USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 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 122 SER OG : rot 15:sc= 0.537 USER MOD Set 1.2: A 125 THR OG1 : rot 71:sc= 0.798 USER MOD Set 2.1: A 78 CYS SG : rot 39:sc= -0.727 USER MOD Set 2.2: A 111 MET CE :methyl -171:sc= 0 (180deg=-0.0673) USER MOD Set 3.1: A 59 CYS SG : rot 169:sc= 0.275 USER MOD Set 3.2: A 117 TYR OH : rot 20:sc= -0.363 USER MOD Set 4.1: A 26 SER OG : rot -63:sc= -0.0576 USER MOD Set 4.2: A 126 THR OG1 : rot -59:sc= 0.734 USER MOD Set 5.1: A 25 HIS : no HD1:sc= -0.244 X(o=-0.022,f=0.19) USER MOD Set 5.2: A 28 THR OG1 : rot -67:sc= 0.524 USER MOD Set 5.3: A 29 ASN : amide:sc= -0.303 X(o=-0.022,f=-0.062) USER MOD Set 6.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 121 THR OG1 : rot 180:sc=-0.00152 USER MOD Set 7.1: A 3 LYS NZ :NH3+ -150:sc= 0.694 (180deg=-0.0787) USER MOD Set 7.2: A 5 THR OG1 : rot 130:sc=-0.00214 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= -0.0109 (180deg=-0.0768) USER MOD Single : A 33 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.11) USER MOD Single : A 36 ASN : amide:sc= 0.115 K(o=0.12,f=-2.8) USER MOD Single : A 41 SER OG : rot -28:sc= 0.145 USER MOD Single : A 42 SER OG : rot -22:sc= 0.448 USER MOD Single : A 43 GLN : amide:sc= -0.485 K(o=-0.48,f=-4.7!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 43:sc= 0.94 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0505) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -110:sc= 0.46 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.178 K(o=-0.18,f=-7!) USER MOD Single : A 71 CYS SG : rot -106:sc= 1.93 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= -0.603 (180deg=-1.49!) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= -0.336 (180deg=-2.37!) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0496) USER MOD Single : A 93 ASN : amide:sc= -0.947 K(o=-0.95,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00374) USER MOD Single : A 99 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.5) USER MOD Single : A 100 ASN : amide:sc= -0.0051 K(o=-0.0051,f=-1.9) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 MET CE :methyl 169:sc= -1.03 (180deg=-1.43) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -4.565 5.771 13.429 1.00 0.00 N ATOM 21 CA GLU A 2 -5.512 4.861 12.809 1.00 0.00 C ATOM 22 C GLU A 2 -6.521 5.735 12.066 1.00 0.00 C ATOM 23 O GLU A 2 -7.654 5.936 12.486 1.00 0.00 O ATOM 24 CB GLU A 2 -6.162 3.955 13.868 1.00 0.00 C ATOM 25 CG GLU A 2 -5.127 3.058 14.571 1.00 0.00 C ATOM 26 CD GLU A 2 -5.771 2.070 15.562 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.797 1.476 15.231 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.235 1.901 16.657 1.00 0.00 O ATOM 0 HA GLU A 2 -5.031 4.181 12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.671 4.571 14.609 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.921 3.332 13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.567 2.500 13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.411 3.685 15.103 1.00 0.00 H new ATOM 35 N LYS A 3 -6.014 6.207 10.906 1.00 0.00 N ATOM 36 CA LYS A 3 -6.712 7.051 9.979 1.00 0.00 C ATOM 37 C LYS A 3 -7.758 6.186 9.265 1.00 0.00 C ATOM 38 O LYS A 3 -8.117 5.103 9.706 1.00 0.00 O ATOM 39 CB LYS A 3 -5.650 7.666 9.047 1.00 0.00 C ATOM 40 CG LYS A 3 -5.958 9.130 8.783 1.00 0.00 C ATOM 41 CD LYS A 3 -5.044 9.771 7.735 1.00 0.00 C ATOM 42 CE LYS A 3 -5.728 10.898 6.957 1.00 0.00 C ATOM 43 NZ LYS A 3 -6.764 10.434 6.044 1.00 0.00 N ATOM 0 H LYS A 3 -5.066 5.987 10.600 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.252 7.876 10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.663 7.572 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.623 7.118 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.993 9.221 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.870 9.685 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.155 10.164 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.709 9.005 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.168 11.601 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.975 11.445 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.827 11.081 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.528 9.479 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.678 10.411 6.539 1.00 0.00 H new ATOM 56 N LYS A 4 -8.217 6.740 8.129 1.00 0.00 N ATOM 57 CA LYS A 4 -9.234 6.072 7.343 1.00 0.00 C ATOM 58 C LYS A 4 -8.985 6.474 5.892 1.00 0.00 C ATOM 59 O LYS A 4 -9.366 7.552 5.454 1.00 0.00 O ATOM 60 CB LYS A 4 -10.617 6.498 7.873 1.00 0.00 C ATOM 61 CG LYS A 4 -10.828 8.019 8.001 1.00 0.00 C ATOM 62 CD LYS A 4 -12.164 8.380 8.667 1.00 0.00 C ATOM 63 CE LYS A 4 -12.277 7.920 10.127 1.00 0.00 C ATOM 64 NZ LYS A 4 -11.214 8.443 10.976 1.00 0.00 N ATOM 0 H LYS A 4 -7.899 7.632 7.751 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.199 4.985 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.383 6.095 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.770 6.042 8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.011 8.447 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.787 8.472 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.299 9.461 8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.977 7.935 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.241 8.234 10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.258 6.831 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.409 8.197 11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.305 8.028 10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.169 9.477 10.878 1.00 0.00 H new ATOM 77 N THR A 5 -8.319 5.540 5.170 1.00 0.00 N ATOM 78 CA THR A 5 -8.002 5.766 3.764 1.00 0.00 C ATOM 79 C THR A 5 -7.159 4.549 3.337 1.00 0.00 C ATOM 80 O THR A 5 -5.963 4.483 3.599 1.00 0.00 O ATOM 81 CB THR A 5 -7.243 7.134 3.558 1.00 0.00 C ATOM 82 OG1 THR A 5 -6.748 7.796 4.765 1.00 0.00 O ATOM 83 CG2 THR A 5 -8.019 8.085 2.592 1.00 0.00 C ATOM 0 H THR A 5 -8.002 4.644 5.541 1.00 0.00 H new ATOM 0 HA THR A 5 -8.898 5.852 3.149 1.00 0.00 H new ATOM 0 HB THR A 5 -6.312 6.851 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.805 8.035 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.465 9.016 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.130 7.605 1.620 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.005 8.299 3.006 1.00 0.00 H new ATOM 91 N ILE A 6 -7.859 3.606 2.654 1.00 0.00 N ATOM 92 CA ILE A 6 -7.281 2.397 2.121 1.00 0.00 C ATOM 93 C ILE A 6 -7.612 2.428 0.641 1.00 0.00 C ATOM 94 O ILE A 6 -8.766 2.367 0.233 1.00 0.00 O ATOM 95 CB ILE A 6 -7.784 1.073 2.780 1.00 0.00 C ATOM 96 CG1 ILE A 6 -7.960 1.075 4.305 1.00 0.00 C ATOM 97 CG2 ILE A 6 -7.278 -0.126 1.904 1.00 0.00 C ATOM 98 CD1 ILE A 6 -9.116 1.853 4.970 1.00 0.00 C ATOM 0 H ILE A 6 -8.858 3.690 2.468 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.211 2.384 2.330 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.860 0.901 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.054 0.035 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.032 1.454 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.616 -1.065 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.677 -0.033 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.189 -0.115 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.064 1.727 6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.032 2.911 4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.069 1.470 4.605 1.00 0.00 H new ATOM 110 N VAL A 7 -6.498 2.499 -0.116 1.00 0.00 N ATOM 111 CA VAL A 7 -6.521 2.534 -1.555 1.00 0.00 C ATOM 112 C VAL A 7 -6.031 1.186 -2.098 1.00 0.00 C ATOM 113 O VAL A 7 -4.871 0.819 -1.964 1.00 0.00 O ATOM 114 CB VAL A 7 -5.745 3.775 -2.081 1.00 0.00 C ATOM 115 CG1 VAL A 7 -4.289 3.818 -1.517 1.00 0.00 C ATOM 116 CG2 VAL A 7 -6.137 4.517 -3.374 1.00 0.00 C ATOM 0 H VAL A 7 -5.558 2.533 0.279 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.537 2.662 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.276 4.632 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.775 4.697 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.322 3.867 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.753 2.920 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.452 5.349 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.082 3.830 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.154 4.898 -3.281 1.00 0.00 H new ATOM 126 N LEU A 8 -7.007 0.483 -2.718 1.00 0.00 N ATOM 127 CA LEU A 8 -6.773 -0.838 -3.280 1.00 0.00 C ATOM 128 C LEU A 8 -6.810 -0.674 -4.806 1.00 0.00 C ATOM 129 O LEU A 8 -7.682 -0.018 -5.366 1.00 0.00 O ATOM 130 CB LEU A 8 -7.867 -1.797 -2.759 1.00 0.00 C ATOM 131 CG LEU A 8 -7.546 -3.313 -2.956 1.00 0.00 C ATOM 132 CD1 LEU A 8 -6.436 -3.750 -1.957 1.00 0.00 C ATOM 133 CD2 LEU A 8 -8.472 -4.377 -3.590 1.00 0.00 C ATOM 0 H LEU A 8 -7.962 0.823 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.812 -1.262 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.024 -1.607 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.805 -1.568 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.278 -3.318 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.216 -4.808 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.534 -3.164 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.780 -3.584 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.970 -5.344 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.395 -4.446 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.705 -4.092 -4.616 1.00 0.00 H new ATOM 145 N GLY A 9 -5.794 -1.315 -5.428 1.00 0.00 N ATOM 146 CA GLY A 9 -5.664 -1.299 -6.885 1.00 0.00 C ATOM 147 C GLY A 9 -4.307 -1.879 -7.289 1.00 0.00 C ATOM 148 O GLY A 9 -3.464 -2.090 -6.425 1.00 0.00 O ATOM 0 H GLY A 9 -5.066 -1.840 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.468 -1.880 -7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.759 -0.279 -7.257 1.00 0.00 H new ATOM 152 N VAL A 10 -4.147 -2.163 -8.624 1.00 0.00 N ATOM 153 CA VAL A 10 -2.892 -2.746 -9.098 1.00 0.00 C ATOM 154 C VAL A 10 -2.867 -3.319 -10.547 1.00 0.00 C ATOM 155 O VAL A 10 -3.099 -2.609 -11.514 1.00 0.00 O ATOM 156 CB VAL A 10 -2.621 -3.957 -8.213 1.00 0.00 C ATOM 157 CG1 VAL A 10 -3.982 -4.808 -8.211 1.00 0.00 C ATOM 158 CG2 VAL A 10 -1.142 -4.422 -8.057 1.00 0.00 C ATOM 0 H VAL A 10 -4.850 -1.998 -9.344 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.177 -1.924 -9.071 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.450 -3.881 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.855 -5.696 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.792 -4.198 -7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.224 -5.109 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.101 -5.292 -7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.738 -4.686 -9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.550 -3.614 -7.626 1.00 0.00 H new ATOM 168 N ILE A 11 -2.523 -4.658 -10.615 1.00 0.00 N ATOM 169 CA ILE A 11 -2.393 -5.369 -11.891 1.00 0.00 C ATOM 170 C ILE A 11 -2.931 -6.795 -11.675 1.00 0.00 C ATOM 171 O ILE A 11 -3.555 -7.098 -10.665 1.00 0.00 O ATOM 172 CB ILE A 11 -0.912 -5.400 -12.389 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.658 -4.601 -13.730 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.061 -5.854 -11.237 1.00 0.00 C ATOM 175 CD1 ILE A 11 -1.156 -3.135 -13.833 1.00 0.00 C ATOM 0 H ILE A 11 -2.338 -5.236 -9.795 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.962 -4.853 -12.664 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.392 -6.128 -13.011 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.416 -4.598 -13.914 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.119 -5.164 -14.542 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.085 -5.867 -11.610 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.013 -5.156 -10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.215 -6.853 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.903 -2.733 -14.814 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.237 -3.108 -13.697 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.678 -2.533 -13.060 1.00 0.00 H new ATOM 187 N GLY A 12 -2.645 -7.654 -12.695 1.00 0.00 N ATOM 188 CA GLY A 12 -3.108 -9.035 -12.631 1.00 0.00 C ATOM 189 C GLY A 12 -2.746 -9.800 -13.910 1.00 0.00 C ATOM 190 O GLY A 12 -2.441 -9.242 -14.957 1.00 0.00 O ATOM 0 H GLY A 12 -2.116 -7.410 -13.532 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.663 -9.531 -11.769 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.188 -9.053 -12.486 1.00 0.00 H new ATOM 292 N LYS A 21 -10.255 -9.177 -4.431 1.00 0.00 N ATOM 293 CA LYS A 21 -11.063 -10.118 -3.615 1.00 0.00 C ATOM 294 C LYS A 21 -11.698 -9.349 -2.499 1.00 0.00 C ATOM 295 O LYS A 21 -11.669 -9.669 -1.315 1.00 0.00 O ATOM 296 CB LYS A 21 -10.222 -11.249 -2.984 1.00 0.00 C ATOM 297 CG LYS A 21 -9.511 -12.142 -3.997 1.00 0.00 C ATOM 298 CD LYS A 21 -9.085 -13.501 -3.419 1.00 0.00 C ATOM 299 CE LYS A 21 -8.347 -13.432 -2.074 1.00 0.00 C ATOM 300 NZ LYS A 21 -7.060 -12.753 -2.141 1.00 0.00 N ATOM 0 HA LYS A 21 -11.795 -10.575 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.478 -10.807 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.872 -11.867 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.170 -12.308 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.629 -11.623 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.973 -14.122 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.443 -14.002 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.980 -12.920 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.193 -14.445 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.622 -12.746 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.438 -13.253 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.200 -11.775 -2.465 1.00 0.00 H new ATOM 313 N ILE A 22 -12.282 -8.295 -3.043 1.00 0.00 N ATOM 314 CA ILE A 22 -12.945 -7.223 -2.418 1.00 0.00 C ATOM 315 C ILE A 22 -12.201 -6.962 -1.096 1.00 0.00 C ATOM 316 O ILE A 22 -12.772 -7.002 -0.015 1.00 0.00 O ATOM 317 CB ILE A 22 -14.487 -7.398 -2.447 1.00 0.00 C ATOM 318 CG1 ILE A 22 -15.084 -8.456 -3.399 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.106 -5.976 -2.249 1.00 0.00 C ATOM 320 CD1 ILE A 22 -14.939 -9.980 -3.120 1.00 0.00 C ATOM 0 H ILE A 22 -12.288 -8.182 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.893 -6.274 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.860 -7.993 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -16.152 -8.248 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.655 -8.273 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.194 -6.048 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.781 -5.568 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -14.776 -5.320 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.431 -10.543 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.882 -10.245 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.402 -10.220 -2.163 1.00 0.00 H new ATOM 332 N LEU A 23 -10.849 -6.761 -1.261 1.00 0.00 N ATOM 333 CA LEU A 23 -10.043 -6.366 -0.126 1.00 0.00 C ATOM 334 C LEU A 23 -10.534 -4.944 0.228 1.00 0.00 C ATOM 335 O LEU A 23 -10.382 -4.471 1.349 1.00 0.00 O ATOM 336 CB LEU A 23 -8.545 -6.373 -0.481 1.00 0.00 C ATOM 337 CG LEU A 23 -7.693 -7.133 0.567 1.00 0.00 C ATOM 338 CD1 LEU A 23 -7.864 -6.454 1.962 1.00 0.00 C ATOM 339 CD2 LEU A 23 -7.111 -8.549 0.322 1.00 0.00 C ATOM 0 H LEU A 23 -10.344 -6.868 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.148 -7.053 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.408 -6.834 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.188 -5.346 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.627 -7.178 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.266 -6.986 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.532 -5.417 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.914 -6.484 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.552 -8.870 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.925 -9.249 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.447 -8.525 -0.542 1.00 0.00 H new ATOM 351 N ASP A 24 -11.160 -4.287 -0.789 1.00 0.00 N ATOM 352 CA ASP A 24 -11.714 -2.973 -0.473 1.00 0.00 C ATOM 353 C ASP A 24 -12.904 -3.196 0.521 1.00 0.00 C ATOM 354 O ASP A 24 -13.282 -2.310 1.271 1.00 0.00 O ATOM 355 CB ASP A 24 -12.117 -2.220 -1.766 1.00 0.00 C ATOM 356 CG ASP A 24 -11.574 -0.771 -1.837 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.507 -0.099 -0.807 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.218 -0.331 -2.930 1.00 0.00 O ATOM 0 H ASP A 24 -11.280 -4.620 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.975 -2.331 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.753 -2.778 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.204 -2.195 -1.838 1.00 0.00 H new ATOM 363 N HIS A 25 -13.453 -4.431 0.551 1.00 0.00 N ATOM 364 CA HIS A 25 -14.578 -4.727 1.448 1.00 0.00 C ATOM 365 C HIS A 25 -14.079 -4.623 2.892 1.00 0.00 C ATOM 366 O HIS A 25 -14.819 -4.275 3.804 1.00 0.00 O ATOM 367 CB HIS A 25 -15.234 -6.114 1.256 1.00 0.00 C ATOM 368 CG HIS A 25 -16.483 -6.243 2.107 1.00 0.00 C ATOM 369 ND1 HIS A 25 -17.324 -5.224 2.392 1.00 0.00 N ATOM 370 CD2 HIS A 25 -16.967 -7.400 2.740 1.00 0.00 C ATOM 371 CE1 HIS A 25 -18.284 -5.744 3.173 1.00 0.00 C ATOM 372 NE2 HIS A 25 -18.096 -7.057 3.401 1.00 0.00 N ATOM 0 H HIS A 25 -13.142 -5.216 -0.021 1.00 0.00 H new ATOM 0 HA HIS A 25 -15.352 -3.999 1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -15.488 -6.259 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -14.524 -6.897 1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -16.520 -8.382 2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -19.111 -5.175 3.572 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -18.687 -7.671 3.961 1.00 0.00 H new ATOM 380 N SER A 26 -12.774 -4.935 3.029 1.00 0.00 N ATOM 381 CA SER A 26 -12.131 -4.911 4.330 1.00 0.00 C ATOM 382 C SER A 26 -12.061 -3.462 4.845 1.00 0.00 C ATOM 383 O SER A 26 -11.897 -3.244 6.041 1.00 0.00 O ATOM 384 CB SER A 26 -10.766 -5.646 4.330 1.00 0.00 C ATOM 385 OG SER A 26 -10.005 -5.754 5.598 1.00 0.00 O ATOM 0 H SER A 26 -12.163 -5.202 2.257 1.00 0.00 H new ATOM 0 HA SER A 26 -12.738 -5.477 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.938 -6.658 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.124 -5.148 3.603 1.00 0.00 H new ATOM 0 HG SER A 26 -9.758 -4.858 5.909 1.00 0.00 H new ATOM 391 N PHE A 27 -12.218 -2.489 3.907 1.00 0.00 N ATOM 392 CA PHE A 27 -12.228 -1.063 4.279 1.00 0.00 C ATOM 393 C PHE A 27 -13.345 -0.888 5.318 1.00 0.00 C ATOM 394 O PHE A 27 -13.190 -0.283 6.370 1.00 0.00 O ATOM 395 CB PHE A 27 -12.371 -0.045 3.077 1.00 0.00 C ATOM 396 CG PHE A 27 -13.763 0.454 2.669 1.00 0.00 C ATOM 397 CD1 PHE A 27 -14.582 1.146 3.561 1.00 0.00 C ATOM 398 CD2 PHE A 27 -14.269 0.238 1.385 1.00 0.00 C ATOM 399 CE1 PHE A 27 -15.873 1.530 3.222 1.00 0.00 C ATOM 400 CE2 PHE A 27 -15.563 0.612 1.036 1.00 0.00 C ATOM 401 CZ PHE A 27 -16.371 1.257 1.959 1.00 0.00 C ATOM 0 H PHE A 27 -12.336 -2.669 2.910 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.249 -0.809 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.768 0.831 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.921 -0.510 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.202 1.390 4.542 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.639 -0.232 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -16.490 2.043 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.938 0.400 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.378 1.544 1.696 1.00 0.00 H new ATOM 411 N THR A 28 -14.469 -1.498 4.907 1.00 0.00 N ATOM 412 CA THR A 28 -15.739 -1.464 5.614 1.00 0.00 C ATOM 413 C THR A 28 -15.709 -2.245 6.909 1.00 0.00 C ATOM 414 O THR A 28 -16.385 -1.930 7.881 1.00 0.00 O ATOM 415 CB THR A 28 -16.820 -1.948 4.592 1.00 0.00 C ATOM 416 OG1 THR A 28 -16.461 -1.938 3.169 1.00 0.00 O ATOM 417 CG2 THR A 28 -18.177 -1.255 4.858 1.00 0.00 C ATOM 0 H THR A 28 -14.509 -2.043 4.046 1.00 0.00 H new ATOM 0 HA THR A 28 -15.979 -0.456 5.951 1.00 0.00 H new ATOM 0 HB THR A 28 -16.901 -3.016 4.794 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.348 -1.013 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.913 -1.607 4.135 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.516 -1.493 5.866 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.060 -0.176 4.760 1.00 0.00 H new ATOM 425 N ASN A 29 -14.881 -3.270 6.838 1.00 0.00 N ATOM 426 CA ASN A 29 -14.671 -4.209 7.901 1.00 0.00 C ATOM 427 C ASN A 29 -13.623 -3.639 8.856 1.00 0.00 C ATOM 428 O ASN A 29 -13.191 -4.337 9.765 1.00 0.00 O ATOM 429 CB ASN A 29 -14.295 -5.606 7.377 1.00 0.00 C ATOM 430 CG ASN A 29 -15.327 -6.129 6.357 1.00 0.00 C ATOM 431 OD1 ASN A 29 -16.494 -5.755 6.366 1.00 0.00 O ATOM 432 ND2 ASN A 29 -14.818 -7.011 5.481 1.00 0.00 N ATOM 0 H ASN A 29 -14.323 -3.470 6.008 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.604 -4.352 8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.310 -5.567 6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.225 -6.302 8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.415 -7.417 4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.834 -7.275 5.536 1.00 0.00 H new ATOM 439 N ALA A 30 -13.233 -2.360 8.628 1.00 0.00 N ATOM 440 CA ALA A 30 -12.277 -1.709 9.471 1.00 0.00 C ATOM 441 C ALA A 30 -12.888 -0.366 9.894 1.00 0.00 C ATOM 442 O ALA A 30 -12.274 0.383 10.644 1.00 0.00 O ATOM 443 CB ALA A 30 -10.951 -1.577 8.725 1.00 0.00 C ATOM 0 H ALA A 30 -13.582 -1.785 7.861 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.055 -2.279 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.221 -1.081 9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.584 -2.568 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.100 -0.988 7.820 1.00 0.00 H new ATOM 449 N GLY A 31 -14.121 -0.096 9.387 1.00 0.00 N ATOM 450 CA GLY A 31 -14.830 1.140 9.681 1.00 0.00 C ATOM 451 C GLY A 31 -14.041 2.365 9.201 1.00 0.00 C ATOM 452 O GLY A 31 -14.141 3.447 9.767 1.00 0.00 O ATOM 0 H GLY A 31 -14.630 -0.732 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.808 1.124 9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.004 1.215 10.754 1.00 0.00 H new ATOM 456 N PHE A 32 -13.251 2.109 8.130 1.00 0.00 N ATOM 457 CA PHE A 32 -12.408 3.169 7.585 1.00 0.00 C ATOM 458 C PHE A 32 -13.053 3.649 6.277 1.00 0.00 C ATOM 459 O PHE A 32 -14.199 3.345 5.970 1.00 0.00 O ATOM 460 CB PHE A 32 -10.961 2.654 7.472 1.00 0.00 C ATOM 461 CG PHE A 32 -10.263 2.421 8.799 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.461 3.248 9.907 1.00 0.00 C ATOM 463 CD2 PHE A 32 -9.377 1.355 8.929 1.00 0.00 C ATOM 464 CE1 PHE A 32 -9.808 3.005 11.108 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.721 1.111 10.129 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.936 1.934 11.221 1.00 0.00 C ATOM 0 H PHE A 32 -13.188 1.211 7.651 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.340 4.044 8.231 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.966 1.719 6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.379 3.371 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.133 4.090 9.828 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.197 0.708 8.084 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.980 3.652 11.956 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.041 0.276 10.210 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.428 1.743 12.155 1.00 0.00 H new ATOM 476 N ASN A 33 -12.231 4.447 5.550 1.00 0.00 N ATOM 477 CA ASN A 33 -12.627 5.078 4.305 1.00 0.00 C ATOM 478 C ASN A 33 -12.203 4.165 3.154 1.00 0.00 C ATOM 479 O ASN A 33 -11.205 3.451 3.177 1.00 0.00 O ATOM 480 CB ASN A 33 -11.972 6.470 4.187 1.00 0.00 C ATOM 481 CG ASN A 33 -12.553 7.288 3.022 1.00 0.00 C ATOM 482 OD1 ASN A 33 -13.701 7.714 3.046 1.00 0.00 O ATOM 483 ND2 ASN A 33 -11.687 7.470 2.008 1.00 0.00 N ATOM 0 H ASN A 33 -11.273 4.660 5.829 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.707 5.222 4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.114 7.017 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.897 6.353 4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.972 7.996 1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.746 7.082 2.065 1.00 0.00 H new ATOM 490 N VAL A 34 -13.066 4.323 2.132 1.00 0.00 N ATOM 491 CA VAL A 34 -13.008 3.616 0.869 1.00 0.00 C ATOM 492 C VAL A 34 -12.364 4.524 -0.173 1.00 0.00 C ATOM 493 O VAL A 34 -12.795 5.640 -0.434 1.00 0.00 O ATOM 494 CB VAL A 34 -14.428 3.239 0.353 1.00 0.00 C ATOM 495 CG1 VAL A 34 -15.507 4.245 0.939 1.00 0.00 C ATOM 496 CG2 VAL A 34 -14.222 2.517 -1.045 1.00 0.00 C ATOM 0 H VAL A 34 -13.848 4.976 2.181 1.00 0.00 H new ATOM 0 HA VAL A 34 -12.433 2.703 1.024 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.104 2.453 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.496 3.972 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.498 4.195 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.269 5.260 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.191 2.230 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -13.724 3.197 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.608 1.627 -0.908 1.00 0.00 H new ATOM 506 N VAL A 35 -11.303 3.927 -0.738 1.00 0.00 N ATOM 507 CA VAL A 35 -10.554 4.535 -1.814 1.00 0.00 C ATOM 508 C VAL A 35 -10.220 3.390 -2.776 1.00 0.00 C ATOM 509 O VAL A 35 -9.804 2.313 -2.368 1.00 0.00 O ATOM 510 CB VAL A 35 -9.301 5.292 -1.280 1.00 0.00 C ATOM 511 CG1 VAL A 35 -8.828 6.302 -2.364 1.00 0.00 C ATOM 512 CG2 VAL A 35 -8.997 5.544 0.209 1.00 0.00 C ATOM 0 H VAL A 35 -10.953 3.013 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.123 5.306 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.571 4.502 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.951 6.839 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.573 5.763 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.628 7.012 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.061 6.094 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.805 6.126 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.910 4.590 0.729 1.00 0.00 H new ATOM 522 N ASN A 36 -10.469 3.678 -4.063 1.00 0.00 N ATOM 523 CA ASN A 36 -10.199 2.704 -5.114 1.00 0.00 C ATOM 524 C ASN A 36 -9.593 3.534 -6.251 1.00 0.00 C ATOM 525 O ASN A 36 -10.103 4.589 -6.609 1.00 0.00 O ATOM 526 CB ASN A 36 -11.504 1.988 -5.514 1.00 0.00 C ATOM 527 CG ASN A 36 -11.259 0.785 -6.441 1.00 0.00 C ATOM 528 OD1 ASN A 36 -10.134 0.427 -6.768 1.00 0.00 O ATOM 529 ND2 ASN A 36 -12.397 0.185 -6.832 1.00 0.00 N ATOM 0 H ASN A 36 -10.851 4.565 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.518 1.907 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.019 1.650 -4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.165 2.697 -6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.360 -0.629 -7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.298 0.544 -6.516 1.00 0.00 H new ATOM 536 N ILE A 37 -8.475 2.990 -6.786 1.00 0.00 N ATOM 537 CA ILE A 37 -7.745 3.648 -7.864 1.00 0.00 C ATOM 538 C ILE A 37 -7.944 2.837 -9.157 1.00 0.00 C ATOM 539 O ILE A 37 -7.751 3.364 -10.245 1.00 0.00 O ATOM 540 CB ILE A 37 -6.250 3.824 -7.478 1.00 0.00 C ATOM 541 CG1 ILE A 37 -6.031 5.207 -6.735 1.00 0.00 C ATOM 542 CG2 ILE A 37 -5.611 2.402 -7.234 1.00 0.00 C ATOM 543 CD1 ILE A 37 -4.581 5.511 -6.294 1.00 0.00 C ATOM 0 H ILE A 37 -8.071 2.104 -6.483 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.131 4.653 -8.035 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.463 4.091 -8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.366 6.009 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.671 5.230 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.562 2.516 -6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.142 1.898 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.688 1.808 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.548 6.481 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.241 4.738 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.931 5.529 -7.169 1.00 0.00 H new ATOM 555 N GLY A 38 -8.334 1.549 -8.998 1.00 0.00 N ATOM 556 CA GLY A 38 -8.557 0.678 -10.149 1.00 0.00 C ATOM 557 C GLY A 38 -7.350 -0.243 -10.360 1.00 0.00 C ATOM 558 O GLY A 38 -6.964 -0.984 -9.467 1.00 0.00 O ATOM 0 H GLY A 38 -8.495 1.107 -8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.456 0.081 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.725 1.280 -11.042 1.00 0.00 H new ATOM 562 N VAL A 39 -6.786 -0.157 -11.587 1.00 0.00 N ATOM 563 CA VAL A 39 -5.623 -0.973 -11.930 1.00 0.00 C ATOM 564 C VAL A 39 -4.699 -0.173 -12.867 1.00 0.00 C ATOM 565 O VAL A 39 -5.032 0.142 -14.003 1.00 0.00 O ATOM 566 CB VAL A 39 -6.059 -2.342 -12.565 1.00 0.00 C ATOM 567 CG1 VAL A 39 -6.528 -3.305 -11.428 1.00 0.00 C ATOM 568 CG2 VAL A 39 -6.471 -2.553 -14.047 1.00 0.00 C ATOM 0 H VAL A 39 -7.115 0.457 -12.332 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.070 -1.214 -11.022 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.184 -2.704 -13.105 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.832 -4.258 -11.861 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.708 -3.469 -10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.371 -2.861 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.724 -3.601 -14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.337 -1.931 -14.276 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.642 -2.275 -14.698 1.00 0.00 H new ATOM 578 N LEU A 40 -3.519 0.125 -12.285 1.00 0.00 N ATOM 579 CA LEU A 40 -2.447 0.859 -12.939 1.00 0.00 C ATOM 580 C LEU A 40 -1.320 0.810 -11.899 1.00 0.00 C ATOM 581 O LEU A 40 -1.558 0.983 -10.708 1.00 0.00 O ATOM 582 CB LEU A 40 -2.867 2.310 -13.280 1.00 0.00 C ATOM 583 CG LEU A 40 -2.005 3.017 -14.379 1.00 0.00 C ATOM 584 CD1 LEU A 40 -2.606 4.429 -14.653 1.00 0.00 C ATOM 585 CD2 LEU A 40 -0.587 2.592 -14.857 1.00 0.00 C ATOM 0 H LEU A 40 -3.293 -0.149 -11.329 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.157 0.435 -13.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.907 2.302 -13.607 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.824 2.907 -12.369 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.911 2.325 -15.216 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.015 4.934 -15.417 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.635 4.326 -14.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.589 5.016 -13.735 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.244 3.277 -15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.105 2.621 -14.015 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.627 1.580 -15.259 1.00 0.00 H new ATOM 597 N SER A 41 -0.088 0.567 -12.405 1.00 0.00 N ATOM 598 CA SER A 41 1.095 0.482 -11.550 1.00 0.00 C ATOM 599 C SER A 41 1.737 1.887 -11.548 1.00 0.00 C ATOM 600 O SER A 41 2.951 2.043 -11.605 1.00 0.00 O ATOM 601 CB SER A 41 2.034 -0.619 -12.145 1.00 0.00 C ATOM 602 OG SER A 41 3.411 -0.846 -11.643 1.00 0.00 O ATOM 0 H SER A 41 0.101 0.429 -13.398 1.00 0.00 H new ATOM 0 HA SER A 41 0.874 0.200 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.505 -1.567 -12.046 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.121 -0.412 -13.212 1.00 0.00 H new ATOM 0 HG SER A 41 3.768 -0.010 -11.277 1.00 0.00 H new ATOM 608 N SER A 42 0.831 2.891 -11.504 1.00 0.00 N ATOM 609 CA SER A 42 1.122 4.314 -11.494 1.00 0.00 C ATOM 610 C SER A 42 1.227 4.635 -9.989 1.00 0.00 C ATOM 611 O SER A 42 0.243 4.955 -9.332 1.00 0.00 O ATOM 612 CB SER A 42 -0.117 4.981 -12.210 1.00 0.00 C ATOM 613 OG SER A 42 -0.023 6.177 -13.089 1.00 0.00 O ATOM 0 H SER A 42 -0.171 2.703 -11.473 1.00 0.00 H new ATOM 0 HA SER A 42 2.024 4.657 -12.001 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.580 4.198 -12.810 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.823 5.238 -11.421 1.00 0.00 H new ATOM 0 HG SER A 42 0.795 6.674 -12.879 1.00 0.00 H new ATOM 619 N GLN A 43 2.473 4.538 -9.478 1.00 0.00 N ATOM 620 CA GLN A 43 2.684 4.767 -8.057 1.00 0.00 C ATOM 621 C GLN A 43 2.972 6.257 -7.839 1.00 0.00 C ATOM 622 O GLN A 43 2.255 6.934 -7.118 1.00 0.00 O ATOM 623 CB GLN A 43 3.811 3.843 -7.545 1.00 0.00 C ATOM 624 CG GLN A 43 3.896 3.719 -6.013 1.00 0.00 C ATOM 625 CD GLN A 43 2.629 3.089 -5.414 1.00 0.00 C ATOM 626 OE1 GLN A 43 1.862 3.726 -4.703 1.00 0.00 O ATOM 627 NE2 GLN A 43 2.467 1.796 -5.752 1.00 0.00 N ATOM 0 H GLN A 43 3.310 4.311 -10.014 1.00 0.00 H new ATOM 0 HA GLN A 43 1.795 4.518 -7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.668 2.849 -7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.765 4.215 -7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.762 3.114 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.050 4.706 -5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.153 1.336 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.658 1.277 -5.410 1.00 0.00 H new ATOM 636 N GLU A 44 4.044 6.722 -8.513 1.00 0.00 N ATOM 637 CA GLU A 44 4.556 8.085 -8.420 1.00 0.00 C ATOM 638 C GLU A 44 3.506 9.128 -8.851 1.00 0.00 C ATOM 639 O GLU A 44 3.619 10.291 -8.484 1.00 0.00 O ATOM 640 CB GLU A 44 5.832 8.211 -9.277 1.00 0.00 C ATOM 641 CG GLU A 44 5.590 7.960 -10.778 1.00 0.00 C ATOM 642 CD GLU A 44 6.907 8.053 -11.566 1.00 0.00 C ATOM 643 OE1 GLU A 44 7.579 7.032 -11.715 1.00 0.00 O ATOM 644 OE2 GLU A 44 7.246 9.144 -12.023 1.00 0.00 O ATOM 0 H GLU A 44 4.584 6.137 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 44 4.794 8.289 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.251 9.209 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.576 7.502 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.145 6.975 -10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.878 8.690 -11.163 1.00 0.00 H new ATOM 651 N ASP A 45 2.492 8.705 -9.630 1.00 0.00 N ATOM 652 CA ASP A 45 1.508 9.678 -10.087 1.00 0.00 C ATOM 653 C ASP A 45 0.409 9.754 -9.044 1.00 0.00 C ATOM 654 O ASP A 45 -0.094 10.832 -8.749 1.00 0.00 O ATOM 655 CB ASP A 45 0.945 9.264 -11.459 1.00 0.00 C ATOM 656 CG ASP A 45 2.075 9.007 -12.473 1.00 0.00 C ATOM 657 OD1 ASP A 45 2.576 9.970 -13.053 1.00 0.00 O ATOM 658 OD2 ASP A 45 2.442 7.848 -12.671 1.00 0.00 O ATOM 0 H ASP A 45 2.343 7.744 -9.938 1.00 0.00 H new ATOM 0 HA ASP A 45 1.967 10.659 -10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.340 8.364 -11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.287 10.047 -11.836 1.00 0.00 H new ATOM 663 N PHE A 46 0.067 8.571 -8.491 1.00 0.00 N ATOM 664 CA PHE A 46 -0.987 8.547 -7.498 1.00 0.00 C ATOM 665 C PHE A 46 -0.368 8.766 -6.110 1.00 0.00 C ATOM 666 O PHE A 46 -1.035 8.561 -5.105 1.00 0.00 O ATOM 667 CB PHE A 46 -1.854 7.293 -7.652 1.00 0.00 C ATOM 668 CG PHE A 46 -2.728 7.415 -8.877 1.00 0.00 C ATOM 669 CD1 PHE A 46 -2.198 7.202 -10.145 1.00 0.00 C ATOM 670 CD2 PHE A 46 -4.073 7.758 -8.765 1.00 0.00 C ATOM 671 CE1 PHE A 46 -2.990 7.313 -11.279 1.00 0.00 C ATOM 672 CE2 PHE A 46 -4.871 7.870 -9.896 1.00 0.00 C ATOM 673 CZ PHE A 46 -4.331 7.647 -11.155 1.00 0.00 C ATOM 0 H PHE A 46 0.491 7.670 -8.711 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.690 9.367 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.220 6.410 -7.735 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.474 7.158 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.154 6.946 -10.249 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.500 7.939 -7.789 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.564 7.140 -12.256 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.914 8.131 -9.796 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.952 7.733 -12.034 1.00 0.00 H new ATOM 683 N ILE A 47 0.921 9.194 -6.098 1.00 0.00 N ATOM 684 CA ILE A 47 1.598 9.530 -4.855 1.00 0.00 C ATOM 685 C ILE A 47 1.328 11.035 -4.722 1.00 0.00 C ATOM 686 O ILE A 47 1.135 11.547 -3.626 1.00 0.00 O ATOM 687 CB ILE A 47 3.105 9.099 -4.835 1.00 0.00 C ATOM 688 CG1 ILE A 47 3.451 7.931 -3.881 1.00 0.00 C ATOM 689 CG2 ILE A 47 4.036 10.254 -5.321 1.00 0.00 C ATOM 690 CD1 ILE A 47 2.523 6.697 -3.924 1.00 0.00 C ATOM 0 H ILE A 47 1.493 9.308 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 47 1.230 8.984 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 47 3.475 8.418 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.466 7.601 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.457 8.316 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.073 9.921 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.770 10.531 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.916 11.118 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.874 5.952 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.507 6.996 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.532 6.270 -4.927 1.00 0.00 H new ATOM 702 N ASN A 48 1.287 11.702 -5.916 1.00 0.00 N ATOM 703 CA ASN A 48 0.976 13.122 -5.938 1.00 0.00 C ATOM 704 C ASN A 48 -0.537 13.232 -5.627 1.00 0.00 C ATOM 705 O ASN A 48 -1.001 14.222 -5.071 1.00 0.00 O ATOM 706 CB ASN A 48 1.348 13.718 -7.308 1.00 0.00 C ATOM 707 CG ASN A 48 1.102 15.234 -7.352 1.00 0.00 C ATOM 708 OD1 ASN A 48 0.161 15.716 -7.971 1.00 0.00 O ATOM 709 ND2 ASN A 48 2.008 15.943 -6.655 1.00 0.00 N ATOM 0 H ASN A 48 1.461 11.279 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 48 1.546 13.689 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.397 13.513 -7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.763 13.231 -8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.939 16.960 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.764 15.464 -6.166 1.00 0.00 H new ATOM 716 N ALA A 49 -1.269 12.151 -5.999 1.00 0.00 N ATOM 717 CA ALA A 49 -2.696 12.103 -5.752 1.00 0.00 C ATOM 718 C ALA A 49 -2.901 11.604 -4.315 1.00 0.00 C ATOM 719 O ALA A 49 -3.979 11.778 -3.783 1.00 0.00 O ATOM 720 CB ALA A 49 -3.417 11.194 -6.758 1.00 0.00 C ATOM 0 H ALA A 49 -0.886 11.326 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.125 13.097 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.485 11.184 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.257 11.570 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.022 10.181 -6.681 1.00 0.00 H new ATOM 726 N ALA A 50 -1.861 10.994 -3.692 1.00 0.00 N ATOM 727 CA ALA A 50 -1.997 10.497 -2.323 1.00 0.00 C ATOM 728 C ALA A 50 -1.851 11.672 -1.356 1.00 0.00 C ATOM 729 O ALA A 50 -2.061 11.498 -0.165 1.00 0.00 O ATOM 730 CB ALA A 50 -0.968 9.399 -2.016 1.00 0.00 C ATOM 0 H ALA A 50 -0.945 10.843 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.982 10.046 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.099 9.054 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.112 8.564 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.038 9.799 -2.138 1.00 0.00 H new ATOM 736 N ILE A 51 -1.479 12.859 -1.886 1.00 0.00 N ATOM 737 CA ILE A 51 -1.391 14.039 -1.036 1.00 0.00 C ATOM 738 C ILE A 51 -2.840 14.561 -0.969 1.00 0.00 C ATOM 739 O ILE A 51 -3.349 14.929 0.083 1.00 0.00 O ATOM 740 CB ILE A 51 -0.420 15.107 -1.641 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.809 14.567 -2.394 1.00 0.00 C ATOM 742 CG2 ILE A 51 -0.542 16.436 -0.826 1.00 0.00 C ATOM 743 CD1 ILE A 51 1.786 15.619 -2.965 1.00 0.00 C ATOM 0 H ILE A 51 -1.244 13.011 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.986 13.814 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.653 15.534 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.365 13.917 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.458 13.945 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.133 17.183 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.567 16.803 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.277 16.250 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.609 15.114 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.260 16.257 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.180 16.229 -2.152 1.00 0.00 H new ATOM 755 N GLU A 52 -3.454 14.535 -2.176 1.00 0.00 N ATOM 756 CA GLU A 52 -4.814 14.976 -2.421 1.00 0.00 C ATOM 757 C GLU A 52 -5.790 14.129 -1.577 1.00 0.00 C ATOM 758 O GLU A 52 -6.466 14.655 -0.702 1.00 0.00 O ATOM 759 CB GLU A 52 -5.093 14.925 -3.939 1.00 0.00 C ATOM 760 CG GLU A 52 -6.575 15.077 -4.315 1.00 0.00 C ATOM 761 CD GLU A 52 -6.743 15.129 -5.844 1.00 0.00 C ATOM 762 OE1 GLU A 52 -6.712 14.073 -6.475 1.00 0.00 O ATOM 763 OE2 GLU A 52 -6.902 16.223 -6.385 1.00 0.00 O ATOM 0 H GLU A 52 -2.989 14.194 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.959 16.010 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.523 15.715 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.726 13.977 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.146 14.242 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.978 15.986 -3.868 1.00 0.00 H new ATOM 770 N THR A 53 -5.833 12.808 -1.881 1.00 0.00 N ATOM 771 CA THR A 53 -6.721 11.863 -1.223 1.00 0.00 C ATOM 772 C THR A 53 -6.365 11.820 0.259 1.00 0.00 C ATOM 773 O THR A 53 -7.225 11.894 1.127 1.00 0.00 O ATOM 774 CB THR A 53 -6.694 10.439 -1.894 1.00 0.00 C ATOM 775 OG1 THR A 53 -5.870 10.219 -3.081 1.00 0.00 O ATOM 776 CG2 THR A 53 -8.139 9.909 -2.097 1.00 0.00 C ATOM 0 H THR A 53 -5.243 12.383 -2.596 1.00 0.00 H new ATOM 0 HA THR A 53 -7.751 12.201 -1.335 1.00 0.00 H new ATOM 0 HB THR A 53 -6.146 9.851 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.002 10.658 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.103 8.924 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.639 9.837 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.691 10.594 -2.741 1.00 0.00 H new ATOM 784 N LYS A 54 -5.041 11.690 0.456 1.00 0.00 N ATOM 785 CA LYS A 54 -4.430 11.615 1.778 1.00 0.00 C ATOM 786 C LYS A 54 -4.536 10.138 2.182 1.00 0.00 C ATOM 787 O LYS A 54 -5.056 9.782 3.233 1.00 0.00 O ATOM 788 CB LYS A 54 -5.039 12.603 2.798 1.00 0.00 C ATOM 789 CG LYS A 54 -4.114 12.854 3.992 1.00 0.00 C ATOM 790 CD LYS A 54 -4.682 13.884 4.976 1.00 0.00 C ATOM 791 CE LYS A 54 -3.758 14.122 6.176 1.00 0.00 C ATOM 792 NZ LYS A 54 -2.474 14.701 5.798 1.00 0.00 N ATOM 0 H LYS A 54 -4.368 11.634 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.388 11.935 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.251 13.550 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.991 12.211 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.941 11.914 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.146 13.200 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.846 14.827 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.654 13.544 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.255 14.784 6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.587 13.176 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.028 15.132 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.854 13.955 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.622 15.429 5.070 1.00 0.00 H new ATOM 805 N ALA A 55 -3.993 9.315 1.253 1.00 0.00 N ATOM 806 CA ALA A 55 -3.981 7.874 1.372 1.00 0.00 C ATOM 807 C ALA A 55 -3.037 7.515 2.524 1.00 0.00 C ATOM 808 O ALA A 55 -1.873 7.896 2.539 1.00 0.00 O ATOM 809 CB ALA A 55 -3.529 7.233 0.052 1.00 0.00 C ATOM 0 H ALA A 55 -3.552 9.656 0.399 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.980 7.492 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.525 6.148 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.216 7.518 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.525 7.577 -0.195 1.00 0.00 H new ATOM 815 N ASP A 56 -3.621 6.753 3.479 1.00 0.00 N ATOM 816 CA ASP A 56 -2.885 6.309 4.651 1.00 0.00 C ATOM 817 C ASP A 56 -2.166 5.031 4.211 1.00 0.00 C ATOM 818 O ASP A 56 -1.003 5.073 3.827 1.00 0.00 O ATOM 819 CB ASP A 56 -3.842 6.151 5.850 1.00 0.00 C ATOM 820 CG ASP A 56 -3.128 5.617 7.108 1.00 0.00 C ATOM 821 OD1 ASP A 56 -2.635 6.423 7.896 1.00 0.00 O ATOM 822 OD2 ASP A 56 -3.077 4.401 7.285 1.00 0.00 O ATOM 0 H ASP A 56 -4.592 6.443 3.447 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.143 7.023 5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.298 7.115 6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.650 5.472 5.579 1.00 0.00 H new ATOM 827 N LEU A 57 -2.914 3.903 4.286 1.00 0.00 N ATOM 828 CA LEU A 57 -2.341 2.627 3.895 1.00 0.00 C ATOM 829 C LEU A 57 -2.822 2.360 2.469 1.00 0.00 C ATOM 830 O LEU A 57 -3.921 2.728 2.072 1.00 0.00 O ATOM 831 CB LEU A 57 -2.617 1.510 4.919 1.00 0.00 C ATOM 832 CG LEU A 57 -4.114 1.120 5.131 1.00 0.00 C ATOM 833 CD1 LEU A 57 -4.483 -0.055 4.173 1.00 0.00 C ATOM 834 CD2 LEU A 57 -4.801 1.340 6.495 1.00 0.00 C ATOM 0 H LEU A 57 -3.882 3.866 4.605 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.251 2.653 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.072 0.619 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.204 1.817 5.880 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.751 1.949 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.528 -0.329 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.331 0.257 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.849 -0.914 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.837 1.006 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.277 0.770 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.775 2.400 6.749 1.00 0.00 H new ATOM 846 N ILE A 58 -1.900 1.712 1.724 1.00 0.00 N ATOM 847 CA ILE A 58 -2.158 1.375 0.328 1.00 0.00 C ATOM 848 C ILE A 58 -1.791 -0.111 0.203 1.00 0.00 C ATOM 849 O ILE A 58 -0.843 -0.603 0.802 1.00 0.00 O ATOM 850 CB ILE A 58 -1.401 2.346 -0.640 1.00 0.00 C ATOM 851 CG1 ILE A 58 -0.772 3.616 0.061 1.00 0.00 C ATOM 852 CG2 ILE A 58 -1.091 1.634 -2.008 1.00 0.00 C ATOM 853 CD1 ILE A 58 -0.182 4.669 -0.901 1.00 0.00 C ATOM 0 H ILE A 58 -0.986 1.420 2.070 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.198 1.510 0.030 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.749 3.187 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.539 4.093 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.014 3.285 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.565 2.325 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.468 0.758 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.025 1.325 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.225 5.500 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.612 4.216 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.966 5.036 -1.564 1.00 0.00 H new ATOM 865 N CYS A 59 -2.632 -0.777 -0.620 1.00 0.00 N ATOM 866 CA CYS A 59 -2.503 -2.193 -0.903 1.00 0.00 C ATOM 867 C CYS A 59 -2.541 -2.319 -2.431 1.00 0.00 C ATOM 868 O CYS A 59 -3.391 -1.765 -3.120 1.00 0.00 O ATOM 869 CB CYS A 59 -3.646 -2.978 -0.240 1.00 0.00 C ATOM 870 SG CYS A 59 -3.432 -3.196 1.541 1.00 0.00 S ATOM 0 H CYS A 59 -3.415 -0.332 -1.099 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.577 -2.607 -0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.587 -2.459 -0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.724 -3.958 -0.711 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.534 -3.653 2.058 1.00 0.00 H new ATOM 876 N VAL A 60 -1.539 -3.102 -2.888 1.00 0.00 N ATOM 877 CA VAL A 60 -1.329 -3.416 -4.292 1.00 0.00 C ATOM 878 C VAL A 60 -1.519 -4.934 -4.439 1.00 0.00 C ATOM 879 O VAL A 60 -0.989 -5.695 -3.637 1.00 0.00 O ATOM 880 CB VAL A 60 0.083 -2.914 -4.738 1.00 0.00 C ATOM 881 CG1 VAL A 60 1.219 -3.689 -3.999 1.00 0.00 C ATOM 882 CG2 VAL A 60 0.347 -1.917 -5.914 1.00 0.00 C ATOM 0 H VAL A 60 -0.851 -3.533 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.040 -2.912 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 60 0.123 -1.826 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.188 -3.317 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.121 -3.540 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.141 -4.752 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.418 -1.739 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.032 -2.342 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.161 -0.974 -5.713 1.00 0.00 H new ATOM 892 N SER A 61 -2.305 -5.338 -5.474 1.00 0.00 N ATOM 893 CA SER A 61 -2.541 -6.768 -5.669 1.00 0.00 C ATOM 894 C SER A 61 -1.798 -7.175 -6.945 1.00 0.00 C ATOM 895 O SER A 61 -2.293 -7.139 -8.069 1.00 0.00 O ATOM 896 CB SER A 61 -4.084 -6.980 -5.628 1.00 0.00 C ATOM 897 OG SER A 61 -4.924 -5.886 -5.077 1.00 0.00 O ATOM 0 H SER A 61 -2.758 -4.719 -6.146 1.00 0.00 H new ATOM 0 HA SER A 61 -2.147 -7.429 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.421 -7.179 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.282 -7.879 -5.045 1.00 0.00 H new ATOM 0 HG SER A 61 -5.867 -6.149 -5.112 1.00 0.00 H new ATOM 903 N SER A 62 -0.544 -7.582 -6.671 1.00 0.00 N ATOM 904 CA SER A 62 0.329 -7.970 -7.757 1.00 0.00 C ATOM 905 C SER A 62 0.935 -9.311 -7.368 1.00 0.00 C ATOM 906 O SER A 62 0.730 -9.852 -6.287 1.00 0.00 O ATOM 907 CB SER A 62 1.456 -6.899 -7.902 1.00 0.00 C ATOM 908 OG SER A 62 2.585 -7.101 -8.839 1.00 0.00 O ATOM 0 H SER A 62 -0.138 -7.645 -5.737 1.00 0.00 H new ATOM 0 HA SER A 62 -0.206 -8.046 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.973 -5.963 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.886 -6.752 -6.911 1.00 0.00 H new ATOM 0 HG SER A 62 3.408 -7.256 -8.331 1.00 0.00 H new ATOM 914 N LEU A 63 1.716 -9.780 -8.362 1.00 0.00 N ATOM 915 CA LEU A 63 2.421 -11.026 -8.311 1.00 0.00 C ATOM 916 C LEU A 63 3.707 -10.817 -9.131 1.00 0.00 C ATOM 917 O LEU A 63 4.034 -11.575 -10.037 1.00 0.00 O ATOM 918 CB LEU A 63 1.514 -12.177 -8.794 1.00 0.00 C ATOM 919 CG LEU A 63 0.855 -11.990 -10.211 1.00 0.00 C ATOM 920 CD1 LEU A 63 0.721 -13.396 -10.866 1.00 0.00 C ATOM 921 CD2 LEU A 63 -0.132 -10.874 -10.623 1.00 0.00 C ATOM 0 H LEU A 63 1.861 -9.271 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 63 2.701 -11.324 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.102 -13.095 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.719 -12.318 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 63 1.552 -11.307 -10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.266 -13.296 -11.852 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.709 -13.846 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.094 -14.031 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.415 -11.006 -11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.022 -10.926 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.345 -9.902 -10.497 1.00 0.00 H new ATOM 933 N TYR A 64 4.403 -9.726 -8.728 1.00 0.00 N ATOM 934 CA TYR A 64 5.671 -9.260 -9.283 1.00 0.00 C ATOM 935 C TYR A 64 5.463 -8.929 -10.775 1.00 0.00 C ATOM 936 O TYR A 64 6.222 -9.346 -11.642 1.00 0.00 O ATOM 937 CB TYR A 64 6.827 -10.248 -9.015 1.00 0.00 C ATOM 938 CG TYR A 64 8.133 -9.567 -8.664 1.00 0.00 C ATOM 939 CD1 TYR A 64 8.541 -8.371 -9.254 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.954 -10.136 -7.701 1.00 0.00 C ATOM 941 CE1 TYR A 64 9.729 -7.758 -8.879 1.00 0.00 C ATOM 942 CE2 TYR A 64 10.143 -9.536 -7.311 1.00 0.00 C ATOM 943 CZ TYR A 64 10.551 -8.337 -7.905 1.00 0.00 C ATOM 944 OH TYR A 64 11.738 -7.718 -7.519 1.00 0.00 O ATOM 0 H TYR A 64 4.069 -9.128 -7.972 1.00 0.00 H new ATOM 0 HA TYR A 64 5.983 -8.347 -8.776 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.543 -10.915 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.976 -10.869 -9.898 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.924 -7.915 -10.014 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.660 -11.069 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 64 10.021 -6.827 -9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.754 -9.995 -6.548 1.00 0.00 H new ATOM 0 HH TYR A 64 12.181 -8.259 -6.832 1.00 0.00 H new ATOM 954 N GLY A 65 4.386 -8.151 -10.998 1.00 0.00 N ATOM 955 CA GLY A 65 3.986 -7.665 -12.316 1.00 0.00 C ATOM 956 C GLY A 65 3.760 -6.141 -12.266 1.00 0.00 C ATOM 957 O GLY A 65 3.420 -5.515 -13.262 1.00 0.00 O ATOM 0 H GLY A 65 3.765 -7.842 -10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.755 -7.904 -13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.073 -8.167 -12.637 1.00 0.00 H new ATOM 961 N GLN A 66 3.974 -5.595 -11.042 1.00 0.00 N ATOM 962 CA GLN A 66 3.844 -4.177 -10.765 1.00 0.00 C ATOM 963 C GLN A 66 5.251 -3.560 -10.887 1.00 0.00 C ATOM 964 O GLN A 66 5.416 -2.358 -10.727 1.00 0.00 O ATOM 965 CB GLN A 66 3.264 -3.983 -9.349 1.00 0.00 C ATOM 966 CG GLN A 66 4.224 -4.407 -8.219 1.00 0.00 C ATOM 967 CD GLN A 66 3.545 -4.349 -6.846 1.00 0.00 C ATOM 968 OE1 GLN A 66 2.357 -4.081 -6.726 1.00 0.00 O ATOM 969 NE2 GLN A 66 4.379 -4.621 -5.826 1.00 0.00 N ATOM 0 H GLN A 66 4.243 -6.146 -10.227 1.00 0.00 H new ATOM 0 HA GLN A 66 3.167 -3.689 -11.466 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.001 -2.934 -9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.341 -4.556 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.581 -5.420 -8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.098 -3.756 -8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.359 -4.835 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.032 -4.613 -4.867 1.00 0.00 H new ATOM 978 N GLY A 67 6.248 -4.441 -11.148 1.00 0.00 N ATOM 979 CA GLY A 67 7.637 -4.031 -11.291 1.00 0.00 C ATOM 980 C GLY A 67 8.212 -3.508 -9.968 1.00 0.00 C ATOM 981 O GLY A 67 7.529 -3.411 -8.955 1.00 0.00 O ATOM 0 H GLY A 67 6.098 -5.443 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.232 -4.876 -11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.711 -3.255 -12.052 1.00 0.00 H new ATOM 985 N GLU A 68 9.518 -3.169 -10.060 1.00 0.00 N ATOM 986 CA GLU A 68 10.226 -2.631 -8.907 1.00 0.00 C ATOM 987 C GLU A 68 10.083 -1.092 -8.928 1.00 0.00 C ATOM 988 O GLU A 68 10.919 -0.375 -8.390 1.00 0.00 O ATOM 989 CB GLU A 68 11.692 -3.096 -8.877 1.00 0.00 C ATOM 990 CG GLU A 68 11.805 -4.618 -8.706 1.00 0.00 C ATOM 991 CD GLU A 68 13.265 -5.045 -8.478 1.00 0.00 C ATOM 992 OE1 GLU A 68 13.706 -5.046 -7.329 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.942 -5.377 -9.450 1.00 0.00 O ATOM 0 H GLU A 68 10.081 -3.260 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 68 9.787 -3.011 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.187 -2.796 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.214 -2.599 -8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.194 -4.938 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.412 -5.116 -9.592 1.00 0.00 H new ATOM 1000 N ILE A 69 8.986 -0.628 -9.575 1.00 0.00 N ATOM 1001 CA ILE A 69 8.650 0.784 -9.703 1.00 0.00 C ATOM 1002 C ILE A 69 7.789 1.068 -8.465 1.00 0.00 C ATOM 1003 O ILE A 69 8.051 1.981 -7.696 1.00 0.00 O ATOM 1004 CB ILE A 69 7.908 1.108 -11.046 1.00 0.00 C ATOM 1005 CG1 ILE A 69 7.643 -0.151 -11.979 1.00 0.00 C ATOM 1006 CG2 ILE A 69 7.123 2.465 -10.879 1.00 0.00 C ATOM 1007 CD1 ILE A 69 8.931 -0.577 -12.694 1.00 0.00 C ATOM 0 H ILE A 69 8.309 -1.245 -10.024 1.00 0.00 H new ATOM 0 HA ILE A 69 9.535 1.420 -9.745 1.00 0.00 H new ATOM 0 HB ILE A 69 8.379 1.447 -11.969 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.262 -0.979 -11.381 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.876 0.090 -12.715 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.603 2.701 -11.807 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.398 2.369 -10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.825 3.265 -10.643 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.727 -1.440 -13.327 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.295 0.246 -13.309 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.688 -0.840 -11.955 1.00 0.00 H new ATOM 1019 N ASP A 70 6.758 0.205 -8.338 1.00 0.00 N ATOM 1020 CA ASP A 70 5.812 0.291 -7.237 1.00 0.00 C ATOM 1021 C ASP A 70 6.545 -0.169 -5.970 1.00 0.00 C ATOM 1022 O ASP A 70 6.207 0.256 -4.872 1.00 0.00 O ATOM 1023 CB ASP A 70 4.571 -0.586 -7.517 1.00 0.00 C ATOM 1024 CG ASP A 70 3.631 0.023 -8.572 1.00 0.00 C ATOM 1025 OD1 ASP A 70 4.066 0.877 -9.343 1.00 0.00 O ATOM 1026 OD2 ASP A 70 2.463 -0.363 -8.604 1.00 0.00 O ATOM 0 H ASP A 70 6.571 -0.555 -8.992 1.00 0.00 H new ATOM 0 HA ASP A 70 5.453 1.313 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.897 -1.570 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.020 -0.733 -6.588 1.00 0.00 H new ATOM 1031 N CYS A 71 7.572 -1.035 -6.165 1.00 0.00 N ATOM 1032 CA CYS A 71 8.334 -1.531 -5.031 1.00 0.00 C ATOM 1033 C CYS A 71 9.107 -0.336 -4.464 1.00 0.00 C ATOM 1034 O CYS A 71 8.919 0.027 -3.312 1.00 0.00 O ATOM 1035 CB CYS A 71 9.263 -2.687 -5.429 1.00 0.00 C ATOM 1036 SG CYS A 71 9.957 -3.562 -4.006 1.00 0.00 S ATOM 0 H CYS A 71 7.872 -1.385 -7.075 1.00 0.00 H new ATOM 0 HA CYS A 71 7.671 -1.948 -4.273 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.710 -3.393 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 71 10.077 -2.297 -6.040 1.00 0.00 H new ATOM 0 HG CYS A 71 11.210 -3.242 -3.869 1.00 0.00 H new ATOM 1042 N LYS A 72 9.945 0.281 -5.338 1.00 0.00 N ATOM 1043 CA LYS A 72 10.755 1.424 -4.922 1.00 0.00 C ATOM 1044 C LYS A 72 9.973 2.719 -5.167 1.00 0.00 C ATOM 1045 O LYS A 72 10.548 3.771 -5.409 1.00 0.00 O ATOM 1046 CB LYS A 72 12.108 1.435 -5.657 1.00 0.00 C ATOM 1047 CG LYS A 72 12.990 0.239 -5.291 1.00 0.00 C ATOM 1048 CD LYS A 72 14.356 0.261 -5.993 1.00 0.00 C ATOM 1049 CE LYS A 72 14.264 -0.052 -7.490 1.00 0.00 C ATOM 1050 NZ LYS A 72 15.573 -0.078 -8.130 1.00 0.00 N ATOM 0 H LYS A 72 10.067 0.003 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 72 10.970 1.343 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.932 1.436 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.638 2.358 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.143 0.225 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.469 -0.682 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.811 1.242 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.016 -0.464 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.775 -1.016 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.638 0.695 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.461 -0.293 -9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.031 0.850 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.163 -0.809 -7.684 1.00 0.00 H new ATOM 1063 N GLY A 73 8.645 2.588 -5.070 1.00 0.00 N ATOM 1064 CA GLY A 73 7.732 3.704 -5.252 1.00 0.00 C ATOM 1065 C GLY A 73 7.302 4.236 -3.886 1.00 0.00 C ATOM 1066 O GLY A 73 7.160 5.434 -3.680 1.00 0.00 O ATOM 0 H GLY A 73 8.181 1.703 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.216 4.494 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.859 3.385 -5.821 1.00 0.00 H new ATOM 1070 N LEU A 74 7.122 3.251 -2.975 1.00 0.00 N ATOM 1071 CA LEU A 74 6.720 3.531 -1.610 1.00 0.00 C ATOM 1072 C LEU A 74 7.994 3.726 -0.782 1.00 0.00 C ATOM 1073 O LEU A 74 7.967 4.379 0.254 1.00 0.00 O ATOM 1074 CB LEU A 74 5.845 2.391 -1.068 1.00 0.00 C ATOM 1075 CG LEU A 74 4.535 2.192 -1.897 1.00 0.00 C ATOM 1076 CD1 LEU A 74 3.694 3.495 -1.924 1.00 0.00 C ATOM 1077 CD2 LEU A 74 4.062 0.956 -2.719 1.00 0.00 C ATOM 0 H LEU A 74 7.253 2.260 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 74 6.116 4.437 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.418 1.464 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.586 2.599 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 74 4.583 1.107 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.788 3.331 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.425 3.775 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.278 4.295 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.093 1.169 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.788 0.741 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.973 0.093 -2.059 1.00 0.00 H new ATOM 1089 N ARG A 75 9.109 3.139 -1.274 1.00 0.00 N ATOM 1090 CA ARG A 75 10.378 3.291 -0.574 1.00 0.00 C ATOM 1091 C ARG A 75 10.864 4.712 -0.902 1.00 0.00 C ATOM 1092 O ARG A 75 11.540 5.345 -0.104 1.00 0.00 O ATOM 1093 CB ARG A 75 11.391 2.214 -1.000 1.00 0.00 C ATOM 1094 CG ARG A 75 10.819 0.792 -0.914 1.00 0.00 C ATOM 1095 CD ARG A 75 10.629 0.223 0.506 1.00 0.00 C ATOM 1096 NE ARG A 75 9.393 -0.558 0.628 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.001 -1.514 -0.253 1.00 0.00 C ATOM 1098 NH1 ARG A 75 9.796 -1.942 -1.228 1.00 0.00 N ATOM 1099 NH2 ARG A 75 7.792 -2.051 -0.144 1.00 0.00 N ATOM 0 H ARG A 75 9.145 2.577 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 75 10.263 3.158 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.714 2.410 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.276 2.284 -0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.854 0.779 -1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.478 0.123 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.482 -0.407 0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.612 1.042 1.225 1.00 0.00 H new ATOM 0 HE ARG A 75 8.788 -0.370 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.732 -1.551 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.470 -2.662 -1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.163 -1.745 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.492 -2.770 -0.803 1.00 0.00 H new ATOM 1113 N GLU A 76 10.461 5.178 -2.110 1.00 0.00 N ATOM 1114 CA GLU A 76 10.804 6.512 -2.565 1.00 0.00 C ATOM 1115 C GLU A 76 9.881 7.502 -1.830 1.00 0.00 C ATOM 1116 O GLU A 76 10.269 8.639 -1.609 1.00 0.00 O ATOM 1117 CB GLU A 76 10.639 6.592 -4.093 1.00 0.00 C ATOM 1118 CG GLU A 76 10.891 7.992 -4.676 1.00 0.00 C ATOM 1119 CD GLU A 76 10.758 7.969 -6.208 1.00 0.00 C ATOM 1120 OE1 GLU A 76 9.640 8.104 -6.705 1.00 0.00 O ATOM 1121 OE2 GLU A 76 11.772 7.815 -6.888 1.00 0.00 O ATOM 0 H GLU A 76 9.901 4.639 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 76 11.842 6.760 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.326 5.886 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.630 6.276 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.180 8.702 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.887 8.335 -4.397 1.00 0.00 H new ATOM 1128 N LYS A 77 8.666 7.024 -1.454 1.00 0.00 N ATOM 1129 CA LYS A 77 7.666 7.818 -0.760 1.00 0.00 C ATOM 1130 C LYS A 77 8.088 7.996 0.721 1.00 0.00 C ATOM 1131 O LYS A 77 7.562 8.849 1.426 1.00 0.00 O ATOM 1132 CB LYS A 77 6.330 7.055 -0.855 1.00 0.00 C ATOM 1133 CG LYS A 77 5.086 7.802 -0.371 1.00 0.00 C ATOM 1134 CD LYS A 77 3.885 6.856 -0.265 1.00 0.00 C ATOM 1135 CE LYS A 77 2.640 7.533 0.309 1.00 0.00 C ATOM 1136 NZ LYS A 77 2.016 8.479 -0.607 1.00 0.00 N ATOM 0 H LYS A 77 8.368 6.065 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 77 7.566 8.808 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.173 6.768 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.421 6.133 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.284 8.255 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.854 8.614 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.653 6.460 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.153 6.007 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.912 6.768 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.911 8.054 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.480 9.186 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.751 8.957 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.371 7.971 -1.245 1.00 0.00 H new ATOM 1149 N CYS A 78 9.035 7.136 1.156 1.00 0.00 N ATOM 1150 CA CYS A 78 9.541 7.109 2.523 1.00 0.00 C ATOM 1151 C CYS A 78 10.722 8.038 2.587 1.00 0.00 C ATOM 1152 O CYS A 78 10.874 8.889 3.454 1.00 0.00 O ATOM 1153 CB CYS A 78 9.848 5.669 2.967 1.00 0.00 C ATOM 1154 SG CYS A 78 10.605 5.571 4.608 1.00 0.00 S ATOM 0 H CYS A 78 9.467 6.437 0.551 1.00 0.00 H new ATOM 0 HA CYS A 78 8.793 7.461 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.924 5.091 2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 78 10.514 5.206 2.239 1.00 0.00 H new ATOM 0 HG CYS A 78 10.053 6.447 5.394 1.00 0.00 H new ATOM 1160 N ASP A 79 11.516 7.791 1.549 1.00 0.00 N ATOM 1161 CA ASP A 79 12.735 8.499 1.261 1.00 0.00 C ATOM 1162 C ASP A 79 12.391 9.877 0.687 1.00 0.00 C ATOM 1163 O ASP A 79 13.269 10.658 0.343 1.00 0.00 O ATOM 1164 CB ASP A 79 13.719 7.685 0.395 1.00 0.00 C ATOM 1165 CG ASP A 79 14.157 6.364 1.064 1.00 0.00 C ATOM 1166 OD1 ASP A 79 14.282 6.324 2.289 1.00 0.00 O ATOM 1167 OD2 ASP A 79 14.375 5.386 0.349 1.00 0.00 O ATOM 0 H ASP A 79 11.310 7.062 0.866 1.00 0.00 H new ATOM 0 HA ASP A 79 13.283 8.651 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.253 7.463 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.601 8.292 0.188 1.00 0.00 H new ATOM 1172 N GLU A 80 11.074 10.129 0.630 1.00 0.00 N ATOM 1173 CA GLU A 80 10.523 11.384 0.190 1.00 0.00 C ATOM 1174 C GLU A 80 10.518 12.249 1.443 1.00 0.00 C ATOM 1175 O GLU A 80 11.060 13.347 1.486 1.00 0.00 O ATOM 1176 CB GLU A 80 9.098 11.290 -0.395 1.00 0.00 C ATOM 1177 CG GLU A 80 8.537 12.659 -0.817 1.00 0.00 C ATOM 1178 CD GLU A 80 9.291 13.230 -2.028 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.989 12.828 -3.152 1.00 0.00 O ATOM 1180 OE2 GLU A 80 10.169 14.071 -1.836 1.00 0.00 O ATOM 0 H GLU A 80 10.366 9.445 0.896 1.00 0.00 H new ATOM 0 HA GLU A 80 11.119 11.783 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.107 10.624 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.435 10.843 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.479 12.560 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.609 13.355 0.018 1.00 0.00 H new ATOM 1187 N ALA A 81 9.840 11.645 2.445 1.00 0.00 N ATOM 1188 CA ALA A 81 9.646 12.236 3.762 1.00 0.00 C ATOM 1189 C ALA A 81 8.840 13.532 3.554 1.00 0.00 C ATOM 1190 O ALA A 81 9.144 14.580 4.111 1.00 0.00 O ATOM 1191 CB ALA A 81 10.983 12.462 4.491 1.00 0.00 C ATOM 0 H ALA A 81 9.413 10.724 2.347 1.00 0.00 H new ATOM 0 HA ALA A 81 9.093 11.562 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.794 12.904 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.495 11.508 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.608 13.134 3.904 1.00 0.00 H new ATOM 1197 N GLY A 82 7.802 13.372 2.704 1.00 0.00 N ATOM 1198 CA GLY A 82 6.905 14.463 2.345 1.00 0.00 C ATOM 1199 C GLY A 82 5.522 13.896 2.014 1.00 0.00 C ATOM 1200 O GLY A 82 4.496 14.419 2.434 1.00 0.00 O ATOM 0 H GLY A 82 7.574 12.484 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.831 15.174 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.302 15.008 1.488 1.00 0.00 H new ATOM 1204 N LEU A 83 5.573 12.787 1.242 1.00 0.00 N ATOM 1205 CA LEU A 83 4.366 12.085 0.843 1.00 0.00 C ATOM 1206 C LEU A 83 3.994 11.240 2.066 1.00 0.00 C ATOM 1207 O LEU A 83 4.765 10.407 2.526 1.00 0.00 O ATOM 1208 CB LEU A 83 4.647 11.175 -0.360 1.00 0.00 C ATOM 1209 CG LEU A 83 4.957 11.930 -1.689 1.00 0.00 C ATOM 1210 CD1 LEU A 83 5.832 11.006 -2.590 1.00 0.00 C ATOM 1211 CD2 LEU A 83 4.092 13.083 -2.245 1.00 0.00 C ATOM 0 H LEU A 83 6.438 12.374 0.893 1.00 0.00 H new ATOM 0 HA LEU A 83 3.570 12.767 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.491 10.528 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.784 10.528 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 83 5.503 12.843 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.059 11.518 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.761 10.767 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.289 10.085 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.520 13.439 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.078 12.724 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.067 13.900 -1.524 1.00 0.00 H new ATOM 1223 N LYS A 84 2.765 11.517 2.553 1.00 0.00 N ATOM 1224 CA LYS A 84 2.253 10.826 3.725 1.00 0.00 C ATOM 1225 C LYS A 84 1.683 9.496 3.228 1.00 0.00 C ATOM 1226 O LYS A 84 1.069 9.414 2.171 1.00 0.00 O ATOM 1227 CB LYS A 84 1.228 11.702 4.476 1.00 0.00 C ATOM 1228 CG LYS A 84 -0.104 11.969 3.743 1.00 0.00 C ATOM 1229 CD LYS A 84 -1.175 10.877 3.914 1.00 0.00 C ATOM 1230 CE LYS A 84 -1.631 10.671 5.361 1.00 0.00 C ATOM 1231 NZ LYS A 84 -2.694 9.681 5.446 1.00 0.00 N ATOM 0 H LYS A 84 2.128 12.205 2.151 1.00 0.00 H new ATOM 0 HA LYS A 84 3.033 10.628 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.005 11.226 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.695 12.661 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.513 12.915 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.103 12.090 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.041 11.134 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.783 9.935 3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.785 10.352 5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.980 11.618 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.553 9.092 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.613 10.163 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.677 9.079 4.598 1.00 0.00 H new ATOM 1244 N GLY A 85 1.944 8.472 4.069 1.00 0.00 N ATOM 1245 CA GLY A 85 1.498 7.111 3.805 1.00 0.00 C ATOM 1246 C GLY A 85 2.697 6.161 3.756 1.00 0.00 C ATOM 1247 O GLY A 85 3.075 5.658 2.705 1.00 0.00 O ATOM 0 H GLY A 85 2.466 8.577 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.803 6.791 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.957 7.075 2.859 1.00 0.00 H new ATOM 1251 N ILE A 86 3.257 5.949 4.970 1.00 0.00 N ATOM 1252 CA ILE A 86 4.405 5.066 5.150 1.00 0.00 C ATOM 1253 C ILE A 86 3.868 3.764 5.761 1.00 0.00 C ATOM 1254 O ILE A 86 4.519 3.128 6.582 1.00 0.00 O ATOM 1255 CB ILE A 86 5.495 5.696 6.074 1.00 0.00 C ATOM 1256 CG1 ILE A 86 6.934 5.154 5.891 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.828 6.376 7.315 1.00 0.00 C ATOM 1258 CD1 ILE A 86 7.970 5.645 6.922 1.00 0.00 C ATOM 0 H ILE A 86 2.924 6.383 5.831 1.00 0.00 H new ATOM 0 HA ILE A 86 4.891 4.888 4.190 1.00 0.00 H new ATOM 0 HB ILE A 86 6.050 6.603 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.900 4.065 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.282 5.428 4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.600 6.811 7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.150 7.160 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.269 5.631 7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.942 5.204 6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.045 6.731 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.657 5.347 7.923 1.00 0.00 H new ATOM 1270 N LYS A 87 2.643 3.415 5.316 1.00 0.00 N ATOM 1271 CA LYS A 87 1.964 2.214 5.759 1.00 0.00 C ATOM 1272 C LYS A 87 1.581 1.533 4.458 1.00 0.00 C ATOM 1273 O LYS A 87 0.849 2.064 3.633 1.00 0.00 O ATOM 1274 CB LYS A 87 0.727 2.547 6.595 1.00 0.00 C ATOM 1275 CG LYS A 87 1.093 3.088 7.982 1.00 0.00 C ATOM 1276 CD LYS A 87 -0.143 3.520 8.776 1.00 0.00 C ATOM 1277 CE LYS A 87 0.174 3.847 10.239 1.00 0.00 C ATOM 1278 NZ LYS A 87 0.492 2.657 11.021 1.00 0.00 N ATOM 0 H LYS A 87 2.112 3.966 4.642 1.00 0.00 H new ATOM 0 HA LYS A 87 2.583 1.589 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.122 3.284 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.114 1.652 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.632 2.321 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.768 3.937 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.586 4.395 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.888 2.725 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.015 4.540 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.680 4.355 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.582 2.915 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.268 1.956 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.389 2.251 10.686 1.00 0.00 H new ATOM 1291 N LEU A 88 2.155 0.331 4.318 1.00 0.00 N ATOM 1292 CA LEU A 88 1.898 -0.427 3.116 1.00 0.00 C ATOM 1293 C LEU A 88 1.747 -1.871 3.564 1.00 0.00 C ATOM 1294 O LEU A 88 2.255 -2.315 4.586 1.00 0.00 O ATOM 1295 CB LEU A 88 3.056 -0.213 2.126 1.00 0.00 C ATOM 1296 CG LEU A 88 3.014 1.203 1.460 1.00 0.00 C ATOM 1297 CD1 LEU A 88 1.954 1.206 0.325 1.00 0.00 C ATOM 1298 CD2 LEU A 88 3.550 2.557 1.998 1.00 0.00 C ATOM 0 H LEU A 88 2.773 -0.112 4.998 1.00 0.00 H new ATOM 0 HA LEU A 88 0.995 -0.116 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.005 -0.339 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.014 -0.978 1.351 1.00 0.00 H new ATOM 0 HG LEU A 88 4.089 1.309 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.922 2.191 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.220 0.459 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.975 0.970 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.351 3.343 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.052 2.798 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.624 2.482 2.166 1.00 0.00 H new ATOM 1310 N PHE A 89 0.947 -2.551 2.730 1.00 0.00 N ATOM 1311 CA PHE A 89 0.698 -3.963 2.908 1.00 0.00 C ATOM 1312 C PHE A 89 0.715 -4.440 1.450 1.00 0.00 C ATOM 1313 O PHE A 89 -0.193 -4.184 0.669 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.592 -4.193 3.721 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.538 -5.378 4.658 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.338 -6.445 4.459 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.395 -5.426 5.753 1.00 0.00 C ATOM 1318 CE1 PHE A 89 0.328 -7.541 5.310 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -1.377 -6.508 6.620 1.00 0.00 C ATOM 1320 CZ PHE A 89 -0.526 -7.574 6.396 1.00 0.00 C ATOM 0 H PHE A 89 0.469 -2.135 1.931 1.00 0.00 H new ATOM 0 HA PHE A 89 1.413 -4.529 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.805 -3.296 4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.423 -4.330 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.033 -6.418 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.082 -4.612 5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.991 -8.373 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.033 -6.518 7.478 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.528 -8.424 7.063 1.00 0.00 H new ATOM 1330 N VAL A 90 1.832 -5.123 1.141 1.00 0.00 N ATOM 1331 CA VAL A 90 2.107 -5.595 -0.200 1.00 0.00 C ATOM 1332 C VAL A 90 1.535 -6.992 -0.392 1.00 0.00 C ATOM 1333 O VAL A 90 2.111 -8.036 -0.104 1.00 0.00 O ATOM 1334 CB VAL A 90 3.626 -5.526 -0.575 1.00 0.00 C ATOM 1335 CG1 VAL A 90 3.733 -5.559 -2.134 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.747 -4.832 0.229 1.00 0.00 C ATOM 0 H VAL A 90 2.557 -5.355 1.820 1.00 0.00 H new ATOM 0 HA VAL A 90 1.608 -4.918 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 90 4.021 -6.390 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.782 -5.512 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.292 -6.482 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.200 -4.706 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.698 -4.958 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.523 -3.770 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.813 -5.278 1.221 1.00 0.00 H new ATOM 1346 N GLY A 91 0.318 -6.869 -0.918 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.486 -8.012 -1.294 1.00 0.00 C ATOM 1348 C GLY A 91 0.182 -8.812 -2.424 1.00 0.00 C ATOM 1349 O GLY A 91 0.401 -8.313 -3.522 1.00 0.00 O ATOM 0 H GLY A 91 -0.132 -5.970 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.635 -8.656 -0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.472 -7.677 -1.616 1.00 0.00 H new ATOM 1353 N GLY A 92 0.481 -10.082 -2.067 1.00 0.00 N ATOM 1354 CA GLY A 92 1.138 -10.994 -2.994 1.00 0.00 C ATOM 1355 C GLY A 92 2.648 -10.734 -2.953 1.00 0.00 C ATOM 1356 O GLY A 92 3.371 -11.301 -2.141 1.00 0.00 O ATOM 0 H GLY A 92 0.275 -10.483 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.925 -12.028 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.756 -10.846 -4.004 1.00 0.00 H new ATOM 1360 N ASN A 93 3.058 -9.840 -3.887 1.00 0.00 N ATOM 1361 CA ASN A 93 4.443 -9.399 -4.023 1.00 0.00 C ATOM 1362 C ASN A 93 5.218 -10.587 -4.633 1.00 0.00 C ATOM 1363 O ASN A 93 4.709 -11.308 -5.483 1.00 0.00 O ATOM 1364 CB ASN A 93 4.977 -8.879 -2.658 1.00 0.00 C ATOM 1365 CG ASN A 93 6.189 -7.941 -2.784 1.00 0.00 C ATOM 1366 OD1 ASN A 93 6.621 -7.573 -3.870 1.00 0.00 O ATOM 1367 ND2 ASN A 93 6.697 -7.582 -1.591 1.00 0.00 N ATOM 0 H ASN A 93 2.425 -9.411 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 93 4.563 -8.545 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.174 -8.353 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.252 -9.732 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.502 -6.958 -1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 93 6.277 -7.934 -0.731 1.00 0.00 H new ATOM 1374 N ILE A 94 6.471 -10.738 -4.143 1.00 0.00 N ATOM 1375 CA ILE A 94 7.370 -11.801 -4.564 1.00 0.00 C ATOM 1376 C ILE A 94 7.114 -12.941 -3.572 1.00 0.00 C ATOM 1377 O ILE A 94 6.765 -12.729 -2.418 1.00 0.00 O ATOM 1378 CB ILE A 94 8.861 -11.333 -4.618 1.00 0.00 C ATOM 1379 CG1 ILE A 94 9.208 -10.031 -3.786 1.00 0.00 C ATOM 1380 CG2 ILE A 94 9.759 -12.526 -5.116 1.00 0.00 C ATOM 1381 CD1 ILE A 94 8.985 -10.010 -2.249 1.00 0.00 C ATOM 0 H ILE A 94 6.874 -10.116 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 94 7.179 -12.126 -5.587 1.00 0.00 H new ATOM 0 HB ILE A 94 9.336 -10.652 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.259 -9.803 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.627 -9.211 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.800 -12.206 -5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.664 -13.365 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.436 -12.834 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.278 -9.038 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.932 -10.188 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.589 -10.789 -1.783 1.00 0.00 H new ATOM 1393 N VAL A 95 7.294 -14.158 -4.125 1.00 0.00 N ATOM 1394 CA VAL A 95 7.104 -15.401 -3.391 1.00 0.00 C ATOM 1395 C VAL A 95 8.409 -15.730 -2.646 1.00 0.00 C ATOM 1396 O VAL A 95 9.287 -14.893 -2.473 1.00 0.00 O ATOM 1397 CB VAL A 95 6.694 -16.508 -4.424 1.00 0.00 C ATOM 1398 CG1 VAL A 95 5.555 -17.396 -3.839 1.00 0.00 C ATOM 1399 CG2 VAL A 95 7.067 -16.428 -5.931 1.00 0.00 C ATOM 0 H VAL A 95 7.576 -14.294 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 95 6.314 -15.328 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 95 7.519 -17.181 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.280 -18.160 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.901 -17.874 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.686 -16.775 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.677 -17.304 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.634 -15.527 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.151 -16.397 -6.036 1.00 0.00 H new ATOM 1409 N VAL A 96 8.449 -17.014 -2.225 1.00 0.00 N ATOM 1410 CA VAL A 96 9.538 -17.656 -1.500 1.00 0.00 C ATOM 1411 C VAL A 96 10.135 -16.755 -0.404 1.00 0.00 C ATOM 1412 O VAL A 96 11.227 -16.212 -0.519 1.00 0.00 O ATOM 1413 CB VAL A 96 10.594 -18.255 -2.487 1.00 0.00 C ATOM 1414 CG1 VAL A 96 11.147 -17.184 -3.481 1.00 0.00 C ATOM 1415 CG2 VAL A 96 11.230 -19.675 -2.377 1.00 0.00 C ATOM 0 H VAL A 96 7.674 -17.654 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 96 9.123 -18.502 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 96 10.100 -19.154 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.876 -17.647 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.326 -16.777 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.625 -16.380 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.931 -19.824 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.758 -19.765 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.446 -20.430 -2.428 1.00 0.00 H new ATOM 1425 N GLY A 97 9.324 -16.658 0.670 1.00 0.00 N ATOM 1426 CA GLY A 97 9.700 -15.861 1.826 1.00 0.00 C ATOM 1427 C GLY A 97 8.458 -15.518 2.652 1.00 0.00 C ATOM 1428 O GLY A 97 7.332 -15.859 2.311 1.00 0.00 O ATOM 0 H GLY A 97 8.418 -17.120 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.415 -16.410 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.195 -14.946 1.502 1.00 0.00 H new ATOM 1432 N LYS A 98 8.763 -14.814 3.759 1.00 0.00 N ATOM 1433 CA LYS A 98 7.739 -14.378 4.698 1.00 0.00 C ATOM 1434 C LYS A 98 8.380 -13.229 5.484 1.00 0.00 C ATOM 1435 O LYS A 98 7.791 -12.172 5.679 1.00 0.00 O ATOM 1436 CB LYS A 98 7.297 -15.542 5.605 1.00 0.00 C ATOM 1437 CG LYS A 98 6.199 -15.146 6.600 1.00 0.00 C ATOM 1438 CD LYS A 98 5.699 -16.343 7.418 1.00 0.00 C ATOM 1439 CE LYS A 98 4.653 -15.949 8.467 1.00 0.00 C ATOM 1440 NZ LYS A 98 3.417 -15.450 7.879 1.00 0.00 N ATOM 0 H LYS A 98 9.712 -14.541 4.015 1.00 0.00 H new ATOM 0 HA LYS A 98 6.829 -14.045 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.937 -16.362 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.161 -15.914 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.582 -14.381 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.363 -14.703 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.270 -17.084 6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.545 -16.817 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.429 -16.814 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.072 -15.184 9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.736 -15.232 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.616 -14.588 7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.015 -16.174 7.250 1.00 0.00 H new ATOM 1453 N GLN A 99 9.625 -13.523 5.911 1.00 0.00 N ATOM 1454 CA GLN A 99 10.460 -12.603 6.662 1.00 0.00 C ATOM 1455 C GLN A 99 11.800 -12.607 5.914 1.00 0.00 C ATOM 1456 O GLN A 99 12.403 -11.569 5.672 1.00 0.00 O ATOM 1457 CB GLN A 99 10.568 -13.081 8.124 1.00 0.00 C ATOM 1458 CG GLN A 99 11.277 -12.098 9.073 1.00 0.00 C ATOM 1459 CD GLN A 99 12.783 -11.971 8.796 1.00 0.00 C ATOM 1460 OE1 GLN A 99 13.283 -10.913 8.437 1.00 0.00 O ATOM 1461 NE2 GLN A 99 13.464 -13.116 8.987 1.00 0.00 N ATOM 0 H GLN A 99 10.072 -14.423 5.734 1.00 0.00 H new ATOM 0 HA GLN A 99 10.066 -11.589 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.564 -13.272 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.102 -14.031 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.813 -11.116 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.130 -12.426 10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.972 -13.958 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.472 -13.142 8.831 1.00 0.00 H new ATOM 1470 N ASN A 100 12.217 -13.844 5.562 1.00 0.00 N ATOM 1471 CA ASN A 100 13.456 -14.067 4.838 1.00 0.00 C ATOM 1472 C ASN A 100 13.091 -13.907 3.356 1.00 0.00 C ATOM 1473 O ASN A 100 12.621 -14.824 2.694 1.00 0.00 O ATOM 1474 CB ASN A 100 14.057 -15.445 5.192 1.00 0.00 C ATOM 1475 CG ASN A 100 13.076 -16.619 4.990 1.00 0.00 C ATOM 1476 OD1 ASN A 100 12.113 -16.790 5.727 1.00 0.00 O ATOM 1477 ND2 ASN A 100 13.395 -17.414 3.951 1.00 0.00 N ATOM 0 H ASN A 100 11.700 -14.697 5.776 1.00 0.00 H new ATOM 0 HA ASN A 100 14.240 -13.358 5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.943 -15.614 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.386 -15.432 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.816 -18.225 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.215 -17.205 3.382 1.00 0.00 H new ATOM 1484 N TRP A 101 13.341 -12.663 2.894 1.00 0.00 N ATOM 1485 CA TRP A 101 13.063 -12.289 1.519 1.00 0.00 C ATOM 1486 C TRP A 101 14.427 -12.285 0.815 1.00 0.00 C ATOM 1487 O TRP A 101 15.462 -12.275 1.473 1.00 0.00 O ATOM 1488 CB TRP A 101 12.434 -10.885 1.488 1.00 0.00 C ATOM 1489 CG TRP A 101 11.065 -10.908 2.130 1.00 0.00 C ATOM 1490 CD1 TRP A 101 10.696 -10.265 3.315 1.00 0.00 C ATOM 1491 CD2 TRP A 101 9.884 -11.573 1.640 1.00 0.00 C ATOM 1492 NE1 TRP A 101 9.385 -10.500 3.561 1.00 0.00 N ATOM 1493 CE2 TRP A 101 8.846 -11.299 2.559 1.00 0.00 C ATOM 1494 CE3 TRP A 101 9.638 -12.348 0.539 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 7.594 -11.807 2.347 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.365 -12.869 0.322 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.340 -12.599 1.226 1.00 0.00 C ATOM 0 H TRP A 101 13.734 -11.913 3.463 1.00 0.00 H new ATOM 0 HA TRP A 101 12.366 -12.972 1.033 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.078 -10.179 2.013 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.354 -10.538 0.458 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.353 -9.674 3.936 1.00 0.00 H new ATOM 0 HE1 TRP A 101 8.868 -10.143 4.365 1.00 0.00 H new ATOM 0 HE3 TRP A 101 10.432 -12.556 -0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.800 -11.595 3.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.173 -13.482 -0.546 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.352 -13.001 1.060 1.00 0.00 H new ATOM 1508 N PRO A 102 14.406 -12.290 -0.557 1.00 0.00 N ATOM 1509 CA PRO A 102 15.638 -12.267 -1.347 1.00 0.00 C ATOM 1510 C PRO A 102 16.338 -10.901 -1.140 1.00 0.00 C ATOM 1511 O PRO A 102 16.168 -10.223 -0.134 1.00 0.00 O ATOM 1512 CB PRO A 102 15.171 -12.503 -2.807 1.00 0.00 C ATOM 1513 CG PRO A 102 13.736 -13.016 -2.711 1.00 0.00 C ATOM 1514 CD PRO A 102 13.207 -12.504 -1.373 1.00 0.00 C ATOM 0 HA PRO A 102 16.370 -13.023 -1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.218 -11.581 -3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.812 -13.228 -3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.131 -12.647 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.705 -14.105 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.643 -11.580 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.536 -13.227 -0.909 1.00 0.00 H new ATOM 1522 N ASP A 103 17.100 -10.522 -2.192 1.00 0.00 N ATOM 1523 CA ASP A 103 17.870 -9.286 -2.209 1.00 0.00 C ATOM 1524 C ASP A 103 16.891 -8.104 -2.278 1.00 0.00 C ATOM 1525 O ASP A 103 17.208 -7.003 -1.841 1.00 0.00 O ATOM 1526 CB ASP A 103 18.878 -9.287 -3.379 1.00 0.00 C ATOM 1527 CG ASP A 103 18.195 -9.448 -4.754 1.00 0.00 C ATOM 1528 OD1 ASP A 103 18.004 -10.583 -5.191 1.00 0.00 O ATOM 1529 OD2 ASP A 103 17.865 -8.436 -5.372 1.00 0.00 O ATOM 0 H ASP A 103 17.189 -11.073 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 103 18.461 -9.194 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 103 19.444 -8.356 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 103 19.593 -10.097 -3.236 1.00 0.00 H new ATOM 1534 N VAL A 104 15.692 -8.401 -2.838 1.00 0.00 N ATOM 1535 CA VAL A 104 14.631 -7.417 -2.986 1.00 0.00 C ATOM 1536 C VAL A 104 14.320 -6.751 -1.647 1.00 0.00 C ATOM 1537 O VAL A 104 14.725 -5.616 -1.427 1.00 0.00 O ATOM 1538 CB VAL A 104 13.343 -8.001 -3.667 1.00 0.00 C ATOM 1539 CG1 VAL A 104 12.947 -9.391 -3.067 1.00 0.00 C ATOM 1540 CG2 VAL A 104 12.316 -7.089 -4.381 1.00 0.00 C ATOM 0 H VAL A 104 15.451 -9.327 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 104 15.000 -6.650 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 104 13.621 -8.213 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.051 -9.760 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.763 -10.098 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.751 -9.284 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 104 11.505 -7.698 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 104 11.913 -6.368 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 104 12.806 -6.558 -5.197 1.00 0.00 H new ATOM 1550 N GLU A 105 13.625 -7.498 -0.755 1.00 0.00 N ATOM 1551 CA GLU A 105 13.283 -6.889 0.518 1.00 0.00 C ATOM 1552 C GLU A 105 14.397 -7.156 1.526 1.00 0.00 C ATOM 1553 O GLU A 105 14.123 -7.221 2.711 1.00 0.00 O ATOM 1554 CB GLU A 105 11.888 -7.263 1.050 1.00 0.00 C ATOM 1555 CG GLU A 105 10.783 -7.119 -0.009 1.00 0.00 C ATOM 1556 CD GLU A 105 9.396 -7.410 0.591 1.00 0.00 C ATOM 1557 OE1 GLU A 105 9.046 -8.580 0.734 1.00 0.00 O ATOM 1558 OE2 GLU A 105 8.677 -6.463 0.904 1.00 0.00 O ATOM 0 H GLU A 105 13.314 -8.460 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 105 13.207 -5.814 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.906 -8.292 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.649 -6.630 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.800 -6.110 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.976 -7.804 -0.835 1.00 0.00 H new ATOM 1565 N GLN A 106 15.655 -7.313 1.046 1.00 0.00 N ATOM 1566 CA GLN A 106 16.761 -7.455 1.989 1.00 0.00 C ATOM 1567 C GLN A 106 16.985 -6.012 2.484 1.00 0.00 C ATOM 1568 O GLN A 106 17.116 -5.730 3.670 1.00 0.00 O ATOM 1569 CB GLN A 106 18.025 -7.996 1.298 1.00 0.00 C ATOM 1570 CG GLN A 106 19.246 -8.069 2.228 1.00 0.00 C ATOM 1571 CD GLN A 106 20.461 -8.636 1.482 1.00 0.00 C ATOM 1572 OE1 GLN A 106 21.364 -7.913 1.079 1.00 0.00 O ATOM 1573 NE2 GLN A 106 20.419 -9.972 1.330 1.00 0.00 N ATOM 0 H GLN A 106 15.910 -7.342 0.059 1.00 0.00 H new ATOM 0 HA GLN A 106 16.544 -8.161 2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.817 -8.991 0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.264 -7.360 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.479 -7.075 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 106 19.017 -8.696 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.628 -10.502 1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 106 21.178 -10.455 0.849 1.00 0.00 H new ATOM 1582 N ARG A 107 16.983 -5.130 1.458 1.00 0.00 N ATOM 1583 CA ARG A 107 17.154 -3.705 1.648 1.00 0.00 C ATOM 1584 C ARG A 107 15.792 -3.132 2.081 1.00 0.00 C ATOM 1585 O ARG A 107 15.759 -2.172 2.841 1.00 0.00 O ATOM 1586 CB ARG A 107 17.707 -3.046 0.367 1.00 0.00 C ATOM 1587 CG ARG A 107 16.943 -3.424 -0.915 1.00 0.00 C ATOM 1588 CD ARG A 107 17.442 -2.689 -2.163 1.00 0.00 C ATOM 1589 NE ARG A 107 17.214 -1.254 -2.031 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.341 -0.401 -3.072 1.00 0.00 C ATOM 1591 NH1 ARG A 107 17.706 -0.830 -4.278 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.095 0.892 -2.887 1.00 0.00 N ATOM 0 H ARG A 107 16.862 -5.404 0.483 1.00 0.00 H new ATOM 0 HA ARG A 107 17.889 -3.494 2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.679 -1.963 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.754 -3.327 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.030 -4.498 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.884 -3.207 -0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.505 -2.883 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.926 -3.066 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 107 16.949 -0.881 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.896 -1.820 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.795 -0.168 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.814 1.231 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.188 1.545 -3.665 1.00 0.00 H new ATOM 1606 N PHE A 108 14.678 -3.751 1.598 1.00 0.00 N ATOM 1607 CA PHE A 108 13.364 -3.233 1.987 1.00 0.00 C ATOM 1608 C PHE A 108 12.911 -3.929 3.286 1.00 0.00 C ATOM 1609 O PHE A 108 11.748 -3.814 3.649 1.00 0.00 O ATOM 1610 CB PHE A 108 12.290 -3.323 0.879 1.00 0.00 C ATOM 1611 CG PHE A 108 12.797 -2.904 -0.478 1.00 0.00 C ATOM 1612 CD1 PHE A 108 13.495 -1.711 -0.648 1.00 0.00 C ATOM 1613 CD2 PHE A 108 12.575 -3.712 -1.589 1.00 0.00 C ATOM 1614 CE1 PHE A 108 13.971 -1.343 -1.899 1.00 0.00 C ATOM 1615 CE2 PHE A 108 13.056 -3.352 -2.840 1.00 0.00 C ATOM 1616 CZ PHE A 108 13.759 -2.169 -2.993 1.00 0.00 C ATOM 0 H PHE A 108 14.672 -4.560 0.977 1.00 0.00 H new ATOM 0 HA PHE A 108 13.478 -2.163 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 108 11.922 -4.347 0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.442 -2.695 1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 108 13.668 -1.066 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.021 -4.632 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.507 -0.413 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 108 12.882 -3.993 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.142 -1.890 -3.963 1.00 0.00 H new ATOM 1626 N LYS A 109 13.831 -4.680 3.947 1.00 0.00 N ATOM 1627 CA LYS A 109 13.518 -5.304 5.236 1.00 0.00 C ATOM 1628 C LYS A 109 13.931 -4.251 6.270 1.00 0.00 C ATOM 1629 O LYS A 109 13.280 -4.065 7.291 1.00 0.00 O ATOM 1630 CB LYS A 109 14.259 -6.636 5.496 1.00 0.00 C ATOM 1631 CG LYS A 109 13.359 -7.878 5.338 1.00 0.00 C ATOM 1632 CD LYS A 109 12.645 -8.294 6.633 1.00 0.00 C ATOM 1633 CE LYS A 109 11.576 -7.305 7.103 1.00 0.00 C ATOM 1634 NZ LYS A 109 10.831 -7.811 8.249 1.00 0.00 N ATOM 0 H LYS A 109 14.776 -4.859 3.607 1.00 0.00 H new ATOM 0 HA LYS A 109 12.464 -5.579 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 109 15.100 -6.716 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.673 -6.622 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 109 12.612 -7.679 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.965 -8.712 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.181 -9.269 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.387 -8.412 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.048 -6.359 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.887 -7.100 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.117 -7.111 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.359 -8.701 7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.485 -7.983 9.040 1.00 0.00 H new ATOM 1647 N ALA A 110 15.058 -3.573 5.923 1.00 0.00 N ATOM 1648 CA ALA A 110 15.634 -2.521 6.746 1.00 0.00 C ATOM 1649 C ALA A 110 14.592 -1.401 6.866 1.00 0.00 C ATOM 1650 O ALA A 110 14.490 -0.744 7.895 1.00 0.00 O ATOM 1651 CB ALA A 110 16.948 -2.018 6.131 1.00 0.00 C ATOM 0 H ALA A 110 15.577 -3.754 5.064 1.00 0.00 H new ATOM 0 HA ALA A 110 15.879 -2.895 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.366 -1.231 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.657 -2.843 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.755 -1.622 5.134 1.00 0.00 H new ATOM 1657 N MET A 111 13.823 -1.231 5.765 1.00 0.00 N ATOM 1658 CA MET A 111 12.764 -0.241 5.736 1.00 0.00 C ATOM 1659 C MET A 111 11.599 -0.939 6.451 1.00 0.00 C ATOM 1660 O MET A 111 11.124 -0.494 7.489 1.00 0.00 O ATOM 1661 CB MET A 111 12.460 0.163 4.282 1.00 0.00 C ATOM 1662 CG MET A 111 13.688 0.774 3.595 1.00 0.00 C ATOM 1663 SD MET A 111 13.285 1.441 1.974 1.00 0.00 S ATOM 1664 CE MET A 111 12.902 3.132 2.464 1.00 0.00 C ATOM 0 H MET A 111 13.927 -1.768 4.904 1.00 0.00 H new ATOM 0 HA MET A 111 13.007 0.700 6.229 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.128 -0.712 3.723 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.640 0.881 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 111 14.099 1.566 4.222 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.463 0.014 3.493 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.473 3.668 1.617 1.00 0.00 H new ATOM 0 HE2 MET A 111 12.186 3.119 3.286 1.00 0.00 H new ATOM 0 HE3 MET A 111 13.815 3.633 2.786 1.00 0.00 H new ATOM 1674 N GLY A 112 11.213 -2.072 5.819 1.00 0.00 N ATOM 1675 CA GLY A 112 10.168 -2.997 6.248 1.00 0.00 C ATOM 1676 C GLY A 112 8.940 -2.395 6.949 1.00 0.00 C ATOM 1677 O GLY A 112 8.395 -2.981 7.876 1.00 0.00 O ATOM 0 H GLY A 112 11.654 -2.371 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.822 -3.545 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.618 -3.726 6.922 1.00 0.00 H new ATOM 1681 N PHE A 113 8.534 -1.206 6.449 1.00 0.00 N ATOM 1682 CA PHE A 113 7.351 -0.539 6.986 1.00 0.00 C ATOM 1683 C PHE A 113 6.120 -1.221 6.349 1.00 0.00 C ATOM 1684 O PHE A 113 4.993 -1.073 6.806 1.00 0.00 O ATOM 1685 CB PHE A 113 7.383 0.980 6.705 1.00 0.00 C ATOM 1686 CG PHE A 113 7.639 1.318 5.256 1.00 0.00 C ATOM 1687 CD1 PHE A 113 6.637 1.178 4.298 1.00 0.00 C ATOM 1688 CD2 PHE A 113 8.891 1.776 4.855 1.00 0.00 C ATOM 1689 CE1 PHE A 113 6.890 1.469 2.964 1.00 0.00 C ATOM 1690 CE2 PHE A 113 9.139 2.080 3.524 1.00 0.00 C ATOM 1691 CZ PHE A 113 8.139 1.923 2.577 1.00 0.00 C ATOM 0 H PHE A 113 9.002 -0.707 5.693 1.00 0.00 H new ATOM 0 HA PHE A 113 7.313 -0.635 8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.433 1.418 7.010 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.157 1.439 7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.655 0.840 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.676 1.896 5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.111 1.341 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.113 2.439 3.225 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.334 2.154 1.540 1.00 0.00 H new ATOM 1701 N ASP A 114 6.429 -1.969 5.272 1.00 0.00 N ATOM 1702 CA ASP A 114 5.493 -2.707 4.467 1.00 0.00 C ATOM 1703 C ASP A 114 5.607 -4.175 4.899 1.00 0.00 C ATOM 1704 O ASP A 114 6.694 -4.687 5.145 1.00 0.00 O ATOM 1705 CB ASP A 114 5.869 -2.510 2.984 1.00 0.00 C ATOM 1706 CG ASP A 114 7.269 -3.079 2.661 1.00 0.00 C ATOM 1707 OD1 ASP A 114 8.264 -2.405 2.932 1.00 0.00 O ATOM 1708 OD2 ASP A 114 7.345 -4.191 2.142 1.00 0.00 O ATOM 0 H ASP A 114 7.389 -2.066 4.941 1.00 0.00 H new ATOM 0 HA ASP A 114 4.464 -2.371 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.125 -2.998 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.845 -1.447 2.742 1.00 0.00 H new ATOM 1713 N ARG A 115 4.416 -4.804 4.991 1.00 0.00 N ATOM 1714 CA ARG A 115 4.306 -6.216 5.334 1.00 0.00 C ATOM 1715 C ARG A 115 3.837 -6.831 4.013 1.00 0.00 C ATOM 1716 O ARG A 115 3.667 -6.117 3.040 1.00 0.00 O ATOM 1717 CB ARG A 115 3.324 -6.458 6.504 1.00 0.00 C ATOM 1718 CG ARG A 115 2.443 -5.256 6.895 1.00 0.00 C ATOM 1719 CD ARG A 115 3.163 -4.273 7.828 1.00 0.00 C ATOM 1720 NE ARG A 115 2.277 -3.165 8.155 1.00 0.00 N ATOM 1721 CZ ARG A 115 2.669 -2.151 8.958 1.00 0.00 C ATOM 1722 NH1 ARG A 115 3.886 -2.130 9.498 1.00 0.00 N ATOM 1723 NH2 ARG A 115 1.825 -1.156 9.215 1.00 0.00 N ATOM 0 H ARG A 115 3.520 -4.344 4.830 1.00 0.00 H new ATOM 0 HA ARG A 115 5.234 -6.656 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.673 -7.292 6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.898 -6.764 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.130 -4.731 5.992 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.538 -5.618 7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.474 -4.784 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 115 4.067 -3.898 7.349 1.00 0.00 H new ATOM 0 HE ARG A 115 1.334 -3.154 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.541 -2.888 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.163 -1.356 10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.890 -1.162 8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.113 -0.387 9.820 1.00 0.00 H new ATOM 1737 N VAL A 116 3.662 -8.168 3.997 1.00 0.00 N ATOM 1738 CA VAL A 116 3.172 -8.825 2.783 1.00 0.00 C ATOM 1739 C VAL A 116 2.189 -9.908 3.229 1.00 0.00 C ATOM 1740 O VAL A 116 2.266 -10.382 4.356 1.00 0.00 O ATOM 1741 CB VAL A 116 4.329 -9.443 1.917 1.00 0.00 C ATOM 1742 CG1 VAL A 116 5.580 -8.511 1.881 1.00 0.00 C ATOM 1743 CG2 VAL A 116 4.309 -10.844 1.208 1.00 0.00 C ATOM 0 H VAL A 116 3.847 -8.790 4.784 1.00 0.00 H new ATOM 0 HA VAL A 116 2.689 -8.088 2.141 1.00 0.00 H new ATOM 0 HB VAL A 116 3.903 -10.235 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.359 -8.971 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.304 -7.549 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.952 -8.361 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.251 -10.999 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.177 -11.628 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.485 -10.879 0.495 1.00 0.00 H new ATOM 1753 N TYR A 117 1.281 -10.287 2.294 1.00 0.00 N ATOM 1754 CA TYR A 117 0.322 -11.329 2.616 1.00 0.00 C ATOM 1755 C TYR A 117 0.969 -12.573 1.948 1.00 0.00 C ATOM 1756 O TYR A 117 1.086 -12.614 0.728 1.00 0.00 O ATOM 1757 CB TYR A 117 -1.048 -11.019 1.994 1.00 0.00 C ATOM 1758 CG TYR A 117 -1.697 -9.697 2.364 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -1.083 -8.473 2.111 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -2.993 -9.678 2.874 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -1.763 -7.280 2.263 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -3.687 -8.486 3.048 1.00 0.00 C ATOM 1763 CZ TYR A 117 -3.083 -7.271 2.710 1.00 0.00 C ATOM 1764 OH TYR A 117 -3.771 -6.069 2.806 1.00 0.00 O ATOM 0 H TYR A 117 1.206 -9.896 1.355 1.00 0.00 H new ATOM 0 HA TYR A 117 0.135 -11.449 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.941 -11.051 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.733 -11.820 2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.052 -8.456 1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.469 -10.610 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.268 -6.348 2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.692 -8.498 3.444 1.00 0.00 H new ATOM 0 HH TYR A 117 -3.335 -5.397 2.242 1.00 0.00 H new ATOM 1774 N PRO A 118 1.404 -13.582 2.777 1.00 0.00 N ATOM 1775 CA PRO A 118 2.084 -14.789 2.293 1.00 0.00 C ATOM 1776 C PRO A 118 1.226 -15.501 1.232 1.00 0.00 C ATOM 1777 O PRO A 118 0.017 -15.331 1.191 1.00 0.00 O ATOM 1778 CB PRO A 118 2.284 -15.670 3.544 1.00 0.00 C ATOM 1779 CG PRO A 118 2.153 -14.718 4.728 1.00 0.00 C ATOM 1780 CD PRO A 118 1.257 -13.581 4.235 1.00 0.00 C ATOM 0 HA PRO A 118 3.035 -14.564 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 118 1.537 -16.462 3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.261 -16.153 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.713 -15.220 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.128 -14.343 5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 118 0.219 -13.743 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.563 -12.625 4.661 1.00 0.00 H new ATOM 1788 N PRO A 119 1.895 -16.334 0.377 1.00 0.00 N ATOM 1789 CA PRO A 119 1.217 -17.078 -0.684 1.00 0.00 C ATOM 1790 C PRO A 119 0.317 -18.100 0.027 1.00 0.00 C ATOM 1791 O PRO A 119 0.770 -18.936 0.799 1.00 0.00 O ATOM 1792 CB PRO A 119 2.353 -17.730 -1.490 1.00 0.00 C ATOM 1793 CG PRO A 119 3.542 -17.775 -0.526 1.00 0.00 C ATOM 1794 CD PRO A 119 3.337 -16.588 0.416 1.00 0.00 C ATOM 0 HA PRO A 119 0.593 -16.490 -1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.077 -18.730 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.589 -17.149 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 119 3.568 -18.715 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.487 -17.694 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 119 3.672 -16.821 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.903 -15.717 0.086 1.00 0.00 H new ATOM 1802 N GLY A 120 -0.986 -17.949 -0.294 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.031 -18.783 0.283 1.00 0.00 C ATOM 1804 C GLY A 120 -2.628 -18.032 1.473 1.00 0.00 C ATOM 1805 O GLY A 120 -2.517 -18.428 2.627 1.00 0.00 O ATOM 0 H GLY A 120 -1.328 -17.250 -0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.801 -18.997 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -1.621 -19.741 0.603 1.00 0.00 H new ATOM 1809 N THR A 121 -3.270 -16.914 1.078 1.00 0.00 N ATOM 1810 CA THR A 121 -3.908 -15.981 1.966 1.00 0.00 C ATOM 1811 C THR A 121 -5.289 -16.546 2.298 1.00 0.00 C ATOM 1812 O THR A 121 -5.541 -17.745 2.290 1.00 0.00 O ATOM 1813 CB THR A 121 -3.991 -14.635 1.183 1.00 0.00 C ATOM 1814 OG1 THR A 121 -5.001 -14.508 0.130 1.00 0.00 O ATOM 1815 CG2 THR A 121 -2.587 -14.192 0.700 1.00 0.00 C ATOM 0 H THR A 121 -3.349 -16.647 0.097 1.00 0.00 H new ATOM 0 HA THR A 121 -3.376 -15.819 2.903 1.00 0.00 H new ATOM 0 HB THR A 121 -4.373 -13.941 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.942 -13.617 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 121 -2.669 -13.251 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 121 -1.932 -14.058 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 121 -2.171 -14.955 0.043 1.00 0.00 H new ATOM 1823 N SER A 122 -6.154 -15.557 2.581 1.00 0.00 N ATOM 1824 CA SER A 122 -7.531 -15.758 2.949 1.00 0.00 C ATOM 1825 C SER A 122 -8.055 -14.343 3.240 1.00 0.00 C ATOM 1826 O SER A 122 -7.287 -13.398 3.375 1.00 0.00 O ATOM 1827 CB SER A 122 -7.547 -16.641 4.241 1.00 0.00 C ATOM 1828 OG SER A 122 -6.474 -16.431 5.246 1.00 0.00 O ATOM 0 H SER A 122 -5.888 -14.573 2.554 1.00 0.00 H new ATOM 0 HA SER A 122 -8.136 -16.254 2.190 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.504 -16.486 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.514 -17.686 3.931 1.00 0.00 H new ATOM 0 HG SER A 122 -6.017 -15.583 5.064 1.00 0.00 H new ATOM 1834 N PRO A 123 -9.410 -14.207 3.334 1.00 0.00 N ATOM 1835 CA PRO A 123 -10.021 -12.923 3.661 1.00 0.00 C ATOM 1836 C PRO A 123 -9.861 -12.713 5.187 1.00 0.00 C ATOM 1837 O PRO A 123 -10.199 -11.662 5.714 1.00 0.00 O ATOM 1838 CB PRO A 123 -11.494 -13.083 3.265 1.00 0.00 C ATOM 1839 CG PRO A 123 -11.743 -14.592 3.341 1.00 0.00 C ATOM 1840 CD PRO A 123 -10.394 -15.243 3.020 1.00 0.00 C ATOM 0 HA PRO A 123 -9.578 -12.066 3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -12.150 -12.537 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -11.681 -12.699 2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -12.094 -14.883 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -12.508 -14.901 2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -10.232 -16.140 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -10.336 -15.543 1.974 1.00 0.00 H new ATOM 1848 N GLU A 124 -9.322 -13.761 5.862 1.00 0.00 N ATOM 1849 CA GLU A 124 -9.074 -13.737 7.288 1.00 0.00 C ATOM 1850 C GLU A 124 -7.807 -12.885 7.510 1.00 0.00 C ATOM 1851 O GLU A 124 -7.603 -12.318 8.577 1.00 0.00 O ATOM 1852 CB GLU A 124 -8.915 -15.177 7.802 1.00 0.00 C ATOM 1853 CG GLU A 124 -8.592 -15.255 9.301 1.00 0.00 C ATOM 1854 CD GLU A 124 -8.570 -16.717 9.779 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -7.521 -17.354 9.681 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -9.600 -17.202 10.246 1.00 0.00 O ATOM 0 H GLU A 124 -9.054 -14.637 5.413 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.901 -13.297 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.834 -15.729 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -8.122 -15.670 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.625 -14.790 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.335 -14.693 9.868 1.00 0.00 H new ATOM 1863 N THR A 125 -6.985 -12.816 6.434 1.00 0.00 N ATOM 1864 CA THR A 125 -5.746 -12.072 6.436 1.00 0.00 C ATOM 1865 C THR A 125 -6.094 -10.581 6.288 1.00 0.00 C ATOM 1866 O THR A 125 -5.264 -9.730 6.583 1.00 0.00 O ATOM 1867 CB THR A 125 -4.877 -12.572 5.225 1.00 0.00 C ATOM 1868 OG1 THR A 125 -5.060 -13.927 4.707 1.00 0.00 O ATOM 1869 CG2 THR A 125 -3.376 -12.290 5.464 1.00 0.00 C ATOM 0 H THR A 125 -7.182 -13.283 5.549 1.00 0.00 H new ATOM 0 HA THR A 125 -5.182 -12.217 7.358 1.00 0.00 H new ATOM 0 HB THR A 125 -5.292 -11.969 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 125 -5.919 -13.985 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 125 -2.799 -12.646 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 125 -3.222 -11.218 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 125 -3.048 -12.807 6.366 1.00 0.00 H new ATOM 1877 N THR A 126 -7.338 -10.297 5.822 1.00 0.00 N ATOM 1878 CA THR A 126 -7.735 -8.925 5.625 1.00 0.00 C ATOM 1879 C THR A 126 -8.303 -8.349 6.897 1.00 0.00 C ATOM 1880 O THR A 126 -8.358 -7.135 7.057 1.00 0.00 O ATOM 1881 CB THR A 126 -8.776 -8.700 4.536 1.00 0.00 C ATOM 1882 OG1 THR A 126 -10.188 -8.899 4.872 1.00 0.00 O ATOM 1883 CG2 THR A 126 -8.328 -9.335 3.201 1.00 0.00 C ATOM 0 H THR A 126 -8.046 -10.993 5.589 1.00 0.00 H new ATOM 0 HA THR A 126 -6.815 -8.431 5.314 1.00 0.00 H new ATOM 0 HB THR A 126 -8.791 -7.617 4.411 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.325 -9.820 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 126 -9.089 -9.160 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.387 -8.886 2.882 1.00 0.00 H new ATOM 0 HG23 THR A 126 -8.191 -10.408 3.336 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.743 -9.243 7.798 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.205 -8.724 9.072 1.00 0.00 C ATOM 1893 C ILE A 127 -7.912 -8.184 9.731 1.00 0.00 C ATOM 1894 O ILE A 127 -7.930 -7.240 10.509 1.00 0.00 O ATOM 1895 CB ILE A 127 -9.880 -9.853 9.908 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -10.683 -10.892 9.107 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -10.129 -9.344 11.364 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -11.339 -12.026 9.922 1.00 0.00 C ATOM 0 H ILE A 127 -8.785 -10.255 7.675 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.966 -7.949 8.983 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.300 -10.728 10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.465 -10.369 8.557 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -10.020 -11.341 8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -10.601 -10.133 11.949 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -9.178 -9.072 11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.782 -8.472 11.338 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -11.876 -12.694 9.249 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.568 -12.587 10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -12.037 -11.599 10.643 1.00 0.00 H new ATOM 1910 N ALA A 128 -6.794 -8.833 9.300 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.471 -8.503 9.742 1.00 0.00 C ATOM 1912 C ALA A 128 -4.859 -7.471 8.783 1.00 0.00 C ATOM 1913 O ALA A 128 -3.737 -7.055 9.027 1.00 0.00 O ATOM 1914 CB ALA A 128 -4.614 -9.773 9.868 1.00 0.00 C ATOM 0 H ALA A 128 -6.821 -9.602 8.630 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.509 -8.054 10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.613 -9.504 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.070 -10.450 10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.551 -10.267 8.898 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.574 -7.044 7.706 1.00 0.00 N ATOM 1921 CA ASP A 129 -4.981 -6.044 6.821 1.00 0.00 C ATOM 1922 C ASP A 129 -4.934 -4.722 7.606 1.00 0.00 C ATOM 1923 O ASP A 129 -3.878 -4.220 7.964 1.00 0.00 O ATOM 1924 CB ASP A 129 -5.749 -5.912 5.482 1.00 0.00 C ATOM 1925 CG ASP A 129 -5.360 -4.695 4.600 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -4.359 -4.031 4.867 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -6.067 -4.432 3.631 1.00 0.00 O ATOM 0 H ASP A 129 -6.508 -7.364 7.451 1.00 0.00 H new ATOM 0 HA ASP A 129 -3.974 -6.345 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.592 -6.822 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.815 -5.853 5.700 1.00 0.00 H new ATOM 1932 N MET A 130 -6.154 -4.213 7.844 1.00 0.00 N ATOM 1933 CA MET A 130 -6.342 -2.938 8.510 1.00 0.00 C ATOM 1934 C MET A 130 -6.061 -3.062 10.015 1.00 0.00 C ATOM 1935 O MET A 130 -5.928 -2.038 10.670 1.00 0.00 O ATOM 1936 CB MET A 130 -7.774 -2.419 8.287 1.00 0.00 C ATOM 1937 CG MET A 130 -8.111 -2.142 6.818 1.00 0.00 C ATOM 1938 SD MET A 130 -8.308 -3.649 5.866 1.00 0.00 S ATOM 1939 CE MET A 130 -8.551 -2.897 4.257 1.00 0.00 C ATOM 0 H MET A 130 -7.022 -4.678 7.579 1.00 0.00 H new ATOM 0 HA MET A 130 -5.636 -2.227 8.081 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.480 -3.150 8.680 1.00 0.00 H new ATOM 0 HB3 MET A 130 -7.911 -1.502 8.860 1.00 0.00 H new ATOM 0 HG2 MET A 130 -9.030 -1.558 6.763 1.00 0.00 H new ATOM 0 HG3 MET A 130 -7.321 -1.536 6.375 1.00 0.00 H new ATOM 0 HE1 MET A 130 -8.500 -3.665 3.485 1.00 0.00 H new ATOM 0 HE2 MET A 130 -9.528 -2.415 4.225 1.00 0.00 H new ATOM 0 HE3 MET A 130 -7.773 -2.154 4.082 1.00 0.00 H new ATOM 1949 N LYS A 131 -5.972 -4.301 10.556 1.00 0.00 N ATOM 1950 CA LYS A 131 -5.739 -4.419 11.991 1.00 0.00 C ATOM 1951 C LYS A 131 -4.227 -4.459 12.250 1.00 0.00 C ATOM 1952 O LYS A 131 -3.748 -3.796 13.158 1.00 0.00 O ATOM 1953 CB LYS A 131 -6.462 -5.654 12.542 1.00 0.00 C ATOM 1954 CG LYS A 131 -6.319 -5.847 14.058 1.00 0.00 C ATOM 1955 CD LYS A 131 -7.234 -6.959 14.592 1.00 0.00 C ATOM 1956 CE LYS A 131 -6.918 -8.341 14.006 1.00 0.00 C ATOM 1957 NZ LYS A 131 -7.781 -9.382 14.551 1.00 0.00 N ATOM 0 H LYS A 131 -6.054 -5.179 10.044 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.147 -3.555 12.516 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -7.521 -5.580 12.295 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -6.078 -6.540 12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -5.283 -6.087 14.295 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -6.554 -4.911 14.565 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -7.144 -7.003 15.677 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.270 -6.706 14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.031 -8.308 12.922 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -5.877 -8.591 14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -7.531 -10.298 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -7.655 -9.433 15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -8.773 -9.159 14.334 1.00 0.00 H new ATOM 1970 N GLU A 132 -3.486 -5.236 11.425 1.00 0.00 N ATOM 1971 CA GLU A 132 -2.040 -5.370 11.621 1.00 0.00 C ATOM 1972 C GLU A 132 -1.370 -3.996 11.499 1.00 0.00 C ATOM 1973 O GLU A 132 -0.364 -3.725 12.141 1.00 0.00 O ATOM 1974 CB GLU A 132 -1.432 -6.395 10.648 1.00 0.00 C ATOM 1975 CG GLU A 132 0.051 -6.701 10.922 1.00 0.00 C ATOM 1976 CD GLU A 132 0.594 -7.763 9.946 1.00 0.00 C ATOM 1977 OE1 GLU A 132 0.029 -8.856 9.887 1.00 0.00 O ATOM 1978 OE2 GLU A 132 1.575 -7.489 9.256 1.00 0.00 O ATOM 0 H GLU A 132 -3.863 -5.764 10.638 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.856 -5.751 12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.002 -7.322 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.535 -6.022 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.636 -5.786 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.169 -7.052 11.947 1.00 0.00 H new ATOM 1985 N VAL A 133 -1.987 -3.166 10.643 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.517 -1.809 10.393 1.00 0.00 C ATOM 1987 C VAL A 133 -2.184 -0.819 11.378 1.00 0.00 C ATOM 1988 O VAL A 133 -1.561 -0.367 12.332 1.00 0.00 O ATOM 1989 CB VAL A 133 -1.701 -1.490 8.868 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -1.448 0.021 8.588 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -1.423 -2.499 7.731 1.00 0.00 C ATOM 0 H VAL A 133 -2.819 -3.422 10.112 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.451 -1.701 10.594 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.752 -1.750 8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -1.581 0.221 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.155 0.621 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.431 0.280 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.629 -2.029 6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.379 -2.810 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.065 -3.371 7.853 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.463 -0.500 11.074 1.00 0.00 N ATOM 2002 CA LEU A 134 -4.256 0.427 11.871 1.00 0.00 C ATOM 2003 C LEU A 134 -5.006 -0.365 12.953 1.00 0.00 C ATOM 2004 O LEU A 134 -6.231 -0.386 12.985 1.00 0.00 O ATOM 2005 CB LEU A 134 -5.222 1.236 10.986 1.00 0.00 C ATOM 2006 CG LEU A 134 -4.529 2.337 10.126 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -5.653 3.151 9.416 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -3.114 2.879 10.444 1.00 0.00 C ATOM 0 H LEU A 134 -3.961 -0.883 10.270 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.597 1.149 12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -5.750 0.551 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.973 1.706 11.622 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.886 1.912 9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -5.204 3.933 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.240 2.485 8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.302 3.605 10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.841 3.637 9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -3.109 3.320 11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.394 2.062 10.405 1.00 0.00 H new ATOM 2020 N GLY A 135 -4.218 -0.991 13.843 1.00 0.00 N ATOM 2021 CA GLY A 135 -4.823 -1.741 14.942 1.00 0.00 C ATOM 2022 C GLY A 135 -3.776 -2.144 15.984 1.00 0.00 C ATOM 2023 O GLY A 135 -4.031 -2.151 17.182 1.00 0.00 O ATOM 0 H GLY A 135 -3.198 -0.992 13.823 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.596 -1.136 15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.312 -2.633 14.550 1.00 0.00 H new