USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.3!) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 SER OG : rot 170:sc= -0.518 USER MOD Set 2.2: A 32 ASN : amide:sc= -2.52 K(o=-3,f=-4.1!) USER MOD Set 3.1: A 28 SER OG : rot -31:sc= 0.0684 USER MOD Set 3.2: A 72 ASN : amide:sc= 0.285! C(o=0.35!,f=-3.3!) USER MOD Set 4.1: A 6 GLN : amide:sc= -8.48! C(o=-8!,f=-11!) USER MOD Set 4.2: A 106 THR OG1 : rot -64:sc= 0.506 USER MOD Single : A 1 ASN :FLIP amide:sc= -0.564 F(o=-4.2!,f=-0.56) USER MOD Single : A 1 ASN N :NH3+ -120:sc= 0.908! (180deg=-0.366) 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= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -25:sc= 0.293 USER MOD Single : A 11 SER OG : rot -3:sc= 0.738 USER MOD Single : A 13 SER OG : rot 180:sc= -0.475 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= 0.016 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 -76:sc= 0.874 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -10.9! C(o=-11!,f=-23!) USER MOD Single : A 39 GLN : amide:sc= -0.876 K(o=-0.88,f=-2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.491 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 163:sc= 0.184 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.38 F(o=-3.3,f=-1.4) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 81:sc= -0.119 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -44:sc= 0.0913 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0669 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+ 158:sc=-0.00906 (180deg=-0.628) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -78:sc= 0.652 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.823 K(o=0.82,f=-0.8) USER MOD Single : A 93 SER OG : rot 149:sc= -0.448 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 25:sc= 0.218! USER MOD Single : A 97 SER OG : rot 180:sc= 0.0651 USER MOD Single : A 98 ASN : amide:sc= -0.848 K(o=-0.85,f=-4.8!) USER MOD Single : A 99 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-7.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.223 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 68.252 8.474 -15.058 1.00 0.00 N ATOM 2 CA ASN A 1 69.463 9.340 -15.002 1.00 0.00 C ATOM 3 C ASN A 1 70.086 9.246 -13.613 1.00 0.00 C ATOM 4 O ASN A 1 70.002 10.183 -12.820 1.00 0.00 O ATOM 5 CB ASN A 1 69.069 10.787 -15.309 1.00 0.00 C ATOM 6 CG ASN A 1 68.062 10.820 -16.453 1.00 0.00 C ATOM 7 OD1 ASN A 1 66.905 10.236 -16.305 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 68.347 11.365 -17.519 1.00 0.00 N flip ATOM 0 H1 ASN A 1 68.375 7.752 -15.796 1.00 0.00 H new ATOM 0 H2 ASN A 1 68.115 8.009 -14.138 1.00 0.00 H new ATOM 0 H3 ASN A 1 67.419 9.056 -15.279 1.00 0.00 H new ATOM 0 HA ASN A 1 70.191 9.007 -15.742 1.00 0.00 H new ATOM 0 HB2 ASN A 1 68.640 11.252 -14.422 1.00 0.00 H new ATOM 0 HB3 ASN A 1 69.954 11.365 -15.575 1.00 0.00 H new ATOM 0 HD21 ASN A 1 69.252 11.821 -17.633 1.00 0.00 H new ATOM 0 HD22 ASN A 1 67.678 11.361 -18.289 1.00 0.00 H new ATOM 17 N PHE A 2 70.676 8.095 -13.310 1.00 0.00 N ATOM 18 CA PHE A 2 71.306 7.886 -12.011 1.00 0.00 C ATOM 19 C PHE A 2 72.385 6.815 -12.120 1.00 0.00 C ATOM 20 O PHE A 2 72.089 5.664 -12.439 1.00 0.00 O ATOM 21 CB PHE A 2 70.252 7.445 -10.992 1.00 0.00 C ATOM 22 CG PHE A 2 70.804 7.585 -9.593 1.00 0.00 C ATOM 23 CD1 PHE A 2 71.753 6.670 -9.122 1.00 0.00 C ATOM 24 CD2 PHE A 2 70.364 8.625 -8.765 1.00 0.00 C ATOM 25 CE1 PHE A 2 72.271 6.802 -7.828 1.00 0.00 C ATOM 26 CE2 PHE A 2 70.871 8.747 -7.466 1.00 0.00 C ATOM 27 CZ PHE A 2 71.824 7.836 -6.997 1.00 0.00 C ATOM 0 H PHE A 2 70.731 7.296 -13.942 1.00 0.00 H new ATOM 0 HA PHE A 2 71.761 8.821 -11.684 1.00 0.00 H new ATOM 0 HB2 PHE A 2 69.352 8.051 -11.100 1.00 0.00 H new ATOM 0 HB3 PHE A 2 69.964 6.410 -11.177 1.00 0.00 H new ATOM 0 HD1 PHE A 2 72.086 5.862 -9.757 1.00 0.00 H new ATOM 0 HD2 PHE A 2 69.634 9.333 -9.129 1.00 0.00 H new ATOM 0 HE1 PHE A 2 73.016 6.106 -7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 2 70.526 9.545 -6.825 1.00 0.00 H new ATOM 0 HZ PHE A 2 72.214 7.931 -5.994 1.00 0.00 H new ATOM 37 N MET A 3 73.616 7.169 -11.762 1.00 0.00 N ATOM 38 CA MET A 3 74.718 6.214 -11.765 1.00 0.00 C ATOM 39 C MET A 3 75.653 6.508 -10.595 1.00 0.00 C ATOM 40 O MET A 3 75.622 7.604 -10.037 1.00 0.00 O ATOM 41 CB MET A 3 75.492 6.318 -13.083 1.00 0.00 C ATOM 42 CG MET A 3 74.774 5.515 -14.169 1.00 0.00 C ATOM 43 SD MET A 3 75.057 3.749 -13.889 1.00 0.00 S ATOM 44 CE MET A 3 74.274 3.145 -15.405 1.00 0.00 C ATOM 0 H MET A 3 73.875 8.110 -11.466 1.00 0.00 H new ATOM 0 HA MET A 3 74.319 5.205 -11.664 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.576 7.362 -13.385 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.507 5.942 -12.950 1.00 0.00 H new ATOM 0 HG2 MET A 3 73.706 5.732 -14.152 1.00 0.00 H new ATOM 0 HG3 MET A 3 75.142 5.803 -15.154 1.00 0.00 H new ATOM 0 HE1 MET A 3 74.336 2.057 -15.438 1.00 0.00 H new ATOM 0 HE2 MET A 3 73.227 3.449 -15.420 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.786 3.564 -16.271 1.00 0.00 H new ATOM 54 N LEU A 4 76.532 5.562 -10.271 1.00 0.00 N ATOM 55 CA LEU A 4 77.496 5.737 -9.192 1.00 0.00 C ATOM 56 C LEU A 4 78.918 5.584 -9.719 1.00 0.00 C ATOM 57 O LEU A 4 79.251 4.597 -10.377 1.00 0.00 O ATOM 58 CB LEU A 4 77.240 4.682 -8.112 1.00 0.00 C ATOM 59 CG LEU A 4 75.891 4.932 -7.425 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.330 3.627 -6.848 1.00 0.00 C ATOM 61 CD2 LEU A 4 76.064 5.956 -6.300 1.00 0.00 C ATOM 0 H LEU A 4 76.595 4.661 -10.745 1.00 0.00 H new ATOM 0 HA LEU A 4 77.381 6.737 -8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.249 3.687 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.041 4.707 -7.373 1.00 0.00 H new ATOM 0 HG LEU A 4 75.191 5.318 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.373 3.825 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.188 2.905 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.029 3.222 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 4 75.103 6.130 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.776 5.575 -5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.436 6.893 -6.715 1.00 0.00 H new ATOM 73 N THR A 5 79.758 6.561 -9.397 1.00 0.00 N ATOM 74 CA THR A 5 81.159 6.536 -9.807 1.00 0.00 C ATOM 75 C THR A 5 82.067 6.343 -8.597 1.00 0.00 C ATOM 76 O THR A 5 81.995 7.097 -7.626 1.00 0.00 O ATOM 77 CB THR A 5 81.517 7.846 -10.512 1.00 0.00 C ATOM 78 OG1 THR A 5 82.847 7.766 -11.002 1.00 0.00 O ATOM 79 CG2 THR A 5 81.405 9.013 -9.529 1.00 0.00 C ATOM 0 H THR A 5 79.494 7.382 -8.852 1.00 0.00 H new ATOM 0 HA THR A 5 81.305 5.701 -10.493 1.00 0.00 H new ATOM 0 HB THR A 5 80.828 8.010 -11.341 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.079 8.603 -11.456 1.00 0.00 H new ATOM 0 HG21 THR A 5 81.661 9.943 -10.037 1.00 0.00 H new ATOM 0 HG22 THR A 5 80.384 9.075 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 5 82.090 8.854 -8.696 1.00 0.00 H new ATOM 87 N GLN A 6 82.925 5.328 -8.661 1.00 0.00 N ATOM 88 CA GLN A 6 83.796 4.981 -7.540 1.00 0.00 C ATOM 89 C GLN A 6 85.179 4.615 -8.073 1.00 0.00 C ATOM 90 O GLN A 6 85.286 4.079 -9.177 1.00 0.00 O ATOM 91 CB GLN A 6 83.201 3.818 -6.734 1.00 0.00 C ATOM 92 CG GLN A 6 81.711 3.665 -7.052 1.00 0.00 C ATOM 93 CD GLN A 6 81.121 2.503 -6.264 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.913 2.488 -6.033 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.917 1.703 -5.609 1.00 0.00 N ATOM 0 H GLN A 6 83.036 4.730 -9.479 1.00 0.00 H new ATOM 0 HA GLN A 6 83.884 5.839 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.728 2.894 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.337 3.998 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.183 4.586 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.575 3.496 -8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.919 1.713 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.537 1.067 -4.908 1.00 0.00 H new ATOM 104 N PRO A 7 86.195 4.683 -7.255 1.00 0.00 N ATOM 105 CA PRO A 7 87.577 4.358 -7.703 1.00 0.00 C ATOM 106 C PRO A 7 87.647 2.948 -8.283 1.00 0.00 C ATOM 107 O PRO A 7 86.882 2.068 -7.886 1.00 0.00 O ATOM 108 CB PRO A 7 88.443 4.499 -6.443 1.00 0.00 C ATOM 109 CG PRO A 7 87.558 5.001 -5.343 1.00 0.00 C ATOM 110 CD PRO A 7 86.206 5.374 -5.956 1.00 0.00 C ATOM 0 HA PRO A 7 87.919 5.018 -8.500 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.885 3.540 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.266 5.191 -6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.431 4.236 -4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.008 5.867 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.379 5.048 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.108 6.453 -6.078 1.00 0.00 H new ATOM 118 N HIS A 8 88.526 2.754 -9.260 1.00 0.00 N ATOM 119 CA HIS A 8 88.651 1.452 -9.907 1.00 0.00 C ATOM 120 C HIS A 8 89.211 0.423 -8.928 1.00 0.00 C ATOM 121 O HIS A 8 88.796 -0.736 -8.939 1.00 0.00 O ATOM 122 CB HIS A 8 89.554 1.576 -11.140 1.00 0.00 C ATOM 123 CG HIS A 8 88.735 1.865 -12.370 1.00 0.00 C ATOM 124 ND1 HIS A 8 88.601 3.143 -12.887 1.00 0.00 N ATOM 125 CD2 HIS A 8 87.937 1.060 -13.148 1.00 0.00 C ATOM 126 CE1 HIS A 8 87.800 3.064 -13.963 1.00 0.00 C ATOM 127 NE2 HIS A 8 87.371 1.817 -14.171 1.00 0.00 N ATOM 0 H HIS A 8 89.156 3.472 -9.618 1.00 0.00 H new ATOM 0 HA HIS A 8 87.665 1.113 -10.225 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.282 2.373 -10.986 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.117 0.653 -11.280 1.00 0.00 H new ATOM 0 HD2 HIS A 8 87.774 0.004 -12.990 1.00 0.00 H new ATOM 0 HE1 HIS A 8 87.535 3.907 -14.584 1.00 0.00 H new ATOM 0 HE2 HIS A 8 86.760 1.489 -14.919 1.00 0.00 H new ATOM 135 N SER A 9 90.208 0.822 -8.145 1.00 0.00 N ATOM 136 CA SER A 9 90.828 -0.111 -7.212 1.00 0.00 C ATOM 137 C SER A 9 91.681 0.637 -6.193 1.00 0.00 C ATOM 138 O SER A 9 91.991 1.814 -6.373 1.00 0.00 O ATOM 139 CB SER A 9 91.704 -1.110 -7.970 1.00 0.00 C ATOM 140 OG SER A 9 90.929 -1.761 -8.965 1.00 0.00 O ATOM 0 H SER A 9 90.597 1.765 -8.136 1.00 0.00 H new ATOM 0 HA SER A 9 90.036 -0.646 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.547 -0.594 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.118 -1.844 -7.279 1.00 0.00 H new ATOM 0 HG SER A 9 89.984 -1.749 -8.704 1.00 0.00 H new ATOM 146 N VAL A 10 92.001 -0.034 -5.093 1.00 0.00 N ATOM 147 CA VAL A 10 92.790 0.593 -4.040 1.00 0.00 C ATOM 148 C VAL A 10 93.347 -0.474 -3.106 1.00 0.00 C ATOM 149 O VAL A 10 92.806 -1.575 -3.014 1.00 0.00 O ATOM 150 CB VAL A 10 91.922 1.577 -3.253 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.672 0.861 -2.735 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.722 2.133 -2.072 1.00 0.00 C ATOM 0 H VAL A 10 91.730 -1.000 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 10 93.619 1.137 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 10 91.622 2.397 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.056 1.564 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.102 0.470 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.967 0.039 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.104 2.834 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 10 93.024 1.314 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.608 2.648 -2.443 1.00 0.00 H new ATOM 162 N SER A 11 94.415 -0.131 -2.392 1.00 0.00 N ATOM 163 CA SER A 11 95.036 -1.062 -1.457 1.00 0.00 C ATOM 164 C SER A 11 95.480 -0.331 -0.196 1.00 0.00 C ATOM 165 O SER A 11 95.758 0.868 -0.228 1.00 0.00 O ATOM 166 CB SER A 11 96.240 -1.742 -2.114 1.00 0.00 C ATOM 167 OG SER A 11 96.524 -2.957 -1.435 1.00 0.00 O ATOM 0 H SER A 11 94.867 0.782 -2.443 1.00 0.00 H new ATOM 0 HA SER A 11 94.302 -1.820 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.031 -1.940 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 11 97.107 -1.082 -2.080 1.00 0.00 H new ATOM 0 HG SER A 11 95.920 -3.053 -0.669 1.00 0.00 H new ATOM 173 N GLU A 12 95.611 -1.073 0.899 1.00 0.00 N ATOM 174 CA GLU A 12 96.016 -0.479 2.167 1.00 0.00 C ATOM 175 C GLU A 12 96.689 -1.519 3.056 1.00 0.00 C ATOM 176 O GLU A 12 96.316 -2.692 3.049 1.00 0.00 O ATOM 177 CB GLU A 12 94.787 0.091 2.880 1.00 0.00 C ATOM 178 CG GLU A 12 95.225 1.131 3.914 1.00 0.00 C ATOM 179 CD GLU A 12 95.691 2.393 3.197 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.510 2.466 1.993 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.197 3.280 3.864 1.00 0.00 O ATOM 0 H GLU A 12 95.444 -2.079 0.934 1.00 0.00 H new ATOM 0 HA GLU A 12 96.729 0.321 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.113 0.547 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.234 -0.711 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.398 1.365 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 12 96.031 0.731 4.530 1.00 0.00 H new ATOM 188 N SER A 13 97.719 -1.093 3.780 1.00 0.00 N ATOM 189 CA SER A 13 98.470 -2.003 4.638 1.00 0.00 C ATOM 190 C SER A 13 97.814 -2.082 6.016 1.00 0.00 C ATOM 191 O SER A 13 97.357 -1.061 6.530 1.00 0.00 O ATOM 192 CB SER A 13 99.915 -1.513 4.760 1.00 0.00 C ATOM 193 OG SER A 13 100.778 -2.628 4.926 1.00 0.00 O ATOM 0 H SER A 13 98.052 -0.129 3.790 1.00 0.00 H new ATOM 0 HA SER A 13 98.470 -3.000 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.196 -0.951 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.011 -0.835 5.608 1.00 0.00 H new ATOM 0 HG SER A 13 101.704 -2.316 5.003 1.00 0.00 H new ATOM 199 N PRO A 14 97.940 -3.180 6.715 1.00 0.00 N ATOM 200 CA PRO A 14 97.299 -3.332 8.051 1.00 0.00 C ATOM 201 C PRO A 14 97.772 -2.249 9.018 1.00 0.00 C ATOM 202 O PRO A 14 98.867 -1.708 8.867 1.00 0.00 O ATOM 203 CB PRO A 14 97.695 -4.735 8.533 1.00 0.00 C ATOM 204 CG PRO A 14 98.530 -5.358 7.457 1.00 0.00 C ATOM 205 CD PRO A 14 98.448 -4.468 6.215 1.00 0.00 C ATOM 0 HA PRO A 14 96.216 -3.221 7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.254 -4.677 9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.808 -5.338 8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.564 -5.456 7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.171 -6.362 7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.424 -4.353 5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.781 -4.894 5.466 1.00 0.00 H new ATOM 213 N GLY A 15 96.928 -1.921 9.991 1.00 0.00 N ATOM 214 CA GLY A 15 97.267 -0.930 11.007 1.00 0.00 C ATOM 215 C GLY A 15 96.644 0.422 10.673 1.00 0.00 C ATOM 216 O GLY A 15 96.302 1.194 11.568 1.00 0.00 O ATOM 0 H GLY A 15 95.999 -2.329 10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.915 -1.267 11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 15 98.350 -0.829 11.076 1.00 0.00 H new ATOM 220 N LYS A 16 96.482 0.691 9.382 1.00 0.00 N ATOM 221 CA LYS A 16 95.904 1.952 8.926 1.00 0.00 C ATOM 222 C LYS A 16 94.386 1.829 8.832 1.00 0.00 C ATOM 223 O LYS A 16 93.793 0.928 9.426 1.00 0.00 O ATOM 224 CB LYS A 16 96.473 2.347 7.559 1.00 0.00 C ATOM 225 CG LYS A 16 97.978 2.071 7.472 1.00 0.00 C ATOM 226 CD LYS A 16 98.768 3.132 8.245 1.00 0.00 C ATOM 227 CE LYS A 16 100.217 2.676 8.449 1.00 0.00 C ATOM 228 NZ LYS A 16 100.341 2.008 9.776 1.00 0.00 N ATOM 0 H LYS A 16 96.743 0.052 8.631 1.00 0.00 H new ATOM 0 HA LYS A 16 96.161 2.726 9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.955 1.794 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.286 3.406 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 16 98.196 1.082 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.292 2.065 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 16 98.750 4.076 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.297 3.313 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.510 1.989 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.891 3.531 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.323 1.697 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.078 2.677 10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 99.709 1.183 9.810 1.00 0.00 H new ATOM 242 N THR A 17 93.769 2.704 8.043 1.00 0.00 N ATOM 243 CA THR A 17 92.325 2.669 7.825 1.00 0.00 C ATOM 244 C THR A 17 92.001 2.764 6.338 1.00 0.00 C ATOM 245 O THR A 17 92.844 3.158 5.533 1.00 0.00 O ATOM 246 CB THR A 17 91.655 3.835 8.555 1.00 0.00 C ATOM 247 OG1 THR A 17 92.254 5.056 8.147 1.00 0.00 O ATOM 248 CG2 THR A 17 91.830 3.667 10.067 1.00 0.00 C ATOM 0 H THR A 17 94.250 3.451 7.541 1.00 0.00 H new ATOM 0 HA THR A 17 91.948 1.723 8.214 1.00 0.00 H new ATOM 0 HB THR A 17 90.593 3.848 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.824 5.803 8.613 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.352 4.499 10.583 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.371 2.731 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.892 3.651 10.311 1.00 0.00 H new ATOM 256 N VAL A 18 90.773 2.397 5.980 1.00 0.00 N ATOM 257 CA VAL A 18 90.308 2.485 4.601 1.00 0.00 C ATOM 258 C VAL A 18 89.111 3.422 4.508 1.00 0.00 C ATOM 259 O VAL A 18 88.175 3.346 5.303 1.00 0.00 O ATOM 260 CB VAL A 18 89.964 1.082 4.091 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.114 1.163 2.820 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.254 0.304 3.799 1.00 0.00 C ATOM 0 H VAL A 18 90.078 2.033 6.632 1.00 0.00 H new ATOM 0 HA VAL A 18 91.097 2.897 3.971 1.00 0.00 H new ATOM 0 HB VAL A 18 89.392 0.565 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.880 0.156 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.188 1.697 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.667 1.694 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.003 -0.693 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.833 0.831 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.843 0.221 4.712 1.00 0.00 H new ATOM 272 N THR A 19 89.129 4.264 3.480 1.00 0.00 N ATOM 273 CA THR A 19 88.021 5.163 3.195 1.00 0.00 C ATOM 274 C THR A 19 87.590 4.989 1.743 1.00 0.00 C ATOM 275 O THR A 19 88.327 5.341 0.821 1.00 0.00 O ATOM 276 CB THR A 19 88.486 6.596 3.458 1.00 0.00 C ATOM 277 OG1 THR A 19 88.686 6.771 4.853 1.00 0.00 O ATOM 278 CG2 THR A 19 87.429 7.582 2.961 1.00 0.00 C ATOM 0 H THR A 19 89.908 4.341 2.826 1.00 0.00 H new ATOM 0 HA THR A 19 87.166 4.939 3.833 1.00 0.00 H new ATOM 0 HB THR A 19 89.420 6.780 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.986 7.687 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.765 8.602 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.277 7.443 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.491 7.405 3.487 1.00 0.00 H new ATOM 286 N ILE A 20 86.362 4.520 1.545 1.00 0.00 N ATOM 287 CA ILE A 20 85.821 4.344 0.202 1.00 0.00 C ATOM 288 C ILE A 20 84.890 5.503 -0.129 1.00 0.00 C ATOM 289 O ILE A 20 83.982 5.803 0.644 1.00 0.00 O ATOM 290 CB ILE A 20 85.025 3.039 0.126 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.919 1.871 0.545 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.536 2.826 -1.308 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.076 0.601 0.684 1.00 0.00 C ATOM 0 H ILE A 20 85.724 4.256 2.296 1.00 0.00 H new ATOM 0 HA ILE A 20 86.647 4.313 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 20 84.167 3.094 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.705 1.718 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.411 2.098 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.969 1.897 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.898 3.659 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.392 2.770 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.716 -0.229 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.306 0.756 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.605 0.371 -0.272 1.00 0.00 H new ATOM 305 N SER A 21 85.097 6.133 -1.280 1.00 0.00 N ATOM 306 CA SER A 21 84.258 7.248 -1.710 1.00 0.00 C ATOM 307 C SER A 21 83.331 6.779 -2.831 1.00 0.00 C ATOM 308 O SER A 21 83.782 6.593 -3.961 1.00 0.00 O ATOM 309 CB SER A 21 85.166 8.400 -2.165 1.00 0.00 C ATOM 310 OG SER A 21 86.524 7.993 -2.063 1.00 0.00 O ATOM 0 H SER A 21 85.841 5.890 -1.935 1.00 0.00 H new ATOM 0 HA SER A 21 83.634 7.605 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.933 8.678 -3.193 1.00 0.00 H new ATOM 0 HB3 SER A 21 84.991 9.282 -1.549 1.00 0.00 H new ATOM 0 HG SER A 21 87.108 8.725 -2.354 1.00 0.00 H new ATOM 316 N CYS A 22 82.022 6.795 -2.577 1.00 0.00 N ATOM 317 CA CYS A 22 81.030 6.449 -3.596 1.00 0.00 C ATOM 318 C CYS A 22 80.247 7.734 -3.887 1.00 0.00 C ATOM 319 O CYS A 22 79.595 8.282 -2.999 1.00 0.00 O ATOM 320 CB CYS A 22 80.116 5.319 -3.069 1.00 0.00 C ATOM 321 SG CYS A 22 80.568 3.684 -3.730 1.00 0.00 S ATOM 0 H CYS A 22 81.623 7.045 -1.672 1.00 0.00 H new ATOM 0 HA CYS A 22 81.489 6.077 -4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.168 5.293 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.082 5.540 -3.334 1.00 0.00 H new ATOM 326 N THR A 23 80.337 8.244 -5.118 1.00 0.00 N ATOM 327 CA THR A 23 79.638 9.467 -5.514 1.00 0.00 C ATOM 328 C THR A 23 78.562 9.163 -6.552 1.00 0.00 C ATOM 329 O THR A 23 78.766 8.339 -7.443 1.00 0.00 O ATOM 330 CB THR A 23 80.610 10.509 -6.077 1.00 0.00 C ATOM 331 OG1 THR A 23 81.755 10.598 -5.241 1.00 0.00 O ATOM 332 CG2 THR A 23 79.933 11.882 -6.145 1.00 0.00 C ATOM 0 H THR A 23 80.893 7.824 -5.863 1.00 0.00 H new ATOM 0 HA THR A 23 79.169 9.876 -4.619 1.00 0.00 H new ATOM 0 HB THR A 23 80.907 10.203 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.375 11.264 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.634 12.614 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.058 11.824 -6.792 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.625 12.186 -5.145 1.00 0.00 H new ATOM 340 N GLY A 24 77.435 9.864 -6.461 1.00 0.00 N ATOM 341 CA GLY A 24 76.326 9.655 -7.386 1.00 0.00 C ATOM 342 C GLY A 24 76.261 10.762 -8.432 1.00 0.00 C ATOM 343 O GLY A 24 76.909 11.800 -8.300 1.00 0.00 O ATOM 0 H GLY A 24 77.266 10.582 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.439 8.690 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.388 9.621 -6.831 1.00 0.00 H new ATOM 347 N SER A 25 75.556 10.481 -9.525 1.00 0.00 N ATOM 348 CA SER A 25 75.447 11.414 -10.642 1.00 0.00 C ATOM 349 C SER A 25 73.987 11.621 -11.030 1.00 0.00 C ATOM 350 O SER A 25 73.170 10.707 -10.917 1.00 0.00 O ATOM 351 CB SER A 25 76.218 10.874 -11.848 1.00 0.00 C ATOM 352 OG SER A 25 75.938 11.678 -12.985 1.00 0.00 O ATOM 0 H SER A 25 75.048 9.607 -9.661 1.00 0.00 H new ATOM 0 HA SER A 25 75.870 12.370 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 25 77.288 10.878 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.934 9.840 -12.042 1.00 0.00 H new ATOM 0 HG SER A 25 76.432 11.335 -13.758 1.00 0.00 H new ATOM 358 N SER A 26 73.656 12.838 -11.450 1.00 0.00 N ATOM 359 CA SER A 26 72.294 13.148 -11.866 1.00 0.00 C ATOM 360 C SER A 26 71.305 12.821 -10.752 1.00 0.00 C ATOM 361 O SER A 26 70.094 12.792 -10.974 1.00 0.00 O ATOM 362 CB SER A 26 71.934 12.347 -13.119 1.00 0.00 C ATOM 363 OG SER A 26 70.553 12.512 -13.408 1.00 0.00 O ATOM 0 H SER A 26 74.308 13.620 -11.511 1.00 0.00 H new ATOM 0 HA SER A 26 72.237 14.214 -12.087 1.00 0.00 H new ATOM 0 HB2 SER A 26 72.536 12.683 -13.963 1.00 0.00 H new ATOM 0 HB3 SER A 26 72.161 11.292 -12.966 1.00 0.00 H new ATOM 0 HG SER A 26 70.022 11.976 -12.783 1.00 0.00 H new ATOM 369 N GLY A 27 71.823 12.620 -9.544 1.00 0.00 N ATOM 370 CA GLY A 27 70.978 12.272 -8.408 1.00 0.00 C ATOM 371 C GLY A 27 71.676 12.580 -7.088 1.00 0.00 C ATOM 372 O GLY A 27 72.874 12.862 -7.058 1.00 0.00 O ATOM 0 H GLY A 27 72.817 12.692 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 27 70.041 12.826 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 27 70.725 11.213 -8.450 1.00 0.00 H new ATOM 376 N SER A 28 70.915 12.528 -5.998 1.00 0.00 N ATOM 377 CA SER A 28 71.449 12.801 -4.667 1.00 0.00 C ATOM 378 C SER A 28 71.671 11.497 -3.906 1.00 0.00 C ATOM 379 O SER A 28 70.910 10.540 -4.051 1.00 0.00 O ATOM 380 CB SER A 28 70.483 13.701 -3.894 1.00 0.00 C ATOM 381 OG SER A 28 70.658 15.048 -4.309 1.00 0.00 O ATOM 0 H SER A 28 69.921 12.298 -6.011 1.00 0.00 H new ATOM 0 HA SER A 28 72.407 13.311 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 28 69.455 13.385 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.664 13.612 -2.823 1.00 0.00 H new ATOM 0 HG SER A 28 71.590 15.189 -4.576 1.00 0.00 H new ATOM 387 N ILE A 29 72.733 11.461 -3.108 1.00 0.00 N ATOM 388 CA ILE A 29 73.064 10.269 -2.333 1.00 0.00 C ATOM 389 C ILE A 29 72.375 10.314 -0.973 1.00 0.00 C ATOM 390 O ILE A 29 72.425 9.347 -0.213 1.00 0.00 O ATOM 391 CB ILE A 29 74.581 10.146 -2.155 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.223 11.510 -1.878 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.199 9.551 -3.424 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.816 12.074 -0.513 1.00 0.00 C ATOM 0 H ILE A 29 73.378 12.241 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 29 72.708 9.394 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 29 74.769 9.495 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.308 11.415 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.933 12.212 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.278 9.464 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.774 8.564 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.985 10.201 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.295 13.041 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.733 12.196 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 29 75.129 11.387 0.273 1.00 0.00 H new ATOM 406 N ALA A 30 71.775 11.455 -0.648 1.00 0.00 N ATOM 407 CA ALA A 30 71.096 11.622 0.633 1.00 0.00 C ATOM 408 C ALA A 30 69.585 11.527 0.456 1.00 0.00 C ATOM 409 O ALA A 30 68.859 11.201 1.396 1.00 0.00 O ATOM 410 CB ALA A 30 71.446 12.989 1.225 1.00 0.00 C ATOM 0 H ALA A 30 71.745 12.276 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 30 71.425 10.829 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.938 13.112 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.524 13.055 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 30 71.126 13.775 0.541 1.00 0.00 H new ATOM 416 N SER A 31 69.122 11.769 -0.765 1.00 0.00 N ATOM 417 CA SER A 31 67.699 11.662 -1.065 1.00 0.00 C ATOM 418 C SER A 31 67.262 10.202 -1.115 1.00 0.00 C ATOM 419 O SER A 31 66.072 9.904 -1.221 1.00 0.00 O ATOM 420 CB SER A 31 67.386 12.335 -2.402 1.00 0.00 C ATOM 421 OG SER A 31 68.048 11.636 -3.446 1.00 0.00 O ATOM 0 H SER A 31 69.705 12.038 -1.557 1.00 0.00 H new ATOM 0 HA SER A 31 67.149 12.166 -0.270 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.310 12.339 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.710 13.376 -2.383 1.00 0.00 H new ATOM 0 HG SER A 31 67.725 11.960 -4.313 1.00 0.00 H new ATOM 427 N ASN A 32 68.230 9.294 -1.033 1.00 0.00 N ATOM 428 CA ASN A 32 67.944 7.863 -1.086 1.00 0.00 C ATOM 429 C ASN A 32 68.804 7.126 -0.065 1.00 0.00 C ATOM 430 O ASN A 32 69.846 7.624 0.362 1.00 0.00 O ATOM 431 CB ASN A 32 68.211 7.323 -2.496 1.00 0.00 C ATOM 432 CG ASN A 32 68.010 8.426 -3.531 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.983 9.015 -4.002 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.806 8.727 -3.933 1.00 0.00 N ATOM 0 H ASN A 32 69.219 9.523 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 32 66.893 7.700 -0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 32 69.228 6.937 -2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.540 6.490 -2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.670 9.451 -4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 32 66.001 8.238 -3.542 1.00 0.00 H new ATOM 441 N TYR A 33 68.395 5.908 0.275 1.00 0.00 N ATOM 442 CA TYR A 33 69.137 5.101 1.234 1.00 0.00 C ATOM 443 C TYR A 33 70.189 4.279 0.499 1.00 0.00 C ATOM 444 O TYR A 33 69.899 3.673 -0.532 1.00 0.00 O ATOM 445 CB TYR A 33 68.185 4.173 1.993 1.00 0.00 C ATOM 446 CG TYR A 33 66.871 4.881 2.216 1.00 0.00 C ATOM 447 CD1 TYR A 33 65.859 4.782 1.254 1.00 0.00 C ATOM 448 CD2 TYR A 33 66.677 5.661 3.363 1.00 0.00 C ATOM 449 CE1 TYR A 33 64.635 5.430 1.457 1.00 0.00 C ATOM 450 CE2 TYR A 33 65.461 6.329 3.555 1.00 0.00 C ATOM 451 CZ TYR A 33 64.436 6.201 2.609 1.00 0.00 C ATOM 452 OH TYR A 33 63.236 6.855 2.799 1.00 0.00 O ATOM 0 H TYR A 33 67.558 5.461 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 33 69.628 5.759 1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.025 3.255 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.623 3.886 2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 33 66.023 4.206 0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 33 67.464 5.747 4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 33 63.845 5.336 0.726 1.00 0.00 H new ATOM 0 HE2 TYR A 33 65.314 6.942 4.432 1.00 0.00 H new ATOM 0 HH TYR A 33 63.261 7.344 3.648 1.00 0.00 H new ATOM 462 N VAL A 34 71.408 4.270 1.030 1.00 0.00 N ATOM 463 CA VAL A 34 72.510 3.536 0.416 1.00 0.00 C ATOM 464 C VAL A 34 72.921 2.371 1.311 1.00 0.00 C ATOM 465 O VAL A 34 73.078 2.529 2.522 1.00 0.00 O ATOM 466 CB VAL A 34 73.691 4.480 0.166 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.957 3.679 -0.153 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.365 5.400 -1.014 1.00 0.00 C ATOM 0 H VAL A 34 71.658 4.764 1.887 1.00 0.00 H new ATOM 0 HA VAL A 34 72.186 3.132 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 34 73.864 5.073 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.787 4.364 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.196 3.027 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.791 3.075 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.204 6.072 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 34 73.185 4.799 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.474 5.985 -0.784 1.00 0.00 H new ATOM 478 N GLN A 35 73.235 1.242 0.683 1.00 0.00 N ATOM 479 CA GLN A 35 73.668 0.051 1.406 1.00 0.00 C ATOM 480 C GLN A 35 75.018 -0.396 0.859 1.00 0.00 C ATOM 481 O GLN A 35 75.291 -0.252 -0.333 1.00 0.00 O ATOM 482 CB GLN A 35 72.653 -1.081 1.225 1.00 0.00 C ATOM 483 CG GLN A 35 71.228 -0.570 1.451 1.00 0.00 C ATOM 484 CD GLN A 35 70.225 -1.650 1.060 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.467 -2.414 0.126 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.105 -1.758 1.720 1.00 0.00 N ATOM 0 H GLN A 35 73.197 1.127 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 35 73.748 0.287 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.741 -1.498 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.871 -1.887 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.092 -0.296 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.056 0.330 0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.906 -1.124 2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.428 -2.476 1.462 1.00 0.00 H new ATOM 495 N TRP A 36 75.881 -0.897 1.738 1.00 0.00 N ATOM 496 CA TRP A 36 77.223 -1.307 1.336 1.00 0.00 C ATOM 497 C TRP A 36 77.293 -2.826 1.227 1.00 0.00 C ATOM 498 O TRP A 36 76.708 -3.536 2.043 1.00 0.00 O ATOM 499 CB TRP A 36 78.245 -0.824 2.367 1.00 0.00 C ATOM 500 CG TRP A 36 78.318 0.669 2.330 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.404 1.507 2.873 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.309 1.516 1.673 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.781 2.811 2.613 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.951 2.871 1.885 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.493 1.249 0.965 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.734 3.921 1.393 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.252 2.296 0.427 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.890 3.629 0.663 1.00 0.00 C ATOM 0 H TRP A 36 75.677 -1.029 2.729 1.00 0.00 H new ATOM 0 HA TRP A 36 77.450 -0.865 0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 36 77.960 -1.161 3.364 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.224 -1.253 2.154 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.523 1.206 3.420 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.257 3.630 2.922 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.820 0.228 0.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.448 4.946 1.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.122 2.075 -0.174 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.504 4.431 0.281 1.00 0.00 H new ATOM 519 N TYR A 37 78.032 -3.311 0.233 1.00 0.00 N ATOM 520 CA TYR A 37 78.167 -4.743 -0.017 1.00 0.00 C ATOM 521 C TYR A 37 79.634 -5.091 -0.247 1.00 0.00 C ATOM 522 O TYR A 37 80.425 -4.246 -0.667 1.00 0.00 O ATOM 523 CB TYR A 37 77.327 -5.148 -1.234 1.00 0.00 C ATOM 524 CG TYR A 37 75.908 -5.460 -0.817 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.019 -4.418 -0.527 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.505 -6.790 -0.648 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.724 -4.707 -0.080 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.210 -7.080 -0.200 1.00 0.00 C ATOM 529 CZ TYR A 37 73.303 -6.038 0.027 1.00 0.00 C ATOM 530 OH TYR A 37 72.012 -6.323 0.423 1.00 0.00 O ATOM 0 H TYR A 37 78.552 -2.725 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 37 77.806 -5.292 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.328 -4.342 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.771 -6.019 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.332 -3.391 -0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.194 -7.594 -0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.051 -3.904 0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.912 -8.104 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 37 71.883 -7.294 0.444 1.00 0.00 H new ATOM 540 N GLN A 38 79.996 -6.339 0.034 1.00 0.00 N ATOM 541 CA GLN A 38 81.369 -6.801 -0.147 1.00 0.00 C ATOM 542 C GLN A 38 81.345 -8.143 -0.873 1.00 0.00 C ATOM 543 O GLN A 38 80.542 -9.013 -0.536 1.00 0.00 O ATOM 544 CB GLN A 38 82.032 -6.936 1.233 1.00 0.00 C ATOM 545 CG GLN A 38 83.305 -6.092 1.340 1.00 0.00 C ATOM 546 CD GLN A 38 84.432 -6.745 0.547 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.196 -7.687 -0.211 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.662 -6.375 0.774 1.00 0.00 N ATOM 0 H GLN A 38 79.357 -7.050 0.389 1.00 0.00 H new ATOM 0 HA GLN A 38 81.942 -6.091 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.327 -6.629 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.274 -7.983 1.419 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.118 -5.087 0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.597 -5.990 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.852 -5.594 1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.434 -6.866 0.323 1.00 0.00 H new ATOM 557 N GLN A 39 82.304 -8.354 -1.774 1.00 0.00 N ATOM 558 CA GLN A 39 82.372 -9.602 -2.532 1.00 0.00 C ATOM 559 C GLN A 39 83.715 -10.287 -2.297 1.00 0.00 C ATOM 560 O GLN A 39 84.728 -9.912 -2.887 1.00 0.00 O ATOM 561 CB GLN A 39 82.173 -9.315 -4.027 1.00 0.00 C ATOM 562 CG GLN A 39 80.869 -9.927 -4.548 1.00 0.00 C ATOM 563 CD GLN A 39 80.845 -9.876 -6.071 1.00 0.00 C ATOM 564 OE1 GLN A 39 81.899 -9.820 -6.706 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.707 -9.979 -6.700 1.00 0.00 N ATOM 0 H GLN A 39 83.039 -7.682 -1.996 1.00 0.00 H new ATOM 0 HA GLN A 39 81.579 -10.269 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.162 -8.238 -4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.015 -9.716 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 39 80.780 -10.959 -4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.015 -9.384 -4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 39 78.835 -10.025 -6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 39 79.689 -10.013 -7.719 1.00 0.00 H new ATOM 574 N ARG A 40 83.726 -11.265 -1.396 1.00 0.00 N ATOM 575 CA ARG A 40 84.944 -12.015 -1.111 1.00 0.00 C ATOM 576 C ARG A 40 85.108 -13.203 -2.056 1.00 0.00 C ATOM 577 O ARG A 40 84.116 -13.826 -2.435 1.00 0.00 O ATOM 578 CB ARG A 40 84.949 -12.488 0.345 1.00 0.00 C ATOM 579 CG ARG A 40 84.969 -11.294 1.312 1.00 0.00 C ATOM 580 CD ARG A 40 83.613 -11.124 2.004 1.00 0.00 C ATOM 581 NE ARG A 40 83.471 -12.119 3.062 1.00 0.00 N ATOM 582 CZ ARG A 40 82.927 -11.822 4.238 1.00 0.00 C ATOM 583 NH1 ARG A 40 83.657 -11.277 5.172 1.00 0.00 N ATOM 584 NH2 ARG A 40 81.659 -12.046 4.448 1.00 0.00 N ATOM 0 H ARG A 40 82.912 -11.555 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 40 85.790 -11.346 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 40 84.067 -13.100 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.820 -13.119 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 40 85.747 -11.441 2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 40 85.219 -10.384 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 40 83.531 -10.121 2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 40 82.807 -11.234 1.278 1.00 0.00 H new ATOM 0 HE ARG A 40 83.799 -13.070 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 40 84.643 -11.080 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 40 83.242 -11.048 6.075 1.00 0.00 H new ATOM 0 HH21 ARG A 40 81.083 -12.450 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 40 81.243 -11.817 5.351 1.00 0.00 H new ATOM 598 N PRO A 41 86.317 -13.589 -2.376 1.00 0.00 N ATOM 599 CA PRO A 41 86.550 -14.711 -3.327 1.00 0.00 C ATOM 600 C PRO A 41 85.819 -15.972 -2.875 1.00 0.00 C ATOM 601 O PRO A 41 85.879 -16.351 -1.705 1.00 0.00 O ATOM 602 CB PRO A 41 88.072 -14.911 -3.345 1.00 0.00 C ATOM 603 CG PRO A 41 88.656 -13.959 -2.349 1.00 0.00 C ATOM 604 CD PRO A 41 87.580 -12.924 -2.013 1.00 0.00 C ATOM 0 HA PRO A 41 86.166 -14.492 -4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.328 -15.939 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 41 88.473 -14.720 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.971 -14.490 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 41 89.541 -13.472 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.600 -12.656 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.722 -12.003 -2.578 1.00 0.00 H new ATOM 612 N GLY A 42 85.133 -16.621 -3.811 1.00 0.00 N ATOM 613 CA GLY A 42 84.405 -17.846 -3.503 1.00 0.00 C ATOM 614 C GLY A 42 83.096 -17.539 -2.784 1.00 0.00 C ATOM 615 O GLY A 42 82.226 -18.402 -2.665 1.00 0.00 O ATOM 0 H GLY A 42 85.066 -16.321 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.199 -18.392 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.023 -18.493 -2.880 1.00 0.00 H new ATOM 619 N SER A 43 82.977 -16.321 -2.263 1.00 0.00 N ATOM 620 CA SER A 43 81.779 -15.910 -1.536 1.00 0.00 C ATOM 621 C SER A 43 80.882 -15.053 -2.425 1.00 0.00 C ATOM 622 O SER A 43 81.245 -14.723 -3.554 1.00 0.00 O ATOM 623 CB SER A 43 82.172 -15.134 -0.277 1.00 0.00 C ATOM 624 OG SER A 43 81.177 -15.319 0.718 1.00 0.00 O ATOM 0 H SER A 43 83.696 -15.601 -2.331 1.00 0.00 H new ATOM 0 HA SER A 43 81.224 -16.802 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 43 83.138 -15.480 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.279 -14.074 -0.508 1.00 0.00 H new ATOM 0 HG SER A 43 81.427 -14.824 1.526 1.00 0.00 H new ATOM 630 N SER A 44 79.735 -14.648 -1.886 1.00 0.00 N ATOM 631 CA SER A 44 78.783 -13.819 -2.620 1.00 0.00 C ATOM 632 C SER A 44 78.692 -12.435 -1.981 1.00 0.00 C ATOM 633 O SER A 44 79.380 -12.158 -0.999 1.00 0.00 O ATOM 634 CB SER A 44 77.409 -14.497 -2.599 1.00 0.00 C ATOM 635 OG SER A 44 76.566 -13.851 -1.656 1.00 0.00 O ATOM 0 H SER A 44 79.441 -14.882 -0.938 1.00 0.00 H new ATOM 0 HA SER A 44 79.119 -13.704 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.958 -14.456 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.517 -15.551 -2.341 1.00 0.00 H new ATOM 0 HG SER A 44 75.689 -14.288 -1.648 1.00 0.00 H new ATOM 641 N PRO A 45 77.910 -11.550 -2.541 1.00 0.00 N ATOM 642 CA PRO A 45 77.706 -10.191 -1.964 1.00 0.00 C ATOM 643 C PRO A 45 77.013 -10.256 -0.606 1.00 0.00 C ATOM 644 O PRO A 45 75.926 -10.823 -0.491 1.00 0.00 O ATOM 645 CB PRO A 45 76.843 -9.458 -3.002 1.00 0.00 C ATOM 646 CG PRO A 45 76.733 -10.363 -4.189 1.00 0.00 C ATOM 647 CD PRO A 45 77.008 -11.779 -3.681 1.00 0.00 C ATOM 0 HA PRO A 45 78.650 -9.679 -1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 45 75.857 -9.232 -2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.298 -8.508 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.741 -10.297 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.450 -10.081 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.091 -12.284 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.474 -12.399 -4.447 1.00 0.00 H new ATOM 655 N THR A 46 77.528 -9.505 0.362 1.00 0.00 N ATOM 656 CA THR A 46 76.922 -9.439 1.688 1.00 0.00 C ATOM 657 C THR A 46 76.834 -7.992 2.159 1.00 0.00 C ATOM 658 O THR A 46 77.822 -7.258 2.133 1.00 0.00 O ATOM 659 CB THR A 46 77.747 -10.251 2.688 1.00 0.00 C ATOM 660 OG1 THR A 46 77.199 -10.086 3.988 1.00 0.00 O ATOM 661 CG2 THR A 46 79.200 -9.770 2.690 1.00 0.00 C ATOM 0 H THR A 46 78.365 -8.932 0.253 1.00 0.00 H new ATOM 0 HA THR A 46 75.917 -9.857 1.627 1.00 0.00 H new ATOM 0 HB THR A 46 77.721 -11.302 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.723 -10.606 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.776 -10.356 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.625 -9.893 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.234 -8.718 2.971 1.00 0.00 H new ATOM 669 N THR A 47 75.647 -7.595 2.606 1.00 0.00 N ATOM 670 CA THR A 47 75.445 -6.235 3.090 1.00 0.00 C ATOM 671 C THR A 47 76.377 -5.944 4.264 1.00 0.00 C ATOM 672 O THR A 47 76.219 -6.521 5.341 1.00 0.00 O ATOM 673 CB THR A 47 73.987 -6.051 3.519 1.00 0.00 C ATOM 674 OG1 THR A 47 73.890 -4.974 4.439 1.00 0.00 O ATOM 675 CG2 THR A 47 73.489 -7.333 4.189 1.00 0.00 C ATOM 0 H THR A 47 74.819 -8.189 2.643 1.00 0.00 H new ATOM 0 HA THR A 47 75.673 -5.536 2.285 1.00 0.00 H new ATOM 0 HB THR A 47 73.378 -5.834 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.956 -4.685 4.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.451 -7.204 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.559 -8.162 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.102 -7.547 5.065 1.00 0.00 H new ATOM 683 N VAL A 48 77.177 -4.890 4.130 1.00 0.00 N ATOM 684 CA VAL A 48 78.138 -4.541 5.174 1.00 0.00 C ATOM 685 C VAL A 48 77.565 -3.471 6.099 1.00 0.00 C ATOM 686 O VAL A 48 77.625 -3.618 7.320 1.00 0.00 O ATOM 687 CB VAL A 48 79.420 -3.975 4.558 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.489 -3.828 5.644 1.00 0.00 C ATOM 689 CG2 VAL A 48 79.942 -4.910 3.466 1.00 0.00 C ATOM 0 H VAL A 48 77.181 -4.269 3.321 1.00 0.00 H new ATOM 0 HA VAL A 48 78.352 -5.452 5.733 1.00 0.00 H new ATOM 0 HB VAL A 48 79.198 -3.002 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.401 -3.425 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.130 -3.151 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 48 80.698 -4.803 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 48 80.854 -4.495 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.156 -5.888 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.188 -5.014 2.685 1.00 0.00 H new ATOM 699 N ILE A 49 76.776 -2.563 5.534 1.00 0.00 N ATOM 700 CA ILE A 49 76.113 -1.531 6.326 1.00 0.00 C ATOM 701 C ILE A 49 74.701 -1.309 5.794 1.00 0.00 C ATOM 702 O ILE A 49 74.397 -1.631 4.645 1.00 0.00 O ATOM 703 CB ILE A 49 76.924 -0.229 6.282 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.227 -0.439 7.063 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.100 0.924 6.868 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.947 0.885 7.323 1.00 0.00 C ATOM 0 H ILE A 49 76.580 -2.520 4.534 1.00 0.00 H new ATOM 0 HA ILE A 49 76.049 -1.855 7.365 1.00 0.00 H new ATOM 0 HB ILE A 49 77.166 0.032 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.008 -0.927 8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.883 -1.107 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.684 1.844 6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.187 1.051 6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.842 0.698 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.866 0.697 7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.189 1.360 6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.300 1.543 7.904 1.00 0.00 H new ATOM 718 N TYR A 50 73.876 -0.657 6.608 1.00 0.00 N ATOM 719 CA TYR A 50 72.494 -0.369 6.239 1.00 0.00 C ATOM 720 C TYR A 50 72.186 1.100 6.515 1.00 0.00 C ATOM 721 O TYR A 50 72.896 1.765 7.269 1.00 0.00 O ATOM 722 CB TYR A 50 71.551 -1.281 7.040 1.00 0.00 C ATOM 723 CG TYR A 50 70.685 -2.112 6.120 1.00 0.00 C ATOM 724 CD1 TYR A 50 71.273 -3.111 5.335 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.323 -1.820 5.973 1.00 0.00 C ATOM 726 CE1 TYR A 50 70.482 -3.891 4.483 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.531 -2.593 5.115 1.00 0.00 C ATOM 728 CZ TYR A 50 69.119 -3.604 4.345 1.00 0.00 C ATOM 729 OH TYR A 50 68.340 -4.357 3.490 1.00 0.00 O ATOM 0 H TYR A 50 74.143 -0.317 7.532 1.00 0.00 H new ATOM 0 HA TYR A 50 72.347 -0.560 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.136 -1.937 7.685 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.920 -0.675 7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 50 72.338 -3.280 5.387 1.00 0.00 H new ATOM 0 HD2 TYR A 50 68.884 -0.999 6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 50 70.922 -4.711 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.469 -2.410 5.047 1.00 0.00 H new ATOM 0 HH TYR A 50 67.417 -4.027 3.512 1.00 0.00 H new ATOM 739 N GLU A 51 71.180 1.618 5.819 1.00 0.00 N ATOM 740 CA GLU A 51 70.825 3.027 5.933 1.00 0.00 C ATOM 741 C GLU A 51 72.076 3.899 5.916 1.00 0.00 C ATOM 742 O GLU A 51 72.051 5.045 6.364 1.00 0.00 O ATOM 743 CB GLU A 51 70.073 3.269 7.244 1.00 0.00 C ATOM 744 CG GLU A 51 68.695 2.609 7.182 1.00 0.00 C ATOM 745 CD GLU A 51 67.899 2.938 8.441 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.517 3.209 9.456 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.685 3.006 8.346 1.00 0.00 O ATOM 0 H GLU A 51 70.598 1.085 5.172 1.00 0.00 H new ATOM 0 HA GLU A 51 70.192 3.289 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.643 2.864 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.966 4.339 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.156 2.956 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.805 1.529 7.083 1.00 0.00 H new ATOM 754 N ASP A 52 73.161 3.354 5.375 1.00 0.00 N ATOM 755 CA ASP A 52 74.409 4.096 5.230 1.00 0.00 C ATOM 756 C ASP A 52 74.723 4.824 6.533 1.00 0.00 C ATOM 757 O ASP A 52 75.548 5.736 6.566 1.00 0.00 O ATOM 758 CB ASP A 52 74.340 5.086 4.060 1.00 0.00 C ATOM 759 CG ASP A 52 72.909 5.546 3.803 1.00 0.00 C ATOM 760 OD1 ASP A 52 72.102 4.709 3.433 1.00 0.00 O ATOM 761 OD2 ASP A 52 72.621 6.704 4.059 1.00 0.00 O ATOM 0 H ASP A 52 73.201 2.396 5.028 1.00 0.00 H new ATOM 0 HA ASP A 52 75.209 3.389 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.968 5.950 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.740 4.617 3.161 1.00 0.00 H new ATOM 766 N ASN A 53 74.103 4.366 7.616 1.00 0.00 N ATOM 767 CA ASN A 53 74.324 4.940 8.939 1.00 0.00 C ATOM 768 C ASN A 53 75.041 3.942 9.842 1.00 0.00 C ATOM 769 O ASN A 53 75.989 4.299 10.541 1.00 0.00 O ATOM 770 CB ASN A 53 72.985 5.362 9.545 1.00 0.00 C ATOM 771 CG ASN A 53 72.366 6.464 8.690 1.00 0.00 C ATOM 772 OD1 ASN A 53 73.114 7.134 7.856 1.00 0.00 O flip ATOM 773 ND2 ASN A 53 71.166 6.722 8.778 1.00 0.00 N flip ATOM 0 H ASN A 53 73.438 3.593 7.602 1.00 0.00 H new ATOM 0 HA ASN A 53 74.959 5.821 8.846 1.00 0.00 H new ATOM 0 HB2 ASN A 53 72.312 4.506 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 53 73.131 5.717 10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 53 70.579 6.200 9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 53 70.759 7.457 8.200 1.00 0.00 H new ATOM 780 N GLN A 54 74.496 2.732 9.934 1.00 0.00 N ATOM 781 CA GLN A 54 75.033 1.722 10.840 1.00 0.00 C ATOM 782 C GLN A 54 74.754 0.329 10.282 1.00 0.00 C ATOM 783 O GLN A 54 73.951 0.163 9.364 1.00 0.00 O ATOM 784 CB GLN A 54 74.439 1.879 12.248 1.00 0.00 C ATOM 785 CG GLN A 54 73.353 2.956 12.266 1.00 0.00 C ATOM 786 CD GLN A 54 72.656 2.947 13.621 1.00 0.00 C ATOM 787 OE1 GLN A 54 73.131 2.188 14.569 1.00 0.00 O flip ATOM 788 NE2 GLN A 54 71.664 3.648 13.822 1.00 0.00 N flip ATOM 0 H GLN A 54 73.686 2.428 9.394 1.00 0.00 H new ATOM 0 HA GLN A 54 76.111 1.858 10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.020 0.929 12.578 1.00 0.00 H new ATOM 0 HB3 GLN A 54 75.228 2.141 12.953 1.00 0.00 H new ATOM 0 HG2 GLN A 54 73.793 3.935 12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.630 2.773 11.471 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.298 4.239 13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.208 3.637 14.735 1.00 0.00 H new ATOM 797 N ARG A 55 75.387 -0.678 10.878 1.00 0.00 N ATOM 798 CA ARG A 55 75.217 -2.062 10.447 1.00 0.00 C ATOM 799 C ARG A 55 74.332 -2.816 11.437 1.00 0.00 C ATOM 800 O ARG A 55 74.346 -2.494 12.625 1.00 0.00 O ATOM 801 CB ARG A 55 76.597 -2.717 10.339 1.00 0.00 C ATOM 802 CG ARG A 55 77.183 -3.003 11.722 1.00 0.00 C ATOM 803 CD ARG A 55 78.586 -3.589 11.561 1.00 0.00 C ATOM 804 NE ARG A 55 78.536 -4.838 10.808 1.00 0.00 N ATOM 805 CZ ARG A 55 78.791 -4.887 9.504 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.753 -4.160 9.003 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.112 -5.694 8.735 1.00 0.00 N ATOM 0 H ARG A 55 76.025 -0.560 11.665 1.00 0.00 H new ATOM 0 HA ARG A 55 74.728 -2.092 9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.518 -3.647 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.270 -2.064 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 55 77.224 -2.086 12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.544 -3.701 12.264 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.228 -2.874 11.047 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.027 -3.766 12.542 1.00 0.00 H new ATOM 0 HE ARG A 55 78.298 -5.701 11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.306 -3.557 9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.951 -4.195 8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.385 -6.288 9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.308 -5.731 7.735 1.00 0.00 H new ATOM 821 N PRO A 56 73.806 -3.953 11.062 1.00 0.00 N ATOM 822 CA PRO A 56 72.976 -4.767 11.995 1.00 0.00 C ATOM 823 C PRO A 56 73.751 -5.129 13.259 1.00 0.00 C ATOM 824 O PRO A 56 74.975 -5.018 13.300 1.00 0.00 O ATOM 825 CB PRO A 56 72.591 -6.015 11.188 1.00 0.00 C ATOM 826 CG PRO A 56 73.256 -5.884 9.854 1.00 0.00 C ATOM 827 CD PRO A 56 73.600 -4.405 9.675 1.00 0.00 C ATOM 0 HA PRO A 56 72.098 -4.223 12.344 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.919 -6.922 11.697 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.509 -6.085 11.076 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.155 -6.498 9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.595 -6.226 9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.494 -4.267 9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.794 -3.858 9.186 1.00 0.00 H new ATOM 835 N SER A 57 73.033 -5.479 14.321 1.00 0.00 N ATOM 836 CA SER A 57 73.693 -5.867 15.562 1.00 0.00 C ATOM 837 C SER A 57 74.345 -7.239 15.409 1.00 0.00 C ATOM 838 O SER A 57 73.668 -8.217 15.091 1.00 0.00 O ATOM 839 CB SER A 57 72.685 -5.854 16.716 1.00 0.00 C ATOM 840 OG SER A 57 73.136 -4.949 17.713 1.00 0.00 O ATOM 0 H SER A 57 72.014 -5.502 14.349 1.00 0.00 H new ATOM 0 HA SER A 57 74.480 -5.148 15.790 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.701 -5.555 16.353 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.580 -6.855 17.135 1.00 0.00 H new ATOM 0 HG SER A 57 72.495 -4.933 18.455 1.00 0.00 H new ATOM 846 N GLY A 58 75.589 -7.349 15.868 1.00 0.00 N ATOM 847 CA GLY A 58 76.279 -8.634 15.917 1.00 0.00 C ATOM 848 C GLY A 58 77.434 -8.677 14.921 1.00 0.00 C ATOM 849 O GLY A 58 78.487 -9.246 15.209 1.00 0.00 O ATOM 0 H GLY A 58 76.140 -6.562 16.212 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.657 -8.809 16.924 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.575 -9.437 15.697 1.00 0.00 H new ATOM 853 N VAL A 59 77.230 -8.103 13.739 1.00 0.00 N ATOM 854 CA VAL A 59 78.263 -8.138 12.708 1.00 0.00 C ATOM 855 C VAL A 59 79.391 -7.170 13.063 1.00 0.00 C ATOM 856 O VAL A 59 79.151 -6.159 13.724 1.00 0.00 O ATOM 857 CB VAL A 59 77.653 -7.774 11.349 1.00 0.00 C ATOM 858 CG1 VAL A 59 77.066 -9.021 10.682 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.543 -6.738 11.545 1.00 0.00 C ATOM 0 H VAL A 59 76.374 -7.616 13.473 1.00 0.00 H new ATOM 0 HA VAL A 59 78.676 -9.145 12.649 1.00 0.00 H new ATOM 0 HB VAL A 59 78.435 -7.361 10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.636 -8.750 9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.854 -9.759 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.289 -9.443 11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.111 -6.481 10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.768 -7.152 12.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.959 -5.842 12.007 1.00 0.00 H new ATOM 869 N PRO A 60 80.555 -7.348 12.496 1.00 0.00 N ATOM 870 CA PRO A 60 81.731 -6.498 12.837 1.00 0.00 C ATOM 871 C PRO A 60 81.436 -5.024 12.571 1.00 0.00 C ATOM 872 O PRO A 60 80.934 -4.680 11.501 1.00 0.00 O ATOM 873 CB PRO A 60 82.860 -7.013 11.932 1.00 0.00 C ATOM 874 CG PRO A 60 82.329 -8.193 11.179 1.00 0.00 C ATOM 875 CD PRO A 60 80.980 -8.570 11.796 1.00 0.00 C ATOM 0 HA PRO A 60 81.994 -6.562 13.893 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.185 -6.233 11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.729 -7.296 12.526 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.212 -7.952 10.123 1.00 0.00 H new ATOM 0 HG3 PRO A 60 83.025 -9.030 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.260 -8.863 11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 60 81.076 -9.411 12.483 1.00 0.00 H new ATOM 883 N ASP A 61 81.912 -4.152 13.455 1.00 0.00 N ATOM 884 CA ASP A 61 81.690 -2.714 13.321 1.00 0.00 C ATOM 885 C ASP A 61 82.953 -2.009 12.838 1.00 0.00 C ATOM 886 O ASP A 61 83.085 -0.794 12.983 1.00 0.00 O ATOM 887 CB ASP A 61 81.249 -2.133 14.667 1.00 0.00 C ATOM 888 CG ASP A 61 79.764 -2.393 14.893 1.00 0.00 C ATOM 889 OD1 ASP A 61 78.972 -1.875 14.124 1.00 0.00 O ATOM 890 OD2 ASP A 61 79.437 -3.075 15.851 1.00 0.00 O ATOM 0 H ASP A 61 82.457 -4.417 14.276 1.00 0.00 H new ATOM 0 HA ASP A 61 80.907 -2.553 12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.831 -2.581 15.473 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.445 -1.061 14.690 1.00 0.00 H new ATOM 895 N ARG A 62 83.856 -2.766 12.225 1.00 0.00 N ATOM 896 CA ARG A 62 85.073 -2.175 11.681 1.00 0.00 C ATOM 897 C ARG A 62 84.748 -1.333 10.450 1.00 0.00 C ATOM 898 O ARG A 62 85.627 -0.644 9.935 1.00 0.00 O ATOM 899 CB ARG A 62 86.114 -3.252 11.346 1.00 0.00 C ATOM 900 CG ARG A 62 85.452 -4.631 11.291 1.00 0.00 C ATOM 901 CD ARG A 62 86.475 -5.710 10.916 1.00 0.00 C ATOM 902 NE ARG A 62 87.628 -5.128 10.236 1.00 0.00 N ATOM 903 CZ ARG A 62 87.858 -5.315 8.940 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.491 -6.430 8.369 1.00 0.00 N ATOM 905 NH2 ARG A 62 88.543 -4.432 8.264 1.00 0.00 N ATOM 0 H ARG A 62 83.772 -3.774 12.093 1.00 0.00 H new ATOM 0 HA ARG A 62 85.505 -1.526 12.443 1.00 0.00 H new ATOM 0 HB2 ARG A 62 86.584 -3.028 10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.904 -3.250 12.097 1.00 0.00 H new ATOM 0 HG2 ARG A 62 85.007 -4.865 12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 62 84.642 -4.622 10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 62 86.804 -6.231 11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 62 86.005 -6.452 10.271 1.00 0.00 H new ATOM 0 HE ARG A 62 88.280 -4.558 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 62 87.029 -7.156 8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.666 -6.576 7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 62 88.902 -3.599 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 62 88.719 -4.576 7.270 1.00 0.00 H new ATOM 919 N PHE A 63 83.513 -1.406 9.959 1.00 0.00 N ATOM 920 CA PHE A 63 83.095 -0.618 8.803 1.00 0.00 C ATOM 921 C PHE A 63 82.136 0.476 9.256 1.00 0.00 C ATOM 922 O PHE A 63 81.307 0.255 10.138 1.00 0.00 O ATOM 923 CB PHE A 63 82.369 -1.521 7.803 1.00 0.00 C ATOM 924 CG PHE A 63 83.142 -2.804 7.614 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.946 -3.875 8.495 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.976 -2.958 6.502 1.00 0.00 C ATOM 927 CE1 PHE A 63 83.586 -5.098 8.261 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.681 -4.153 6.319 1.00 0.00 C ATOM 929 CZ PHE A 63 84.500 -5.220 7.208 1.00 0.00 C ATOM 0 H PHE A 63 82.783 -2.005 10.345 1.00 0.00 H new ATOM 0 HA PHE A 63 83.974 -0.175 8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.364 -1.741 8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.261 -1.007 6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 63 82.302 -3.758 9.354 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.076 -2.156 5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 63 83.374 -5.948 8.893 1.00 0.00 H new ATOM 0 HE2 PHE A 63 85.366 -4.253 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 63 85.063 -6.133 7.082 1.00 0.00 H new ATOM 939 N SER A 64 82.171 1.614 8.571 1.00 0.00 N ATOM 940 CA SER A 64 81.251 2.697 8.906 1.00 0.00 C ATOM 941 C SER A 64 80.819 3.435 7.645 1.00 0.00 C ATOM 942 O SER A 64 81.675 3.889 6.891 1.00 0.00 O ATOM 943 CB SER A 64 81.929 3.678 9.864 1.00 0.00 C ATOM 944 OG SER A 64 80.944 4.497 10.476 1.00 0.00 O ATOM 0 H SER A 64 82.809 1.809 7.799 1.00 0.00 H new ATOM 0 HA SER A 64 80.371 2.269 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.488 3.133 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.646 4.295 9.323 1.00 0.00 H new ATOM 0 HG SER A 64 81.377 5.125 11.091 1.00 0.00 H new ATOM 950 N GLY A 65 79.510 3.583 7.451 1.00 0.00 N ATOM 951 CA GLY A 65 78.978 4.297 6.294 1.00 0.00 C ATOM 952 C GLY A 65 78.685 5.755 6.632 1.00 0.00 C ATOM 953 O GLY A 65 78.230 6.064 7.734 1.00 0.00 O ATOM 0 H GLY A 65 78.797 3.217 8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.693 4.248 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.065 3.810 5.951 1.00 0.00 H new ATOM 957 N SER A 66 78.849 6.633 5.646 1.00 0.00 N ATOM 958 CA SER A 66 78.567 8.054 5.831 1.00 0.00 C ATOM 959 C SER A 66 78.031 8.661 4.538 1.00 0.00 C ATOM 960 O SER A 66 78.208 8.097 3.458 1.00 0.00 O ATOM 961 CB SER A 66 79.844 8.780 6.266 1.00 0.00 C ATOM 962 OG SER A 66 80.634 7.900 7.052 1.00 0.00 O ATOM 0 H SER A 66 79.175 6.386 4.712 1.00 0.00 H new ATOM 0 HA SER A 66 77.809 8.168 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.405 9.110 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 66 79.593 9.673 6.839 1.00 0.00 H new ATOM 0 HG SER A 66 81.133 7.295 6.464 1.00 0.00 H new ATOM 968 N ILE A 67 77.351 9.798 4.655 1.00 0.00 N ATOM 969 CA ILE A 67 76.749 10.455 3.499 1.00 0.00 C ATOM 970 C ILE A 67 76.987 11.960 3.560 1.00 0.00 C ATOM 971 O ILE A 67 76.988 12.556 4.637 1.00 0.00 O ATOM 972 CB ILE A 67 75.246 10.167 3.425 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.563 10.454 4.769 1.00 0.00 C ATOM 974 CG2 ILE A 67 75.026 8.717 2.981 1.00 0.00 C ATOM 975 CD1 ILE A 67 74.556 9.222 5.680 1.00 0.00 C ATOM 0 H ILE A 67 77.203 10.284 5.540 1.00 0.00 H new ATOM 0 HA ILE A 67 77.221 10.056 2.602 1.00 0.00 H new ATOM 0 HB ILE A 67 74.791 10.830 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 67 75.078 11.274 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 67 73.538 10.781 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.957 8.511 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.474 8.565 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.490 8.042 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 67 74.064 9.468 6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 67 74.018 8.410 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 67 75.581 8.910 5.878 1.00 0.00 H new ATOM 987 N ASP A 68 77.205 12.568 2.396 1.00 0.00 N ATOM 988 CA ASP A 68 77.430 14.007 2.304 1.00 0.00 C ATOM 989 C ASP A 68 76.366 14.650 1.421 1.00 0.00 C ATOM 990 O ASP A 68 76.586 14.874 0.230 1.00 0.00 O ATOM 991 CB ASP A 68 78.812 14.276 1.704 1.00 0.00 C ATOM 992 CG ASP A 68 79.897 13.858 2.692 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.587 13.736 3.866 1.00 0.00 O ATOM 994 OD2 ASP A 68 81.031 13.707 2.268 1.00 0.00 O ATOM 0 H ASP A 68 77.230 12.082 1.499 1.00 0.00 H new ATOM 0 HA ASP A 68 77.374 14.435 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.926 13.725 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.914 15.334 1.464 1.00 0.00 H new ATOM 999 N SER A 69 75.244 15.014 2.031 1.00 0.00 N ATOM 1000 CA SER A 69 74.158 15.643 1.291 1.00 0.00 C ATOM 1001 C SER A 69 74.649 16.909 0.598 1.00 0.00 C ATOM 1002 O SER A 69 74.060 17.361 -0.384 1.00 0.00 O ATOM 1003 CB SER A 69 73.011 15.977 2.248 1.00 0.00 C ATOM 1004 OG SER A 69 72.900 14.947 3.220 1.00 0.00 O ATOM 0 H SER A 69 75.064 14.886 3.027 1.00 0.00 H new ATOM 0 HA SER A 69 73.801 14.950 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 69 73.195 16.935 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.077 16.074 1.695 1.00 0.00 H new ATOM 0 HG SER A 69 72.168 15.157 3.837 1.00 0.00 H new ATOM 1010 N SER A 70 75.691 17.513 1.158 1.00 0.00 N ATOM 1011 CA SER A 70 76.234 18.748 0.604 1.00 0.00 C ATOM 1012 C SER A 70 77.121 18.457 -0.602 1.00 0.00 C ATOM 1013 O SER A 70 76.951 19.046 -1.670 1.00 0.00 O ATOM 1014 CB SER A 70 77.077 19.447 1.671 1.00 0.00 C ATOM 1015 OG SER A 70 76.374 19.452 2.906 1.00 0.00 O ATOM 0 H SER A 70 76.174 17.171 1.989 1.00 0.00 H new ATOM 0 HA SER A 70 75.404 19.381 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.032 18.935 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.298 20.469 1.363 1.00 0.00 H new ATOM 0 HG SER A 70 76.916 19.899 3.589 1.00 0.00 H new ATOM 1021 N SER A 71 78.066 17.540 -0.420 1.00 0.00 N ATOM 1022 CA SER A 71 78.988 17.186 -1.492 1.00 0.00 C ATOM 1023 C SER A 71 78.315 16.215 -2.455 1.00 0.00 C ATOM 1024 O SER A 71 78.858 15.888 -3.511 1.00 0.00 O ATOM 1025 CB SER A 71 80.246 16.538 -0.910 1.00 0.00 C ATOM 1026 OG SER A 71 81.273 16.532 -1.891 1.00 0.00 O ATOM 0 H SER A 71 78.213 17.032 0.453 1.00 0.00 H new ATOM 0 HA SER A 71 79.267 18.093 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.575 17.086 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.028 15.519 -0.590 1.00 0.00 H new ATOM 0 HG SER A 71 80.902 16.246 -2.752 1.00 0.00 H new ATOM 1032 N ASN A 72 77.116 15.777 -2.087 1.00 0.00 N ATOM 1033 CA ASN A 72 76.370 14.854 -2.933 1.00 0.00 C ATOM 1034 C ASN A 72 77.162 13.570 -3.157 1.00 0.00 C ATOM 1035 O ASN A 72 77.160 13.017 -4.256 1.00 0.00 O ATOM 1036 CB ASN A 72 76.069 15.508 -4.284 1.00 0.00 C ATOM 1037 CG ASN A 72 74.961 14.745 -5.002 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.810 15.180 -5.006 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.242 13.636 -5.629 1.00 0.00 N ATOM 0 H ASN A 72 76.646 16.042 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 72 75.435 14.609 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.769 16.545 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.969 15.521 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.507 13.129 -6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.196 13.276 -5.625 1.00 0.00 H new ATOM 1046 N SER A 73 77.929 13.161 -2.150 1.00 0.00 N ATOM 1047 CA SER A 73 78.754 11.962 -2.259 1.00 0.00 C ATOM 1048 C SER A 73 78.682 11.134 -0.981 1.00 0.00 C ATOM 1049 O SER A 73 78.240 11.616 0.062 1.00 0.00 O ATOM 1050 CB SER A 73 80.209 12.347 -2.532 1.00 0.00 C ATOM 1051 OG SER A 73 80.858 12.627 -1.300 1.00 0.00 O ATOM 0 H SER A 73 77.996 13.640 -1.252 1.00 0.00 H new ATOM 0 HA SER A 73 78.372 11.365 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.721 11.536 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.250 13.219 -3.185 1.00 0.00 H new ATOM 0 HG SER A 73 81.791 12.873 -1.470 1.00 0.00 H new ATOM 1057 N ALA A 74 79.011 9.851 -1.095 1.00 0.00 N ATOM 1058 CA ALA A 74 78.940 8.935 0.039 1.00 0.00 C ATOM 1059 C ALA A 74 80.332 8.413 0.367 1.00 0.00 C ATOM 1060 O ALA A 74 81.161 8.222 -0.522 1.00 0.00 O ATOM 1061 CB ALA A 74 78.017 7.758 -0.282 1.00 0.00 C ATOM 0 H ALA A 74 79.330 9.421 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 74 78.540 9.474 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.975 7.084 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 74 77.016 8.130 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.401 7.220 -1.149 1.00 0.00 H new ATOM 1067 N SER A 75 80.590 8.211 1.656 1.00 0.00 N ATOM 1068 CA SER A 75 81.914 7.787 2.098 1.00 0.00 C ATOM 1069 C SER A 75 81.813 6.866 3.308 1.00 0.00 C ATOM 1070 O SER A 75 80.972 7.080 4.181 1.00 0.00 O ATOM 1071 CB SER A 75 82.763 9.005 2.466 1.00 0.00 C ATOM 1072 OG SER A 75 82.720 9.947 1.404 1.00 0.00 O ATOM 0 H SER A 75 79.908 8.332 2.405 1.00 0.00 H new ATOM 0 HA SER A 75 82.384 7.245 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.390 9.458 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.792 8.701 2.656 1.00 0.00 H new ATOM 0 HG SER A 75 83.262 10.729 1.638 1.00 0.00 H new ATOM 1078 N LEU A 76 82.545 5.754 3.264 1.00 0.00 N ATOM 1079 CA LEU A 76 82.580 4.814 4.382 1.00 0.00 C ATOM 1080 C LEU A 76 83.936 4.875 5.080 1.00 0.00 C ATOM 1081 O LEU A 76 84.977 4.792 4.432 1.00 0.00 O ATOM 1082 CB LEU A 76 82.227 3.404 3.882 1.00 0.00 C ATOM 1083 CG LEU A 76 83.073 2.292 4.521 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.349 0.948 4.370 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.479 2.229 3.905 1.00 0.00 C ATOM 0 H LEU A 76 83.121 5.483 2.467 1.00 0.00 H new ATOM 0 HA LEU A 76 81.833 5.089 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.174 3.209 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.355 3.369 2.800 1.00 0.00 H new ATOM 0 HG LEU A 76 83.197 2.516 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.949 0.159 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.380 0.999 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.203 0.730 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.049 1.431 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.399 2.030 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.987 3.181 4.060 1.00 0.00 H new ATOM 1097 N THR A 77 83.923 4.921 6.410 1.00 0.00 N ATOM 1098 CA THR A 77 85.157 4.897 7.190 1.00 0.00 C ATOM 1099 C THR A 77 85.347 3.540 7.859 1.00 0.00 C ATOM 1100 O THR A 77 84.513 3.099 8.649 1.00 0.00 O ATOM 1101 CB THR A 77 85.113 5.992 8.258 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.706 7.217 7.666 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.503 6.161 8.875 1.00 0.00 C ATOM 0 H THR A 77 83.072 4.975 6.970 1.00 0.00 H new ATOM 0 HA THR A 77 85.995 5.074 6.516 1.00 0.00 H new ATOM 0 HB THR A 77 84.402 5.711 9.035 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.676 7.917 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.471 6.941 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.815 5.222 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.214 6.441 8.098 1.00 0.00 H new ATOM 1111 N ILE A 78 86.466 2.887 7.559 1.00 0.00 N ATOM 1112 CA ILE A 78 86.781 1.589 8.146 1.00 0.00 C ATOM 1113 C ILE A 78 87.916 1.757 9.153 1.00 0.00 C ATOM 1114 O ILE A 78 88.970 2.293 8.813 1.00 0.00 O ATOM 1115 CB ILE A 78 87.187 0.648 7.006 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.956 -0.021 6.384 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.168 -0.428 7.484 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.282 -0.499 4.966 1.00 0.00 C ATOM 0 H ILE A 78 87.172 3.237 6.911 1.00 0.00 H new ATOM 0 HA ILE A 78 85.923 1.171 8.673 1.00 0.00 H new ATOM 0 HB ILE A 78 87.684 1.257 6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.641 -0.865 6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.124 0.682 6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.433 -1.076 6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.068 0.048 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.702 -1.022 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.402 -0.973 4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.575 0.353 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.101 -1.218 5.004 1.00 0.00 H new ATOM 1130 N SER A 79 87.786 1.116 10.311 1.00 0.00 N ATOM 1131 CA SER A 79 88.824 1.169 11.335 1.00 0.00 C ATOM 1132 C SER A 79 89.529 -0.178 11.459 1.00 0.00 C ATOM 1133 O SER A 79 88.893 -1.230 11.419 1.00 0.00 O ATOM 1134 CB SER A 79 88.196 1.541 12.679 1.00 0.00 C ATOM 1135 OG SER A 79 87.306 0.511 13.082 1.00 0.00 O ATOM 0 H SER A 79 86.973 0.554 10.563 1.00 0.00 H new ATOM 0 HA SER A 79 89.558 1.921 11.048 1.00 0.00 H new ATOM 0 HB2 SER A 79 88.973 1.680 13.430 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.661 2.487 12.594 1.00 0.00 H new ATOM 0 HG SER A 79 86.903 0.746 13.944 1.00 0.00 H new ATOM 1141 N GLY A 80 90.853 -0.136 11.576 1.00 0.00 N ATOM 1142 CA GLY A 80 91.637 -1.353 11.753 1.00 0.00 C ATOM 1143 C GLY A 80 91.338 -2.368 10.654 1.00 0.00 C ATOM 1144 O GLY A 80 90.575 -3.312 10.856 1.00 0.00 O ATOM 0 H GLY A 80 91.403 0.723 11.552 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.699 -1.108 11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.417 -1.792 12.726 1.00 0.00 H new ATOM 1148 N LEU A 81 91.889 -2.123 9.469 1.00 0.00 N ATOM 1149 CA LEU A 81 91.694 -3.024 8.340 1.00 0.00 C ATOM 1150 C LEU A 81 92.522 -4.295 8.505 1.00 0.00 C ATOM 1151 O LEU A 81 93.572 -4.280 9.148 1.00 0.00 O ATOM 1152 CB LEU A 81 92.089 -2.301 7.050 1.00 0.00 C ATOM 1153 CG LEU A 81 93.616 -2.160 6.946 1.00 0.00 C ATOM 1154 CD1 LEU A 81 94.176 -3.162 5.933 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.991 -0.749 6.492 1.00 0.00 C ATOM 0 H LEU A 81 92.472 -1.311 9.267 1.00 0.00 H new ATOM 0 HA LEU A 81 90.644 -3.313 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.711 -2.852 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.626 -1.314 7.025 1.00 0.00 H new ATOM 0 HG LEU A 81 94.039 -2.355 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 81 95.258 -3.050 5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.934 -4.176 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.735 -2.975 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 81 95.076 -0.665 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.549 -0.552 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.616 -0.023 7.213 1.00 0.00 H new ATOM 1167 N LYS A 82 92.071 -5.381 7.884 1.00 0.00 N ATOM 1168 CA LYS A 82 92.810 -6.639 7.921 1.00 0.00 C ATOM 1169 C LYS A 82 92.540 -7.473 6.672 1.00 0.00 C ATOM 1170 O LYS A 82 91.627 -7.180 5.901 1.00 0.00 O ATOM 1171 CB LYS A 82 92.418 -7.442 9.163 1.00 0.00 C ATOM 1172 CG LYS A 82 93.007 -6.787 10.415 1.00 0.00 C ATOM 1173 CD LYS A 82 92.767 -7.675 11.641 1.00 0.00 C ATOM 1174 CE LYS A 82 93.804 -7.358 12.721 1.00 0.00 C ATOM 1175 NZ LYS A 82 94.023 -5.886 12.787 1.00 0.00 N ATOM 0 H LYS A 82 91.202 -5.416 7.352 1.00 0.00 H new ATOM 0 HA LYS A 82 93.873 -6.402 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.332 -7.494 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.780 -8.466 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.076 -6.623 10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.552 -5.809 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 82 91.762 -7.511 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 82 92.832 -8.726 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.462 -7.729 13.687 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.742 -7.866 12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.412 -5.634 13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.692 -5.601 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.118 -5.394 12.645 1.00 0.00 H new ATOM 1189 N THR A 83 93.338 -8.520 6.488 1.00 0.00 N ATOM 1190 CA THR A 83 93.217 -9.370 5.308 1.00 0.00 C ATOM 1191 C THR A 83 91.843 -10.019 5.238 1.00 0.00 C ATOM 1192 O THR A 83 91.258 -10.149 4.163 1.00 0.00 O ATOM 1193 CB THR A 83 94.286 -10.464 5.337 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.167 -11.207 6.541 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.675 -9.820 5.270 1.00 0.00 C ATOM 0 H THR A 83 94.073 -8.800 7.138 1.00 0.00 H new ATOM 0 HA THR A 83 93.354 -8.741 4.429 1.00 0.00 H new ATOM 0 HB THR A 83 94.152 -11.129 4.484 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.850 -11.910 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.438 -10.598 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.766 -9.247 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.810 -9.157 6.124 1.00 0.00 H new ATOM 1203 N GLU A 84 91.284 -10.295 6.409 1.00 0.00 N ATOM 1204 CA GLU A 84 89.935 -10.842 6.469 1.00 0.00 C ATOM 1205 C GLU A 84 88.972 -9.930 5.716 1.00 0.00 C ATOM 1206 O GLU A 84 87.789 -10.244 5.582 1.00 0.00 O ATOM 1207 CB GLU A 84 89.485 -10.991 7.925 1.00 0.00 C ATOM 1208 CG GLU A 84 89.894 -9.753 8.726 1.00 0.00 C ATOM 1209 CD GLU A 84 89.051 -9.642 9.993 1.00 0.00 C ATOM 1210 OE1 GLU A 84 87.837 -9.663 9.877 1.00 0.00 O ATOM 1211 OE2 GLU A 84 89.635 -9.554 11.061 1.00 0.00 O ATOM 0 H GLU A 84 91.733 -10.153 7.314 1.00 0.00 H new ATOM 0 HA GLU A 84 89.934 -11.827 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 84 88.404 -11.122 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 84 89.933 -11.883 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 84 90.950 -9.813 8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 84 89.767 -8.858 8.116 1.00 0.00 H new ATOM 1218 N ASP A 85 89.474 -8.787 5.251 1.00 0.00 N ATOM 1219 CA ASP A 85 88.660 -7.835 4.502 1.00 0.00 C ATOM 1220 C ASP A 85 89.047 -7.842 3.026 1.00 0.00 C ATOM 1221 O ASP A 85 88.216 -7.517 2.178 1.00 0.00 O ATOM 1222 CB ASP A 85 88.833 -6.431 5.099 1.00 0.00 C ATOM 1223 CG ASP A 85 87.492 -5.751 5.362 1.00 0.00 C ATOM 1224 OD1 ASP A 85 86.510 -6.151 4.758 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.467 -4.830 6.160 1.00 0.00 O ATOM 0 H ASP A 85 90.444 -8.499 5.381 1.00 0.00 H new ATOM 0 HA ASP A 85 87.612 -8.127 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.393 -6.500 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 85 89.423 -5.818 4.418 1.00 0.00 H new ATOM 1230 N GLU A 86 90.303 -8.164 2.724 1.00 0.00 N ATOM 1231 CA GLU A 86 90.750 -8.212 1.335 1.00 0.00 C ATOM 1232 C GLU A 86 89.649 -8.729 0.415 1.00 0.00 C ATOM 1233 O GLU A 86 89.360 -9.925 0.413 1.00 0.00 O ATOM 1234 CB GLU A 86 91.955 -9.146 1.213 1.00 0.00 C ATOM 1235 CG GLU A 86 92.557 -9.040 -0.191 1.00 0.00 C ATOM 1236 CD GLU A 86 93.597 -10.138 -0.387 1.00 0.00 C ATOM 1237 OE1 GLU A 86 93.486 -11.150 0.284 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.373 -10.023 -1.321 1.00 0.00 O ATOM 0 H GLU A 86 91.020 -8.393 3.412 1.00 0.00 H new ATOM 0 HA GLU A 86 91.016 -7.197 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.705 -8.886 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.651 -10.174 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 86 91.772 -9.131 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.017 -8.061 -0.327 1.00 0.00 H new ATOM 1245 N ALA A 87 89.095 -7.841 -0.404 1.00 0.00 N ATOM 1246 CA ALA A 87 88.026 -8.223 -1.318 1.00 0.00 C ATOM 1247 C ALA A 87 87.448 -6.998 -2.018 1.00 0.00 C ATOM 1248 O ALA A 87 88.026 -5.912 -1.964 1.00 0.00 O ATOM 1249 CB ALA A 87 86.925 -8.945 -0.538 1.00 0.00 C ATOM 0 H ALA A 87 89.366 -6.859 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 87 88.435 -8.889 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.124 -9.232 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.338 -9.837 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.528 -8.281 0.230 1.00 0.00 H new ATOM 1255 N ASP A 88 86.372 -7.204 -2.772 1.00 0.00 N ATOM 1256 CA ASP A 88 85.748 -6.118 -3.521 1.00 0.00 C ATOM 1257 C ASP A 88 84.627 -5.475 -2.711 1.00 0.00 C ATOM 1258 O ASP A 88 83.923 -6.145 -1.957 1.00 0.00 O ATOM 1259 CB ASP A 88 85.200 -6.644 -4.851 1.00 0.00 C ATOM 1260 CG ASP A 88 86.341 -7.207 -5.693 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.434 -6.673 -5.607 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.100 -8.152 -6.426 1.00 0.00 O ATOM 0 H ASP A 88 85.915 -8.110 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 88 86.505 -5.360 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.455 -7.418 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.699 -5.841 -5.391 1.00 0.00 H new ATOM 1267 N TYR A 89 84.383 -4.196 -2.979 1.00 0.00 N ATOM 1268 CA TYR A 89 83.324 -3.447 -2.310 1.00 0.00 C ATOM 1269 C TYR A 89 82.303 -2.976 -3.341 1.00 0.00 C ATOM 1270 O TYR A 89 82.662 -2.346 -4.336 1.00 0.00 O ATOM 1271 CB TYR A 89 83.921 -2.233 -1.590 1.00 0.00 C ATOM 1272 CG TYR A 89 84.531 -2.657 -0.274 1.00 0.00 C ATOM 1273 CD1 TYR A 89 85.694 -3.437 -0.260 1.00 0.00 C ATOM 1274 CD2 TYR A 89 83.963 -2.231 0.933 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.283 -3.795 0.959 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.525 -2.626 2.152 1.00 0.00 C ATOM 1277 CZ TYR A 89 85.684 -3.411 2.164 1.00 0.00 C ATOM 1278 OH TYR A 89 86.245 -3.797 3.364 1.00 0.00 O ATOM 0 H TYR A 89 84.910 -3.652 -3.662 1.00 0.00 H new ATOM 0 HA TYR A 89 82.834 -4.092 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.680 -1.765 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.146 -1.486 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.137 -3.763 -1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.089 -1.596 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.199 -4.367 0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.065 -2.326 3.082 1.00 0.00 H new ATOM 0 HH TYR A 89 86.020 -4.734 3.544 1.00 0.00 H new ATOM 1288 N TYR A 90 81.024 -3.175 -3.035 1.00 0.00 N ATOM 1289 CA TYR A 90 79.940 -2.744 -3.913 1.00 0.00 C ATOM 1290 C TYR A 90 79.058 -1.728 -3.190 1.00 0.00 C ATOM 1291 O TYR A 90 78.997 -1.719 -1.960 1.00 0.00 O ATOM 1292 CB TYR A 90 79.123 -3.970 -4.340 1.00 0.00 C ATOM 1293 CG TYR A 90 79.699 -4.585 -5.596 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.750 -5.508 -5.519 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.170 -4.232 -6.843 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.298 -6.040 -6.693 1.00 0.00 C ATOM 1297 CE2 TYR A 90 79.713 -4.768 -8.016 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.765 -5.688 -7.939 1.00 0.00 C ATOM 1299 OH TYR A 90 81.301 -6.217 -9.096 1.00 0.00 O ATOM 0 H TYR A 90 80.711 -3.635 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 90 80.350 -2.265 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.118 -4.707 -3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.087 -3.680 -4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.137 -5.809 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.340 -3.544 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.133 -6.723 -6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 90 79.321 -4.473 -8.978 1.00 0.00 H new ATOM 0 HH TYR A 90 80.813 -5.869 -9.871 1.00 0.00 H new ATOM 1309 N CYS A 91 78.420 -0.842 -3.954 1.00 0.00 N ATOM 1310 CA CYS A 91 77.546 0.195 -3.406 1.00 0.00 C ATOM 1311 C CYS A 91 76.149 -0.005 -4.002 1.00 0.00 C ATOM 1312 O CYS A 91 76.023 -0.458 -5.140 1.00 0.00 O ATOM 1313 CB CYS A 91 78.065 1.604 -3.756 1.00 0.00 C ATOM 1314 SG CYS A 91 79.627 2.059 -2.936 1.00 0.00 S ATOM 0 H CYS A 91 78.495 -0.823 -4.971 1.00 0.00 H new ATOM 0 HA CYS A 91 77.522 0.113 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.204 1.669 -4.835 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.302 2.335 -3.488 1.00 0.00 H new ATOM 1319 N GLN A 92 75.094 0.211 -3.217 1.00 0.00 N ATOM 1320 CA GLN A 92 73.724 0.110 -3.722 1.00 0.00 C ATOM 1321 C GLN A 92 72.931 1.368 -3.383 1.00 0.00 C ATOM 1322 O GLN A 92 72.954 1.823 -2.240 1.00 0.00 O ATOM 1323 CB GLN A 92 73.000 -1.101 -3.124 1.00 0.00 C ATOM 1324 CG GLN A 92 73.690 -2.407 -3.540 1.00 0.00 C ATOM 1325 CD GLN A 92 72.686 -3.554 -3.627 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.214 -3.884 -4.715 1.00 0.00 O ATOM 1327 NE2 GLN A 92 72.315 -4.175 -2.541 1.00 0.00 N ATOM 0 H GLN A 92 75.161 0.457 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 92 73.788 -0.007 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.986 -1.022 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 92 71.962 -1.111 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.178 -2.273 -4.505 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.470 -2.656 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.705 -3.902 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 92 71.635 -4.933 -2.594 1.00 0.00 H new ATOM 1336 N SER A 93 72.153 1.870 -4.339 1.00 0.00 N ATOM 1337 CA SER A 93 71.377 3.092 -4.140 1.00 0.00 C ATOM 1338 C SER A 93 69.962 2.930 -4.688 1.00 0.00 C ATOM 1339 O SER A 93 69.691 2.011 -5.461 1.00 0.00 O ATOM 1340 CB SER A 93 72.057 4.266 -4.849 1.00 0.00 C ATOM 1341 OG SER A 93 72.175 3.980 -6.235 1.00 0.00 O ATOM 0 H SER A 93 72.043 1.448 -5.261 1.00 0.00 H new ATOM 0 HA SER A 93 71.323 3.288 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.477 5.177 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.043 4.443 -4.418 1.00 0.00 H new ATOM 0 HG SER A 93 72.124 4.814 -6.747 1.00 0.00 H new ATOM 1347 N TYR A 94 69.061 3.826 -4.290 1.00 0.00 N ATOM 1348 CA TYR A 94 67.668 3.775 -4.728 1.00 0.00 C ATOM 1349 C TYR A 94 67.271 5.083 -5.404 1.00 0.00 C ATOM 1350 O TYR A 94 67.820 6.142 -5.099 1.00 0.00 O ATOM 1351 CB TYR A 94 66.753 3.534 -3.524 1.00 0.00 C ATOM 1352 CG TYR A 94 66.883 2.100 -3.064 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.031 1.691 -2.376 1.00 0.00 C ATOM 1354 CD2 TYR A 94 65.864 1.178 -3.333 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.147 0.369 -1.929 1.00 0.00 C ATOM 1356 CE2 TYR A 94 66.012 -0.161 -2.951 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.131 -0.553 -2.206 1.00 0.00 C ATOM 1358 OH TYR A 94 67.259 -1.865 -1.799 1.00 0.00 O ATOM 0 H TYR A 94 69.273 4.601 -3.661 1.00 0.00 H new ATOM 0 HA TYR A 94 67.562 2.958 -5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.018 4.212 -2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.718 3.747 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 94 68.828 2.396 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 94 64.964 1.500 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 94 69.019 0.061 -1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 94 65.265 -0.889 -3.230 1.00 0.00 H new ATOM 0 HH TYR A 94 66.465 -2.371 -2.070 1.00 0.00 H new ATOM 1368 N ASP A 95 66.328 4.999 -6.339 1.00 0.00 N ATOM 1369 CA ASP A 95 65.850 6.173 -7.065 1.00 0.00 C ATOM 1370 C ASP A 95 64.424 6.513 -6.641 1.00 0.00 C ATOM 1371 O ASP A 95 63.884 5.917 -5.708 1.00 0.00 O ATOM 1372 CB ASP A 95 65.914 5.897 -8.572 1.00 0.00 C ATOM 1373 CG ASP A 95 66.232 7.169 -9.352 1.00 0.00 C ATOM 1374 OD1 ASP A 95 65.473 8.118 -9.237 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.289 7.216 -9.959 1.00 0.00 O ATOM 0 H ASP A 95 65.878 4.126 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 95 66.485 7.028 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 95 66.675 5.143 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 95 64.962 5.488 -8.910 1.00 0.00 H new ATOM 1380 N SER A 96 63.811 7.460 -7.344 1.00 0.00 N ATOM 1381 CA SER A 96 62.442 7.861 -7.041 1.00 0.00 C ATOM 1382 C SER A 96 61.462 6.755 -7.423 1.00 0.00 C ATOM 1383 O SER A 96 60.279 6.822 -7.089 1.00 0.00 O ATOM 1384 CB SER A 96 62.102 9.152 -7.792 1.00 0.00 C ATOM 1385 OG SER A 96 60.740 9.136 -8.193 1.00 0.00 O ATOM 0 H SER A 96 64.238 7.961 -8.123 1.00 0.00 H new ATOM 0 HA SER A 96 62.358 8.038 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.292 10.015 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 96 62.746 9.255 -8.666 1.00 0.00 H new ATOM 0 HG SER A 96 60.232 8.540 -7.603 1.00 0.00 H new ATOM 1391 N SER A 97 61.936 5.789 -8.204 1.00 0.00 N ATOM 1392 CA SER A 97 61.097 4.681 -8.650 1.00 0.00 C ATOM 1393 C SER A 97 61.195 3.510 -7.677 1.00 0.00 C ATOM 1394 O SER A 97 60.691 2.421 -7.951 1.00 0.00 O ATOM 1395 CB SER A 97 61.533 4.240 -10.050 1.00 0.00 C ATOM 1396 OG SER A 97 62.950 4.270 -10.130 1.00 0.00 O ATOM 0 H SER A 97 62.898 5.751 -8.542 1.00 0.00 H new ATOM 0 HA SER A 97 60.060 5.014 -8.683 1.00 0.00 H new ATOM 0 HB2 SER A 97 61.167 3.235 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.101 4.899 -10.803 1.00 0.00 H new ATOM 0 HG SER A 97 63.233 3.987 -11.024 1.00 0.00 H new ATOM 1402 N ASN A 98 61.872 3.727 -6.555 1.00 0.00 N ATOM 1403 CA ASN A 98 62.037 2.675 -5.559 1.00 0.00 C ATOM 1404 C ASN A 98 62.713 1.451 -6.168 1.00 0.00 C ATOM 1405 O ASN A 98 62.337 0.316 -5.876 1.00 0.00 O ATOM 1406 CB ASN A 98 60.677 2.267 -4.989 1.00 0.00 C ATOM 1407 CG ASN A 98 59.907 3.501 -4.530 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.385 4.625 -4.683 1.00 0.00 O ATOM 1409 ND2 ASN A 98 58.746 3.357 -3.953 1.00 0.00 N ATOM 0 H ASN A 98 62.312 4.615 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 98 62.666 3.067 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.103 1.732 -5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.816 1.583 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 98 58.233 4.176 -3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 98 58.351 2.425 -3.827 1.00 0.00 H new ATOM 1416 N HIS A 99 63.711 1.686 -7.016 1.00 0.00 N ATOM 1417 CA HIS A 99 64.440 0.603 -7.669 1.00 0.00 C ATOM 1418 C HIS A 99 65.881 0.563 -7.171 1.00 0.00 C ATOM 1419 O HIS A 99 66.571 1.582 -7.134 1.00 0.00 O ATOM 1420 CB HIS A 99 64.419 0.823 -9.184 1.00 0.00 C ATOM 1421 CG HIS A 99 63.092 0.393 -9.750 1.00 0.00 C ATOM 1422 ND1 HIS A 99 61.903 0.557 -9.059 1.00 0.00 N ATOM 1423 CD2 HIS A 99 62.757 -0.240 -10.923 1.00 0.00 C ATOM 1424 CE1 HIS A 99 60.914 0.065 -9.826 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.379 -0.445 -10.968 1.00 0.00 N ATOM 0 H HIS A 99 64.034 2.620 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 99 63.963 -0.347 -7.431 1.00 0.00 H new ATOM 0 HB2 HIS A 99 64.596 1.875 -9.409 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.224 0.257 -9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.455 -0.534 -11.693 1.00 0.00 H new ATOM 0 HE1 HIS A 99 59.870 0.081 -9.551 1.00 0.00 H new ATOM 0 HE2 HIS A 99 60.842 -0.889 -11.713 1.00 0.00 H new ATOM 1433 N VAL A 100 66.324 -0.626 -6.778 1.00 0.00 N ATOM 1434 CA VAL A 100 67.689 -0.806 -6.297 1.00 0.00 C ATOM 1435 C VAL A 100 68.678 -0.743 -7.457 1.00 0.00 C ATOM 1436 O VAL A 100 68.601 -1.536 -8.396 1.00 0.00 O ATOM 1437 CB VAL A 100 67.793 -2.142 -5.554 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.017 -3.219 -6.317 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.256 -2.567 -5.395 1.00 0.00 C ATOM 0 H VAL A 100 65.761 -1.476 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 100 67.940 -0.000 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 100 67.363 -2.019 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.093 -4.168 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 100 65.969 -2.928 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.435 -3.329 -7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.303 -3.518 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.712 -2.677 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.796 -1.808 -4.828 1.00 0.00 H new ATOM 1449 N VAL A 101 69.658 0.149 -7.347 1.00 0.00 N ATOM 1450 CA VAL A 101 70.702 0.285 -8.359 1.00 0.00 C ATOM 1451 C VAL A 101 72.059 -0.058 -7.753 1.00 0.00 C ATOM 1452 O VAL A 101 72.286 0.167 -6.565 1.00 0.00 O ATOM 1453 CB VAL A 101 70.709 1.723 -8.889 1.00 0.00 C ATOM 1454 CG1 VAL A 101 71.984 1.984 -9.694 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.486 1.954 -9.781 1.00 0.00 C ATOM 0 H VAL A 101 69.751 0.793 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 101 70.504 -0.401 -9.182 1.00 0.00 H new ATOM 0 HB VAL A 101 70.676 2.408 -8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 101 71.977 3.009 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 101 72.855 1.836 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.030 1.294 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.496 2.978 -10.155 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.513 1.261 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.577 1.788 -9.202 1.00 0.00 H new ATOM 1465 N PHE A 102 72.944 -0.630 -8.566 1.00 0.00 N ATOM 1466 CA PHE A 102 74.275 -1.028 -8.113 1.00 0.00 C ATOM 1467 C PHE A 102 75.350 -0.222 -8.837 1.00 0.00 C ATOM 1468 O PHE A 102 75.137 0.265 -9.948 1.00 0.00 O ATOM 1469 CB PHE A 102 74.479 -2.526 -8.366 1.00 0.00 C ATOM 1470 CG PHE A 102 73.779 -2.921 -9.645 1.00 0.00 C ATOM 1471 CD1 PHE A 102 74.298 -2.511 -10.879 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.604 -3.680 -9.596 1.00 0.00 C ATOM 1473 CE1 PHE A 102 73.654 -2.882 -12.066 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.950 -4.033 -10.782 1.00 0.00 C ATOM 1475 CZ PHE A 102 72.468 -3.624 -12.017 1.00 0.00 C ATOM 0 H PHE A 102 72.761 -0.830 -9.549 1.00 0.00 H new ATOM 0 HA PHE A 102 74.358 -0.829 -7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.543 -2.752 -8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 102 74.085 -3.104 -7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 102 75.194 -1.909 -10.915 1.00 0.00 H new ATOM 0 HD2 PHE A 102 72.202 -3.993 -8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 102 74.073 -2.596 -13.020 1.00 0.00 H new ATOM 0 HE2 PHE A 102 71.045 -4.621 -10.745 1.00 0.00 H new ATOM 0 HZ PHE A 102 71.953 -3.881 -12.931 1.00 0.00 H new ATOM 1485 N GLY A 103 76.496 -0.060 -8.182 1.00 0.00 N ATOM 1486 CA GLY A 103 77.615 0.683 -8.754 1.00 0.00 C ATOM 1487 C GLY A 103 78.663 -0.264 -9.329 1.00 0.00 C ATOM 1488 O GLY A 103 78.583 -1.478 -9.146 1.00 0.00 O ATOM 0 H GLY A 103 76.675 -0.435 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.252 1.348 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.069 1.311 -7.987 1.00 0.00 H new ATOM 1492 N GLY A 104 79.680 0.305 -9.968 1.00 0.00 N ATOM 1493 CA GLY A 104 80.750 -0.500 -10.545 1.00 0.00 C ATOM 1494 C GLY A 104 81.497 -1.271 -9.463 1.00 0.00 C ATOM 1495 O GLY A 104 81.936 -2.400 -9.683 1.00 0.00 O ATOM 0 H GLY A 104 79.786 1.311 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.334 -1.197 -11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.445 0.144 -11.083 1.00 0.00 H new ATOM 1499 N GLY A 105 81.628 -0.661 -8.288 1.00 0.00 N ATOM 1500 CA GLY A 105 82.310 -1.298 -7.167 1.00 0.00 C ATOM 1501 C GLY A 105 83.785 -0.910 -7.142 1.00 0.00 C ATOM 1502 O GLY A 105 84.343 -0.487 -8.154 1.00 0.00 O ATOM 0 H GLY A 105 81.271 0.273 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.835 -1.003 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.215 -2.381 -7.245 1.00 0.00 H new ATOM 1506 N THR A 106 84.408 -1.046 -5.975 1.00 0.00 N ATOM 1507 CA THR A 106 85.820 -0.714 -5.810 1.00 0.00 C ATOM 1508 C THR A 106 86.583 -1.901 -5.234 1.00 0.00 C ATOM 1509 O THR A 106 86.161 -2.507 -4.249 1.00 0.00 O ATOM 1510 CB THR A 106 85.971 0.487 -4.872 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.282 1.596 -5.432 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.448 0.860 -4.687 1.00 0.00 C ATOM 0 H THR A 106 83.955 -1.385 -5.126 1.00 0.00 H new ATOM 0 HA THR A 106 86.231 -0.466 -6.789 1.00 0.00 H new ATOM 0 HB THR A 106 85.555 0.224 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.708 1.853 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.526 1.716 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.986 0.014 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 106 87.883 1.116 -5.653 1.00 0.00 H new ATOM 1520 N LYS A 107 87.712 -2.226 -5.855 1.00 0.00 N ATOM 1521 CA LYS A 107 88.554 -3.316 -5.377 1.00 0.00 C ATOM 1522 C LYS A 107 89.433 -2.845 -4.225 1.00 0.00 C ATOM 1523 O LYS A 107 90.219 -1.910 -4.375 1.00 0.00 O ATOM 1524 CB LYS A 107 89.417 -3.847 -6.525 1.00 0.00 C ATOM 1525 CG LYS A 107 90.429 -4.868 -5.999 1.00 0.00 C ATOM 1526 CD LYS A 107 91.132 -5.550 -7.175 1.00 0.00 C ATOM 1527 CE LYS A 107 92.216 -6.486 -6.638 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.900 -7.160 -7.777 1.00 0.00 N ATOM 0 H LYS A 107 88.064 -1.752 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 107 87.916 -4.121 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.783 -4.309 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 107 89.940 -3.022 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.162 -4.373 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.923 -5.612 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.411 -6.112 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.574 -4.802 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.939 -5.922 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.774 -7.229 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.637 -7.796 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.206 -7.711 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.335 -6.444 -8.393 1.00 0.00 H new ATOM 1542 N LEU A 108 89.382 -3.568 -3.110 1.00 0.00 N ATOM 1543 CA LEU A 108 90.243 -3.297 -1.967 1.00 0.00 C ATOM 1544 C LEU A 108 91.251 -4.431 -1.816 1.00 0.00 C ATOM 1545 O LEU A 108 90.866 -5.591 -1.662 1.00 0.00 O ATOM 1546 CB LEU A 108 89.375 -3.189 -0.710 1.00 0.00 C ATOM 1547 CG LEU A 108 90.238 -3.103 0.554 1.00 0.00 C ATOM 1548 CD1 LEU A 108 91.236 -1.953 0.404 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.359 -2.887 1.792 1.00 0.00 C ATOM 0 H LEU A 108 88.746 -4.354 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 108 90.784 -2.362 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.738 -2.307 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.715 -4.054 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 108 90.780 -4.040 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.853 -1.887 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.873 -2.134 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 108 90.695 -1.017 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.989 -2.828 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.799 -1.959 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.664 -3.720 1.895 1.00 0.00 H new ATOM 1561 N THR A 109 92.528 -4.078 -1.708 1.00 0.00 N ATOM 1562 CA THR A 109 93.583 -5.071 -1.526 1.00 0.00 C ATOM 1563 C THR A 109 94.333 -4.810 -0.224 1.00 0.00 C ATOM 1564 O THR A 109 94.750 -3.688 0.058 1.00 0.00 O ATOM 1565 CB THR A 109 94.558 -5.007 -2.705 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.896 -5.431 -3.888 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.753 -5.924 -2.436 1.00 0.00 C ATOM 0 H THR A 109 92.858 -3.113 -1.743 1.00 0.00 H new ATOM 0 HA THR A 109 93.132 -6.062 -1.481 1.00 0.00 H new ATOM 0 HB THR A 109 94.909 -3.982 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.518 -5.389 -4.644 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.445 -5.876 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.262 -5.601 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.404 -6.949 -2.311 1.00 0.00 H new ATOM 1575 N VAL A 110 94.540 -5.866 0.557 1.00 0.00 N ATOM 1576 CA VAL A 110 95.229 -5.750 1.839 1.00 0.00 C ATOM 1577 C VAL A 110 96.569 -6.477 1.774 1.00 0.00 C ATOM 1578 O VAL A 110 96.648 -7.604 1.285 1.00 0.00 O ATOM 1579 CB VAL A 110 94.380 -6.358 2.957 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.074 -6.110 4.299 1.00 0.00 C ATOM 1581 CG2 VAL A 110 92.981 -5.731 2.976 1.00 0.00 C ATOM 0 H VAL A 110 94.240 -6.813 0.325 1.00 0.00 H new ATOM 0 HA VAL A 110 95.394 -4.693 2.049 1.00 0.00 H new ATOM 0 HB VAL A 110 94.274 -7.429 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.476 -6.540 5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.059 -6.576 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.181 -5.037 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.393 -6.177 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.066 -4.657 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.488 -5.912 2.021 1.00 0.00 H new ATOM 1591 N LEU A 111 97.623 -5.809 2.233 1.00 0.00 N ATOM 1592 CA LEU A 111 98.973 -6.360 2.165 1.00 0.00 C ATOM 1593 C LEU A 111 99.413 -6.825 3.549 1.00 0.00 C ATOM 1594 O LEU A 111 99.117 -7.953 3.890 1.00 0.00 O ATOM 1595 CB LEU A 111 99.955 -5.305 1.646 1.00 0.00 C ATOM 1596 CG LEU A 111 99.414 -4.625 0.383 1.00 0.00 C ATOM 1597 CD1 LEU A 111 100.150 -3.303 0.160 1.00 0.00 C ATOM 1598 CD2 LEU A 111 99.631 -5.522 -0.838 1.00 0.00 C ATOM 1599 OXT LEU A 111 99.976 -6.014 4.266 1.00 0.00 O ATOM 0 H LEU A 111 97.568 -4.883 2.657 1.00 0.00 H new ATOM 0 HA LEU A 111 98.968 -7.208 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.132 -4.557 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.915 -5.773 1.429 1.00 0.00 H new ATOM 0 HG LEU A 111 98.347 -4.444 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.765 -2.819 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.994 -2.650 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 111 101.216 -3.496 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.242 -5.026 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.697 -5.712 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.109 -6.468 -0.692 1.00 0.00 H new TER 1611 LEU A 111