USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1012 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 39 HIS : no HE2:sc= -6.63! C(o=-11!,f=-14!) USER MOD Set 1.2: A 120 CYS SG : rot -32:sc= -1.28 USER MOD Set 1.3: A 122 CYS SG : rot -89:sc= -1.16 USER MOD Set 1.4: A 127 CYS SG : rot 180:sc= -1.48 USER MOD Set 2.1: A 75 SER OG : rot 81:sc= 0.968 USER MOD Set 2.2: A 82 CYS SG : rot -160:sc= -7.88! USER MOD Set 3.1: A 19 HIS : no HD1:sc= -5.66! C(o=-21!,f=-22!) USER MOD Set 3.2: A 67 THR OG1 : rot -95:sc= -0.931 USER MOD Set 3.3: A 101 ASN : amide:sc= -14! C(o=-21!,f=-27!) USER MOD Set 3.4: A 103 MET CE :methyl 146:sc= -0.312 (180deg=0) USER MOD Set 4.1: A 54 LYS NZ :NH3+ 180:sc= -0.0232 (180deg=0) USER MOD Set 4.2: A 57 HIS : no HD1:sc= -0.0908 X(o=-0.11,f=0.083) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.977 (180deg=-2.14!) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0798 (180deg=-0.0186) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0997 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.154 K(o=-0.15,f=-1) USER MOD Single : A 23 ASN : amide:sc= -5.97! K(o=-6!,f=-1.9) USER MOD Single : A 35 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.13) USER MOD Single : A 36 TYR OH : rot -16:sc= 0.0323 USER MOD Single : A 43 SER OG : rot 180:sc= -0.641 USER MOD Single : A 45 HIS : no HD1:sc= -7.25! C(o=-7.3!,f=-7.6!) USER MOD Single : A 46 TYR OH : rot -130:sc= -0.43 USER MOD Single : A 48 SER OG : rot 180:sc= 0.306 USER MOD Single : A 50 SER OG : rot 130:sc= -1.05 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.15) USER MOD Single : A 61 ASN : amide:sc= -5.28! K(o=-5.3!,f=-2.6) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0936) USER MOD Single : A 71 HIS : no HE2:sc= -16.2! C(o=-16!,f=-17!) USER MOD Single : A 72 SER OG : rot 142:sc= 1.18 USER MOD Single : A 76 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.31) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -3.49 K(o=-3.5,f=-2.7!) USER MOD Single : A 89 TYR OH : rot -30:sc= -5.29! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -6.25 K(o=-6.2,f=-19!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.844 22.330 8.779 1.00 0.00 N ATOM 2 CA MET A 1 5.591 22.382 7.316 1.00 0.00 C ATOM 3 C MET A 1 6.777 21.832 6.530 1.00 0.00 C ATOM 4 O MET A 1 7.826 21.533 7.099 1.00 0.00 O ATOM 5 CB MET A 1 5.324 23.836 6.921 1.00 0.00 C ATOM 6 CG MET A 1 6.508 24.759 7.162 1.00 0.00 C ATOM 7 SD MET A 1 6.602 26.097 5.958 1.00 0.00 S ATOM 8 CE MET A 1 7.875 25.476 4.860 1.00 0.00 C ATOM 0 H1 MET A 1 5.296 21.552 9.199 1.00 0.00 H new ATOM 0 H2 MET A 1 6.857 22.171 8.951 1.00 0.00 H new ATOM 0 H3 MET A 1 5.556 23.230 9.213 1.00 0.00 H new ATOM 0 HA MET A 1 4.726 21.762 7.080 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.054 23.873 5.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.466 24.205 7.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.436 25.182 8.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.430 24.178 7.126 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.371 26.313 4.368 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.606 24.908 5.435 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.423 24.829 4.108 1.00 0.00 H new ATOM 18 N ALA A 2 6.602 21.705 5.218 1.00 0.00 N ATOM 19 CA ALA A 2 7.657 21.192 4.351 1.00 0.00 C ATOM 20 C ALA A 2 8.007 19.751 4.701 1.00 0.00 C ATOM 21 O ALA A 2 8.341 19.442 5.845 1.00 0.00 O ATOM 22 CB ALA A 2 8.892 22.076 4.442 1.00 0.00 C ATOM 0 H ALA A 2 5.739 21.950 4.732 1.00 0.00 H new ATOM 0 HA ALA A 2 7.288 21.207 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.671 21.681 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.638 23.089 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.253 22.092 5.470 1.00 0.00 H new ATOM 28 N MET A 3 7.930 18.871 3.707 1.00 0.00 N ATOM 29 CA MET A 3 8.241 17.460 3.908 1.00 0.00 C ATOM 30 C MET A 3 9.044 16.910 2.734 1.00 0.00 C ATOM 31 O MET A 3 8.479 16.417 1.759 1.00 0.00 O ATOM 32 CB MET A 3 6.953 16.652 4.083 1.00 0.00 C ATOM 33 CG MET A 3 6.500 16.533 5.529 1.00 0.00 C ATOM 34 SD MET A 3 5.374 15.150 5.793 1.00 0.00 S ATOM 35 CE MET A 3 3.821 16.014 6.015 1.00 0.00 C ATOM 0 H MET A 3 7.655 19.110 2.754 1.00 0.00 H new ATOM 0 HA MET A 3 8.843 17.370 4.812 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.159 17.119 3.500 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.103 15.653 3.675 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.373 16.413 6.170 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.009 17.459 5.829 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.024 15.291 6.189 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.896 16.684 6.872 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.596 16.594 5.120 1.00 0.00 H new ATOM 45 N ALA A 4 10.367 17.000 2.834 1.00 0.00 N ATOM 46 CA ALA A 4 11.249 16.514 1.779 1.00 0.00 C ATOM 47 C ALA A 4 12.285 15.542 2.331 1.00 0.00 C ATOM 48 O ALA A 4 13.206 15.939 3.045 1.00 0.00 O ATOM 49 CB ALA A 4 11.934 17.682 1.086 1.00 0.00 C ATOM 0 H ALA A 4 10.851 17.405 3.635 1.00 0.00 H new ATOM 0 HA ALA A 4 10.641 15.978 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.589 17.305 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.181 18.337 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.523 18.242 1.813 1.00 0.00 H new ATOM 55 N ARG A 5 12.130 14.264 1.996 1.00 0.00 N ATOM 56 CA ARG A 5 13.052 13.232 2.456 1.00 0.00 C ATOM 57 C ARG A 5 12.853 11.939 1.670 1.00 0.00 C ATOM 58 O ARG A 5 12.133 11.913 0.672 1.00 0.00 O ATOM 59 CB ARG A 5 12.855 12.974 3.953 1.00 0.00 C ATOM 60 CG ARG A 5 14.049 13.381 4.803 1.00 0.00 C ATOM 61 CD ARG A 5 13.851 14.756 5.423 1.00 0.00 C ATOM 62 NE ARG A 5 14.209 14.776 6.839 1.00 0.00 N ATOM 63 CZ ARG A 5 14.052 15.837 7.628 1.00 0.00 C ATOM 64 NH1 ARG A 5 13.548 16.965 7.142 1.00 0.00 N ATOM 65 NH2 ARG A 5 14.400 15.770 8.906 1.00 0.00 N ATOM 0 H ARG A 5 11.373 13.919 1.406 1.00 0.00 H new ATOM 0 HA ARG A 5 14.070 13.584 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.974 13.518 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 5 12.654 11.914 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.203 12.644 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.950 13.384 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.456 15.486 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.810 15.059 5.308 1.00 0.00 H new ATOM 0 HE ARG A 5 14.602 13.928 7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.279 17.022 6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.430 17.775 7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.788 14.906 9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.280 16.583 9.511 1.00 0.00 H new ATOM 79 N SER A 6 13.493 10.868 2.129 1.00 0.00 N ATOM 80 CA SER A 6 13.383 9.571 1.468 1.00 0.00 C ATOM 81 C SER A 6 11.930 9.111 1.413 1.00 0.00 C ATOM 82 O SER A 6 11.273 9.220 0.378 1.00 0.00 O ATOM 83 CB SER A 6 14.236 8.529 2.196 1.00 0.00 C ATOM 84 OG SER A 6 13.913 7.217 1.770 1.00 0.00 O ATOM 0 H SER A 6 14.092 10.872 2.954 1.00 0.00 H new ATOM 0 HA SER A 6 13.749 9.678 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.292 8.725 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.080 8.614 3.271 1.00 0.00 H new ATOM 0 HG SER A 6 14.473 6.571 2.249 1.00 0.00 H new ATOM 90 N ILE A 7 11.430 8.605 2.537 1.00 0.00 N ATOM 91 CA ILE A 7 10.051 8.138 2.617 1.00 0.00 C ATOM 92 C ILE A 7 9.119 9.287 2.989 1.00 0.00 C ATOM 93 O ILE A 7 9.416 10.070 3.891 1.00 0.00 O ATOM 94 CB ILE A 7 9.904 6.995 3.645 1.00 0.00 C ATOM 95 CG1 ILE A 7 8.452 6.493 3.703 1.00 0.00 C ATOM 96 CG2 ILE A 7 10.386 7.441 5.020 1.00 0.00 C ATOM 97 CD1 ILE A 7 7.522 7.356 4.537 1.00 0.00 C ATOM 0 H ILE A 7 11.959 8.508 3.404 1.00 0.00 H new ATOM 0 HA ILE A 7 9.776 7.755 1.634 1.00 0.00 H new ATOM 0 HB ILE A 7 10.531 6.164 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.060 6.434 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.447 5.480 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.273 6.621 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.436 7.729 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.794 8.293 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.519 6.929 4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.885 7.395 5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.493 8.364 4.124 1.00 0.00 H new ATOM 109 N SER A 8 7.992 9.387 2.292 1.00 0.00 N ATOM 110 CA SER A 8 7.026 10.450 2.566 1.00 0.00 C ATOM 111 C SER A 8 5.614 9.888 2.582 1.00 0.00 C ATOM 112 O SER A 8 5.296 8.991 1.820 1.00 0.00 O ATOM 113 CB SER A 8 7.136 11.557 1.516 1.00 0.00 C ATOM 114 OG SER A 8 8.188 12.454 1.830 1.00 0.00 O ATOM 0 H SER A 8 7.725 8.752 1.540 1.00 0.00 H new ATOM 0 HA SER A 8 7.249 10.873 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.310 11.116 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.194 12.102 1.457 1.00 0.00 H new ATOM 0 HG SER A 8 8.239 13.151 1.143 1.00 0.00 H new ATOM 120 N TYR A 9 4.767 10.402 3.459 1.00 0.00 N ATOM 121 CA TYR A 9 3.400 9.902 3.548 1.00 0.00 C ATOM 122 C TYR A 9 2.379 11.010 3.364 1.00 0.00 C ATOM 123 O TYR A 9 2.625 12.165 3.714 1.00 0.00 O ATOM 124 CB TYR A 9 3.177 9.207 4.883 1.00 0.00 C ATOM 125 CG TYR A 9 3.975 9.792 6.021 1.00 0.00 C ATOM 126 CD1 TYR A 9 5.356 9.656 6.088 1.00 0.00 C ATOM 127 CD2 TYR A 9 3.335 10.486 7.026 1.00 0.00 C ATOM 128 CE1 TYR A 9 6.074 10.199 7.137 1.00 0.00 C ATOM 129 CE2 TYR A 9 4.041 11.034 8.077 1.00 0.00 C ATOM 130 CZ TYR A 9 5.412 10.888 8.129 1.00 0.00 C ATOM 131 OH TYR A 9 6.119 11.433 9.176 1.00 0.00 O ATOM 0 H TYR A 9 4.994 11.153 4.111 1.00 0.00 H new ATOM 0 HA TYR A 9 3.262 9.185 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.117 9.256 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.432 8.152 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.876 9.118 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.262 10.603 6.990 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.147 10.084 7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.523 11.575 8.855 1.00 0.00 H new ATOM 0 HH TYR A 9 5.501 11.886 9.787 1.00 0.00 H new ATOM 141 N ILE A 10 1.228 10.650 2.803 1.00 0.00 N ATOM 142 CA ILE A 10 0.167 11.619 2.562 1.00 0.00 C ATOM 143 C ILE A 10 -1.216 11.019 2.796 1.00 0.00 C ATOM 144 O ILE A 10 -1.422 9.817 2.625 1.00 0.00 O ATOM 145 CB ILE A 10 0.234 12.176 1.125 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.021 11.054 0.104 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.566 12.872 0.888 1.00 0.00 C ATOM 148 CD1 ILE A 10 1.156 10.054 0.048 1.00 0.00 C ATOM 0 H ILE A 10 1.008 9.699 2.508 1.00 0.00 H new ATOM 0 HA ILE A 10 0.324 12.429 3.274 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.564 12.908 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.903 10.528 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.111 11.495 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.598 13.260 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.677 13.696 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.379 12.160 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.932 9.291 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.079 10.566 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.275 9.584 1.024 1.00 0.00 H new ATOM 160 N THR A 11 -2.166 11.873 3.164 1.00 0.00 N ATOM 161 CA THR A 11 -3.539 11.443 3.397 1.00 0.00 C ATOM 162 C THR A 11 -4.263 11.273 2.059 1.00 0.00 C ATOM 163 O THR A 11 -3.740 11.657 1.012 1.00 0.00 O ATOM 164 CB THR A 11 -4.258 12.460 4.303 1.00 0.00 C ATOM 165 OG1 THR A 11 -4.406 11.940 5.611 1.00 0.00 O ATOM 166 CG2 THR A 11 -5.639 12.874 3.824 1.00 0.00 C ATOM 0 H THR A 11 -2.008 12.870 3.308 1.00 0.00 H new ATOM 0 HA THR A 11 -3.542 10.479 3.906 1.00 0.00 H new ATOM 0 HB THR A 11 -3.619 13.343 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.863 12.598 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.067 13.591 4.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.560 13.332 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.282 11.996 3.765 1.00 0.00 H new ATOM 174 N SER A 12 -5.461 10.688 2.097 1.00 0.00 N ATOM 175 CA SER A 12 -6.254 10.461 0.886 1.00 0.00 C ATOM 176 C SER A 12 -6.170 11.644 -0.080 1.00 0.00 C ATOM 177 O SER A 12 -5.562 11.544 -1.142 1.00 0.00 O ATOM 178 CB SER A 12 -7.716 10.194 1.252 1.00 0.00 C ATOM 179 OG SER A 12 -7.844 9.836 2.617 1.00 0.00 O ATOM 0 H SER A 12 -5.905 10.362 2.955 1.00 0.00 H new ATOM 0 HA SER A 12 -5.838 9.588 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.313 11.083 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.111 9.395 0.625 1.00 0.00 H new ATOM 0 HG SER A 12 -8.788 9.673 2.825 1.00 0.00 H new ATOM 185 N THR A 13 -6.783 12.762 0.295 1.00 0.00 N ATOM 186 CA THR A 13 -6.772 13.956 -0.545 1.00 0.00 C ATOM 187 C THR A 13 -5.360 14.469 -0.758 1.00 0.00 C ATOM 188 O THR A 13 -5.026 14.951 -1.839 1.00 0.00 O ATOM 189 CB THR A 13 -7.630 15.062 0.057 1.00 0.00 C ATOM 190 OG1 THR A 13 -7.325 15.247 1.428 1.00 0.00 O ATOM 191 CG2 THR A 13 -9.117 14.800 -0.054 1.00 0.00 C ATOM 0 H THR A 13 -7.292 12.867 1.172 1.00 0.00 H new ATOM 0 HA THR A 13 -7.190 13.670 -1.510 1.00 0.00 H new ATOM 0 HB THR A 13 -7.393 15.954 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.886 15.962 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.667 15.627 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.393 14.708 -1.105 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.363 13.875 0.468 1.00 0.00 H new ATOM 199 N GLN A 14 -4.527 14.366 0.271 1.00 0.00 N ATOM 200 CA GLN A 14 -3.152 14.829 0.161 1.00 0.00 C ATOM 201 C GLN A 14 -2.471 14.117 -1.002 1.00 0.00 C ATOM 202 O GLN A 14 -1.504 14.619 -1.574 1.00 0.00 O ATOM 203 CB GLN A 14 -2.393 14.559 1.458 1.00 0.00 C ATOM 204 CG GLN A 14 -3.067 15.134 2.693 1.00 0.00 C ATOM 205 CD GLN A 14 -3.192 16.644 2.639 1.00 0.00 C ATOM 206 OE1 GLN A 14 -3.997 17.185 1.881 1.00 0.00 O ATOM 207 NE2 GLN A 14 -2.394 17.333 3.446 1.00 0.00 N ATOM 0 H GLN A 14 -4.776 13.972 1.178 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.151 15.904 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.280 13.482 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.390 14.977 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.059 14.695 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.497 14.852 3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.742 16.843 4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.433 18.352 3.454 1.00 0.00 H new ATOM 216 N LEU A 15 -3.010 12.955 -1.364 1.00 0.00 N ATOM 217 CA LEU A 15 -2.490 12.189 -2.481 1.00 0.00 C ATOM 218 C LEU A 15 -2.902 12.824 -3.811 1.00 0.00 C ATOM 219 O LEU A 15 -2.239 12.626 -4.828 1.00 0.00 O ATOM 220 CB LEU A 15 -2.970 10.731 -2.405 1.00 0.00 C ATOM 221 CG LEU A 15 -4.237 10.405 -3.203 1.00 0.00 C ATOM 222 CD1 LEU A 15 -3.890 10.060 -4.642 1.00 0.00 C ATOM 223 CD2 LEU A 15 -4.998 9.262 -2.549 1.00 0.00 C ATOM 0 H LEU A 15 -3.808 12.527 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.402 12.196 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.166 10.084 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.147 10.480 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.876 11.288 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.803 9.832 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.388 10.908 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.230 9.193 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.895 9.043 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.364 8.376 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.281 9.546 -1.536 1.00 0.00 H new ATOM 235 N LEU A 16 -4.014 13.575 -3.812 1.00 0.00 N ATOM 236 CA LEU A 16 -4.487 14.200 -5.046 1.00 0.00 C ATOM 237 C LEU A 16 -3.428 15.132 -5.639 1.00 0.00 C ATOM 238 O LEU A 16 -3.066 15.004 -6.809 1.00 0.00 O ATOM 239 CB LEU A 16 -5.782 14.974 -4.789 1.00 0.00 C ATOM 240 CG LEU A 16 -6.911 14.687 -5.781 1.00 0.00 C ATOM 241 CD1 LEU A 16 -6.438 14.912 -7.209 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.425 13.267 -5.605 1.00 0.00 C ATOM 0 H LEU A 16 -4.588 13.759 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.683 13.406 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.133 14.742 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.561 16.041 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.730 15.377 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.255 14.703 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.118 15.947 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.601 14.247 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.228 13.080 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.612 12.562 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.804 13.140 -4.591 1.00 0.00 H new ATOM 254 N PRO A 17 -2.912 16.080 -4.839 1.00 0.00 N ATOM 255 CA PRO A 17 -1.892 17.029 -5.288 1.00 0.00 C ATOM 256 C PRO A 17 -0.478 16.455 -5.213 1.00 0.00 C ATOM 257 O PRO A 17 0.435 16.947 -5.877 1.00 0.00 O ATOM 258 CB PRO A 17 -2.050 18.176 -4.296 1.00 0.00 C ATOM 259 CG PRO A 17 -2.466 17.510 -3.030 1.00 0.00 C ATOM 260 CD PRO A 17 -3.292 16.313 -3.433 1.00 0.00 C ATOM 0 HA PRO A 17 -2.022 17.311 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.117 18.724 -4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.798 18.894 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.597 17.204 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.045 18.190 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.071 15.446 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.359 16.512 -3.335 1.00 0.00 H new ATOM 268 N LEU A 18 -0.300 15.420 -4.396 1.00 0.00 N ATOM 269 CA LEU A 18 1.007 14.792 -4.231 1.00 0.00 C ATOM 270 C LEU A 18 0.987 13.344 -4.716 1.00 0.00 C ATOM 271 O LEU A 18 1.530 12.452 -4.064 1.00 0.00 O ATOM 272 CB LEU A 18 1.439 14.847 -2.762 1.00 0.00 C ATOM 273 CG LEU A 18 2.872 15.328 -2.522 1.00 0.00 C ATOM 274 CD1 LEU A 18 3.856 14.517 -3.352 1.00 0.00 C ATOM 275 CD2 LEU A 18 2.997 16.810 -2.842 1.00 0.00 C ATOM 0 H LEU A 18 -1.044 14.999 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 18 1.726 15.345 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.757 15.505 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.329 13.852 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 18 3.111 15.182 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.869 14.874 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.786 13.465 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.619 14.629 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.022 17.135 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.737 16.980 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.321 17.378 -2.203 1.00 0.00 H new ATOM 287 N HIS A 19 0.359 13.118 -5.866 1.00 0.00 N ATOM 288 CA HIS A 19 0.269 11.779 -6.441 1.00 0.00 C ATOM 289 C HIS A 19 -0.618 11.785 -7.682 1.00 0.00 C ATOM 290 O HIS A 19 -1.782 11.391 -7.631 1.00 0.00 O ATOM 291 CB HIS A 19 -0.272 10.785 -5.406 1.00 0.00 C ATOM 292 CG HIS A 19 0.701 9.705 -5.049 1.00 0.00 C ATOM 293 ND1 HIS A 19 2.067 9.850 -5.170 1.00 0.00 N ATOM 294 CD2 HIS A 19 0.499 8.455 -4.568 1.00 0.00 C ATOM 295 CE1 HIS A 19 2.662 8.735 -4.782 1.00 0.00 C ATOM 296 NE2 HIS A 19 1.733 7.875 -4.412 1.00 0.00 N ATOM 0 H HIS A 19 -0.095 13.845 -6.419 1.00 0.00 H new ATOM 0 HA HIS A 19 1.271 11.466 -6.734 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.547 11.328 -4.502 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.183 10.329 -5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.455 8.000 -4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.727 8.558 -4.770 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.904 6.931 -4.066 1.00 0.00 H new ATOM 305 N ARG A 20 -0.057 12.241 -8.797 1.00 0.00 N ATOM 306 CA ARG A 20 -0.792 12.308 -10.054 1.00 0.00 C ATOM 307 C ARG A 20 -0.096 11.492 -11.142 1.00 0.00 C ATOM 308 O ARG A 20 0.076 11.961 -12.268 1.00 0.00 O ATOM 309 CB ARG A 20 -0.943 13.764 -10.499 1.00 0.00 C ATOM 310 CG ARG A 20 -1.383 14.699 -9.383 1.00 0.00 C ATOM 311 CD ARG A 20 -1.003 16.144 -9.676 1.00 0.00 C ATOM 312 NE ARG A 20 -2.163 17.032 -9.643 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.085 18.351 -9.487 1.00 0.00 C ATOM 314 NH1 ARG A 20 -0.904 18.942 -9.350 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.191 19.084 -9.470 1.00 0.00 N ATOM 0 H ARG A 20 0.907 12.570 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.782 11.881 -9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.008 14.113 -10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.669 13.814 -11.311 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.463 14.626 -9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.926 14.386 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.268 16.481 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.529 16.203 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.088 16.616 -9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.050 18.384 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.851 19.954 -9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.101 18.636 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.131 20.095 -9.350 1.00 0.00 H new ATOM 329 N ARG A 21 0.298 10.270 -10.798 1.00 0.00 N ATOM 330 CA ARG A 21 0.972 9.388 -11.745 1.00 0.00 C ATOM 331 C ARG A 21 0.372 7.982 -11.702 1.00 0.00 C ATOM 332 O ARG A 21 -0.185 7.568 -10.686 1.00 0.00 O ATOM 333 CB ARG A 21 2.469 9.320 -11.438 1.00 0.00 C ATOM 334 CG ARG A 21 3.200 10.633 -11.666 1.00 0.00 C ATOM 335 CD ARG A 21 4.603 10.600 -11.081 1.00 0.00 C ATOM 336 NE ARG A 21 5.577 11.254 -11.951 1.00 0.00 N ATOM 337 CZ ARG A 21 5.946 10.781 -13.139 1.00 0.00 C ATOM 338 NH1 ARG A 21 5.424 9.652 -13.603 1.00 0.00 N ATOM 339 NH2 ARG A 21 6.840 11.437 -13.866 1.00 0.00 N ATOM 0 H ARG A 21 0.162 9.868 -9.871 1.00 0.00 H new ATOM 0 HA ARG A 21 0.830 9.797 -12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.605 9.014 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.924 8.549 -12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.255 10.839 -12.735 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.635 11.448 -11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.601 11.090 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.902 9.565 -10.916 1.00 0.00 H new ATOM 0 HE ARG A 21 5.999 12.125 -11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.736 9.142 -13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.711 9.294 -14.514 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.245 12.305 -13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.122 11.074 -14.776 1.00 0.00 H new ATOM 353 N PRO A 22 0.484 7.224 -12.809 1.00 0.00 N ATOM 354 CA PRO A 22 -0.045 5.857 -12.887 1.00 0.00 C ATOM 355 C PRO A 22 0.655 4.920 -11.909 1.00 0.00 C ATOM 356 O PRO A 22 0.073 3.943 -11.440 1.00 0.00 O ATOM 357 CB PRO A 22 0.236 5.438 -14.333 1.00 0.00 C ATOM 358 CG PRO A 22 1.338 6.333 -14.787 1.00 0.00 C ATOM 359 CD PRO A 22 1.139 7.635 -14.064 1.00 0.00 C ATOM 0 HA PRO A 22 -1.102 5.812 -12.624 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.530 4.390 -14.390 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.650 5.555 -14.957 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.312 5.902 -14.554 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.304 6.477 -15.867 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.086 8.141 -13.877 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.517 8.323 -14.637 1.00 0.00 H new ATOM 367 N ASN A 23 1.909 5.238 -11.601 1.00 0.00 N ATOM 368 CA ASN A 23 2.703 4.446 -10.669 1.00 0.00 C ATOM 369 C ASN A 23 2.114 4.543 -9.256 1.00 0.00 C ATOM 370 O ASN A 23 2.747 5.113 -8.378 1.00 0.00 O ATOM 371 CB ASN A 23 4.140 4.980 -10.628 1.00 0.00 C ATOM 372 CG ASN A 23 4.683 5.317 -11.998 1.00 0.00 C ATOM 373 OD1 ASN A 23 5.426 6.284 -12.166 1.00 0.00 O ATOM 374 ND2 ASN A 23 4.316 4.520 -12.988 1.00 0.00 N ATOM 0 H ASN A 23 2.399 6.045 -11.987 1.00 0.00 H new ATOM 0 HA ASN A 23 2.694 3.409 -11.004 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.173 5.871 -10.001 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.785 4.236 -10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.651 4.696 -13.935 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.698 3.729 -12.804 1.00 0.00 H new ATOM 381 N ILE A 24 0.902 4.037 -9.026 1.00 0.00 N ATOM 382 CA ILE A 24 0.296 4.156 -7.690 1.00 0.00 C ATOM 383 C ILE A 24 -0.370 2.872 -7.185 1.00 0.00 C ATOM 384 O ILE A 24 -1.269 2.332 -7.830 1.00 0.00 O ATOM 385 CB ILE A 24 -0.747 5.294 -7.671 1.00 0.00 C ATOM 386 CG1 ILE A 24 -1.383 5.431 -6.283 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.816 5.048 -8.724 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.375 5.566 -5.163 1.00 0.00 C ATOM 0 H ILE A 24 0.331 3.554 -9.720 1.00 0.00 H new ATOM 0 HA ILE A 24 1.126 4.372 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.236 6.229 -7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.038 6.302 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.010 4.560 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.545 5.858 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.353 5.007 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.318 4.102 -8.519 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.899 5.659 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.265 4.684 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.236 6.453 -5.329 1.00 0.00 H new ATOM 400 N ALA A 25 0.049 2.420 -5.995 1.00 0.00 N ATOM 401 CA ALA A 25 -0.539 1.235 -5.368 1.00 0.00 C ATOM 402 C ALA A 25 -0.303 1.239 -3.855 1.00 0.00 C ATOM 403 O ALA A 25 0.805 1.504 -3.394 1.00 0.00 O ATOM 404 CB ALA A 25 0.001 -0.043 -5.987 1.00 0.00 C ATOM 0 H ALA A 25 0.792 2.858 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.614 1.269 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.455 -0.904 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.236 -0.060 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.082 -0.082 -5.856 1.00 0.00 H new ATOM 410 N ILE A 26 -1.349 0.939 -3.085 1.00 0.00 N ATOM 411 CA ILE A 26 -1.240 0.908 -1.626 1.00 0.00 C ATOM 412 C ILE A 26 -1.191 -0.539 -1.120 1.00 0.00 C ATOM 413 O ILE A 26 -2.119 -1.340 -1.344 1.00 0.00 O ATOM 414 CB ILE A 26 -2.392 1.684 -0.962 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.440 3.123 -1.485 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.255 1.680 0.556 1.00 0.00 C ATOM 417 CD1 ILE A 26 -2.917 3.235 -2.917 1.00 0.00 C ATOM 0 H ILE A 26 -2.277 0.715 -3.444 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.308 1.401 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.325 1.183 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.098 3.711 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.445 3.562 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.082 2.235 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.272 0.653 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.312 2.149 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.925 4.283 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.246 2.676 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.925 2.827 -2.998 1.00 0.00 H new ATOM 429 N ILE A 27 -0.073 -0.874 -0.474 1.00 0.00 N ATOM 430 CA ILE A 27 0.164 -2.220 0.031 1.00 0.00 C ATOM 431 C ILE A 27 -0.182 -2.406 1.513 1.00 0.00 C ATOM 432 O ILE A 27 0.303 -1.680 2.379 1.00 0.00 O ATOM 433 CB ILE A 27 1.630 -2.659 -0.223 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.615 -1.925 0.702 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.997 -2.435 -1.683 1.00 0.00 C ATOM 436 CD1 ILE A 27 2.866 -0.480 0.324 1.00 0.00 C ATOM 0 H ILE A 27 0.688 -0.221 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.520 -2.858 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 27 1.704 -3.722 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.232 -1.960 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.565 -2.459 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.028 -2.746 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.333 -3.020 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.893 -1.378 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.572 -0.037 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.280 -0.434 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.927 0.073 0.356 1.00 0.00 H new ATOM 448 N ASP A 28 -1.007 -3.416 1.789 1.00 0.00 N ATOM 449 CA ASP A 28 -1.394 -3.739 3.168 1.00 0.00 C ATOM 450 C ASP A 28 -0.857 -5.125 3.624 1.00 0.00 C ATOM 451 O ASP A 28 -0.357 -5.930 2.833 1.00 0.00 O ATOM 452 CB ASP A 28 -2.920 -3.656 3.318 1.00 0.00 C ATOM 453 CG ASP A 28 -3.556 -4.950 3.787 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.525 -5.217 5.007 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.084 -5.695 2.934 1.00 0.00 O ATOM 0 H ASP A 28 -1.420 -4.024 1.082 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.934 -3.000 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.164 -2.864 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.356 -3.373 2.360 1.00 0.00 H new ATOM 460 N VAL A 29 -0.956 -5.384 4.926 1.00 0.00 N ATOM 461 CA VAL A 29 -0.485 -6.641 5.501 1.00 0.00 C ATOM 462 C VAL A 29 -1.649 -7.513 5.975 1.00 0.00 C ATOM 463 O VAL A 29 -1.622 -8.055 7.079 1.00 0.00 O ATOM 464 CB VAL A 29 0.482 -6.414 6.680 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.830 -5.925 6.180 1.00 0.00 C ATOM 466 CG2 VAL A 29 -0.110 -5.446 7.693 1.00 0.00 C ATOM 0 H VAL A 29 -1.359 -4.738 5.604 1.00 0.00 H new ATOM 0 HA VAL A 29 0.050 -7.155 4.702 1.00 0.00 H new ATOM 0 HB VAL A 29 0.634 -7.369 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.498 -5.771 7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.261 -6.668 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.700 -4.985 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.593 -5.304 8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.303 -4.488 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.044 -5.852 8.081 1.00 0.00 H new ATOM 476 N ARG A 30 -2.661 -7.658 5.123 1.00 0.00 N ATOM 477 CA ARG A 30 -3.821 -8.482 5.449 1.00 0.00 C ATOM 478 C ARG A 30 -3.840 -9.742 4.588 1.00 0.00 C ATOM 479 O ARG A 30 -3.734 -9.670 3.363 1.00 0.00 O ATOM 480 CB ARG A 30 -5.117 -7.692 5.251 1.00 0.00 C ATOM 481 CG ARG A 30 -5.747 -7.217 6.551 1.00 0.00 C ATOM 482 CD ARG A 30 -4.816 -6.293 7.320 1.00 0.00 C ATOM 483 NE ARG A 30 -5.254 -6.104 8.702 1.00 0.00 N ATOM 484 CZ ARG A 30 -4.448 -5.720 9.692 1.00 0.00 C ATOM 485 NH1 ARG A 30 -3.162 -5.488 9.458 1.00 0.00 N ATOM 486 NH2 ARG A 30 -4.931 -5.569 10.917 1.00 0.00 N ATOM 0 H ARG A 30 -2.701 -7.217 4.204 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.747 -8.773 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.912 -6.828 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.834 -8.315 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.680 -6.696 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.998 -8.078 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.807 -6.706 7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.769 -5.326 6.819 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.235 -6.276 8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.786 -5.603 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.550 -5.194 10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.918 -5.747 11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.315 -5.275 11.675 1.00 0.00 H new ATOM 500 N ASP A 31 -3.967 -10.895 5.239 1.00 0.00 N ATOM 501 CA ASP A 31 -3.995 -12.182 4.545 1.00 0.00 C ATOM 502 C ASP A 31 -4.919 -12.149 3.328 1.00 0.00 C ATOM 503 O ASP A 31 -5.637 -11.175 3.104 1.00 0.00 O ATOM 504 CB ASP A 31 -4.442 -13.286 5.504 1.00 0.00 C ATOM 505 CG ASP A 31 -3.274 -13.951 6.206 1.00 0.00 C ATOM 506 OD1 ASP A 31 -2.805 -13.405 7.227 1.00 0.00 O ATOM 507 OD2 ASP A 31 -2.828 -15.019 5.735 1.00 0.00 O ATOM 0 H ASP A 31 -4.053 -10.966 6.253 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.984 -12.389 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.118 -12.865 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.005 -14.038 4.951 1.00 0.00 H new ATOM 512 N GLU A 32 -4.888 -13.225 2.548 1.00 0.00 N ATOM 513 CA GLU A 32 -5.711 -13.335 1.347 1.00 0.00 C ATOM 514 C GLU A 32 -7.183 -13.047 1.643 1.00 0.00 C ATOM 515 O GLU A 32 -7.897 -12.507 0.801 1.00 0.00 O ATOM 516 CB GLU A 32 -5.568 -14.732 0.737 1.00 0.00 C ATOM 517 CG GLU A 32 -6.333 -14.911 -0.562 1.00 0.00 C ATOM 518 CD GLU A 32 -5.847 -13.982 -1.658 1.00 0.00 C ATOM 519 OE1 GLU A 32 -4.807 -14.289 -2.278 1.00 0.00 O ATOM 520 OE2 GLU A 32 -6.506 -12.948 -1.896 1.00 0.00 O ATOM 0 H GLU A 32 -4.298 -14.038 2.727 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.359 -12.588 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.512 -14.934 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.916 -15.471 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.236 -15.944 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.393 -14.732 -0.383 1.00 0.00 H new ATOM 527 N GLU A 33 -7.629 -13.412 2.842 1.00 0.00 N ATOM 528 CA GLU A 33 -9.018 -13.194 3.238 1.00 0.00 C ATOM 529 C GLU A 33 -9.286 -11.719 3.503 1.00 0.00 C ATOM 530 O GLU A 33 -10.189 -11.128 2.914 1.00 0.00 O ATOM 531 CB GLU A 33 -9.353 -14.021 4.482 1.00 0.00 C ATOM 532 CG GLU A 33 -10.834 -14.039 4.822 1.00 0.00 C ATOM 533 CD GLU A 33 -11.467 -15.401 4.604 1.00 0.00 C ATOM 534 OE1 GLU A 33 -11.230 -16.305 5.432 1.00 0.00 O ATOM 535 OE2 GLU A 33 -12.198 -15.562 3.603 1.00 0.00 O ATOM 0 H GLU A 33 -7.051 -13.859 3.554 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.657 -13.515 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.012 -15.045 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.799 -13.623 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.968 -13.743 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.352 -13.300 4.211 1.00 0.00 H new ATOM 542 N ARG A 34 -8.489 -11.125 4.376 1.00 0.00 N ATOM 543 CA ARG A 34 -8.641 -9.715 4.691 1.00 0.00 C ATOM 544 C ARG A 34 -8.208 -8.858 3.503 1.00 0.00 C ATOM 545 O ARG A 34 -8.471 -7.657 3.462 1.00 0.00 O ATOM 546 CB ARG A 34 -7.830 -9.354 5.936 1.00 0.00 C ATOM 547 CG ARG A 34 -8.304 -10.066 7.193 1.00 0.00 C ATOM 548 CD ARG A 34 -8.373 -9.119 8.379 1.00 0.00 C ATOM 549 NE ARG A 34 -7.118 -9.084 9.124 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.641 -10.113 9.821 1.00 0.00 C ATOM 551 NH1 ARG A 34 -7.311 -11.257 9.872 1.00 0.00 N ATOM 552 NH2 ARG A 34 -5.491 -9.996 10.468 1.00 0.00 N ATOM 0 H ARG A 34 -7.734 -11.594 4.876 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.693 -9.516 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.782 -9.599 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.883 -8.277 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.288 -10.501 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.628 -10.889 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.615 -8.116 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.180 -9.428 9.043 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.575 -8.221 9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.197 -11.352 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.940 -12.042 10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.972 -9.118 10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.124 -10.783 11.003 1.00 0.00 H new ATOM 566 N ASN A 35 -7.545 -9.491 2.533 1.00 0.00 N ATOM 567 CA ASN A 35 -7.080 -8.794 1.343 1.00 0.00 C ATOM 568 C ASN A 35 -8.253 -8.441 0.434 1.00 0.00 C ATOM 569 O ASN A 35 -8.446 -7.281 0.078 1.00 0.00 O ATOM 570 CB ASN A 35 -6.069 -9.656 0.584 1.00 0.00 C ATOM 571 CG ASN A 35 -5.469 -8.934 -0.607 1.00 0.00 C ATOM 572 OD1 ASN A 35 -6.026 -8.952 -1.704 1.00 0.00 O ATOM 573 ND2 ASN A 35 -4.325 -8.294 -0.396 1.00 0.00 N ATOM 0 H ASN A 35 -7.320 -10.486 2.553 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.593 -7.870 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.271 -9.956 1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.558 -10.569 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.873 -7.791 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.898 -8.305 0.530 1.00 0.00 H new ATOM 580 N TYR A 36 -9.038 -9.449 0.065 1.00 0.00 N ATOM 581 CA TYR A 36 -10.195 -9.235 -0.799 1.00 0.00 C ATOM 582 C TYR A 36 -11.341 -8.588 -0.020 1.00 0.00 C ATOM 583 O TYR A 36 -12.233 -7.972 -0.606 1.00 0.00 O ATOM 584 CB TYR A 36 -10.654 -10.562 -1.418 1.00 0.00 C ATOM 585 CG TYR A 36 -11.586 -11.365 -0.537 1.00 0.00 C ATOM 586 CD1 TYR A 36 -11.103 -12.064 0.561 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.949 -11.419 -0.800 1.00 0.00 C ATOM 588 CE1 TYR A 36 -11.949 -12.794 1.371 1.00 0.00 C ATOM 589 CE2 TYR A 36 -13.803 -12.147 0.006 1.00 0.00 C ATOM 590 CZ TYR A 36 -13.299 -12.833 1.091 1.00 0.00 C ATOM 591 OH TYR A 36 -14.145 -13.560 1.895 1.00 0.00 O ATOM 0 H TYR A 36 -8.895 -10.418 0.349 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.901 -8.559 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.154 -10.355 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.776 -11.167 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.047 -12.036 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.348 -10.883 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -11.556 -13.332 2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.860 -12.179 -0.213 1.00 0.00 H new ATOM 0 HH TYR A 36 -13.622 -14.179 2.445 1.00 0.00 H new ATOM 601 N ASP A 37 -11.311 -8.741 1.306 1.00 0.00 N ATOM 602 CA ASP A 37 -12.342 -8.183 2.183 1.00 0.00 C ATOM 603 C ASP A 37 -12.773 -6.783 1.740 1.00 0.00 C ATOM 604 O ASP A 37 -13.928 -6.397 1.917 1.00 0.00 O ATOM 605 CB ASP A 37 -11.836 -8.135 3.625 1.00 0.00 C ATOM 606 CG ASP A 37 -12.947 -7.856 4.618 1.00 0.00 C ATOM 607 OD1 ASP A 37 -13.995 -8.530 4.542 1.00 0.00 O ATOM 608 OD2 ASP A 37 -12.768 -6.963 5.472 1.00 0.00 O ATOM 0 H ASP A 37 -10.578 -9.251 1.798 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.213 -8.836 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.361 -9.084 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -11.071 -7.363 3.713 1.00 0.00 H new ATOM 613 N GLY A 38 -11.840 -6.029 1.165 1.00 0.00 N ATOM 614 CA GLY A 38 -12.153 -4.681 0.707 1.00 0.00 C ATOM 615 C GLY A 38 -13.353 -4.651 -0.223 1.00 0.00 C ATOM 616 O GLY A 38 -13.623 -5.628 -0.922 1.00 0.00 O ATOM 0 H GLY A 38 -10.876 -6.323 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.349 -4.043 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.287 -4.265 0.192 1.00 0.00 H new ATOM 620 N HIS A 39 -14.085 -3.535 -0.231 1.00 0.00 N ATOM 621 CA HIS A 39 -15.254 -3.403 -1.071 1.00 0.00 C ATOM 622 C HIS A 39 -15.191 -2.084 -1.856 1.00 0.00 C ATOM 623 O HIS A 39 -15.237 -1.002 -1.270 1.00 0.00 O ATOM 624 CB HIS A 39 -16.508 -3.475 -0.186 1.00 0.00 C ATOM 625 CG HIS A 39 -16.904 -4.872 0.185 1.00 0.00 C ATOM 626 ND1 HIS A 39 -16.282 -5.964 -0.367 1.00 0.00 N ATOM 627 CD2 HIS A 39 -17.846 -5.299 1.064 1.00 0.00 C ATOM 628 CE1 HIS A 39 -16.850 -7.022 0.184 1.00 0.00 C ATOM 629 NE2 HIS A 39 -17.803 -6.669 1.057 1.00 0.00 N ATOM 0 H HIS A 39 -13.880 -2.714 0.339 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.292 -4.214 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.332 -2.903 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -17.338 -2.998 -0.707 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -15.534 -5.960 -1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -18.503 -4.679 1.655 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -16.580 -8.043 -0.041 1.00 0.00 H new ATOM 637 N ILE A 40 -15.061 -2.187 -3.186 1.00 0.00 N ATOM 638 CA ILE A 40 -14.966 -1.003 -4.047 1.00 0.00 C ATOM 639 C ILE A 40 -13.733 -0.177 -3.659 1.00 0.00 C ATOM 640 O ILE A 40 -13.624 1.012 -3.957 1.00 0.00 O ATOM 641 CB ILE A 40 -16.275 -0.158 -3.972 1.00 0.00 C ATOM 642 CG1 ILE A 40 -16.924 -0.068 -5.354 1.00 0.00 C ATOM 643 CG2 ILE A 40 -16.050 1.239 -3.405 1.00 0.00 C ATOM 644 CD1 ILE A 40 -18.364 0.394 -5.314 1.00 0.00 C ATOM 0 H ILE A 40 -15.019 -3.075 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.849 -1.322 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 40 -16.944 -0.674 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -16.347 0.619 -5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -16.877 -1.046 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -16.997 1.778 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -15.648 1.161 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -15.344 1.778 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -18.761 0.435 -6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -18.954 -0.305 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -18.416 1.385 -4.864 1.00 0.00 H new ATOM 656 N ALA A 41 -12.804 -0.849 -2.991 1.00 0.00 N ATOM 657 CA ALA A 41 -11.566 -0.254 -2.529 1.00 0.00 C ATOM 658 C ALA A 41 -10.414 -1.243 -2.651 1.00 0.00 C ATOM 659 O ALA A 41 -10.587 -2.444 -2.443 1.00 0.00 O ATOM 660 CB ALA A 41 -11.711 0.218 -1.090 1.00 0.00 C ATOM 0 H ALA A 41 -12.895 -1.837 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.344 0.608 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.773 0.663 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.507 0.961 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.957 -0.631 -0.452 1.00 0.00 H new ATOM 666 N GLY A 42 -9.244 -0.741 -3.002 1.00 0.00 N ATOM 667 CA GLY A 42 -8.069 -1.580 -3.134 1.00 0.00 C ATOM 668 C GLY A 42 -7.081 -1.308 -2.018 1.00 0.00 C ATOM 669 O GLY A 42 -7.436 -1.413 -0.844 1.00 0.00 O ATOM 0 H GLY A 42 -9.083 0.246 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.363 -2.629 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.594 -1.398 -4.098 1.00 0.00 H new ATOM 673 N SER A 43 -5.843 -0.947 -2.358 1.00 0.00 N ATOM 674 CA SER A 43 -4.849 -0.659 -1.327 1.00 0.00 C ATOM 675 C SER A 43 -4.702 -1.854 -0.391 1.00 0.00 C ATOM 676 O SER A 43 -4.879 -1.733 0.820 1.00 0.00 O ATOM 677 CB SER A 43 -5.292 0.569 -0.527 1.00 0.00 C ATOM 678 OG SER A 43 -5.419 1.707 -1.361 1.00 0.00 O ATOM 0 H SER A 43 -5.511 -0.849 -3.317 1.00 0.00 H new ATOM 0 HA SER A 43 -3.887 -0.462 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.245 0.364 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.568 0.772 0.262 1.00 0.00 H new ATOM 0 HG SER A 43 -5.705 2.476 -0.824 1.00 0.00 H new ATOM 684 N LEU A 44 -4.418 -3.014 -0.965 1.00 0.00 N ATOM 685 CA LEU A 44 -4.295 -4.238 -0.178 1.00 0.00 C ATOM 686 C LEU A 44 -3.018 -5.025 -0.464 1.00 0.00 C ATOM 687 O LEU A 44 -2.684 -5.296 -1.598 1.00 0.00 O ATOM 688 CB LEU A 44 -5.514 -5.128 -0.418 1.00 0.00 C ATOM 689 CG LEU A 44 -6.841 -4.545 0.075 1.00 0.00 C ATOM 690 CD1 LEU A 44 -7.955 -4.832 -0.921 1.00 0.00 C ATOM 691 CD2 LEU A 44 -7.190 -5.100 1.450 1.00 0.00 C ATOM 0 H LEU A 44 -4.269 -3.136 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.241 -3.931 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.596 -5.328 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.349 -6.087 0.074 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.732 -3.464 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.890 -4.410 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.708 -4.383 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.066 -5.910 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.136 -4.675 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.280 -6.185 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.404 -4.838 2.158 1.00 0.00 H new ATOM 703 N HIS A 45 -2.324 -5.415 0.582 1.00 0.00 N ATOM 704 CA HIS A 45 -1.123 -6.229 0.451 1.00 0.00 C ATOM 705 C HIS A 45 -1.226 -7.450 1.355 1.00 0.00 C ATOM 706 O HIS A 45 -1.933 -7.436 2.363 1.00 0.00 O ATOM 707 CB HIS A 45 0.195 -5.460 0.622 1.00 0.00 C ATOM 708 CG HIS A 45 1.404 -6.251 0.227 1.00 0.00 C ATOM 709 ND1 HIS A 45 2.517 -6.377 1.031 1.00 0.00 N ATOM 710 CD2 HIS A 45 1.676 -6.953 -0.899 1.00 0.00 C ATOM 711 CE1 HIS A 45 3.420 -7.123 0.417 1.00 0.00 C ATOM 712 NE2 HIS A 45 2.933 -7.484 -0.754 1.00 0.00 N ATOM 0 H HIS A 45 -2.569 -5.182 1.544 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.079 -6.565 -0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.155 -4.549 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.295 -5.154 1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.025 -7.073 -1.752 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.391 -7.391 0.808 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.413 -8.065 -1.441 1.00 0.00 H new ATOM 721 N TYR A 46 -0.556 -8.492 0.952 1.00 0.00 N ATOM 722 CA TYR A 46 -0.528 -9.785 1.650 1.00 0.00 C ATOM 723 C TYR A 46 -0.553 -9.651 3.177 1.00 0.00 C ATOM 724 O TYR A 46 -0.871 -8.606 3.716 1.00 0.00 O ATOM 725 CB TYR A 46 0.749 -10.522 1.247 1.00 0.00 C ATOM 726 CG TYR A 46 1.993 -10.031 1.975 1.00 0.00 C ATOM 727 CD1 TYR A 46 2.063 -8.743 2.522 1.00 0.00 C ATOM 728 CD2 TYR A 46 3.098 -10.858 2.113 1.00 0.00 C ATOM 729 CE1 TYR A 46 3.201 -8.311 3.176 1.00 0.00 C ATOM 730 CE2 TYR A 46 4.235 -10.429 2.768 1.00 0.00 C ATOM 731 CZ TYR A 46 4.282 -9.158 3.297 1.00 0.00 C ATOM 732 OH TYR A 46 5.417 -8.730 3.948 1.00 0.00 O ATOM 0 H TYR A 46 0.010 -8.484 0.103 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.427 -10.330 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.621 -11.587 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.899 -10.411 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.216 -8.079 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.068 -11.856 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.243 -7.315 3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.085 -11.088 2.865 1.00 0.00 H new ATOM 0 HH TYR A 46 6.202 -8.912 3.390 1.00 0.00 H new ATOM 742 N ALA A 47 -0.171 -10.727 3.861 1.00 0.00 N ATOM 743 CA ALA A 47 -0.107 -10.734 5.314 1.00 0.00 C ATOM 744 C ALA A 47 1.327 -10.492 5.770 1.00 0.00 C ATOM 745 O ALA A 47 2.165 -10.050 4.986 1.00 0.00 O ATOM 746 CB ALA A 47 -0.618 -12.059 5.860 1.00 0.00 C ATOM 0 H ALA A 47 0.100 -11.609 3.426 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.741 -9.935 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.564 -12.049 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.652 -12.206 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.004 -12.873 5.474 1.00 0.00 H new ATOM 752 N SER A 48 1.614 -10.797 7.030 1.00 0.00 N ATOM 753 CA SER A 48 2.962 -10.620 7.559 1.00 0.00 C ATOM 754 C SER A 48 3.428 -11.866 8.295 1.00 0.00 C ATOM 755 O SER A 48 4.385 -11.825 9.068 1.00 0.00 O ATOM 756 CB SER A 48 3.024 -9.398 8.479 1.00 0.00 C ATOM 757 OG SER A 48 3.801 -8.363 7.900 1.00 0.00 O ATOM 0 H SER A 48 0.938 -11.165 7.700 1.00 0.00 H new ATOM 0 HA SER A 48 3.634 -10.454 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.015 -9.034 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.451 -9.684 9.440 1.00 0.00 H new ATOM 0 HG SER A 48 3.824 -7.593 8.506 1.00 0.00 H new ATOM 763 N GLY A 49 2.770 -12.981 8.015 1.00 0.00 N ATOM 764 CA GLY A 49 3.154 -14.236 8.624 1.00 0.00 C ATOM 765 C GLY A 49 4.351 -14.833 7.913 1.00 0.00 C ATOM 766 O GLY A 49 5.021 -15.726 8.432 1.00 0.00 O ATOM 0 H GLY A 49 1.977 -13.038 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.392 -14.078 9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.318 -14.934 8.588 1.00 0.00 H new ATOM 770 N SER A 50 4.616 -14.318 6.713 1.00 0.00 N ATOM 771 CA SER A 50 5.731 -14.767 5.902 1.00 0.00 C ATOM 772 C SER A 50 6.837 -13.718 5.884 1.00 0.00 C ATOM 773 O SER A 50 7.992 -14.020 6.182 1.00 0.00 O ATOM 774 CB SER A 50 5.260 -15.052 4.473 1.00 0.00 C ATOM 775 OG SER A 50 5.751 -16.300 4.014 1.00 0.00 O ATOM 0 H SER A 50 4.060 -13.579 6.282 1.00 0.00 H new ATOM 0 HA SER A 50 6.128 -15.684 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.171 -15.051 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.600 -14.257 3.809 1.00 0.00 H new ATOM 0 HG SER A 50 5.012 -16.826 3.644 1.00 0.00 H new ATOM 781 N PHE A 51 6.479 -12.484 5.506 1.00 0.00 N ATOM 782 CA PHE A 51 7.438 -11.386 5.419 1.00 0.00 C ATOM 783 C PHE A 51 8.682 -11.817 4.673 1.00 0.00 C ATOM 784 O PHE A 51 9.747 -11.212 4.788 1.00 0.00 O ATOM 785 CB PHE A 51 7.801 -10.873 6.805 1.00 0.00 C ATOM 786 CG PHE A 51 8.519 -11.875 7.664 1.00 0.00 C ATOM 787 CD1 PHE A 51 9.897 -12.007 7.595 1.00 0.00 C ATOM 788 CD2 PHE A 51 7.816 -12.682 8.544 1.00 0.00 C ATOM 789 CE1 PHE A 51 10.560 -12.926 8.386 1.00 0.00 C ATOM 790 CE2 PHE A 51 8.474 -13.604 9.338 1.00 0.00 C ATOM 791 CZ PHE A 51 9.848 -13.725 9.259 1.00 0.00 C ATOM 0 H PHE A 51 5.525 -12.225 5.255 1.00 0.00 H new ATOM 0 HA PHE A 51 6.969 -10.573 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.427 -9.987 6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.890 -10.561 7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.459 -11.384 6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.742 -12.590 8.611 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.634 -13.019 8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.914 -14.228 10.019 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.364 -14.443 9.879 1.00 0.00 H new ATOM 801 N ASP A 52 8.515 -12.862 3.892 1.00 0.00 N ATOM 802 CA ASP A 52 9.583 -13.402 3.088 1.00 0.00 C ATOM 803 C ASP A 52 9.011 -14.174 1.905 1.00 0.00 C ATOM 804 O ASP A 52 9.689 -15.010 1.307 1.00 0.00 O ATOM 805 CB ASP A 52 10.490 -14.306 3.924 1.00 0.00 C ATOM 806 CG ASP A 52 11.842 -14.523 3.275 1.00 0.00 C ATOM 807 OD1 ASP A 52 12.225 -13.706 2.410 1.00 0.00 O ATOM 808 OD2 ASP A 52 12.520 -15.511 3.630 1.00 0.00 O ATOM 0 H ASP A 52 7.630 -13.361 3.798 1.00 0.00 H new ATOM 0 HA ASP A 52 10.183 -12.573 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.630 -13.864 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.002 -15.269 4.072 1.00 0.00 H new ATOM 813 N ASP A 53 7.751 -13.889 1.579 1.00 0.00 N ATOM 814 CA ASP A 53 7.076 -14.549 0.478 1.00 0.00 C ATOM 815 C ASP A 53 6.790 -13.565 -0.653 1.00 0.00 C ATOM 816 O ASP A 53 6.611 -13.969 -1.802 1.00 0.00 O ATOM 817 CB ASP A 53 5.773 -15.187 0.972 1.00 0.00 C ATOM 818 CG ASP A 53 4.704 -14.160 1.294 1.00 0.00 C ATOM 819 OD1 ASP A 53 5.054 -13.081 1.818 1.00 0.00 O ATOM 820 OD2 ASP A 53 3.516 -14.434 1.021 1.00 0.00 O ATOM 0 H ASP A 53 7.180 -13.200 2.069 1.00 0.00 H new ATOM 0 HA ASP A 53 7.730 -15.330 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.397 -15.871 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.979 -15.782 1.862 1.00 0.00 H new ATOM 825 N LYS A 54 6.746 -12.272 -0.329 1.00 0.00 N ATOM 826 CA LYS A 54 6.478 -11.256 -1.344 1.00 0.00 C ATOM 827 C LYS A 54 7.743 -10.476 -1.700 1.00 0.00 C ATOM 828 O LYS A 54 7.681 -9.430 -2.344 1.00 0.00 O ATOM 829 CB LYS A 54 5.386 -10.302 -0.862 1.00 0.00 C ATOM 830 CG LYS A 54 4.029 -10.971 -0.721 1.00 0.00 C ATOM 831 CD LYS A 54 3.612 -11.665 -2.007 1.00 0.00 C ATOM 832 CE LYS A 54 2.143 -12.049 -1.979 1.00 0.00 C ATOM 833 NZ LYS A 54 1.595 -12.249 -3.349 1.00 0.00 N ATOM 0 H LYS A 54 6.890 -11.909 0.613 1.00 0.00 H new ATOM 0 HA LYS A 54 6.134 -11.765 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.678 -9.881 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.303 -9.471 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.063 -11.698 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.281 -10.225 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.801 -11.007 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.220 -12.558 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.018 -12.965 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.574 -11.271 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.590 -12.510 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.691 -11.368 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.121 -13.009 -3.826 1.00 0.00 H new ATOM 847 N ILE A 55 8.890 -11.003 -1.279 1.00 0.00 N ATOM 848 CA ILE A 55 10.169 -10.363 -1.556 1.00 0.00 C ATOM 849 C ILE A 55 10.682 -10.792 -2.927 1.00 0.00 C ATOM 850 O ILE A 55 11.309 -10.020 -3.649 1.00 0.00 O ATOM 851 CB ILE A 55 11.236 -10.678 -0.472 1.00 0.00 C ATOM 852 CG1 ILE A 55 10.591 -11.227 0.801 1.00 0.00 C ATOM 853 CG2 ILE A 55 12.034 -9.430 -0.132 1.00 0.00 C ATOM 854 CD1 ILE A 55 9.646 -10.248 1.465 1.00 0.00 C ATOM 0 H ILE A 55 8.958 -11.870 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 55 10.000 -9.286 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 55 11.903 -11.437 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.046 -12.140 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.374 -11.501 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.777 -9.669 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.537 -9.064 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.362 -8.660 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.224 -10.701 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.191 -9.344 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.842 -9.993 0.774 1.00 0.00 H new ATOM 866 N SER A 56 10.374 -12.028 -3.284 1.00 0.00 N ATOM 867 CA SER A 56 10.759 -12.566 -4.580 1.00 0.00 C ATOM 868 C SER A 56 9.717 -12.185 -5.614 1.00 0.00 C ATOM 869 O SER A 56 9.938 -12.278 -6.821 1.00 0.00 O ATOM 870 CB SER A 56 10.927 -14.086 -4.513 1.00 0.00 C ATOM 871 OG SER A 56 12.286 -14.443 -4.332 1.00 0.00 O ATOM 0 H SER A 56 9.857 -12.680 -2.693 1.00 0.00 H new ATOM 0 HA SER A 56 11.720 -12.141 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.331 -14.485 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.549 -14.537 -5.430 1.00 0.00 H new ATOM 0 HG SER A 56 12.365 -15.419 -4.291 1.00 0.00 H new ATOM 877 N HIS A 57 8.592 -11.725 -5.106 1.00 0.00 N ATOM 878 CA HIS A 57 7.481 -11.279 -5.919 1.00 0.00 C ATOM 879 C HIS A 57 7.819 -9.939 -6.544 1.00 0.00 C ATOM 880 O HIS A 57 7.714 -9.753 -7.755 1.00 0.00 O ATOM 881 CB HIS A 57 6.242 -11.146 -5.041 1.00 0.00 C ATOM 882 CG HIS A 57 5.014 -11.781 -5.616 1.00 0.00 C ATOM 883 ND1 HIS A 57 3.806 -11.123 -5.718 1.00 0.00 N ATOM 884 CD2 HIS A 57 4.808 -13.022 -6.119 1.00 0.00 C ATOM 885 CE1 HIS A 57 2.910 -11.931 -6.258 1.00 0.00 C ATOM 886 NE2 HIS A 57 3.493 -13.088 -6.511 1.00 0.00 N ATOM 0 H HIS A 57 8.422 -11.650 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 57 7.287 -12.002 -6.711 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.449 -11.594 -4.069 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.044 -10.088 -4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.541 -13.812 -6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.877 -11.686 -6.458 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.040 -13.900 -6.930 1.00 0.00 H new ATOM 895 N LEU A 58 8.253 -9.010 -5.695 1.00 0.00 N ATOM 896 CA LEU A 58 8.637 -7.689 -6.161 1.00 0.00 C ATOM 897 C LEU A 58 9.908 -7.804 -6.986 1.00 0.00 C ATOM 898 O LEU A 58 10.147 -7.021 -7.904 1.00 0.00 O ATOM 899 CB LEU A 58 8.850 -6.737 -4.979 1.00 0.00 C ATOM 900 CG LEU A 58 8.127 -5.394 -5.095 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.621 -5.600 -5.122 1.00 0.00 C ATOM 902 CD2 LEU A 58 8.524 -4.476 -3.948 1.00 0.00 C ATOM 0 H LEU A 58 8.346 -9.150 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 58 7.838 -7.280 -6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.519 -7.234 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.918 -6.550 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 58 8.423 -4.921 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.123 -4.634 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.354 -6.220 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.305 -6.094 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.001 -3.525 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.256 -4.942 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.600 -4.303 -3.976 1.00 0.00 H new ATOM 914 N VAL A 59 10.710 -8.811 -6.655 1.00 0.00 N ATOM 915 CA VAL A 59 11.949 -9.067 -7.364 1.00 0.00 C ATOM 916 C VAL A 59 11.648 -9.584 -8.770 1.00 0.00 C ATOM 917 O VAL A 59 12.353 -9.268 -9.728 1.00 0.00 O ATOM 918 CB VAL A 59 12.823 -10.084 -6.584 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.185 -11.292 -7.435 1.00 0.00 C ATOM 920 CG2 VAL A 59 14.073 -9.407 -6.045 1.00 0.00 C ATOM 0 H VAL A 59 10.518 -9.464 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 59 12.506 -8.134 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 59 12.233 -10.449 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.797 -11.979 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.274 -11.799 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.743 -10.965 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.675 -10.135 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.654 -9.003 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 59 13.787 -8.597 -5.374 1.00 0.00 H new ATOM 930 N GLN A 60 10.592 -10.384 -8.874 1.00 0.00 N ATOM 931 CA GLN A 60 10.177 -10.959 -10.148 1.00 0.00 C ATOM 932 C GLN A 60 9.552 -9.914 -11.056 1.00 0.00 C ATOM 933 O GLN A 60 9.635 -10.015 -12.280 1.00 0.00 O ATOM 934 CB GLN A 60 9.176 -12.090 -9.915 1.00 0.00 C ATOM 935 CG GLN A 60 9.826 -13.407 -9.535 1.00 0.00 C ATOM 936 CD GLN A 60 10.699 -13.969 -10.639 1.00 0.00 C ATOM 937 OE1 GLN A 60 11.858 -14.313 -10.415 1.00 0.00 O ATOM 938 NE2 GLN A 60 10.143 -14.067 -11.840 1.00 0.00 N ATOM 0 H GLN A 60 10.004 -10.650 -8.084 1.00 0.00 H new ATOM 0 HA GLN A 60 11.069 -11.350 -10.637 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.484 -11.795 -9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.585 -12.234 -10.820 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.429 -13.264 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.051 -14.132 -9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.178 -13.769 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.681 -14.440 -12.622 1.00 0.00 H new ATOM 947 N ASN A 61 8.903 -8.922 -10.460 1.00 0.00 N ATOM 948 CA ASN A 61 8.244 -7.888 -11.240 1.00 0.00 C ATOM 949 C ASN A 61 9.170 -6.701 -11.477 1.00 0.00 C ATOM 950 O ASN A 61 9.481 -6.373 -12.622 1.00 0.00 O ATOM 951 CB ASN A 61 6.953 -7.433 -10.551 1.00 0.00 C ATOM 952 CG ASN A 61 6.275 -8.527 -9.729 1.00 0.00 C ATOM 953 OD1 ASN A 61 5.513 -8.229 -8.808 1.00 0.00 O ATOM 954 ND2 ASN A 61 6.540 -9.801 -10.043 1.00 0.00 N ATOM 0 H ASN A 61 8.820 -8.813 -9.449 1.00 0.00 H new ATOM 0 HA ASN A 61 7.989 -8.313 -12.210 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.178 -6.589 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.255 -7.075 -11.308 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.106 -10.557 -9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.176 -10.015 -10.811 1.00 0.00 H new ATOM 961 N VAL A 62 9.604 -6.056 -10.394 1.00 0.00 N ATOM 962 CA VAL A 62 10.495 -4.900 -10.489 1.00 0.00 C ATOM 963 C VAL A 62 10.055 -3.963 -11.609 1.00 0.00 C ATOM 964 O VAL A 62 10.867 -3.503 -12.413 1.00 0.00 O ATOM 965 CB VAL A 62 11.957 -5.328 -10.727 1.00 0.00 C ATOM 966 CG1 VAL A 62 12.483 -6.119 -9.538 1.00 0.00 C ATOM 967 CG2 VAL A 62 12.078 -6.139 -12.008 1.00 0.00 C ATOM 0 H VAL A 62 9.353 -6.315 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 62 10.437 -4.375 -9.536 1.00 0.00 H new ATOM 0 HB VAL A 62 12.564 -4.429 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.516 -6.412 -9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.437 -5.501 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.873 -7.011 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.118 -6.431 -12.157 1.00 0.00 H new ATOM 0 HG22 VAL A 62 11.458 -7.032 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.746 -5.536 -12.853 1.00 0.00 H new ATOM 977 N LYS A 63 8.753 -3.702 -11.659 1.00 0.00 N ATOM 978 CA LYS A 63 8.174 -2.838 -12.686 1.00 0.00 C ATOM 979 C LYS A 63 8.531 -1.360 -12.485 1.00 0.00 C ATOM 980 O LYS A 63 8.077 -0.512 -13.250 1.00 0.00 O ATOM 981 CB LYS A 63 6.655 -3.008 -12.715 1.00 0.00 C ATOM 982 CG LYS A 63 6.183 -4.062 -13.704 1.00 0.00 C ATOM 983 CD LYS A 63 6.656 -3.752 -15.116 1.00 0.00 C ATOM 984 CE LYS A 63 5.919 -4.591 -16.148 1.00 0.00 C ATOM 985 NZ LYS A 63 6.757 -5.713 -16.653 1.00 0.00 N ATOM 0 H LYS A 63 8.074 -4.078 -10.997 1.00 0.00 H new ATOM 0 HA LYS A 63 8.601 -3.144 -13.641 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.308 -3.276 -11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.195 -2.053 -12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.556 -5.040 -13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.094 -4.117 -13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.502 -2.694 -15.328 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.727 -3.939 -15.191 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.006 -4.990 -15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.619 -3.958 -16.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.218 -6.260 -17.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.616 -5.332 -17.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.023 -6.332 -15.861 1.00 0.00 H new ATOM 999 N ASP A 64 9.347 -1.066 -11.467 1.00 0.00 N ATOM 1000 CA ASP A 64 9.786 0.305 -11.159 1.00 0.00 C ATOM 1001 C ASP A 64 8.622 1.296 -11.060 1.00 0.00 C ATOM 1002 O ASP A 64 8.364 1.835 -9.986 1.00 0.00 O ATOM 1003 CB ASP A 64 10.821 0.806 -12.180 1.00 0.00 C ATOM 1004 CG ASP A 64 10.512 0.399 -13.608 1.00 0.00 C ATOM 1005 OD1 ASP A 64 10.858 -0.737 -13.989 1.00 0.00 O ATOM 1006 OD2 ASP A 64 9.925 1.220 -14.345 1.00 0.00 O ATOM 0 H ASP A 64 9.723 -1.770 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 64 10.254 0.255 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.876 1.893 -12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.804 0.422 -11.906 1.00 0.00 H new ATOM 1011 N LYS A 65 7.943 1.546 -12.180 1.00 0.00 N ATOM 1012 CA LYS A 65 6.816 2.488 -12.229 1.00 0.00 C ATOM 1013 C LYS A 65 5.783 2.203 -11.153 1.00 0.00 C ATOM 1014 O LYS A 65 4.668 1.767 -11.445 1.00 0.00 O ATOM 1015 CB LYS A 65 6.135 2.408 -13.584 1.00 0.00 C ATOM 1016 CG LYS A 65 6.513 3.529 -14.527 1.00 0.00 C ATOM 1017 CD LYS A 65 7.711 3.161 -15.387 1.00 0.00 C ATOM 1018 CE LYS A 65 7.683 3.891 -16.720 1.00 0.00 C ATOM 1019 NZ LYS A 65 7.575 5.366 -16.541 1.00 0.00 N ATOM 0 H LYS A 65 8.154 1.106 -13.076 1.00 0.00 H new ATOM 0 HA LYS A 65 7.225 3.484 -12.059 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.385 1.455 -14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.055 2.418 -13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.664 3.767 -15.168 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.740 4.427 -13.952 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.631 3.406 -14.856 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.720 2.085 -15.560 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.588 3.658 -17.281 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.840 3.534 -17.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.762 5.840 -17.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.617 5.607 -16.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.270 5.682 -15.835 1.00 0.00 H new ATOM 1033 N ASP A 66 6.144 2.453 -9.917 1.00 0.00 N ATOM 1034 CA ASP A 66 5.216 2.222 -8.824 1.00 0.00 C ATOM 1035 C ASP A 66 5.515 3.037 -7.571 1.00 0.00 C ATOM 1036 O ASP A 66 6.523 2.826 -6.902 1.00 0.00 O ATOM 1037 CB ASP A 66 5.200 0.735 -8.469 1.00 0.00 C ATOM 1038 CG ASP A 66 3.812 0.239 -8.116 1.00 0.00 C ATOM 1039 OD1 ASP A 66 3.292 0.636 -7.052 1.00 0.00 O ATOM 1040 OD2 ASP A 66 3.244 -0.548 -8.903 1.00 0.00 O ATOM 0 H ASP A 66 7.058 2.811 -9.640 1.00 0.00 H new ATOM 0 HA ASP A 66 4.240 2.552 -9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.585 0.159 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.871 0.558 -7.628 1.00 0.00 H new ATOM 1045 N THR A 67 4.558 3.873 -7.195 1.00 0.00 N ATOM 1046 CA THR A 67 4.632 4.623 -5.952 1.00 0.00 C ATOM 1047 C THR A 67 3.857 3.762 -4.976 1.00 0.00 C ATOM 1048 O THR A 67 2.752 3.327 -5.302 1.00 0.00 O ATOM 1049 CB THR A 67 3.956 5.991 -6.082 1.00 0.00 C ATOM 1050 OG1 THR A 67 2.555 5.853 -6.229 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.471 6.803 -7.250 1.00 0.00 C ATOM 0 H THR A 67 3.714 4.049 -7.740 1.00 0.00 H new ATOM 0 HA THR A 67 5.661 4.819 -5.649 1.00 0.00 H new ATOM 0 HB THR A 67 4.198 6.520 -5.160 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.324 5.858 -7.181 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.951 7.760 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.541 6.975 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.293 6.259 -8.178 1.00 0.00 H new ATOM 1059 N LEU A 68 4.411 3.454 -3.822 1.00 0.00 N ATOM 1060 CA LEU A 68 3.698 2.578 -2.911 1.00 0.00 C ATOM 1061 C LEU A 68 3.440 3.218 -1.566 1.00 0.00 C ATOM 1062 O LEU A 68 4.344 3.738 -0.918 1.00 0.00 O ATOM 1063 CB LEU A 68 4.460 1.251 -2.757 1.00 0.00 C ATOM 1064 CG LEU A 68 5.066 0.966 -1.376 1.00 0.00 C ATOM 1065 CD1 LEU A 68 5.410 -0.510 -1.241 1.00 0.00 C ATOM 1066 CD2 LEU A 68 6.298 1.824 -1.145 1.00 0.00 C ATOM 0 H LEU A 68 5.321 3.783 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 68 2.718 2.381 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.780 0.436 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.264 1.232 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 68 4.326 1.219 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.839 -0.695 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.506 -1.107 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.132 -0.787 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.713 1.607 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.043 1.604 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.023 2.877 -1.199 1.00 0.00 H new ATOM 1078 N VAL A 69 2.193 3.128 -1.140 1.00 0.00 N ATOM 1079 CA VAL A 69 1.783 3.643 0.146 1.00 0.00 C ATOM 1080 C VAL A 69 1.287 2.474 0.969 1.00 0.00 C ATOM 1081 O VAL A 69 0.396 1.750 0.536 1.00 0.00 O ATOM 1082 CB VAL A 69 0.670 4.710 0.028 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.003 5.915 0.890 1.00 0.00 C ATOM 1084 CG2 VAL A 69 0.461 5.132 -1.422 1.00 0.00 C ATOM 0 H VAL A 69 1.441 2.696 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 69 2.635 4.133 0.617 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.261 4.269 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.211 6.658 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.090 5.605 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.948 6.348 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.328 5.883 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.387 5.551 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.174 4.264 -2.016 1.00 0.00 H new ATOM 1094 N PHE A 70 1.872 2.248 2.131 1.00 0.00 N ATOM 1095 CA PHE A 70 1.452 1.112 2.933 1.00 0.00 C ATOM 1096 C PHE A 70 0.554 1.547 4.070 1.00 0.00 C ATOM 1097 O PHE A 70 0.662 2.671 4.557 1.00 0.00 O ATOM 1098 CB PHE A 70 2.677 0.386 3.498 1.00 0.00 C ATOM 1099 CG PHE A 70 3.667 1.306 4.155 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.654 1.931 3.408 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.611 1.548 5.517 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.563 2.782 4.008 1.00 0.00 C ATOM 1103 CE2 PHE A 70 4.518 2.396 6.124 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.495 3.015 5.369 1.00 0.00 C ATOM 0 H PHE A 70 2.618 2.817 2.532 1.00 0.00 H new ATOM 0 HA PHE A 70 0.890 0.436 2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.347 -0.358 4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.174 -0.154 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.713 1.751 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.849 1.068 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.325 3.264 3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.463 2.574 7.188 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.204 3.679 5.841 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.308 0.622 4.497 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.244 0.854 5.613 1.00 0.00 C ATOM 1116 C HIS A 71 -2.601 0.200 5.364 1.00 0.00 C ATOM 1117 O HIS A 71 -2.871 -0.891 5.865 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.456 2.351 5.900 1.00 0.00 C ATOM 1119 CG HIS A 71 -0.584 2.875 7.001 1.00 0.00 C ATOM 1120 ND1 HIS A 71 0.763 2.593 7.094 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -0.873 3.665 8.064 1.00 0.00 C ATOM 1122 CE1 HIS A 71 1.262 3.184 8.166 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.291 3.839 8.770 1.00 0.00 N ATOM 0 H HIS A 71 -0.382 -0.308 4.084 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.778 0.394 6.484 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.261 2.919 4.990 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.500 2.519 6.163 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.292 2.018 6.438 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.839 4.080 8.310 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.291 3.138 8.492 1.00 0.00 H new ATOM 1132 N SER A 72 -3.467 0.885 4.617 1.00 0.00 N ATOM 1133 CA SER A 72 -4.807 0.370 4.348 1.00 0.00 C ATOM 1134 C SER A 72 -5.577 0.251 5.658 1.00 0.00 C ATOM 1135 O SER A 72 -5.492 -0.766 6.347 1.00 0.00 O ATOM 1136 CB SER A 72 -4.741 -0.994 3.659 1.00 0.00 C ATOM 1137 OG SER A 72 -5.946 -1.272 2.968 1.00 0.00 O ATOM 0 H SER A 72 -3.266 1.790 4.191 1.00 0.00 H new ATOM 0 HA SER A 72 -5.319 1.064 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.904 -1.013 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.555 -1.771 4.400 1.00 0.00 H new ATOM 0 HG SER A 72 -5.742 -1.732 2.127 1.00 0.00 H new ATOM 1143 N ALA A 73 -6.304 1.306 6.011 1.00 0.00 N ATOM 1144 CA ALA A 73 -7.062 1.331 7.258 1.00 0.00 C ATOM 1145 C ALA A 73 -6.114 1.466 8.447 1.00 0.00 C ATOM 1146 O ALA A 73 -6.457 1.115 9.575 1.00 0.00 O ATOM 1147 CB ALA A 73 -7.916 0.077 7.396 1.00 0.00 C ATOM 0 H ALA A 73 -6.385 2.155 5.452 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.728 2.194 7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.472 0.117 8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.614 0.019 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.273 -0.803 7.393 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.908 1.964 8.171 1.00 0.00 N ATOM 1154 CA LEU A 74 -3.879 2.138 9.188 1.00 0.00 C ATOM 1155 C LEU A 74 -3.330 0.785 9.617 1.00 0.00 C ATOM 1156 O LEU A 74 -2.631 0.679 10.625 1.00 0.00 O ATOM 1157 CB LEU A 74 -4.434 2.898 10.400 1.00 0.00 C ATOM 1158 CG LEU A 74 -3.843 4.292 10.616 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -4.611 5.036 11.699 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -2.369 4.196 10.978 1.00 0.00 C ATOM 0 H LEU A 74 -4.621 2.257 7.237 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.068 2.727 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.514 2.991 10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.257 2.302 11.295 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.933 4.851 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.176 6.026 11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.655 5.137 11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.553 4.479 12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.965 5.197 11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.257 3.618 11.895 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.827 3.704 10.170 1.00 0.00 H new ATOM 1172 N SER A 75 -3.665 -0.255 8.843 1.00 0.00 N ATOM 1173 CA SER A 75 -3.229 -1.615 9.136 1.00 0.00 C ATOM 1174 C SER A 75 -3.340 -1.910 10.629 1.00 0.00 C ATOM 1175 O SER A 75 -2.626 -2.754 11.163 1.00 0.00 O ATOM 1176 CB SER A 75 -1.793 -1.829 8.655 1.00 0.00 C ATOM 1177 OG SER A 75 -1.761 -2.617 7.478 1.00 0.00 O ATOM 0 H SER A 75 -4.241 -0.173 8.005 1.00 0.00 H new ATOM 0 HA SER A 75 -3.882 -2.306 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.323 -0.864 8.463 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.213 -2.316 9.438 1.00 0.00 H new ATOM 0 HG SER A 75 -1.957 -2.053 6.701 1.00 0.00 H new ATOM 1183 N GLN A 76 -4.239 -1.197 11.302 1.00 0.00 N ATOM 1184 CA GLN A 76 -4.434 -1.378 12.736 1.00 0.00 C ATOM 1185 C GLN A 76 -3.099 -1.296 13.478 1.00 0.00 C ATOM 1186 O GLN A 76 -2.808 -2.122 14.343 1.00 0.00 O ATOM 1187 CB GLN A 76 -5.109 -2.722 13.015 1.00 0.00 C ATOM 1188 CG GLN A 76 -6.550 -2.788 12.536 1.00 0.00 C ATOM 1189 CD GLN A 76 -7.396 -1.646 13.065 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -7.939 -1.718 14.167 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -7.512 -0.582 12.279 1.00 0.00 N ATOM 0 H GLN A 76 -4.842 -0.491 10.879 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.080 -0.577 13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.537 -3.514 12.531 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.081 -2.918 14.087 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.567 -2.773 11.446 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.989 -3.735 12.849 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.045 -0.564 11.373 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.068 0.218 12.582 1.00 0.00 H new ATOM 1200 N VAL A 77 -2.297 -0.289 13.126 1.00 0.00 N ATOM 1201 CA VAL A 77 -0.984 -0.067 13.742 1.00 0.00 C ATOM 1202 C VAL A 77 0.120 -0.871 13.051 1.00 0.00 C ATOM 1203 O VAL A 77 1.305 -0.623 13.275 1.00 0.00 O ATOM 1204 CB VAL A 77 -0.980 -0.400 15.249 1.00 0.00 C ATOM 1205 CG1 VAL A 77 0.278 0.140 15.910 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -2.227 0.155 15.925 1.00 0.00 C ATOM 0 H VAL A 77 -2.537 0.395 12.408 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.780 0.996 13.617 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.987 -1.484 15.362 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.264 -0.104 16.972 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.155 -0.311 15.446 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.318 1.222 15.787 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.205 -0.090 16.987 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.255 1.238 15.803 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.114 -0.285 15.469 1.00 0.00 H new ATOM 1216 N ARG A 78 -0.265 -1.828 12.211 1.00 0.00 N ATOM 1217 CA ARG A 78 0.706 -2.653 11.495 1.00 0.00 C ATOM 1218 C ARG A 78 1.316 -1.901 10.321 1.00 0.00 C ATOM 1219 O ARG A 78 2.417 -2.225 9.890 1.00 0.00 O ATOM 1220 CB ARG A 78 0.072 -3.961 11.011 1.00 0.00 C ATOM 1221 CG ARG A 78 0.030 -5.049 12.072 1.00 0.00 C ATOM 1222 CD ARG A 78 -0.622 -4.557 13.355 1.00 0.00 C ATOM 1223 NE ARG A 78 -0.503 -5.529 14.437 1.00 0.00 N ATOM 1224 CZ ARG A 78 0.642 -5.825 15.045 1.00 0.00 C ATOM 1225 NH1 ARG A 78 1.769 -5.223 14.683 1.00 0.00 N ATOM 1226 NH2 ARG A 78 0.663 -6.726 16.018 1.00 0.00 N ATOM 0 H ARG A 78 -1.239 -2.052 12.009 1.00 0.00 H new ATOM 0 HA ARG A 78 1.503 -2.894 12.198 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.944 -3.758 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.630 -4.328 10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.521 -5.909 11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.043 -5.389 12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.160 -3.618 13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.676 -4.349 13.169 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.348 -6.010 14.745 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.759 -4.530 13.935 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.644 -5.454 15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.199 -7.192 16.300 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.541 -6.953 16.484 1.00 0.00 H new ATOM 1240 N GLY A 79 0.597 -0.902 9.803 1.00 0.00 N ATOM 1241 CA GLY A 79 1.099 -0.119 8.677 1.00 0.00 C ATOM 1242 C GLY A 79 2.620 -0.007 8.678 1.00 0.00 C ATOM 1243 O GLY A 79 3.278 -0.424 7.724 1.00 0.00 O ATOM 0 H GLY A 79 -0.323 -0.620 10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.772 -0.578 7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.664 0.880 8.710 1.00 0.00 H new ATOM 1247 N PRO A 80 3.205 0.539 9.764 1.00 0.00 N ATOM 1248 CA PRO A 80 4.655 0.673 9.891 1.00 0.00 C ATOM 1249 C PRO A 80 5.340 -0.677 9.756 1.00 0.00 C ATOM 1250 O PRO A 80 6.390 -0.790 9.125 1.00 0.00 O ATOM 1251 CB PRO A 80 4.860 1.251 11.297 1.00 0.00 C ATOM 1252 CG PRO A 80 3.571 1.017 12.011 1.00 0.00 C ATOM 1253 CD PRO A 80 2.504 1.041 10.956 1.00 0.00 C ATOM 0 HA PRO A 80 5.083 1.306 9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.688 0.759 11.808 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.099 2.314 11.254 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.582 0.060 12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.395 1.788 12.762 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.658 0.408 11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.113 2.046 10.801 1.00 0.00 H new ATOM 1261 N THR A 81 4.722 -1.713 10.326 1.00 0.00 N ATOM 1262 CA THR A 81 5.263 -3.061 10.234 1.00 0.00 C ATOM 1263 C THR A 81 5.314 -3.487 8.774 1.00 0.00 C ATOM 1264 O THR A 81 6.217 -4.210 8.354 1.00 0.00 O ATOM 1265 CB THR A 81 4.406 -4.040 11.032 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.146 -3.538 12.331 1.00 0.00 O ATOM 1267 CG2 THR A 81 5.044 -5.404 11.186 1.00 0.00 C ATOM 0 H THR A 81 3.851 -1.641 10.853 1.00 0.00 H new ATOM 0 HA THR A 81 6.270 -3.066 10.652 1.00 0.00 H new ATOM 0 HB THR A 81 3.484 -4.149 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.594 -4.180 12.825 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.384 -6.052 11.763 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.211 -5.841 10.201 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.997 -5.303 11.705 1.00 0.00 H new ATOM 1275 N CYS A 82 4.345 -3.009 7.994 1.00 0.00 N ATOM 1276 CA CYS A 82 4.296 -3.315 6.573 1.00 0.00 C ATOM 1277 C CYS A 82 5.551 -2.774 5.917 1.00 0.00 C ATOM 1278 O CYS A 82 6.207 -3.457 5.130 1.00 0.00 O ATOM 1279 CB CYS A 82 3.057 -2.693 5.923 1.00 0.00 C ATOM 1280 SG CYS A 82 1.538 -2.888 6.883 1.00 0.00 S ATOM 0 H CYS A 82 3.588 -2.411 8.325 1.00 0.00 H new ATOM 0 HA CYS A 82 4.238 -4.395 6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.239 -1.630 5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.912 -3.142 4.940 1.00 0.00 H new ATOM 0 HG CYS A 82 0.509 -2.725 6.105 1.00 0.00 H new ATOM 1286 N ALA A 83 5.896 -1.542 6.282 1.00 0.00 N ATOM 1287 CA ALA A 83 7.098 -0.917 5.758 1.00 0.00 C ATOM 1288 C ALA A 83 8.322 -1.634 6.302 1.00 0.00 C ATOM 1289 O ALA A 83 9.350 -1.722 5.632 1.00 0.00 O ATOM 1290 CB ALA A 83 7.136 0.563 6.104 1.00 0.00 C ATOM 0 H ALA A 83 5.363 -0.965 6.933 1.00 0.00 H new ATOM 0 HA ALA A 83 7.094 -0.999 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.046 1.008 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.267 1.060 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.123 0.684 7.187 1.00 0.00 H new ATOM 1296 N ARG A 84 8.192 -2.181 7.511 1.00 0.00 N ATOM 1297 CA ARG A 84 9.280 -2.928 8.117 1.00 0.00 C ATOM 1298 C ARG A 84 9.568 -4.149 7.259 1.00 0.00 C ATOM 1299 O ARG A 84 10.715 -4.570 7.110 1.00 0.00 O ATOM 1300 CB ARG A 84 8.929 -3.344 9.546 1.00 0.00 C ATOM 1301 CG ARG A 84 8.924 -2.186 10.531 1.00 0.00 C ATOM 1302 CD ARG A 84 10.317 -1.603 10.711 1.00 0.00 C ATOM 1303 NE ARG A 84 10.633 -0.616 9.682 1.00 0.00 N ATOM 1304 CZ ARG A 84 10.060 0.582 9.604 1.00 0.00 C ATOM 1305 NH1 ARG A 84 9.138 0.945 10.487 1.00 0.00 N ATOM 1306 NH2 ARG A 84 10.407 1.421 8.637 1.00 0.00 N ATOM 0 H ARG A 84 7.349 -2.119 8.081 1.00 0.00 H new ATOM 0 HA ARG A 84 10.167 -2.297 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.947 -3.816 9.548 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.644 -4.095 9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.246 -1.409 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.544 -2.527 11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.392 -1.139 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.053 -2.406 10.681 1.00 0.00 H new ATOM 0 HE ARG A 84 11.334 -0.859 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.865 0.304 11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.703 1.865 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.113 1.148 7.953 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.968 2.340 8.577 1.00 0.00 H new ATOM 1320 N ARG A 85 8.505 -4.699 6.674 1.00 0.00 N ATOM 1321 CA ARG A 85 8.624 -5.854 5.801 1.00 0.00 C ATOM 1322 C ARG A 85 9.339 -5.459 4.522 1.00 0.00 C ATOM 1323 O ARG A 85 10.260 -6.148 4.082 1.00 0.00 O ATOM 1324 CB ARG A 85 7.243 -6.434 5.483 1.00 0.00 C ATOM 1325 CG ARG A 85 6.883 -7.653 6.318 1.00 0.00 C ATOM 1326 CD ARG A 85 7.095 -7.396 7.803 1.00 0.00 C ATOM 1327 NE ARG A 85 6.405 -8.380 8.633 1.00 0.00 N ATOM 1328 CZ ARG A 85 6.719 -8.629 9.903 1.00 0.00 C ATOM 1329 NH1 ARG A 85 7.708 -7.968 10.492 1.00 0.00 N ATOM 1330 NH2 ARG A 85 6.041 -9.540 10.587 1.00 0.00 N ATOM 0 H ARG A 85 7.551 -4.358 6.793 1.00 0.00 H new ATOM 0 HA ARG A 85 9.206 -6.622 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.490 -5.662 5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.207 -6.704 4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.842 -7.923 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.490 -8.502 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.162 -7.418 8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.738 -6.397 8.053 1.00 0.00 H new ATOM 0 HE ARG A 85 5.638 -8.907 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.232 -7.265 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.944 -8.163 11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.279 -10.050 10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.281 -9.731 11.560 1.00 0.00 H new ATOM 1344 N LEU A 86 8.944 -4.326 3.937 1.00 0.00 N ATOM 1345 CA LEU A 86 9.605 -3.854 2.727 1.00 0.00 C ATOM 1346 C LEU A 86 11.077 -3.622 3.039 1.00 0.00 C ATOM 1347 O LEU A 86 11.950 -3.840 2.202 1.00 0.00 O ATOM 1348 CB LEU A 86 8.957 -2.565 2.217 1.00 0.00 C ATOM 1349 CG LEU A 86 7.692 -2.765 1.377 1.00 0.00 C ATOM 1350 CD1 LEU A 86 6.564 -1.881 1.887 1.00 0.00 C ATOM 1351 CD2 LEU A 86 7.974 -2.475 -0.091 1.00 0.00 C ATOM 0 H LEU A 86 8.186 -3.732 4.275 1.00 0.00 H new ATOM 0 HA LEU A 86 9.505 -4.604 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.711 -1.936 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.689 -2.020 1.621 1.00 0.00 H new ATOM 0 HG LEU A 86 7.381 -3.806 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.674 -2.038 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.343 -2.135 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.866 -0.835 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.064 -2.622 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.311 -1.444 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.749 -3.151 -0.453 1.00 0.00 H new ATOM 1363 N VAL A 87 11.342 -3.216 4.280 1.00 0.00 N ATOM 1364 CA VAL A 87 12.703 -3.004 4.729 1.00 0.00 C ATOM 1365 C VAL A 87 13.425 -4.340 4.729 1.00 0.00 C ATOM 1366 O VAL A 87 14.598 -4.425 4.369 1.00 0.00 O ATOM 1367 CB VAL A 87 12.758 -2.378 6.137 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.199 -2.121 6.552 1.00 0.00 C ATOM 1369 CG2 VAL A 87 11.944 -1.091 6.181 1.00 0.00 C ATOM 0 H VAL A 87 10.629 -3.030 4.985 1.00 0.00 H new ATOM 0 HA VAL A 87 13.187 -2.304 4.048 1.00 0.00 H new ATOM 0 HB VAL A 87 12.321 -3.082 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.217 -1.679 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.748 -3.063 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.665 -1.437 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.994 -0.663 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.349 -0.380 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.906 -1.309 5.931 1.00 0.00 H new ATOM 1379 N ASN A 88 12.695 -5.396 5.098 1.00 0.00 N ATOM 1380 CA ASN A 88 13.254 -6.738 5.096 1.00 0.00 C ATOM 1381 C ASN A 88 13.599 -7.128 3.661 1.00 0.00 C ATOM 1382 O ASN A 88 14.489 -7.942 3.418 1.00 0.00 O ATOM 1383 CB ASN A 88 12.262 -7.737 5.727 1.00 0.00 C ATOM 1384 CG ASN A 88 11.653 -8.716 4.729 1.00 0.00 C ATOM 1385 OD1 ASN A 88 12.364 -9.479 4.076 1.00 0.00 O ATOM 1386 ND2 ASN A 88 10.326 -8.704 4.615 1.00 0.00 N ATOM 0 H ASN A 88 11.722 -5.342 5.399 1.00 0.00 H new ATOM 0 HA ASN A 88 14.163 -6.761 5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.775 -8.300 6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.460 -7.181 6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.864 -9.343 3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.772 -8.056 5.175 1.00 0.00 H new ATOM 1393 N TYR A 89 12.883 -6.521 2.717 1.00 0.00 N ATOM 1394 CA TYR A 89 13.101 -6.775 1.301 1.00 0.00 C ATOM 1395 C TYR A 89 14.410 -6.160 0.860 1.00 0.00 C ATOM 1396 O TYR A 89 15.346 -6.872 0.502 1.00 0.00 O ATOM 1397 CB TYR A 89 11.929 -6.214 0.480 1.00 0.00 C ATOM 1398 CG TYR A 89 11.967 -6.550 -0.996 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.033 -6.166 -1.800 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.928 -7.259 -1.581 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.058 -6.481 -3.145 1.00 0.00 C ATOM 1402 CE2 TYR A 89 10.945 -7.582 -2.923 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.014 -7.189 -3.701 1.00 0.00 C ATOM 1404 OH TYR A 89 12.042 -7.504 -5.037 1.00 0.00 O ATOM 0 H TYR A 89 12.143 -5.846 2.912 1.00 0.00 H new ATOM 0 HA TYR A 89 13.154 -7.851 1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.997 -6.591 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.913 -5.130 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.854 -5.613 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.089 -7.565 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.892 -6.174 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.128 -8.138 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 89 12.538 -6.814 -5.525 1.00 0.00 H new ATOM 1414 N LEU A 90 14.491 -4.836 0.908 1.00 0.00 N ATOM 1415 CA LEU A 90 15.722 -4.165 0.529 1.00 0.00 C ATOM 1416 C LEU A 90 16.870 -4.739 1.353 1.00 0.00 C ATOM 1417 O LEU A 90 18.021 -4.765 0.917 1.00 0.00 O ATOM 1418 CB LEU A 90 15.608 -2.652 0.749 1.00 0.00 C ATOM 1419 CG LEU A 90 16.848 -1.836 0.368 1.00 0.00 C ATOM 1420 CD1 LEU A 90 17.920 -1.951 1.441 1.00 0.00 C ATOM 1421 CD2 LEU A 90 17.391 -2.282 -0.982 1.00 0.00 C ATOM 0 H LEU A 90 13.734 -4.218 1.200 1.00 0.00 H new ATOM 0 HA LEU A 90 15.912 -4.332 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.760 -2.281 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.384 -2.471 1.800 1.00 0.00 H new ATOM 0 HG LEU A 90 16.555 -0.789 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.791 -1.364 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.530 -1.576 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.209 -2.996 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.271 -1.690 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.664 -3.336 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.627 -2.140 -1.746 1.00 0.00 H new ATOM 1433 N ASP A 91 16.526 -5.216 2.547 1.00 0.00 N ATOM 1434 CA ASP A 91 17.490 -5.817 3.453 1.00 0.00 C ATOM 1435 C ASP A 91 17.981 -7.165 2.929 1.00 0.00 C ATOM 1436 O ASP A 91 19.152 -7.505 3.097 1.00 0.00 O ATOM 1437 CB ASP A 91 16.872 -5.996 4.841 1.00 0.00 C ATOM 1438 CG ASP A 91 17.866 -6.531 5.854 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.808 -5.792 6.207 1.00 0.00 O ATOM 1440 OD2 ASP A 91 17.701 -7.687 6.293 1.00 0.00 O ATOM 0 H ASP A 91 15.573 -5.195 2.909 1.00 0.00 H new ATOM 0 HA ASP A 91 18.345 -5.145 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.483 -5.039 5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.025 -6.678 4.773 1.00 0.00 H new ATOM 1445 N GLU A 92 17.087 -7.947 2.314 1.00 0.00 N ATOM 1446 CA GLU A 92 17.476 -9.260 1.805 1.00 0.00 C ATOM 1447 C GLU A 92 18.211 -9.157 0.473 1.00 0.00 C ATOM 1448 O GLU A 92 19.124 -9.935 0.199 1.00 0.00 O ATOM 1449 CB GLU A 92 16.256 -10.170 1.663 1.00 0.00 C ATOM 1450 CG GLU A 92 15.291 -9.749 0.568 1.00 0.00 C ATOM 1451 CD GLU A 92 14.738 -10.929 -0.207 1.00 0.00 C ATOM 1452 OE1 GLU A 92 13.845 -11.623 0.322 1.00 0.00 O ATOM 1453 OE2 GLU A 92 15.200 -11.160 -1.345 1.00 0.00 O ATOM 0 H GLU A 92 16.110 -7.698 2.160 1.00 0.00 H new ATOM 0 HA GLU A 92 18.161 -9.696 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 92 16.596 -11.186 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.722 -10.195 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.466 -9.191 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.800 -9.074 -0.120 1.00 0.00 H new ATOM 1460 N LYS A 93 17.809 -8.201 -0.355 1.00 0.00 N ATOM 1461 CA LYS A 93 18.437 -8.014 -1.656 1.00 0.00 C ATOM 1462 C LYS A 93 19.635 -7.080 -1.550 1.00 0.00 C ATOM 1463 O LYS A 93 20.573 -7.165 -2.343 1.00 0.00 O ATOM 1464 CB LYS A 93 17.425 -7.455 -2.659 1.00 0.00 C ATOM 1465 CG LYS A 93 16.537 -8.518 -3.284 1.00 0.00 C ATOM 1466 CD LYS A 93 17.336 -9.465 -4.166 1.00 0.00 C ATOM 1467 CE LYS A 93 17.591 -10.793 -3.471 1.00 0.00 C ATOM 1468 NZ LYS A 93 18.776 -11.495 -4.035 1.00 0.00 N ATOM 0 H LYS A 93 17.054 -7.546 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 93 18.786 -8.985 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.798 -6.718 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.961 -6.931 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.038 -9.085 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.757 -8.040 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.797 -9.638 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.287 -9.003 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.743 -10.622 -2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.711 -11.429 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.916 -12.396 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.620 -11.681 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.620 -10.899 -3.919 1.00 0.00 H new ATOM 1482 N LYS A 94 19.596 -6.186 -0.566 1.00 0.00 N ATOM 1483 CA LYS A 94 20.677 -5.227 -0.356 1.00 0.00 C ATOM 1484 C LYS A 94 21.045 -4.519 -1.658 1.00 0.00 C ATOM 1485 O LYS A 94 22.171 -4.052 -1.827 1.00 0.00 O ATOM 1486 CB LYS A 94 21.907 -5.929 0.225 1.00 0.00 C ATOM 1487 CG LYS A 94 21.591 -6.829 1.409 1.00 0.00 C ATOM 1488 CD LYS A 94 22.383 -8.125 1.352 1.00 0.00 C ATOM 1489 CE LYS A 94 23.755 -7.968 1.987 1.00 0.00 C ATOM 1490 NZ LYS A 94 23.738 -8.300 3.439 1.00 0.00 N ATOM 0 H LYS A 94 18.827 -6.105 0.099 1.00 0.00 H new ATOM 0 HA LYS A 94 20.327 -4.477 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 94 22.379 -6.524 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 94 22.632 -5.176 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.817 -6.304 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.524 -7.054 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.831 -8.913 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.495 -8.439 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 94 24.468 -8.615 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 94 24.102 -6.943 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.693 -8.180 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.077 -7.666 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.432 -9.286 3.566 1.00 0.00 H new ATOM 1504 N GLU A 95 20.078 -4.442 -2.568 1.00 0.00 N ATOM 1505 CA GLU A 95 20.272 -3.792 -3.862 1.00 0.00 C ATOM 1506 C GLU A 95 19.064 -4.028 -4.760 1.00 0.00 C ATOM 1507 O GLU A 95 18.823 -5.147 -5.211 1.00 0.00 O ATOM 1508 CB GLU A 95 21.532 -4.308 -4.559 1.00 0.00 C ATOM 1509 CG GLU A 95 21.728 -3.746 -5.960 1.00 0.00 C ATOM 1510 CD GLU A 95 21.810 -4.830 -7.019 1.00 0.00 C ATOM 1511 OE1 GLU A 95 22.366 -5.908 -6.723 1.00 0.00 O ATOM 1512 OE2 GLU A 95 21.317 -4.599 -8.143 1.00 0.00 O ATOM 0 H GLU A 95 19.143 -4.826 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 95 20.388 -2.724 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.402 -4.057 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.486 -5.396 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.903 -3.074 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 95 22.641 -3.150 -5.984 1.00 0.00 H new ATOM 1519 N ASP A 96 18.316 -2.965 -5.013 1.00 0.00 N ATOM 1520 CA ASP A 96 17.127 -3.039 -5.859 1.00 0.00 C ATOM 1521 C ASP A 96 16.317 -1.751 -5.766 1.00 0.00 C ATOM 1522 O ASP A 96 16.720 -0.800 -5.095 1.00 0.00 O ATOM 1523 CB ASP A 96 16.248 -4.228 -5.458 1.00 0.00 C ATOM 1524 CG ASP A 96 16.017 -4.297 -3.961 1.00 0.00 C ATOM 1525 OD1 ASP A 96 16.913 -4.788 -3.244 1.00 0.00 O ATOM 1526 OD2 ASP A 96 14.940 -3.860 -3.507 1.00 0.00 O ATOM 0 H ASP A 96 18.510 -2.034 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 96 17.459 -3.175 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.288 -4.155 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.717 -5.153 -5.794 1.00 0.00 H new ATOM 1531 N THR A 97 15.173 -1.729 -6.437 1.00 0.00 N ATOM 1532 CA THR A 97 14.304 -0.561 -6.426 1.00 0.00 C ATOM 1533 C THR A 97 12.843 -0.975 -6.278 1.00 0.00 C ATOM 1534 O THR A 97 12.237 -0.780 -5.225 1.00 0.00 O ATOM 1535 CB THR A 97 14.491 0.257 -7.706 1.00 0.00 C ATOM 1536 OG1 THR A 97 15.632 -0.181 -8.422 1.00 0.00 O ATOM 1537 CG2 THR A 97 14.653 1.740 -7.447 1.00 0.00 C ATOM 0 H THR A 97 14.825 -2.508 -6.996 1.00 0.00 H new ATOM 0 HA THR A 97 14.577 0.057 -5.570 1.00 0.00 H new ATOM 0 HB THR A 97 13.580 0.101 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.732 0.354 -9.237 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.781 2.263 -8.395 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.766 2.120 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.528 1.906 -6.819 1.00 0.00 H new ATOM 1545 N GLY A 98 12.284 -1.543 -7.343 1.00 0.00 N ATOM 1546 CA GLY A 98 10.897 -1.971 -7.312 1.00 0.00 C ATOM 1547 C GLY A 98 9.941 -0.799 -7.244 1.00 0.00 C ATOM 1548 O GLY A 98 9.228 -0.513 -8.207 1.00 0.00 O ATOM 0 H GLY A 98 12.766 -1.714 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.681 -2.563 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.737 -2.619 -6.450 1.00 0.00 H new ATOM 1552 N ILE A 99 9.930 -0.117 -6.105 1.00 0.00 N ATOM 1553 CA ILE A 99 9.061 1.038 -5.916 1.00 0.00 C ATOM 1554 C ILE A 99 9.730 2.320 -6.361 1.00 0.00 C ATOM 1555 O ILE A 99 10.913 2.545 -6.105 1.00 0.00 O ATOM 1556 CB ILE A 99 8.634 1.243 -4.450 1.00 0.00 C ATOM 1557 CG1 ILE A 99 9.827 1.044 -3.500 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.470 0.335 -4.097 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.574 0.050 -2.390 1.00 0.00 C ATOM 0 H ILE A 99 10.513 -0.344 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 99 8.183 0.821 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 99 8.292 2.271 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.688 0.713 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.091 2.005 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.185 0.496 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.623 0.561 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.765 -0.705 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.464 -0.032 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.734 0.388 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.341 -0.924 -2.820 1.00 0.00 H new ATOM 1571 N LYS A 100 8.949 3.177 -6.988 1.00 0.00 N ATOM 1572 CA LYS A 100 9.440 4.464 -7.426 1.00 0.00 C ATOM 1573 C LYS A 100 9.569 5.376 -6.215 1.00 0.00 C ATOM 1574 O LYS A 100 10.521 6.147 -6.103 1.00 0.00 O ATOM 1575 CB LYS A 100 8.494 5.083 -8.457 1.00 0.00 C ATOM 1576 CG LYS A 100 9.130 6.190 -9.280 1.00 0.00 C ATOM 1577 CD LYS A 100 8.461 6.330 -10.637 1.00 0.00 C ATOM 1578 CE LYS A 100 9.439 6.821 -11.694 1.00 0.00 C ATOM 1579 NZ LYS A 100 9.542 8.306 -11.708 1.00 0.00 N ATOM 0 H LYS A 100 7.968 3.002 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 100 10.413 4.337 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.140 4.301 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.620 5.481 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.059 7.134 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.191 5.980 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.048 5.368 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.626 7.026 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.423 6.391 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.119 6.470 -12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.218 8.600 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.609 8.717 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.871 8.640 -10.780 1.00 0.00 H new ATOM 1593 N ASN A 101 8.602 5.271 -5.298 1.00 0.00 N ATOM 1594 CA ASN A 101 8.623 6.081 -4.087 1.00 0.00 C ATOM 1595 C ASN A 101 7.867 5.436 -2.924 1.00 0.00 C ATOM 1596 O ASN A 101 6.685 5.111 -3.038 1.00 0.00 O ATOM 1597 CB ASN A 101 8.071 7.476 -4.361 1.00 0.00 C ATOM 1598 CG ASN A 101 6.979 7.509 -5.399 1.00 0.00 C ATOM 1599 OD1 ASN A 101 5.805 7.614 -5.065 1.00 0.00 O ATOM 1600 ND2 ASN A 101 7.376 7.453 -6.667 1.00 0.00 N ATOM 0 H ASN A 101 7.805 4.639 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 101 9.668 6.156 -3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.686 7.893 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.887 8.121 -4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 101 6.688 7.498 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.368 7.365 -6.887 1.00 0.00 H new ATOM 1607 N ILE A 102 8.561 5.278 -1.796 1.00 0.00 N ATOM 1608 CA ILE A 102 7.968 4.700 -0.591 1.00 0.00 C ATOM 1609 C ILE A 102 7.224 5.762 0.219 1.00 0.00 C ATOM 1610 O ILE A 102 7.773 6.819 0.534 1.00 0.00 O ATOM 1611 CB ILE A 102 9.025 4.030 0.311 1.00 0.00 C ATOM 1612 CG1 ILE A 102 10.235 4.957 0.505 1.00 0.00 C ATOM 1613 CG2 ILE A 102 9.442 2.684 -0.269 1.00 0.00 C ATOM 1614 CD1 ILE A 102 11.368 4.722 -0.475 1.00 0.00 C ATOM 0 H ILE A 102 9.540 5.544 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 102 7.266 3.938 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 102 8.585 3.850 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.903 5.991 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.615 4.830 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.188 2.224 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.571 2.032 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.866 2.831 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 102 12.180 5.419 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.732 3.700 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.008 4.879 -1.492 1.00 0.00 H new ATOM 1626 N MET A 103 5.963 5.473 0.535 1.00 0.00 N ATOM 1627 CA MET A 103 5.128 6.400 1.290 1.00 0.00 C ATOM 1628 C MET A 103 4.218 5.675 2.283 1.00 0.00 C ATOM 1629 O MET A 103 4.064 4.456 2.220 1.00 0.00 O ATOM 1630 CB MET A 103 4.273 7.217 0.318 1.00 0.00 C ATOM 1631 CG MET A 103 5.086 8.023 -0.683 1.00 0.00 C ATOM 1632 SD MET A 103 4.400 9.666 -0.974 1.00 0.00 S ATOM 1633 CE MET A 103 4.912 9.955 -2.666 1.00 0.00 C ATOM 0 H MET A 103 5.498 4.602 0.278 1.00 0.00 H new ATOM 0 HA MET A 103 5.787 7.054 1.861 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.611 6.542 -0.225 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.639 7.896 0.888 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.109 8.120 -0.320 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.133 7.481 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.151 10.540 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.855 10.501 -2.672 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.042 9.000 -3.175 1.00 0.00 H new ATOM 1643 N ILE A 104 3.589 6.441 3.181 1.00 0.00 N ATOM 1644 CA ILE A 104 2.665 5.864 4.156 1.00 0.00 C ATOM 1645 C ILE A 104 1.311 6.579 4.088 1.00 0.00 C ATOM 1646 O ILE A 104 1.227 7.742 3.694 1.00 0.00 O ATOM 1647 CB ILE A 104 3.228 5.855 5.615 1.00 0.00 C ATOM 1648 CG1 ILE A 104 2.406 6.740 6.564 1.00 0.00 C ATOM 1649 CG2 ILE A 104 4.697 6.263 5.648 1.00 0.00 C ATOM 1650 CD1 ILE A 104 1.229 6.024 7.189 1.00 0.00 C ATOM 0 H ILE A 104 3.703 7.452 3.251 1.00 0.00 H new ATOM 0 HA ILE A 104 2.532 4.817 3.885 1.00 0.00 H new ATOM 0 HB ILE A 104 3.146 4.828 5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.056 7.112 7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.043 7.609 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.056 6.246 6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.282 5.566 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.804 7.269 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.694 6.709 7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.557 5.675 6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.587 5.171 7.766 1.00 0.00 H new ATOM 1662 N LEU A 105 0.256 5.854 4.443 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.104 6.386 4.397 1.00 0.00 C ATOM 1664 C LEU A 105 -1.646 6.691 5.791 1.00 0.00 C ATOM 1665 O LEU A 105 -1.673 5.822 6.660 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.018 5.372 3.698 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.749 5.871 2.448 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -1.812 6.643 1.530 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.365 4.699 1.701 1.00 0.00 C ATOM 0 H LEU A 105 0.316 4.889 4.768 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.081 7.324 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.419 4.504 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.763 5.029 4.417 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.540 6.549 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.361 6.983 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.409 7.504 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.994 5.995 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.882 5.064 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.580 4.004 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.075 4.187 2.350 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.102 7.925 5.989 1.00 0.00 N ATOM 1682 CA GLU A 106 -2.670 8.329 7.272 1.00 0.00 C ATOM 1683 C GLU A 106 -4.058 7.721 7.435 1.00 0.00 C ATOM 1684 O GLU A 106 -4.453 7.318 8.529 1.00 0.00 O ATOM 1685 CB GLU A 106 -2.749 9.854 7.368 1.00 0.00 C ATOM 1686 CG GLU A 106 -1.457 10.558 6.982 1.00 0.00 C ATOM 1687 CD GLU A 106 -0.991 11.543 8.038 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -1.839 12.024 8.818 1.00 0.00 O ATOM 1689 OE2 GLU A 106 0.223 11.832 8.083 1.00 0.00 O ATOM 0 H GLU A 106 -2.090 8.659 5.281 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.024 7.967 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.553 10.209 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.013 10.132 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.678 9.814 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.602 11.084 6.039 1.00 0.00 H new ATOM 1696 N ARG A 107 -4.786 7.649 6.324 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.127 7.078 6.309 1.00 0.00 C ATOM 1698 C ARG A 107 -6.121 5.760 5.544 1.00 0.00 C ATOM 1699 O ARG A 107 -6.248 4.686 6.130 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.114 8.058 5.666 1.00 0.00 C ATOM 1701 CG ARG A 107 -7.224 9.386 6.403 1.00 0.00 C ATOM 1702 CD ARG A 107 -7.639 9.189 7.853 1.00 0.00 C ATOM 1703 NE ARG A 107 -7.568 10.432 8.617 1.00 0.00 N ATOM 1704 CZ ARG A 107 -7.504 10.481 9.946 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -7.504 9.362 10.660 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -7.439 11.652 10.563 1.00 0.00 N ATOM 0 H ARG A 107 -4.465 7.983 5.415 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.442 6.891 7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.807 8.247 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.099 7.593 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.266 9.904 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.951 10.023 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.656 8.799 7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.995 8.442 8.316 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.567 11.313 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.553 8.458 10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.455 9.406 11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.438 12.515 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.390 11.690 11.581 1.00 0.00 H new ATOM 1720 N GLY A 108 -5.946 5.854 4.232 1.00 0.00 N ATOM 1721 CA GLY A 108 -5.897 4.671 3.395 1.00 0.00 C ATOM 1722 C GLY A 108 -7.090 3.748 3.566 1.00 0.00 C ATOM 1723 O GLY A 108 -6.926 2.588 3.932 1.00 0.00 O ATOM 0 H GLY A 108 -5.836 6.735 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.834 4.979 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.986 4.117 3.619 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.285 4.261 3.278 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.522 3.478 3.372 1.00 0.00 C ATOM 1729 C PHE A 109 -10.069 3.415 4.797 1.00 0.00 C ATOM 1730 O PHE A 109 -11.205 2.993 5.004 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.319 2.056 2.836 1.00 0.00 C ATOM 1732 CG PHE A 109 -10.582 1.242 2.798 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -11.525 1.443 1.802 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -10.826 0.277 3.762 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -12.688 0.696 1.770 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -11.986 -0.474 3.733 1.00 0.00 C ATOM 1737 CZ PHE A 109 -12.917 -0.263 2.736 1.00 0.00 C ATOM 0 H PHE A 109 -8.426 5.225 2.975 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.256 3.995 2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.902 2.112 1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.585 1.544 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.349 2.191 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -10.101 0.110 4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -13.416 0.863 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -12.164 -1.225 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 109 -13.824 -0.848 2.712 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.276 3.834 5.782 1.00 0.00 N ATOM 1748 CA ASN A 110 -9.734 3.809 7.167 1.00 0.00 C ATOM 1749 C ASN A 110 -11.003 4.642 7.308 1.00 0.00 C ATOM 1750 O ASN A 110 -11.972 4.219 7.932 1.00 0.00 O ATOM 1751 CB ASN A 110 -8.637 4.315 8.118 1.00 0.00 C ATOM 1752 CG ASN A 110 -8.726 5.806 8.399 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -8.638 6.626 7.488 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -8.904 6.160 9.667 1.00 0.00 N ATOM 0 H ASN A 110 -8.329 4.189 5.649 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.959 2.779 7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.703 3.770 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.661 4.091 7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -8.973 7.147 9.916 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.972 5.445 10.391 1.00 0.00 H new ATOM 1761 N GLY A 111 -10.985 5.822 6.705 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.130 6.697 6.743 1.00 0.00 C ATOM 1763 C GLY A 111 -13.304 6.132 5.974 1.00 0.00 C ATOM 1764 O GLY A 111 -14.448 6.323 6.361 1.00 0.00 O ATOM 0 H GLY A 111 -10.187 6.188 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.423 6.865 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.858 7.667 6.327 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.021 5.439 4.873 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.081 4.862 4.050 1.00 0.00 C ATOM 1770 C TRP A 112 -14.849 3.790 4.815 1.00 0.00 C ATOM 1771 O TRP A 112 -16.075 3.846 4.911 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.480 4.262 2.780 1.00 0.00 C ATOM 1773 CG TRP A 112 -14.514 3.747 1.835 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -15.449 2.791 2.095 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -14.726 4.162 0.482 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -16.233 2.589 0.994 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -15.811 3.416 -0.014 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -14.107 5.091 -0.359 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -16.290 3.571 -1.312 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -14.583 5.245 -1.647 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -15.666 4.488 -2.113 1.00 0.00 C ATOM 0 H TRP A 112 -12.075 5.264 4.533 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.778 5.657 3.785 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -12.879 5.019 2.276 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -12.806 3.449 3.052 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -15.555 2.269 3.034 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.008 1.929 0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -13.271 5.678 -0.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -17.124 2.988 -1.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -14.113 5.960 -2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -16.015 4.631 -3.125 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.127 2.828 5.370 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.753 1.761 6.143 1.00 0.00 C ATOM 1794 C GLU A 113 -15.346 2.313 7.440 1.00 0.00 C ATOM 1795 O GLU A 113 -16.497 2.043 7.781 1.00 0.00 O ATOM 1796 CB GLU A 113 -13.743 0.653 6.457 1.00 0.00 C ATOM 1797 CG GLU A 113 -12.393 1.162 6.938 1.00 0.00 C ATOM 1798 CD GLU A 113 -12.134 0.838 8.397 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.789 1.452 9.267 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -11.280 -0.031 8.670 1.00 0.00 O ATOM 0 H GLU A 113 -13.111 2.762 5.301 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.558 1.337 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -14.164 -0.003 7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.594 0.048 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.604 0.723 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.344 2.241 6.795 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.526 3.072 8.163 1.00 0.00 N ATOM 1808 CA ALA A 114 -14.915 3.663 9.441 1.00 0.00 C ATOM 1809 C ALA A 114 -16.012 4.715 9.297 1.00 0.00 C ATOM 1810 O ALA A 114 -16.951 4.743 10.092 1.00 0.00 O ATOM 1811 CB ALA A 114 -13.698 4.270 10.123 1.00 0.00 C ATOM 0 H ALA A 114 -13.572 3.295 7.879 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.324 2.859 10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.996 4.709 11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.954 3.493 10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.271 5.044 9.485 1.00 0.00 H new ATOM 1817 N SER A 115 -15.888 5.592 8.294 1.00 0.00 N ATOM 1818 CA SER A 115 -16.881 6.656 8.073 1.00 0.00 C ATOM 1819 C SER A 115 -18.301 6.166 8.328 1.00 0.00 C ATOM 1820 O SER A 115 -19.170 6.932 8.745 1.00 0.00 O ATOM 1821 CB SER A 115 -16.786 7.205 6.645 1.00 0.00 C ATOM 1822 OG SER A 115 -17.973 7.886 6.276 1.00 0.00 O ATOM 0 H SER A 115 -15.117 5.589 7.626 1.00 0.00 H new ATOM 0 HA SER A 115 -16.655 7.451 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.936 7.884 6.570 1.00 0.00 H new ATOM 0 HB3 SER A 115 -16.603 6.386 5.949 1.00 0.00 H new ATOM 0 HG SER A 115 -17.884 8.227 5.362 1.00 0.00 H new ATOM 1828 N GLY A 116 -18.530 4.887 8.066 1.00 0.00 N ATOM 1829 CA GLY A 116 -19.845 4.318 8.264 1.00 0.00 C ATOM 1830 C GLY A 116 -20.552 4.077 6.949 1.00 0.00 C ATOM 1831 O GLY A 116 -21.423 3.213 6.852 1.00 0.00 O ATOM 0 H GLY A 116 -17.827 4.234 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.757 3.377 8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -20.443 4.988 8.881 1.00 0.00 H new ATOM 1835 N LYS A 117 -20.168 4.840 5.930 1.00 0.00 N ATOM 1836 CA LYS A 117 -20.763 4.700 4.609 1.00 0.00 C ATOM 1837 C LYS A 117 -20.609 3.266 4.111 1.00 0.00 C ATOM 1838 O LYS A 117 -19.687 2.557 4.515 1.00 0.00 O ATOM 1839 CB LYS A 117 -20.124 5.681 3.624 1.00 0.00 C ATOM 1840 CG LYS A 117 -18.686 5.341 3.266 1.00 0.00 C ATOM 1841 CD LYS A 117 -18.595 4.681 1.900 1.00 0.00 C ATOM 1842 CE LYS A 117 -18.426 5.706 0.791 1.00 0.00 C ATOM 1843 NZ LYS A 117 -19.515 5.616 -0.220 1.00 0.00 N ATOM 0 H LYS A 117 -19.448 5.560 5.995 1.00 0.00 H new ATOM 0 HA LYS A 117 -21.826 4.932 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.720 5.705 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.155 6.683 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.083 6.249 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.269 4.675 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.754 3.988 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -19.495 4.094 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.412 6.707 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.463 5.556 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.363 6.332 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.512 4.669 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -20.432 5.784 0.241 1.00 0.00 H new ATOM 1857 N PRO A 118 -21.520 2.811 3.241 1.00 0.00 N ATOM 1858 CA PRO A 118 -21.488 1.446 2.710 1.00 0.00 C ATOM 1859 C PRO A 118 -20.319 1.188 1.762 1.00 0.00 C ATOM 1860 O PRO A 118 -20.041 1.980 0.861 1.00 0.00 O ATOM 1861 CB PRO A 118 -22.816 1.321 1.961 1.00 0.00 C ATOM 1862 CG PRO A 118 -23.186 2.720 1.606 1.00 0.00 C ATOM 1863 CD PRO A 118 -22.666 3.581 2.722 1.00 0.00 C ATOM 0 HA PRO A 118 -21.355 0.718 3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -22.711 0.701 1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -23.580 0.856 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.746 3.010 0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -24.266 2.824 1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -22.360 4.564 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -23.422 3.743 3.490 1.00 0.00 H new ATOM 1871 N VAL A 119 -19.667 0.048 1.962 1.00 0.00 N ATOM 1872 CA VAL A 119 -18.550 -0.376 1.127 1.00 0.00 C ATOM 1873 C VAL A 119 -19.103 -1.233 -0.016 1.00 0.00 C ATOM 1874 O VAL A 119 -20.150 -1.855 0.153 1.00 0.00 O ATOM 1875 CB VAL A 119 -17.486 -1.133 1.951 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -17.002 -0.270 3.107 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -18.034 -2.453 2.467 1.00 0.00 C ATOM 0 H VAL A 119 -19.898 -0.608 2.708 1.00 0.00 H new ATOM 0 HA VAL A 119 -18.046 0.497 0.712 1.00 0.00 H new ATOM 0 HB VAL A 119 -16.641 -1.351 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -16.252 -0.816 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.563 0.648 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.844 -0.023 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -17.264 -2.966 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -18.899 -2.264 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -18.332 -3.077 1.625 1.00 0.00 H new ATOM 1887 N CYS A 120 -18.450 -1.215 -1.192 1.00 0.00 N ATOM 1888 CA CYS A 120 -18.956 -1.954 -2.377 1.00 0.00 C ATOM 1889 C CYS A 120 -20.219 -2.758 -2.064 1.00 0.00 C ATOM 1890 O CYS A 120 -20.165 -3.789 -1.393 1.00 0.00 O ATOM 1891 CB CYS A 120 -17.875 -2.860 -3.007 1.00 0.00 C ATOM 1892 SG CYS A 120 -18.364 -4.577 -3.345 1.00 0.00 S ATOM 0 H CYS A 120 -17.581 -0.705 -1.353 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.221 -1.194 -3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -17.550 -2.406 -3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -17.011 -2.874 -2.343 1.00 0.00 H new ATOM 0 HG CYS A 120 -19.226 -4.966 -2.453 1.00 0.00 H new ATOM 1897 N ARG A 121 -21.353 -2.280 -2.564 1.00 0.00 N ATOM 1898 CA ARG A 121 -22.618 -2.965 -2.353 1.00 0.00 C ATOM 1899 C ARG A 121 -22.578 -4.297 -3.083 1.00 0.00 C ATOM 1900 O ARG A 121 -23.043 -4.409 -4.218 1.00 0.00 O ATOM 1901 CB ARG A 121 -23.780 -2.113 -2.868 1.00 0.00 C ATOM 1902 CG ARG A 121 -25.037 -2.219 -2.022 1.00 0.00 C ATOM 1903 CD ARG A 121 -26.110 -1.255 -2.501 1.00 0.00 C ATOM 1904 NE ARG A 121 -26.421 -1.443 -3.916 1.00 0.00 N ATOM 1905 CZ ARG A 121 -27.354 -0.752 -4.567 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -28.069 0.172 -3.935 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -27.574 -0.986 -5.854 1.00 0.00 N ATOM 0 H ARG A 121 -21.420 -1.425 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 121 -22.770 -3.133 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -23.465 -1.070 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -24.014 -2.413 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -25.419 -3.239 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -24.795 -2.008 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -27.014 -1.396 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -25.777 -0.230 -2.336 1.00 0.00 H new ATOM 0 HE ARG A 121 -25.893 -2.144 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -27.905 0.355 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -28.782 0.698 -4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.028 -1.695 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -28.289 -0.457 -6.354 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.980 -5.297 -2.444 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.840 -6.610 -3.059 1.00 0.00 C ATOM 1923 C CYS A 122 -23.149 -7.103 -3.662 1.00 0.00 C ATOM 1924 O CYS A 122 -24.202 -6.482 -3.513 1.00 0.00 O ATOM 1925 CB CYS A 122 -21.289 -7.647 -2.079 1.00 0.00 C ATOM 1926 SG CYS A 122 -19.970 -7.042 -0.998 1.00 0.00 S ATOM 0 H CYS A 122 -21.587 -5.223 -1.506 1.00 0.00 H new ATOM 0 HA CYS A 122 -21.119 -6.489 -3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -22.108 -8.013 -1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -20.913 -8.499 -2.646 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.819 -7.218 -1.577 1.00 0.00 H new ATOM 1931 N ALA A 123 -23.037 -8.215 -4.374 1.00 0.00 N ATOM 1932 CA ALA A 123 -24.133 -8.859 -5.076 1.00 0.00 C ATOM 1933 C ALA A 123 -23.497 -9.616 -6.219 1.00 0.00 C ATOM 1934 O ALA A 123 -23.936 -9.550 -7.368 1.00 0.00 O ATOM 1935 CB ALA A 123 -25.135 -7.839 -5.595 1.00 0.00 C ATOM 0 H ALA A 123 -22.151 -8.708 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 123 -24.691 -9.521 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -25.942 -8.354 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -25.545 -7.274 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -24.636 -7.157 -6.284 1.00 0.00 H new ATOM 1941 N GLU A 124 -22.403 -10.287 -5.876 1.00 0.00 N ATOM 1942 CA GLU A 124 -21.606 -11.022 -6.824 1.00 0.00 C ATOM 1943 C GLU A 124 -21.024 -10.080 -7.862 1.00 0.00 C ATOM 1944 O GLU A 124 -21.551 -8.995 -8.101 1.00 0.00 O ATOM 1945 CB GLU A 124 -22.391 -12.132 -7.489 1.00 0.00 C ATOM 1946 CG GLU A 124 -23.783 -12.374 -6.920 1.00 0.00 C ATOM 1947 CD GLU A 124 -24.257 -13.799 -7.123 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -23.727 -14.704 -6.444 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -25.157 -14.011 -7.962 1.00 0.00 O ATOM 0 H GLU A 124 -22.050 -10.330 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 124 -20.791 -11.492 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -22.485 -11.903 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -21.819 -13.056 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -23.781 -12.144 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -24.488 -11.690 -7.392 1.00 0.00 H new ATOM 1956 N VAL A 125 -19.895 -10.492 -8.433 1.00 0.00 N ATOM 1957 CA VAL A 125 -19.175 -9.676 -9.408 1.00 0.00 C ATOM 1958 C VAL A 125 -19.157 -8.202 -8.979 1.00 0.00 C ATOM 1959 O VAL A 125 -19.355 -7.309 -9.803 1.00 0.00 O ATOM 1960 CB VAL A 125 -19.802 -9.789 -10.812 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -19.707 -11.216 -11.327 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -21.249 -9.317 -10.794 1.00 0.00 C ATOM 0 H VAL A 125 -19.457 -11.392 -8.236 1.00 0.00 H new ATOM 0 HA VAL A 125 -18.153 -10.054 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 125 -19.243 -9.144 -11.490 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -20.155 -11.275 -12.319 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -18.660 -11.514 -11.383 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -20.238 -11.884 -10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -21.673 -9.405 -11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -21.824 -9.932 -10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -21.288 -8.276 -10.474 1.00 0.00 H new ATOM 1972 N PRO A 126 -18.979 -7.925 -7.664 1.00 0.00 N ATOM 1973 CA PRO A 126 -19.003 -6.587 -7.104 1.00 0.00 C ATOM 1974 C PRO A 126 -17.643 -6.106 -6.591 1.00 0.00 C ATOM 1975 O PRO A 126 -17.036 -5.204 -7.169 1.00 0.00 O ATOM 1976 CB PRO A 126 -19.949 -6.814 -5.922 1.00 0.00 C ATOM 1977 CG PRO A 126 -19.766 -8.272 -5.546 1.00 0.00 C ATOM 1978 CD PRO A 126 -18.811 -8.864 -6.560 1.00 0.00 C ATOM 0 HA PRO A 126 -19.292 -5.826 -7.829 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.702 -6.157 -5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.982 -6.604 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -19.365 -8.364 -4.537 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -20.720 -8.798 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -17.785 -8.894 -6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.081 -9.883 -6.838 1.00 0.00 H new ATOM 1986 N CYS A 127 -17.192 -6.706 -5.482 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.920 -6.349 -4.847 1.00 0.00 C ATOM 1988 C CYS A 127 -14.847 -6.021 -5.878 1.00 0.00 C ATOM 1989 O CYS A 127 -14.936 -6.443 -7.030 1.00 0.00 O ATOM 1990 CB CYS A 127 -15.468 -7.481 -3.928 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.751 -8.028 -2.776 1.00 0.00 S ATOM 0 H CYS A 127 -17.698 -7.450 -5.002 1.00 0.00 H new ATOM 0 HA CYS A 127 -16.075 -5.448 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -15.151 -8.328 -4.536 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -14.597 -7.153 -3.361 1.00 0.00 H new ATOM 0 HG CYS A 127 -16.287 -8.990 -2.035 1.00 0.00 H new ATOM 1996 N LYS A 128 -13.852 -5.232 -5.475 1.00 0.00 N ATOM 1997 CA LYS A 128 -12.808 -4.825 -6.403 1.00 0.00 C ATOM 1998 C LYS A 128 -11.391 -5.037 -5.890 1.00 0.00 C ATOM 1999 O LYS A 128 -10.519 -5.447 -6.658 1.00 0.00 O ATOM 2000 CB LYS A 128 -12.961 -3.334 -6.753 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.319 -2.986 -7.344 1.00 0.00 C ATOM 2002 CD LYS A 128 -14.475 -1.486 -7.552 1.00 0.00 C ATOM 2003 CE LYS A 128 -14.586 -1.135 -9.026 1.00 0.00 C ATOM 2004 NZ LYS A 128 -15.485 0.030 -9.253 1.00 0.00 N ATOM 0 H LYS A 128 -13.750 -4.869 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 128 -12.941 -5.466 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -12.802 -2.740 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -12.182 -3.054 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -14.444 -3.500 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -15.107 -3.345 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -15.363 -1.135 -7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -13.621 -0.967 -7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -13.595 -0.912 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -14.962 -1.997 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -15.534 0.238 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -16.437 -0.192 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -15.113 0.859 -8.748 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.111 -4.628 -4.651 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.735 -4.666 -4.206 1.00 0.00 C ATOM 2020 C GLY A 129 -9.053 -3.597 -5.011 1.00 0.00 C ATOM 2021 O GLY A 129 -7.842 -3.584 -5.236 1.00 0.00 O ATOM 0 H GLY A 129 -11.790 -4.283 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.657 -4.469 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.287 -5.644 -4.383 1.00 0.00 H new