USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 81 HIS : no HE2:sc= -0.0543 K(o=-0.6,f=-2.8!) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 54 MET CE :methyl 154:sc= -0.248 (180deg=-1.04) USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= 1.01 (180deg=0.0903) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 29:sc= 0.124 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -137:sc= 0.998 (180deg=-1.38!) USER MOD Single : A 63 ASN : amide:sc= -0.182 K(o=-0.18,f=-8.8!) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc=-0.00126 (180deg=-0.0835) USER MOD Single : A 74 CYS SG : rot 66:sc= -1.14 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.16) USER MOD Single : A 76 MET CE :methyl 171:sc= -3.28! (180deg=-3.86!) USER MOD Single : A 77 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.6) USER MOD Single : A 78 THR OG1 : rot -25:sc= 1.1 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.906! C(o=-0.91!,f=-11!) USER MOD Single : A 92 GLN : amide:sc= 0.0493 K(o=0.049,f=-5.8!) USER MOD Single : A 93 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.38) USER MOD Single : A 96 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-9.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00782 USER MOD Single : A 102 SER OG : rot -33:sc= 0.449 USER MOD Single : A 106 CYS SG : rot 89:sc= 1.2 USER MOD Single : A 107 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.47) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -18:sc= -4.52! USER MOD Single : A 128 ASN : amide:sc= 0.782 K(o=0.78,f=-0.61) USER MOD Single : A 131 CYS SG : rot 142:sc= 0.104! USER MOD Single : A 132 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.17) USER MOD Single : A 138 SER OG : rot 28:sc= 0.896 USER MOD Single : A 140 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.002) USER MOD Single : A 141 LYS NZ :NH3+ 144:sc= -2.2! (180deg=-3.98!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -24.432 -8.581 -1.646 1.00 11.48 N ATOM 2 CA GLY A 51 -23.582 -9.636 -2.250 1.00 11.08 C ATOM 3 C GLY A 51 -23.198 -9.327 -3.686 1.00 10.43 C ATOM 4 O GLY A 51 -22.023 -9.417 -4.051 1.00 10.45 O ATOM 0 HA2 GLY A 51 -22.677 -9.754 -1.653 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -24.112 -10.588 -2.217 1.00 11.08 H new ATOM 10 N SER A 52 -24.181 -8.963 -4.503 1.00 10.08 N ATOM 11 CA SER A 52 -23.940 -8.664 -5.910 1.00 9.69 C ATOM 12 C SER A 52 -23.585 -7.192 -6.102 1.00 9.02 C ATOM 13 O SER A 52 -23.053 -6.793 -7.139 1.00 8.98 O ATOM 14 CB SER A 52 -25.178 -9.029 -6.728 1.00 10.27 C ATOM 15 OG SER A 52 -26.357 -8.574 -6.085 1.00 10.53 O ATOM 0 H SER A 52 -25.155 -8.868 -4.214 1.00 10.08 H new ATOM 0 HA SER A 52 -23.094 -9.257 -6.256 1.00 9.69 H new ATOM 0 HB2 SER A 52 -25.106 -8.587 -7.722 1.00 10.27 H new ATOM 0 HB3 SER A 52 -25.225 -10.110 -6.862 1.00 10.27 H new ATOM 0 HG SER A 52 -27.138 -8.816 -6.625 1.00 10.53 H new ATOM 21 N HIS A 53 -23.892 -6.390 -5.097 1.00 8.73 N ATOM 22 CA HIS A 53 -23.559 -4.974 -5.116 1.00 8.32 C ATOM 23 C HIS A 53 -22.229 -4.758 -4.406 1.00 7.73 C ATOM 24 O HIS A 53 -21.709 -5.678 -3.776 1.00 7.87 O ATOM 25 CB HIS A 53 -24.671 -4.165 -4.441 1.00 8.73 C ATOM 26 CG HIS A 53 -26.025 -4.427 -5.029 1.00 9.23 C ATOM 27 ND1 HIS A 53 -26.936 -5.238 -4.395 1.00 9.69 N ATOM 28 CD2 HIS A 53 -26.554 -3.999 -6.198 1.00 9.62 C ATOM 29 CE1 HIS A 53 -27.989 -5.289 -5.193 1.00 10.29 C ATOM 30 NE2 HIS A 53 -27.805 -4.554 -6.298 1.00 10.28 N ATOM 0 H HIS A 53 -24.374 -6.697 -4.252 1.00 8.73 H new ATOM 0 HA HIS A 53 -23.468 -4.634 -6.147 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -24.691 -4.402 -3.377 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -24.443 -3.103 -4.527 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -26.082 -3.345 -6.916 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -28.885 -5.853 -4.981 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -28.466 -4.431 -7.065 1.00 10.28 H new ATOM 38 N MET A 54 -21.687 -3.548 -4.495 1.00 7.35 N ATOM 39 CA MET A 54 -20.357 -3.253 -3.950 1.00 7.08 C ATOM 40 C MET A 54 -20.403 -3.033 -2.442 1.00 6.25 C ATOM 41 O MET A 54 -19.725 -2.148 -1.918 1.00 6.50 O ATOM 42 CB MET A 54 -19.747 -2.011 -4.614 1.00 7.61 C ATOM 43 CG MET A 54 -19.488 -2.153 -6.103 1.00 8.34 C ATOM 44 SD MET A 54 -21.002 -2.141 -7.083 1.00 8.78 S ATOM 45 CE MET A 54 -21.626 -0.503 -6.709 1.00 9.55 C ATOM 0 H MET A 54 -22.145 -2.752 -4.939 1.00 7.35 H new ATOM 0 HA MET A 54 -19.734 -4.122 -4.164 1.00 7.08 H new ATOM 0 HB2 MET A 54 -20.415 -1.165 -4.454 1.00 7.61 H new ATOM 0 HB3 MET A 54 -18.807 -1.774 -4.116 1.00 7.61 H new ATOM 0 HG2 MET A 54 -18.841 -1.340 -6.433 1.00 8.34 H new ATOM 0 HG3 MET A 54 -18.950 -3.083 -6.286 1.00 8.34 H new ATOM 0 HE1 MET A 54 -22.253 -0.156 -7.531 1.00 9.55 H new ATOM 0 HE2 MET A 54 -22.215 -0.539 -5.793 1.00 9.55 H new ATOM 0 HE3 MET A 54 -20.790 0.183 -6.576 1.00 9.55 H new ATOM 55 N GLY A 55 -21.209 -3.818 -1.748 1.00 5.61 N ATOM 56 CA GLY A 55 -21.291 -3.695 -0.313 1.00 5.11 C ATOM 57 C GLY A 55 -21.292 -5.033 0.376 1.00 4.35 C ATOM 58 O GLY A 55 -22.191 -5.328 1.163 1.00 4.69 O ATOM 0 H GLY A 55 -21.807 -4.538 -2.154 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -20.449 -3.104 0.047 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -22.198 -3.152 -0.048 1.00 5.11 H new ATOM 62 N LYS A 56 -20.310 -5.862 0.070 1.00 3.64 N ATOM 63 CA LYS A 56 -20.222 -7.166 0.704 1.00 3.11 C ATOM 64 C LYS A 56 -18.821 -7.427 1.253 1.00 2.55 C ATOM 65 O LYS A 56 -18.667 -7.775 2.425 1.00 2.86 O ATOM 66 CB LYS A 56 -20.670 -8.278 -0.263 1.00 3.33 C ATOM 67 CG LYS A 56 -19.703 -8.603 -1.403 1.00 3.32 C ATOM 68 CD LYS A 56 -19.649 -7.499 -2.447 1.00 4.10 C ATOM 69 CE LYS A 56 -18.721 -7.857 -3.598 1.00 4.54 C ATOM 70 NZ LYS A 56 -19.178 -9.069 -4.327 1.00 5.01 N ATOM 0 H LYS A 56 -19.571 -5.660 -0.604 1.00 3.64 H new ATOM 0 HA LYS A 56 -20.904 -7.172 1.554 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -20.840 -9.187 0.314 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -21.628 -7.992 -0.696 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -18.705 -8.763 -0.995 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -20.006 -9.535 -1.879 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -20.652 -7.313 -2.832 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -19.310 -6.574 -1.981 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -18.663 -7.018 -4.291 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -17.715 -8.023 -3.214 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -18.945 -8.975 -5.336 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -18.702 -9.908 -3.938 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -20.207 -9.173 -4.217 1.00 5.01 H new ATOM 84 N LYS A 57 -17.803 -7.254 0.423 1.00 2.28 N ATOM 85 CA LYS A 57 -16.436 -7.498 0.843 1.00 1.87 C ATOM 86 C LYS A 57 -15.731 -6.194 1.204 1.00 1.72 C ATOM 87 O LYS A 57 -16.367 -5.142 1.269 1.00 2.48 O ATOM 88 CB LYS A 57 -15.691 -8.264 -0.247 1.00 1.84 C ATOM 89 CG LYS A 57 -15.284 -9.657 0.208 1.00 2.16 C ATOM 90 CD LYS A 57 -14.647 -10.463 -0.908 1.00 2.61 C ATOM 91 CE LYS A 57 -15.645 -10.813 -1.999 1.00 3.28 C ATOM 92 NZ LYS A 57 -15.062 -11.743 -3.001 1.00 3.67 N ATOM 0 H LYS A 57 -17.900 -6.946 -0.544 1.00 2.28 H new ATOM 0 HA LYS A 57 -16.445 -8.110 1.745 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -16.324 -8.342 -1.131 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.802 -7.705 -0.540 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -14.584 -9.575 1.040 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -16.161 -10.186 0.580 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -13.822 -9.896 -1.340 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -14.223 -11.379 -0.497 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -16.529 -11.268 -1.551 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -15.974 -9.901 -2.497 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -15.773 -11.959 -3.729 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -14.234 -11.299 -3.446 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -14.771 -12.623 -2.530 1.00 3.67 H new ATOM 106 N CYS A 58 -14.412 -6.264 1.361 1.00 1.35 N ATOM 107 CA CYS A 58 -13.634 -5.186 1.969 1.00 1.14 C ATOM 108 C CYS A 58 -12.152 -5.498 1.925 1.00 0.88 C ATOM 109 O CYS A 58 -11.396 -4.968 1.115 1.00 1.38 O ATOM 110 CB CYS A 58 -14.044 -4.955 3.437 1.00 1.36 C ATOM 111 SG CYS A 58 -15.599 -4.063 3.682 1.00 1.88 S ATOM 0 H CYS A 58 -13.853 -7.066 1.072 1.00 1.35 H new ATOM 0 HA CYS A 58 -13.839 -4.284 1.392 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -14.119 -5.924 3.931 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -13.247 -4.404 3.936 1.00 1.36 H new ATOM 0 HG CYS A 58 -16.390 -4.285 2.675 1.00 1.88 H new ATOM 117 N TYR A 59 -11.795 -6.398 2.793 1.00 0.42 N ATOM 118 CA TYR A 59 -10.411 -6.783 3.065 1.00 0.31 C ATOM 119 C TYR A 59 -9.707 -5.686 3.849 1.00 0.30 C ATOM 120 O TYR A 59 -8.493 -5.582 3.802 1.00 0.33 O ATOM 121 CB TYR A 59 -9.605 -7.073 1.788 1.00 0.67 C ATOM 122 CG TYR A 59 -10.148 -8.188 0.931 1.00 1.01 C ATOM 123 CD1 TYR A 59 -11.100 -7.926 -0.032 1.00 1.22 C ATOM 124 CD2 TYR A 59 -9.698 -9.492 1.073 1.00 1.26 C ATOM 125 CE1 TYR A 59 -11.595 -8.923 -0.839 1.00 1.56 C ATOM 126 CE2 TYR A 59 -10.187 -10.502 0.273 1.00 1.58 C ATOM 127 CZ TYR A 59 -11.136 -10.214 -0.683 1.00 1.66 C ATOM 128 OH TYR A 59 -11.621 -11.219 -1.483 1.00 2.04 O ATOM 0 H TYR A 59 -12.471 -6.911 3.359 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.458 -7.705 3.645 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.562 -6.163 1.189 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.581 -7.318 2.070 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -11.464 -6.917 -0.155 1.00 1.22 H new ATOM 0 HD2 TYR A 59 -8.953 -9.719 1.822 1.00 1.26 H new ATOM 0 HE1 TYR A 59 -12.338 -8.697 -1.590 1.00 1.56 H new ATOM 0 HE2 TYR A 59 -9.828 -11.513 0.395 1.00 1.58 H new ATOM 0 HH TYR A 59 -11.191 -12.066 -1.241 1.00 2.04 H new ATOM 138 N LYS A 60 -10.477 -4.867 4.562 1.00 0.29 N ATOM 139 CA LYS A 60 -9.919 -3.737 5.307 1.00 0.29 C ATOM 140 C LYS A 60 -8.786 -4.196 6.217 1.00 0.25 C ATOM 141 O LYS A 60 -7.666 -3.705 6.124 1.00 0.26 O ATOM 142 CB LYS A 60 -11.037 -3.088 6.142 1.00 0.37 C ATOM 143 CG LYS A 60 -10.624 -1.851 6.935 1.00 0.57 C ATOM 144 CD LYS A 60 -9.838 -2.198 8.182 1.00 0.43 C ATOM 145 CE LYS A 60 -9.623 -0.976 9.039 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.049 0.153 8.263 1.00 1.62 N ATOM 0 H LYS A 60 -11.489 -4.963 4.641 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.513 -3.010 4.603 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.855 -2.815 5.475 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.427 -3.831 6.837 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.023 -1.200 6.300 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.515 -1.289 7.215 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.371 -2.958 8.753 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -8.875 -2.625 7.903 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.572 -0.669 9.478 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -8.956 -1.225 9.865 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.300 0.611 8.820 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.649 -0.206 7.373 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.796 0.845 8.052 1.00 1.62 H new ATOM 160 N LEU A 61 -9.091 -5.149 7.086 1.00 0.25 N ATOM 161 CA LEU A 61 -8.102 -5.692 7.993 1.00 0.25 C ATOM 162 C LEU A 61 -6.921 -6.256 7.239 1.00 0.26 C ATOM 163 O LEU A 61 -5.768 -6.026 7.598 1.00 0.30 O ATOM 164 CB LEU A 61 -8.708 -6.778 8.851 1.00 0.30 C ATOM 165 CG LEU A 61 -8.778 -6.445 10.336 1.00 0.36 C ATOM 166 CD1 LEU A 61 -8.990 -7.711 11.144 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.522 -5.701 10.785 1.00 0.63 C ATOM 0 H LEU A 61 -10.020 -5.560 7.179 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.758 -4.876 8.628 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.715 -6.988 8.491 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.127 -7.691 8.723 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.628 -5.785 10.509 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.039 -7.462 12.204 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -9.923 -8.185 10.839 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.161 -8.397 10.970 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.594 -5.474 11.849 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.646 -6.325 10.606 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.428 -4.773 10.221 1.00 0.63 H new ATOM 179 N GLU A 62 -7.227 -7.009 6.203 1.00 0.25 N ATOM 180 CA GLU A 62 -6.234 -7.581 5.358 1.00 0.29 C ATOM 181 C GLU A 62 -5.328 -6.503 4.779 1.00 0.23 C ATOM 182 O GLU A 62 -4.113 -6.630 4.827 1.00 0.20 O ATOM 183 CB GLU A 62 -6.915 -8.353 4.248 1.00 0.39 C ATOM 184 CG GLU A 62 -6.093 -9.520 3.809 1.00 0.63 C ATOM 185 CD GLU A 62 -6.739 -10.337 2.711 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.552 -11.230 3.030 1.00 1.98 O ATOM 187 OE2 GLU A 62 -6.424 -10.110 1.525 1.00 2.20 O ATOM 0 H GLU A 62 -8.184 -7.235 5.933 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.612 -8.257 5.944 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -7.889 -8.701 4.590 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.093 -7.692 3.400 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.124 -9.161 3.461 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -5.905 -10.165 4.667 1.00 0.63 H new ATOM 194 N ASN A 63 -5.923 -5.438 4.263 1.00 0.22 N ATOM 195 CA ASN A 63 -5.177 -4.382 3.597 1.00 0.19 C ATOM 196 C ASN A 63 -4.371 -3.571 4.591 1.00 0.15 C ATOM 197 O ASN A 63 -3.225 -3.219 4.321 1.00 0.16 O ATOM 198 CB ASN A 63 -6.127 -3.477 2.819 1.00 0.21 C ATOM 199 CG ASN A 63 -6.786 -4.201 1.663 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.228 -5.147 1.118 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.972 -3.757 1.278 1.00 0.27 N ATOM 0 H ASN A 63 -6.931 -5.282 4.294 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.480 -4.847 2.900 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.895 -3.095 3.492 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.577 -2.615 2.440 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.457 -4.205 0.500 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.401 -2.967 1.759 1.00 0.27 H new ATOM 208 N GLU A 64 -4.973 -3.274 5.733 1.00 0.15 N ATOM 209 CA GLU A 64 -4.265 -2.719 6.852 1.00 0.16 C ATOM 210 C GLU A 64 -3.020 -3.535 7.142 1.00 0.14 C ATOM 211 O GLU A 64 -1.901 -3.034 7.106 1.00 0.17 O ATOM 212 CB GLU A 64 -5.191 -2.762 8.029 1.00 0.21 C ATOM 213 CG GLU A 64 -5.936 -1.476 8.226 1.00 0.30 C ATOM 214 CD GLU A 64 -6.236 -0.696 6.968 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.403 0.150 6.588 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.338 -0.856 6.416 1.00 1.75 O ATOM 0 H GLU A 64 -5.969 -3.416 5.899 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.954 -1.696 6.640 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.905 -3.574 7.895 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.618 -2.987 8.929 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.878 -1.696 8.729 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.357 -0.841 8.897 1.00 0.30 H new ATOM 223 N LYS A 65 -3.253 -4.813 7.386 1.00 0.13 N ATOM 224 CA LYS A 65 -2.224 -5.761 7.711 1.00 0.14 C ATOM 225 C LYS A 65 -1.167 -5.822 6.629 1.00 0.12 C ATOM 226 O LYS A 65 0.015 -5.647 6.896 1.00 0.14 O ATOM 227 CB LYS A 65 -2.890 -7.115 7.839 1.00 0.20 C ATOM 228 CG LYS A 65 -2.187 -8.055 8.771 1.00 0.44 C ATOM 229 CD LYS A 65 -1.125 -8.880 8.061 1.00 0.86 C ATOM 230 CE LYS A 65 -1.722 -9.834 7.038 1.00 1.32 C ATOM 231 NZ LYS A 65 -2.533 -10.904 7.677 1.00 1.93 N ATOM 0 H LYS A 65 -4.188 -5.221 7.361 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.729 -5.465 8.636 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.914 -6.974 8.186 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -2.949 -7.574 6.852 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.724 -7.486 9.577 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -2.917 -8.722 9.230 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.422 -8.212 7.564 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.558 -9.449 8.798 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.346 -9.274 6.342 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -0.921 -10.287 6.454 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -2.779 -11.624 6.968 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -1.984 -11.345 8.442 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -3.404 -10.492 8.069 1.00 1.93 H new ATOM 245 N LEU A 66 -1.615 -6.095 5.413 1.00 0.11 N ATOM 246 CA LEU A 66 -0.731 -6.193 4.260 1.00 0.10 C ATOM 247 C LEU A 66 0.118 -4.942 4.140 1.00 0.08 C ATOM 248 O LEU A 66 1.320 -5.019 3.886 1.00 0.08 O ATOM 249 CB LEU A 66 -1.543 -6.394 2.983 1.00 0.10 C ATOM 250 CG LEU A 66 -2.262 -7.735 2.866 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.138 -7.752 1.629 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.261 -8.874 2.823 1.00 0.17 C ATOM 0 H LEU A 66 -2.599 -6.255 5.197 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.076 -7.053 4.400 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.284 -5.597 2.915 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.876 -6.283 2.128 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.894 -7.868 3.744 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.646 -8.714 1.556 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.878 -6.955 1.696 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.521 -7.600 0.744 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.792 -9.822 2.740 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.604 -8.749 1.962 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.666 -8.870 3.736 1.00 0.17 H new ATOM 264 N PHE A 67 -0.509 -3.793 4.339 1.00 0.07 N ATOM 265 CA PHE A 67 0.205 -2.537 4.337 1.00 0.06 C ATOM 266 C PHE A 67 1.310 -2.553 5.383 1.00 0.06 C ATOM 267 O PHE A 67 2.446 -2.205 5.089 1.00 0.07 O ATOM 268 CB PHE A 67 -0.737 -1.364 4.599 1.00 0.08 C ATOM 269 CG PHE A 67 -0.017 -0.059 4.568 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.800 0.238 3.498 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.132 0.851 5.601 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.498 1.429 3.451 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.557 2.045 5.560 1.00 0.12 C ATOM 274 CZ PHE A 67 1.374 2.331 4.483 1.00 0.09 C ATOM 0 H PHE A 67 -1.512 -3.710 4.504 1.00 0.07 H new ATOM 0 HA PHE A 67 0.647 -2.409 3.349 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.529 -1.360 3.851 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.216 -1.492 5.570 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.895 -0.469 2.687 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.766 0.626 6.446 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.137 1.651 2.609 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.458 2.755 6.368 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.916 3.264 4.451 1.00 0.09 H new ATOM 284 N GLU A 68 0.967 -2.969 6.598 1.00 0.08 N ATOM 285 CA GLU A 68 1.945 -3.066 7.678 1.00 0.09 C ATOM 286 C GLU A 68 3.053 -4.025 7.305 1.00 0.10 C ATOM 287 O GLU A 68 4.221 -3.718 7.469 1.00 0.12 O ATOM 288 CB GLU A 68 1.296 -3.574 8.966 1.00 0.14 C ATOM 289 CG GLU A 68 0.003 -2.891 9.321 1.00 0.21 C ATOM 290 CD GLU A 68 -0.597 -3.429 10.600 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.130 -4.557 10.577 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.528 -2.737 11.638 1.00 1.19 O ATOM 0 H GLU A 68 0.020 -3.244 6.860 1.00 0.08 H new ATOM 0 HA GLU A 68 2.347 -2.065 7.838 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.113 -4.644 8.869 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.999 -3.444 9.789 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.177 -1.820 9.426 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.709 -3.020 8.506 1.00 0.21 H new ATOM 299 N GLU A 69 2.675 -5.177 6.787 1.00 0.10 N ATOM 300 CA GLU A 69 3.628 -6.223 6.450 1.00 0.12 C ATOM 301 C GLU A 69 4.623 -5.729 5.420 1.00 0.11 C ATOM 302 O GLU A 69 5.801 -6.083 5.441 1.00 0.14 O ATOM 303 CB GLU A 69 2.883 -7.429 5.906 1.00 0.15 C ATOM 304 CG GLU A 69 1.889 -8.010 6.890 1.00 0.25 C ATOM 305 CD GLU A 69 2.536 -8.449 8.189 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.430 -9.321 8.152 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.140 -7.939 9.260 1.00 1.21 O ATOM 0 H GLU A 69 1.704 -5.416 6.588 1.00 0.10 H new ATOM 0 HA GLU A 69 4.174 -6.503 7.351 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.358 -7.143 4.995 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.604 -8.199 5.630 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.121 -7.267 7.105 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.388 -8.863 6.432 1.00 0.25 H new ATOM 314 N PHE A 70 4.128 -4.896 4.531 1.00 0.09 N ATOM 315 CA PHE A 70 4.930 -4.302 3.507 1.00 0.09 C ATOM 316 C PHE A 70 5.722 -3.144 4.110 1.00 0.08 C ATOM 317 O PHE A 70 6.896 -2.951 3.803 1.00 0.10 O ATOM 318 CB PHE A 70 4.018 -3.834 2.379 1.00 0.09 C ATOM 319 CG PHE A 70 4.740 -3.216 1.233 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.109 -1.897 1.301 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.046 -3.947 0.098 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.779 -1.299 0.261 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.719 -3.356 -0.953 1.00 0.13 C ATOM 324 CZ PHE A 70 6.087 -2.026 -0.870 1.00 0.13 C ATOM 0 H PHE A 70 3.148 -4.615 4.506 1.00 0.09 H new ATOM 0 HA PHE A 70 5.639 -5.021 3.097 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.441 -4.684 2.016 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.305 -3.112 2.778 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.870 -1.321 2.183 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.757 -4.986 0.034 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.064 -0.260 0.329 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.957 -3.930 -1.836 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.614 -1.558 -1.688 1.00 0.13 H new ATOM 334 N LEU A 71 5.057 -2.378 4.970 1.00 0.07 N ATOM 335 CA LEU A 71 5.676 -1.281 5.690 1.00 0.08 C ATOM 336 C LEU A 71 6.863 -1.747 6.532 1.00 0.08 C ATOM 337 O LEU A 71 7.970 -1.225 6.407 1.00 0.09 O ATOM 338 CB LEU A 71 4.647 -0.579 6.569 1.00 0.09 C ATOM 339 CG LEU A 71 4.088 0.701 5.966 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.593 1.646 7.034 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.144 1.375 5.142 1.00 0.10 C ATOM 0 H LEU A 71 4.068 -2.506 5.185 1.00 0.07 H new ATOM 0 HA LEU A 71 6.057 -0.577 4.950 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.824 -1.266 6.766 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.104 -0.346 7.531 1.00 0.09 H new ATOM 0 HG LEU A 71 3.241 0.434 5.334 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.201 2.549 6.567 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.804 1.163 7.610 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.417 1.909 7.697 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.740 2.291 4.712 1.00 0.10 H new ATOM 0 HD22 LEU A 71 5.999 1.617 5.773 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.462 0.707 4.341 1.00 0.10 H new ATOM 353 N GLU A 72 6.613 -2.719 7.397 1.00 0.08 N ATOM 354 CA GLU A 72 7.662 -3.333 8.212 1.00 0.11 C ATOM 355 C GLU A 72 8.780 -3.841 7.321 1.00 0.09 C ATOM 356 O GLU A 72 9.960 -3.643 7.604 1.00 0.12 O ATOM 357 CB GLU A 72 7.106 -4.496 9.024 1.00 0.19 C ATOM 358 CG GLU A 72 5.872 -4.126 9.804 1.00 0.26 C ATOM 359 CD GLU A 72 6.140 -3.115 10.893 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.527 -3.524 12.005 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.959 -1.907 10.647 1.00 1.13 O ATOM 0 H GLU A 72 5.683 -3.106 7.557 1.00 0.08 H new ATOM 0 HA GLU A 72 8.047 -2.575 8.894 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.872 -5.323 8.353 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.872 -4.852 9.713 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.124 -3.725 9.120 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.447 -5.026 10.249 1.00 0.26 H new ATOM 368 N LEU A 73 8.385 -4.507 6.246 1.00 0.10 N ATOM 369 CA LEU A 73 9.319 -4.949 5.219 1.00 0.11 C ATOM 370 C LEU A 73 10.180 -3.790 4.756 1.00 0.10 C ATOM 371 O LEU A 73 11.400 -3.903 4.717 1.00 0.12 O ATOM 372 CB LEU A 73 8.558 -5.526 4.024 1.00 0.14 C ATOM 373 CG LEU A 73 9.419 -5.913 2.822 1.00 0.20 C ATOM 374 CD1 LEU A 73 10.056 -7.273 3.026 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.593 -5.893 1.550 1.00 0.46 C ATOM 0 H LEU A 73 7.413 -4.756 6.061 1.00 0.10 H new ATOM 0 HA LEU A 73 9.958 -5.722 5.646 1.00 0.11 H new ATOM 0 HB2 LEU A 73 8.010 -6.408 4.356 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.818 -4.795 3.699 1.00 0.14 H new ATOM 0 HG LEU A 73 10.219 -5.179 2.726 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.663 -7.524 2.156 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.687 -7.250 3.915 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.277 -8.024 3.154 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.221 -6.171 0.704 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.770 -6.602 1.639 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.193 -4.891 1.392 1.00 0.46 H new ATOM 387 N CYS A 74 9.548 -2.672 4.429 1.00 0.09 N ATOM 388 CA CYS A 74 10.291 -1.501 3.986 1.00 0.10 C ATOM 389 C CYS A 74 11.259 -1.046 5.069 1.00 0.11 C ATOM 390 O CYS A 74 12.400 -0.741 4.778 1.00 0.14 O ATOM 391 CB CYS A 74 9.362 -0.357 3.585 1.00 0.10 C ATOM 392 SG CYS A 74 8.230 -0.789 2.256 1.00 0.11 S ATOM 0 H CYS A 74 8.536 -2.551 4.461 1.00 0.09 H new ATOM 0 HA CYS A 74 10.858 -1.787 3.101 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.786 -0.044 4.456 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.963 0.498 3.277 1.00 0.10 H new ATOM 0 HG CYS A 74 7.394 -1.693 2.674 1.00 0.11 H new ATOM 398 N LYS A 75 10.834 -1.064 6.326 1.00 0.11 N ATOM 399 CA LYS A 75 11.712 -0.689 7.427 1.00 0.12 C ATOM 400 C LYS A 75 12.942 -1.593 7.471 1.00 0.13 C ATOM 401 O LYS A 75 13.964 -1.243 8.060 1.00 0.16 O ATOM 402 CB LYS A 75 10.963 -0.792 8.748 1.00 0.13 C ATOM 403 CG LYS A 75 9.781 0.132 8.853 1.00 0.18 C ATOM 404 CD LYS A 75 8.994 -0.169 10.103 1.00 0.20 C ATOM 405 CE LYS A 75 7.768 0.706 10.211 1.00 0.30 C ATOM 406 NZ LYS A 75 6.964 0.381 11.415 1.00 0.32 N ATOM 0 H LYS A 75 9.891 -1.333 6.608 1.00 0.11 H new ATOM 0 HA LYS A 75 12.036 0.340 7.269 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.622 -1.819 8.882 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.653 -0.577 9.563 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.120 1.168 8.869 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.143 0.019 7.977 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.695 -1.217 10.102 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.627 -0.019 10.977 1.00 0.20 H new ATOM 0 HE2 LYS A 75 8.070 1.753 10.247 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.153 0.583 9.319 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.159 1.036 11.482 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.612 -0.595 11.344 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.557 0.474 12.264 1.00 0.32 H new ATOM 420 N MET A 76 12.828 -2.754 6.839 1.00 0.12 N ATOM 421 CA MET A 76 13.898 -3.733 6.811 1.00 0.13 C ATOM 422 C MET A 76 14.820 -3.530 5.607 1.00 0.14 C ATOM 423 O MET A 76 16.028 -3.739 5.708 1.00 0.16 O ATOM 424 CB MET A 76 13.303 -5.147 6.803 1.00 0.14 C ATOM 425 CG MET A 76 12.498 -5.463 8.052 1.00 0.15 C ATOM 426 SD MET A 76 12.116 -7.218 8.230 1.00 0.21 S ATOM 427 CE MET A 76 11.052 -7.480 6.817 1.00 0.40 C ATOM 0 H MET A 76 11.990 -3.040 6.333 1.00 0.12 H new ATOM 0 HA MET A 76 14.504 -3.601 7.707 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.663 -5.260 5.928 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.110 -5.873 6.705 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.053 -5.128 8.928 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.567 -4.896 8.029 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.862 -8.547 6.697 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.107 -6.958 6.971 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.537 -7.095 5.920 1.00 0.40 H new ATOM 437 N GLN A 77 14.264 -3.124 4.466 1.00 0.14 N ATOM 438 CA GLN A 77 15.062 -2.952 3.257 1.00 0.15 C ATOM 439 C GLN A 77 15.309 -1.482 2.894 1.00 0.16 C ATOM 440 O GLN A 77 16.127 -1.190 2.022 1.00 0.22 O ATOM 441 CB GLN A 77 14.401 -3.666 2.077 1.00 0.19 C ATOM 442 CG GLN A 77 13.039 -4.264 2.372 1.00 0.21 C ATOM 443 CD GLN A 77 12.965 -5.726 2.001 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.630 -6.079 0.876 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.267 -6.588 2.955 1.00 0.25 N ATOM 0 H GLN A 77 13.273 -2.910 4.355 1.00 0.14 H new ATOM 0 HA GLN A 77 16.034 -3.396 3.470 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.300 -2.959 1.254 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.064 -4.461 1.735 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.815 -4.148 3.433 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.275 -3.713 1.823 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.541 -6.252 3.878 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.226 -7.590 2.769 1.00 0.25 H new ATOM 454 N THR A 78 14.625 -0.554 3.547 1.00 0.17 N ATOM 455 CA THR A 78 14.801 0.861 3.235 1.00 0.22 C ATOM 456 C THR A 78 15.409 1.598 4.416 1.00 0.30 C ATOM 457 O THR A 78 14.959 2.676 4.774 1.00 0.32 O ATOM 458 CB THR A 78 13.484 1.584 2.825 1.00 0.17 C ATOM 459 OG1 THR A 78 12.559 1.622 3.915 1.00 0.14 O ATOM 460 CG2 THR A 78 12.816 0.911 1.642 1.00 0.22 C ATOM 0 H THR A 78 13.951 -0.749 4.287 1.00 0.17 H new ATOM 0 HA THR A 78 15.470 0.885 2.375 1.00 0.22 H new ATOM 0 HB THR A 78 13.762 2.599 2.543 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.742 0.877 4.525 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.901 1.446 1.388 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.492 0.922 0.787 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.574 -0.120 1.899 1.00 0.22 H new ATOM 468 N ALA A 79 16.427 1.020 5.040 1.00 0.38 N ATOM 469 CA ALA A 79 17.140 1.707 6.109 1.00 0.50 C ATOM 470 C ALA A 79 17.725 3.019 5.609 1.00 0.52 C ATOM 471 O ALA A 79 17.885 3.974 6.367 1.00 0.55 O ATOM 472 CB ALA A 79 18.243 0.824 6.648 1.00 0.67 C ATOM 0 H ALA A 79 16.775 0.085 4.827 1.00 0.38 H new ATOM 0 HA ALA A 79 16.432 1.925 6.909 1.00 0.50 H new ATOM 0 HB1 ALA A 79 18.770 1.346 7.446 1.00 0.67 H new ATOM 0 HB2 ALA A 79 17.813 -0.098 7.040 1.00 0.67 H new ATOM 0 HB3 ALA A 79 18.943 0.586 5.847 1.00 0.67 H new ATOM 478 N ASP A 80 18.035 3.056 4.320 1.00 0.53 N ATOM 479 CA ASP A 80 18.571 4.253 3.692 1.00 0.57 C ATOM 480 C ASP A 80 17.467 5.280 3.494 1.00 0.52 C ATOM 481 O ASP A 80 17.723 6.466 3.298 1.00 0.57 O ATOM 482 CB ASP A 80 19.200 3.894 2.346 1.00 0.65 C ATOM 483 CG ASP A 80 19.913 5.057 1.684 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.043 5.377 2.098 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.331 5.675 0.768 1.00 1.46 O ATOM 0 H ASP A 80 17.923 2.264 3.687 1.00 0.53 H new ATOM 0 HA ASP A 80 19.336 4.681 4.340 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.908 3.078 2.491 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.422 3.526 1.677 1.00 0.65 H new ATOM 490 N HIS A 81 16.233 4.810 3.566 1.00 0.43 N ATOM 491 CA HIS A 81 15.070 5.677 3.404 1.00 0.38 C ATOM 492 C HIS A 81 13.973 5.332 4.394 1.00 0.29 C ATOM 493 O HIS A 81 12.895 4.891 4.004 1.00 0.23 O ATOM 494 CB HIS A 81 14.523 5.614 1.974 1.00 0.41 C ATOM 495 CG HIS A 81 15.305 6.463 1.018 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.995 7.779 0.742 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.400 6.175 0.278 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.866 8.256 -0.128 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.730 7.308 -0.425 1.00 0.86 N ATOM 0 H HIS A 81 16.007 3.830 3.736 1.00 0.43 H new ATOM 0 HA HIS A 81 15.404 6.695 3.604 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.536 4.580 1.630 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.482 5.937 1.973 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.217 8.300 1.146 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.919 5.229 0.246 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.869 9.258 -0.530 1.00 1.08 H new ATOM 508 N PRO A 82 14.223 5.558 5.694 1.00 0.32 N ATOM 509 CA PRO A 82 13.233 5.308 6.741 1.00 0.29 C ATOM 510 C PRO A 82 12.053 6.266 6.636 1.00 0.26 C ATOM 511 O PRO A 82 11.080 6.160 7.376 1.00 0.29 O ATOM 512 CB PRO A 82 14.008 5.538 8.036 1.00 0.38 C ATOM 513 CG PRO A 82 15.170 6.387 7.669 1.00 0.44 C ATOM 514 CD PRO A 82 15.492 6.067 6.241 1.00 0.41 C ATOM 0 HA PRO A 82 12.802 4.309 6.674 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.385 6.030 8.782 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.336 4.593 8.468 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.931 7.444 7.786 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.023 6.179 8.316 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.833 6.950 5.701 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.285 5.323 6.168 1.00 0.41 H new ATOM 522 N GLU A 83 12.167 7.205 5.704 1.00 0.23 N ATOM 523 CA GLU A 83 11.113 8.162 5.409 1.00 0.21 C ATOM 524 C GLU A 83 10.080 7.543 4.467 1.00 0.17 C ATOM 525 O GLU A 83 8.959 8.038 4.337 1.00 0.18 O ATOM 526 CB GLU A 83 11.719 9.387 4.745 1.00 0.28 C ATOM 527 CG GLU A 83 11.897 9.196 3.259 1.00 0.46 C ATOM 528 CD GLU A 83 12.671 10.312 2.601 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.239 11.478 2.711 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.725 10.032 1.995 1.00 0.95 O ATOM 0 H GLU A 83 13.001 7.323 5.129 1.00 0.23 H new ATOM 0 HA GLU A 83 10.622 8.443 6.341 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.079 10.251 4.925 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.685 9.605 5.200 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.412 8.252 3.080 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.916 9.118 2.790 1.00 0.46 H new ATOM 537 N VAL A 84 10.490 6.475 3.798 1.00 0.15 N ATOM 538 CA VAL A 84 9.665 5.796 2.818 1.00 0.14 C ATOM 539 C VAL A 84 8.436 5.178 3.463 1.00 0.11 C ATOM 540 O VAL A 84 7.360 5.176 2.881 1.00 0.11 O ATOM 541 CB VAL A 84 10.521 4.753 2.066 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.771 3.489 1.757 1.00 0.16 C ATOM 543 CG2 VAL A 84 11.081 5.358 0.796 1.00 0.21 C ATOM 0 H VAL A 84 11.411 6.055 3.923 1.00 0.15 H new ATOM 0 HA VAL A 84 9.294 6.521 2.093 1.00 0.14 H new ATOM 0 HB VAL A 84 11.338 4.474 2.732 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.427 2.797 1.228 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.433 3.030 2.686 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.909 3.721 1.132 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.683 4.615 0.273 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.261 5.678 0.153 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.703 6.218 1.046 1.00 0.21 H new ATOM 553 N VAL A 85 8.603 4.677 4.670 1.00 0.09 N ATOM 554 CA VAL A 85 7.492 4.158 5.435 1.00 0.09 C ATOM 555 C VAL A 85 6.472 5.247 5.772 1.00 0.10 C ATOM 556 O VAL A 85 5.301 5.085 5.495 1.00 0.10 O ATOM 557 CB VAL A 85 7.993 3.450 6.691 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.849 3.161 7.635 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.727 2.190 6.280 1.00 0.11 C ATOM 0 H VAL A 85 9.505 4.619 5.143 1.00 0.09 H new ATOM 0 HA VAL A 85 6.974 3.426 4.816 1.00 0.09 H new ATOM 0 HB VAL A 85 8.686 4.095 7.232 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.229 2.656 8.523 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.372 4.097 7.926 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.120 2.521 7.138 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.090 1.674 7.169 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.048 1.536 5.733 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.571 2.452 5.642 1.00 0.11 H new ATOM 569 N PRO A 86 6.896 6.351 6.396 1.00 0.12 N ATOM 570 CA PRO A 86 6.050 7.534 6.571 1.00 0.14 C ATOM 571 C PRO A 86 5.377 7.974 5.261 1.00 0.14 C ATOM 572 O PRO A 86 4.187 8.254 5.238 1.00 0.18 O ATOM 573 CB PRO A 86 7.013 8.616 7.051 1.00 0.18 C ATOM 574 CG PRO A 86 8.258 7.919 7.487 1.00 0.18 C ATOM 575 CD PRO A 86 8.190 6.487 7.045 1.00 0.14 C ATOM 0 HA PRO A 86 5.234 7.335 7.266 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.227 9.326 6.252 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.579 9.183 7.874 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.133 8.406 7.057 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.362 7.975 8.571 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.002 6.247 6.359 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.279 5.808 7.893 1.00 0.14 H new ATOM 583 N PHE A 87 6.156 8.022 4.182 1.00 0.13 N ATOM 584 CA PHE A 87 5.659 8.339 2.843 1.00 0.14 C ATOM 585 C PHE A 87 4.600 7.324 2.420 1.00 0.12 C ATOM 586 O PHE A 87 3.592 7.669 1.796 1.00 0.12 O ATOM 587 CB PHE A 87 6.842 8.314 1.862 1.00 0.18 C ATOM 588 CG PHE A 87 6.550 8.783 0.461 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.321 9.316 0.127 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.527 8.703 -0.517 1.00 0.85 C ATOM 591 CE1 PHE A 87 5.065 9.762 -1.153 1.00 0.43 C ATOM 592 CE2 PHE A 87 7.279 9.141 -1.803 1.00 1.01 C ATOM 593 CZ PHE A 87 6.046 9.674 -2.121 1.00 0.69 C ATOM 0 H PHE A 87 7.159 7.840 4.212 1.00 0.13 H new ATOM 0 HA PHE A 87 5.201 9.328 2.843 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.641 8.933 2.272 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.223 7.294 1.810 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.549 9.385 0.879 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.495 8.293 -0.271 1.00 0.85 H new ATOM 0 HE1 PHE A 87 4.099 10.179 -1.398 1.00 0.43 H new ATOM 0 HE2 PHE A 87 8.048 9.067 -2.558 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.849 10.021 -3.124 1.00 0.69 H new ATOM 603 N LEU A 88 4.813 6.088 2.819 1.00 0.10 N ATOM 604 CA LEU A 88 3.912 5.010 2.497 1.00 0.09 C ATOM 605 C LEU A 88 2.675 5.152 3.340 1.00 0.08 C ATOM 606 O LEU A 88 1.542 5.108 2.855 1.00 0.09 O ATOM 607 CB LEU A 88 4.578 3.685 2.826 1.00 0.09 C ATOM 608 CG LEU A 88 5.083 2.893 1.641 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.893 1.714 2.117 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.926 2.418 0.797 1.00 0.10 C ATOM 0 H LEU A 88 5.619 5.805 3.377 1.00 0.10 H new ATOM 0 HA LEU A 88 3.657 5.042 1.438 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.417 3.877 3.495 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.867 3.068 3.375 1.00 0.09 H new ATOM 0 HG LEU A 88 5.717 3.538 1.033 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.253 1.149 1.257 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.743 2.068 2.700 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.269 1.071 2.738 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.305 1.849 -0.052 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.274 1.783 1.397 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.362 3.278 0.436 1.00 0.10 H new ATOM 622 N TYR A 89 2.936 5.333 4.623 1.00 0.08 N ATOM 623 CA TYR A 89 1.928 5.454 5.628 1.00 0.09 C ATOM 624 C TYR A 89 0.998 6.586 5.282 1.00 0.09 C ATOM 625 O TYR A 89 -0.207 6.433 5.267 1.00 0.11 O ATOM 626 CB TYR A 89 2.594 5.756 6.966 1.00 0.10 C ATOM 627 CG TYR A 89 2.239 4.778 8.028 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.942 4.366 8.148 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.186 4.268 8.896 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.566 3.469 9.102 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.832 3.361 9.866 1.00 0.20 C ATOM 632 CZ TYR A 89 1.513 2.957 9.967 1.00 0.22 C ATOM 633 OH TYR A 89 1.135 2.048 10.929 1.00 0.27 O ATOM 0 H TYR A 89 3.885 5.400 4.991 1.00 0.08 H new ATOM 0 HA TYR A 89 1.364 4.523 5.688 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.676 5.762 6.833 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.307 6.756 7.291 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.198 4.760 7.471 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.215 4.586 8.811 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.466 3.160 9.181 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.576 2.968 10.543 1.00 0.20 H new ATOM 0 HH TYR A 89 1.918 1.784 11.455 1.00 0.27 H new ATOM 643 N ASN A 90 1.611 7.714 4.992 1.00 0.09 N ATOM 644 CA ASN A 90 0.935 8.913 4.548 1.00 0.09 C ATOM 645 C ASN A 90 -0.020 8.617 3.418 1.00 0.09 C ATOM 646 O ASN A 90 -1.213 8.855 3.545 1.00 0.10 O ATOM 647 CB ASN A 90 2.001 9.879 4.084 1.00 0.11 C ATOM 648 CG ASN A 90 1.477 11.017 3.268 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.478 11.652 3.598 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.135 11.231 2.157 1.00 0.40 N ATOM 0 H ASN A 90 2.623 7.824 5.061 1.00 0.09 H new ATOM 0 HA ASN A 90 0.347 9.334 5.364 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.519 10.279 4.956 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.740 9.334 3.496 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.824 11.958 1.512 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.959 10.671 1.936 1.00 0.40 H new ATOM 657 N ARG A 91 0.506 8.079 2.326 1.00 0.08 N ATOM 658 CA ARG A 91 -0.309 7.746 1.168 1.00 0.10 C ATOM 659 C ARG A 91 -1.501 6.884 1.566 1.00 0.09 C ATOM 660 O ARG A 91 -2.618 7.103 1.107 1.00 0.11 O ATOM 661 CB ARG A 91 0.534 7.016 0.122 1.00 0.13 C ATOM 662 CG ARG A 91 1.444 7.924 -0.679 1.00 0.16 C ATOM 663 CD ARG A 91 0.642 8.926 -1.487 1.00 0.29 C ATOM 664 NE ARG A 91 1.502 9.894 -2.165 1.00 0.88 N ATOM 665 CZ ARG A 91 1.141 11.144 -2.445 1.00 1.05 C ATOM 666 NH1 ARG A 91 -0.093 11.555 -2.192 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.003 11.967 -3.020 1.00 1.64 N ATOM 0 H ARG A 91 1.497 7.864 2.219 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.685 8.676 0.742 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.140 6.260 0.622 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.131 6.490 -0.563 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.120 8.452 -0.006 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.063 7.326 -1.347 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.039 8.397 -2.225 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.049 9.453 -0.829 1.00 0.29 H new ATOM 0 HE ARG A 91 2.437 9.593 -2.441 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.770 10.913 -1.781 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.366 12.514 -2.408 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.943 11.643 -3.248 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.728 12.925 -3.235 1.00 1.64 H new ATOM 681 N GLN A 92 -1.251 5.920 2.429 1.00 0.09 N ATOM 682 CA GLN A 92 -2.284 5.001 2.875 1.00 0.12 C ATOM 683 C GLN A 92 -3.256 5.699 3.824 1.00 0.11 C ATOM 684 O GLN A 92 -4.470 5.535 3.726 1.00 0.13 O ATOM 685 CB GLN A 92 -1.620 3.809 3.553 1.00 0.18 C ATOM 686 CG GLN A 92 -2.434 2.537 3.497 1.00 0.35 C ATOM 687 CD GLN A 92 -3.293 2.316 4.722 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.720 3.253 5.394 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.536 1.060 5.021 1.00 0.36 N ATOM 0 H GLN A 92 -0.333 5.750 2.840 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.860 4.654 2.017 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.653 3.630 3.084 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.427 4.059 4.596 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.073 2.563 2.615 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.760 1.689 3.378 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.161 0.314 4.435 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.100 0.830 5.840 1.00 0.36 H new ATOM 698 N GLN A 93 -2.702 6.494 4.721 1.00 0.12 N ATOM 699 CA GLN A 93 -3.480 7.245 5.693 1.00 0.14 C ATOM 700 C GLN A 93 -4.399 8.242 4.996 1.00 0.16 C ATOM 701 O GLN A 93 -5.533 8.466 5.422 1.00 0.20 O ATOM 702 CB GLN A 93 -2.547 7.983 6.664 1.00 0.15 C ATOM 703 CG GLN A 93 -1.876 7.078 7.683 1.00 0.15 C ATOM 704 CD GLN A 93 -2.850 6.190 8.421 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.407 6.567 9.454 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.043 4.992 7.899 1.00 0.22 N ATOM 0 H GLN A 93 -1.695 6.639 4.797 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.095 6.541 6.255 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.778 8.500 6.090 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.119 8.746 7.192 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.138 6.456 7.177 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.335 7.691 8.404 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.559 4.725 7.042 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.676 4.334 8.353 1.00 0.22 H new ATOM 715 N ARG A 94 -3.909 8.826 3.910 1.00 0.14 N ATOM 716 CA ARG A 94 -4.666 9.815 3.162 1.00 0.15 C ATOM 717 C ARG A 94 -5.537 9.155 2.101 1.00 0.14 C ATOM 718 O ARG A 94 -6.353 9.809 1.454 1.00 0.19 O ATOM 719 CB ARG A 94 -3.708 10.812 2.528 1.00 0.21 C ATOM 720 CG ARG A 94 -2.794 10.199 1.497 1.00 0.76 C ATOM 721 CD ARG A 94 -1.544 11.037 1.298 1.00 0.64 C ATOM 722 NE ARG A 94 -1.848 12.322 0.657 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.239 13.475 0.936 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.357 13.554 1.923 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.545 14.564 0.236 1.00 1.40 N ATOM 0 H ARG A 94 -2.984 8.628 3.528 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.330 10.341 3.848 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.284 11.611 2.061 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.104 11.270 3.311 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.514 9.193 1.809 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.324 10.103 0.550 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.068 11.215 2.262 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.830 10.485 0.687 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.579 12.334 -0.054 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.138 12.727 2.478 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.102 14.442 2.127 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.241 14.513 -0.508 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.084 15.450 0.443 1.00 1.40 H new ATOM 739 N ALA A 95 -5.376 7.854 1.942 1.00 0.12 N ATOM 740 CA ALA A 95 -6.149 7.104 0.956 1.00 0.12 C ATOM 741 C ALA A 95 -7.586 6.944 1.422 1.00 0.13 C ATOM 742 O ALA A 95 -7.919 7.247 2.572 1.00 0.17 O ATOM 743 CB ALA A 95 -5.532 5.735 0.692 1.00 0.13 C ATOM 0 H ALA A 95 -4.718 7.290 2.481 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.135 7.668 0.024 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.131 5.202 -0.046 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.517 5.860 0.314 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.506 5.163 1.619 1.00 0.13 H new ATOM 749 N HIS A 96 -8.438 6.483 0.524 1.00 0.12 N ATOM 750 CA HIS A 96 -9.849 6.317 0.820 1.00 0.13 C ATOM 751 C HIS A 96 -10.075 5.059 1.632 1.00 0.13 C ATOM 752 O HIS A 96 -9.668 3.981 1.226 1.00 0.12 O ATOM 753 CB HIS A 96 -10.639 6.230 -0.481 1.00 0.14 C ATOM 754 CG HIS A 96 -12.068 6.634 -0.330 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.895 6.010 0.566 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.755 7.617 -0.958 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.057 6.623 0.471 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.023 7.604 -0.438 1.00 0.25 N ATOM 0 H HIS A 96 -8.174 6.215 -0.424 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.188 7.176 1.399 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.166 6.866 -1.229 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.595 5.208 -0.857 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.377 8.282 -1.720 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.929 6.366 1.054 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.792 8.223 -0.695 1.00 0.25 H new ATOM 766 N SER A 97 -10.718 5.212 2.786 1.00 0.16 N ATOM 767 CA SER A 97 -11.052 4.084 3.647 1.00 0.20 C ATOM 768 C SER A 97 -11.836 3.009 2.898 1.00 0.18 C ATOM 769 O SER A 97 -11.666 1.821 3.165 1.00 0.18 O ATOM 770 CB SER A 97 -11.832 4.575 4.864 1.00 0.29 C ATOM 771 OG SER A 97 -12.819 5.520 4.484 1.00 1.32 O ATOM 0 H SER A 97 -11.020 6.116 3.148 1.00 0.16 H new ATOM 0 HA SER A 97 -10.121 3.626 3.980 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.305 3.729 5.363 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.147 5.027 5.582 1.00 0.29 H new ATOM 0 HG SER A 97 -13.308 5.820 5.279 1.00 1.32 H new ATOM 777 N LEU A 98 -12.698 3.420 1.969 1.00 0.18 N ATOM 778 CA LEU A 98 -13.390 2.480 1.098 1.00 0.18 C ATOM 779 C LEU A 98 -12.426 1.745 0.199 1.00 0.15 C ATOM 780 O LEU A 98 -12.591 0.565 -0.067 1.00 0.18 O ATOM 781 CB LEU A 98 -14.387 3.209 0.223 1.00 0.21 C ATOM 782 CG LEU A 98 -15.705 3.560 0.889 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.656 4.122 -0.146 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.308 2.344 1.576 1.00 0.61 C ATOM 0 H LEU A 98 -12.932 4.399 1.803 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.900 1.764 1.742 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.925 4.129 -0.136 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.595 2.593 -0.652 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.526 4.314 1.656 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.604 4.375 0.330 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.222 5.018 -0.590 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.828 3.378 -0.924 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.252 2.622 2.045 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.486 1.561 0.839 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.619 1.977 2.336 1.00 0.61 H new ATOM 796 N PHE A 99 -11.443 2.469 -0.291 1.00 0.12 N ATOM 797 CA PHE A 99 -10.404 1.882 -1.128 1.00 0.11 C ATOM 798 C PHE A 99 -9.512 0.970 -0.293 1.00 0.11 C ATOM 799 O PHE A 99 -9.121 -0.112 -0.730 1.00 0.12 O ATOM 800 CB PHE A 99 -9.562 2.968 -1.798 1.00 0.12 C ATOM 801 CG PHE A 99 -8.336 2.428 -2.466 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.451 1.529 -3.506 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.073 2.813 -2.049 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.329 1.020 -4.127 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.947 2.309 -2.664 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.074 1.411 -3.704 1.00 0.18 C ATOM 0 H PHE A 99 -11.336 3.470 -0.127 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.887 1.294 -1.909 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.172 3.489 -2.536 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.267 3.705 -1.051 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.431 1.220 -3.838 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.969 3.515 -1.234 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.432 0.318 -4.941 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.966 2.617 -2.332 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.193 1.014 -4.187 1.00 0.18 H new ATOM 816 N LEU A 100 -9.217 1.413 0.914 1.00 0.12 N ATOM 817 CA LEU A 100 -8.416 0.646 1.852 1.00 0.14 C ATOM 818 C LEU A 100 -9.153 -0.615 2.266 1.00 0.16 C ATOM 819 O LEU A 100 -8.557 -1.567 2.755 1.00 0.21 O ATOM 820 CB LEU A 100 -8.094 1.504 3.068 1.00 0.17 C ATOM 821 CG LEU A 100 -7.362 2.798 2.747 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.496 3.778 3.893 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.909 2.504 2.457 1.00 0.22 C ATOM 0 H LEU A 100 -9.526 2.316 1.274 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.483 0.351 1.371 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -9.023 1.745 3.584 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.487 0.919 3.760 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.809 3.252 1.862 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.967 4.699 3.648 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.550 3.999 4.061 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.068 3.343 4.796 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.388 3.434 2.228 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.451 2.037 3.329 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.838 1.828 1.605 1.00 0.22 H new ATOM 835 N ALA A 101 -10.461 -0.612 2.075 1.00 0.16 N ATOM 836 CA ALA A 101 -11.253 -1.813 2.245 1.00 0.19 C ATOM 837 C ALA A 101 -11.945 -2.161 0.945 1.00 0.21 C ATOM 838 O ALA A 101 -13.083 -2.627 0.931 1.00 0.37 O ATOM 839 CB ALA A 101 -12.276 -1.657 3.351 1.00 0.23 C ATOM 0 H ALA A 101 -10.996 0.212 1.801 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.579 -2.621 2.528 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.850 -2.578 3.448 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.766 -1.446 4.291 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.949 -0.834 3.111 1.00 0.23 H new ATOM 845 N SER A 102 -11.291 -1.853 -0.152 1.00 0.13 N ATOM 846 CA SER A 102 -11.739 -2.343 -1.432 1.00 0.15 C ATOM 847 C SER A 102 -10.794 -3.421 -1.927 1.00 0.17 C ATOM 848 O SER A 102 -9.598 -3.423 -1.613 1.00 0.25 O ATOM 849 CB SER A 102 -11.845 -1.204 -2.445 1.00 0.18 C ATOM 850 OG SER A 102 -10.569 -0.746 -2.854 1.00 1.40 O ATOM 0 H SER A 102 -10.454 -1.270 -0.183 1.00 0.13 H new ATOM 0 HA SER A 102 -12.733 -2.774 -1.315 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.406 -1.543 -3.316 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.405 -0.378 -2.006 1.00 0.18 H new ATOM 0 HG SER A 102 -9.937 -0.830 -2.110 1.00 1.40 H new ATOM 856 N ALA A 103 -11.359 -4.345 -2.689 1.00 0.20 N ATOM 857 CA ALA A 103 -10.630 -5.482 -3.235 1.00 0.21 C ATOM 858 C ALA A 103 -9.390 -5.050 -4.003 1.00 0.18 C ATOM 859 O ALA A 103 -8.389 -5.763 -4.027 1.00 0.19 O ATOM 860 CB ALA A 103 -11.545 -6.265 -4.148 1.00 0.27 C ATOM 0 H ALA A 103 -12.345 -4.328 -2.949 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.300 -6.102 -2.402 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.005 -7.118 -4.560 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.407 -6.620 -3.582 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.884 -5.623 -4.961 1.00 0.27 H new ATOM 866 N GLU A 104 -9.473 -3.892 -4.643 1.00 0.17 N ATOM 867 CA GLU A 104 -8.368 -3.368 -5.426 1.00 0.17 C ATOM 868 C GLU A 104 -7.103 -3.212 -4.589 1.00 0.14 C ATOM 869 O GLU A 104 -6.021 -3.581 -5.035 1.00 0.14 O ATOM 870 CB GLU A 104 -8.737 -2.032 -6.025 1.00 0.22 C ATOM 871 CG GLU A 104 -7.836 -1.622 -7.168 1.00 0.30 C ATOM 872 CD GLU A 104 -7.950 -2.545 -8.365 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.068 -3.031 -8.644 1.00 1.29 O ATOM 874 OE2 GLU A 104 -6.921 -2.793 -9.025 1.00 1.70 O ATOM 0 H GLU A 104 -10.301 -3.296 -4.633 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.166 -4.087 -6.220 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.767 -2.072 -6.379 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.697 -1.269 -5.248 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -8.084 -0.606 -7.474 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -6.802 -1.608 -6.823 1.00 0.30 H new ATOM 881 N PHE A 105 -7.221 -2.676 -3.373 1.00 0.13 N ATOM 882 CA PHE A 105 -6.047 -2.465 -2.544 1.00 0.13 C ATOM 883 C PHE A 105 -5.485 -3.808 -2.115 1.00 0.12 C ATOM 884 O PHE A 105 -4.277 -3.975 -2.035 1.00 0.13 O ATOM 885 CB PHE A 105 -6.377 -1.604 -1.315 1.00 0.13 C ATOM 886 CG PHE A 105 -5.152 -1.111 -0.594 1.00 0.12 C ATOM 887 CD1 PHE A 105 -4.022 -0.780 -1.316 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.125 -0.970 0.790 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.886 -0.316 -0.684 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.988 -0.505 1.426 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.868 -0.177 0.685 1.00 0.14 C ATOM 0 H PHE A 105 -8.104 -2.387 -2.951 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.301 -1.928 -3.129 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.976 -0.749 -1.628 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.988 -2.186 -0.625 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -4.027 -0.886 -2.391 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.998 -1.225 1.372 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -2.011 -0.062 -1.264 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.975 -0.398 2.501 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.980 0.188 1.180 1.00 0.14 H new ATOM 901 N CYS A 106 -6.371 -4.768 -1.873 1.00 0.13 N ATOM 902 CA CYS A 106 -5.956 -6.131 -1.561 1.00 0.15 C ATOM 903 C CYS A 106 -5.161 -6.690 -2.730 1.00 0.15 C ATOM 904 O CYS A 106 -4.086 -7.263 -2.558 1.00 0.16 O ATOM 905 CB CYS A 106 -7.186 -7.007 -1.273 1.00 0.19 C ATOM 906 SG CYS A 106 -6.820 -8.764 -1.043 1.00 0.29 S ATOM 0 H CYS A 106 -7.381 -4.628 -1.887 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.327 -6.128 -0.671 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.681 -6.632 -0.377 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.892 -6.901 -2.096 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.559 -8.992 0.210 1.00 0.29 H new ATOM 912 N ASN A 107 -5.713 -6.491 -3.917 1.00 0.14 N ATOM 913 CA ASN A 107 -5.076 -6.871 -5.175 1.00 0.16 C ATOM 914 C ASN A 107 -3.679 -6.282 -5.274 1.00 0.15 C ATOM 915 O ASN A 107 -2.687 -6.995 -5.421 1.00 0.17 O ATOM 916 CB ASN A 107 -5.910 -6.337 -6.340 1.00 0.18 C ATOM 917 CG ASN A 107 -6.116 -7.362 -7.438 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.270 -8.225 -7.668 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.243 -7.268 -8.127 1.00 0.34 N ATOM 0 H ASN A 107 -6.627 -6.056 -4.039 1.00 0.14 H new ATOM 0 HA ASN A 107 -5.008 -7.958 -5.212 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.881 -6.013 -5.966 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.420 -5.458 -6.758 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.436 -7.927 -8.881 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.918 -6.537 -7.903 1.00 0.34 H new ATOM 926 N ILE A 108 -3.629 -4.969 -5.151 1.00 0.13 N ATOM 927 CA ILE A 108 -2.408 -4.199 -5.295 1.00 0.13 C ATOM 928 C ILE A 108 -1.394 -4.587 -4.229 1.00 0.11 C ATOM 929 O ILE A 108 -0.212 -4.776 -4.512 1.00 0.12 O ATOM 930 CB ILE A 108 -2.763 -2.705 -5.182 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.544 -2.270 -6.423 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.531 -1.841 -4.975 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.345 -1.005 -6.221 1.00 0.17 C ATOM 0 H ILE A 108 -4.449 -4.398 -4.945 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.957 -4.404 -6.266 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.389 -2.567 -4.300 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.846 -2.121 -7.247 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.218 -3.074 -6.718 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.828 -0.795 -4.901 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.026 -2.141 -4.057 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.853 -1.966 -5.819 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.872 -0.757 -7.142 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.067 -1.156 -5.419 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.674 -0.188 -5.956 1.00 0.17 H new ATOM 945 N LEU A 109 -1.887 -4.718 -3.014 1.00 0.09 N ATOM 946 CA LEU A 109 -1.073 -5.077 -1.869 1.00 0.08 C ATOM 947 C LEU A 109 -0.488 -6.466 -1.999 1.00 0.09 C ATOM 948 O LEU A 109 0.721 -6.654 -1.874 1.00 0.10 O ATOM 949 CB LEU A 109 -1.915 -4.982 -0.619 1.00 0.08 C ATOM 950 CG LEU A 109 -1.848 -3.627 0.055 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.778 -3.587 1.230 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.434 -3.327 0.496 1.00 0.07 C ATOM 0 H LEU A 109 -2.872 -4.577 -2.791 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.235 -4.382 -1.814 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.952 -5.202 -0.872 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.590 -5.746 0.087 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.156 -2.866 -0.662 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.721 -2.608 1.706 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.799 -3.767 0.893 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.492 -4.356 1.947 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.403 -2.350 0.978 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.103 -4.090 1.200 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.225 -3.324 -0.372 1.00 0.07 H new ATOM 964 N SER A 110 -1.347 -7.431 -2.251 1.00 0.10 N ATOM 965 CA SER A 110 -0.919 -8.806 -2.429 1.00 0.12 C ATOM 966 C SER A 110 0.111 -8.887 -3.549 1.00 0.12 C ATOM 967 O SER A 110 1.081 -9.640 -3.464 1.00 0.14 O ATOM 968 CB SER A 110 -2.122 -9.700 -2.719 1.00 0.15 C ATOM 969 OG SER A 110 -1.731 -11.038 -2.983 1.00 1.15 O ATOM 0 H SER A 110 -2.353 -7.289 -2.338 1.00 0.10 H new ATOM 0 HA SER A 110 -0.453 -9.160 -1.510 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.803 -9.681 -1.868 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.670 -9.306 -3.575 1.00 0.15 H new ATOM 0 HG SER A 110 -2.526 -11.582 -3.163 1.00 1.15 H new ATOM 975 N ARG A 111 -0.105 -8.085 -4.588 1.00 0.11 N ATOM 976 CA ARG A 111 0.839 -7.966 -5.683 1.00 0.12 C ATOM 977 C ARG A 111 2.191 -7.494 -5.189 1.00 0.11 C ATOM 978 O ARG A 111 3.193 -8.190 -5.332 1.00 0.13 O ATOM 979 CB ARG A 111 0.325 -6.963 -6.708 1.00 0.16 C ATOM 980 CG ARG A 111 -0.710 -7.517 -7.651 1.00 0.26 C ATOM 981 CD ARG A 111 -1.080 -6.490 -8.705 1.00 0.99 C ATOM 982 NE ARG A 111 -2.148 -6.941 -9.594 1.00 1.81 N ATOM 983 CZ ARG A 111 -2.684 -6.179 -10.547 1.00 2.57 C ATOM 984 NH1 ARG A 111 -2.227 -4.945 -10.747 1.00 2.67 N ATOM 985 NH2 ARG A 111 -3.668 -6.649 -11.304 1.00 3.55 N ATOM 0 H ARG A 111 -0.937 -7.504 -4.690 1.00 0.11 H new ATOM 0 HA ARG A 111 0.945 -8.952 -6.136 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.100 -6.109 -6.182 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.168 -6.591 -7.290 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.326 -8.417 -8.132 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.599 -7.809 -7.092 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.390 -5.568 -8.213 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.197 -6.253 -9.299 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.503 -7.890 -9.479 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.467 -4.583 -10.171 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -2.637 -4.361 -11.476 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.016 -7.596 -11.157 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.076 -6.063 -12.032 1.00 3.55 H new ATOM 999 N VAL A 112 2.207 -6.323 -4.572 1.00 0.10 N ATOM 1000 CA VAL A 112 3.464 -5.677 -4.223 1.00 0.10 C ATOM 1001 C VAL A 112 4.204 -6.422 -3.141 1.00 0.11 C ATOM 1002 O VAL A 112 5.396 -6.589 -3.245 1.00 0.12 O ATOM 1003 CB VAL A 112 3.309 -4.205 -3.791 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.084 -3.325 -4.993 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.188 -4.027 -2.797 1.00 0.10 C ATOM 0 H VAL A 112 1.371 -5.803 -4.304 1.00 0.10 H new ATOM 0 HA VAL A 112 4.041 -5.697 -5.147 1.00 0.10 H new ATOM 0 HB VAL A 112 4.236 -3.909 -3.300 1.00 0.10 H new ATOM 0 HG11 VAL A 112 2.977 -2.289 -4.671 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.935 -3.408 -5.669 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.178 -3.640 -5.510 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.112 -2.976 -2.518 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.249 -4.352 -3.245 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.392 -4.624 -1.908 1.00 0.10 H new ATOM 1015 N LEU A 113 3.502 -6.866 -2.114 1.00 0.10 N ATOM 1016 CA LEU A 113 4.125 -7.621 -1.035 1.00 0.11 C ATOM 1017 C LEU A 113 4.831 -8.853 -1.567 1.00 0.12 C ATOM 1018 O LEU A 113 6.013 -9.075 -1.310 1.00 0.14 O ATOM 1019 CB LEU A 113 3.073 -8.029 -0.025 1.00 0.11 C ATOM 1020 CG LEU A 113 2.958 -7.072 1.140 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.594 -6.421 1.163 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.253 -7.786 2.439 1.00 0.28 C ATOM 0 H LEU A 113 2.499 -6.718 -2.002 1.00 0.10 H new ATOM 0 HA LEU A 113 4.868 -6.984 -0.555 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.107 -8.099 -0.525 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.309 -9.024 0.353 1.00 0.11 H new ATOM 0 HG LEU A 113 3.698 -6.281 1.018 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.532 -5.736 2.009 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.439 -5.868 0.236 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.826 -7.188 1.260 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.166 -7.084 3.268 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.541 -8.600 2.577 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.265 -8.190 2.410 1.00 0.28 H new ATOM 1034 N SER A 114 4.085 -9.632 -2.315 1.00 0.13 N ATOM 1035 CA SER A 114 4.600 -10.841 -2.949 1.00 0.15 C ATOM 1036 C SER A 114 5.816 -10.515 -3.807 1.00 0.15 C ATOM 1037 O SER A 114 6.862 -11.163 -3.701 1.00 0.17 O ATOM 1038 CB SER A 114 3.505 -11.493 -3.802 1.00 0.17 C ATOM 1039 OG SER A 114 3.961 -12.685 -4.418 1.00 1.00 O ATOM 0 H SER A 114 3.100 -9.452 -2.507 1.00 0.13 H new ATOM 0 HA SER A 114 4.905 -11.542 -2.172 1.00 0.15 H new ATOM 0 HB2 SER A 114 2.640 -11.714 -3.177 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.174 -10.791 -4.568 1.00 0.17 H new ATOM 0 HG SER A 114 3.238 -13.075 -4.952 1.00 1.00 H new ATOM 1045 N ARG A 115 5.681 -9.481 -4.625 1.00 0.13 N ATOM 1046 CA ARG A 115 6.758 -9.038 -5.488 1.00 0.14 C ATOM 1047 C ARG A 115 7.911 -8.477 -4.664 1.00 0.14 C ATOM 1048 O ARG A 115 9.064 -8.622 -5.024 1.00 0.18 O ATOM 1049 CB ARG A 115 6.243 -7.966 -6.445 1.00 0.17 C ATOM 1050 CG ARG A 115 5.242 -8.471 -7.466 1.00 0.24 C ATOM 1051 CD ARG A 115 4.613 -7.314 -8.223 1.00 0.35 C ATOM 1052 NE ARG A 115 3.723 -7.761 -9.294 1.00 0.84 N ATOM 1053 CZ ARG A 115 2.880 -6.963 -9.953 1.00 1.19 C ATOM 1054 NH1 ARG A 115 2.764 -5.681 -9.615 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.147 -7.447 -10.945 1.00 1.83 N ATOM 0 H ARG A 115 4.826 -8.931 -4.707 1.00 0.13 H new ATOM 0 HA ARG A 115 7.120 -9.894 -6.058 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.781 -7.168 -5.864 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.091 -7.527 -6.971 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.738 -9.143 -8.166 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.465 -9.049 -6.965 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.053 -6.690 -7.526 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.400 -6.691 -8.646 1.00 0.35 H new ATOM 0 HE ARG A 115 3.748 -8.747 -9.554 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.321 -5.303 -8.849 1.00 1.20 H new ATOM 0 HH12 ARG A 115 2.118 -5.076 -10.122 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.227 -8.430 -11.205 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.503 -6.837 -11.448 1.00 1.83 H new ATOM 1069 N ALA A 116 7.573 -7.817 -3.572 1.00 0.13 N ATOM 1070 CA ALA A 116 8.559 -7.162 -2.711 1.00 0.14 C ATOM 1071 C ALA A 116 9.448 -8.167 -1.991 1.00 0.16 C ATOM 1072 O ALA A 116 10.655 -7.972 -1.883 1.00 0.18 O ATOM 1073 CB ALA A 116 7.857 -6.250 -1.721 1.00 0.15 C ATOM 0 H ALA A 116 6.610 -7.716 -3.251 1.00 0.13 H new ATOM 0 HA ALA A 116 9.212 -6.563 -3.346 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.597 -5.766 -1.084 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.293 -5.491 -2.263 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.176 -6.837 -1.105 1.00 0.15 H new ATOM 1079 N ARG A 117 8.853 -9.239 -1.500 1.00 0.19 N ATOM 1080 CA ARG A 117 9.604 -10.283 -0.828 1.00 0.24 C ATOM 1081 C ARG A 117 10.456 -11.063 -1.812 1.00 0.26 C ATOM 1082 O ARG A 117 11.498 -11.615 -1.461 1.00 0.32 O ATOM 1083 CB ARG A 117 8.663 -11.221 -0.104 1.00 0.28 C ATOM 1084 CG ARG A 117 8.343 -10.748 1.289 1.00 0.61 C ATOM 1085 CD ARG A 117 7.274 -9.667 1.324 1.00 0.34 C ATOM 1086 NE ARG A 117 6.246 -9.945 2.328 1.00 1.22 N ATOM 1087 CZ ARG A 117 6.366 -9.676 3.631 1.00 1.38 C ATOM 1088 NH1 ARG A 117 7.502 -9.199 4.121 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.357 -9.911 4.455 1.00 2.33 N ATOM 0 H ARG A 117 7.849 -9.409 -1.554 1.00 0.19 H new ATOM 0 HA ARG A 117 10.266 -9.809 -0.103 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.739 -11.316 -0.674 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.110 -12.214 -0.054 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.012 -11.597 1.887 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.252 -10.366 1.754 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.739 -8.704 1.538 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.809 -9.585 0.342 1.00 0.34 H new ATOM 0 HE ARG A 117 5.377 -10.374 2.011 1.00 1.22 H new ATOM 0 HH11 ARG A 117 8.295 -9.034 3.501 1.00 1.30 H new ATOM 0 HH12 ARG A 117 7.583 -8.997 5.118 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.485 -10.299 4.096 1.00 2.33 H new ATOM 0 HH22 ARG A 117 5.452 -9.705 5.449 1.00 2.33 H new ATOM 1103 N SER A 118 9.994 -11.102 -3.041 1.00 0.26 N ATOM 1104 CA SER A 118 10.683 -11.805 -4.108 1.00 0.31 C ATOM 1105 C SER A 118 11.721 -10.905 -4.760 1.00 0.28 C ATOM 1106 O SER A 118 12.779 -11.358 -5.195 1.00 0.32 O ATOM 1107 CB SER A 118 9.665 -12.249 -5.142 1.00 0.37 C ATOM 1108 OG SER A 118 9.901 -13.580 -5.577 1.00 0.68 O ATOM 0 H SER A 118 9.129 -10.648 -3.333 1.00 0.26 H new ATOM 0 HA SER A 118 11.196 -12.673 -3.693 1.00 0.31 H new ATOM 0 HB2 SER A 118 8.663 -12.177 -4.720 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.699 -11.575 -5.998 1.00 0.37 H new ATOM 0 HG SER A 118 9.225 -13.832 -6.241 1.00 0.68 H new ATOM 1114 N ARG A 119 11.400 -9.631 -4.819 1.00 0.23 N ATOM 1115 CA ARG A 119 12.245 -8.640 -5.440 1.00 0.20 C ATOM 1116 C ARG A 119 12.413 -7.432 -4.545 1.00 0.18 C ATOM 1117 O ARG A 119 11.839 -6.375 -4.800 1.00 0.17 O ATOM 1118 CB ARG A 119 11.629 -8.211 -6.754 1.00 0.25 C ATOM 1119 CG ARG A 119 12.038 -9.071 -7.915 1.00 0.33 C ATOM 1120 CD ARG A 119 13.348 -8.590 -8.508 1.00 0.33 C ATOM 1121 NE ARG A 119 13.829 -9.498 -9.542 1.00 0.55 N ATOM 1122 CZ ARG A 119 14.659 -9.153 -10.524 1.00 0.97 C ATOM 1123 NH1 ARG A 119 15.185 -7.934 -10.570 1.00 1.48 N ATOM 1124 NH2 ARG A 119 14.970 -10.039 -11.458 1.00 1.19 N ATOM 0 H ARG A 119 10.535 -9.252 -4.432 1.00 0.23 H new ATOM 0 HA ARG A 119 13.227 -9.080 -5.611 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.543 -8.232 -6.661 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.912 -7.179 -6.959 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.140 -10.106 -7.588 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.260 -9.053 -8.678 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.214 -7.594 -8.930 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.096 -8.504 -7.720 1.00 0.33 H new ATOM 0 HE ARG A 119 13.507 -10.465 -9.511 1.00 0.55 H new ATOM 0 HH11 ARG A 119 14.954 -7.251 -9.848 1.00 1.48 H new ATOM 0 HH12 ARG A 119 15.820 -7.681 -11.327 1.00 1.48 H new ATOM 0 HH21 ARG A 119 14.574 -10.978 -11.422 1.00 1.19 H new ATOM 0 HH22 ARG A 119 15.605 -9.782 -12.214 1.00 1.19 H new ATOM 1138 N PRO A 120 13.214 -7.571 -3.497 1.00 0.19 N ATOM 1139 CA PRO A 120 13.477 -6.487 -2.554 1.00 0.19 C ATOM 1140 C PRO A 120 14.238 -5.328 -3.199 1.00 0.20 C ATOM 1141 O PRO A 120 14.341 -4.246 -2.624 1.00 0.21 O ATOM 1142 CB PRO A 120 14.307 -7.174 -1.478 1.00 0.23 C ATOM 1143 CG PRO A 120 14.977 -8.277 -2.198 1.00 0.25 C ATOM 1144 CD PRO A 120 13.925 -8.802 -3.119 1.00 0.22 C ATOM 0 HA PRO A 120 12.565 -6.027 -2.173 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.030 -6.490 -1.033 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.681 -7.548 -0.668 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.848 -7.922 -2.749 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.326 -9.048 -1.511 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.354 -9.308 -3.984 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.269 -9.518 -2.624 1.00 0.22 H new ATOM 1152 N ALA A 121 14.757 -5.552 -4.408 1.00 0.20 N ATOM 1153 CA ALA A 121 15.407 -4.478 -5.150 1.00 0.22 C ATOM 1154 C ALA A 121 14.352 -3.606 -5.798 1.00 0.19 C ATOM 1155 O ALA A 121 14.520 -2.401 -5.955 1.00 0.21 O ATOM 1156 CB ALA A 121 16.342 -5.029 -6.208 1.00 0.25 C ATOM 0 H ALA A 121 14.739 -6.453 -4.885 1.00 0.20 H new ATOM 0 HA ALA A 121 16.000 -3.886 -4.453 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.811 -4.204 -6.744 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.111 -5.637 -5.732 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.777 -5.642 -6.909 1.00 0.25 H new ATOM 1162 N LYS A 122 13.256 -4.249 -6.153 1.00 0.16 N ATOM 1163 CA LYS A 122 12.137 -3.581 -6.782 1.00 0.16 C ATOM 1164 C LYS A 122 11.182 -3.024 -5.739 1.00 0.11 C ATOM 1165 O LYS A 122 10.106 -2.551 -6.076 1.00 0.11 O ATOM 1166 CB LYS A 122 11.409 -4.530 -7.717 1.00 0.20 C ATOM 1167 CG LYS A 122 12.275 -4.960 -8.877 1.00 0.27 C ATOM 1168 CD LYS A 122 11.475 -5.138 -10.140 1.00 0.41 C ATOM 1169 CE LYS A 122 10.396 -6.172 -9.956 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.602 -6.397 -11.191 1.00 1.07 N ATOM 0 H LYS A 122 13.118 -5.250 -6.013 1.00 0.16 H new ATOM 0 HA LYS A 122 12.524 -2.747 -7.367 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.086 -5.410 -7.161 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.510 -4.045 -8.097 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.055 -4.217 -9.043 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.775 -5.896 -8.629 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.027 -4.187 -10.427 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.136 -5.438 -10.954 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.849 -7.113 -9.644 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.730 -5.857 -9.153 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.874 -7.117 -11.009 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.145 -5.507 -11.477 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.230 -6.724 -11.953 1.00 1.07 H new ATOM 1184 N LEU A 123 11.559 -3.121 -4.466 1.00 0.10 N ATOM 1185 CA LEU A 123 10.774 -2.557 -3.377 1.00 0.08 C ATOM 1186 C LEU A 123 10.295 -1.142 -3.662 1.00 0.08 C ATOM 1187 O LEU A 123 9.134 -0.844 -3.445 1.00 0.13 O ATOM 1188 CB LEU A 123 11.585 -2.560 -2.099 1.00 0.12 C ATOM 1189 CG LEU A 123 10.847 -2.005 -0.895 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.592 -2.810 -0.627 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.748 -1.984 0.315 1.00 0.23 C ATOM 0 H LEU A 123 12.413 -3.591 -4.164 1.00 0.10 H new ATOM 0 HA LEU A 123 9.890 -3.186 -3.271 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.896 -3.582 -1.881 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.492 -1.977 -2.256 1.00 0.12 H new ATOM 0 HG LEU A 123 10.550 -0.978 -1.110 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.074 -2.399 0.240 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.937 -2.763 -1.497 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.861 -3.848 -0.431 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.202 -1.583 1.169 1.00 0.23 H new ATOM 0 HD22 LEU A 123 12.079 -2.998 0.540 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.615 -1.356 0.112 1.00 0.23 H new ATOM 1203 N TYR A 124 11.166 -0.277 -4.156 1.00 0.11 N ATOM 1204 CA TYR A 124 10.774 1.065 -4.511 1.00 0.10 C ATOM 1205 C TYR A 124 9.725 1.063 -5.590 1.00 0.11 C ATOM 1206 O TYR A 124 8.877 1.930 -5.617 1.00 0.14 O ATOM 1207 CB TYR A 124 11.967 1.845 -4.987 1.00 0.14 C ATOM 1208 CG TYR A 124 12.400 2.849 -3.989 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.299 2.536 -2.664 1.00 0.33 C ATOM 1210 CD2 TYR A 124 12.914 4.078 -4.353 1.00 1.30 C ATOM 1211 CE1 TYR A 124 12.689 3.401 -1.702 1.00 0.74 C ATOM 1212 CE2 TYR A 124 13.313 4.975 -3.393 1.00 1.74 C ATOM 1213 CZ TYR A 124 13.199 4.634 -2.063 1.00 1.45 C ATOM 1214 OH TYR A 124 13.589 5.528 -1.102 1.00 1.89 O ATOM 0 H TYR A 124 12.151 -0.487 -4.318 1.00 0.11 H new ATOM 0 HA TYR A 124 10.357 1.532 -3.619 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.790 1.161 -5.195 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.724 2.345 -5.924 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.898 1.575 -2.378 1.00 0.33 H new ATOM 0 HD2 TYR A 124 13.003 4.335 -5.398 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.603 3.131 -0.660 1.00 0.74 H new ATOM 0 HE2 TYR A 124 13.712 5.937 -3.677 1.00 1.74 H new ATOM 0 HH TYR A 124 13.924 6.343 -1.530 1.00 1.89 H new ATOM 1224 N VAL A 125 9.759 0.077 -6.458 1.00 0.10 N ATOM 1225 CA VAL A 125 8.771 -0.017 -7.510 1.00 0.12 C ATOM 1226 C VAL A 125 7.416 -0.173 -6.864 1.00 0.11 C ATOM 1227 O VAL A 125 6.433 0.446 -7.247 1.00 0.14 O ATOM 1228 CB VAL A 125 9.019 -1.248 -8.385 1.00 0.15 C ATOM 1229 CG1 VAL A 125 7.993 -1.332 -9.480 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.420 -1.243 -8.952 1.00 0.18 C ATOM 0 H VAL A 125 10.456 -0.668 -6.457 1.00 0.10 H new ATOM 0 HA VAL A 125 8.827 0.878 -8.130 1.00 0.12 H new ATOM 0 HB VAL A 125 8.922 -2.134 -7.758 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.185 -2.213 -10.092 1.00 0.20 H new ATOM 0 HG12 VAL A 125 6.998 -1.405 -9.041 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.051 -0.439 -10.102 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.566 -2.130 -9.569 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.563 -0.350 -9.560 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.143 -1.246 -8.136 1.00 0.18 H new ATOM 1240 N TYR A 126 7.430 -1.011 -5.853 1.00 0.07 N ATOM 1241 CA TYR A 126 6.267 -1.370 -5.064 1.00 0.08 C ATOM 1242 C TYR A 126 5.873 -0.233 -4.133 1.00 0.08 C ATOM 1243 O TYR A 126 4.697 0.105 -4.016 1.00 0.10 O ATOM 1244 CB TYR A 126 6.645 -2.623 -4.284 1.00 0.11 C ATOM 1245 CG TYR A 126 7.245 -3.680 -5.170 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.795 -3.868 -6.471 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.278 -4.468 -4.714 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.363 -4.824 -7.286 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.847 -5.428 -5.522 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.389 -5.599 -6.800 1.00 0.28 C ATOM 1251 OH TYR A 126 8.942 -6.573 -7.587 1.00 0.36 O ATOM 0 H TYR A 126 8.281 -1.480 -5.544 1.00 0.07 H new ATOM 0 HA TYR A 126 5.401 -1.559 -5.699 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.356 -2.361 -3.500 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.759 -3.024 -3.791 1.00 0.11 H new ATOM 0 HD1 TYR A 126 5.989 -3.257 -6.849 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.648 -4.332 -3.708 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.006 -4.963 -8.296 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.652 -6.043 -5.148 1.00 0.27 H new ATOM 0 HH TYR A 126 8.332 -6.783 -8.324 1.00 0.36 H new ATOM 1261 N ILE A 127 6.866 0.341 -3.469 1.00 0.08 N ATOM 1262 CA ILE A 127 6.681 1.513 -2.631 1.00 0.11 C ATOM 1263 C ILE A 127 6.088 2.643 -3.448 1.00 0.12 C ATOM 1264 O ILE A 127 5.057 3.212 -3.089 1.00 0.14 O ATOM 1265 CB ILE A 127 8.034 1.949 -2.025 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.510 0.899 -1.041 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.932 3.300 -1.332 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.964 1.048 -0.698 1.00 0.13 C ATOM 0 H ILE A 127 7.828 0.003 -3.498 1.00 0.08 H new ATOM 0 HA ILE A 127 5.996 1.265 -1.820 1.00 0.11 H new ATOM 0 HB ILE A 127 8.752 2.049 -2.839 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.917 0.965 -0.129 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.339 -0.092 -1.461 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.904 3.571 -0.919 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.620 4.056 -2.053 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.199 3.242 -0.527 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.252 0.271 0.010 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.563 0.954 -1.604 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.134 2.027 -0.251 1.00 0.13 H new ATOM 1280 N ASN A 128 6.736 2.948 -4.561 1.00 0.12 N ATOM 1281 CA ASN A 128 6.216 3.951 -5.486 1.00 0.15 C ATOM 1282 C ASN A 128 4.862 3.538 -6.054 1.00 0.12 C ATOM 1283 O ASN A 128 3.993 4.382 -6.239 1.00 0.12 O ATOM 1284 CB ASN A 128 7.200 4.231 -6.629 1.00 0.20 C ATOM 1285 CG ASN A 128 8.391 5.072 -6.192 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.357 6.302 -6.255 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.444 4.416 -5.734 1.00 0.42 N ATOM 0 H ASN A 128 7.617 2.521 -4.847 1.00 0.12 H new ATOM 0 HA ASN A 128 6.086 4.869 -4.913 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.559 3.284 -7.033 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.676 4.744 -7.436 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.266 4.929 -5.417 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.434 3.397 -5.698 1.00 0.42 H new ATOM 1294 N GLU A 129 4.684 2.249 -6.331 1.00 0.11 N ATOM 1295 CA GLU A 129 3.410 1.742 -6.829 1.00 0.10 C ATOM 1296 C GLU A 129 2.290 2.021 -5.861 1.00 0.09 C ATOM 1297 O GLU A 129 1.327 2.698 -6.188 1.00 0.14 O ATOM 1298 CB GLU A 129 3.463 0.246 -7.049 1.00 0.14 C ATOM 1299 CG GLU A 129 2.951 -0.168 -8.403 1.00 0.26 C ATOM 1300 CD GLU A 129 1.672 0.531 -8.831 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.741 1.704 -9.254 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.598 -0.111 -8.783 1.00 1.55 O ATOM 0 H GLU A 129 5.406 1.537 -6.219 1.00 0.11 H new ATOM 0 HA GLU A 129 3.224 2.255 -7.773 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.492 -0.096 -6.935 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.875 -0.250 -6.277 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.724 0.028 -9.146 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.779 -1.244 -8.399 1.00 0.26 H new ATOM 1309 N LEU A 130 2.446 1.500 -4.667 1.00 0.07 N ATOM 1310 CA LEU A 130 1.434 1.603 -3.639 1.00 0.08 C ATOM 1311 C LEU A 130 1.178 3.066 -3.329 1.00 0.09 C ATOM 1312 O LEU A 130 0.040 3.480 -3.151 1.00 0.10 O ATOM 1313 CB LEU A 130 1.882 0.859 -2.392 1.00 0.08 C ATOM 1314 CG LEU A 130 0.752 0.243 -1.578 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.077 -0.871 -2.358 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.291 -0.276 -0.263 1.00 0.08 C ATOM 0 H LEU A 130 3.281 0.990 -4.379 1.00 0.07 H new ATOM 0 HA LEU A 130 0.507 1.150 -3.991 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.573 0.069 -2.686 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.437 1.547 -1.755 1.00 0.08 H new ATOM 0 HG LEU A 130 0.006 1.011 -1.373 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.728 -1.298 -1.760 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.334 -0.469 -3.284 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.807 -1.646 -2.591 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.478 -0.716 0.315 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.051 -1.034 -0.455 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.733 0.547 0.299 1.00 0.08 H new ATOM 1328 N CYS A 131 2.246 3.850 -3.309 1.00 0.11 N ATOM 1329 CA CYS A 131 2.138 5.288 -3.146 1.00 0.13 C ATOM 1330 C CYS A 131 1.307 5.888 -4.278 1.00 0.13 C ATOM 1331 O CYS A 131 0.421 6.706 -4.046 1.00 0.14 O ATOM 1332 CB CYS A 131 3.533 5.914 -3.127 1.00 0.18 C ATOM 1333 SG CYS A 131 3.548 7.714 -3.262 1.00 1.39 S ATOM 0 H CYS A 131 3.203 3.509 -3.405 1.00 0.11 H new ATOM 0 HA CYS A 131 1.640 5.500 -2.200 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.033 5.628 -2.202 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.116 5.496 -3.947 1.00 0.18 H new ATOM 0 HG CYS A 131 4.484 8.198 -2.501 1.00 1.39 H new ATOM 1339 N THR A 132 1.599 5.455 -5.498 1.00 0.12 N ATOM 1340 CA THR A 132 0.891 5.918 -6.688 1.00 0.14 C ATOM 1341 C THR A 132 -0.565 5.469 -6.641 1.00 0.11 C ATOM 1342 O THR A 132 -1.478 6.206 -7.005 1.00 0.15 O ATOM 1343 CB THR A 132 1.571 5.370 -7.961 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.893 5.914 -8.078 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.771 5.691 -9.211 1.00 0.24 C ATOM 0 H THR A 132 2.333 4.773 -5.692 1.00 0.12 H new ATOM 0 HA THR A 132 0.925 7.007 -6.712 1.00 0.14 H new ATOM 0 HB THR A 132 1.623 4.285 -7.869 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.523 5.351 -7.582 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.284 5.288 -10.084 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.220 5.244 -9.134 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.674 6.772 -9.314 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.750 4.253 -6.174 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.053 3.659 -5.945 1.00 0.07 C ATOM 1355 C VAL A 133 -2.883 4.488 -4.971 1.00 0.07 C ATOM 1356 O VAL A 133 -4.055 4.780 -5.211 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.841 2.250 -5.374 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.069 1.723 -4.668 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.414 1.301 -6.475 1.00 0.10 C ATOM 0 H VAL A 133 0.023 3.631 -5.936 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.598 3.620 -6.888 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.050 2.318 -4.627 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.866 0.724 -4.283 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.326 2.385 -3.841 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.902 1.679 -5.370 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.266 0.304 -6.059 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.187 1.263 -7.243 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.481 1.652 -6.916 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.253 4.868 -3.881 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.906 5.628 -2.830 1.00 0.11 C ATOM 1371 C LEU A 134 -3.070 7.087 -3.255 1.00 0.14 C ATOM 1372 O LEU A 134 -3.969 7.790 -2.799 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.084 5.500 -1.555 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.860 4.052 -1.102 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.780 3.970 -0.039 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.154 3.451 -0.590 1.00 0.16 C ATOM 0 H LEU A 134 -1.272 4.660 -3.695 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.905 5.235 -2.644 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.116 5.976 -1.710 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.584 6.047 -0.756 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.525 3.478 -1.966 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.644 2.931 0.262 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.156 4.357 -0.441 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.076 4.563 0.827 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.977 2.423 -0.273 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.517 4.035 0.256 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.900 3.462 -1.385 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.175 7.525 -4.130 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.248 8.804 -4.772 1.00 0.17 C ATOM 1390 C LYS A 135 -3.442 8.833 -5.699 1.00 0.15 C ATOM 1391 O LYS A 135 -4.130 9.841 -5.851 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.965 8.975 -5.568 1.00 0.23 C ATOM 1393 CG LYS A 135 -1.081 9.998 -6.634 1.00 0.56 C ATOM 1394 CD LYS A 135 -0.602 11.298 -6.101 1.00 0.68 C ATOM 1395 CE LYS A 135 0.875 11.510 -6.406 1.00 1.32 C ATOM 1396 NZ LYS A 135 1.308 12.910 -6.165 1.00 1.82 N ATOM 0 H LYS A 135 -1.362 6.977 -4.411 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.359 9.608 -4.044 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.157 9.253 -4.891 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.691 8.020 -6.016 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.492 9.706 -7.503 1.00 0.56 H new ATOM 0 HG3 LYS A 135 -2.116 10.084 -6.964 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -1.186 12.109 -6.536 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -0.762 11.333 -5.023 1.00 0.68 H new ATOM 0 HE2 LYS A 135 1.471 10.837 -5.789 1.00 1.32 H new ATOM 0 HE3 LYS A 135 1.070 11.246 -7.445 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 2.320 13.003 -6.387 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.760 13.552 -6.772 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 1.148 13.156 -5.167 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.672 7.687 -6.292 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.718 7.503 -7.261 1.00 0.14 C ATOM 1412 C ALA A 136 -6.083 7.428 -6.588 1.00 0.16 C ATOM 1413 O ALA A 136 -7.057 8.010 -7.062 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.447 6.229 -8.047 1.00 0.17 C ATOM 0 H ALA A 136 -3.127 6.844 -6.110 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.729 8.358 -7.936 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.236 6.082 -8.785 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.486 6.312 -8.555 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.424 5.379 -7.365 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.143 6.711 -5.472 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.416 6.405 -4.831 1.00 0.23 C ATOM 1422 C HIS A 137 -7.455 6.945 -3.408 1.00 0.24 C ATOM 1423 O HIS A 137 -7.837 6.255 -2.460 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.653 4.896 -4.857 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.438 4.304 -6.220 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.947 4.869 -7.370 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.702 3.243 -6.623 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.526 4.187 -8.416 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.772 3.192 -7.992 1.00 0.34 N ATOM 0 H HIS A 137 -5.326 6.331 -4.993 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.217 6.895 -5.384 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.983 4.414 -4.145 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.671 4.686 -4.529 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.159 2.562 -5.985 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.759 4.406 -9.447 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.316 2.498 -8.585 1.00 0.34 H new ATOM 1438 N SER A 138 -7.043 8.188 -3.277 1.00 0.26 N ATOM 1439 CA SER A 138 -7.099 8.898 -2.011 1.00 0.30 C ATOM 1440 C SER A 138 -8.503 9.463 -1.795 1.00 0.36 C ATOM 1441 O SER A 138 -9.171 9.865 -2.752 1.00 0.56 O ATOM 1442 CB SER A 138 -6.068 10.032 -2.026 1.00 0.40 C ATOM 1443 OG SER A 138 -6.129 10.827 -0.861 1.00 1.23 O ATOM 0 H SER A 138 -6.659 8.738 -4.045 1.00 0.26 H new ATOM 0 HA SER A 138 -6.870 8.213 -1.194 1.00 0.30 H new ATOM 0 HB2 SER A 138 -5.068 9.610 -2.123 1.00 0.40 H new ATOM 0 HB3 SER A 138 -6.235 10.660 -2.901 1.00 0.40 H new ATOM 0 HG SER A 138 -6.467 10.289 -0.115 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.939 9.514 -0.536 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.262 10.017 -0.167 1.00 0.34 C ATOM 1451 C ALA A 139 -10.361 11.529 -0.350 1.00 0.72 C ATOM 1452 O ALA A 139 -11.375 12.139 -0.018 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.567 9.634 1.271 1.00 0.26 C ATOM 0 H ALA A 139 -8.381 9.206 0.260 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.999 9.562 -0.829 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.553 10.009 1.546 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.551 8.549 1.370 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -9.816 10.069 1.931 1.00 0.26 H new ATOM 1459 N LYS A 140 -9.305 12.120 -0.883 1.00 1.04 N ATOM 1460 CA LYS A 140 -9.261 13.554 -1.113 1.00 1.45 C ATOM 1461 C LYS A 140 -8.840 13.808 -2.557 1.00 1.34 C ATOM 1462 O LYS A 140 -8.489 14.925 -2.946 1.00 1.80 O ATOM 1463 CB LYS A 140 -8.335 14.254 -0.108 1.00 2.25 C ATOM 1464 CG LYS A 140 -7.026 13.525 0.157 1.00 3.01 C ATOM 1465 CD LYS A 140 -6.188 14.243 1.205 1.00 3.61 C ATOM 1466 CE LYS A 140 -6.918 14.360 2.541 1.00 4.40 C ATOM 1467 NZ LYS A 140 -7.096 13.043 3.219 1.00 4.94 N ATOM 0 H LYS A 140 -8.460 11.624 -1.167 1.00 1.04 H new ATOM 0 HA LYS A 140 -10.252 13.980 -0.957 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -8.111 15.255 -0.476 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -8.867 14.373 0.836 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -7.236 12.509 0.491 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -6.459 13.445 -0.771 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -5.251 13.705 1.350 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -5.932 15.239 0.844 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -6.361 15.029 3.197 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -7.895 14.815 2.378 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -7.582 13.183 4.128 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -7.665 12.416 2.615 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -6.165 12.610 3.387 1.00 4.94 H new ATOM 1481 N LYS A 141 -8.897 12.733 -3.340 1.00 1.51 N ATOM 1482 CA LYS A 141 -8.676 12.797 -4.779 1.00 2.10 C ATOM 1483 C LYS A 141 -9.986 12.532 -5.501 1.00 2.90 C ATOM 1484 O LYS A 141 -10.309 13.204 -6.479 1.00 3.44 O ATOM 1485 CB LYS A 141 -7.652 11.758 -5.251 1.00 2.17 C ATOM 1486 CG LYS A 141 -6.296 11.841 -4.572 1.00 2.04 C ATOM 1487 CD LYS A 141 -5.509 13.084 -4.946 1.00 2.31 C ATOM 1488 CE LYS A 141 -4.944 13.019 -6.365 1.00 3.03 C ATOM 1489 NZ LYS A 141 -5.992 13.139 -7.415 1.00 3.84 N ATOM 0 H LYS A 141 -9.098 11.795 -2.993 1.00 1.51 H new ATOM 0 HA LYS A 141 -8.292 13.792 -5.006 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -8.064 10.762 -5.086 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -7.511 11.871 -6.326 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -6.437 11.821 -3.491 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -5.712 10.958 -4.833 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -6.154 13.958 -4.856 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -4.690 13.217 -4.239 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -4.213 13.817 -6.496 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -4.413 12.076 -6.496 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -5.615 13.676 -8.222 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -6.276 12.190 -7.732 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -6.819 13.635 -7.025 1.00 3.84 H new ATOM 1503 N LYS A 142 -10.713 11.510 -5.009 1.00 3.43 N ATOM 1504 CA LYS A 142 -12.001 11.064 -5.574 1.00 4.37 C ATOM 1505 C LYS A 142 -11.758 10.318 -6.890 1.00 4.96 C ATOM 1506 O LYS A 142 -12.214 9.191 -7.086 1.00 5.45 O ATOM 1507 CB LYS A 142 -12.964 12.245 -5.808 1.00 5.00 C ATOM 1508 CG LYS A 142 -13.043 13.239 -4.653 1.00 5.31 C ATOM 1509 CD LYS A 142 -13.576 12.610 -3.375 1.00 5.43 C ATOM 1510 CE LYS A 142 -15.055 12.272 -3.477 1.00 6.16 C ATOM 1511 NZ LYS A 142 -15.603 11.836 -2.167 1.00 6.56 N ATOM 0 H LYS A 142 -10.419 10.965 -4.199 1.00 3.43 H new ATOM 0 HA LYS A 142 -12.469 10.395 -4.852 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -12.654 12.777 -6.707 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -13.962 11.851 -5.999 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -12.052 13.651 -4.465 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -13.685 14.072 -4.939 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -13.012 11.704 -3.155 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -13.418 13.294 -2.541 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -15.605 13.144 -3.831 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -15.199 11.482 -4.214 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -16.614 11.613 -2.270 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -15.093 10.990 -1.842 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -15.487 12.600 -1.471 1.00 6.56 H new ATOM 1525 N LEU A 143 -10.998 10.974 -7.750 1.00 5.33 N ATOM 1526 CA LEU A 143 -10.614 10.449 -9.056 1.00 6.23 C ATOM 1527 C LEU A 143 -9.688 11.426 -9.770 1.00 7.01 C ATOM 1528 O LEU A 143 -8.779 11.019 -10.490 1.00 7.76 O ATOM 1529 CB LEU A 143 -11.839 10.146 -9.943 1.00 6.61 C ATOM 1530 CG LEU A 143 -12.578 11.356 -10.537 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -13.513 10.902 -11.645 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -13.363 12.103 -9.470 1.00 6.92 C ATOM 0 H LEU A 143 -10.622 11.903 -7.560 1.00 5.33 H new ATOM 0 HA LEU A 143 -10.089 9.510 -8.883 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -11.514 9.509 -10.765 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -12.551 9.568 -9.354 1.00 6.61 H new ATOM 0 HG LEU A 143 -11.833 12.037 -10.948 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -14.032 11.766 -12.060 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -12.936 10.414 -12.430 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -14.242 10.200 -11.241 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -13.874 12.953 -9.922 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -14.098 11.433 -9.023 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -12.680 12.459 -8.698 1.00 6.92 H new ATOM 1544 N ASN A 144 -9.912 12.714 -9.558 1.00 7.08 N ATOM 1545 CA ASN A 144 -9.124 13.740 -10.216 1.00 8.03 C ATOM 1546 C ASN A 144 -8.816 14.864 -9.237 1.00 8.20 C ATOM 1547 O ASN A 144 -7.687 14.898 -8.705 1.00 8.61 O ATOM 1548 CB ASN A 144 -9.875 14.278 -11.437 1.00 8.72 C ATOM 1549 CG ASN A 144 -9.070 15.296 -12.221 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -8.293 14.941 -13.108 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -9.253 16.567 -11.909 1.00 9.73 N ATOM 1552 OXT ASN A 144 -9.714 15.686 -8.976 1.00 8.17 O ATOM 0 H ASN A 144 -10.635 13.072 -8.934 1.00 7.08 H new ATOM 0 HA ASN A 144 -8.183 13.306 -10.555 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -10.137 13.447 -12.092 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -10.810 14.734 -11.111 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -8.741 17.294 -12.410 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -9.906 16.821 -11.168 1.00 9.73 H new TER 1559 ASN A 144