USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 878 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 96 THR OG1 : rot 170:sc= 0.182 USER MOD Set 1.2: A 99 SER OG : rot -50:sc= 0.149 USER MOD Set 2.1: A 87 HIS : no HE2:sc= -0.295 K(o=2.8,f=1.7) USER MOD Set 2.2: A 91 THR OG1 : rot -90:sc= 2.1 USER MOD Set 2.3: A 93 GLN : amide:sc= 1.01 K(o=2.8,f=1.4) USER MOD Set 3.1: A 52 SER OG : rot -118:sc= 1.99 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.927 K(o=2.9,f=-4.9!) USER MOD Set 4.1: A 43 SER OG : rot 27:sc= 0.381 USER MOD Set 4.2: A 44 GLN : amide:sc= 1.43 K(o=1.8,f=-5.7!) USER MOD Set 5.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 49 TYR OH : rot 180:sc= -0.0575 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0178 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00222 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 0.871 (180deg=0.249) USER MOD Single : A 14 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.67) USER MOD Single : A 16 GLN : amide:sc= -0.0211 K(o=-0.021,f=-0.87) USER MOD Single : A 20 HIS :FLIP no HE2:sc= -4.36! C(o=-5.5!,f=-4.4!) USER MOD Single : A 34 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.031) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 66 SER OG : rot 129:sc= 0.174 USER MOD Single : A 69 ASN : amide:sc= -0.345 K(o=-0.34,f=-1) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.31 K(o=1.3,f=-0.17) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -0.0137 X(o=-0.014,f=-0.32) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 20:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.193 2.615 23.164 1.00 0.00 N ATOM 2 CA GLY A 1 19.406 1.961 22.112 1.00 0.00 C ATOM 3 C GLY A 1 20.056 2.115 20.748 1.00 0.00 C ATOM 4 O GLY A 1 21.286 2.086 20.634 1.00 0.00 O ATOM 0 H1 GLY A 1 20.265 1.983 23.987 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.146 2.825 22.805 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.726 3.500 23.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.295 0.902 22.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.404 2.389 22.088 1.00 0.00 H new ATOM 8 N SER A 2 19.251 2.286 19.699 1.00 0.00 N ATOM 9 CA SER A 2 19.724 2.434 18.331 1.00 0.00 C ATOM 10 C SER A 2 18.853 3.414 17.539 1.00 0.00 C ATOM 11 O SER A 2 17.779 3.823 17.983 1.00 0.00 O ATOM 12 CB SER A 2 19.724 1.034 17.702 1.00 0.00 C ATOM 13 OG SER A 2 20.350 1.028 16.438 1.00 0.00 O ATOM 0 H SER A 2 18.235 2.326 19.782 1.00 0.00 H new ATOM 0 HA SER A 2 20.729 2.855 18.316 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.237 0.338 18.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.698 0.681 17.601 1.00 0.00 H new ATOM 0 HG SER A 2 20.333 0.120 16.069 1.00 0.00 H new ATOM 19 N SER A 3 19.360 3.791 16.369 1.00 0.00 N ATOM 20 CA SER A 3 18.825 4.681 15.353 1.00 0.00 C ATOM 21 C SER A 3 19.695 4.434 14.101 1.00 0.00 C ATOM 22 O SER A 3 20.668 3.671 14.178 1.00 0.00 O ATOM 23 CB SER A 3 18.933 6.127 15.861 1.00 0.00 C ATOM 24 OG SER A 3 18.111 7.006 15.124 1.00 0.00 O ATOM 0 H SER A 3 20.270 3.432 16.079 1.00 0.00 H new ATOM 0 HA SER A 3 17.774 4.504 15.123 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.652 6.164 16.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.969 6.458 15.796 1.00 0.00 H new ATOM 0 HG SER A 3 18.205 7.915 15.477 1.00 0.00 H new ATOM 30 N GLY A 4 19.375 5.042 12.953 1.00 0.00 N ATOM 31 CA GLY A 4 20.156 4.868 11.732 1.00 0.00 C ATOM 32 C GLY A 4 19.319 4.896 10.459 1.00 0.00 C ATOM 33 O GLY A 4 19.422 3.976 9.653 1.00 0.00 O ATOM 0 H GLY A 4 18.573 5.663 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.909 5.654 11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.689 3.919 11.785 1.00 0.00 H new ATOM 37 N SER A 5 18.466 5.900 10.264 1.00 0.00 N ATOM 38 CA SER A 5 17.630 6.031 9.071 1.00 0.00 C ATOM 39 C SER A 5 17.700 7.483 8.584 1.00 0.00 C ATOM 40 O SER A 5 18.213 8.354 9.296 1.00 0.00 O ATOM 41 CB SER A 5 16.188 5.591 9.351 1.00 0.00 C ATOM 42 OG SER A 5 16.092 4.511 10.273 1.00 0.00 O ATOM 0 H SER A 5 18.334 6.654 10.938 1.00 0.00 H new ATOM 0 HA SER A 5 18.003 5.373 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.626 6.441 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.717 5.300 8.412 1.00 0.00 H new ATOM 0 HG SER A 5 15.149 4.280 10.409 1.00 0.00 H new ATOM 48 N SER A 6 17.225 7.761 7.372 1.00 0.00 N ATOM 49 CA SER A 6 17.224 9.085 6.763 1.00 0.00 C ATOM 50 C SER A 6 15.817 9.352 6.236 1.00 0.00 C ATOM 51 O SER A 6 15.507 8.973 5.108 1.00 0.00 O ATOM 52 CB SER A 6 18.284 9.171 5.651 1.00 0.00 C ATOM 53 OG SER A 6 19.607 9.093 6.160 1.00 0.00 O ATOM 0 H SER A 6 16.817 7.046 6.769 1.00 0.00 H new ATOM 0 HA SER A 6 17.486 9.848 7.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.124 8.364 4.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.161 10.107 5.107 1.00 0.00 H new ATOM 0 HG SER A 6 20.246 9.150 5.419 1.00 0.00 H new ATOM 59 N GLY A 7 14.976 9.972 7.070 1.00 0.00 N ATOM 60 CA GLY A 7 13.593 10.341 6.788 1.00 0.00 C ATOM 61 C GLY A 7 12.851 9.254 6.025 1.00 0.00 C ATOM 62 O GLY A 7 12.504 9.462 4.867 1.00 0.00 O ATOM 0 H GLY A 7 15.262 10.243 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.075 10.543 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.576 11.265 6.209 1.00 0.00 H new ATOM 66 N GLU A 8 12.604 8.117 6.675 1.00 0.00 N ATOM 67 CA GLU A 8 11.919 6.949 6.117 1.00 0.00 C ATOM 68 C GLU A 8 10.601 7.344 5.431 1.00 0.00 C ATOM 69 O GLU A 8 10.376 6.983 4.276 1.00 0.00 O ATOM 70 CB GLU A 8 11.763 5.925 7.257 1.00 0.00 C ATOM 71 CG GLU A 8 11.438 4.491 6.808 1.00 0.00 C ATOM 72 CD GLU A 8 9.949 4.174 6.620 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.109 4.711 7.378 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.659 3.286 5.784 1.00 0.00 O ATOM 0 H GLU A 8 12.887 7.978 7.645 1.00 0.00 H new ATOM 0 HA GLU A 8 12.500 6.488 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.686 5.907 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.973 6.267 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.953 4.299 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.848 3.798 7.543 1.00 0.00 H new ATOM 81 N VAL A 9 9.781 8.167 6.088 1.00 0.00 N ATOM 82 CA VAL A 9 8.500 8.642 5.561 1.00 0.00 C ATOM 83 C VAL A 9 8.673 9.641 4.398 1.00 0.00 C ATOM 84 O VAL A 9 7.703 9.969 3.713 1.00 0.00 O ATOM 85 CB VAL A 9 7.676 9.196 6.744 1.00 0.00 C ATOM 86 CG1 VAL A 9 8.284 10.462 7.366 1.00 0.00 C ATOM 87 CG2 VAL A 9 6.202 9.441 6.394 1.00 0.00 C ATOM 0 H VAL A 9 9.993 8.529 7.018 1.00 0.00 H new ATOM 0 HA VAL A 9 7.950 7.816 5.110 1.00 0.00 H new ATOM 0 HB VAL A 9 7.715 8.403 7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.657 10.799 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.284 10.240 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.343 11.246 6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.680 9.830 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.136 10.164 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.741 8.503 6.084 1.00 0.00 H new ATOM 97 N GLN A 10 9.881 10.179 4.188 1.00 0.00 N ATOM 98 CA GLN A 10 10.185 11.122 3.115 1.00 0.00 C ATOM 99 C GLN A 10 10.686 10.372 1.868 1.00 0.00 C ATOM 100 O GLN A 10 10.693 10.958 0.779 1.00 0.00 O ATOM 101 CB GLN A 10 11.276 12.138 3.526 1.00 0.00 C ATOM 102 CG GLN A 10 11.206 12.758 4.934 1.00 0.00 C ATOM 103 CD GLN A 10 10.037 13.714 5.179 1.00 0.00 C ATOM 104 OE1 GLN A 10 9.588 14.443 4.293 1.00 0.00 O ATOM 105 NE2 GLN A 10 9.548 13.750 6.403 1.00 0.00 N ATOM 0 H GLN A 10 10.688 9.964 4.774 1.00 0.00 H new ATOM 0 HA GLN A 10 9.260 11.657 2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.243 11.645 3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.260 12.953 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.151 11.951 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.136 13.295 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.932 13.139 7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.786 14.389 6.629 1.00 0.00 H new ATOM 114 N LYS A 11 11.139 9.118 2.012 1.00 0.00 N ATOM 115 CA LYS A 11 11.658 8.295 0.918 1.00 0.00 C ATOM 116 C LYS A 11 10.599 8.124 -0.177 1.00 0.00 C ATOM 117 O LYS A 11 9.411 8.057 0.145 1.00 0.00 O ATOM 118 CB LYS A 11 12.044 6.901 1.443 1.00 0.00 C ATOM 119 CG LYS A 11 13.202 6.867 2.458 1.00 0.00 C ATOM 120 CD LYS A 11 13.335 5.496 3.150 1.00 0.00 C ATOM 121 CE LYS A 11 13.608 4.413 2.120 1.00 0.00 C ATOM 122 NZ LYS A 11 13.691 3.049 2.673 1.00 0.00 N ATOM 0 H LYS A 11 11.154 8.641 2.913 1.00 0.00 H new ATOM 0 HA LYS A 11 12.533 8.797 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.166 6.451 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.312 6.274 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.135 7.106 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.044 7.638 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.144 5.526 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.420 5.266 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.820 4.439 1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.544 4.642 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.358 2.366 1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.678 2.835 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.096 2.982 3.523 1.00 0.00 H new ATOM 136 N PRO A 12 10.990 8.026 -1.459 1.00 0.00 N ATOM 137 CA PRO A 12 10.042 7.840 -2.545 1.00 0.00 C ATOM 138 C PRO A 12 9.524 6.403 -2.492 1.00 0.00 C ATOM 139 O PRO A 12 10.086 5.551 -1.800 1.00 0.00 O ATOM 140 CB PRO A 12 10.832 8.140 -3.818 1.00 0.00 C ATOM 141 CG PRO A 12 12.246 7.696 -3.458 1.00 0.00 C ATOM 142 CD PRO A 12 12.349 8.077 -1.977 1.00 0.00 C ATOM 0 HA PRO A 12 9.168 8.489 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.442 7.589 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.795 9.198 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.387 6.626 -3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.997 8.206 -4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.998 7.386 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.776 9.073 -1.858 1.00 0.00 H new ATOM 150 N LEU A 13 8.458 6.105 -3.239 1.00 0.00 N ATOM 151 CA LEU A 13 7.881 4.762 -3.257 1.00 0.00 C ATOM 152 C LEU A 13 8.883 3.710 -3.747 1.00 0.00 C ATOM 153 O LEU A 13 8.883 2.592 -3.240 1.00 0.00 O ATOM 154 CB LEU A 13 6.568 4.789 -4.057 1.00 0.00 C ATOM 155 CG LEU A 13 6.101 3.458 -4.676 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.618 3.576 -5.016 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.829 3.175 -5.996 1.00 0.00 C ATOM 0 H LEU A 13 7.978 6.777 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 13 7.642 4.454 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.778 5.153 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.675 5.518 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 13 6.305 2.662 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.270 2.641 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.052 3.783 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.471 4.389 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.479 2.229 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.624 3.978 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.902 3.116 -5.814 1.00 0.00 H new ATOM 169 N HIS A 14 9.775 4.064 -4.673 1.00 0.00 N ATOM 170 CA HIS A 14 10.772 3.155 -5.252 1.00 0.00 C ATOM 171 C HIS A 14 11.832 2.677 -4.244 1.00 0.00 C ATOM 172 O HIS A 14 12.646 1.813 -4.576 1.00 0.00 O ATOM 173 CB HIS A 14 11.448 3.805 -6.477 1.00 0.00 C ATOM 174 CG HIS A 14 10.702 4.971 -7.075 1.00 0.00 C ATOM 175 ND1 HIS A 14 11.108 6.277 -6.987 1.00 0.00 N ATOM 176 CD2 HIS A 14 9.472 4.950 -7.676 1.00 0.00 C ATOM 177 CE1 HIS A 14 10.141 7.042 -7.507 1.00 0.00 C ATOM 178 NE2 HIS A 14 9.100 6.283 -7.905 1.00 0.00 N ATOM 0 H HIS A 14 9.828 5.010 -5.051 1.00 0.00 H new ATOM 0 HA HIS A 14 10.226 2.265 -5.563 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.444 4.141 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.579 3.044 -7.247 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.896 4.072 -7.927 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.188 8.117 -7.596 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.217 6.613 -8.295 1.00 0.00 H new ATOM 186 N GLU A 15 11.840 3.231 -3.031 1.00 0.00 N ATOM 187 CA GLU A 15 12.766 2.916 -1.946 1.00 0.00 C ATOM 188 C GLU A 15 12.061 2.194 -0.791 1.00 0.00 C ATOM 189 O GLU A 15 12.659 1.956 0.262 1.00 0.00 O ATOM 190 CB GLU A 15 13.340 4.243 -1.439 1.00 0.00 C ATOM 191 CG GLU A 15 14.364 4.861 -2.388 1.00 0.00 C ATOM 192 CD GLU A 15 15.761 4.277 -2.193 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.257 4.270 -1.044 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.388 3.864 -3.196 1.00 0.00 O ATOM 0 H GLU A 15 11.165 3.949 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 15 13.547 2.252 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.524 4.949 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.807 4.081 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.046 4.699 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.398 5.939 -2.230 1.00 0.00 H new ATOM 201 N GLN A 16 10.778 1.879 -0.944 1.00 0.00 N ATOM 202 CA GLN A 16 9.977 1.220 0.079 1.00 0.00 C ATOM 203 C GLN A 16 10.034 -0.300 -0.019 1.00 0.00 C ATOM 204 O GLN A 16 9.985 -0.865 -1.111 1.00 0.00 O ATOM 205 CB GLN A 16 8.519 1.673 -0.044 1.00 0.00 C ATOM 206 CG GLN A 16 8.356 3.198 0.031 1.00 0.00 C ATOM 207 CD GLN A 16 8.711 3.804 1.386 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.847 3.096 2.377 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.893 5.110 1.475 1.00 0.00 N ATOM 0 H GLN A 16 10.258 2.079 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 16 10.393 1.504 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.112 1.316 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.933 1.211 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.983 3.656 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.324 3.453 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.780 5.698 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.147 5.530 2.369 1.00 0.00 H new ATOM 218 N LEU A 17 10.066 -0.960 1.140 1.00 0.00 N ATOM 219 CA LEU A 17 10.104 -2.417 1.271 1.00 0.00 C ATOM 220 C LEU A 17 8.872 -3.059 0.631 1.00 0.00 C ATOM 221 O LEU A 17 8.965 -4.140 0.056 1.00 0.00 O ATOM 222 CB LEU A 17 10.255 -2.845 2.752 1.00 0.00 C ATOM 223 CG LEU A 17 9.044 -2.642 3.698 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.332 -3.252 5.074 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.706 -1.161 3.924 1.00 0.00 C ATOM 0 H LEU A 17 10.066 -0.481 2.040 1.00 0.00 H new ATOM 0 HA LEU A 17 10.982 -2.776 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.517 -3.903 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.101 -2.301 3.172 1.00 0.00 H new ATOM 0 HG LEU A 17 8.202 -3.131 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.472 -3.101 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.522 -4.320 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.207 -2.770 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.850 -1.081 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.563 -0.656 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.464 -0.693 2.970 1.00 0.00 H new ATOM 237 N TRP A 18 7.730 -2.370 0.713 1.00 0.00 N ATOM 238 CA TRP A 18 6.452 -2.805 0.175 1.00 0.00 C ATOM 239 C TRP A 18 6.307 -2.545 -1.325 1.00 0.00 C ATOM 240 O TRP A 18 5.210 -2.717 -1.868 1.00 0.00 O ATOM 241 CB TRP A 18 5.326 -2.175 1.001 1.00 0.00 C ATOM 242 CG TRP A 18 5.416 -0.706 1.322 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.706 -0.190 2.537 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.186 0.453 0.461 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.649 1.186 2.500 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.253 1.632 1.261 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.907 0.635 -0.909 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.985 2.903 0.738 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.692 1.915 -1.450 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.699 3.047 -0.627 1.00 0.00 C ATOM 0 H TRP A 18 7.676 -1.462 1.174 1.00 0.00 H new ATOM 0 HA TRP A 18 6.391 -3.890 0.263 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.389 -2.343 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.260 -2.719 1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.948 -0.774 3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.871 1.794 3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.857 -0.228 -1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.999 3.769 1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.520 2.026 -2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.486 4.022 -1.039 1.00 0.00 H new ATOM 261 N TYR A 19 7.347 -2.060 -2.008 1.00 0.00 N ATOM 262 CA TYR A 19 7.299 -1.822 -3.438 1.00 0.00 C ATOM 263 C TYR A 19 7.793 -3.105 -4.118 1.00 0.00 C ATOM 264 O TYR A 19 8.985 -3.261 -4.368 1.00 0.00 O ATOM 265 CB TYR A 19 8.108 -0.571 -3.794 1.00 0.00 C ATOM 266 CG TYR A 19 8.025 -0.243 -5.267 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.760 -0.090 -5.856 1.00 0.00 C ATOM 268 CD2 TYR A 19 9.183 -0.158 -6.063 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.648 0.101 -7.241 1.00 0.00 C ATOM 270 CE2 TYR A 19 9.077 0.098 -7.444 1.00 0.00 C ATOM 271 CZ TYR A 19 7.800 0.213 -8.041 1.00 0.00 C ATOM 272 OH TYR A 19 7.634 0.426 -9.372 1.00 0.00 O ATOM 0 H TYR A 19 8.242 -1.824 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 19 6.290 -1.612 -3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.741 0.275 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.151 -0.722 -3.514 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.872 -0.119 -5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.156 -0.290 -5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.671 0.163 -7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.968 0.206 -8.045 1.00 0.00 H new ATOM 0 HH TYR A 19 8.511 0.485 -9.806 1.00 0.00 H new ATOM 282 N HIS A 20 6.871 -4.026 -4.422 1.00 0.00 N ATOM 283 CA HIS A 20 7.202 -5.321 -5.035 1.00 0.00 C ATOM 284 C HIS A 20 7.350 -5.368 -6.560 1.00 0.00 C ATOM 285 O HIS A 20 7.870 -6.354 -7.083 1.00 0.00 O ATOM 286 CB HIS A 20 6.120 -6.337 -4.659 1.00 0.00 C ATOM 287 CG HIS A 20 6.087 -6.634 -3.191 1.00 0.00 C ATOM 288 ND1 HIS A 20 5.514 -5.869 -2.221 1.00 0.00 N flip ATOM 289 CD2 HIS A 20 6.649 -7.722 -2.578 1.00 0.00 C flip ATOM 290 CE1 HIS A 20 5.716 -6.486 -0.996 1.00 0.00 C flip ATOM 291 NE2 HIS A 20 6.417 -7.595 -1.260 1.00 0.00 N flip ATOM 0 H HIS A 20 5.874 -3.896 -4.251 1.00 0.00 H new ATOM 0 HA HIS A 20 8.194 -5.542 -4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.147 -5.956 -4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.291 -7.263 -5.209 1.00 0.00 H new ATOM 0 HD1 HIS A 20 5.019 -4.990 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.178 -8.529 -3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.378 -6.143 -0.029 1.00 0.00 H new ATOM 299 N GLY A 21 6.928 -4.341 -7.281 1.00 0.00 N ATOM 300 CA GLY A 21 6.989 -4.293 -8.731 1.00 0.00 C ATOM 301 C GLY A 21 5.659 -4.787 -9.307 1.00 0.00 C ATOM 302 O GLY A 21 4.680 -4.974 -8.582 1.00 0.00 O ATOM 0 H GLY A 21 6.526 -3.501 -6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.188 -3.275 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.809 -4.913 -9.093 1.00 0.00 H new ATOM 306 N ALA A 22 5.588 -5.032 -10.613 1.00 0.00 N ATOM 307 CA ALA A 22 4.386 -5.480 -11.333 1.00 0.00 C ATOM 308 C ALA A 22 3.855 -6.891 -11.014 1.00 0.00 C ATOM 309 O ALA A 22 3.075 -7.439 -11.802 1.00 0.00 O ATOM 310 CB ALA A 22 4.648 -5.324 -12.832 1.00 0.00 C ATOM 0 H ALA A 22 6.394 -4.921 -11.228 1.00 0.00 H new ATOM 0 HA ALA A 22 3.578 -4.841 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.771 -5.650 -13.391 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.854 -4.278 -13.058 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.506 -5.933 -13.117 1.00 0.00 H new ATOM 316 N ILE A 23 4.242 -7.481 -9.882 1.00 0.00 N ATOM 317 CA ILE A 23 3.865 -8.821 -9.437 1.00 0.00 C ATOM 318 C ILE A 23 2.370 -9.150 -9.611 1.00 0.00 C ATOM 319 O ILE A 23 1.504 -8.293 -9.362 1.00 0.00 O ATOM 320 CB ILE A 23 4.374 -9.093 -8.005 1.00 0.00 C ATOM 321 CG1 ILE A 23 3.661 -8.282 -6.899 1.00 0.00 C ATOM 322 CG2 ILE A 23 5.885 -8.824 -7.947 1.00 0.00 C ATOM 323 CD1 ILE A 23 3.835 -8.926 -5.518 1.00 0.00 C ATOM 0 H ILE A 23 4.858 -7.012 -9.218 1.00 0.00 H new ATOM 0 HA ILE A 23 4.369 -9.516 -10.109 1.00 0.00 H new ATOM 0 HB ILE A 23 4.144 -10.138 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.058 -7.267 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.599 -8.204 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.250 -9.014 -6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.399 -9.481 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.080 -7.785 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.319 -8.325 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.414 -9.931 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.896 -8.980 -5.273 1.00 0.00 H new ATOM 335 N PRO A 24 2.042 -10.384 -10.031 1.00 0.00 N ATOM 336 CA PRO A 24 0.674 -10.821 -10.241 1.00 0.00 C ATOM 337 C PRO A 24 0.034 -11.278 -8.931 1.00 0.00 C ATOM 338 O PRO A 24 0.708 -11.541 -7.934 1.00 0.00 O ATOM 339 CB PRO A 24 0.801 -12.004 -11.201 1.00 0.00 C ATOM 340 CG PRO A 24 2.075 -12.675 -10.708 1.00 0.00 C ATOM 341 CD PRO A 24 2.957 -11.475 -10.360 1.00 0.00 C ATOM 0 HA PRO A 24 0.045 -10.020 -10.629 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.060 -12.670 -11.144 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.885 -11.681 -12.238 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.892 -13.311 -9.842 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.527 -13.304 -11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.611 -11.703 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.599 -11.206 -11.199 1.00 0.00 H new ATOM 349 N ARG A 25 -1.286 -11.459 -8.958 1.00 0.00 N ATOM 350 CA ARG A 25 -2.062 -11.907 -7.801 1.00 0.00 C ATOM 351 C ARG A 25 -1.536 -13.205 -7.185 1.00 0.00 C ATOM 352 O ARG A 25 -1.596 -13.348 -5.962 1.00 0.00 O ATOM 353 CB ARG A 25 -3.548 -12.017 -8.190 1.00 0.00 C ATOM 354 CG ARG A 25 -3.825 -13.035 -9.316 1.00 0.00 C ATOM 355 CD ARG A 25 -5.145 -12.780 -10.054 1.00 0.00 C ATOM 356 NE ARG A 25 -5.262 -13.646 -11.237 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.768 -14.885 -11.284 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.390 -15.422 -10.233 1.00 0.00 N ATOM 359 NH2 ARG A 25 -5.637 -15.575 -12.415 1.00 0.00 N ATOM 0 H ARG A 25 -1.852 -11.297 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.951 -11.157 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.124 -12.299 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.905 -11.036 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.004 -13.005 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.842 -14.039 -8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.983 -12.962 -9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.200 -11.734 -10.357 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.921 -13.261 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.488 -14.887 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.767 -16.368 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.162 -15.157 -13.215 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.012 -16.521 -12.481 1.00 0.00 H new ATOM 373 N ALA A 26 -1.003 -14.112 -8.008 1.00 0.00 N ATOM 374 CA ALA A 26 -0.470 -15.388 -7.563 1.00 0.00 C ATOM 375 C ALA A 26 0.712 -15.238 -6.607 1.00 0.00 C ATOM 376 O ALA A 26 0.896 -16.081 -5.731 1.00 0.00 O ATOM 377 CB ALA A 26 0.006 -16.189 -8.781 1.00 0.00 C ATOM 0 H ALA A 26 -0.932 -13.972 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.274 -15.897 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.407 -17.148 -8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.833 -16.359 -9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.783 -15.630 -9.303 1.00 0.00 H new ATOM 383 N GLU A 27 1.531 -14.203 -6.801 1.00 0.00 N ATOM 384 CA GLU A 27 2.713 -13.962 -5.977 1.00 0.00 C ATOM 385 C GLU A 27 2.366 -13.072 -4.790 1.00 0.00 C ATOM 386 O GLU A 27 2.946 -13.220 -3.722 1.00 0.00 O ATOM 387 CB GLU A 27 3.822 -13.340 -6.841 1.00 0.00 C ATOM 388 CG GLU A 27 4.231 -14.230 -8.028 1.00 0.00 C ATOM 389 CD GLU A 27 4.795 -15.580 -7.598 1.00 0.00 C ATOM 390 OE1 GLU A 27 5.996 -15.659 -7.252 1.00 0.00 O ATOM 391 OE2 GLU A 27 4.047 -16.584 -7.602 1.00 0.00 O ATOM 0 H GLU A 27 1.392 -13.509 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 27 3.076 -14.909 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.483 -12.375 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.696 -13.150 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.364 -14.393 -8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.976 -13.706 -8.627 1.00 0.00 H new ATOM 398 N VAL A 28 1.398 -12.170 -4.956 1.00 0.00 N ATOM 399 CA VAL A 28 0.952 -11.272 -3.901 1.00 0.00 C ATOM 400 C VAL A 28 0.469 -12.099 -2.715 1.00 0.00 C ATOM 401 O VAL A 28 0.905 -11.859 -1.593 1.00 0.00 O ATOM 402 CB VAL A 28 -0.173 -10.381 -4.443 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.883 -9.603 -3.331 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.379 -9.385 -5.456 1.00 0.00 C ATOM 0 H VAL A 28 0.899 -12.044 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 28 1.772 -10.634 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.896 -11.045 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.671 -8.987 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.320 -10.303 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.164 -8.965 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.432 -8.760 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.129 -8.756 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.835 -9.925 -6.286 1.00 0.00 H new ATOM 414 N ALA A 29 -0.403 -13.080 -2.964 1.00 0.00 N ATOM 415 CA ALA A 29 -0.979 -13.939 -1.940 1.00 0.00 C ATOM 416 C ALA A 29 0.044 -14.604 -1.004 1.00 0.00 C ATOM 417 O ALA A 29 -0.345 -15.038 0.075 1.00 0.00 O ATOM 418 CB ALA A 29 -1.823 -15.004 -2.628 1.00 0.00 C ATOM 0 H ALA A 29 -0.731 -13.299 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.579 -13.298 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.265 -15.659 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.616 -14.525 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.194 -15.591 -3.297 1.00 0.00 H new ATOM 424 N GLU A 30 1.317 -14.721 -1.397 1.00 0.00 N ATOM 425 CA GLU A 30 2.344 -15.328 -0.561 1.00 0.00 C ATOM 426 C GLU A 30 2.914 -14.348 0.468 1.00 0.00 C ATOM 427 O GLU A 30 3.439 -14.778 1.500 1.00 0.00 O ATOM 428 CB GLU A 30 3.518 -15.786 -1.445 1.00 0.00 C ATOM 429 CG GLU A 30 3.242 -17.087 -2.195 1.00 0.00 C ATOM 430 CD GLU A 30 3.031 -18.247 -1.222 1.00 0.00 C ATOM 431 OE1 GLU A 30 3.811 -18.391 -0.251 1.00 0.00 O ATOM 432 OE2 GLU A 30 2.062 -19.013 -1.419 1.00 0.00 O ATOM 0 H GLU A 30 1.658 -14.397 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 30 1.872 -16.161 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.748 -15.001 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.403 -15.915 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.358 -16.969 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.077 -17.312 -2.859 1.00 0.00 H new ATOM 439 N LEU A 31 2.867 -13.042 0.179 1.00 0.00 N ATOM 440 CA LEU A 31 3.387 -11.985 1.026 1.00 0.00 C ATOM 441 C LEU A 31 2.454 -11.762 2.205 1.00 0.00 C ATOM 442 O LEU A 31 2.896 -11.669 3.355 1.00 0.00 O ATOM 443 CB LEU A 31 3.498 -10.686 0.212 1.00 0.00 C ATOM 444 CG LEU A 31 4.211 -10.809 -1.146 1.00 0.00 C ATOM 445 CD1 LEU A 31 3.935 -9.528 -1.930 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.706 -11.085 -0.957 1.00 0.00 C ATOM 0 H LEU A 31 2.450 -12.690 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 31 4.371 -12.273 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.493 -10.299 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.026 -9.946 0.813 1.00 0.00 H new ATOM 0 HG LEU A 31 3.829 -11.659 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.428 -9.582 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.861 -9.414 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.320 -8.672 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.187 -11.168 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.159 -10.267 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.837 -12.017 -0.408 1.00 0.00 H new ATOM 458 N LEU A 32 1.168 -11.607 1.899 1.00 0.00 N ATOM 459 CA LEU A 32 0.135 -11.378 2.884 1.00 0.00 C ATOM 460 C LEU A 32 -0.199 -12.711 3.533 1.00 0.00 C ATOM 461 O LEU A 32 -0.550 -13.653 2.829 1.00 0.00 O ATOM 462 CB LEU A 32 -1.133 -10.812 2.242 1.00 0.00 C ATOM 463 CG LEU A 32 -0.931 -9.544 1.387 1.00 0.00 C ATOM 464 CD1 LEU A 32 -0.856 -9.815 -0.102 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.104 -8.610 1.584 1.00 0.00 C ATOM 0 H LEU A 32 0.817 -11.639 0.942 1.00 0.00 H new ATOM 0 HA LEU A 32 0.498 -10.656 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.579 -11.585 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.851 -10.587 3.031 1.00 0.00 H new ATOM 0 HG LEU A 32 0.017 -9.120 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.713 -8.876 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.018 -10.481 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.782 -10.284 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.961 -7.714 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.023 -9.111 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.175 -8.331 2.635 1.00 0.00 H new ATOM 477 N VAL A 33 -0.131 -12.780 4.857 1.00 0.00 N ATOM 478 CA VAL A 33 -0.438 -14.006 5.587 1.00 0.00 C ATOM 479 C VAL A 33 -1.453 -13.766 6.697 1.00 0.00 C ATOM 480 O VAL A 33 -2.203 -14.693 7.015 1.00 0.00 O ATOM 481 CB VAL A 33 0.851 -14.684 6.090 1.00 0.00 C ATOM 482 CG1 VAL A 33 1.502 -15.485 4.951 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.880 -13.706 6.668 1.00 0.00 C ATOM 0 H VAL A 33 0.136 -11.995 5.452 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.913 -14.701 4.895 1.00 0.00 H new ATOM 0 HB VAL A 33 0.546 -15.341 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.412 -15.961 5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.808 -16.249 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.748 -14.814 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.759 -14.258 7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.171 -12.988 5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.443 -13.176 7.514 1.00 0.00 H new ATOM 493 N HIS A 34 -1.513 -12.555 7.256 1.00 0.00 N ATOM 494 CA HIS A 34 -2.439 -12.177 8.321 1.00 0.00 C ATOM 495 C HIS A 34 -3.227 -10.949 7.853 1.00 0.00 C ATOM 496 O HIS A 34 -2.789 -10.235 6.945 1.00 0.00 O ATOM 497 CB HIS A 34 -1.673 -11.879 9.624 1.00 0.00 C ATOM 498 CG HIS A 34 -0.489 -12.779 9.905 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.799 -12.346 10.125 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.461 -14.149 9.887 1.00 0.00 C ATOM 501 CE1 HIS A 34 1.593 -13.421 10.222 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.871 -14.546 10.084 1.00 0.00 N ATOM 0 H HIS A 34 -0.901 -11.791 6.971 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.126 -12.997 8.531 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.323 -10.847 9.591 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.369 -11.953 10.459 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.309 -14.803 9.747 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.660 -13.388 10.387 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.223 -15.503 10.116 1.00 0.00 H new ATOM 510 N SER A 35 -4.392 -10.676 8.445 1.00 0.00 N ATOM 511 CA SER A 35 -5.171 -9.513 8.032 1.00 0.00 C ATOM 512 C SER A 35 -4.420 -8.216 8.369 1.00 0.00 C ATOM 513 O SER A 35 -3.640 -8.166 9.325 1.00 0.00 O ATOM 514 CB SER A 35 -6.591 -9.576 8.610 1.00 0.00 C ATOM 515 OG SER A 35 -6.642 -10.124 9.913 1.00 0.00 O ATOM 0 H SER A 35 -4.807 -11.231 9.194 1.00 0.00 H new ATOM 0 HA SER A 35 -5.291 -9.521 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.013 -8.571 8.630 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.219 -10.172 7.948 1.00 0.00 H new ATOM 0 HG SER A 35 -7.570 -10.136 10.227 1.00 0.00 H new ATOM 521 N GLY A 36 -4.669 -7.145 7.610 1.00 0.00 N ATOM 522 CA GLY A 36 -4.023 -5.861 7.804 1.00 0.00 C ATOM 523 C GLY A 36 -2.695 -5.785 7.053 1.00 0.00 C ATOM 524 O GLY A 36 -2.116 -4.697 6.983 1.00 0.00 O ATOM 0 H GLY A 36 -5.334 -7.154 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.683 -5.065 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.851 -5.696 8.868 1.00 0.00 H new ATOM 528 N ASP A 37 -2.203 -6.912 6.524 1.00 0.00 N ATOM 529 CA ASP A 37 -0.966 -6.960 5.750 1.00 0.00 C ATOM 530 C ASP A 37 -1.271 -6.200 4.459 1.00 0.00 C ATOM 531 O ASP A 37 -2.358 -6.399 3.912 1.00 0.00 O ATOM 532 CB ASP A 37 -0.553 -8.405 5.402 1.00 0.00 C ATOM 533 CG ASP A 37 0.251 -9.139 6.485 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.614 -8.525 7.519 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.587 -10.327 6.264 1.00 0.00 O ATOM 0 H ASP A 37 -2.658 -7.819 6.624 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.143 -6.530 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.454 -8.981 5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.037 -8.386 4.486 1.00 0.00 H new ATOM 540 N PHE A 38 -0.367 -5.358 3.950 1.00 0.00 N ATOM 541 CA PHE A 38 -0.558 -4.591 2.719 1.00 0.00 C ATOM 542 C PHE A 38 0.743 -4.395 1.938 1.00 0.00 C ATOM 543 O PHE A 38 1.831 -4.401 2.513 1.00 0.00 O ATOM 544 CB PHE A 38 -1.184 -3.219 3.021 1.00 0.00 C ATOM 545 CG PHE A 38 -0.229 -2.173 3.563 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.108 -2.158 4.926 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.327 -1.212 2.695 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.037 -1.219 5.406 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.243 -0.262 3.184 1.00 0.00 C ATOM 550 CZ PHE A 38 1.610 -0.277 4.538 1.00 0.00 C ATOM 0 H PHE A 38 0.536 -5.188 4.393 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.235 -5.176 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.635 -2.835 2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.991 -3.357 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.345 -2.866 5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.049 -1.205 1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.312 -1.222 6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.663 0.477 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.332 0.435 4.911 1.00 0.00 H new ATOM 560 N LEU A 39 0.631 -4.178 0.625 1.00 0.00 N ATOM 561 CA LEU A 39 1.742 -3.951 -0.299 1.00 0.00 C ATOM 562 C LEU A 39 1.279 -3.190 -1.535 1.00 0.00 C ATOM 563 O LEU A 39 0.070 -3.069 -1.757 1.00 0.00 O ATOM 564 CB LEU A 39 2.422 -5.275 -0.702 1.00 0.00 C ATOM 565 CG LEU A 39 1.800 -6.253 -1.728 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.325 -6.497 -1.458 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.965 -5.856 -3.200 1.00 0.00 C ATOM 0 H LEU A 39 -0.276 -4.155 0.158 1.00 0.00 H new ATOM 0 HA LEU A 39 2.479 -3.342 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.411 -5.015 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.571 -5.841 0.217 1.00 0.00 H new ATOM 0 HG LEU A 39 2.377 -7.166 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.071 -7.189 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.203 -6.925 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.217 -5.553 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.494 -6.607 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.492 -4.889 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.026 -5.789 -3.442 1.00 0.00 H new ATOM 579 N VAL A 40 2.220 -2.700 -2.347 1.00 0.00 N ATOM 580 CA VAL A 40 1.928 -1.980 -3.578 1.00 0.00 C ATOM 581 C VAL A 40 2.594 -2.747 -4.715 1.00 0.00 C ATOM 582 O VAL A 40 3.707 -3.268 -4.571 1.00 0.00 O ATOM 583 CB VAL A 40 2.325 -0.489 -3.483 1.00 0.00 C ATOM 584 CG1 VAL A 40 3.561 -0.105 -4.282 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.182 0.418 -3.950 1.00 0.00 C ATOM 0 H VAL A 40 3.218 -2.797 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 40 0.856 -1.940 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 40 2.551 -0.347 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.761 0.959 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.416 -0.680 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.392 -0.318 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.490 1.461 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.936 0.189 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.306 0.251 -3.324 1.00 0.00 H new ATOM 595 N ARG A 41 1.920 -2.796 -5.857 1.00 0.00 N ATOM 596 CA ARG A 41 2.361 -3.482 -7.058 1.00 0.00 C ATOM 597 C ARG A 41 2.009 -2.667 -8.285 1.00 0.00 C ATOM 598 O ARG A 41 0.987 -1.975 -8.296 1.00 0.00 O ATOM 599 CB ARG A 41 1.788 -4.901 -7.087 1.00 0.00 C ATOM 600 CG ARG A 41 0.256 -4.984 -7.086 1.00 0.00 C ATOM 601 CD ARG A 41 -0.132 -6.272 -6.370 1.00 0.00 C ATOM 602 NE ARG A 41 -1.553 -6.598 -6.530 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.061 -7.354 -7.507 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.276 -7.874 -8.447 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.363 -7.604 -7.532 1.00 0.00 N ATOM 0 H ARG A 41 1.015 -2.340 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 41 3.446 -3.582 -7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.163 -5.410 -7.975 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.167 -5.447 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.175 -4.120 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.129 -4.981 -8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.471 -7.094 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.098 -6.177 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.203 -6.218 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.272 -7.697 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.679 -8.449 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.970 -7.220 -6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.757 -8.181 -8.275 1.00 0.00 H new ATOM 619 N GLU A 42 2.878 -2.683 -9.288 1.00 0.00 N ATOM 620 CA GLU A 42 2.634 -1.975 -10.539 1.00 0.00 C ATOM 621 C GLU A 42 1.533 -2.780 -11.257 1.00 0.00 C ATOM 622 O GLU A 42 1.343 -3.973 -10.977 1.00 0.00 O ATOM 623 CB GLU A 42 3.971 -1.816 -11.310 1.00 0.00 C ATOM 624 CG GLU A 42 3.890 -1.387 -12.788 1.00 0.00 C ATOM 625 CD GLU A 42 5.257 -1.329 -13.479 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.103 -0.495 -13.077 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.459 -2.045 -14.492 1.00 0.00 O ATOM 0 H GLU A 42 3.766 -3.184 -9.258 1.00 0.00 H new ATOM 0 HA GLU A 42 2.278 -0.952 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.581 -1.084 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.502 -2.767 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.248 -2.084 -13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.418 -0.406 -12.849 1.00 0.00 H new ATOM 634 N SER A 43 0.738 -2.153 -12.127 1.00 0.00 N ATOM 635 CA SER A 43 -0.309 -2.868 -12.843 1.00 0.00 C ATOM 636 C SER A 43 0.357 -3.866 -13.810 1.00 0.00 C ATOM 637 O SER A 43 1.567 -3.881 -14.022 1.00 0.00 O ATOM 638 CB SER A 43 -1.278 -1.864 -13.488 1.00 0.00 C ATOM 639 OG SER A 43 -2.391 -2.457 -14.143 1.00 0.00 O ATOM 0 H SER A 43 0.802 -1.159 -12.348 1.00 0.00 H new ATOM 0 HA SER A 43 -0.934 -3.463 -12.177 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.645 -1.186 -12.717 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.728 -1.259 -14.209 1.00 0.00 H new ATOM 0 HG SER A 43 -2.586 -3.326 -13.734 1.00 0.00 H new ATOM 645 N GLN A 44 -0.454 -4.706 -14.436 1.00 0.00 N ATOM 646 CA GLN A 44 -0.118 -5.757 -15.384 1.00 0.00 C ATOM 647 C GLN A 44 0.450 -5.237 -16.704 1.00 0.00 C ATOM 648 O GLN A 44 0.285 -5.899 -17.724 1.00 0.00 O ATOM 649 CB GLN A 44 -1.393 -6.581 -15.643 1.00 0.00 C ATOM 650 CG GLN A 44 -1.920 -7.254 -14.376 1.00 0.00 C ATOM 651 CD GLN A 44 -2.993 -6.473 -13.608 1.00 0.00 C ATOM 652 OE1 GLN A 44 -2.950 -5.253 -13.459 1.00 0.00 O ATOM 653 NE2 GLN A 44 -3.950 -7.174 -13.027 1.00 0.00 N ATOM 0 H GLN A 44 -1.461 -4.664 -14.277 1.00 0.00 H new ATOM 0 HA GLN A 44 0.674 -6.365 -14.946 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.165 -5.931 -16.054 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.184 -7.342 -16.395 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.329 -8.228 -14.646 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.079 -7.436 -13.706 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.987 -8.186 -13.150 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.652 -6.703 -12.456 1.00 0.00 H new ATOM 662 N GLY A 45 1.006 -4.032 -16.743 1.00 0.00 N ATOM 663 CA GLY A 45 1.567 -3.431 -17.935 1.00 0.00 C ATOM 664 C GLY A 45 1.375 -1.913 -17.957 1.00 0.00 C ATOM 665 O GLY A 45 1.964 -1.208 -18.782 1.00 0.00 O ATOM 0 H GLY A 45 1.078 -3.434 -15.920 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.631 -3.663 -17.991 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.098 -3.868 -18.816 1.00 0.00 H new ATOM 669 N LYS A 46 0.499 -1.392 -17.096 1.00 0.00 N ATOM 670 CA LYS A 46 0.219 0.031 -16.983 1.00 0.00 C ATOM 671 C LYS A 46 1.032 0.565 -15.814 1.00 0.00 C ATOM 672 O LYS A 46 1.262 -0.147 -14.833 1.00 0.00 O ATOM 673 CB LYS A 46 -1.285 0.258 -16.793 1.00 0.00 C ATOM 674 CG LYS A 46 -2.041 -0.019 -18.101 1.00 0.00 C ATOM 675 CD LYS A 46 -3.555 0.014 -17.890 1.00 0.00 C ATOM 676 CE LYS A 46 -4.095 -1.251 -17.205 1.00 0.00 C ATOM 677 NZ LYS A 46 -4.191 -2.418 -18.111 1.00 0.00 N ATOM 0 H LYS A 46 -0.043 -1.963 -16.448 1.00 0.00 H new ATOM 0 HA LYS A 46 0.502 0.564 -17.891 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.660 -0.394 -16.004 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.466 1.284 -16.472 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.760 0.723 -18.849 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.748 -0.993 -18.493 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.813 0.885 -17.287 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.048 0.136 -18.854 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.447 -1.505 -16.366 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.082 -1.039 -16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.562 -3.236 -17.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.831 -2.194 -18.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.248 -2.646 -18.485 1.00 0.00 H new ATOM 691 N GLN A 47 1.394 1.838 -15.878 1.00 0.00 N ATOM 692 CA GLN A 47 2.182 2.499 -14.855 1.00 0.00 C ATOM 693 C GLN A 47 1.327 2.929 -13.648 1.00 0.00 C ATOM 694 O GLN A 47 1.748 3.771 -12.854 1.00 0.00 O ATOM 695 CB GLN A 47 2.967 3.637 -15.534 1.00 0.00 C ATOM 696 CG GLN A 47 4.207 4.012 -14.716 1.00 0.00 C ATOM 697 CD GLN A 47 5.355 4.571 -15.541 1.00 0.00 C ATOM 698 OE1 GLN A 47 5.152 5.327 -16.484 1.00 0.00 O ATOM 699 NE2 GLN A 47 6.586 4.221 -15.194 1.00 0.00 N ATOM 0 H GLN A 47 1.143 2.448 -16.656 1.00 0.00 H new ATOM 0 HA GLN A 47 2.902 1.811 -14.412 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.267 3.329 -16.536 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.324 4.510 -15.648 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.923 4.748 -13.964 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.556 3.129 -14.181 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.734 3.591 -14.406 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.385 4.582 -15.715 1.00 0.00 H new ATOM 708 N GLU A 48 0.119 2.379 -13.510 1.00 0.00 N ATOM 709 CA GLU A 48 -0.836 2.648 -12.446 1.00 0.00 C ATOM 710 C GLU A 48 -0.488 1.759 -11.253 1.00 0.00 C ATOM 711 O GLU A 48 -0.325 0.548 -11.429 1.00 0.00 O ATOM 712 CB GLU A 48 -2.242 2.356 -13.006 1.00 0.00 C ATOM 713 CG GLU A 48 -3.390 2.574 -12.013 1.00 0.00 C ATOM 714 CD GLU A 48 -4.735 2.753 -12.721 1.00 0.00 C ATOM 715 OE1 GLU A 48 -5.424 1.740 -12.983 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.107 3.919 -13.006 1.00 0.00 O ATOM 0 H GLU A 48 -0.234 1.695 -14.179 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.806 3.683 -12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.409 2.990 -13.877 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.272 1.323 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.448 1.723 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.181 3.454 -11.405 1.00 0.00 H new ATOM 723 N TYR A 49 -0.244 2.330 -10.071 1.00 0.00 N ATOM 724 CA TYR A 49 0.071 1.542 -8.882 1.00 0.00 C ATOM 725 C TYR A 49 -1.239 0.997 -8.317 1.00 0.00 C ATOM 726 O TYR A 49 -2.277 1.669 -8.355 1.00 0.00 O ATOM 727 CB TYR A 49 0.796 2.372 -7.807 1.00 0.00 C ATOM 728 CG TYR A 49 2.208 2.806 -8.155 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.154 1.854 -8.578 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.585 4.158 -8.038 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.451 2.254 -8.934 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.889 4.564 -8.374 1.00 0.00 C ATOM 733 CZ TYR A 49 4.832 3.607 -8.814 1.00 0.00 C ATOM 734 OH TYR A 49 6.097 3.974 -9.137 1.00 0.00 O ATOM 0 H TYR A 49 -0.259 3.338 -9.914 1.00 0.00 H new ATOM 0 HA TYR A 49 0.745 0.734 -9.167 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.202 3.262 -7.599 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.831 1.790 -6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.880 0.810 -8.629 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.869 4.887 -7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.159 1.525 -9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.169 5.604 -8.296 1.00 0.00 H new ATOM 0 HH TYR A 49 6.202 4.939 -9.002 1.00 0.00 H new ATOM 744 N VAL A 50 -1.169 -0.197 -7.742 1.00 0.00 N ATOM 745 CA VAL A 50 -2.271 -0.912 -7.136 1.00 0.00 C ATOM 746 C VAL A 50 -1.841 -1.309 -5.737 1.00 0.00 C ATOM 747 O VAL A 50 -0.763 -1.873 -5.549 1.00 0.00 O ATOM 748 CB VAL A 50 -2.605 -2.164 -7.975 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.576 -3.101 -7.232 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.178 -1.769 -9.344 1.00 0.00 C ATOM 0 H VAL A 50 -0.292 -0.715 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.164 -0.289 -7.093 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.674 -2.708 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.788 -3.971 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.123 -3.425 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.504 -2.570 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.405 -2.668 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.090 -1.188 -9.203 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.446 -1.170 -9.886 1.00 0.00 H new ATOM 760 N LEU A 51 -2.665 -0.987 -4.750 1.00 0.00 N ATOM 761 CA LEU A 51 -2.433 -1.334 -3.365 1.00 0.00 C ATOM 762 C LEU A 51 -3.172 -2.652 -3.172 1.00 0.00 C ATOM 763 O LEU A 51 -4.221 -2.885 -3.785 1.00 0.00 O ATOM 764 CB LEU A 51 -3.059 -0.258 -2.471 1.00 0.00 C ATOM 765 CG LEU A 51 -2.531 -0.188 -1.031 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.032 0.094 -0.912 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.239 0.970 -0.324 1.00 0.00 C ATOM 0 H LEU A 51 -3.530 -0.467 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.375 -1.411 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.903 0.713 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.135 -0.425 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.721 -1.169 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.750 0.125 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.472 -0.695 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.804 1.053 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.882 1.042 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.026 1.901 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.314 0.792 -0.322 1.00 0.00 H new ATOM 779 N SER A 52 -2.671 -3.571 -2.367 1.00 0.00 N ATOM 780 CA SER A 52 -3.349 -4.831 -2.121 1.00 0.00 C ATOM 781 C SER A 52 -3.149 -5.174 -0.647 1.00 0.00 C ATOM 782 O SER A 52 -2.036 -5.053 -0.142 1.00 0.00 O ATOM 783 CB SER A 52 -2.820 -5.850 -3.135 1.00 0.00 C ATOM 784 OG SER A 52 -3.232 -5.455 -4.435 1.00 0.00 O ATOM 0 H SER A 52 -1.788 -3.466 -1.868 1.00 0.00 H new ATOM 0 HA SER A 52 -4.428 -4.806 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.733 -5.905 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.200 -6.845 -2.904 1.00 0.00 H new ATOM 0 HG SER A 52 -3.812 -6.145 -4.818 1.00 0.00 H new ATOM 790 N VAL A 53 -4.222 -5.514 0.071 1.00 0.00 N ATOM 791 CA VAL A 53 -4.148 -5.876 1.494 1.00 0.00 C ATOM 792 C VAL A 53 -4.941 -7.172 1.738 1.00 0.00 C ATOM 793 O VAL A 53 -5.630 -7.635 0.823 1.00 0.00 O ATOM 794 CB VAL A 53 -4.526 -4.685 2.415 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.459 -3.305 1.773 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.866 -4.799 3.076 1.00 0.00 C ATOM 0 H VAL A 53 -5.166 -5.547 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.116 -6.094 1.769 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.736 -4.766 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.743 -2.549 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.443 -3.113 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.144 -3.264 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.041 -3.921 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.643 -4.864 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.890 -5.695 3.697 1.00 0.00 H new ATOM 806 N LEU A 54 -4.851 -7.809 2.908 1.00 0.00 N ATOM 807 CA LEU A 54 -5.578 -9.035 3.265 1.00 0.00 C ATOM 808 C LEU A 54 -6.485 -8.676 4.439 1.00 0.00 C ATOM 809 O LEU A 54 -6.028 -7.980 5.344 1.00 0.00 O ATOM 810 CB LEU A 54 -4.619 -10.183 3.615 1.00 0.00 C ATOM 811 CG LEU A 54 -5.314 -11.477 4.096 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.271 -12.057 3.041 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.246 -12.521 4.424 1.00 0.00 C ATOM 0 H LEU A 54 -4.249 -7.475 3.661 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.166 -9.396 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.015 -10.415 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.935 -9.843 4.392 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.906 -11.227 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.733 -12.965 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.046 -11.325 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.714 -12.292 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.726 -13.438 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.656 -12.730 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.594 -12.140 5.210 1.00 0.00 H new ATOM 825 N TRP A 55 -7.729 -9.165 4.468 1.00 0.00 N ATOM 826 CA TRP A 55 -8.628 -8.840 5.570 1.00 0.00 C ATOM 827 C TRP A 55 -9.516 -9.984 6.023 1.00 0.00 C ATOM 828 O TRP A 55 -9.556 -10.271 7.215 1.00 0.00 O ATOM 829 CB TRP A 55 -9.491 -7.640 5.197 1.00 0.00 C ATOM 830 CG TRP A 55 -10.169 -7.013 6.374 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.495 -7.028 6.626 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.564 -6.266 7.466 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.761 -6.296 7.765 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.600 -5.807 8.330 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.241 -5.897 7.789 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.329 -5.018 9.457 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.964 -5.118 8.922 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.001 -4.680 9.759 1.00 0.00 C ATOM 0 H TRP A 55 -8.127 -9.775 3.754 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.982 -8.611 6.417 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.869 -6.893 4.704 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.246 -7.954 4.476 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.236 -7.536 6.027 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.696 -6.137 8.141 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.429 -6.219 7.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.135 -4.673 10.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.943 -4.853 9.152 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.778 -4.085 10.632 1.00 0.00 H new ATOM 849 N ASP A 56 -10.227 -10.630 5.102 1.00 0.00 N ATOM 850 CA ASP A 56 -11.130 -11.727 5.431 1.00 0.00 C ATOM 851 C ASP A 56 -11.102 -12.734 4.288 1.00 0.00 C ATOM 852 O ASP A 56 -11.951 -12.684 3.396 1.00 0.00 O ATOM 853 CB ASP A 56 -12.530 -11.151 5.739 1.00 0.00 C ATOM 854 CG ASP A 56 -13.635 -12.201 5.859 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.344 -13.377 6.160 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.822 -11.843 5.681 1.00 0.00 O ATOM 0 H ASP A 56 -10.193 -10.407 4.107 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.820 -12.263 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.480 -10.586 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.800 -10.446 4.953 1.00 0.00 H new ATOM 861 N GLY A 57 -10.061 -13.575 4.261 1.00 0.00 N ATOM 862 CA GLY A 57 -9.833 -14.630 3.266 1.00 0.00 C ATOM 863 C GLY A 57 -9.841 -14.174 1.802 1.00 0.00 C ATOM 864 O GLY A 57 -10.017 -14.997 0.902 1.00 0.00 O ATOM 0 H GLY A 57 -9.322 -13.537 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.873 -15.101 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.598 -15.396 3.393 1.00 0.00 H new ATOM 868 N LEU A 58 -9.672 -12.874 1.549 1.00 0.00 N ATOM 869 CA LEU A 58 -9.679 -12.289 0.220 1.00 0.00 C ATOM 870 C LEU A 58 -8.632 -11.179 0.161 1.00 0.00 C ATOM 871 O LEU A 58 -8.779 -10.189 0.892 1.00 0.00 O ATOM 872 CB LEU A 58 -11.097 -11.743 -0.062 1.00 0.00 C ATOM 873 CG LEU A 58 -11.438 -11.320 -1.507 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.609 -10.155 -2.051 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.352 -12.480 -2.498 1.00 0.00 C ATOM 0 H LEU A 58 -9.523 -12.187 2.288 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.431 -13.030 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.814 -12.506 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.257 -10.880 0.585 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.469 -10.978 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.921 -9.931 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.761 -9.276 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.553 -10.426 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.602 -12.124 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.339 -12.883 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.053 -13.261 -2.205 1.00 0.00 H new ATOM 887 N PRO A 59 -7.565 -11.314 -0.646 1.00 0.00 N ATOM 888 CA PRO A 59 -6.559 -10.276 -0.785 1.00 0.00 C ATOM 889 C PRO A 59 -7.206 -9.166 -1.644 1.00 0.00 C ATOM 890 O PRO A 59 -7.240 -9.213 -2.873 1.00 0.00 O ATOM 891 CB PRO A 59 -5.343 -10.967 -1.413 1.00 0.00 C ATOM 892 CG PRO A 59 -5.913 -12.162 -2.167 1.00 0.00 C ATOM 893 CD PRO A 59 -7.271 -12.440 -1.523 1.00 0.00 C ATOM 0 HA PRO A 59 -6.222 -9.802 0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.810 -10.294 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.632 -11.284 -0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.020 -11.941 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.255 -13.027 -2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.044 -12.548 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.247 -13.372 -0.959 1.00 0.00 H new ATOM 901 N ARG A 60 -7.839 -8.197 -0.982 1.00 0.00 N ATOM 902 CA ARG A 60 -8.544 -7.063 -1.561 1.00 0.00 C ATOM 903 C ARG A 60 -7.567 -6.144 -2.284 1.00 0.00 C ATOM 904 O ARG A 60 -6.640 -5.616 -1.666 1.00 0.00 O ATOM 905 CB ARG A 60 -9.251 -6.272 -0.443 1.00 0.00 C ATOM 906 CG ARG A 60 -10.321 -7.012 0.381 1.00 0.00 C ATOM 907 CD ARG A 60 -11.664 -7.001 -0.327 1.00 0.00 C ATOM 908 NE ARG A 60 -12.646 -7.843 0.360 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.970 -7.679 0.324 1.00 0.00 C ATOM 910 NH1 ARG A 60 -14.527 -6.685 -0.367 1.00 0.00 N ATOM 911 NH2 ARG A 60 -14.719 -8.548 0.971 1.00 0.00 N ATOM 0 H ARG A 60 -7.873 -8.187 0.037 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.279 -7.434 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.489 -5.907 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.719 -5.397 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.005 -8.041 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.419 -6.543 1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.037 -5.978 -0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.538 -7.351 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.287 -8.621 0.913 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.939 -6.030 -0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.541 -6.579 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.284 -9.318 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.734 -8.451 0.964 1.00 0.00 H new ATOM 925 N HIS A 61 -7.785 -5.915 -3.576 1.00 0.00 N ATOM 926 CA HIS A 61 -6.960 -5.043 -4.396 1.00 0.00 C ATOM 927 C HIS A 61 -7.692 -3.705 -4.493 1.00 0.00 C ATOM 928 O HIS A 61 -8.896 -3.665 -4.780 1.00 0.00 O ATOM 929 CB HIS A 61 -6.721 -5.671 -5.774 1.00 0.00 C ATOM 930 CG HIS A 61 -6.184 -7.083 -5.714 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.158 -7.543 -4.919 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.694 -8.161 -6.380 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.059 -8.872 -5.094 1.00 0.00 C ATOM 934 NE2 HIS A 61 -5.948 -9.283 -6.016 1.00 0.00 N ATOM 0 H HIS A 61 -8.557 -6.341 -4.089 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.974 -4.895 -3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.658 -5.672 -6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.020 -5.049 -6.330 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.527 -8.148 -7.067 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.367 -9.516 -4.571 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.056 -10.230 -6.379 1.00 0.00 H new ATOM 942 N PHE A 62 -6.984 -2.606 -4.253 1.00 0.00 N ATOM 943 CA PHE A 62 -7.483 -1.245 -4.284 1.00 0.00 C ATOM 944 C PHE A 62 -6.597 -0.466 -5.257 1.00 0.00 C ATOM 945 O PHE A 62 -5.424 -0.218 -4.978 1.00 0.00 O ATOM 946 CB PHE A 62 -7.451 -0.674 -2.860 1.00 0.00 C ATOM 947 CG PHE A 62 -8.321 -1.404 -1.846 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.810 -2.479 -1.086 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.642 -0.972 -1.618 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.595 -3.073 -0.085 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.432 -1.590 -0.632 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.908 -2.634 0.147 1.00 0.00 C ATOM 0 H PHE A 62 -5.992 -2.649 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.516 -1.182 -4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.421 -0.685 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.764 0.370 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.812 -2.845 -1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.051 -0.162 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.185 -3.875 0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.448 -1.259 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.509 -3.095 0.917 1.00 0.00 H new ATOM 962 N ILE A 63 -7.114 -0.168 -6.450 1.00 0.00 N ATOM 963 CA ILE A 63 -6.381 0.576 -7.470 1.00 0.00 C ATOM 964 C ILE A 63 -6.173 1.982 -6.910 1.00 0.00 C ATOM 965 O ILE A 63 -7.147 2.602 -6.474 1.00 0.00 O ATOM 966 CB ILE A 63 -7.150 0.605 -8.813 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.348 -0.798 -9.438 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.398 1.482 -9.833 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.453 -1.651 -8.798 1.00 0.00 C ATOM 0 H ILE A 63 -8.056 -0.438 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.425 0.100 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.135 1.014 -8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.573 -0.677 -10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.407 -1.343 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.947 1.496 -10.775 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.313 2.498 -9.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.402 1.073 -10.000 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.511 -2.613 -9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.225 -1.811 -7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.409 -1.135 -8.888 1.00 0.00 H new ATOM 981 N ILE A 64 -4.930 2.459 -6.860 1.00 0.00 N ATOM 982 CA ILE A 64 -4.651 3.794 -6.355 1.00 0.00 C ATOM 983 C ILE A 64 -5.088 4.754 -7.459 1.00 0.00 C ATOM 984 O ILE A 64 -4.719 4.566 -8.621 1.00 0.00 O ATOM 985 CB ILE A 64 -3.173 3.945 -5.935 1.00 0.00 C ATOM 986 CG1 ILE A 64 -2.803 2.878 -4.878 1.00 0.00 C ATOM 987 CG2 ILE A 64 -2.958 5.364 -5.386 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.331 2.897 -4.457 1.00 0.00 C ATOM 0 H ILE A 64 -4.106 1.940 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.201 4.013 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.524 3.793 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.424 3.027 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.043 1.891 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.917 5.484 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.199 6.094 -6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.605 5.522 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.155 2.119 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.701 2.716 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.088 3.869 -4.029 1.00 0.00 H new ATOM 1000 N GLN A 65 -5.900 5.749 -7.119 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.389 6.737 -8.066 1.00 0.00 C ATOM 1002 C GLN A 65 -5.689 8.061 -7.780 1.00 0.00 C ATOM 1003 O GLN A 65 -5.375 8.345 -6.622 1.00 0.00 O ATOM 1004 CB GLN A 65 -7.907 6.911 -7.898 1.00 0.00 C ATOM 1005 CG GLN A 65 -8.733 5.613 -7.938 1.00 0.00 C ATOM 1006 CD GLN A 65 -8.651 4.869 -9.271 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -8.314 5.437 -10.310 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -9.014 3.602 -9.291 1.00 0.00 N ATOM 0 H GLN A 65 -6.239 5.891 -6.168 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.183 6.413 -9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.094 7.411 -6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.268 7.575 -8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.391 4.951 -7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.776 5.851 -7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.292 3.137 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.017 3.086 -10.171 1.00 0.00 H new ATOM 1017 N SER A 66 -5.462 8.866 -8.816 1.00 0.00 N ATOM 1018 CA SER A 66 -4.835 10.179 -8.714 1.00 0.00 C ATOM 1019 C SER A 66 -5.672 11.131 -9.553 1.00 0.00 C ATOM 1020 O SER A 66 -6.051 10.793 -10.677 1.00 0.00 O ATOM 1021 CB SER A 66 -3.380 10.170 -9.199 1.00 0.00 C ATOM 1022 OG SER A 66 -2.699 11.303 -8.680 1.00 0.00 O ATOM 0 H SER A 66 -5.716 8.616 -9.772 1.00 0.00 H new ATOM 0 HA SER A 66 -4.800 10.490 -7.670 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.884 9.255 -8.876 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.349 10.182 -10.288 1.00 0.00 H new ATOM 0 HG SER A 66 -1.869 11.015 -8.246 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.982 12.307 -9.006 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.774 13.316 -9.712 1.00 0.00 C ATOM 1030 C LEU A 67 -6.164 14.693 -9.502 1.00 0.00 C ATOM 1031 O LEU A 67 -5.609 15.275 -10.433 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.261 13.237 -9.311 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.118 14.411 -9.837 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.027 14.611 -11.354 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -10.593 14.186 -9.482 1.00 0.00 C ATOM 0 H LEU A 67 -5.694 12.586 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.747 13.115 -10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.678 12.301 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.332 13.207 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.718 15.304 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.655 15.452 -11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.993 14.815 -11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.368 13.709 -11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.189 15.018 -9.857 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.939 13.258 -9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.701 14.121 -8.399 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.226 15.219 -8.279 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.685 16.541 -7.939 1.00 0.00 C ATOM 1049 C ASP A 68 -4.192 16.439 -7.617 1.00 0.00 C ATOM 1050 O ASP A 68 -3.687 17.139 -6.741 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.506 17.176 -6.805 1.00 0.00 C ATOM 1052 CG ASP A 68 -7.838 17.680 -7.340 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.838 18.676 -8.100 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -8.880 17.064 -7.030 1.00 0.00 O ATOM 0 H ASP A 68 -6.656 14.739 -7.488 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.772 17.206 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.676 16.444 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.949 18.001 -6.360 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.483 15.536 -8.306 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.058 15.239 -8.141 1.00 0.00 C ATOM 1061 C ASN A 69 -1.798 14.573 -6.777 1.00 0.00 C ATOM 1062 O ASN A 69 -0.657 14.421 -6.343 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.184 16.476 -8.410 1.00 0.00 C ATOM 1064 CG ASN A 69 0.288 16.104 -8.486 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.654 15.103 -9.092 1.00 0.00 O ATOM 1066 ND2 ASN A 69 1.167 16.892 -7.892 1.00 0.00 N ATOM 0 H ASN A 69 -3.913 14.963 -9.032 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.760 14.513 -8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.492 16.946 -9.344 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.336 17.211 -7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.162 16.670 -7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.851 17.722 -7.391 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.873 14.197 -6.079 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.893 13.543 -4.787 1.00 0.00 C ATOM 1075 C LEU A 70 -3.519 12.179 -5.004 1.00 0.00 C ATOM 1076 O LEU A 70 -4.507 12.063 -5.738 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.731 14.320 -3.762 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.952 15.420 -3.033 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.717 16.670 -3.870 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.704 15.832 -1.783 1.00 0.00 C ATOM 0 H LEU A 70 -3.815 14.358 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.879 13.480 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.585 14.768 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.128 13.621 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.977 14.990 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.160 17.401 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.147 16.409 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.676 17.096 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.149 16.614 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.689 16.208 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.815 14.970 -1.125 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.951 11.171 -4.350 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.406 9.799 -4.440 1.00 0.00 C ATOM 1094 C TYR A 71 -4.435 9.569 -3.352 1.00 0.00 C ATOM 1095 O TYR A 71 -4.157 9.895 -2.194 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.216 8.858 -4.248 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.132 9.076 -5.277 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.386 8.768 -6.626 1.00 0.00 C ATOM 1099 CD2 TYR A 71 0.101 9.636 -4.896 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.416 9.042 -7.603 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.088 9.880 -5.864 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.819 9.607 -7.220 1.00 0.00 C ATOM 1103 OH TYR A 71 1.730 9.933 -8.170 1.00 0.00 O ATOM 0 H TYR A 71 -2.148 11.293 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.851 9.605 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.800 9.003 -3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.561 7.826 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.327 8.321 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.288 9.878 -3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.614 8.822 -8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.049 10.275 -5.571 1.00 0.00 H new ATOM 0 HH TYR A 71 2.527 10.312 -7.743 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.607 9.034 -3.698 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.679 8.781 -2.740 1.00 0.00 C ATOM 1115 C ARG A 72 -7.577 7.642 -3.199 1.00 0.00 C ATOM 1116 O ARG A 72 -7.680 7.368 -4.395 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.482 10.075 -2.522 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.013 10.728 -3.811 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.517 12.136 -3.486 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.066 12.813 -4.669 1.00 0.00 N ATOM 1121 CZ ARG A 72 -9.034 14.128 -4.921 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -8.465 14.993 -4.084 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -9.579 14.574 -6.047 1.00 0.00 N ATOM 0 H ARG A 72 -5.838 8.764 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.240 8.472 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.326 9.857 -1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.851 10.794 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.224 10.775 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.819 10.128 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.284 12.077 -2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.698 12.728 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.516 12.222 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.036 14.660 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.458 15.988 -4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.010 13.919 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.566 15.572 -6.260 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.268 7.036 -2.232 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.198 5.920 -2.415 1.00 0.00 C ATOM 1139 C LEU A 73 -10.594 6.204 -1.862 1.00 0.00 C ATOM 1140 O LEU A 73 -11.540 5.550 -2.307 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.656 4.652 -1.712 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.112 3.540 -2.618 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -9.193 2.935 -3.515 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -6.927 3.996 -3.462 1.00 0.00 C ATOM 0 H LEU A 73 -8.191 7.323 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.280 5.773 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.861 4.955 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.456 4.233 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.761 2.763 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.755 2.153 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.982 2.508 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.613 3.712 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.583 3.169 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.232 4.826 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.117 4.319 -2.808 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.753 7.154 -0.931 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.061 7.449 -0.338 1.00 0.00 C ATOM 1158 C GLU A 74 -12.337 8.928 -0.042 1.00 0.00 C ATOM 1159 O GLU A 74 -13.502 9.294 0.138 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.241 6.578 0.919 1.00 0.00 C ATOM 1161 CG GLU A 74 -11.301 6.891 2.099 1.00 0.00 C ATOM 1162 CD GLU A 74 -11.922 7.872 3.093 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -12.734 7.420 3.941 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -11.690 9.094 2.990 1.00 0.00 O ATOM 0 H GLU A 74 -9.991 7.730 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.806 7.202 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.270 6.680 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.102 5.534 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.050 5.965 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.368 7.306 1.717 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.331 9.808 -0.038 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.556 11.221 0.246 1.00 0.00 C ATOM 1173 C GLY A 75 -10.247 11.972 0.394 1.00 0.00 C ATOM 1174 O GLY A 75 -9.849 12.707 -0.513 1.00 0.00 O ATOM 0 H GLY A 75 -10.359 9.564 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.143 11.666 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.140 11.321 1.161 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.562 11.782 1.516 1.00 0.00 N ATOM 1179 CA GLU A 76 -8.291 12.448 1.769 1.00 0.00 C ATOM 1180 C GLU A 76 -7.182 11.725 1.007 1.00 0.00 C ATOM 1181 O GLU A 76 -7.212 10.494 0.909 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.983 12.487 3.274 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.447 13.798 3.917 1.00 0.00 C ATOM 1184 CD GLU A 76 -9.928 13.906 4.288 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -10.832 13.413 3.576 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -10.204 14.583 5.303 1.00 0.00 O ATOM 0 H GLU A 76 -9.869 11.167 2.270 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.353 13.479 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.473 11.647 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.911 12.366 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.859 13.958 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.209 14.613 3.233 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.197 12.466 0.502 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.072 11.948 -0.249 1.00 0.00 C ATOM 1195 C GLY A 77 -3.807 12.721 0.074 1.00 0.00 C ATOM 1196 O GLY A 77 -3.819 13.612 0.927 1.00 0.00 O ATOM 0 H GLY A 77 -6.166 13.480 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.928 10.893 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.281 12.013 -1.317 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.702 12.373 -0.588 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.401 13.026 -0.419 1.00 0.00 C ATOM 1202 C PHE A 78 -0.658 13.041 -1.758 1.00 0.00 C ATOM 1203 O PHE A 78 -0.925 12.182 -2.599 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.536 12.305 0.619 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.890 12.571 2.067 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.004 11.943 2.639 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.102 13.428 2.856 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.325 12.148 3.986 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.401 13.614 4.215 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.515 12.973 4.784 1.00 0.00 C ATOM 0 H PHE A 78 -2.685 11.615 -1.270 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.583 14.042 -0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.603 11.232 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.504 12.590 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.621 11.294 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.737 13.945 2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.196 11.672 4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.225 14.250 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.747 13.114 5.829 1.00 0.00 H new ATOM 1220 N PRO A 79 0.308 13.958 -1.946 1.00 0.00 N ATOM 1221 CA PRO A 79 1.095 14.100 -3.176 1.00 0.00 C ATOM 1222 C PRO A 79 1.997 12.908 -3.500 1.00 0.00 C ATOM 1223 O PRO A 79 2.494 12.789 -4.623 1.00 0.00 O ATOM 1224 CB PRO A 79 1.995 15.319 -2.922 1.00 0.00 C ATOM 1225 CG PRO A 79 2.106 15.377 -1.407 1.00 0.00 C ATOM 1226 CD PRO A 79 0.691 15.004 -1.005 1.00 0.00 C ATOM 0 HA PRO A 79 0.413 14.188 -4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.972 15.200 -3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.557 16.231 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.845 14.675 -1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.390 16.367 -1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.652 14.646 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.021 15.861 -1.070 1.00 0.00 H new ATOM 1234 N SER A 80 2.213 12.021 -2.538 1.00 0.00 N ATOM 1235 CA SER A 80 3.080 10.869 -2.694 1.00 0.00 C ATOM 1236 C SER A 80 2.397 9.636 -2.116 1.00 0.00 C ATOM 1237 O SER A 80 1.512 9.752 -1.264 1.00 0.00 O ATOM 1238 CB SER A 80 4.380 11.191 -1.952 1.00 0.00 C ATOM 1239 OG SER A 80 4.840 12.510 -2.204 1.00 0.00 O ATOM 0 H SER A 80 1.783 12.086 -1.615 1.00 0.00 H new ATOM 0 HA SER A 80 3.293 10.658 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.224 11.063 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.150 10.479 -2.249 1.00 0.00 H new ATOM 0 HG SER A 80 5.670 12.667 -1.708 1.00 0.00 H new ATOM 1245 N ILE A 81 2.803 8.453 -2.572 1.00 0.00 N ATOM 1246 CA ILE A 81 2.227 7.202 -2.098 1.00 0.00 C ATOM 1247 C ILE A 81 2.614 6.942 -0.635 1.00 0.00 C ATOM 1248 O ILE A 81 1.698 6.731 0.160 1.00 0.00 O ATOM 1249 CB ILE A 81 2.573 6.023 -3.033 1.00 0.00 C ATOM 1250 CG1 ILE A 81 2.225 6.307 -4.512 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.871 4.745 -2.535 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.732 6.339 -4.819 1.00 0.00 C ATOM 0 H ILE A 81 3.534 8.337 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 81 1.141 7.294 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 81 3.653 5.882 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.661 7.264 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.694 5.545 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.116 3.914 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.207 4.516 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.792 4.900 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.583 6.544 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.289 5.375 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.256 7.121 -4.227 1.00 0.00 H new ATOM 1264 N PRO A 82 3.905 6.976 -0.226 1.00 0.00 N ATOM 1265 CA PRO A 82 4.258 6.715 1.165 1.00 0.00 C ATOM 1266 C PRO A 82 3.629 7.742 2.107 1.00 0.00 C ATOM 1267 O PRO A 82 3.271 7.388 3.223 1.00 0.00 O ATOM 1268 CB PRO A 82 5.786 6.690 1.235 1.00 0.00 C ATOM 1269 CG PRO A 82 6.242 7.435 -0.013 1.00 0.00 C ATOM 1270 CD PRO A 82 5.110 7.214 -1.010 1.00 0.00 C ATOM 0 HA PRO A 82 3.861 5.757 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.149 7.175 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.165 5.668 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.395 8.495 0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.187 7.043 -0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.987 8.084 -1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.325 6.364 -1.658 1.00 0.00 H new ATOM 1278 N LEU A 83 3.453 8.988 1.651 1.00 0.00 N ATOM 1279 CA LEU A 83 2.844 10.066 2.424 1.00 0.00 C ATOM 1280 C LEU A 83 1.430 9.628 2.841 1.00 0.00 C ATOM 1281 O LEU A 83 1.062 9.777 4.007 1.00 0.00 O ATOM 1282 CB LEU A 83 2.759 11.354 1.578 1.00 0.00 C ATOM 1283 CG LEU A 83 3.956 12.324 1.537 1.00 0.00 C ATOM 1284 CD1 LEU A 83 3.931 13.236 2.763 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.317 11.614 1.479 1.00 0.00 C ATOM 0 H LEU A 83 3.737 9.276 0.715 1.00 0.00 H new ATOM 0 HA LEU A 83 3.452 10.272 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.547 11.055 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.895 11.918 1.930 1.00 0.00 H new ATOM 0 HG LEU A 83 3.848 12.899 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.780 13.918 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.004 13.810 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.991 12.631 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.114 12.357 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.437 10.985 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.367 10.996 0.583 1.00 0.00 H new ATOM 1297 N LEU A 84 0.642 9.120 1.882 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.723 8.650 2.112 1.00 0.00 C ATOM 1299 C LEU A 84 -0.689 7.406 2.988 1.00 0.00 C ATOM 1300 O LEU A 84 -1.381 7.384 3.997 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.445 8.403 0.769 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.922 7.940 0.801 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.060 6.448 1.068 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.815 8.743 1.746 1.00 0.00 C ATOM 0 H LEU A 84 0.944 9.025 0.912 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.293 9.415 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.399 9.327 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.875 7.655 0.218 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.285 8.143 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.116 6.177 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.551 5.889 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.613 6.208 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.832 8.352 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.434 8.661 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.817 9.790 1.443 1.00 0.00 H new ATOM 1316 N ILE A 85 0.103 6.385 2.641 1.00 0.00 N ATOM 1317 CA ILE A 85 0.185 5.148 3.424 1.00 0.00 C ATOM 1318 C ILE A 85 0.458 5.489 4.882 1.00 0.00 C ATOM 1319 O ILE A 85 -0.278 5.032 5.750 1.00 0.00 O ATOM 1320 CB ILE A 85 1.223 4.178 2.788 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.518 3.137 1.904 1.00 0.00 C ATOM 1322 CG2 ILE A 85 2.117 3.395 3.773 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.306 3.757 0.780 1.00 0.00 C ATOM 0 H ILE A 85 0.701 6.393 1.815 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.765 4.614 3.406 1.00 0.00 H new ATOM 0 HB ILE A 85 1.874 4.847 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.266 2.472 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.133 2.524 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.798 2.753 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.692 4.096 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.492 2.782 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.776 2.967 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.076 4.401 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.345 4.348 0.135 1.00 0.00 H new ATOM 1335 N ASP A 86 1.464 6.319 5.155 1.00 0.00 N ATOM 1336 CA ASP A 86 1.818 6.725 6.505 1.00 0.00 C ATOM 1337 C ASP A 86 0.615 7.337 7.224 1.00 0.00 C ATOM 1338 O ASP A 86 0.483 7.118 8.426 1.00 0.00 O ATOM 1339 CB ASP A 86 3.009 7.678 6.459 1.00 0.00 C ATOM 1340 CG ASP A 86 3.200 8.408 7.783 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.922 7.894 8.665 1.00 0.00 O ATOM 1342 OD2 ASP A 86 2.656 9.531 7.904 1.00 0.00 O ATOM 0 H ASP A 86 2.059 6.730 4.435 1.00 0.00 H new ATOM 0 HA ASP A 86 2.112 5.847 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.913 7.119 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.862 8.405 5.661 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.257 8.083 6.532 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.437 8.670 7.155 1.00 0.00 C ATOM 1349 C HIS A 87 -2.444 7.587 7.529 1.00 0.00 C ATOM 1350 O HIS A 87 -3.005 7.637 8.622 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.090 9.696 6.222 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.376 10.289 6.750 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.498 11.145 7.821 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.630 10.099 6.226 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.789 11.506 7.909 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.518 10.898 6.954 1.00 0.00 N ATOM 0 H HIS A 87 -0.161 8.291 5.538 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.119 9.180 8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.381 10.503 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.291 9.220 5.262 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.744 11.450 8.437 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.885 9.450 5.401 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.187 12.190 8.644 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.687 6.606 6.658 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.649 5.532 6.926 1.00 0.00 C ATOM 1366 C LEU A 88 -3.157 4.657 8.055 1.00 0.00 C ATOM 1367 O LEU A 88 -3.937 4.250 8.913 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.934 4.692 5.673 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.060 5.341 4.853 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.641 6.713 4.370 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.466 4.489 3.652 1.00 0.00 C ATOM 0 H LEU A 88 -2.226 6.532 5.751 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.589 5.997 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.032 4.610 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.218 3.680 5.960 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.922 5.426 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.450 7.158 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.417 7.348 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.754 6.623 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.264 4.989 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.606 4.352 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.817 3.517 3.998 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.860 4.389 8.059 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.208 3.585 9.079 1.00 0.00 C ATOM 1385 C LEU A 89 -1.196 4.326 10.421 1.00 0.00 C ATOM 1386 O LEU A 89 -1.239 3.675 11.460 1.00 0.00 O ATOM 1387 CB LEU A 89 0.218 3.280 8.610 1.00 0.00 C ATOM 1388 CG LEU A 89 0.403 1.929 7.902 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.093 0.729 8.801 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.422 1.862 6.626 1.00 0.00 C ATOM 0 H LEU A 89 -1.221 4.730 7.341 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.753 2.653 9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.537 4.073 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.881 3.312 9.474 1.00 0.00 H new ATOM 0 HG LEU A 89 1.461 1.866 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.243 -0.194 8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.757 0.741 9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.942 0.785 9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.272 0.895 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.477 1.987 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.109 2.656 5.948 1.00 0.00 H new ATOM 1402 N SER A 90 -1.192 5.659 10.399 1.00 0.00 N ATOM 1403 CA SER A 90 -1.193 6.542 11.557 1.00 0.00 C ATOM 1404 C SER A 90 -2.608 6.591 12.143 1.00 0.00 C ATOM 1405 O SER A 90 -2.835 6.223 13.292 1.00 0.00 O ATOM 1406 CB SER A 90 -0.662 7.908 11.070 1.00 0.00 C ATOM 1407 OG SER A 90 -1.079 9.039 11.799 1.00 0.00 O ATOM 0 H SER A 90 -1.188 6.177 9.520 1.00 0.00 H new ATOM 0 HA SER A 90 -0.549 6.197 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.427 7.875 11.084 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.964 8.041 10.031 1.00 0.00 H new ATOM 0 HG SER A 90 -0.684 9.845 11.406 1.00 0.00 H new ATOM 1413 N THR A 91 -3.575 7.032 11.341 1.00 0.00 N ATOM 1414 CA THR A 91 -4.976 7.167 11.730 1.00 0.00 C ATOM 1415 C THR A 91 -5.674 5.832 11.978 1.00 0.00 C ATOM 1416 O THR A 91 -6.644 5.788 12.733 1.00 0.00 O ATOM 1417 CB THR A 91 -5.738 7.928 10.634 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.519 7.329 9.371 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.302 9.389 10.557 1.00 0.00 C ATOM 0 H THR A 91 -3.400 7.313 10.376 1.00 0.00 H new ATOM 0 HA THR A 91 -4.983 7.712 12.674 1.00 0.00 H new ATOM 0 HB THR A 91 -6.796 7.885 10.894 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.731 7.732 8.950 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.862 9.895 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.495 9.877 11.512 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.236 9.439 10.333 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.163 4.740 11.402 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.740 3.405 11.519 1.00 0.00 C ATOM 1429 C GLN A 92 -7.212 3.439 11.051 1.00 0.00 C ATOM 1430 O GLN A 92 -8.077 2.760 11.605 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.506 2.829 12.931 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.047 2.451 13.220 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.677 1.211 12.412 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.170 0.115 12.677 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -2.864 1.348 11.389 1.00 0.00 N ATOM 0 H GLN A 92 -4.319 4.764 10.830 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.235 2.703 10.856 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.833 3.561 13.669 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.131 1.945 13.059 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.387 3.279 12.960 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.913 2.259 14.285 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.460 2.260 11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.637 0.542 10.807 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.479 4.262 10.026 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.783 4.460 9.402 1.00 0.00 C ATOM 1446 C GLN A 93 -9.087 3.342 8.404 1.00 0.00 C ATOM 1447 O GLN A 93 -8.141 2.728 7.896 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.771 5.795 8.629 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.823 5.853 7.417 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.875 7.206 6.711 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.561 7.369 5.702 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.165 8.197 7.217 1.00 0.00 N ATOM 0 H GLN A 93 -6.752 4.832 9.594 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.541 4.462 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.784 6.005 8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.497 6.592 9.320 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.803 5.655 7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.089 5.066 6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.602 8.045 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.180 9.114 6.771 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.353 3.119 8.020 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.671 2.098 7.046 1.00 0.00 C ATOM 1463 C PRO A 94 -10.456 2.642 5.630 1.00 0.00 C ATOM 1464 O PRO A 94 -10.905 3.737 5.287 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.132 1.747 7.290 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.723 3.068 7.784 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.568 3.742 8.530 1.00 0.00 C ATOM 0 HA PRO A 94 -10.035 1.218 7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.622 1.401 6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.239 0.955 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.073 3.682 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.577 2.901 8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.561 4.817 8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.660 3.598 9.607 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.837 1.820 4.788 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.522 2.079 3.381 1.00 0.00 C ATOM 1477 C LEU A 95 -10.747 2.569 2.628 1.00 0.00 C ATOM 1478 O LEU A 95 -10.675 3.508 1.843 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.094 0.769 2.697 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.591 0.498 2.718 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.401 -0.989 2.421 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.870 1.343 1.655 1.00 0.00 C ATOM 0 H LEU A 95 -9.521 0.897 5.086 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.732 2.829 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.606 -0.062 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.431 0.790 1.661 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.170 0.763 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.338 -1.228 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.909 -1.580 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.820 -1.221 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.801 1.134 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.258 1.094 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.039 2.401 1.855 1.00 0.00 H new ATOM 1494 N THR A 96 -11.850 1.843 2.800 1.00 0.00 N ATOM 1495 CA THR A 96 -13.130 2.107 2.183 1.00 0.00 C ATOM 1496 C THR A 96 -14.203 1.611 3.152 1.00 0.00 C ATOM 1497 O THR A 96 -13.993 0.630 3.885 1.00 0.00 O ATOM 1498 CB THR A 96 -13.228 1.379 0.825 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.089 -0.015 0.991 1.00 0.00 O ATOM 1500 CG2 THR A 96 -12.205 1.816 -0.223 1.00 0.00 C ATOM 0 H THR A 96 -11.867 1.020 3.402 1.00 0.00 H new ATOM 0 HA THR A 96 -13.261 3.171 1.986 1.00 0.00 H new ATOM 0 HB THR A 96 -14.216 1.653 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.313 -0.468 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.357 1.246 -1.140 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.329 2.879 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.198 1.635 0.154 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.363 2.257 3.156 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.479 1.882 4.009 1.00 0.00 C ATOM 1510 C LYS A 97 -16.965 0.487 3.630 1.00 0.00 C ATOM 1511 O LYS A 97 -17.081 -0.372 4.507 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.562 2.963 3.881 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.592 2.908 5.011 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.680 1.851 4.798 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.657 1.837 5.971 1.00 0.00 C ATOM 1516 NZ LYS A 97 -21.571 2.997 5.977 1.00 0.00 N ATOM 0 H LYS A 97 -15.555 3.063 2.561 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.186 1.828 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.089 3.945 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.072 2.848 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.078 2.704 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.062 3.886 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.218 2.057 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.222 0.868 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.244 0.919 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.095 1.820 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.209 2.932 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -21.017 3.875 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.131 3.002 5.101 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.180 0.247 2.329 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.675 -0.995 1.736 1.00 0.00 C ATOM 1532 C LYS A 98 -16.933 -2.278 2.138 1.00 0.00 C ATOM 1533 O LYS A 98 -17.472 -3.356 1.889 1.00 0.00 O ATOM 1534 CB LYS A 98 -17.797 -0.791 0.208 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.465 -1.922 -0.601 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.889 -2.287 -0.142 1.00 0.00 C ATOM 1537 CE LYS A 98 -20.912 -1.193 -0.482 1.00 0.00 C ATOM 1538 NZ LYS A 98 -21.540 -1.417 -1.801 1.00 0.00 N ATOM 0 H LYS A 98 -17.001 0.961 1.623 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.660 -1.188 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.358 0.127 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.796 -0.634 -0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.500 -1.628 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.839 -2.812 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.191 -3.222 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.888 -2.458 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.683 -1.166 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.420 -0.221 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.224 -0.657 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.807 -1.418 -2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.032 -2.333 -1.800 1.00 0.00 H new ATOM 1552 N SER A 99 -15.745 -2.228 2.748 1.00 0.00 N ATOM 1553 CA SER A 99 -15.049 -3.449 3.162 1.00 0.00 C ATOM 1554 C SER A 99 -14.514 -3.399 4.600 1.00 0.00 C ATOM 1555 O SER A 99 -14.060 -4.428 5.093 1.00 0.00 O ATOM 1556 CB SER A 99 -14.025 -3.878 2.101 1.00 0.00 C ATOM 1557 OG SER A 99 -13.132 -2.857 1.690 1.00 0.00 O ATOM 0 H SER A 99 -15.249 -1.363 2.964 1.00 0.00 H new ATOM 0 HA SER A 99 -15.787 -4.250 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.444 -4.713 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 99 -14.561 -4.246 1.226 1.00 0.00 H new ATOM 0 HG SER A 99 -13.641 -2.054 1.451 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.543 -2.251 5.292 1.00 0.00 N ATOM 1564 CA GLY A 100 -14.070 -2.117 6.676 1.00 0.00 C ATOM 1565 C GLY A 100 -12.597 -2.472 6.937 1.00 0.00 C ATOM 1566 O GLY A 100 -12.181 -2.511 8.093 1.00 0.00 O ATOM 0 H GLY A 100 -14.900 -1.379 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.234 -1.087 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.691 -2.749 7.311 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.808 -2.730 5.892 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.395 -3.077 5.947 1.00 0.00 C ATOM 1572 C VAL A 101 -9.582 -1.873 6.406 1.00 0.00 C ATOM 1573 O VAL A 101 -9.860 -0.760 5.952 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.909 -3.514 4.548 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.493 -4.085 4.602 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.834 -4.530 3.869 1.00 0.00 C ATOM 0 H VAL A 101 -12.161 -2.700 4.936 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.261 -3.896 6.653 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.919 -2.605 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.182 -4.383 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.809 -3.327 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.476 -4.954 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.431 -4.792 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.904 -5.427 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.826 -4.095 3.748 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.569 -2.113 7.237 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.633 -1.147 7.803 1.00 0.00 C ATOM 1588 C VAL A 102 -6.230 -1.693 7.485 1.00 0.00 C ATOM 1589 O VAL A 102 -6.071 -2.902 7.281 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.881 -1.030 9.330 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.991 0.011 10.019 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.346 -0.681 9.660 1.00 0.00 C ATOM 0 H VAL A 102 -8.367 -3.061 7.555 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.751 -0.146 7.388 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.631 -2.020 9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.220 0.037 11.084 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.944 -0.256 9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.176 0.993 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.469 -0.610 10.741 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.605 0.274 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -10.002 -1.459 9.271 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.223 -0.828 7.357 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.846 -1.236 7.087 1.00 0.00 C ATOM 1604 C LEU A 103 -3.193 -1.358 8.453 1.00 0.00 C ATOM 1605 O LEU A 103 -3.266 -0.421 9.244 1.00 0.00 O ATOM 1606 CB LEU A 103 -3.071 -0.185 6.275 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.173 -0.327 4.749 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.598 -0.154 4.243 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.310 0.715 4.030 1.00 0.00 C ATOM 0 H LEU A 103 -5.342 0.182 7.438 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.837 -2.158 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.431 0.805 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.020 -0.234 6.558 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.824 -1.336 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.615 -0.264 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.239 -0.911 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.962 0.837 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.406 0.586 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.642 1.716 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.267 0.586 4.320 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.561 -2.492 8.735 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.886 -2.726 10.006 1.00 0.00 C ATOM 1623 C HIS A 104 -0.392 -2.910 9.803 1.00 0.00 C ATOM 1624 O HIS A 104 0.374 -2.541 10.696 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.434 -3.970 10.714 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.840 -3.842 11.245 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.192 -3.941 12.569 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.993 -3.671 10.528 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.525 -3.842 12.648 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.063 -3.681 11.430 1.00 0.00 N ATOM 0 H HIS A 104 -2.502 -3.277 8.086 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.072 -1.848 10.624 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.401 -4.808 10.018 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.771 -4.218 11.543 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.552 -4.067 13.353 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.064 -3.550 9.457 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.090 -3.886 13.567 1.00 0.00 H new ATOM 1638 N ARG A 105 0.058 -3.472 8.668 1.00 0.00 N ATOM 1639 CA ARG A 105 1.490 -3.673 8.486 1.00 0.00 C ATOM 1640 C ARG A 105 1.916 -3.968 7.056 1.00 0.00 C ATOM 1641 O ARG A 105 1.263 -4.736 6.354 1.00 0.00 O ATOM 1642 CB ARG A 105 1.872 -4.886 9.342 1.00 0.00 C ATOM 1643 CG ARG A 105 3.355 -4.840 9.676 1.00 0.00 C ATOM 1644 CD ARG A 105 3.673 -5.968 10.649 1.00 0.00 C ATOM 1645 NE ARG A 105 4.439 -5.450 11.778 1.00 0.00 N ATOM 1646 CZ ARG A 105 5.711 -5.750 12.043 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.327 -6.776 11.452 1.00 0.00 N ATOM 1648 NH2 ARG A 105 6.358 -4.997 12.917 1.00 0.00 N ATOM 0 H ARG A 105 -0.530 -3.782 7.894 1.00 0.00 H new ATOM 0 HA ARG A 105 1.987 -2.744 8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.284 -4.894 10.260 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.640 -5.807 8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.950 -4.945 8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.613 -3.877 10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 105 2.749 -6.425 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.240 -6.749 10.142 1.00 0.00 H new ATOM 0 HE ARG A 105 3.965 -4.809 12.414 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.824 -7.354 10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.301 -6.982 11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.883 -4.214 13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.332 -5.199 13.142 1.00 0.00 H new ATOM 1662 N ALA A 106 3.030 -3.391 6.625 1.00 0.00 N ATOM 1663 CA ALA A 106 3.564 -3.618 5.294 1.00 0.00 C ATOM 1664 C ALA A 106 4.252 -4.972 5.237 1.00 0.00 C ATOM 1665 O ALA A 106 4.623 -5.539 6.273 1.00 0.00 O ATOM 1666 CB ALA A 106 4.568 -2.507 4.988 1.00 0.00 C ATOM 0 H ALA A 106 3.588 -2.752 7.191 1.00 0.00 H new ATOM 0 HA ALA A 106 2.760 -3.610 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.983 -2.656 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.066 -1.541 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.372 -2.531 5.724 1.00 0.00 H new ATOM 1672 N VAL A 107 4.464 -5.480 4.025 1.00 0.00 N ATOM 1673 CA VAL A 107 5.134 -6.748 3.807 1.00 0.00 C ATOM 1674 C VAL A 107 6.320 -6.439 2.871 1.00 0.00 C ATOM 1675 O VAL A 107 6.150 -5.621 1.967 1.00 0.00 O ATOM 1676 CB VAL A 107 4.124 -7.798 3.308 1.00 0.00 C ATOM 1677 CG1 VAL A 107 3.013 -8.074 4.327 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.429 -7.466 1.993 1.00 0.00 C ATOM 0 H VAL A 107 4.172 -5.016 3.165 1.00 0.00 H new ATOM 0 HA VAL A 107 5.538 -7.203 4.711 1.00 0.00 H new ATOM 0 HB VAL A 107 4.760 -8.670 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.328 -8.821 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.452 -8.445 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.467 -7.152 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.740 -8.269 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.875 -6.533 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.174 -7.358 1.205 1.00 0.00 H new ATOM 1688 N PRO A 108 7.527 -6.989 3.098 1.00 0.00 N ATOM 1689 CA PRO A 108 8.695 -6.730 2.260 1.00 0.00 C ATOM 1690 C PRO A 108 8.795 -7.677 1.055 1.00 0.00 C ATOM 1691 O PRO A 108 8.309 -8.809 1.113 1.00 0.00 O ATOM 1692 CB PRO A 108 9.870 -7.002 3.197 1.00 0.00 C ATOM 1693 CG PRO A 108 9.368 -8.174 4.049 1.00 0.00 C ATOM 1694 CD PRO A 108 7.860 -7.944 4.146 1.00 0.00 C ATOM 0 HA PRO A 108 8.659 -5.724 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.774 -7.262 2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.108 -6.132 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.596 -9.132 3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.835 -8.180 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.314 -8.878 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.588 -7.556 5.127 1.00 0.00 H new ATOM 1702 N SER A 109 9.494 -7.256 -0.006 1.00 0.00 N ATOM 1703 CA SER A 109 9.698 -8.068 -1.212 1.00 0.00 C ATOM 1704 C SER A 109 10.575 -9.286 -0.917 1.00 0.00 C ATOM 1705 O SER A 109 10.368 -10.348 -1.512 1.00 0.00 O ATOM 1706 CB SER A 109 10.282 -7.198 -2.343 1.00 0.00 C ATOM 1707 OG SER A 109 10.783 -7.984 -3.411 1.00 0.00 O ATOM 0 H SER A 109 9.936 -6.338 -0.052 1.00 0.00 H new ATOM 0 HA SER A 109 8.733 -8.449 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.511 -6.525 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.083 -6.575 -1.945 1.00 0.00 H new ATOM 0 HG SER A 109 11.143 -7.397 -4.108 1.00 0.00 H new ATOM 1713 N GLY A 110 11.503 -9.150 0.027 1.00 0.00 N ATOM 1714 CA GLY A 110 12.442 -10.171 0.439 1.00 0.00 C ATOM 1715 C GLY A 110 13.731 -9.416 0.733 1.00 0.00 C ATOM 1716 O GLY A 110 13.734 -8.577 1.641 1.00 0.00 O ATOM 0 H GLY A 110 11.620 -8.280 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.086 -10.704 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.588 -10.914 -0.345 1.00 0.00 H new ATOM 1720 N PRO A 111 14.811 -9.672 -0.010 1.00 0.00 N ATOM 1721 CA PRO A 111 16.078 -8.984 0.169 1.00 0.00 C ATOM 1722 C PRO A 111 15.995 -7.561 -0.397 1.00 0.00 C ATOM 1723 O PRO A 111 14.985 -7.198 -1.011 1.00 0.00 O ATOM 1724 CB PRO A 111 17.075 -9.835 -0.619 1.00 0.00 C ATOM 1725 CG PRO A 111 16.246 -10.499 -1.719 1.00 0.00 C ATOM 1726 CD PRO A 111 14.869 -10.647 -1.083 1.00 0.00 C ATOM 0 HA PRO A 111 16.363 -8.878 1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 111 17.871 -9.221 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 111 17.551 -10.579 0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.209 -9.886 -2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 111 16.661 -11.465 -2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.081 -10.468 -1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 111 14.724 -11.657 -0.699 1.00 0.00 H new ATOM 1734 N SER A 112 17.027 -6.739 -0.197 1.00 0.00 N ATOM 1735 CA SER A 112 17.090 -5.378 -0.717 1.00 0.00 C ATOM 1736 C SER A 112 18.525 -4.863 -0.631 1.00 0.00 C ATOM 1737 O SER A 112 19.282 -5.280 0.247 1.00 0.00 O ATOM 1738 CB SER A 112 16.155 -4.420 0.030 1.00 0.00 C ATOM 1739 OG SER A 112 15.937 -3.307 -0.811 1.00 0.00 O ATOM 0 H SER A 112 17.853 -7.007 0.339 1.00 0.00 H new ATOM 0 HA SER A 112 16.759 -5.411 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.212 -4.912 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.600 -4.107 0.975 1.00 0.00 H new ATOM 0 HG SER A 112 15.339 -2.672 -0.364 1.00 0.00 H new ATOM 1745 N SER A 113 18.870 -3.982 -1.568 1.00 0.00 N ATOM 1746 CA SER A 113 20.130 -3.280 -1.784 1.00 0.00 C ATOM 1747 C SER A 113 19.845 -2.168 -2.803 1.00 0.00 C ATOM 1748 O SER A 113 18.691 -1.949 -3.198 1.00 0.00 O ATOM 1749 CB SER A 113 21.200 -4.235 -2.334 1.00 0.00 C ATOM 1750 OG SER A 113 21.639 -5.140 -1.348 1.00 0.00 O ATOM 0 H SER A 113 18.189 -3.713 -2.278 1.00 0.00 H new ATOM 0 HA SER A 113 20.509 -2.874 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 113 20.795 -4.787 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.048 -3.659 -2.704 1.00 0.00 H new ATOM 0 HG SER A 113 20.969 -5.198 -0.635 1.00 0.00 H new ATOM 1756 N GLY A 114 20.879 -1.446 -3.224 1.00 0.00 N ATOM 1757 CA GLY A 114 20.807 -0.368 -4.190 1.00 0.00 C ATOM 1758 C GLY A 114 22.216 0.048 -4.543 1.00 0.00 C ATOM 1759 O GLY A 114 22.367 1.106 -5.182 1.00 0.00 O ATOM 0 H GLY A 114 21.827 -1.607 -2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 114 20.272 -0.693 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 114 20.254 0.476 -3.777 1.00 0.00 H new TER 1763 GLY A 114