.042 16.420 1.00 0.00 C ATOM 848 C GLY A 58 77.476 -8.168 15.337 1.00 0.00 C ATOM 849 O GLY A 58 78.560 -8.693 15.590 1.00 0.00 O ATOM 0 H GLY A 58 76.307 -5.977 16.769 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.863 -8.187 17.400 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.665 -8.828 16.294 1.00 0.00 H new ATOM 853 N VAL A 59 77.220 -7.592 14.166 1.00 0.00 N ATOM 854 CA VAL A 59 78.191 -7.663 13.079 1.00 0.00 C ATOM 855 C VAL A 59 79.399 -6.782 13.391 1.00 0.00 C ATOM 856 O VAL A 59 79.256 -5.754 14.051 1.00 0.00 O ATOM 857 CB VAL A 59 77.545 -7.219 11.762 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.732 -8.367 11.158 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.621 -6.026 12.017 1.00 0.00 C ATOM 0 H VAL A 59 76.365 -7.080 13.947 1.00 0.00 H new ATOM 0 HA VAL A 59 78.525 -8.696 12.978 1.00 0.00 H new ATOM 0 HB VAL A 59 78.332 -6.932 11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.278 -8.039 10.223 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.388 -9.215 10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.950 -8.665 11.856 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.163 -5.713 11.078 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.842 -6.314 12.722 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.199 -5.200 12.432 1.00 0.00 H new ATOM 869 N PRO A 60 80.534 -7.048 12.797 1.00 0.00 N ATOM 870 CA PRO A 60 81.771 -6.278 13.109 1.00 0.00 C ATOM 871 C PRO A 60 81.591 -4.795 12.798 1.00 0.00 C ATOM 872 O PRO A 60 80.724 -4.425 12.006 1.00 0.00 O ATOM 873 CB PRO A 60 82.864 -6.909 12.234 1.00 0.00 C ATOM 874 CG PRO A 60 82.213 -7.985 11.422 1.00 0.00 C ATOM 875 CD PRO A 60 80.853 -8.281 12.057 1.00 0.00 C ATOM 0 HA PRO A 60 82.026 -6.326 14.168 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.319 -6.160 11.586 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.661 -7.322 12.852 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.091 -7.664 10.387 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.832 -8.882 11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.098 -8.501 11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.901 -9.145 12.720 1.00 0.00 H new ATOM 883 N ASP A 61 82.355 -3.953 13.488 1.00 0.00 N ATOM 884 CA ASP A 61 82.305 -2.506 13.292 1.00 0.00 C ATOM 885 C ASP A 61 83.560 -2.013 12.575 1.00 0.00 C ATOM 886 O ASP A 61 83.985 -0.871 12.758 1.00 0.00 O ATOM 887 CB ASP A 61 82.124 -1.799 14.640 1.00 0.00 C ATOM 888 CG ASP A 61 82.733 -2.636 15.760 1.00 0.00 C ATOM 889 OD1 ASP A 61 83.947 -2.758 15.789 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.973 -3.178 16.545 1.00 0.00 O ATOM 0 H ASP A 61 83.025 -4.252 14.197 1.00 0.00 H new ATOM 0 HA ASP A 61 81.449 -2.267 12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.598 -0.818 14.611 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.064 -1.635 14.834 1.00 0.00 H new ATOM 895 N ARG A 62 84.151 -2.873 11.752 1.00 0.00 N ATOM 896 CA ARG A 62 85.358 -2.501 11.024 1.00 0.00 C ATOM 897 C ARG A 62 85.045 -1.503 9.915 1.00 0.00 C ATOM 898 O ARG A 62 85.935 -0.783 9.463 1.00 0.00 O ATOM 899 CB ARG A 62 86.001 -3.743 10.407 1.00 0.00 C ATOM 900 CG ARG A 62 86.470 -4.680 11.521 1.00 0.00 C ATOM 901 CD ARG A 62 87.198 -5.875 10.902 1.00 0.00 C ATOM 902 NE ARG A 62 86.259 -6.704 10.150 1.00 0.00 N ATOM 903 CZ ARG A 62 86.438 -6.973 8.859 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.638 -7.211 8.406 1.00 0.00 N ATOM 905 NH2 ARG A 62 85.428 -6.925 8.034 1.00 0.00 N ATOM 0 H ARG A 62 83.819 -3.821 11.574 1.00 0.00 H new ATOM 0 HA ARG A 62 86.045 -2.038 11.732 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.285 -4.255 9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.845 -3.455 9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 62 87.133 -4.149 12.204 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.617 -5.023 12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 62 87.993 -5.525 10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 62 87.671 -6.467 11.685 1.00 0.00 H new ATOM 0 HE ARG A 62 85.443 -7.087 10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 62 88.436 -7.191 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.778 -7.417 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 62 84.499 -6.681 8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 62 85.567 -7.131 7.045 1.00 0.00 H new ATOM 919 N PHE A 63 83.786 -1.462 9.485 1.00 0.00 N ATOM 920 CA PHE A 63 83.360 -0.595 8.388 1.00 0.00 C ATOM 921 C PHE A 63 82.338 0.422 8.883 1.00 0.00 C ATOM 922 O PHE A 63 81.657 0.191 9.881 1.00 0.00 O ATOM 923 CB PHE A 63 82.783 -1.431 7.239 1.00 0.00 C ATOM 924 CG PHE A 63 82.248 -2.736 7.778 1.00 0.00 C ATOM 925 CD1 PHE A 63 81.181 -2.733 8.686 1.00 0.00 C ATOM 926 CD2 PHE A 63 82.779 -3.952 7.329 1.00 0.00 C ATOM 927 CE1 PHE A 63 80.660 -3.943 9.159 1.00 0.00 C ATOM 928 CE2 PHE A 63 82.262 -5.161 7.808 1.00 0.00 C ATOM 929 CZ PHE A 63 81.214 -5.157 8.736 1.00 0.00 C ATOM 0 H PHE A 63 83.035 -2.026 9.884 1.00 0.00 H new ATOM 0 HA PHE A 63 84.228 -0.053 8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.987 -0.879 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 63 83.554 -1.623 6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 63 80.760 -1.797 9.021 1.00 0.00 H new ATOM 0 HD2 PHE A 63 83.588 -3.956 6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 63 79.830 -3.940 9.850 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.672 -6.098 7.461 1.00 0.00 H new ATOM 0 HZ PHE A 63 80.833 -6.090 9.125 1.00 0.00 H new ATOM 939 N SER A 64 82.287 1.572 8.215 1.00 0.00 N ATOM 940 CA SER A 64 81.355 2.631 8.594 1.00 0.00 C ATOM 941 C SER A 64 80.814 3.347 7.361 1.00 0.00 C ATOM 942 O SER A 64 81.438 3.320 6.303 1.00 0.00 O ATOM 943 CB SER A 64 82.052 3.631 9.522 1.00 0.00 C ATOM 944 OG SER A 64 81.112 4.144 10.455 1.00 0.00 O ATOM 0 H SER A 64 82.877 1.794 7.413 1.00 0.00 H new ATOM 0 HA SER A 64 80.514 2.179 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.874 3.144 10.047 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.484 4.445 8.939 1.00 0.00 H new ATOM 0 HG SER A 64 81.557 4.783 11.050 1.00 0.00 H new ATOM 950 N GLY A 65 79.587 3.849 7.460 1.00 0.00 N ATOM 951 CA GLY A 65 78.932 4.521 6.342 1.00 0.00 C ATOM 952 C GLY A 65 78.666 5.986 6.671 1.00 0.00 C ATOM 953 O GLY A 65 78.319 6.328 7.801 1.00 0.00 O ATOM 0 H GLY A 65 79.023 3.803 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.558 4.451 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.992 4.019 6.110 1.00 0.00 H new ATOM 957 N SER A 66 78.796 6.845 5.665 1.00 0.00 N ATOM 958 CA SER A 66 78.550 8.271 5.848 1.00 0.00 C ATOM 959 C SER A 66 77.984 8.880 4.570 1.00 0.00 C ATOM 960 O SER A 66 78.243 8.395 3.468 1.00 0.00 O ATOM 961 CB SER A 66 79.849 8.987 6.219 1.00 0.00 C ATOM 962 OG SER A 66 79.553 10.292 6.695 1.00 0.00 O ATOM 0 H SER A 66 79.069 6.580 4.719 1.00 0.00 H new ATOM 0 HA SER A 66 77.827 8.394 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.382 8.422 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.505 9.046 5.350 1.00 0.00 H new ATOM 0 HG SER A 66 80.386 10.750 6.934 1.00 0.00 H new ATOM 968 N ILE A 67 77.144 9.897 4.738 1.00 0.00 N ATOM 969 CA ILE A 67 76.481 10.548 3.614 1.00 0.00 C ATOM 970 C ILE A 67 76.732 12.051 3.647 1.00 0.00 C ATOM 971 O ILE A 67 76.864 12.649 4.715 1.00 0.00 O ATOM 972 CB ILE A 67 74.973 10.290 3.663 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.358 10.796 4.973 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.686 8.802 3.449 1.00 0.00 C ATOM 975 CD1 ILE A 67 74.866 10.050 6.211 1.00 0.00 C ATOM 0 H ILE A 67 76.906 10.290 5.649 1.00 0.00 H new ATOM 0 HA ILE A 67 76.890 10.133 2.693 1.00 0.00 H new ATOM 0 HB ILE A 67 74.504 10.851 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.577 11.858 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 67 73.274 10.698 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.610 8.630 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.070 8.494 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.173 8.221 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 67 74.390 10.459 7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 67 74.623 8.991 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 67 75.947 10.169 6.289 1.00 0.00 H new ATOM 987 N ASP A 68 76.854 12.645 2.465 1.00 0.00 N ATOM 988 CA ASP A 68 77.126 14.073 2.340 1.00 0.00 C ATOM 989 C ASP A 68 76.063 14.753 1.488 1.00 0.00 C ATOM 990 O ASP A 68 76.314 15.093 0.333 1.00 0.00 O ATOM 991 CB ASP A 68 78.479 14.271 1.661 1.00 0.00 C ATOM 992 CG ASP A 68 79.583 13.626 2.493 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.637 13.895 3.681 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.363 12.876 1.930 1.00 0.00 O ATOM 0 H ASP A 68 76.768 12.156 1.574 1.00 0.00 H new ATOM 0 HA ASP A 68 77.124 14.510 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.461 13.832 0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.680 15.335 1.538 1.00 0.00 H new ATOM 999 N SER A 69 74.964 15.140 2.124 1.00 0.00 N ATOM 1000 CA SER A 69 73.890 15.809 1.401 1.00 0.00 C ATOM 1001 C SER A 69 74.437 17.001 0.623 1.00 0.00 C ATOM 1002 O SER A 69 73.857 17.421 -0.376 1.00 0.00 O ATOM 1003 CB SER A 69 72.816 16.262 2.394 1.00 0.00 C ATOM 1004 OG SER A 69 72.707 15.303 3.436 1.00 0.00 O ATOM 0 H SER A 69 74.794 15.006 3.121 1.00 0.00 H new ATOM 0 HA SER A 69 73.447 15.114 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 69 73.074 17.237 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.858 16.374 1.886 1.00 0.00 H new ATOM 0 HG SER A 69 72.022 15.590 4.075 1.00 0.00 H new ATOM 1010 N SER A 70 75.540 17.562 1.112 1.00 0.00 N ATOM 1011 CA SER A 70 76.146 18.729 0.478 1.00 0.00 C ATOM 1012 C SER A 70 77.100 18.320 -0.641 1.00 0.00 C ATOM 1013 O SER A 70 77.031 18.851 -1.749 1.00 0.00 O ATOM 1014 CB SER A 70 76.926 19.523 1.527 1.00 0.00 C ATOM 1015 OG SER A 70 76.196 19.557 2.745 1.00 0.00 O ATOM 0 H SER A 70 76.031 17.229 1.942 1.00 0.00 H new ATOM 0 HA SER A 70 75.349 19.336 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.902 19.067 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.104 20.538 1.170 1.00 0.00 H new ATOM 0 HG SER A 70 76.700 20.065 3.414 1.00 0.00 H new ATOM 1021 N SER A 71 78.017 17.409 -0.334 1.00 0.00 N ATOM 1022 CA SER A 71 79.033 17.023 -1.304 1.00 0.00 C ATOM 1023 C SER A 71 78.421 16.086 -2.340 1.00 0.00 C ATOM 1024 O SER A 71 79.131 15.474 -3.139 1.00 0.00 O ATOM 1025 CB SER A 71 80.205 16.332 -0.603 1.00 0.00 C ATOM 1026 OG SER A 71 81.361 16.419 -1.423 1.00 0.00 O ATOM 0 H SER A 71 78.078 16.931 0.565 1.00 0.00 H new ATOM 0 HA SER A 71 79.405 17.919 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.394 16.802 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.962 15.288 -0.407 1.00 0.00 H new ATOM 0 HG SER A 71 81.139 16.132 -2.333 1.00 0.00 H new ATOM 1032 N ASN A 72 77.136 15.807 -2.153 1.00 0.00 N ATOM 1033 CA ASN A 72 76.418 14.928 -3.070 1.00 0.00 C ATOM 1034 C ASN A 72 77.216 13.653 -3.329 1.00 0.00 C ATOM 1035 O ASN A 72 77.210 13.125 -4.441 1.00 0.00 O ATOM 1036 CB ASN A 72 76.131 15.638 -4.396 1.00 0.00 C ATOM 1037 CG ASN A 72 75.016 14.925 -5.156 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.840 15.217 -4.941 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.305 13.997 -6.028 1.00 0.00 N ATOM 0 H ASN A 72 76.574 16.172 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 72 75.469 14.663 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.845 16.673 -4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.035 15.663 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.557 13.517 -6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.279 13.752 -6.209 1.00 0.00 H new ATOM 1046 N SER A 73 77.896 13.156 -2.298 1.00 0.00 N ATOM 1047 CA SER A 73 78.679 11.930 -2.422 1.00 0.00 C ATOM 1048 C SER A 73 78.647 11.133 -1.120 1.00 0.00 C ATOM 1049 O SER A 73 78.568 11.711 -0.037 1.00 0.00 O ATOM 1050 CB SER A 73 80.127 12.291 -2.760 1.00 0.00 C ATOM 1051 OG SER A 73 80.843 12.550 -1.562 1.00 0.00 O ATOM 0 H SER A 73 77.920 13.582 -1.371 1.00 0.00 H new ATOM 0 HA SER A 73 78.249 11.318 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.598 11.475 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.153 13.167 -3.408 1.00 0.00 H new ATOM 0 HG SER A 73 81.771 12.780 -1.779 1.00 0.00 H new ATOM 1057 N ALA A 74 78.739 9.808 -1.195 1.00 0.00 N ATOM 1058 CA ALA A 74 78.663 8.985 0.008 1.00 0.00 C ATOM 1059 C ALA A 74 80.070 8.522 0.370 1.00 0.00 C ATOM 1060 O ALA A 74 80.895 8.312 -0.518 1.00 0.00 O ATOM 1061 CB ALA A 74 77.749 7.777 -0.244 1.00 0.00 C ATOM 0 H ALA A 74 78.865 9.287 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 74 78.246 9.563 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.696 7.166 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.750 8.125 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.151 7.181 -1.063 1.00 0.00 H new ATOM 1067 N SER A 75 80.332 8.349 1.663 1.00 0.00 N ATOM 1068 CA SER A 75 81.667 7.976 2.125 1.00 0.00 C ATOM 1069 C SER A 75 81.591 7.018 3.309 1.00 0.00 C ATOM 1070 O SER A 75 80.650 7.088 4.100 1.00 0.00 O ATOM 1071 CB SER A 75 82.457 9.218 2.543 1.00 0.00 C ATOM 1072 OG SER A 75 82.267 10.253 1.590 1.00 0.00 O ATOM 0 H SER A 75 79.642 8.460 2.406 1.00 0.00 H new ATOM 0 HA SER A 75 82.172 7.480 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.131 9.553 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.517 8.976 2.624 1.00 0.00 H new ATOM 0 HG SER A 75 81.642 10.917 1.949 1.00 0.00 H new ATOM 1078 N LEU A 76 82.377 5.947 3.225 1.00 0.00 N ATOM 1079 CA LEU A 76 82.455 4.949 4.290 1.00 0.00 C ATOM 1080 C LEU A 76 83.828 4.999 4.956 1.00 0.00 C ATOM 1081 O LEU A 76 84.847 5.067 4.273 1.00 0.00 O ATOM 1082 CB LEU A 76 82.115 3.570 3.704 1.00 0.00 C ATOM 1083 CG LEU A 76 83.070 2.450 4.148 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.384 1.099 3.918 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.405 2.518 3.391 1.00 0.00 C ATOM 0 H LEU A 76 82.974 5.747 2.423 1.00 0.00 H new ATOM 0 HA LEU A 76 81.728 5.161 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.099 3.304 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.129 3.635 2.616 1.00 0.00 H new ATOM 0 HG LEU A 76 83.297 2.574 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.051 0.295 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.464 1.054 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.148 0.986 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.056 1.712 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.223 2.413 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.884 3.478 3.584 1.00 0.00 H new ATOM 1097 N THR A 77 83.856 4.987 6.286 1.00 0.00 N ATOM 1098 CA THR A 77 85.115 4.936 7.027 1.00 0.00 C ATOM 1099 C THR A 77 85.345 3.545 7.610 1.00 0.00 C ATOM 1100 O THR A 77 84.485 3.001 8.303 1.00 0.00 O ATOM 1101 CB THR A 77 85.090 5.964 8.162 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.607 7.202 7.659 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.498 6.157 8.729 1.00 0.00 C ATOM 0 H THR A 77 83.022 5.012 6.873 1.00 0.00 H new ATOM 0 HA THR A 77 85.928 5.166 6.338 1.00 0.00 H new ATOM 0 HB THR A 77 84.436 5.606 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.587 7.863 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.468 6.890 9.535 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.868 5.207 9.115 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.162 6.511 7.941 1.00 0.00 H new ATOM 1111 N ILE A 78 86.503 2.967 7.300 1.00 0.00 N ATOM 1112 CA ILE A 78 86.869 1.638 7.784 1.00 0.00 C ATOM 1113 C ILE A 78 88.022 1.744 8.777 1.00 0.00 C ATOM 1114 O ILE A 78 88.996 2.452 8.528 1.00 0.00 O ATOM 1115 CB ILE A 78 87.256 0.773 6.578 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.021 0.114 5.953 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.262 -0.321 6.954 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.336 -0.290 4.510 1.00 0.00 C ATOM 0 H ILE A 78 87.211 3.404 6.709 1.00 0.00 H new ATOM 0 HA ILE A 78 86.028 1.177 8.302 1.00 0.00 H new ATOM 0 HB ILE A 78 87.721 1.444 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.730 -0.762 6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.177 0.804 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.508 -0.909 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.169 0.138 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.826 -0.971 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.459 -0.759 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.606 0.596 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.167 -0.995 4.503 1.00 0.00 H new ATOM 1130 N SER A 79 88.000 0.885 9.794 1.00 0.00 N ATOM 1131 CA SER A 79 89.063 0.847 10.794 1.00 0.00 C ATOM 1132 C SER A 79 89.437 -0.594 11.125 1.00 0.00 C ATOM 1133 O SER A 79 88.594 -1.490 11.095 1.00 0.00 O ATOM 1134 CB SER A 79 88.605 1.583 12.058 1.00 0.00 C ATOM 1135 OG SER A 79 87.197 1.458 12.186 1.00 0.00 O ATOM 0 H SER A 79 87.255 0.205 9.947 1.00 0.00 H new ATOM 0 HA SER A 79 89.946 1.343 10.391 1.00 0.00 H new ATOM 0 HB2 SER A 79 89.100 1.167 12.935 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.885 2.635 12.003 1.00 0.00 H new ATOM 0 HG SER A 79 86.899 1.926 12.994 1.00 0.00 H new ATOM 1141 N GLY A 80 90.697 -0.787 11.502 1.00 0.00 N ATOM 1142 CA GLY A 80 91.174 -2.098 11.925 1.00 0.00 C ATOM 1143 C GLY A 80 90.957 -3.142 10.834 1.00 0.00 C ATOM 1144 O GLY A 80 90.474 -4.241 11.107 1.00 0.00 O ATOM 0 H GLY A 80 91.405 -0.053 11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.234 -2.040 12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.652 -2.402 12.832 1.00 0.00 H new ATOM 1148 N LEU A 81 91.182 -2.745 9.586 1.00 0.00 N ATOM 1149 CA LEU A 81 90.963 -3.648 8.463 1.00 0.00 C ATOM 1150 C LEU A 81 92.069 -4.694 8.389 1.00 0.00 C ATOM 1151 O LEU A 81 93.230 -4.402 8.678 1.00 0.00 O ATOM 1152 CB LEU A 81 90.882 -2.869 7.148 1.00 0.00 C ATOM 1153 CG LEU A 81 92.212 -2.190 6.807 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.103 -1.637 5.386 1.00 0.00 C ATOM 1155 CD2 LEU A 81 92.525 -1.058 7.792 1.00 0.00 C ATOM 0 H LEU A 81 91.512 -1.815 9.329 1.00 0.00 H new ATOM 0 HA LEU A 81 90.013 -4.158 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 81 90.602 -3.546 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.097 -2.116 7.219 1.00 0.00 H new ATOM 0 HG LEU A 81 93.023 -2.915 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 81 93.037 -1.146 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 81 91.907 -2.454 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.287 -0.916 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 81 93.475 -0.595 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 81 91.733 -0.311 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 81 92.590 -1.462 8.802 1.00 0.00 H new ATOM 1167 N LYS A 82 91.710 -5.898 7.952 1.00 0.00 N ATOM 1168 CA LYS A 82 92.663 -6.999 7.845 1.00 0.00 C ATOM 1169 C LYS A 82 92.407 -7.766 6.551 1.00 0.00 C ATOM 1170 O LYS A 82 91.386 -7.557 5.898 1.00 0.00 O ATOM 1171 CB LYS A 82 92.498 -7.938 9.042 1.00 0.00 C ATOM 1172 CG LYS A 82 92.579 -7.142 10.347 1.00 0.00 C ATOM 1173 CD LYS A 82 92.364 -8.070 11.545 1.00 0.00 C ATOM 1174 CE LYS A 82 90.919 -8.577 11.589 1.00 0.00 C ATOM 1175 NZ LYS A 82 90.587 -8.967 12.987 1.00 0.00 N ATOM 0 H LYS A 82 90.761 -6.137 7.665 1.00 0.00 H new ATOM 0 HA LYS A 82 93.678 -6.603 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.540 -8.454 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.274 -8.703 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.551 -6.655 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.826 -6.354 10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.049 -8.916 11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 82 92.596 -7.539 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 82 90.237 -7.801 11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 82 90.798 -9.430 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 89.607 -9.313 13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 91.233 -9.719 13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 90.689 -8.141 13.611 1.00 0.00 H new ATOM 1189 N THR A 83 93.304 -8.679 6.194 1.00 0.00 N ATOM 1190 CA THR A 83 93.137 -9.461 4.973 1.00 0.00 C ATOM 1191 C THR A 83 91.728 -10.030 4.880 1.00 0.00 C ATOM 1192 O THR A 83 91.194 -10.231 3.790 1.00 0.00 O ATOM 1193 CB THR A 83 94.159 -10.600 4.948 1.00 0.00 C ATOM 1194 OG1 THR A 83 93.910 -11.475 6.038 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.570 -10.020 5.076 1.00 0.00 C ATOM 0 H THR A 83 94.147 -8.895 6.727 1.00 0.00 H new ATOM 0 HA THR A 83 93.299 -8.805 4.118 1.00 0.00 H new ATOM 0 HB THR A 83 94.074 -11.148 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.561 -12.207 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.299 -10.830 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.761 -9.341 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.656 -9.475 6.016 1.00 0.00 H new ATOM 1203 N GLU A 84 91.121 -10.238 6.040 1.00 0.00 N ATOM 1204 CA GLU A 84 89.759 -10.752 6.084 1.00 0.00 C ATOM 1205 C GLU A 84 88.842 -9.858 5.256 1.00 0.00 C ATOM 1206 O GLU A 84 87.712 -10.232 4.940 1.00 0.00 O ATOM 1207 CB GLU A 84 89.267 -10.806 7.532 1.00 0.00 C ATOM 1208 CG GLU A 84 88.046 -11.724 7.632 1.00 0.00 C ATOM 1209 CD GLU A 84 87.480 -11.689 9.048 1.00 0.00 C ATOM 1210 OE1 GLU A 84 87.813 -10.768 9.775 1.00 0.00 O ATOM 1211 OE2 GLU A 84 86.707 -12.573 9.378 1.00 0.00 O ATOM 0 H GLU A 84 91.543 -10.062 6.952 1.00 0.00 H new ATOM 0 HA GLU A 84 89.745 -11.759 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.062 -11.171 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 84 89.009 -9.804 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.284 -11.408 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 84 88.325 -12.744 7.369 1.00 0.00 H new ATOM 1218 N ASP A 85 89.354 -8.691 4.875 1.00 0.00 N ATOM 1219 CA ASP A 85 88.606 -7.759 4.037 1.00 0.00 C ATOM 1220 C ASP A 85 89.122 -7.786 2.601 1.00 0.00 C ATOM 1221 O ASP A 85 88.367 -7.496 1.674 1.00 0.00 O ATOM 1222 CB ASP A 85 88.711 -6.342 4.612 1.00 0.00 C ATOM 1223 CG ASP A 85 87.682 -6.110 5.715 1.00 0.00 C ATOM 1224 OD1 ASP A 85 86.647 -6.754 5.685 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.898 -5.213 6.513 1.00 0.00 O ATOM 0 H ASP A 85 90.286 -8.368 5.134 1.00 0.00 H new ATOM 0 HA ASP A 85 87.560 -8.064 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.714 -6.182 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.563 -5.613 3.815 1.00 0.00 H new ATOM 1230 N GLU A 86 90.392 -8.135 2.408 1.00 0.00 N ATOM 1231 CA GLU A 86 90.954 -8.206 1.063 1.00 0.00 C ATOM 1232 C GLU A 86 89.955 -8.796 0.073 1.00 0.00 C ATOM 1233 O GLU A 86 89.798 -10.015 0.003 1.00 0.00 O ATOM 1234 CB GLU A 86 92.215 -9.074 1.077 1.00 0.00 C ATOM 1235 CG GLU A 86 92.880 -9.049 -0.302 1.00 0.00 C ATOM 1236 CD GLU A 86 94.159 -9.879 -0.278 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.287 -10.702 0.613 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.970 -9.710 -1.174 1.00 0.00 O ATOM 0 H GLU A 86 91.044 -8.370 3.156 1.00 0.00 H new ATOM 0 HA GLU A 86 91.197 -7.191 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.910 -8.708 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.959 -10.098 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.195 -9.443 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.108 -8.022 -0.586 1.00 0.00 H new ATOM 1245 N ALA A 87 89.341 -7.935 -0.732 1.00 0.00 N ATOM 1246 CA ALA A 87 88.317 -8.374 -1.674 1.00 0.00 C ATOM 1247 C ALA A 87 87.690 -7.180 -2.387 1.00 0.00 C ATOM 1248 O ALA A 87 88.244 -6.080 -2.377 1.00 0.00 O ATOM 1249 CB ALA A 87 87.236 -9.167 -0.934 1.00 0.00 C ATOM 0 H ALA A 87 89.533 -6.933 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 87 88.786 -9.013 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.474 -9.492 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.685 -10.039 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.778 -8.535 -0.173 1.00 0.00 H new ATOM 1255 N ASP A 88 86.581 -7.428 -3.078 1.00 0.00 N ATOM 1256 CA ASP A 88 85.891 -6.379 -3.820 1.00 0.00 C ATOM 1257 C ASP A 88 84.810 -5.735 -2.959 1.00 0.00 C ATOM 1258 O ASP A 88 84.068 -6.419 -2.256 1.00 0.00 O ATOM 1259 CB ASP A 88 85.263 -6.965 -5.087 1.00 0.00 C ATOM 1260 CG ASP A 88 86.237 -7.932 -5.753 1.00 0.00 C ATOM 1261 OD1 ASP A 88 86.189 -9.105 -5.420 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.958 -7.502 -6.640 1.00 0.00 O ATOM 0 H ASP A 88 86.141 -8.346 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 88 86.617 -5.615 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.337 -7.483 -4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.004 -6.163 -5.778 1.00 0.00 H new ATOM 1267 N TYR A 89 84.687 -4.418 -3.087 1.00 0.00 N ATOM 1268 CA TYR A 89 83.701 -3.635 -2.348 1.00 0.00 C ATOM 1269 C TYR A 89 82.647 -3.092 -3.309 1.00 0.00 C ATOM 1270 O TYR A 89 82.894 -2.972 -4.510 1.00 0.00 O ATOM 1271 CB TYR A 89 84.411 -2.484 -1.621 1.00 0.00 C ATOM 1272 CG TYR A 89 84.526 -2.762 -0.141 1.00 0.00 C ATOM 1273 CD1 TYR A 89 83.455 -2.436 0.697 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.693 -3.322 0.395 1.00 0.00 C ATOM 1275 CE1 TYR A 89 83.533 -2.721 2.064 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.787 -3.564 1.772 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.685 -3.311 2.596 1.00 0.00 C ATOM 1278 OH TYR A 89 84.760 -3.576 3.947 1.00 0.00 O ATOM 0 H TYR A 89 85.271 -3.860 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 89 83.204 -4.267 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.405 -2.340 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.860 -1.556 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 89 82.572 -1.966 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.521 -3.567 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 89 82.701 -2.485 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 89 86.705 -3.944 2.195 1.00 0.00 H new ATOM 0 HH TYR A 89 85.626 -3.987 4.152 1.00 0.00 H new ATOM 1288 N TYR A 90 81.493 -2.719 -2.762 1.00 0.00 N ATOM 1289 CA TYR A 90 80.396 -2.206 -3.577 1.00 0.00 C ATOM 1290 C TYR A 90 79.475 -1.292 -2.770 1.00 0.00 C ATOM 1291 O TYR A 90 79.430 -1.362 -1.541 1.00 0.00 O ATOM 1292 CB TYR A 90 79.609 -3.381 -4.169 1.00 0.00 C ATOM 1293 CG TYR A 90 80.305 -3.917 -5.400 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.260 -4.934 -5.287 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.971 -3.406 -6.659 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.906 -5.417 -6.431 1.00 0.00 C ATOM 1297 CE2 TYR A 90 80.602 -3.903 -7.806 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.564 -4.913 -7.692 1.00 0.00 C ATOM 1299 OH TYR A 90 82.190 -5.398 -8.823 1.00 0.00 O ATOM 0 H TYR A 90 81.294 -2.762 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 90 80.816 -1.607 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.511 -4.172 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.600 -3.058 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.498 -5.346 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 90 79.227 -2.628 -6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.667 -6.178 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 90 80.346 -3.507 -8.778 1.00 0.00 H new ATOM 0 HH TYR A 90 81.835 -4.942 -9.614 1.00 0.00 H new ATOM 1309 N CYS A 91 78.728 -0.456 -3.490 1.00 0.00 N ATOM 1310 CA CYS A 91 77.773 0.484 -2.905 1.00 0.00 C ATOM 1311 C CYS A 91 76.405 0.198 -3.531 1.00 0.00 C ATOM 1312 O CYS A 91 76.321 -0.030 -4.738 1.00 0.00 O ATOM 1313 CB CYS A 91 78.183 1.938 -3.213 1.00 0.00 C ATOM 1314 SG CYS A 91 79.806 2.432 -2.557 1.00 0.00 S ATOM 0 H CYS A 91 78.770 -0.412 -4.508 1.00 0.00 H new ATOM 0 HA CYS A 91 77.745 0.362 -1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.187 2.078 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.424 2.608 -2.808 1.00 0.00 H new ATOM 1319 N GLN A 92 75.321 0.278 -2.760 1.00 0.00 N ATOM 1320 CA GLN A 92 73.969 0.123 -3.298 1.00 0.00 C ATOM 1321 C GLN A 92 73.152 1.376 -3.005 1.00 0.00 C ATOM 1322 O GLN A 92 73.041 1.773 -1.847 1.00 0.00 O ATOM 1323 CB GLN A 92 73.242 -1.057 -2.647 1.00 0.00 C ATOM 1324 CG GLN A 92 74.085 -2.330 -2.747 1.00 0.00 C ATOM 1325 CD GLN A 92 73.485 -3.428 -1.871 1.00 0.00 C ATOM 1326 OE1 GLN A 92 73.726 -3.460 -0.663 1.00 0.00 O ATOM 1327 NE2 GLN A 92 72.798 -4.391 -2.423 1.00 0.00 N ATOM 0 H GLN A 92 75.353 0.450 -1.755 1.00 0.00 H new ATOM 0 HA GLN A 92 74.064 -0.048 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.036 -0.832 -1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.280 -1.212 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.130 -2.665 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 92 75.108 -2.123 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.598 -4.366 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.462 -5.168 -1.855 1.00 0.00 H new ATOM 1336 N SER A 93 72.395 1.846 -3.992 1.00 0.00 N ATOM 1337 CA SER A 93 71.572 3.040 -3.825 1.00 0.00 C ATOM 1338 C SER A 93 70.180 2.812 -4.402 1.00 0.00 C ATOM 1339 O SER A 93 69.977 1.911 -5.216 1.00 0.00 O ATOM 1340 CB SER A 93 72.227 4.232 -4.528 1.00 0.00 C ATOM 1341 OG SER A 93 71.960 4.167 -5.921 1.00 0.00 O ATOM 0 H SER A 93 72.334 1.418 -4.916 1.00 0.00 H new ATOM 0 HA SER A 93 71.484 3.252 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.843 5.166 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.303 4.225 -4.353 1.00 0.00 H new ATOM 0 HG SER A 93 72.378 4.931 -6.370 1.00 0.00 H new ATOM 1347 N TYR A 94 69.249 3.696 -4.054 1.00 0.00 N ATOM 1348 CA TYR A 94 67.882 3.615 -4.556 1.00 0.00 C ATOM 1349 C TYR A 94 67.542 4.890 -5.322 1.00 0.00 C ATOM 1350 O TYR A 94 67.792 5.999 -4.850 1.00 0.00 O ATOM 1351 CB TYR A 94 66.911 3.436 -3.382 1.00 0.00 C ATOM 1352 CG TYR A 94 66.785 1.975 -3.018 1.00 0.00 C ATOM 1353 CD1 TYR A 94 67.840 1.322 -2.370 1.00 0.00 C ATOM 1354 CD2 TYR A 94 65.617 1.270 -3.336 1.00 0.00 C ATOM 1355 CE1 TYR A 94 67.729 -0.035 -2.045 1.00 0.00 C ATOM 1356 CE2 TYR A 94 65.494 -0.078 -2.984 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.552 -0.732 -2.342 1.00 0.00 C ATOM 1358 OH TYR A 94 66.464 -2.084 -2.078 1.00 0.00 O ATOM 0 H TYR A 94 69.418 4.480 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 94 67.792 2.760 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.264 4.002 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.933 3.837 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 94 68.740 1.865 -2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 94 64.810 1.768 -3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 94 68.552 -0.544 -1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 94 64.583 -0.614 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 94 65.579 -2.412 -2.343 1.00 0.00 H new ATOM 1368 N ASP A 95 66.903 4.715 -6.475 1.00 0.00 N ATOM 1369 CA ASP A 95 66.511 5.840 -7.316 1.00 0.00 C ATOM 1370 C ASP A 95 65.071 6.245 -7.020 1.00 0.00 C ATOM 1371 O ASP A 95 64.397 5.625 -6.198 1.00 0.00 O ATOM 1372 CB ASP A 95 66.642 5.454 -8.790 1.00 0.00 C ATOM 1373 CG ASP A 95 65.954 4.116 -9.042 1.00 0.00 C ATOM 1374 OD1 ASP A 95 65.348 3.602 -8.115 1.00 0.00 O ATOM 1375 OD2 ASP A 95 66.044 3.625 -10.155 1.00 0.00 O ATOM 0 H ASP A 95 66.645 3.802 -6.849 1.00 0.00 H new ATOM 0 HA ASP A 95 67.167 6.683 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 95 66.196 6.226 -9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 95 67.695 5.389 -9.065 1.00 0.00 H new ATOM 1380 N SER A 96 64.623 7.317 -7.664 1.00 0.00 N ATOM 1381 CA SER A 96 63.267 7.807 -7.454 1.00 0.00 C ATOM 1382 C SER A 96 62.246 6.751 -7.867 1.00 0.00 C ATOM 1383 O SER A 96 61.144 6.690 -7.323 1.00 0.00 O ATOM 1384 CB SER A 96 63.050 9.082 -8.274 1.00 0.00 C ATOM 1385 OG SER A 96 62.529 8.740 -9.550 1.00 0.00 O ATOM 0 H SER A 96 65.174 7.859 -8.330 1.00 0.00 H new ATOM 0 HA SER A 96 63.133 8.025 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.361 9.749 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.991 9.620 -8.386 1.00 0.00 H new ATOM 0 HG SER A 96 62.388 9.555 -10.075 1.00 0.00 H new ATOM 1391 N SER A 97 62.627 5.914 -8.827 1.00 0.00 N ATOM 1392 CA SER A 97 61.735 4.866 -9.309 1.00 0.00 C ATOM 1393 C SER A 97 61.576 3.771 -8.259 1.00 0.00 C ATOM 1394 O SER A 97 60.897 2.772 -8.493 1.00 0.00 O ATOM 1395 CB SER A 97 62.290 4.268 -10.603 1.00 0.00 C ATOM 1396 OG SER A 97 63.680 4.023 -10.454 1.00 0.00 O ATOM 0 H SER A 97 63.539 5.940 -9.283 1.00 0.00 H new ATOM 0 HA SER A 97 60.756 5.305 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 97 61.770 3.340 -10.839 1.00 0.00 H new ATOM 0 HB3 SER A 97 62.118 4.951 -11.435 1.00 0.00 H new ATOM 0 HG SER A 97 64.025 3.595 -11.265 1.00 0.00 H new ATOM 1402 N ASN A 98 62.230 3.954 -7.117 1.00 0.00 N ATOM 1403 CA ASN A 98 62.151 2.983 -6.032 1.00 0.00 C ATOM 1404 C ASN A 98 62.780 1.661 -6.463 1.00 0.00 C ATOM 1405 O ASN A 98 62.372 0.595 -6.001 1.00 0.00 O ATOM 1406 CB ASN A 98 60.690 2.764 -5.617 1.00 0.00 C ATOM 1407 CG ASN A 98 59.856 3.997 -5.947 1.00 0.00 C ATOM 1408 OD1 ASN A 98 59.227 4.051 -7.004 1.00 0.00 O ATOM 1409 ND2 ASN A 98 59.785 4.982 -5.093 1.00 0.00 N ATOM 0 H ASN A 98 62.819 4.763 -6.919 1.00 0.00 H new ATOM 0 HA ASN A 98 62.701 3.372 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.285 1.894 -6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.636 2.555 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.208 5.797 -5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 98 60.306 4.937 -4.218 1.00 0.00 H new ATOM 1416 N HIS A 99 63.788 1.735 -7.327 1.00 0.00 N ATOM 1417 CA HIS A 99 64.481 0.541 -7.801 1.00 0.00 C ATOM 1418 C HIS A 99 65.918 0.539 -7.287 1.00 0.00 C ATOM 1419 O HIS A 99 66.627 1.540 -7.398 1.00 0.00 O ATOM 1420 CB HIS A 99 64.472 0.513 -9.333 1.00 0.00 C ATOM 1421 CG HIS A 99 63.149 0.002 -9.834 1.00 0.00 C ATOM 1422 ND1 HIS A 99 61.958 0.663 -9.586 1.00 0.00 N ATOM 1423 CD2 HIS A 99 62.812 -1.126 -10.544 1.00 0.00 C ATOM 1424 CE1 HIS A 99 60.968 -0.060 -10.136 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.433 -1.157 -10.740 1.00 0.00 N ATOM 0 H HIS A 99 64.143 2.609 -7.713 1.00 0.00 H new ATOM 0 HA HIS A 99 63.969 -0.345 -7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 99 64.655 1.514 -9.724 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.278 -0.124 -9.697 1.00 0.00 H new ATOM 0 HD1 HIS A 99 61.851 1.541 -9.077 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.509 -1.873 -10.896 1.00 0.00 H new ATOM 0 HE1 HIS A 99 59.924 0.213 -10.095 1.00 0.00 H new ATOM 1433 N VAL A 100 66.359 -0.610 -6.784 1.00 0.00 N ATOM 1434 CA VAL A 100 67.710 -0.732 -6.249 1.00 0.00 C ATOM 1435 C VAL A 100 68.736 -0.635 -7.374 1.00 0.00 C ATOM 1436 O VAL A 100 68.488 -1.091 -8.491 1.00 0.00 O ATOM 1437 CB VAL A 100 67.851 -2.066 -5.510 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.437 -3.219 -6.427 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.299 -2.264 -5.056 1.00 0.00 C ATOM 0 H VAL A 100 65.804 -1.465 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 100 67.892 0.083 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 100 67.201 -2.053 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.541 -4.164 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.399 -3.086 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.076 -3.229 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.389 -3.215 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.956 -2.266 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.585 -1.452 -4.387 1.00 0.00 H new ATOM 1449 N VAL A 101 69.892 -0.047 -7.073 1.00 0.00 N ATOM 1450 CA VAL A 101 70.965 0.104 -8.053 1.00 0.00 C ATOM 1451 C VAL A 101 72.294 -0.317 -7.435 1.00 0.00 C ATOM 1452 O VAL A 101 72.449 -0.320 -6.214 1.00 0.00 O ATOM 1453 CB VAL A 101 71.040 1.565 -8.508 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.305 1.805 -9.337 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.811 1.898 -9.358 1.00 0.00 C ATOM 0 H VAL A 101 70.110 0.335 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 101 70.759 -0.531 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 101 71.068 2.204 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.341 2.848 -9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.184 1.577 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.291 1.161 -10.216 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.864 2.937 -9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.785 1.246 -10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.908 1.748 -8.766 1.00 0.00 H new ATOM 1465 N PHE A 102 73.247 -0.685 -8.285 1.00 0.00 N ATOM 1466 CA PHE A 102 74.569 -1.107 -7.831 1.00 0.00 C ATOM 1467 C PHE A 102 75.649 -0.210 -8.428 1.00 0.00 C ATOM 1468 O PHE A 102 75.451 0.392 -9.484 1.00 0.00 O ATOM 1469 CB PHE A 102 74.815 -2.559 -8.245 1.00 0.00 C ATOM 1470 CG PHE A 102 74.940 -2.648 -9.747 1.00 0.00 C ATOM 1471 CD1 PHE A 102 73.792 -2.795 -10.535 1.00 0.00 C ATOM 1472 CD2 PHE A 102 76.203 -2.597 -10.348 1.00 0.00 C ATOM 1473 CE1 PHE A 102 73.910 -2.884 -11.927 1.00 0.00 C ATOM 1474 CE2 PHE A 102 76.319 -2.660 -11.742 1.00 0.00 C ATOM 1475 CZ PHE A 102 75.172 -2.816 -12.530 1.00 0.00 C ATOM 0 H PHE A 102 73.128 -0.700 -9.298 1.00 0.00 H new ATOM 0 HA PHE A 102 74.610 -1.026 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.723 -2.933 -7.772 1.00 0.00 H new ATOM 0 HB3 PHE A 102 73.995 -3.189 -7.901 1.00 0.00 H new ATOM 0 HD1 PHE A 102 72.818 -2.840 -10.070 1.00 0.00 H new ATOM 0 HD2 PHE A 102 77.089 -2.509 -9.736 1.00 0.00 H new ATOM 0 HE1 PHE A 102 73.027 -3.005 -12.537 1.00 0.00 H new ATOM 0 HE2 PHE A 102 77.291 -2.588 -12.208 1.00 0.00 H new ATOM 0 HZ PHE A 102 75.261 -2.884 -13.604 1.00 0.00 H new ATOM 1485 N GLY A 103 76.776 -0.091 -7.732 1.00 0.00 N ATOM 1486 CA GLY A 103 77.877 0.741 -8.206 1.00 0.00 C ATOM 1487 C GLY A 103 78.935 -0.105 -8.907 1.00 0.00 C ATOM 1488 O GLY A 103 78.940 -1.330 -8.792 1.00 0.00 O ATOM 0 H GLY A 103 76.950 -0.558 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.497 1.498 -8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.327 1.270 -7.366 1.00 0.00 H new ATOM 1492 N GLY A 104 79.883 0.567 -9.552 1.00 0.00 N ATOM 1493 CA GLY A 104 80.919 -0.127 -10.307 1.00 0.00 C ATOM 1494 C GLY A 104 81.736 -1.043 -9.400 1.00 0.00 C ATOM 1495 O GLY A 104 82.133 -2.136 -9.805 1.00 0.00 O ATOM 0 H GLY A 104 79.955 1.584 -9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.462 -0.713 -11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.577 0.601 -10.782 1.00 0.00 H new ATOM 1499 N GLY A 105 81.929 -0.625 -8.152 1.00 0.00 N ATOM 1500 CA GLY A 105 82.676 -1.420 -7.183 1.00 0.00 C ATOM 1501 C GLY A 105 84.093 -0.886 -7.003 1.00 0.00 C ATOM 1502 O GLY A 105 84.457 0.142 -7.575 1.00 0.00 O ATOM 0 H GLY A 105 81.578 0.261 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.157 -1.411 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.715 -2.458 -7.514 1.00 0.00 H new ATOM 1506 N THR A 106 84.840 -1.518 -6.103 1.00 0.00 N ATOM 1507 CA THR A 106 86.219 -1.121 -5.844 1.00 0.00 C ATOM 1508 C THR A 106 87.021 -2.296 -5.291 1.00 0.00 C ATOM 1509 O THR A 106 86.736 -2.795 -4.202 1.00 0.00 O ATOM 1510 CB THR A 106 86.240 0.041 -4.847 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.504 1.126 -5.393 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.674 0.499 -4.563 1.00 0.00 C ATOM 0 H THR A 106 84.514 -2.305 -5.542 1.00 0.00 H new ATOM 0 HA THR A 106 86.675 -0.803 -6.782 1.00 0.00 H new ATOM 0 HB THR A 106 85.795 -0.294 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.719 1.221 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.658 1.325 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.244 -0.330 -4.144 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.141 0.828 -5.491 1.00 0.00 H new ATOM 1520 N LYS A 107 88.087 -2.663 -5.994 1.00 0.00 N ATOM 1521 CA LYS A 107 88.945 -3.754 -5.548 1.00 0.00 C ATOM 1522 C LYS A 107 89.888 -3.275 -4.448 1.00 0.00 C ATOM 1523 O LYS A 107 90.726 -2.404 -4.676 1.00 0.00 O ATOM 1524 CB LYS A 107 89.751 -4.303 -6.727 1.00 0.00 C ATOM 1525 CG LYS A 107 90.599 -5.487 -6.261 1.00 0.00 C ATOM 1526 CD LYS A 107 91.318 -6.100 -7.464 1.00 0.00 C ATOM 1527 CE LYS A 107 92.368 -7.093 -6.962 1.00 0.00 C ATOM 1528 NZ LYS A 107 93.367 -6.363 -6.133 1.00 0.00 N ATOM 0 H LYS A 107 88.376 -2.225 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 107 88.317 -4.549 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 107 89.079 -4.616 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.392 -3.523 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.325 -5.158 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.967 -6.234 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.603 -6.604 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.792 -5.319 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 107 91.893 -7.879 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 107 92.860 -7.579 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 94.264 -6.890 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 93.525 -5.416 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.011 -6.272 -5.160 1.00 0.00 H new ATOM 1542 N LEU A 108 89.749 -3.839 -3.251 1.00 0.00 N ATOM 1543 CA LEU A 108 90.591 -3.471 -2.120 1.00 0.00 C ATOM 1544 C LEU A 108 91.660 -4.541 -1.923 1.00 0.00 C ATOM 1545 O LEU A 108 91.336 -5.702 -1.672 1.00 0.00 O ATOM 1546 CB LEU A 108 89.717 -3.345 -0.866 1.00 0.00 C ATOM 1547 CG LEU A 108 90.551 -3.311 0.419 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.568 -2.170 0.350 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.645 -3.121 1.641 1.00 0.00 C ATOM 0 H LEU A 108 89.056 -4.557 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 108 91.081 -2.515 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.118 -2.437 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.022 -4.183 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 108 91.078 -4.260 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 108 92.157 -2.152 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 108 92.229 -2.323 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 108 91.043 -1.221 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.253 -3.099 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 108 89.100 -2.182 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.936 -3.947 1.700 1.00 0.00 H new ATOM 1561 N THR A 109 92.932 -4.148 -1.964 1.00 0.00 N ATOM 1562 CA THR A 109 94.030 -5.088 -1.758 1.00 0.00 C ATOM 1563 C THR A 109 94.722 -4.812 -0.425 1.00 0.00 C ATOM 1564 O THR A 109 95.365 -3.778 -0.261 1.00 0.00 O ATOM 1565 CB THR A 109 95.036 -4.958 -2.904 1.00 0.00 C ATOM 1566 OG1 THR A 109 94.423 -5.352 -4.124 1.00 0.00 O ATOM 1567 CG2 THR A 109 96.243 -5.858 -2.628 1.00 0.00 C ATOM 0 H THR A 109 93.226 -3.187 -2.138 1.00 0.00 H new ATOM 0 HA THR A 109 93.630 -6.102 -1.739 1.00 0.00 H new ATOM 0 HB THR A 109 95.364 -3.921 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.089 -4.559 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.960 -5.766 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.716 -5.556 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.914 -6.894 -2.550 1.00 0.00 H new ATOM 1575 N VAL A 110 94.691 -5.775 0.493 1.00 0.00 N ATOM 1576 CA VAL A 110 95.322 -5.604 1.800 1.00 0.00 C ATOM 1577 C VAL A 110 96.574 -6.472 1.897 1.00 0.00 C ATOM 1578 O VAL A 110 96.534 -7.671 1.621 1.00 0.00 O ATOM 1579 CB VAL A 110 94.351 -5.996 2.918 1.00 0.00 C ATOM 1580 CG1 VAL A 110 94.948 -5.645 4.286 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.014 -5.272 2.740 1.00 0.00 C ATOM 0 H VAL A 110 94.238 -6.679 0.357 1.00 0.00 H new ATOM 0 HA VAL A 110 95.596 -4.555 1.912 1.00 0.00 H new ATOM 0 HB VAL A 110 94.183 -7.072 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.248 -5.929 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 110 95.885 -6.184 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.135 -4.572 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.334 -5.561 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.177 -4.195 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.578 -5.545 1.779 1.00 0.00 H new ATOM 1591 N LEU A 111 97.701 -5.838 2.209 1.00 0.00 N ATOM 1592 CA LEU A 111 98.989 -6.525 2.288 1.00 0.00 C ATOM 1593 C LEU A 111 99.287 -6.874 3.744 1.00 0.00 C ATOM 1594 O LEU A 111 99.687 -7.981 4.017 1.00 0.00 O ATOM 1595 CB LEU A 111 100.117 -5.663 1.699 1.00 0.00 C ATOM 1596 CG LEU A 111 99.543 -4.550 0.812 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.112 -3.349 1.665 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.587 -4.100 -0.214 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.143 -5.977 4.587 1.00 0.00 O ATOM 0 H LEU A 111 97.749 -4.840 2.413 1.00 0.00 H new ATOM 0 HA LEU A 111 98.934 -7.440 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.705 -5.225 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.792 -6.288 1.115 1.00 0.00 H new ATOM 0 HG LEU A 111 98.671 -4.945 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.708 -2.570 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.348 -3.663 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 111 99.974 -2.960 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 111 100.168 -3.310 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.468 -3.723 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.869 -4.946 -0.841 1.00 0.00 H new TER 1611 LEU A 111