USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=41 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 38 GLN : amide:sc= -6.26! C(o=-6.3!,f=-14!) USER MOD Set 1.2: A 89 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 37 TYR OH : rot -110:sc=4.95e-05 USER MOD Set 2.2: A 47 THR OG1 : rot -40:sc= 1.38 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0.132 USER MOD Set 3.2: A 31 SER OG : rot -80:sc= 0.417 USER MOD Set 3.3: A 32 ASN : amide:sc= -4.68! C(o=-4.1!,f=-3!) USER MOD Set 4.1: A 8 HIS : no HE2:sc= -2.06 K(o=-1.8,f=-2.4!) USER MOD Set 4.2: A 9 SER OG : rot -42:sc= 0.297 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ -172:sc= 0 (180deg=-0.0666) 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= -9.86! C(o=-9.9!,f=-13!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.595 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 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 -40:sc= 1.09 USER MOD Single : A 26 SER OG : rot 180:sc= -0.981! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 39 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.331 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 : amide:sc= -14.9! K(o=-15!,f=-5.5) USER MOD Single : A 54 GLN : amide:sc= -0.73 K(o=-0.73,f=-0.088) 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 -59:sc= 0.902 USER MOD Single : A 69 SER OG : rot 180:sc= -0.38 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 71 SER OG : rot -40:sc= 0.306 USER MOD Single : A 72 ASN : amide:sc= -1.01! C(o=-1!,f=-7.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.108 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= -0.0164 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -4.55! C(o=-4.5!,f=-5.2!) USER MOD Single : A 93 SER OG : rot 140:sc= -0.378 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0842 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.00233 USER MOD Single : A 98 ASN : amide:sc= -1.02 K(o=-1,f=-0.47) USER MOD Single : A 99 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.29) USER MOD Single : A 106 THR OG1 : rot -6:sc= 0.855 USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.114) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 69.794 7.020 -16.843 1.00 0.00 N ATOM 2 CA ASN A 1 70.605 8.147 -17.384 1.00 0.00 C ATOM 3 C ASN A 1 71.760 8.435 -16.430 1.00 0.00 C ATOM 4 O ASN A 1 72.892 8.650 -16.862 1.00 0.00 O ATOM 5 CB ASN A 1 69.716 9.385 -17.531 1.00 0.00 C ATOM 6 CG ASN A 1 68.882 9.292 -18.805 1.00 0.00 C ATOM 7 OD1 ASN A 1 69.376 9.586 -19.894 1.00 0.00 O ATOM 8 ND2 ASN A 1 67.652 8.860 -18.739 1.00 0.00 N ATOM 0 H1 ASN A 1 69.089 6.729 -17.550 1.00 0.00 H new ATOM 0 H2 ASN A 1 70.418 6.217 -16.625 1.00 0.00 H new ATOM 0 H3 ASN A 1 69.309 7.326 -15.976 1.00 0.00 H new ATOM 0 HA ASN A 1 71.008 7.883 -18.362 1.00 0.00 H new ATOM 0 HB2 ASN A 1 69.060 9.475 -16.665 1.00 0.00 H new ATOM 0 HB3 ASN A 1 70.333 10.283 -17.558 1.00 0.00 H new ATOM 0 HD21 ASN A 1 67.098 8.765 -19.590 1.00 0.00 H new ATOM 0 HD22 ASN A 1 67.245 8.617 -17.836 1.00 0.00 H new ATOM 17 N PHE A 2 71.456 8.486 -15.137 1.00 0.00 N ATOM 18 CA PHE A 2 72.478 8.781 -14.139 1.00 0.00 C ATOM 19 C PHE A 2 73.408 7.583 -13.977 1.00 0.00 C ATOM 20 O PHE A 2 73.120 6.492 -14.467 1.00 0.00 O ATOM 21 CB PHE A 2 71.834 9.134 -12.793 1.00 0.00 C ATOM 22 CG PHE A 2 70.433 9.653 -13.011 1.00 0.00 C ATOM 23 CD1 PHE A 2 70.235 10.944 -13.515 1.00 0.00 C ATOM 24 CD2 PHE A 2 69.335 8.819 -12.768 1.00 0.00 C ATOM 25 CE1 PHE A 2 68.935 11.439 -13.671 1.00 0.00 C ATOM 26 CE2 PHE A 2 68.036 9.295 -12.980 1.00 0.00 C ATOM 27 CZ PHE A 2 67.836 10.610 -13.416 1.00 0.00 C ATOM 0 H PHE A 2 70.522 8.329 -14.759 1.00 0.00 H new ATOM 0 HA PHE A 2 73.057 9.640 -14.479 1.00 0.00 H new ATOM 0 HB2 PHE A 2 71.809 8.254 -12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 2 72.433 9.886 -12.280 1.00 0.00 H new ATOM 0 HD1 PHE A 2 71.083 11.557 -13.783 1.00 0.00 H new ATOM 0 HD2 PHE A 2 69.490 7.809 -12.417 1.00 0.00 H new ATOM 0 HE1 PHE A 2 68.780 12.460 -13.988 1.00 0.00 H new ATOM 0 HE2 PHE A 2 67.189 8.648 -12.807 1.00 0.00 H new ATOM 0 HZ PHE A 2 66.833 10.985 -13.556 1.00 0.00 H new ATOM 37 N MET A 3 74.457 7.765 -13.182 1.00 0.00 N ATOM 38 CA MET A 3 75.366 6.668 -12.879 1.00 0.00 C ATOM 39 C MET A 3 76.094 6.918 -11.561 1.00 0.00 C ATOM 40 O MET A 3 76.153 8.055 -11.091 1.00 0.00 O ATOM 41 CB MET A 3 76.367 6.523 -14.030 1.00 0.00 C ATOM 42 CG MET A 3 76.753 5.053 -14.210 1.00 0.00 C ATOM 43 SD MET A 3 75.475 4.210 -15.178 1.00 0.00 S ATOM 44 CE MET A 3 76.532 3.516 -16.472 1.00 0.00 C ATOM 0 H MET A 3 74.697 8.653 -12.740 1.00 0.00 H new ATOM 0 HA MET A 3 74.797 5.744 -12.772 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.931 6.908 -14.952 1.00 0.00 H new ATOM 0 HB3 MET A 3 77.257 7.118 -13.825 1.00 0.00 H new ATOM 0 HG2 MET A 3 77.716 4.978 -14.715 1.00 0.00 H new ATOM 0 HG3 MET A 3 76.864 4.573 -13.238 1.00 0.00 H new ATOM 0 HE1 MET A 3 75.921 2.952 -17.177 1.00 0.00 H new ATOM 0 HE2 MET A 3 77.041 4.324 -16.998 1.00 0.00 H new ATOM 0 HE3 MET A 3 77.271 2.854 -16.022 1.00 0.00 H new ATOM 54 N LEU A 4 76.802 5.906 -11.062 1.00 0.00 N ATOM 55 CA LEU A 4 77.569 6.040 -9.827 1.00 0.00 C ATOM 56 C LEU A 4 79.062 5.938 -10.113 1.00 0.00 C ATOM 57 O LEU A 4 79.512 5.042 -10.826 1.00 0.00 O ATOM 58 CB LEU A 4 77.163 4.938 -8.846 1.00 0.00 C ATOM 59 CG LEU A 4 75.657 5.019 -8.564 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.112 3.621 -8.263 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.383 5.940 -7.371 1.00 0.00 C ATOM 0 H LEU A 4 76.860 4.984 -11.495 1.00 0.00 H new ATOM 0 HA LEU A 4 77.359 7.017 -9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.412 3.961 -9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.722 5.043 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 4 75.160 5.425 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.042 3.683 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.284 2.971 -9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 4 75.621 3.212 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.310 5.986 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 4 75.888 5.550 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 4 75.756 6.940 -7.590 1.00 0.00 H new ATOM 73 N THR A 5 79.822 6.866 -9.541 1.00 0.00 N ATOM 74 CA THR A 5 81.270 6.899 -9.725 1.00 0.00 C ATOM 75 C THR A 5 81.977 6.508 -8.433 1.00 0.00 C ATOM 76 O THR A 5 81.829 7.172 -7.407 1.00 0.00 O ATOM 77 CB THR A 5 81.712 8.303 -10.149 1.00 0.00 C ATOM 78 OG1 THR A 5 81.240 8.566 -11.463 1.00 0.00 O ATOM 79 CG2 THR A 5 83.240 8.414 -10.135 1.00 0.00 C ATOM 0 H THR A 5 79.458 7.608 -8.944 1.00 0.00 H new ATOM 0 HA THR A 5 81.538 6.186 -10.505 1.00 0.00 H new ATOM 0 HB THR A 5 81.298 9.027 -9.447 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.519 9.464 -11.737 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.535 9.418 -10.439 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.610 8.216 -9.129 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.664 7.686 -10.827 1.00 0.00 H new ATOM 87 N GLN A 6 82.796 5.462 -8.505 1.00 0.00 N ATOM 88 CA GLN A 6 83.529 4.984 -7.336 1.00 0.00 C ATOM 89 C GLN A 6 84.945 4.586 -7.748 1.00 0.00 C ATOM 90 O GLN A 6 85.154 4.159 -8.884 1.00 0.00 O ATOM 91 CB GLN A 6 82.796 3.795 -6.700 1.00 0.00 C ATOM 92 CG GLN A 6 81.341 3.756 -7.169 1.00 0.00 C ATOM 93 CD GLN A 6 80.611 2.630 -6.448 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.399 2.481 -6.603 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.257 1.944 -5.544 1.00 0.00 N ATOM 0 H GLN A 6 82.969 4.930 -9.358 1.00 0.00 H new ATOM 0 HA GLN A 6 83.588 5.782 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.297 2.865 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 6 82.833 3.875 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 6 80.855 4.710 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.298 3.601 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.261 2.076 -5.425 1.00 0.00 H new ATOM 0 HE22 GLN A 6 80.757 1.276 -4.957 1.00 0.00 H new ATOM 104 N PRO A 7 85.864 4.518 -6.822 1.00 0.00 N ATOM 105 CA PRO A 7 87.270 4.146 -7.145 1.00 0.00 C ATOM 106 C PRO A 7 87.339 2.800 -7.860 1.00 0.00 C ATOM 107 O PRO A 7 86.693 1.836 -7.449 1.00 0.00 O ATOM 108 CB PRO A 7 87.986 4.107 -5.787 1.00 0.00 C ATOM 109 CG PRO A 7 86.980 4.485 -4.745 1.00 0.00 C ATOM 110 CD PRO A 7 85.770 5.083 -5.466 1.00 0.00 C ATOM 0 HA PRO A 7 87.737 4.856 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.387 3.112 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 7 88.829 4.798 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 7 86.686 3.612 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.405 5.206 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 7 84.835 4.805 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.810 6.172 -5.481 1.00 0.00 H new ATOM 118 N HIS A 8 88.129 2.740 -8.927 1.00 0.00 N ATOM 119 CA HIS A 8 88.273 1.504 -9.685 1.00 0.00 C ATOM 120 C HIS A 8 89.005 0.453 -8.858 1.00 0.00 C ATOM 121 O HIS A 8 88.657 -0.728 -8.884 1.00 0.00 O ATOM 122 CB HIS A 8 89.045 1.774 -10.978 1.00 0.00 C ATOM 123 CG HIS A 8 90.367 2.412 -10.649 1.00 0.00 C ATOM 124 ND1 HIS A 8 91.517 1.666 -10.450 1.00 0.00 N ATOM 125 CD2 HIS A 8 90.730 3.723 -10.458 1.00 0.00 C ATOM 126 CE1 HIS A 8 92.513 2.523 -10.169 1.00 0.00 C ATOM 127 NE2 HIS A 8 92.089 3.790 -10.160 1.00 0.00 N ATOM 0 H HIS A 8 88.674 3.525 -9.283 1.00 0.00 H new ATOM 0 HA HIS A 8 87.279 1.128 -9.929 1.00 0.00 H new ATOM 0 HB2 HIS A 8 89.204 0.842 -11.521 1.00 0.00 H new ATOM 0 HB3 HIS A 8 88.466 2.428 -11.630 1.00 0.00 H new ATOM 0 HD1 HIS A 8 91.594 0.650 -10.507 1.00 0.00 H new ATOM 0 HD2 HIS A 8 90.065 4.571 -10.528 1.00 0.00 H new ATOM 0 HE1 HIS A 8 93.532 2.224 -9.974 1.00 0.00 H new ATOM 135 N SER A 9 90.064 0.881 -8.181 1.00 0.00 N ATOM 136 CA SER A 9 90.860 -0.037 -7.377 1.00 0.00 C ATOM 137 C SER A 9 91.741 0.739 -6.406 1.00 0.00 C ATOM 138 O SER A 9 92.200 1.840 -6.711 1.00 0.00 O ATOM 139 CB SER A 9 91.735 -0.905 -8.285 1.00 0.00 C ATOM 140 OG SER A 9 90.973 -1.341 -9.401 1.00 0.00 O ATOM 0 H SER A 9 90.389 1.848 -8.172 1.00 0.00 H new ATOM 0 HA SER A 9 90.185 -0.677 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.602 -0.338 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.112 -1.764 -7.731 1.00 0.00 H new ATOM 0 HG SER A 9 90.079 -1.608 -9.102 1.00 0.00 H new ATOM 146 N VAL A 10 91.948 0.168 -5.225 1.00 0.00 N ATOM 147 CA VAL A 10 92.729 0.830 -4.188 1.00 0.00 C ATOM 148 C VAL A 10 93.267 -0.197 -3.199 1.00 0.00 C ATOM 149 O VAL A 10 92.663 -1.249 -2.989 1.00 0.00 O ATOM 150 CB VAL A 10 91.866 1.858 -3.451 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.590 1.201 -2.910 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.673 2.470 -2.301 1.00 0.00 C ATOM 0 H VAL A 10 91.587 -0.749 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 10 93.568 1.343 -4.658 1.00 0.00 H new ATOM 0 HB VAL A 10 91.576 2.644 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.989 1.947 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.015 0.786 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.857 0.403 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.060 3.202 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.973 1.684 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.561 2.960 -2.700 1.00 0.00 H new ATOM 162 N SER A 11 94.434 0.092 -2.634 1.00 0.00 N ATOM 163 CA SER A 11 95.080 -0.817 -1.694 1.00 0.00 C ATOM 164 C SER A 11 95.535 -0.053 -0.457 1.00 0.00 C ATOM 165 O SER A 11 95.778 1.152 -0.516 1.00 0.00 O ATOM 166 CB SER A 11 96.297 -1.470 -2.350 1.00 0.00 C ATOM 167 OG SER A 11 95.912 -2.081 -3.573 1.00 0.00 O ATOM 0 H SER A 11 94.954 0.952 -2.811 1.00 0.00 H new ATOM 0 HA SER A 11 94.362 -1.585 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.068 -0.722 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.727 -2.214 -1.680 1.00 0.00 H new ATOM 0 HG SER A 11 96.695 -2.497 -3.991 1.00 0.00 H new ATOM 173 N GLU A 12 95.716 -0.774 0.644 1.00 0.00 N ATOM 174 CA GLU A 12 96.176 -0.150 1.878 1.00 0.00 C ATOM 175 C GLU A 12 96.855 -1.181 2.775 1.00 0.00 C ATOM 176 O GLU A 12 96.506 -2.361 2.752 1.00 0.00 O ATOM 177 CB GLU A 12 94.979 0.489 2.593 1.00 0.00 C ATOM 178 CG GLU A 12 95.347 1.866 3.153 1.00 0.00 C ATOM 179 CD GLU A 12 96.650 1.788 3.942 1.00 0.00 C ATOM 180 OE1 GLU A 12 96.649 1.165 4.990 1.00 0.00 O ATOM 181 OE2 GLU A 12 97.644 2.297 3.452 1.00 0.00 O ATOM 0 H GLU A 12 95.553 -1.779 0.707 1.00 0.00 H new ATOM 0 HA GLU A 12 96.908 0.623 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.145 0.586 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.646 -0.160 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 12 95.451 2.582 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 12 94.546 2.230 3.796 1.00 0.00 H new ATOM 188 N SER A 13 97.823 -0.729 3.567 1.00 0.00 N ATOM 189 CA SER A 13 98.568 -1.634 4.436 1.00 0.00 C ATOM 190 C SER A 13 97.833 -1.808 5.763 1.00 0.00 C ATOM 191 O SER A 13 97.262 -0.846 6.277 1.00 0.00 O ATOM 192 CB SER A 13 99.969 -1.072 4.694 1.00 0.00 C ATOM 193 OG SER A 13 100.387 -1.412 6.008 1.00 0.00 O ATOM 0 H SER A 13 98.108 0.249 3.625 1.00 0.00 H new ATOM 0 HA SER A 13 98.654 -2.604 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.672 -1.472 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.965 0.011 4.572 1.00 0.00 H new ATOM 0 HG SER A 13 101.284 -1.052 6.169 1.00 0.00 H new ATOM 199 N PRO A 14 97.897 -2.961 6.378 1.00 0.00 N ATOM 200 CA PRO A 14 97.160 -3.204 7.649 1.00 0.00 C ATOM 201 C PRO A 14 97.598 -2.212 8.721 1.00 0.00 C ATOM 202 O PRO A 14 98.787 -1.928 8.858 1.00 0.00 O ATOM 203 CB PRO A 14 97.497 -4.649 8.044 1.00 0.00 C ATOM 204 CG PRO A 14 98.361 -5.225 6.964 1.00 0.00 C ATOM 205 CD PRO A 14 98.449 -4.208 5.822 1.00 0.00 C ATOM 0 HA PRO A 14 96.085 -3.067 7.534 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.016 -4.673 9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.586 -5.237 8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.355 -5.447 7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.942 -6.165 6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.479 -4.071 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.879 -4.539 4.954 1.00 0.00 H new ATOM 213 N GLY A 15 96.651 -1.762 9.540 1.00 0.00 N ATOM 214 CA GLY A 15 96.953 -0.845 10.635 1.00 0.00 C ATOM 215 C GLY A 15 96.266 0.502 10.433 1.00 0.00 C ATOM 216 O GLY A 15 95.869 1.155 11.398 1.00 0.00 O ATOM 0 H GLY A 15 95.666 -2.018 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.629 -1.283 11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 15 98.031 -0.699 10.704 1.00 0.00 H new ATOM 220 N LYS A 16 96.172 0.940 9.180 1.00 0.00 N ATOM 221 CA LYS A 16 95.565 2.230 8.867 1.00 0.00 C ATOM 222 C LYS A 16 94.065 2.064 8.642 1.00 0.00 C ATOM 223 O LYS A 16 93.457 1.125 9.154 1.00 0.00 O ATOM 224 CB LYS A 16 96.219 2.832 7.619 1.00 0.00 C ATOM 225 CG LYS A 16 97.710 2.484 7.571 1.00 0.00 C ATOM 226 CD LYS A 16 98.428 3.066 8.790 1.00 0.00 C ATOM 227 CE LYS A 16 99.913 2.702 8.728 1.00 0.00 C ATOM 228 NZ LYS A 16 100.645 3.406 9.818 1.00 0.00 N ATOM 0 H LYS A 16 96.507 0.422 8.368 1.00 0.00 H new ATOM 0 HA LYS A 16 95.723 2.905 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.723 2.455 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.093 3.915 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.838 1.402 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.153 2.878 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 16 98.309 4.149 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 16 97.985 2.677 9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.038 1.624 8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.326 2.981 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.654 3.158 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.536 4.434 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.257 3.118 10.739 1.00 0.00 H new ATOM 242 N THR A 17 93.465 3.003 7.915 1.00 0.00 N ATOM 243 CA THR A 17 92.037 2.952 7.615 1.00 0.00 C ATOM 244 C THR A 17 91.799 2.960 6.110 1.00 0.00 C ATOM 245 O THR A 17 92.665 3.358 5.330 1.00 0.00 O ATOM 246 CB THR A 17 91.322 4.157 8.229 1.00 0.00 C ATOM 247 OG1 THR A 17 91.847 5.356 7.679 1.00 0.00 O ATOM 248 CG2 THR A 17 91.528 4.167 9.745 1.00 0.00 C ATOM 0 H THR A 17 93.948 3.811 7.522 1.00 0.00 H new ATOM 0 HA THR A 17 91.642 2.029 8.040 1.00 0.00 H new ATOM 0 HB THR A 17 90.257 4.088 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.386 6.126 8.073 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.016 5.028 10.176 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.121 3.251 10.173 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.593 4.230 9.967 1.00 0.00 H new ATOM 256 N VAL A 18 90.575 2.617 5.723 1.00 0.00 N ATOM 257 CA VAL A 18 90.154 2.680 4.327 1.00 0.00 C ATOM 258 C VAL A 18 88.917 3.563 4.207 1.00 0.00 C ATOM 259 O VAL A 18 87.935 3.390 4.927 1.00 0.00 O ATOM 260 CB VAL A 18 89.886 1.259 3.818 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.061 1.300 2.528 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.204 0.502 3.587 1.00 0.00 C ATOM 0 H VAL A 18 89.851 2.290 6.363 1.00 0.00 H new ATOM 0 HA VAL A 18 90.939 3.120 3.713 1.00 0.00 H new ATOM 0 HB VAL A 18 89.317 0.727 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.879 0.283 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.108 1.793 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.607 1.853 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.988 -0.504 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.803 1.032 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.757 0.440 4.524 1.00 0.00 H new ATOM 272 N THR A 19 88.950 4.471 3.238 1.00 0.00 N ATOM 273 CA THR A 19 87.814 5.341 2.965 1.00 0.00 C ATOM 274 C THR A 19 87.282 5.071 1.562 1.00 0.00 C ATOM 275 O THR A 19 87.998 5.227 0.573 1.00 0.00 O ATOM 276 CB THR A 19 88.254 6.798 3.129 1.00 0.00 C ATOM 277 OG1 THR A 19 88.428 7.073 4.511 1.00 0.00 O ATOM 278 CG2 THR A 19 87.191 7.738 2.558 1.00 0.00 C ATOM 0 H THR A 19 89.753 4.623 2.628 1.00 0.00 H new ATOM 0 HA THR A 19 87.006 5.141 3.669 1.00 0.00 H new ATOM 0 HB THR A 19 89.190 6.954 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.712 8.004 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.515 8.771 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.049 7.526 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.250 7.588 3.088 1.00 0.00 H new ATOM 286 N ILE A 20 86.004 4.709 1.481 1.00 0.00 N ATOM 287 CA ILE A 20 85.360 4.453 0.195 1.00 0.00 C ATOM 288 C ILE A 20 84.383 5.576 -0.137 1.00 0.00 C ATOM 289 O ILE A 20 83.417 5.798 0.591 1.00 0.00 O ATOM 290 CB ILE A 20 84.601 3.125 0.247 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.559 1.997 0.639 1.00 0.00 C ATOM 292 CG2 ILE A 20 83.992 2.833 -1.126 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.805 0.685 0.881 1.00 0.00 C ATOM 0 H ILE A 20 85.394 4.586 2.290 1.00 0.00 H new ATOM 0 HA ILE A 20 86.129 4.404 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 20 83.806 3.191 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.298 1.854 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.104 2.277 1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.451 1.887 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.305 3.634 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 84.786 2.769 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.513 -0.096 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.084 0.823 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.281 0.394 -0.029 1.00 0.00 H new ATOM 305 N SER A 21 84.597 6.238 -1.272 1.00 0.00 N ATOM 306 CA SER A 21 83.727 7.329 -1.701 1.00 0.00 C ATOM 307 C SER A 21 82.817 6.872 -2.840 1.00 0.00 C ATOM 308 O SER A 21 83.299 6.344 -3.843 1.00 0.00 O ATOM 309 CB SER A 21 84.584 8.515 -2.154 1.00 0.00 C ATOM 310 OG SER A 21 85.079 9.210 -1.017 1.00 0.00 O ATOM 0 H SER A 21 85.366 6.037 -1.911 1.00 0.00 H new ATOM 0 HA SER A 21 83.100 7.634 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.414 8.163 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 21 83.992 9.188 -2.774 1.00 0.00 H new ATOM 0 HG SER A 21 85.628 9.967 -1.310 1.00 0.00 H new ATOM 316 N CYS A 22 81.504 7.030 -2.671 1.00 0.00 N ATOM 317 CA CYS A 22 80.528 6.670 -3.702 1.00 0.00 C ATOM 318 C CYS A 22 79.810 7.953 -4.141 1.00 0.00 C ATOM 319 O CYS A 22 79.248 8.671 -3.314 1.00 0.00 O ATOM 320 CB CYS A 22 79.567 5.592 -3.153 1.00 0.00 C ATOM 321 SG CYS A 22 79.755 3.984 -3.991 1.00 0.00 S ATOM 0 H CYS A 22 81.088 7.409 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 22 81.008 6.235 -4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.745 5.463 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.539 5.937 -3.265 1.00 0.00 H new ATOM 326 N THR A 23 79.963 8.333 -5.410 1.00 0.00 N ATOM 327 CA THR A 23 79.350 9.547 -5.953 1.00 0.00 C ATOM 328 C THR A 23 78.262 9.176 -6.957 1.00 0.00 C ATOM 329 O THR A 23 78.462 8.288 -7.784 1.00 0.00 O ATOM 330 CB THR A 23 80.409 10.420 -6.639 1.00 0.00 C ATOM 331 OG1 THR A 23 81.202 11.066 -5.653 1.00 0.00 O ATOM 332 CG2 THR A 23 79.764 11.493 -7.524 1.00 0.00 C ATOM 0 H THR A 23 80.514 7.809 -6.090 1.00 0.00 H new ATOM 0 HA THR A 23 78.907 10.110 -5.132 1.00 0.00 H new ATOM 0 HB THR A 23 81.022 9.771 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.880 11.622 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.543 12.093 -7.994 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.160 11.014 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.130 12.136 -6.913 1.00 0.00 H new ATOM 340 N GLY A 24 77.174 9.943 -6.974 1.00 0.00 N ATOM 341 CA GLY A 24 76.058 9.688 -7.882 1.00 0.00 C ATOM 342 C GLY A 24 75.732 10.924 -8.715 1.00 0.00 C ATOM 343 O GLY A 24 75.759 12.045 -8.208 1.00 0.00 O ATOM 0 H GLY A 24 77.041 10.751 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.305 8.856 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.180 9.390 -7.309 1.00 0.00 H new ATOM 347 N SER A 25 75.341 10.710 -9.970 1.00 0.00 N ATOM 348 CA SER A 25 74.968 11.815 -10.848 1.00 0.00 C ATOM 349 C SER A 25 73.451 11.940 -10.952 1.00 0.00 C ATOM 350 O SER A 25 72.939 12.636 -11.828 1.00 0.00 O ATOM 351 CB SER A 25 75.559 11.586 -12.241 1.00 0.00 C ATOM 352 OG SER A 25 75.137 12.626 -13.111 1.00 0.00 O ATOM 0 H SER A 25 75.275 9.787 -10.399 1.00 0.00 H new ATOM 0 HA SER A 25 75.363 12.739 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.647 11.562 -12.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.238 10.620 -12.630 1.00 0.00 H new ATOM 0 HG SER A 25 74.196 12.836 -12.937 1.00 0.00 H new ATOM 358 N SER A 26 72.733 11.219 -10.095 1.00 0.00 N ATOM 359 CA SER A 26 71.274 11.258 -10.099 1.00 0.00 C ATOM 360 C SER A 26 70.759 12.283 -9.095 1.00 0.00 C ATOM 361 O SER A 26 70.018 13.199 -9.451 1.00 0.00 O ATOM 362 CB SER A 26 70.717 9.876 -9.748 1.00 0.00 C ATOM 363 OG SER A 26 70.469 9.798 -8.352 1.00 0.00 O ATOM 0 H SER A 26 73.137 10.602 -9.390 1.00 0.00 H new ATOM 0 HA SER A 26 70.940 11.546 -11.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 69.796 9.694 -10.301 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.425 9.102 -10.045 1.00 0.00 H new ATOM 0 HG SER A 26 70.111 8.913 -8.132 1.00 0.00 H new ATOM 369 N GLY A 27 71.105 12.083 -7.828 1.00 0.00 N ATOM 370 CA GLY A 27 70.625 12.959 -6.765 1.00 0.00 C ATOM 371 C GLY A 27 71.511 12.836 -5.530 1.00 0.00 C ATOM 372 O GLY A 27 72.515 12.124 -5.545 1.00 0.00 O ATOM 0 H GLY A 27 71.713 11.327 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 27 70.617 13.992 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.597 12.701 -6.510 1.00 0.00 H new ATOM 376 N SER A 28 71.102 13.486 -4.445 1.00 0.00 N ATOM 377 CA SER A 28 71.849 13.398 -3.197 1.00 0.00 C ATOM 378 C SER A 28 71.644 12.029 -2.559 1.00 0.00 C ATOM 379 O SER A 28 70.519 11.537 -2.469 1.00 0.00 O ATOM 380 CB SER A 28 71.395 14.497 -2.232 1.00 0.00 C ATOM 381 OG SER A 28 70.344 14.003 -1.415 1.00 0.00 O ATOM 0 H SER A 28 70.268 14.072 -4.405 1.00 0.00 H new ATOM 0 HA SER A 28 72.909 13.533 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 28 72.231 14.820 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.057 15.370 -2.791 1.00 0.00 H new ATOM 0 HG SER A 28 70.053 14.705 -0.796 1.00 0.00 H new ATOM 387 N ILE A 29 72.723 11.468 -2.028 1.00 0.00 N ATOM 388 CA ILE A 29 72.662 10.136 -1.439 1.00 0.00 C ATOM 389 C ILE A 29 71.718 10.139 -0.239 1.00 0.00 C ATOM 390 O ILE A 29 71.585 9.134 0.459 1.00 0.00 O ATOM 391 CB ILE A 29 74.072 9.705 -1.012 1.00 0.00 C ATOM 392 CG1 ILE A 29 74.935 10.912 -0.624 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.765 8.986 -2.172 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.211 11.866 0.329 1.00 0.00 C ATOM 0 H ILE A 29 73.642 11.909 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 29 72.281 9.428 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 29 73.965 9.047 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.854 10.562 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 29 75.224 11.453 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.766 8.681 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.187 8.105 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.836 9.659 -3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 29 74.865 12.703 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.306 12.240 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 29 73.946 11.335 1.243 1.00 0.00 H new ATOM 406 N ALA A 30 71.130 11.298 0.042 1.00 0.00 N ATOM 407 CA ALA A 30 70.251 11.451 1.197 1.00 0.00 C ATOM 408 C ALA A 30 68.793 11.414 0.753 1.00 0.00 C ATOM 409 O ALA A 30 67.921 10.966 1.497 1.00 0.00 O ATOM 410 CB ALA A 30 70.525 12.791 1.883 1.00 0.00 C ATOM 0 H ALA A 30 71.246 12.145 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 30 70.443 10.633 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.866 12.900 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.563 12.825 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.341 13.604 1.180 1.00 0.00 H new ATOM 416 N SER A 31 68.571 11.724 -0.520 1.00 0.00 N ATOM 417 CA SER A 31 67.231 11.652 -1.091 1.00 0.00 C ATOM 418 C SER A 31 66.807 10.198 -1.265 1.00 0.00 C ATOM 419 O SER A 31 65.616 9.888 -1.307 1.00 0.00 O ATOM 420 CB SER A 31 67.203 12.354 -2.450 1.00 0.00 C ATOM 421 OG SER A 31 68.294 11.896 -3.235 1.00 0.00 O ATOM 0 H SER A 31 69.296 12.025 -1.172 1.00 0.00 H new ATOM 0 HA SER A 31 66.538 12.148 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.262 12.149 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.264 13.434 -2.316 1.00 0.00 H new ATOM 0 HG SER A 31 69.111 12.364 -2.964 1.00 0.00 H new ATOM 427 N ASN A 32 67.788 9.304 -1.208 1.00 0.00 N ATOM 428 CA ASN A 32 67.535 7.873 -1.332 1.00 0.00 C ATOM 429 C ASN A 32 68.460 7.119 -0.381 1.00 0.00 C ATOM 430 O ASN A 32 69.584 7.553 -0.128 1.00 0.00 O ATOM 431 CB ASN A 32 67.777 7.426 -2.778 1.00 0.00 C ATOM 432 CG ASN A 32 67.452 8.562 -3.743 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.337 9.050 -4.446 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.229 9.010 -3.827 1.00 0.00 N ATOM 0 H ASN A 32 68.770 9.546 -1.076 1.00 0.00 H new ATOM 0 HA ASN A 32 66.499 7.657 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.816 7.120 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.159 6.558 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.006 9.765 -4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.496 8.605 -3.244 1.00 0.00 H new ATOM 441 N TYR A 33 68.022 5.951 0.074 1.00 0.00 N ATOM 442 CA TYR A 33 68.815 5.173 1.018 1.00 0.00 C ATOM 443 C TYR A 33 69.874 4.368 0.271 1.00 0.00 C ATOM 444 O TYR A 33 69.689 4.023 -0.896 1.00 0.00 O ATOM 445 CB TYR A 33 67.910 4.215 1.796 1.00 0.00 C ATOM 446 CG TYR A 33 66.906 5.008 2.598 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.280 5.573 3.824 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.597 5.163 2.126 1.00 0.00 C ATOM 449 CE1 TYR A 33 66.347 6.302 4.571 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.675 5.926 2.854 1.00 0.00 C ATOM 451 CZ TYR A 33 65.040 6.463 4.095 1.00 0.00 C ATOM 452 OH TYR A 33 64.127 7.205 4.817 1.00 0.00 O ATOM 0 H TYR A 33 67.134 5.526 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 33 69.302 5.858 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.394 3.546 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.509 3.590 2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.287 5.446 4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.298 4.694 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.635 6.740 5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.685 6.100 2.459 1.00 0.00 H new ATOM 0 HH TYR A 33 63.268 7.217 4.345 1.00 0.00 H new ATOM 462 N VAL A 34 71.033 4.189 0.899 1.00 0.00 N ATOM 463 CA VAL A 34 72.145 3.476 0.276 1.00 0.00 C ATOM 464 C VAL A 34 72.590 2.320 1.167 1.00 0.00 C ATOM 465 O VAL A 34 72.518 2.400 2.393 1.00 0.00 O ATOM 466 CB VAL A 34 73.305 4.446 0.029 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.577 3.673 -0.328 1.00 0.00 C ATOM 468 CG2 VAL A 34 72.942 5.389 -1.120 1.00 0.00 C ATOM 0 H VAL A 34 71.227 4.529 1.841 1.00 0.00 H new ATOM 0 HA VAL A 34 71.821 3.066 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 34 73.485 5.022 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.393 4.375 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 34 74.840 3.006 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.405 3.087 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.766 6.080 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.755 4.807 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.046 5.952 -0.859 1.00 0.00 H new ATOM 478 N GLN A 35 73.043 1.239 0.538 1.00 0.00 N ATOM 479 CA GLN A 35 73.521 0.066 1.262 1.00 0.00 C ATOM 480 C GLN A 35 74.892 -0.347 0.738 1.00 0.00 C ATOM 481 O GLN A 35 75.229 -0.090 -0.418 1.00 0.00 O ATOM 482 CB GLN A 35 72.547 -1.099 1.072 1.00 0.00 C ATOM 483 CG GLN A 35 71.191 -0.753 1.689 1.00 0.00 C ATOM 484 CD GLN A 35 70.166 -1.814 1.304 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.535 -2.897 0.850 1.00 0.00 O ATOM 486 NE2 GLN A 35 68.893 -1.530 1.363 1.00 0.00 N ATOM 0 H GLN A 35 73.089 1.152 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 35 73.592 0.316 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.428 -1.315 0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.949 -1.999 1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.278 -0.695 2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 35 70.862 0.227 1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.588 -0.632 1.739 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.204 -2.206 1.033 1.00 0.00 H new ATOM 495 N TRP A 36 75.694 -0.952 1.609 1.00 0.00 N ATOM 496 CA TRP A 36 77.053 -1.351 1.259 1.00 0.00 C ATOM 497 C TRP A 36 77.174 -2.872 1.255 1.00 0.00 C ATOM 498 O TRP A 36 76.513 -3.556 2.036 1.00 0.00 O ATOM 499 CB TRP A 36 78.022 -0.758 2.284 1.00 0.00 C ATOM 500 CG TRP A 36 77.835 0.723 2.341 1.00 0.00 C ATOM 501 CD1 TRP A 36 76.770 1.337 2.904 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.738 1.783 1.905 1.00 0.00 C ATOM 503 NE1 TRP A 36 76.961 2.704 2.851 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.150 3.031 2.232 1.00 0.00 C ATOM 505 CE3 TRP A 36 79.999 1.787 1.286 1.00 0.00 C ATOM 506 CZ2 TRP A 36 78.774 4.242 1.915 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.615 2.998 0.944 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.018 4.221 1.274 1.00 0.00 C ATOM 0 H TRP A 36 75.424 -1.177 2.567 1.00 0.00 H new ATOM 0 HA TRP A 36 77.294 -0.982 0.262 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.844 -1.197 3.266 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.050 -0.996 2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 36 75.910 0.839 3.327 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.303 3.388 3.224 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.496 0.852 1.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.302 5.181 2.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.560 2.988 0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.517 5.148 1.034 1.00 0.00 H new ATOM 519 N TYR A 37 77.954 -3.403 0.316 1.00 0.00 N ATOM 520 CA TYR A 37 78.105 -4.846 0.154 1.00 0.00 C ATOM 521 C TYR A 37 79.579 -5.204 -0.018 1.00 0.00 C ATOM 522 O TYR A 37 80.369 -4.401 -0.512 1.00 0.00 O ATOM 523 CB TYR A 37 77.302 -5.328 -1.059 1.00 0.00 C ATOM 524 CG TYR A 37 75.868 -5.600 -0.669 1.00 0.00 C ATOM 525 CD1 TYR A 37 74.988 -4.534 -0.445 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.449 -6.915 -0.431 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.668 -4.787 -0.054 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.109 -7.171 -0.117 1.00 0.00 C ATOM 529 CZ TYR A 37 73.227 -6.107 0.104 1.00 0.00 C ATOM 530 OH TYR A 37 71.927 -6.360 0.489 1.00 0.00 O ATOM 0 H TYR A 37 78.495 -2.850 -0.349 1.00 0.00 H new ATOM 0 HA TYR A 37 77.724 -5.341 1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.334 -4.575 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.753 -6.234 -1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.328 -3.517 -0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.157 -7.728 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 37 72.990 -3.965 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.756 -8.189 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 37 71.919 -6.711 1.404 1.00 0.00 H new ATOM 540 N GLN A 38 79.927 -6.436 0.345 1.00 0.00 N ATOM 541 CA GLN A 38 81.292 -6.934 0.199 1.00 0.00 C ATOM 542 C GLN A 38 81.254 -8.272 -0.530 1.00 0.00 C ATOM 543 O GLN A 38 80.464 -9.136 -0.155 1.00 0.00 O ATOM 544 CB GLN A 38 81.922 -7.112 1.589 1.00 0.00 C ATOM 545 CG GLN A 38 83.040 -6.091 1.816 1.00 0.00 C ATOM 546 CD GLN A 38 84.266 -6.489 1.001 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.131 -7.057 -0.082 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.456 -6.338 1.515 1.00 0.00 N ATOM 0 H GLN A 38 79.277 -7.112 0.745 1.00 0.00 H new ATOM 0 HA GLN A 38 81.890 -6.224 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.157 -6.997 2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.321 -8.122 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.703 -5.096 1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.294 -6.043 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.568 -5.867 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.274 -6.691 1.019 1.00 0.00 H new ATOM 557 N GLN A 39 82.258 -8.529 -1.368 1.00 0.00 N ATOM 558 CA GLN A 39 82.313 -9.793 -2.099 1.00 0.00 C ATOM 559 C GLN A 39 83.609 -10.540 -1.808 1.00 0.00 C ATOM 560 O GLN A 39 84.693 -10.087 -2.176 1.00 0.00 O ATOM 561 CB GLN A 39 82.200 -9.534 -3.603 1.00 0.00 C ATOM 562 CG GLN A 39 81.777 -10.820 -4.317 1.00 0.00 C ATOM 563 CD GLN A 39 81.551 -10.553 -5.801 1.00 0.00 C ATOM 564 OE1 GLN A 39 81.675 -9.416 -6.256 1.00 0.00 O ATOM 565 NE2 GLN A 39 81.199 -11.537 -6.582 1.00 0.00 N ATOM 0 H GLN A 39 83.031 -7.891 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 39 81.476 -10.409 -1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 39 81.472 -8.745 -3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.156 -9.186 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.545 -11.583 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.864 -11.210 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 39 81.097 -12.478 -6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 39 81.026 -11.365 -7.572 1.00 0.00 H new ATOM 574 N ARG A 40 83.501 -11.574 -0.978 1.00 0.00 N ATOM 575 CA ARG A 40 84.662 -12.361 -0.575 1.00 0.00 C ATOM 576 C ARG A 40 84.871 -13.546 -1.519 1.00 0.00 C ATOM 577 O ARG A 40 83.926 -14.293 -1.773 1.00 0.00 O ATOM 578 CB ARG A 40 84.467 -12.823 0.875 1.00 0.00 C ATOM 579 CG ARG A 40 85.141 -11.849 1.853 1.00 0.00 C ATOM 580 CD ARG A 40 84.457 -11.883 3.222 1.00 0.00 C ATOM 581 NE ARG A 40 84.678 -13.173 3.866 1.00 0.00 N ATOM 582 CZ ARG A 40 85.672 -13.359 4.729 1.00 0.00 C ATOM 583 NH1 ARG A 40 86.752 -12.631 4.644 1.00 0.00 N ATOM 584 NH2 ARG A 40 85.537 -14.213 5.706 1.00 0.00 N ATOM 0 H ARG A 40 82.619 -11.887 -0.571 1.00 0.00 H new ATOM 0 HA ARG A 40 85.561 -11.747 -0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.403 -12.892 1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 40 84.885 -13.821 1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.194 -12.109 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 40 85.103 -10.838 1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 40 84.847 -11.083 3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 40 83.388 -11.705 3.107 1.00 0.00 H new ATOM 0 HE ARG A 40 84.055 -13.951 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.832 -11.921 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 40 87.516 -12.772 5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 40 84.669 -14.738 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 40 86.300 -14.355 6.368 1.00 0.00 H new ATOM 598 N PRO A 41 86.067 -13.795 -1.993 1.00 0.00 N ATOM 599 CA PRO A 41 86.302 -14.920 -2.942 1.00 0.00 C ATOM 600 C PRO A 41 85.878 -16.250 -2.326 1.00 0.00 C ATOM 601 O PRO A 41 86.116 -16.500 -1.144 1.00 0.00 O ATOM 602 CB PRO A 41 87.807 -14.898 -3.248 1.00 0.00 C ATOM 603 CG PRO A 41 88.411 -13.765 -2.477 1.00 0.00 C ATOM 604 CD PRO A 41 87.281 -12.982 -1.800 1.00 0.00 C ATOM 0 HA PRO A 41 85.713 -14.809 -3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.269 -15.843 -2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.978 -14.768 -4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 41 89.109 -14.144 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.978 -13.114 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.488 -12.832 -0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.166 -11.994 -2.246 1.00 0.00 H new ATOM 612 N GLY A 42 85.321 -17.129 -3.152 1.00 0.00 N ATOM 613 CA GLY A 42 84.917 -18.448 -2.681 1.00 0.00 C ATOM 614 C GLY A 42 83.743 -18.342 -1.712 1.00 0.00 C ATOM 615 O GLY A 42 83.320 -19.340 -1.127 1.00 0.00 O ATOM 0 H GLY A 42 85.140 -16.955 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.638 -19.072 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.758 -18.936 -2.188 1.00 0.00 H new ATOM 619 N SER A 43 83.228 -17.129 -1.533 1.00 0.00 N ATOM 620 CA SER A 43 82.113 -16.895 -0.619 1.00 0.00 C ATOM 621 C SER A 43 81.130 -15.898 -1.224 1.00 0.00 C ATOM 622 O SER A 43 81.502 -15.078 -2.062 1.00 0.00 O ATOM 623 CB SER A 43 82.640 -16.379 0.723 1.00 0.00 C ATOM 624 OG SER A 43 81.816 -16.874 1.768 1.00 0.00 O ATOM 0 H SER A 43 83.565 -16.292 -2.009 1.00 0.00 H new ATOM 0 HA SER A 43 81.588 -17.836 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 43 83.670 -16.702 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.644 -15.289 0.731 1.00 0.00 H new ATOM 0 HG SER A 43 82.150 -16.548 2.630 1.00 0.00 H new ATOM 630 N SER A 44 79.878 -15.960 -0.781 1.00 0.00 N ATOM 631 CA SER A 44 78.850 -15.074 -1.313 1.00 0.00 C ATOM 632 C SER A 44 79.031 -13.665 -0.753 1.00 0.00 C ATOM 633 O SER A 44 79.898 -13.443 0.093 1.00 0.00 O ATOM 634 CB SER A 44 77.461 -15.613 -0.953 1.00 0.00 C ATOM 635 OG SER A 44 76.893 -14.839 0.094 1.00 0.00 O ATOM 0 H SER A 44 79.554 -16.607 -0.063 1.00 0.00 H new ATOM 0 HA SER A 44 78.943 -15.033 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.813 -15.585 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.536 -16.656 -0.645 1.00 0.00 H new ATOM 0 HG SER A 44 76.005 -15.190 0.316 1.00 0.00 H new ATOM 641 N PRO A 45 78.201 -12.732 -1.139 1.00 0.00 N ATOM 642 CA PRO A 45 78.292 -11.335 -0.632 1.00 0.00 C ATOM 643 C PRO A 45 77.812 -11.225 0.813 1.00 0.00 C ATOM 644 O PRO A 45 76.859 -11.896 1.208 1.00 0.00 O ATOM 645 CB PRO A 45 77.414 -10.515 -1.589 1.00 0.00 C ATOM 646 CG PRO A 45 76.947 -11.455 -2.655 1.00 0.00 C ATOM 647 CD PRO A 45 77.093 -12.872 -2.098 1.00 0.00 C ATOM 0 HA PRO A 45 79.320 -10.974 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.567 -10.079 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.979 -9.689 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.910 -11.251 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.539 -11.334 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.178 -13.212 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.325 -13.593 -2.882 1.00 0.00 H new ATOM 655 N THR A 46 78.379 -10.276 1.554 1.00 0.00 N ATOM 656 CA THR A 46 77.949 -10.001 2.922 1.00 0.00 C ATOM 657 C THR A 46 77.656 -8.515 3.091 1.00 0.00 C ATOM 658 O THR A 46 78.558 -7.681 3.006 1.00 0.00 O ATOM 659 CB THR A 46 79.053 -10.422 3.896 1.00 0.00 C ATOM 660 OG1 THR A 46 79.359 -11.793 3.689 1.00 0.00 O ATOM 661 CG2 THR A 46 78.585 -10.221 5.339 1.00 0.00 C ATOM 0 H THR A 46 79.141 -9.682 1.228 1.00 0.00 H new ATOM 0 HA THR A 46 77.041 -10.566 3.132 1.00 0.00 H new ATOM 0 HB THR A 46 79.939 -9.811 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.067 -12.067 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.377 -10.523 6.024 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.347 -9.170 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.697 -10.827 5.521 1.00 0.00 H new ATOM 669 N THR A 47 76.395 -8.186 3.351 1.00 0.00 N ATOM 670 CA THR A 47 76.025 -6.794 3.572 1.00 0.00 C ATOM 671 C THR A 47 76.944 -6.181 4.623 1.00 0.00 C ATOM 672 O THR A 47 76.940 -6.600 5.781 1.00 0.00 O ATOM 673 CB THR A 47 74.566 -6.693 4.021 1.00 0.00 C ATOM 674 OG1 THR A 47 73.717 -7.038 2.936 1.00 0.00 O ATOM 675 CG2 THR A 47 74.248 -5.266 4.472 1.00 0.00 C ATOM 0 H THR A 47 75.624 -8.851 3.413 1.00 0.00 H new ATOM 0 HA THR A 47 76.134 -6.246 2.636 1.00 0.00 H new ATOM 0 HB THR A 47 74.404 -7.375 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 47 74.072 -6.653 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.207 -5.208 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.896 -4.995 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.414 -4.577 3.644 1.00 0.00 H new ATOM 683 N VAL A 48 77.616 -5.096 4.253 1.00 0.00 N ATOM 684 CA VAL A 48 78.536 -4.445 5.177 1.00 0.00 C ATOM 685 C VAL A 48 77.769 -3.457 6.050 1.00 0.00 C ATOM 686 O VAL A 48 78.003 -3.384 7.256 1.00 0.00 O ATOM 687 CB VAL A 48 79.620 -3.699 4.393 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.686 -3.131 5.338 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.278 -4.660 3.400 1.00 0.00 C ATOM 0 H VAL A 48 77.543 -4.655 3.336 1.00 0.00 H new ATOM 0 HA VAL A 48 79.005 -5.201 5.807 1.00 0.00 H new ATOM 0 HB VAL A 48 79.155 -2.870 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.444 -2.606 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.220 -2.437 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.153 -3.946 5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.050 -4.132 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.727 -5.492 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.526 -5.041 2.709 1.00 0.00 H new ATOM 699 N ILE A 49 76.866 -2.690 5.442 1.00 0.00 N ATOM 700 CA ILE A 49 76.073 -1.718 6.189 1.00 0.00 C ATOM 701 C ILE A 49 74.664 -1.602 5.616 1.00 0.00 C ATOM 702 O ILE A 49 74.394 -2.054 4.503 1.00 0.00 O ATOM 703 CB ILE A 49 76.757 -0.347 6.187 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.165 -0.500 6.773 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.927 0.641 7.016 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.860 0.857 6.874 1.00 0.00 C ATOM 0 H ILE A 49 76.667 -2.722 4.442 1.00 0.00 H new ATOM 0 HA ILE A 49 75.997 -2.071 7.217 1.00 0.00 H new ATOM 0 HB ILE A 49 76.833 0.039 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.105 -0.958 7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.754 -1.170 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.414 1.616 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.931 0.732 6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.846 0.278 8.040 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.858 0.725 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 49 78.939 1.300 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.280 1.516 7.520 1.00 0.00 H new ATOM 718 N TYR A 50 73.794 -0.921 6.357 1.00 0.00 N ATOM 719 CA TYR A 50 72.402 -0.736 5.958 1.00 0.00 C ATOM 720 C TYR A 50 71.972 0.705 6.220 1.00 0.00 C ATOM 721 O TYR A 50 72.567 1.405 7.040 1.00 0.00 O ATOM 722 CB TYR A 50 71.511 -1.713 6.740 1.00 0.00 C ATOM 723 CG TYR A 50 70.838 -2.700 5.814 1.00 0.00 C ATOM 724 CD1 TYR A 50 69.862 -2.254 4.915 1.00 0.00 C ATOM 725 CD2 TYR A 50 71.246 -4.039 5.795 1.00 0.00 C ATOM 726 CE1 TYR A 50 69.248 -3.159 4.041 1.00 0.00 C ATOM 727 CE2 TYR A 50 70.628 -4.946 4.925 1.00 0.00 C ATOM 728 CZ TYR A 50 69.638 -4.503 4.041 1.00 0.00 C ATOM 729 OH TYR A 50 69.044 -5.395 3.170 1.00 0.00 O ATOM 0 H TYR A 50 74.033 -0.484 7.247 1.00 0.00 H new ATOM 0 HA TYR A 50 72.299 -0.939 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.112 -2.250 7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.755 -1.156 7.294 1.00 0.00 H new ATOM 0 HD1 TYR A 50 69.582 -1.211 4.896 1.00 0.00 H new ATOM 0 HD2 TYR A 50 72.037 -4.372 6.451 1.00 0.00 H new ATOM 0 HE1 TYR A 50 68.474 -2.820 3.368 1.00 0.00 H new ATOM 0 HE2 TYR A 50 70.915 -5.987 4.936 1.00 0.00 H new ATOM 0 HH TYR A 50 69.431 -6.286 3.300 1.00 0.00 H new ATOM 739 N GLU A 51 70.973 1.156 5.466 1.00 0.00 N ATOM 740 CA GLU A 51 70.458 2.515 5.595 1.00 0.00 C ATOM 741 C GLU A 51 71.620 3.498 5.710 1.00 0.00 C ATOM 742 O GLU A 51 71.444 4.633 6.155 1.00 0.00 O ATOM 743 CB GLU A 51 69.578 2.584 6.851 1.00 0.00 C ATOM 744 CG GLU A 51 68.086 2.501 6.510 1.00 0.00 C ATOM 745 CD GLU A 51 67.514 3.880 6.192 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.167 4.867 6.490 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.386 3.931 5.732 1.00 0.00 O ATOM 0 H GLU A 51 70.502 0.596 4.755 1.00 0.00 H new ATOM 0 HA GLU A 51 69.868 2.779 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.842 1.769 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.777 3.514 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.942 1.839 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 51 67.543 2.064 7.348 1.00 0.00 H new ATOM 754 N ASP A 52 72.790 3.068 5.251 1.00 0.00 N ATOM 755 CA ASP A 52 73.957 3.938 5.182 1.00 0.00 C ATOM 756 C ASP A 52 74.127 4.717 6.481 1.00 0.00 C ATOM 757 O ASP A 52 74.858 5.706 6.532 1.00 0.00 O ATOM 758 CB ASP A 52 73.815 4.915 4.016 1.00 0.00 C ATOM 759 CG ASP A 52 72.691 5.915 4.270 1.00 0.00 C ATOM 760 OD1 ASP A 52 72.686 6.531 5.323 1.00 0.00 O ATOM 761 OD2 ASP A 52 71.835 6.036 3.409 1.00 0.00 O ATOM 0 H ASP A 52 72.955 2.118 4.920 1.00 0.00 H new ATOM 0 HA ASP A 52 74.838 3.315 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.754 5.449 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.614 4.363 3.098 1.00 0.00 H new ATOM 766 N ASN A 53 73.498 4.226 7.542 1.00 0.00 N ATOM 767 CA ASN A 53 73.567 4.872 8.850 1.00 0.00 C ATOM 768 C ASN A 53 74.337 3.998 9.832 1.00 0.00 C ATOM 769 O ASN A 53 74.971 4.498 10.761 1.00 0.00 O ATOM 770 CB ASN A 53 72.156 5.149 9.373 1.00 0.00 C ATOM 771 CG ASN A 53 71.423 3.836 9.627 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.731 3.701 10.635 1.00 0.00 O ATOM 773 ND2 ASN A 53 71.562 2.850 8.784 1.00 0.00 N ATOM 0 H ASN A 53 72.931 3.378 7.523 1.00 0.00 H new ATOM 0 HA ASN A 53 74.094 5.820 8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 53 72.209 5.729 10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.603 5.749 8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 53 71.095 1.960 8.959 1.00 0.00 H new ATOM 0 HD22 ASN A 53 72.137 2.969 7.950 1.00 0.00 H new ATOM 780 N GLN A 54 74.153 2.689 9.703 1.00 0.00 N ATOM 781 CA GLN A 54 74.776 1.746 10.622 1.00 0.00 C ATOM 782 C GLN A 54 74.399 0.321 10.229 1.00 0.00 C ATOM 783 O GLN A 54 73.663 0.112 9.265 1.00 0.00 O ATOM 784 CB GLN A 54 74.334 2.037 12.060 1.00 0.00 C ATOM 785 CG GLN A 54 72.868 2.482 12.087 1.00 0.00 C ATOM 786 CD GLN A 54 72.257 2.206 13.457 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.547 3.049 14.007 1.00 0.00 O ATOM 788 NE2 GLN A 54 72.461 1.049 14.024 1.00 0.00 N ATOM 0 H GLN A 54 73.581 2.259 8.976 1.00 0.00 H new ATOM 0 HA GLN A 54 75.859 1.855 10.566 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.462 1.146 12.674 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.965 2.814 12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.799 3.545 11.858 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.306 1.953 11.317 1.00 0.00 H new ATOM 0 HE21 GLN A 54 73.049 0.353 13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.032 0.840 14.926 1.00 0.00 H new ATOM 797 N ARG A 55 74.798 -0.644 11.053 1.00 0.00 N ATOM 798 CA ARG A 55 74.554 -2.051 10.754 1.00 0.00 C ATOM 799 C ARG A 55 73.994 -2.756 11.986 1.00 0.00 C ATOM 800 O ARG A 55 74.296 -2.357 13.111 1.00 0.00 O ATOM 801 CB ARG A 55 75.875 -2.704 10.336 1.00 0.00 C ATOM 802 CG ARG A 55 76.895 -2.610 11.475 1.00 0.00 C ATOM 803 CD ARG A 55 78.316 -2.667 10.909 1.00 0.00 C ATOM 804 NE ARG A 55 78.706 -1.364 10.383 1.00 0.00 N ATOM 805 CZ ARG A 55 78.959 -0.345 11.198 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.298 -0.572 12.437 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.814 0.883 10.777 1.00 0.00 N ATOM 0 H ARG A 55 75.290 -0.478 11.931 1.00 0.00 H new ATOM 0 HA ARG A 55 73.829 -2.134 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 55 75.706 -3.749 10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.267 -2.212 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.751 -1.681 12.027 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.742 -3.427 12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.013 -2.975 11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.370 -3.416 10.119 1.00 0.00 H new ATOM 0 HE ARG A 55 78.786 -1.233 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.369 -1.530 12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.493 0.209 13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 55 78.506 1.061 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 55 79.009 1.663 11.404 1.00 0.00 H new ATOM 821 N PRO A 56 73.204 -3.785 11.822 1.00 0.00 N ATOM 822 CA PRO A 56 72.590 -4.492 12.980 1.00 0.00 C ATOM 823 C PRO A 56 73.643 -4.864 14.018 1.00 0.00 C ATOM 824 O PRO A 56 74.841 -4.758 13.756 1.00 0.00 O ATOM 825 CB PRO A 56 71.927 -5.736 12.371 1.00 0.00 C ATOM 826 CG PRO A 56 72.350 -5.781 10.938 1.00 0.00 C ATOM 827 CD PRO A 56 72.730 -4.352 10.549 1.00 0.00 C ATOM 0 HA PRO A 56 71.869 -3.870 13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.239 -6.639 12.896 1.00 0.00 H new ATOM 0 HB3 PRO A 56 70.842 -5.678 12.454 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.195 -6.456 10.805 1.00 0.00 H new ATOM 0 HG3 PRO A 56 71.542 -6.152 10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 56 73.506 -4.333 9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 56 71.878 -3.800 10.152 1.00 0.00 H new ATOM 835 N SER A 57 73.196 -5.093 15.247 1.00 0.00 N ATOM 836 CA SER A 57 74.121 -5.495 16.299 1.00 0.00 C ATOM 837 C SER A 57 74.632 -6.908 16.045 1.00 0.00 C ATOM 838 O SER A 57 73.881 -7.784 15.615 1.00 0.00 O ATOM 839 CB SER A 57 73.435 -5.428 17.664 1.00 0.00 C ATOM 840 OG SER A 57 73.300 -4.068 18.050 1.00 0.00 O ATOM 0 H SER A 57 72.221 -5.010 15.536 1.00 0.00 H new ATOM 0 HA SER A 57 74.967 -4.808 16.294 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.456 -5.904 17.616 1.00 0.00 H new ATOM 0 HB3 SER A 57 74.019 -5.973 18.406 1.00 0.00 H new ATOM 0 HG SER A 57 72.859 -4.018 18.924 1.00 0.00 H new ATOM 846 N GLY A 58 75.887 -7.148 16.414 1.00 0.00 N ATOM 847 CA GLY A 58 76.468 -8.483 16.330 1.00 0.00 C ATOM 848 C GLY A 58 77.430 -8.596 15.151 1.00 0.00 C ATOM 849 O GLY A 58 78.492 -9.207 15.274 1.00 0.00 O ATOM 0 H GLY A 58 76.521 -6.435 16.774 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.996 -8.711 17.256 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.673 -9.222 16.226 1.00 0.00 H new ATOM 853 N VAL A 59 77.111 -7.939 14.039 1.00 0.00 N ATOM 854 CA VAL A 59 77.996 -7.977 12.879 1.00 0.00 C ATOM 855 C VAL A 59 79.221 -7.098 13.124 1.00 0.00 C ATOM 856 O VAL A 59 79.134 -6.109 13.850 1.00 0.00 O ATOM 857 CB VAL A 59 77.244 -7.505 11.628 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.503 -8.674 10.974 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.233 -6.424 12.018 1.00 0.00 C ATOM 0 H VAL A 59 76.264 -7.384 13.917 1.00 0.00 H new ATOM 0 HA VAL A 59 78.328 -9.003 12.721 1.00 0.00 H new ATOM 0 HB VAL A 59 77.966 -7.102 10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.975 -8.320 10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.219 -9.444 10.687 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.786 -9.091 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 59 75.698 -6.088 11.129 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.522 -6.833 12.736 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.757 -5.580 12.466 1.00 0.00 H new ATOM 869 N PRO A 60 80.285 -7.311 12.393 1.00 0.00 N ATOM 870 CA PRO A 60 81.552 -6.554 12.605 1.00 0.00 C ATOM 871 C PRO A 60 81.334 -5.055 12.420 1.00 0.00 C ATOM 872 O PRO A 60 80.576 -4.640 11.545 1.00 0.00 O ATOM 873 CB PRO A 60 82.524 -7.114 11.555 1.00 0.00 C ATOM 874 CG PRO A 60 81.784 -8.155 10.773 1.00 0.00 C ATOM 875 CD PRO A 60 80.516 -8.500 11.557 1.00 0.00 C ATOM 0 HA PRO A 60 81.937 -6.672 13.618 1.00 0.00 H new ATOM 0 HB2 PRO A 60 82.879 -6.320 10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.402 -7.546 12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.532 -7.782 9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.402 -9.042 10.633 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.674 -8.691 10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.652 -9.395 12.164 1.00 0.00 H new ATOM 883 N ASP A 61 82.046 -4.248 13.204 1.00 0.00 N ATOM 884 CA ASP A 61 81.946 -2.792 13.119 1.00 0.00 C ATOM 885 C ASP A 61 83.190 -2.200 12.467 1.00 0.00 C ATOM 886 O ASP A 61 83.489 -1.018 12.639 1.00 0.00 O ATOM 887 CB ASP A 61 81.765 -2.198 14.518 1.00 0.00 C ATOM 888 CG ASP A 61 80.338 -2.423 15.010 1.00 0.00 C ATOM 889 OD1 ASP A 61 79.465 -2.614 14.180 1.00 0.00 O ATOM 890 OD2 ASP A 61 80.136 -2.387 16.212 1.00 0.00 O ATOM 0 H ASP A 61 82.703 -4.581 13.910 1.00 0.00 H new ATOM 0 HA ASP A 61 81.081 -2.544 12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.472 -2.657 15.209 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.986 -1.131 14.498 1.00 0.00 H new ATOM 895 N ARG A 62 83.897 -3.019 11.698 1.00 0.00 N ATOM 896 CA ARG A 62 85.136 -2.571 11.077 1.00 0.00 C ATOM 897 C ARG A 62 84.853 -1.524 10.006 1.00 0.00 C ATOM 898 O ARG A 62 85.727 -0.721 9.686 1.00 0.00 O ATOM 899 CB ARG A 62 85.848 -3.762 10.435 1.00 0.00 C ATOM 900 CG ARG A 62 86.156 -4.806 11.508 1.00 0.00 C ATOM 901 CD ARG A 62 86.635 -6.089 10.828 1.00 0.00 C ATOM 902 NE ARG A 62 87.758 -5.793 9.945 1.00 0.00 N ATOM 903 CZ ARG A 62 87.933 -6.448 8.801 1.00 0.00 C ATOM 904 NH1 ARG A 62 88.461 -7.642 8.815 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.455 -5.958 7.691 1.00 0.00 N ATOM 0 H ARG A 62 83.638 -3.984 11.492 1.00 0.00 H new ATOM 0 HA ARG A 62 85.768 -2.129 11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.222 -4.198 9.657 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.770 -3.434 9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.921 -4.432 12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.267 -5.006 12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 62 86.935 -6.819 11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.820 -6.535 10.258 1.00 0.00 H new ATOM 0 HE ARG A 62 88.424 -5.067 10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 62 88.737 -8.067 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 62 88.598 -8.149 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 62 86.948 -5.073 7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 62 87.589 -6.459 6.813 1.00 0.00 H new ATOM 919 N PHE A 63 83.620 -1.496 9.505 1.00 0.00 N ATOM 920 CA PHE A 63 83.231 -0.568 8.445 1.00 0.00 C ATOM 921 C PHE A 63 82.142 0.373 8.952 1.00 0.00 C ATOM 922 O PHE A 63 81.349 0.012 9.821 1.00 0.00 O ATOM 923 CB PHE A 63 82.761 -1.321 7.191 1.00 0.00 C ATOM 924 CG PHE A 63 82.797 -2.812 7.433 1.00 0.00 C ATOM 925 CD1 PHE A 63 81.928 -3.377 8.374 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.702 -3.624 6.738 1.00 0.00 C ATOM 927 CE1 PHE A 63 81.924 -4.761 8.582 1.00 0.00 C ATOM 928 CE2 PHE A 63 83.664 -5.013 6.912 1.00 0.00 C ATOM 929 CZ PHE A 63 82.796 -5.579 7.853 1.00 0.00 C ATOM 0 H PHE A 63 82.868 -2.110 9.819 1.00 0.00 H new ATOM 0 HA PHE A 63 84.104 0.021 8.165 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.749 -1.012 6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 63 83.400 -1.067 6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.260 -2.744 8.940 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.426 -3.181 6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 63 81.249 -5.197 9.304 1.00 0.00 H new ATOM 0 HE2 PHE A 63 84.305 -5.648 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.799 -6.647 8.017 1.00 0.00 H new ATOM 939 N SER A 64 82.111 1.577 8.389 1.00 0.00 N ATOM 940 CA SER A 64 81.110 2.565 8.784 1.00 0.00 C ATOM 941 C SER A 64 80.717 3.425 7.588 1.00 0.00 C ATOM 942 O SER A 64 81.593 3.955 6.909 1.00 0.00 O ATOM 943 CB SER A 64 81.673 3.460 9.890 1.00 0.00 C ATOM 944 OG SER A 64 80.721 4.463 10.213 1.00 0.00 O ATOM 0 H SER A 64 82.759 1.891 7.666 1.00 0.00 H new ATOM 0 HA SER A 64 80.228 2.041 9.152 1.00 0.00 H new ATOM 0 HB2 SER A 64 81.904 2.864 10.773 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.605 3.920 9.562 1.00 0.00 H new ATOM 0 HG SER A 64 81.078 5.037 10.923 1.00 0.00 H new ATOM 950 N GLY A 65 79.417 3.600 7.364 1.00 0.00 N ATOM 951 CA GLY A 65 78.927 4.365 6.221 1.00 0.00 C ATOM 952 C GLY A 65 78.601 5.800 6.624 1.00 0.00 C ATOM 953 O GLY A 65 78.016 6.031 7.682 1.00 0.00 O ATOM 0 H GLY A 65 78.682 3.221 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.678 4.367 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.037 3.887 5.813 1.00 0.00 H new ATOM 957 N SER A 66 78.816 6.736 5.703 1.00 0.00 N ATOM 958 CA SER A 66 78.446 8.130 5.926 1.00 0.00 C ATOM 959 C SER A 66 77.904 8.737 4.637 1.00 0.00 C ATOM 960 O SER A 66 78.301 8.338 3.542 1.00 0.00 O ATOM 961 CB SER A 66 79.670 8.927 6.388 1.00 0.00 C ATOM 962 OG SER A 66 80.329 9.495 5.265 1.00 0.00 O ATOM 0 H SER A 66 79.245 6.554 4.795 1.00 0.00 H new ATOM 0 HA SER A 66 77.676 8.171 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.364 9.714 7.077 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.355 8.276 6.932 1.00 0.00 H new ATOM 0 HG SER A 66 80.606 8.782 4.653 1.00 0.00 H new ATOM 968 N ILE A 67 77.044 9.743 4.771 1.00 0.00 N ATOM 969 CA ILE A 67 76.424 10.382 3.614 1.00 0.00 C ATOM 970 C ILE A 67 76.579 11.898 3.684 1.00 0.00 C ATOM 971 O ILE A 67 76.346 12.506 4.729 1.00 0.00 O ATOM 972 CB ILE A 67 74.952 9.967 3.523 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.076 10.774 4.488 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.830 8.477 3.853 1.00 0.00 C ATOM 975 CD1 ILE A 67 72.622 10.290 4.439 1.00 0.00 C ATOM 0 H ILE A 67 76.761 10.133 5.670 1.00 0.00 H new ATOM 0 HA ILE A 67 76.930 10.050 2.707 1.00 0.00 H new ATOM 0 HB ILE A 67 74.605 10.164 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 67 74.462 10.678 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.121 11.832 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.785 8.175 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.419 7.897 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.200 8.296 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.019 10.877 5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.233 10.410 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.579 9.238 4.722 1.00 0.00 H new ATOM 987 N ASP A 68 76.884 12.511 2.543 1.00 0.00 N ATOM 988 CA ASP A 68 77.064 13.958 2.462 1.00 0.00 C ATOM 989 C ASP A 68 76.028 14.577 1.529 1.00 0.00 C ATOM 990 O ASP A 68 76.272 14.752 0.336 1.00 0.00 O ATOM 991 CB ASP A 68 78.476 14.268 1.955 1.00 0.00 C ATOM 992 CG ASP A 68 79.495 14.137 3.083 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.117 14.330 4.227 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.667 13.993 2.775 1.00 0.00 O ATOM 0 H ASP A 68 77.012 12.024 1.656 1.00 0.00 H new ATOM 0 HA ASP A 68 76.930 14.386 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.734 13.587 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.507 15.278 1.545 1.00 0.00 H new ATOM 999 N SER A 69 74.850 14.856 2.079 1.00 0.00 N ATOM 1000 CA SER A 69 73.769 15.449 1.299 1.00 0.00 C ATOM 1001 C SER A 69 74.252 16.720 0.611 1.00 0.00 C ATOM 1002 O SER A 69 73.698 17.142 -0.404 1.00 0.00 O ATOM 1003 CB SER A 69 72.583 15.760 2.215 1.00 0.00 C ATOM 1004 OG SER A 69 72.478 14.747 3.205 1.00 0.00 O ATOM 0 H SER A 69 74.620 14.682 3.057 1.00 0.00 H new ATOM 0 HA SER A 69 73.451 14.741 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.718 16.733 2.687 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.663 15.813 1.633 1.00 0.00 H new ATOM 0 HG SER A 69 71.720 14.943 3.795 1.00 0.00 H new ATOM 1010 N SER A 70 75.250 17.355 1.214 1.00 0.00 N ATOM 1011 CA SER A 70 75.795 18.595 0.675 1.00 0.00 C ATOM 1012 C SER A 70 76.635 18.329 -0.570 1.00 0.00 C ATOM 1013 O SER A 70 76.465 18.983 -1.599 1.00 0.00 O ATOM 1014 CB SER A 70 76.675 19.235 1.749 1.00 0.00 C ATOM 1015 OG SER A 70 76.076 19.045 3.023 1.00 0.00 O ATOM 0 H SER A 70 75.697 17.033 2.073 1.00 0.00 H new ATOM 0 HA SER A 70 74.975 19.256 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.670 18.790 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 70 76.798 20.299 1.548 1.00 0.00 H new ATOM 0 HG SER A 70 76.639 19.453 3.713 1.00 0.00 H new ATOM 1021 N SER A 71 77.572 17.393 -0.452 1.00 0.00 N ATOM 1022 CA SER A 71 78.479 17.089 -1.552 1.00 0.00 C ATOM 1023 C SER A 71 77.825 16.107 -2.517 1.00 0.00 C ATOM 1024 O SER A 71 78.383 15.788 -3.566 1.00 0.00 O ATOM 1025 CB SER A 71 79.771 16.474 -1.012 1.00 0.00 C ATOM 1026 OG SER A 71 80.721 16.372 -2.064 1.00 0.00 O ATOM 0 H SER A 71 77.722 16.835 0.389 1.00 0.00 H new ATOM 0 HA SER A 71 78.708 18.016 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.170 17.089 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.570 15.488 -0.592 1.00 0.00 H new ATOM 0 HG SER A 71 80.270 16.083 -2.885 1.00 0.00 H new ATOM 1032 N ASN A 72 76.656 15.607 -2.131 1.00 0.00 N ATOM 1033 CA ASN A 72 75.928 14.673 -2.984 1.00 0.00 C ATOM 1034 C ASN A 72 76.727 13.390 -3.200 1.00 0.00 C ATOM 1035 O ASN A 72 76.857 12.918 -4.329 1.00 0.00 O ATOM 1036 CB ASN A 72 75.632 15.318 -4.341 1.00 0.00 C ATOM 1037 CG ASN A 72 74.571 14.524 -5.096 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.439 14.986 -5.242 1.00 0.00 O ATOM 1039 ND2 ASN A 72 74.866 13.360 -5.606 1.00 0.00 N ATOM 0 H ASN A 72 76.197 15.828 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 72 74.992 14.424 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.291 16.343 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.546 15.367 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.160 12.836 -6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.803 12.974 -5.487 1.00 0.00 H new ATOM 1046 N SER A 73 77.386 12.908 -2.151 1.00 0.00 N ATOM 1047 CA SER A 73 78.203 11.703 -2.260 1.00 0.00 C ATOM 1048 C SER A 73 78.286 10.987 -0.916 1.00 0.00 C ATOM 1049 O SER A 73 77.987 11.574 0.124 1.00 0.00 O ATOM 1050 CB SER A 73 79.612 12.072 -2.732 1.00 0.00 C ATOM 1051 OG SER A 73 80.372 12.552 -1.632 1.00 0.00 O ATOM 0 H SER A 73 77.371 13.329 -1.222 1.00 0.00 H new ATOM 0 HA SER A 73 77.738 11.035 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.099 11.201 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.558 12.834 -3.510 1.00 0.00 H new ATOM 0 HG SER A 73 81.274 12.786 -1.935 1.00 0.00 H new ATOM 1057 N ALA A 74 78.747 9.738 -0.930 1.00 0.00 N ATOM 1058 CA ALA A 74 78.865 8.953 0.297 1.00 0.00 C ATOM 1059 C ALA A 74 80.332 8.705 0.631 1.00 0.00 C ATOM 1060 O ALA A 74 81.195 8.762 -0.243 1.00 0.00 O ATOM 1061 CB ALA A 74 78.137 7.613 0.149 1.00 0.00 C ATOM 0 H ALA A 74 79.044 9.249 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 74 78.406 9.518 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 78.235 7.042 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 74 77.082 7.793 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.575 7.050 -0.675 1.00 0.00 H new ATOM 1067 N SER A 75 80.603 8.465 1.911 1.00 0.00 N ATOM 1068 CA SER A 75 81.959 8.176 2.365 1.00 0.00 C ATOM 1069 C SER A 75 81.933 7.212 3.545 1.00 0.00 C ATOM 1070 O SER A 75 81.356 7.514 4.590 1.00 0.00 O ATOM 1071 CB SER A 75 82.658 9.471 2.784 1.00 0.00 C ATOM 1072 OG SER A 75 82.419 10.471 1.804 1.00 0.00 O ATOM 0 H SER A 75 79.902 8.465 2.652 1.00 0.00 H new ATOM 0 HA SER A 75 82.506 7.716 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.287 9.801 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.729 9.301 2.893 1.00 0.00 H new ATOM 0 HG SER A 75 82.864 11.303 2.070 1.00 0.00 H new ATOM 1078 N LEU A 76 82.520 6.031 3.366 1.00 0.00 N ATOM 1079 CA LEU A 76 82.559 5.028 4.428 1.00 0.00 C ATOM 1080 C LEU A 76 83.906 5.069 5.141 1.00 0.00 C ATOM 1081 O LEU A 76 84.950 5.157 4.499 1.00 0.00 O ATOM 1082 CB LEU A 76 82.246 3.638 3.853 1.00 0.00 C ATOM 1083 CG LEU A 76 83.048 2.513 4.524 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.370 1.165 4.252 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.507 2.496 4.044 1.00 0.00 C ATOM 0 H LEU A 76 82.974 5.745 2.498 1.00 0.00 H new ATOM 0 HA LEU A 76 81.793 5.252 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.181 3.435 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.457 3.638 2.784 1.00 0.00 H new ATOM 0 HG LEU A 76 83.065 2.696 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.941 0.368 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.358 1.179 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.329 0.989 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.044 1.687 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.533 2.341 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.981 3.448 4.286 1.00 0.00 H new ATOM 1097 N THR A 77 83.881 4.962 6.467 1.00 0.00 N ATOM 1098 CA THR A 77 85.108 4.904 7.254 1.00 0.00 C ATOM 1099 C THR A 77 85.342 3.490 7.777 1.00 0.00 C ATOM 1100 O THR A 77 84.509 2.942 8.499 1.00 0.00 O ATOM 1101 CB THR A 77 84.994 5.868 8.438 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.719 7.173 7.953 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.293 5.890 9.251 1.00 0.00 C ATOM 0 H THR A 77 83.024 4.914 7.018 1.00 0.00 H new ATOM 0 HA THR A 77 85.947 5.187 6.619 1.00 0.00 H new ATOM 0 HB THR A 77 84.186 5.530 9.087 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.643 7.793 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.188 6.582 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.501 4.890 9.632 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.116 6.214 8.614 1.00 0.00 H new ATOM 1111 N ILE A 78 86.493 2.916 7.436 1.00 0.00 N ATOM 1112 CA ILE A 78 86.858 1.579 7.897 1.00 0.00 C ATOM 1113 C ILE A 78 88.045 1.663 8.850 1.00 0.00 C ATOM 1114 O ILE A 78 89.135 2.081 8.459 1.00 0.00 O ATOM 1115 CB ILE A 78 87.170 0.703 6.676 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.917 -0.023 6.175 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.254 -0.340 6.968 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.153 -0.579 4.769 1.00 0.00 C ATOM 0 H ILE A 78 87.192 3.358 6.839 1.00 0.00 H new ATOM 0 HA ILE A 78 86.031 1.128 8.446 1.00 0.00 H new ATOM 0 HB ILE A 78 87.536 1.384 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.662 -0.835 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.070 0.663 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.438 -0.934 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.174 0.164 7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.922 -0.993 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.255 -1.092 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.386 0.240 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 78 86.986 -1.281 4.791 1.00 0.00 H new ATOM 1130 N SER A 79 87.894 1.025 10.007 1.00 0.00 N ATOM 1131 CA SER A 79 88.953 0.981 11.010 1.00 0.00 C ATOM 1132 C SER A 79 89.345 -0.460 11.317 1.00 0.00 C ATOM 1133 O SER A 79 88.522 -1.259 11.764 1.00 0.00 O ATOM 1134 CB SER A 79 88.484 1.678 12.289 1.00 0.00 C ATOM 1135 OG SER A 79 89.270 1.235 13.385 1.00 0.00 O ATOM 0 H SER A 79 87.044 0.529 10.274 1.00 0.00 H new ATOM 0 HA SER A 79 89.827 1.499 10.615 1.00 0.00 H new ATOM 0 HB2 SER A 79 88.570 2.759 12.179 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.432 1.459 12.470 1.00 0.00 H new ATOM 0 HG SER A 79 88.971 1.682 14.204 1.00 0.00 H new ATOM 1141 N GLY A 80 90.618 -0.770 11.091 1.00 0.00 N ATOM 1142 CA GLY A 80 91.148 -2.101 11.370 1.00 0.00 C ATOM 1143 C GLY A 80 91.083 -2.990 10.133 1.00 0.00 C ATOM 1144 O GLY A 80 90.309 -3.947 10.093 1.00 0.00 O ATOM 0 H GLY A 80 91.304 -0.116 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.181 -2.020 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.581 -2.559 12.180 1.00 0.00 H new ATOM 1148 N LEU A 81 91.758 -2.570 9.067 1.00 0.00 N ATOM 1149 CA LEU A 81 91.767 -3.336 7.826 1.00 0.00 C ATOM 1150 C LEU A 81 92.820 -4.442 7.863 1.00 0.00 C ATOM 1151 O LEU A 81 93.935 -4.230 8.337 1.00 0.00 O ATOM 1152 CB LEU A 81 92.004 -2.405 6.635 1.00 0.00 C ATOM 1153 CG LEU A 81 93.424 -1.814 6.668 1.00 0.00 C ATOM 1154 CD1 LEU A 81 94.269 -2.394 5.530 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.396 -0.291 6.516 1.00 0.00 C ATOM 0 H LEU A 81 92.303 -1.708 9.038 1.00 0.00 H new ATOM 0 HA LEU A 81 90.793 -3.812 7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.857 -2.954 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.271 -1.599 6.648 1.00 0.00 H new ATOM 0 HG LEU A 81 93.859 -2.073 7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 81 95.271 -1.966 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 81 94.332 -3.477 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.806 -2.152 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.415 0.096 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.934 -0.029 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 81 92.820 0.146 7.332 1.00 0.00 H new ATOM 1167 N LYS A 82 92.456 -5.632 7.391 1.00 0.00 N ATOM 1168 CA LYS A 82 93.369 -6.773 7.392 1.00 0.00 C ATOM 1169 C LYS A 82 93.107 -7.660 6.177 1.00 0.00 C ATOM 1170 O LYS A 82 92.118 -7.482 5.466 1.00 0.00 O ATOM 1171 CB LYS A 82 93.186 -7.571 8.691 1.00 0.00 C ATOM 1172 CG LYS A 82 94.198 -7.138 9.759 1.00 0.00 C ATOM 1173 CD LYS A 82 95.514 -7.903 9.587 1.00 0.00 C ATOM 1174 CE LYS A 82 96.493 -7.510 10.696 1.00 0.00 C ATOM 1175 NZ LYS A 82 97.538 -8.564 10.833 1.00 0.00 N ATOM 0 H LYS A 82 91.534 -5.832 7.002 1.00 0.00 H new ATOM 0 HA LYS A 82 94.397 -6.414 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 82 92.173 -7.429 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.303 -8.635 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.380 -6.066 9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 82 93.790 -7.323 10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 82 95.328 -8.976 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 82 95.948 -7.683 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 82 96.957 -6.551 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.960 -7.386 11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 98.203 -8.297 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 97.088 -9.470 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 98.053 -8.661 9.935 1.00 0.00 H new ATOM 1189 N THR A 83 93.942 -8.681 6.011 1.00 0.00 N ATOM 1190 CA THR A 83 93.807 -9.602 4.887 1.00 0.00 C ATOM 1191 C THR A 83 92.439 -10.267 4.883 1.00 0.00 C ATOM 1192 O THR A 83 91.817 -10.424 3.833 1.00 0.00 O ATOM 1193 CB THR A 83 94.889 -10.681 4.974 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.667 -11.474 6.131 1.00 0.00 O ATOM 1195 CG2 THR A 83 96.262 -10.010 5.067 1.00 0.00 C ATOM 0 H THR A 83 94.718 -8.892 6.639 1.00 0.00 H new ATOM 0 HA THR A 83 93.919 -9.031 3.965 1.00 0.00 H new ATOM 0 HB THR A 83 94.853 -11.314 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 83 95.357 -12.168 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 83 97.037 -10.774 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 83 96.428 -9.396 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 83 96.300 -9.381 5.957 1.00 0.00 H new ATOM 1203 N GLU A 84 91.930 -10.527 6.080 1.00 0.00 N ATOM 1204 CA GLU A 84 90.573 -11.042 6.211 1.00 0.00 C ATOM 1205 C GLU A 84 89.600 -10.101 5.508 1.00 0.00 C ATOM 1206 O GLU A 84 88.413 -10.404 5.382 1.00 0.00 O ATOM 1207 CB GLU A 84 90.203 -11.217 7.690 1.00 0.00 C ATOM 1208 CG GLU A 84 91.068 -10.304 8.562 1.00 0.00 C ATOM 1209 CD GLU A 84 90.486 -10.221 9.968 1.00 0.00 C ATOM 1210 OE1 GLU A 84 89.608 -9.401 10.179 1.00 0.00 O ATOM 1211 OE2 GLU A 84 90.940 -10.968 10.820 1.00 0.00 O ATOM 0 H GLU A 84 92.426 -10.393 6.961 1.00 0.00 H new ATOM 0 HA GLU A 84 90.513 -12.022 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.149 -10.983 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 84 90.344 -12.256 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 84 92.088 -10.687 8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 84 91.119 -9.308 8.121 1.00 0.00 H new ATOM 1218 N ASP A 85 90.119 -8.983 5.006 1.00 0.00 N ATOM 1219 CA ASP A 85 89.298 -7.989 4.321 1.00 0.00 C ATOM 1220 C ASP A 85 89.586 -8.009 2.824 1.00 0.00 C ATOM 1221 O ASP A 85 88.685 -7.752 2.025 1.00 0.00 O ATOM 1222 CB ASP A 85 89.574 -6.587 4.870 1.00 0.00 C ATOM 1223 CG ASP A 85 89.745 -6.623 6.385 1.00 0.00 C ATOM 1224 OD1 ASP A 85 89.972 -7.690 6.928 1.00 0.00 O ATOM 1225 OD2 ASP A 85 89.686 -5.564 6.983 1.00 0.00 O ATOM 0 H ASP A 85 91.109 -8.743 5.061 1.00 0.00 H new ATOM 0 HA ASP A 85 88.251 -8.238 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.474 -6.181 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.752 -5.921 4.608 1.00 0.00 H new ATOM 1230 N GLU A 86 90.841 -8.263 2.455 1.00 0.00 N ATOM 1231 CA GLU A 86 91.222 -8.334 1.047 1.00 0.00 C ATOM 1232 C GLU A 86 90.083 -8.872 0.187 1.00 0.00 C ATOM 1233 O GLU A 86 89.799 -10.070 0.212 1.00 0.00 O ATOM 1234 CB GLU A 86 92.441 -9.248 0.890 1.00 0.00 C ATOM 1235 CG GLU A 86 92.797 -9.424 -0.590 1.00 0.00 C ATOM 1236 CD GLU A 86 94.025 -10.318 -0.723 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.205 -11.159 0.142 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.618 -10.306 -1.789 1.00 0.00 O ATOM 0 H GLU A 86 91.607 -8.422 3.109 1.00 0.00 H new ATOM 0 HA GLU A 86 91.459 -7.324 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 86 93.291 -8.825 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.233 -10.220 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 86 91.956 -9.864 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.992 -8.453 -1.045 1.00 0.00 H new ATOM 1245 N ALA A 87 89.373 -7.981 -0.500 1.00 0.00 N ATOM 1246 CA ALA A 87 88.267 -8.422 -1.341 1.00 0.00 C ATOM 1247 C ALA A 87 87.739 -7.284 -2.209 1.00 0.00 C ATOM 1248 O ALA A 87 88.345 -6.216 -2.296 1.00 0.00 O ATOM 1249 CB ALA A 87 87.139 -8.975 -0.464 1.00 0.00 C ATOM 0 H ALA A 87 89.538 -6.974 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 87 88.636 -9.206 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.314 -9.304 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.510 -9.820 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.789 -8.196 0.213 1.00 0.00 H new ATOM 1255 N ASP A 88 86.613 -7.543 -2.868 1.00 0.00 N ATOM 1256 CA ASP A 88 85.958 -6.551 -3.716 1.00 0.00 C ATOM 1257 C ASP A 88 84.687 -6.036 -3.045 1.00 0.00 C ATOM 1258 O ASP A 88 83.808 -6.814 -2.674 1.00 0.00 O ATOM 1259 CB ASP A 88 85.638 -7.162 -5.087 1.00 0.00 C ATOM 1260 CG ASP A 88 86.572 -8.331 -5.385 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.751 -8.215 -5.096 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.072 -9.363 -5.802 1.00 0.00 O ATOM 0 H ASP A 88 86.131 -8.441 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 88 86.633 -5.708 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.603 -7.502 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.739 -6.402 -5.862 1.00 0.00 H new ATOM 1267 N TYR A 89 84.578 -4.715 -2.947 1.00 0.00 N ATOM 1268 CA TYR A 89 83.410 -4.068 -2.357 1.00 0.00 C ATOM 1269 C TYR A 89 82.351 -3.787 -3.420 1.00 0.00 C ATOM 1270 O TYR A 89 82.631 -3.840 -4.616 1.00 0.00 O ATOM 1271 CB TYR A 89 83.834 -2.759 -1.680 1.00 0.00 C ATOM 1272 CG TYR A 89 84.301 -3.012 -0.264 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.578 -3.537 -0.028 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.457 -2.716 0.813 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.020 -3.731 1.286 1.00 0.00 C ATOM 1276 CE2 TYR A 89 83.902 -2.906 2.127 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.165 -3.461 2.362 1.00 0.00 C ATOM 1278 OH TYR A 89 85.600 -3.657 3.657 1.00 0.00 O ATOM 0 H TYR A 89 85.293 -4.065 -3.273 1.00 0.00 H new ATOM 0 HA TYR A 89 82.978 -4.738 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.634 -2.291 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 89 82.997 -2.061 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.220 -3.792 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 89 82.461 -2.340 0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.022 -4.089 1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.272 -2.625 2.958 1.00 0.00 H new ATOM 0 HH TYR A 89 86.568 -3.513 3.702 1.00 0.00 H new ATOM 1288 N TYR A 90 81.139 -3.472 -2.969 1.00 0.00 N ATOM 1289 CA TYR A 90 80.028 -3.138 -3.856 1.00 0.00 C ATOM 1290 C TYR A 90 79.232 -1.968 -3.274 1.00 0.00 C ATOM 1291 O TYR A 90 79.292 -1.714 -2.071 1.00 0.00 O ATOM 1292 CB TYR A 90 79.145 -4.382 -4.042 1.00 0.00 C ATOM 1293 CG TYR A 90 79.415 -5.061 -5.367 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.509 -5.922 -5.511 1.00 0.00 C ATOM 1295 CD2 TYR A 90 78.538 -4.862 -6.440 1.00 0.00 C ATOM 1296 CE1 TYR A 90 80.761 -6.532 -6.746 1.00 0.00 C ATOM 1297 CE2 TYR A 90 78.805 -5.450 -7.681 1.00 0.00 C ATOM 1298 CZ TYR A 90 79.905 -6.302 -7.829 1.00 0.00 C ATOM 1299 OH TYR A 90 80.146 -6.908 -9.045 1.00 0.00 O ATOM 0 H TYR A 90 80.900 -3.441 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 90 80.404 -2.830 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.328 -5.084 -3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.095 -4.096 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.158 -6.116 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 90 77.655 -4.254 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 90 81.617 -7.181 -6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 90 78.162 -5.246 -8.525 1.00 0.00 H new ATOM 0 HH TYR A 90 79.455 -6.641 -9.686 1.00 0.00 H new ATOM 1309 N CYS A 91 78.513 -1.240 -4.128 1.00 0.00 N ATOM 1310 CA CYS A 91 77.701 -0.091 -3.719 1.00 0.00 C ATOM 1311 C CYS A 91 76.289 -0.325 -4.264 1.00 0.00 C ATOM 1312 O CYS A 91 76.124 -0.836 -5.372 1.00 0.00 O ATOM 1313 CB CYS A 91 78.310 1.214 -4.272 1.00 0.00 C ATOM 1314 SG CYS A 91 78.908 2.402 -3.026 1.00 0.00 S ATOM 0 H CYS A 91 78.476 -1.431 -5.129 1.00 0.00 H new ATOM 0 HA CYS A 91 77.672 0.008 -2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.141 0.955 -4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.560 1.710 -4.888 1.00 0.00 H new ATOM 1319 N GLN A 92 75.264 0.042 -3.497 1.00 0.00 N ATOM 1320 CA GLN A 92 73.878 -0.045 -3.954 1.00 0.00 C ATOM 1321 C GLN A 92 73.155 1.270 -3.679 1.00 0.00 C ATOM 1322 O GLN A 92 73.009 1.669 -2.524 1.00 0.00 O ATOM 1323 CB GLN A 92 73.141 -1.164 -3.214 1.00 0.00 C ATOM 1324 CG GLN A 92 73.792 -2.517 -3.507 1.00 0.00 C ATOM 1325 CD GLN A 92 73.024 -3.626 -2.795 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.028 -3.360 -2.121 1.00 0.00 O ATOM 1327 NE2 GLN A 92 73.414 -4.864 -2.927 1.00 0.00 N ATOM 0 H GLN A 92 75.369 0.405 -2.550 1.00 0.00 H new ATOM 0 HA GLN A 92 73.886 -0.254 -5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.156 -0.971 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.095 -1.183 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.802 -2.701 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.830 -2.511 -3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.239 -5.082 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.894 -5.614 -2.472 1.00 0.00 H new ATOM 1336 N SER A 93 72.674 1.926 -4.731 1.00 0.00 N ATOM 1337 CA SER A 93 71.967 3.197 -4.590 1.00 0.00 C ATOM 1338 C SER A 93 70.545 3.088 -5.127 1.00 0.00 C ATOM 1339 O SER A 93 70.224 2.178 -5.892 1.00 0.00 O ATOM 1340 CB SER A 93 72.707 4.298 -5.353 1.00 0.00 C ATOM 1341 OG SER A 93 72.236 4.345 -6.691 1.00 0.00 O ATOM 0 H SER A 93 72.761 1.598 -5.693 1.00 0.00 H new ATOM 0 HA SER A 93 71.929 3.445 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.550 5.261 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.780 4.106 -5.340 1.00 0.00 H new ATOM 0 HG SER A 93 72.155 5.279 -6.977 1.00 0.00 H new ATOM 1347 N TYR A 94 69.714 4.062 -4.768 1.00 0.00 N ATOM 1348 CA TYR A 94 68.335 4.108 -5.243 1.00 0.00 C ATOM 1349 C TYR A 94 67.995 5.496 -5.776 1.00 0.00 C ATOM 1350 O TYR A 94 68.316 6.508 -5.155 1.00 0.00 O ATOM 1351 CB TYR A 94 67.382 3.746 -4.101 1.00 0.00 C ATOM 1352 CG TYR A 94 67.446 2.260 -3.837 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.507 1.723 -3.097 1.00 0.00 C ATOM 1354 CD2 TYR A 94 66.433 1.422 -4.319 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.542 0.351 -2.819 1.00 0.00 C ATOM 1356 CE2 TYR A 94 66.470 0.050 -4.043 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.537 -0.489 -3.314 1.00 0.00 C ATOM 1358 OH TYR A 94 67.579 -1.844 -3.054 1.00 0.00 O ATOM 0 H TYR A 94 69.972 4.831 -4.149 1.00 0.00 H new ATOM 0 HA TYR A 94 68.223 3.388 -6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.652 4.297 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.363 4.036 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.298 2.367 -2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 94 65.624 1.834 -4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 94 69.344 -0.059 -2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 94 65.675 -0.593 -4.392 1.00 0.00 H new ATOM 0 HH TYR A 94 66.806 -2.281 -3.469 1.00 0.00 H new ATOM 1368 N ASP A 95 67.339 5.535 -6.931 1.00 0.00 N ATOM 1369 CA ASP A 95 66.935 6.804 -7.525 1.00 0.00 C ATOM 1370 C ASP A 95 65.682 7.332 -6.832 1.00 0.00 C ATOM 1371 O ASP A 95 65.037 6.612 -6.070 1.00 0.00 O ATOM 1372 CB ASP A 95 66.675 6.606 -9.022 1.00 0.00 C ATOM 1373 CG ASP A 95 66.920 7.901 -9.789 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.053 8.124 -10.182 1.00 0.00 O ATOM 1375 OD2 ASP A 95 65.979 8.658 -9.960 1.00 0.00 O ATOM 0 H ASP A 95 67.078 4.710 -7.471 1.00 0.00 H new ATOM 0 HA ASP A 95 67.733 7.535 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 95 67.325 5.821 -9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.648 6.275 -9.177 1.00 0.00 H new ATOM 1380 N SER A 96 65.379 8.608 -7.049 1.00 0.00 N ATOM 1381 CA SER A 96 64.201 9.212 -6.437 1.00 0.00 C ATOM 1382 C SER A 96 62.963 8.360 -6.697 1.00 0.00 C ATOM 1383 O SER A 96 61.997 8.401 -5.935 1.00 0.00 O ATOM 1384 CB SER A 96 63.983 10.618 -7.001 1.00 0.00 C ATOM 1385 OG SER A 96 62.648 11.029 -6.742 1.00 0.00 O ATOM 0 H SER A 96 65.926 9.237 -7.637 1.00 0.00 H new ATOM 0 HA SER A 96 64.365 9.273 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 96 64.685 11.317 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 96 64.176 10.625 -8.074 1.00 0.00 H new ATOM 0 HG SER A 96 62.508 11.930 -7.101 1.00 0.00 H new ATOM 1391 N SER A 97 62.990 7.608 -7.793 1.00 0.00 N ATOM 1392 CA SER A 97 61.868 6.751 -8.155 1.00 0.00 C ATOM 1393 C SER A 97 61.895 5.459 -7.344 1.00 0.00 C ATOM 1394 O SER A 97 61.074 4.567 -7.555 1.00 0.00 O ATOM 1395 CB SER A 97 61.927 6.434 -9.652 1.00 0.00 C ATOM 1396 OG SER A 97 62.395 7.575 -10.356 1.00 0.00 O ATOM 0 H SER A 97 63.775 7.575 -8.444 1.00 0.00 H new ATOM 0 HA SER A 97 60.939 7.275 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 97 62.589 5.586 -9.830 1.00 0.00 H new ATOM 0 HB3 SER A 97 60.939 6.149 -10.014 1.00 0.00 H new ATOM 0 HG SER A 97 62.435 7.374 -11.314 1.00 0.00 H new ATOM 1402 N ASN A 98 62.883 5.344 -6.462 1.00 0.00 N ATOM 1403 CA ASN A 98 63.052 4.136 -5.663 1.00 0.00 C ATOM 1404 C ASN A 98 63.408 2.945 -6.547 1.00 0.00 C ATOM 1405 O ASN A 98 62.926 1.835 -6.322 1.00 0.00 O ATOM 1406 CB ASN A 98 61.763 3.833 -4.894 1.00 0.00 C ATOM 1407 CG ASN A 98 61.158 5.126 -4.359 1.00 0.00 C ATOM 1408 OD1 ASN A 98 59.937 5.250 -4.271 1.00 0.00 O ATOM 1409 ND2 ASN A 98 61.942 6.095 -3.970 1.00 0.00 N ATOM 0 H ASN A 98 63.576 6.070 -6.283 1.00 0.00 H new ATOM 0 HA ASN A 98 63.867 4.305 -4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 98 61.049 3.331 -5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 98 61.973 3.152 -4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 98 61.542 6.954 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 98 62.954 5.992 -4.043 1.00 0.00 H new ATOM 1416 N HIS A 99 64.370 3.141 -7.444 1.00 0.00 N ATOM 1417 CA HIS A 99 64.810 2.076 -8.342 1.00 0.00 C ATOM 1418 C HIS A 99 66.187 1.575 -7.920 1.00 0.00 C ATOM 1419 O HIS A 99 67.133 2.354 -7.812 1.00 0.00 O ATOM 1420 CB HIS A 99 64.887 2.598 -9.779 1.00 0.00 C ATOM 1421 CG HIS A 99 65.408 1.511 -10.680 1.00 0.00 C ATOM 1422 ND1 HIS A 99 66.039 1.784 -11.882 1.00 0.00 N ATOM 1423 CD2 HIS A 99 65.418 0.143 -10.552 1.00 0.00 C ATOM 1424 CE1 HIS A 99 66.387 0.611 -12.435 1.00 0.00 C ATOM 1425 NE2 HIS A 99 66.026 -0.423 -11.671 1.00 0.00 N ATOM 0 H HIS A 99 64.860 4.027 -7.569 1.00 0.00 H new ATOM 0 HA HIS A 99 64.091 1.258 -8.290 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.901 2.921 -10.113 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.541 3.469 -9.826 1.00 0.00 H new ATOM 0 HD2 HIS A 99 65.017 -0.408 -9.714 1.00 0.00 H new ATOM 0 HE1 HIS A 99 66.897 0.515 -13.382 1.00 0.00 H new ATOM 0 HE2 HIS A 99 66.165 -1.415 -11.865 1.00 0.00 H new ATOM 1433 N VAL A 100 66.303 0.264 -7.735 1.00 0.00 N ATOM 1434 CA VAL A 100 67.558 -0.322 -7.281 1.00 0.00 C ATOM 1435 C VAL A 100 68.607 -0.263 -8.386 1.00 0.00 C ATOM 1436 O VAL A 100 68.360 -0.698 -9.510 1.00 0.00 O ATOM 1437 CB VAL A 100 67.344 -1.776 -6.847 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.046 -2.636 -8.081 1.00 0.00 C ATOM 1439 CG2 VAL A 100 68.573 -2.317 -6.098 1.00 0.00 C ATOM 0 H VAL A 100 65.551 -0.407 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 100 67.913 0.255 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 100 66.496 -1.817 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 100 66.893 -3.671 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.146 -2.267 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.886 -2.583 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 100 68.393 -3.350 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.445 -2.273 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 100 68.753 -1.711 -5.210 1.00 0.00 H new ATOM 1449 N VAL A 101 69.762 0.319 -8.076 1.00 0.00 N ATOM 1450 CA VAL A 101 70.855 0.408 -9.038 1.00 0.00 C ATOM 1451 C VAL A 101 72.169 0.001 -8.380 1.00 0.00 C ATOM 1452 O VAL A 101 72.388 0.256 -7.196 1.00 0.00 O ATOM 1453 CB VAL A 101 70.952 1.842 -9.570 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.215 1.988 -10.426 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.701 2.198 -10.385 1.00 0.00 C ATOM 0 H VAL A 101 69.965 0.735 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 101 70.659 -0.270 -9.868 1.00 0.00 H new ATOM 0 HB VAL A 101 71.014 2.532 -8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.283 3.008 -10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.093 1.767 -9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.169 1.293 -11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.786 3.220 -10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.609 1.513 -11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.818 2.114 -9.751 1.00 0.00 H new ATOM 1465 N PHE A 102 73.070 -0.567 -9.177 1.00 0.00 N ATOM 1466 CA PHE A 102 74.357 -1.039 -8.677 1.00 0.00 C ATOM 1467 C PHE A 102 75.485 -0.237 -9.316 1.00 0.00 C ATOM 1468 O PHE A 102 75.442 0.068 -10.508 1.00 0.00 O ATOM 1469 CB PHE A 102 74.541 -2.518 -9.026 1.00 0.00 C ATOM 1470 CG PHE A 102 73.445 -3.331 -8.379 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.139 -3.254 -8.877 1.00 0.00 C ATOM 1472 CD2 PHE A 102 73.738 -4.189 -7.312 1.00 0.00 C ATOM 1473 CE1 PHE A 102 71.118 -4.009 -8.288 1.00 0.00 C ATOM 1474 CE2 PHE A 102 72.716 -4.943 -6.722 1.00 0.00 C ATOM 1475 CZ PHE A 102 71.410 -4.862 -7.217 1.00 0.00 C ATOM 0 H PHE A 102 72.931 -0.712 -10.177 1.00 0.00 H new ATOM 0 HA PHE A 102 74.381 -0.911 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 102 74.517 -2.653 -10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.516 -2.865 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 102 71.919 -2.611 -9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 102 74.750 -4.269 -6.945 1.00 0.00 H new ATOM 0 HE1 PHE A 102 70.107 -3.934 -8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 102 72.936 -5.588 -5.884 1.00 0.00 H new ATOM 0 HZ PHE A 102 70.627 -5.458 -6.773 1.00 0.00 H new ATOM 1485 N GLY A 103 76.465 0.149 -8.505 1.00 0.00 N ATOM 1486 CA GLY A 103 77.582 0.951 -8.993 1.00 0.00 C ATOM 1487 C GLY A 103 78.724 0.058 -9.467 1.00 0.00 C ATOM 1488 O GLY A 103 78.702 -1.156 -9.264 1.00 0.00 O ATOM 0 H GLY A 103 76.509 -0.079 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.248 1.587 -9.812 1.00 0.00 H new ATOM 0 HA3 GLY A 103 77.935 1.611 -8.201 1.00 0.00 H new ATOM 1492 N GLY A 104 79.749 0.680 -10.041 1.00 0.00 N ATOM 1493 CA GLY A 104 80.913 -0.059 -10.514 1.00 0.00 C ATOM 1494 C GLY A 104 81.568 -0.825 -9.370 1.00 0.00 C ATOM 1495 O GLY A 104 82.335 -1.762 -9.595 1.00 0.00 O ATOM 0 H GLY A 104 79.797 1.688 -10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.614 -0.754 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.633 0.630 -10.955 1.00 0.00 H new ATOM 1499 N GLY A 105 81.313 -0.381 -8.144 1.00 0.00 N ATOM 1500 CA GLY A 105 81.912 -1.012 -6.974 1.00 0.00 C ATOM 1501 C GLY A 105 83.343 -0.528 -6.772 1.00 0.00 C ATOM 1502 O GLY A 105 83.744 0.501 -7.317 1.00 0.00 O ATOM 0 H GLY A 105 80.700 0.407 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.318 -0.785 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 105 81.903 -2.095 -7.095 1.00 0.00 H new ATOM 1506 N THR A 106 84.114 -1.284 -5.997 1.00 0.00 N ATOM 1507 CA THR A 106 85.511 -0.943 -5.754 1.00 0.00 C ATOM 1508 C THR A 106 86.303 -2.181 -5.350 1.00 0.00 C ATOM 1509 O THR A 106 85.807 -3.034 -4.614 1.00 0.00 O ATOM 1510 CB THR A 106 85.602 0.118 -4.654 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.053 1.337 -5.133 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.062 0.345 -4.247 1.00 0.00 C ATOM 0 H THR A 106 83.797 -2.133 -5.529 1.00 0.00 H new ATOM 0 HA THR A 106 85.938 -0.545 -6.675 1.00 0.00 H new ATOM 0 HB THR A 106 85.044 -0.227 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 106 84.836 1.247 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.108 1.102 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.485 -0.588 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.633 0.682 -5.112 1.00 0.00 H new ATOM 1520 N LYS A 107 87.541 -2.267 -5.829 1.00 0.00 N ATOM 1521 CA LYS A 107 88.430 -3.371 -5.481 1.00 0.00 C ATOM 1522 C LYS A 107 89.388 -2.940 -4.376 1.00 0.00 C ATOM 1523 O LYS A 107 90.242 -2.081 -4.596 1.00 0.00 O ATOM 1524 CB LYS A 107 89.226 -3.789 -6.721 1.00 0.00 C ATOM 1525 CG LYS A 107 90.228 -4.892 -6.371 1.00 0.00 C ATOM 1526 CD LYS A 107 90.971 -5.323 -7.637 1.00 0.00 C ATOM 1527 CE LYS A 107 91.960 -6.437 -7.292 1.00 0.00 C ATOM 1528 NZ LYS A 107 91.217 -7.708 -7.065 1.00 0.00 N ATOM 0 H LYS A 107 87.953 -1.582 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 107 87.837 -4.214 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.545 -4.141 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 107 89.754 -2.927 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 107 90.936 -4.532 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.709 -5.744 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.261 -5.671 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.500 -4.473 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.679 -6.563 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 107 92.528 -6.171 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 91.887 -8.504 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 90.716 -7.659 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 90.529 -7.850 -7.832 1.00 0.00 H new ATOM 1542 N LEU A 108 89.306 -3.597 -3.221 1.00 0.00 N ATOM 1543 CA LEU A 108 90.232 -3.328 -2.128 1.00 0.00 C ATOM 1544 C LEU A 108 91.245 -4.459 -2.001 1.00 0.00 C ATOM 1545 O LEU A 108 90.869 -5.627 -1.897 1.00 0.00 O ATOM 1546 CB LEU A 108 89.452 -3.203 -0.816 1.00 0.00 C ATOM 1547 CG LEU A 108 90.400 -2.931 0.358 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.293 -1.728 0.049 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.592 -2.649 1.629 1.00 0.00 C ATOM 0 H LEU A 108 88.611 -4.316 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 108 90.760 -2.398 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.724 -2.396 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.892 -4.120 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 108 91.024 -3.812 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.961 -1.545 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.882 -1.932 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 108 90.672 -0.848 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.273 -2.457 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.958 -1.777 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.970 -3.513 1.864 1.00 0.00 H new ATOM 1561 N THR A 109 92.516 -4.095 -1.870 1.00 0.00 N ATOM 1562 CA THR A 109 93.575 -5.082 -1.683 1.00 0.00 C ATOM 1563 C THR A 109 94.378 -4.751 -0.430 1.00 0.00 C ATOM 1564 O THR A 109 94.896 -3.643 -0.287 1.00 0.00 O ATOM 1565 CB THR A 109 94.492 -5.088 -2.908 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.738 -5.445 -4.058 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.631 -6.092 -2.715 1.00 0.00 C ATOM 0 H THR A 109 92.838 -3.127 -1.890 1.00 0.00 H new ATOM 0 HA THR A 109 93.130 -6.070 -1.564 1.00 0.00 H new ATOM 0 HB THR A 109 94.917 -4.093 -3.037 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.323 -5.448 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.275 -6.085 -3.594 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.214 -5.816 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.216 -7.091 -2.577 1.00 0.00 H new ATOM 1575 N VAL A 110 94.580 -5.758 0.415 1.00 0.00 N ATOM 1576 CA VAL A 110 95.360 -5.592 1.637 1.00 0.00 C ATOM 1577 C VAL A 110 96.652 -6.396 1.551 1.00 0.00 C ATOM 1578 O VAL A 110 96.630 -7.620 1.428 1.00 0.00 O ATOM 1579 CB VAL A 110 94.550 -6.079 2.841 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.337 -5.774 4.120 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.173 -5.398 2.883 1.00 0.00 C ATOM 0 H VAL A 110 94.213 -6.699 0.275 1.00 0.00 H new ATOM 0 HA VAL A 110 95.598 -4.535 1.755 1.00 0.00 H new ATOM 0 HB VAL A 110 94.386 -7.153 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.771 -6.116 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.297 -6.289 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.504 -4.700 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.615 -5.759 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.303 -4.319 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.623 -5.633 1.972 1.00 0.00 H new ATOM 1591 N LEU A 111 97.779 -5.691 1.587 1.00 0.00 N ATOM 1592 CA LEU A 111 99.093 -6.321 1.477 1.00 0.00 C ATOM 1593 C LEU A 111 99.725 -6.417 2.863 1.00 0.00 C ATOM 1594 O LEU A 111 99.981 -5.378 3.449 1.00 0.00 O ATOM 1595 CB LEU A 111 100.003 -5.547 0.508 1.00 0.00 C ATOM 1596 CG LEU A 111 99.256 -4.365 -0.123 1.00 0.00 C ATOM 1597 CD1 LEU A 111 98.967 -3.289 0.935 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.059 -3.775 -1.291 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.919 -7.527 3.329 1.00 0.00 O ATOM 0 H LEU A 111 97.809 -4.677 1.692 1.00 0.00 H new ATOM 0 HA LEU A 111 98.970 -7.325 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.882 -5.184 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.359 -6.216 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 111 98.306 -4.728 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.437 -2.457 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.353 -3.715 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 111 99.907 -2.931 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.511 -2.938 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.026 -3.426 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.211 -4.541 -2.051 1.00 0.00 H new TER 1611 LEU A 111