USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 646 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 9 CYS SG : rot 78:sc= 0.324 USER MOD Set 1.2: A 81 CYS SG : rot 71:sc= 0.743 USER MOD Set 2.1: A 70 SER OG : rot -98:sc= 0.499 USER MOD Set 2.2: A 80 GLN : amide:sc= 1.13 K(o=1.6,f=0.031) USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0.973 K(o=1.9,f=-3.1) USER MOD Set 3.2: A 36 SER OG : rot 112:sc= 0.969 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0165) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.587 (180deg=0.556) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= -0.764 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.00286 USER MOD Single : A 11 ASN : amide:sc= -0.382 K(o=-0.38,f=-2.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.55 K(o=1.5,f=-0.038) USER MOD Single : A 20 MET CE :methyl 175:sc= -0.399 (180deg=-0.471) USER MOD Single : A 22 CYS SG : rot 65:sc= -0.72 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.729) USER MOD Single : A 30 MET CE :methyl 166:sc= -0.0128 (180deg=-0.255) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.14) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -49:sc= 0.331 USER MOD Single : A 57 ASN : amide:sc= 2.05 K(o=2.1,f=-5.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -22:sc= 0.0688 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.156 -1.905 -0.875 1.00 0.00 N ATOM 2 CA MET A 1 3.733 -1.527 -2.183 1.00 0.00 C ATOM 3 C MET A 1 4.771 -0.430 -1.964 1.00 0.00 C ATOM 4 O MET A 1 4.508 0.560 -1.276 1.00 0.00 O ATOM 5 CB MET A 1 2.662 -1.112 -3.212 1.00 0.00 C ATOM 6 CG MET A 1 3.279 -0.902 -4.605 1.00 0.00 C ATOM 7 SD MET A 1 2.081 -0.623 -5.939 1.00 0.00 S ATOM 8 CE MET A 1 3.231 -0.484 -7.337 1.00 0.00 C ATOM 0 H1 MET A 1 2.536 -2.731 -0.995 1.00 0.00 H new ATOM 0 H2 MET A 1 3.922 -2.141 -0.213 1.00 0.00 H new ATOM 0 H3 MET A 1 2.604 -1.109 -0.496 1.00 0.00 H new ATOM 0 HA MET A 1 4.217 -2.403 -2.615 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.889 -1.879 -3.266 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.176 -0.193 -2.884 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.957 -0.049 -4.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.881 -1.775 -4.855 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.674 -0.256 -8.245 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.947 0.314 -7.141 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.764 -1.426 -7.465 1.00 0.00 H new ATOM 20 N GLU A 2 5.959 -0.609 -2.544 1.00 0.00 N ATOM 21 CA GLU A 2 7.106 0.270 -2.369 1.00 0.00 C ATOM 22 C GLU A 2 7.517 0.764 -3.757 1.00 0.00 C ATOM 23 O GLU A 2 7.150 0.158 -4.774 1.00 0.00 O ATOM 24 CB GLU A 2 8.244 -0.470 -1.645 1.00 0.00 C ATOM 25 CG GLU A 2 7.861 -1.008 -0.251 1.00 0.00 C ATOM 26 CD GLU A 2 7.079 -2.339 -0.279 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.672 -3.392 -0.609 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.873 -2.352 0.065 1.00 0.00 O ATOM 0 H GLU A 2 6.151 -1.394 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 2 6.858 1.127 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.574 -1.303 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.093 0.205 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.770 -1.146 0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.261 -0.258 0.263 1.00 0.00 H new ATOM 35 N TRP A 3 8.283 1.851 -3.813 1.00 0.00 N ATOM 36 CA TRP A 3 8.539 2.590 -5.029 1.00 0.00 C ATOM 37 C TRP A 3 10.036 2.891 -5.111 1.00 0.00 C ATOM 38 O TRP A 3 10.763 2.701 -4.135 1.00 0.00 O ATOM 39 CB TRP A 3 7.656 3.852 -4.994 1.00 0.00 C ATOM 40 CG TRP A 3 6.193 3.612 -4.731 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.632 3.524 -3.504 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.098 3.398 -5.676 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.285 3.253 -3.616 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.894 3.181 -4.937 1.00 0.00 C ATOM 45 CE3 TRP A 3 4.990 3.381 -7.084 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.657 2.962 -5.563 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.755 3.167 -7.724 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.588 2.959 -6.966 1.00 0.00 C ATOM 0 H TRP A 3 8.748 2.243 -2.994 1.00 0.00 H new ATOM 0 HA TRP A 3 8.285 2.029 -5.929 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.040 4.522 -4.225 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.756 4.371 -5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.162 3.648 -2.571 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.657 3.122 -2.823 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.875 3.536 -7.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.768 2.798 -4.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.703 3.162 -8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.642 2.798 -7.461 1.00 0.00 H new ATOM 59 N LEU A 4 10.509 3.342 -6.269 1.00 0.00 N ATOM 60 CA LEU A 4 11.914 3.484 -6.606 1.00 0.00 C ATOM 61 C LEU A 4 12.091 4.804 -7.335 1.00 0.00 C ATOM 62 O LEU A 4 11.421 5.080 -8.328 1.00 0.00 O ATOM 63 CB LEU A 4 12.334 2.318 -7.507 1.00 0.00 C ATOM 64 CG LEU A 4 13.793 2.322 -8.003 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.794 2.070 -6.873 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.962 1.226 -9.064 1.00 0.00 C ATOM 0 H LEU A 4 9.893 3.630 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 4 12.533 3.473 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.161 1.388 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.678 2.306 -8.377 1.00 0.00 H new ATOM 0 HG LEU A 4 13.998 3.310 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.807 2.083 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.694 2.849 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.595 1.098 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.992 1.221 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.725 0.256 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.289 1.421 -9.899 1.00 0.00 H new ATOM 78 N VAL A 5 13.013 5.604 -6.837 1.00 0.00 N ATOM 79 CA VAL A 5 13.515 6.805 -7.483 1.00 0.00 C ATOM 80 C VAL A 5 14.472 6.300 -8.548 1.00 0.00 C ATOM 81 O VAL A 5 15.530 5.758 -8.191 1.00 0.00 O ATOM 82 CB VAL A 5 14.251 7.698 -6.466 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.649 9.033 -7.106 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.385 7.950 -5.223 1.00 0.00 C ATOM 0 H VAL A 5 13.452 5.429 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 5 12.715 7.413 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 5 15.154 7.172 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.167 9.649 -6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.308 8.848 -7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.755 9.553 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.930 8.583 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.461 8.447 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.149 6.999 -4.745 1.00 0.00 H new ATOM 94 N LYS A 6 14.076 6.479 -9.816 1.00 0.00 N ATOM 95 CA LYS A 6 14.845 6.139 -11.019 1.00 0.00 C ATOM 96 C LYS A 6 15.492 7.378 -11.654 1.00 0.00 C ATOM 97 O LYS A 6 16.474 7.226 -12.374 1.00 0.00 O ATOM 98 CB LYS A 6 13.928 5.443 -12.039 1.00 0.00 C ATOM 99 CG LYS A 6 13.786 3.932 -11.775 1.00 0.00 C ATOM 100 CD LYS A 6 14.744 3.054 -12.605 1.00 0.00 C ATOM 101 CE LYS A 6 16.224 3.468 -12.515 1.00 0.00 C ATOM 102 NZ LYS A 6 17.113 2.542 -13.262 1.00 0.00 N ATOM 0 H LYS A 6 13.167 6.884 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 6 15.649 5.465 -10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.942 5.907 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.325 5.597 -13.043 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.961 3.741 -10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.760 3.632 -11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.648 2.020 -12.275 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.433 3.085 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.341 4.478 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.528 3.496 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.099 2.860 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.022 1.583 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.841 2.534 -14.266 1.00 0.00 H new ATOM 116 N LYS A 7 14.975 8.582 -11.387 1.00 0.00 N ATOM 117 CA LYS A 7 15.547 9.885 -11.752 1.00 0.00 C ATOM 118 C LYS A 7 15.179 10.846 -10.624 1.00 0.00 C ATOM 119 O LYS A 7 14.179 10.611 -9.942 1.00 0.00 O ATOM 120 CB LYS A 7 15.024 10.404 -13.103 1.00 0.00 C ATOM 121 CG LYS A 7 15.601 9.627 -14.296 1.00 0.00 C ATOM 122 CD LYS A 7 15.051 10.149 -15.627 1.00 0.00 C ATOM 123 CE LYS A 7 15.464 9.254 -16.806 1.00 0.00 C ATOM 124 NZ LYS A 7 16.909 9.359 -17.140 1.00 0.00 N ATOM 0 H LYS A 7 14.095 8.680 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 7 16.627 9.796 -11.874 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.936 10.333 -13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.276 11.460 -13.205 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.688 9.709 -14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.361 8.569 -14.192 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.964 10.202 -15.575 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.412 11.163 -15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.227 8.217 -16.568 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.874 9.523 -17.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.126 8.733 -17.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.136 10.341 -17.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.477 9.076 -16.316 1.00 0.00 H new ATOM 138 N SER A 8 15.954 11.908 -10.443 1.00 0.00 N ATOM 139 CA SER A 8 15.853 12.903 -9.377 1.00 0.00 C ATOM 140 C SER A 8 16.463 14.209 -9.918 1.00 0.00 C ATOM 141 O SER A 8 17.224 14.166 -10.893 1.00 0.00 O ATOM 142 CB SER A 8 16.619 12.383 -8.153 1.00 0.00 C ATOM 143 OG SER A 8 17.842 11.754 -8.520 1.00 0.00 O ATOM 0 H SER A 8 16.724 12.113 -11.080 1.00 0.00 H new ATOM 0 HA SER A 8 14.822 13.086 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.826 13.211 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.995 11.674 -7.609 1.00 0.00 H new ATOM 0 HG SER A 8 18.595 12.313 -8.236 1.00 0.00 H new ATOM 149 N CYS A 9 16.170 15.359 -9.300 1.00 0.00 N ATOM 150 CA CYS A 9 16.621 16.670 -9.772 1.00 0.00 C ATOM 151 C CYS A 9 17.303 17.441 -8.643 1.00 0.00 C ATOM 152 O CYS A 9 16.816 17.424 -7.510 1.00 0.00 O ATOM 153 CB CYS A 9 15.421 17.490 -10.276 1.00 0.00 C ATOM 154 SG CYS A 9 14.431 16.557 -11.476 1.00 0.00 S ATOM 0 H CYS A 9 15.608 15.404 -8.450 1.00 0.00 H new ATOM 0 HA CYS A 9 17.331 16.512 -10.584 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.795 17.776 -9.431 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.777 18.412 -10.736 1.00 0.00 H new ATOM 0 HG CYS A 9 13.680 15.702 -10.848 1.00 0.00 H new ATOM 160 N CYS A 10 18.390 18.157 -8.960 1.00 0.00 N ATOM 161 CA CYS A 10 19.003 19.125 -8.051 1.00 0.00 C ATOM 162 C CYS A 10 17.947 20.194 -7.754 1.00 0.00 C ATOM 163 O CYS A 10 17.330 20.708 -8.690 1.00 0.00 O ATOM 164 CB CYS A 10 20.252 19.743 -8.695 1.00 0.00 C ATOM 165 SG CYS A 10 21.449 18.451 -9.153 1.00 0.00 S ATOM 0 H CYS A 10 18.868 18.078 -9.858 1.00 0.00 H new ATOM 0 HA CYS A 10 19.325 18.646 -7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 10 19.967 20.311 -9.580 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.715 20.445 -8.001 1.00 0.00 H new ATOM 0 HG CYS A 10 22.494 19.001 -9.697 1.00 0.00 H new ATOM 171 N ASN A 11 17.755 20.545 -6.480 1.00 0.00 N ATOM 172 CA ASN A 11 16.587 21.310 -6.031 1.00 0.00 C ATOM 173 C ASN A 11 16.878 22.503 -5.125 1.00 0.00 C ATOM 174 O ASN A 11 15.930 23.102 -4.615 1.00 0.00 O ATOM 175 CB ASN A 11 15.647 20.352 -5.279 1.00 0.00 C ATOM 176 CG ASN A 11 16.132 20.070 -3.854 1.00 0.00 C ATOM 177 OD1 ASN A 11 17.328 19.977 -3.591 1.00 0.00 O ATOM 178 ND2 ASN A 11 15.227 19.968 -2.900 1.00 0.00 N ATOM 0 H ASN A 11 18.404 20.307 -5.730 1.00 0.00 H new ATOM 0 HA ASN A 11 16.149 21.732 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.646 20.781 -5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.571 19.414 -5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.518 19.811 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.236 20.046 -3.127 1.00 0.00 H new ATOM 185 N LYS A 12 18.141 22.847 -4.866 1.00 0.00 N ATOM 186 CA LYS A 12 18.484 23.836 -3.836 1.00 0.00 C ATOM 187 C LYS A 12 17.851 25.209 -4.067 1.00 0.00 C ATOM 188 O LYS A 12 17.678 25.957 -3.105 1.00 0.00 O ATOM 189 CB LYS A 12 20.014 23.970 -3.721 1.00 0.00 C ATOM 190 CG LYS A 12 20.590 23.274 -2.479 1.00 0.00 C ATOM 191 CD LYS A 12 20.244 24.031 -1.183 1.00 0.00 C ATOM 192 CE LYS A 12 20.789 23.331 0.072 1.00 0.00 C ATOM 193 NZ LYS A 12 22.272 23.358 0.159 1.00 0.00 N ATOM 0 H LYS A 12 18.946 22.456 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 12 18.068 23.462 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.477 23.549 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.279 25.027 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.202 22.257 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.673 23.197 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.650 25.041 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.161 24.127 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.371 23.809 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.450 22.295 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.578 22.871 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.677 22.878 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.600 24.344 0.182 1.00 0.00 H new ATOM 207 N GLN A 13 17.506 25.544 -5.313 1.00 0.00 N ATOM 208 CA GLN A 13 16.881 26.818 -5.639 1.00 0.00 C ATOM 209 C GLN A 13 15.454 26.924 -5.082 1.00 0.00 C ATOM 210 O GLN A 13 14.947 28.041 -4.983 1.00 0.00 O ATOM 211 CB GLN A 13 16.877 27.034 -7.162 1.00 0.00 C ATOM 212 CG GLN A 13 18.293 27.137 -7.752 1.00 0.00 C ATOM 213 CD GLN A 13 18.254 27.473 -9.243 1.00 0.00 C ATOM 214 OE1 GLN A 13 18.167 28.636 -9.633 1.00 0.00 O ATOM 215 NE2 GLN A 13 18.300 26.477 -10.114 1.00 0.00 N ATOM 0 H GLN A 13 17.654 24.937 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 13 17.472 27.601 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 13 16.348 26.210 -7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 13 16.324 27.944 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.856 27.904 -7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 13 18.820 26.194 -7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.372 25.514 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.263 26.672 -11.114 1.00 0.00 H new ATOM 224 N ASP A 14 14.791 25.811 -4.732 1.00 0.00 N ATOM 225 CA ASP A 14 13.365 25.827 -4.379 1.00 0.00 C ATOM 226 C ASP A 14 12.974 24.866 -3.248 1.00 0.00 C ATOM 227 O ASP A 14 11.877 24.974 -2.705 1.00 0.00 O ATOM 228 CB ASP A 14 12.539 25.495 -5.631 1.00 0.00 C ATOM 229 CG ASP A 14 11.081 25.946 -5.460 1.00 0.00 C ATOM 230 OD1 ASP A 14 10.831 27.162 -5.306 1.00 0.00 O ATOM 231 OD2 ASP A 14 10.176 25.087 -5.489 1.00 0.00 O ATOM 0 H ASP A 14 15.222 24.887 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 14 13.156 26.829 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.976 25.985 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.572 24.422 -5.820 1.00 0.00 H new ATOM 236 N ASN A 15 13.848 23.914 -2.892 1.00 0.00 N ATOM 237 CA ASN A 15 13.660 22.828 -1.914 1.00 0.00 C ATOM 238 C ASN A 15 12.646 21.774 -2.391 1.00 0.00 C ATOM 239 O ASN A 15 12.610 20.658 -1.872 1.00 0.00 O ATOM 240 CB ASN A 15 13.343 23.367 -0.500 1.00 0.00 C ATOM 241 CG ASN A 15 13.818 22.465 0.648 1.00 0.00 C ATOM 242 OD1 ASN A 15 14.531 22.916 1.540 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.443 21.199 0.678 1.00 0.00 N ATOM 0 H ASN A 15 14.777 23.879 -3.312 1.00 0.00 H new ATOM 0 HA ASN A 15 14.615 22.309 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.803 24.349 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.266 23.508 -0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.746 20.595 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.851 20.825 -0.063 1.00 0.00 H new ATOM 250 N ARG A 16 11.851 22.064 -3.417 1.00 0.00 N ATOM 251 CA ARG A 16 10.964 21.085 -4.042 1.00 0.00 C ATOM 252 C ARG A 16 11.799 20.162 -4.927 1.00 0.00 C ATOM 253 O ARG A 16 12.220 20.575 -6.005 1.00 0.00 O ATOM 254 CB ARG A 16 9.850 21.761 -4.857 1.00 0.00 C ATOM 255 CG ARG A 16 8.898 22.589 -3.983 1.00 0.00 C ATOM 256 CD ARG A 16 7.724 23.113 -4.821 1.00 0.00 C ATOM 257 NE ARG A 16 6.775 23.902 -4.016 1.00 0.00 N ATOM 258 CZ ARG A 16 6.893 25.199 -3.700 1.00 0.00 C ATOM 259 NH1 ARG A 16 7.961 25.898 -4.069 1.00 0.00 N ATOM 260 NH2 ARG A 16 5.931 25.796 -3.002 1.00 0.00 N ATOM 0 H ARG A 16 11.803 22.990 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 16 10.472 20.506 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.298 22.407 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.280 20.999 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.523 21.978 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.437 23.425 -3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.107 23.728 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.201 22.272 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 16 5.950 23.415 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.706 25.448 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.036 26.884 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.109 25.267 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.015 26.783 -2.758 1.00 0.00 H new ATOM 274 N HIS A 17 12.119 18.956 -4.458 1.00 0.00 N ATOM 275 CA HIS A 17 12.699 17.939 -5.327 1.00 0.00 C ATOM 276 C HIS A 17 11.642 17.508 -6.349 1.00 0.00 C ATOM 277 O HIS A 17 10.437 17.637 -6.123 1.00 0.00 O ATOM 278 CB HIS A 17 13.143 16.709 -4.517 1.00 0.00 C ATOM 279 CG HIS A 17 14.425 16.837 -3.743 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.549 16.850 -2.373 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.687 16.734 -4.261 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.857 16.773 -2.073 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.597 16.700 -3.195 1.00 0.00 N ATOM 0 H HIS A 17 11.987 18.664 -3.490 1.00 0.00 H new ATOM 0 HA HIS A 17 13.573 18.358 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.347 16.457 -3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.242 15.868 -5.203 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.939 16.687 -5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.259 16.770 -1.070 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.613 16.633 -3.257 1.00 0.00 H new ATOM 291 N VAL A 18 12.084 16.910 -7.451 1.00 0.00 N ATOM 292 CA VAL A 18 11.201 16.227 -8.387 1.00 0.00 C ATOM 293 C VAL A 18 11.955 14.981 -8.813 1.00 0.00 C ATOM 294 O VAL A 18 13.182 15.002 -8.952 1.00 0.00 O ATOM 295 CB VAL A 18 10.811 17.103 -9.594 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.580 16.542 -10.327 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.518 18.560 -9.206 1.00 0.00 C ATOM 0 H VAL A 18 13.068 16.886 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 18 10.249 15.985 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 18 11.680 17.085 -10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.335 17.186 -11.172 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.798 15.537 -10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.734 16.505 -9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.249 19.127 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.692 18.588 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.405 19.000 -8.750 1.00 0.00 H new ATOM 307 N LEU A 19 11.217 13.888 -8.939 1.00 0.00 N ATOM 308 CA LEU A 19 11.764 12.568 -9.202 1.00 0.00 C ATOM 309 C LEU A 19 10.844 11.798 -10.142 1.00 0.00 C ATOM 310 O LEU A 19 9.690 12.178 -10.359 1.00 0.00 O ATOM 311 CB LEU A 19 12.071 11.752 -7.916 1.00 0.00 C ATOM 312 CG LEU A 19 11.573 12.200 -6.524 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.837 11.073 -5.531 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.316 13.449 -6.024 1.00 0.00 C ATOM 0 H LEU A 19 10.200 13.896 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 19 12.729 12.718 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.682 10.747 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.156 11.667 -7.849 1.00 0.00 H new ATOM 0 HG LEU A 19 10.512 12.435 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.491 11.372 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.303 10.177 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.906 10.864 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.935 13.730 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.382 13.234 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.158 14.270 -6.723 1.00 0.00 H new ATOM 326 N MET A 20 11.360 10.687 -10.670 1.00 0.00 N ATOM 327 CA MET A 20 10.602 9.750 -11.475 1.00 0.00 C ATOM 328 C MET A 20 10.396 8.569 -10.544 1.00 0.00 C ATOM 329 O MET A 20 11.311 7.772 -10.309 1.00 0.00 O ATOM 330 CB MET A 20 11.349 9.420 -12.771 1.00 0.00 C ATOM 331 CG MET A 20 10.489 8.616 -13.750 1.00 0.00 C ATOM 332 SD MET A 20 11.271 8.315 -15.360 1.00 0.00 S ATOM 333 CE MET A 20 12.657 7.259 -14.863 1.00 0.00 C ATOM 0 H MET A 20 12.335 10.415 -10.543 1.00 0.00 H new ATOM 0 HA MET A 20 9.644 10.130 -11.829 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.670 10.346 -13.249 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.250 8.855 -12.534 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.242 7.657 -13.295 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.549 9.145 -13.909 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.187 6.913 -15.750 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.340 7.828 -14.231 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.279 6.400 -14.308 1.00 0.00 H new ATOM 343 N LEU A 21 9.232 8.577 -9.902 1.00 0.00 N ATOM 344 CA LEU A 21 8.833 7.635 -8.883 1.00 0.00 C ATOM 345 C LEU A 21 8.264 6.445 -9.635 1.00 0.00 C ATOM 346 O LEU A 21 7.309 6.581 -10.390 1.00 0.00 O ATOM 347 CB LEU A 21 7.813 8.344 -7.978 1.00 0.00 C ATOM 348 CG LEU A 21 7.301 7.509 -6.792 1.00 0.00 C ATOM 349 CD1 LEU A 21 6.764 8.450 -5.706 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.160 6.572 -7.200 1.00 0.00 C ATOM 0 H LEU A 21 8.514 9.276 -10.093 1.00 0.00 H new ATOM 0 HA LEU A 21 9.638 7.286 -8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.267 9.256 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.960 8.645 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 21 8.138 6.911 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.400 7.863 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.563 9.111 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.947 9.046 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.829 6.002 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.327 7.160 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.510 5.887 -7.972 1.00 0.00 H new ATOM 362 N CYS A 22 8.858 5.280 -9.458 1.00 0.00 N ATOM 363 CA CYS A 22 8.533 4.066 -10.187 1.00 0.00 C ATOM 364 C CYS A 22 8.161 2.997 -9.169 1.00 0.00 C ATOM 365 O CYS A 22 8.373 3.213 -7.981 1.00 0.00 O ATOM 366 CB CYS A 22 9.758 3.672 -11.018 1.00 0.00 C ATOM 367 SG CYS A 22 10.302 5.085 -12.027 1.00 0.00 S ATOM 0 H CYS A 22 9.607 5.147 -8.779 1.00 0.00 H new ATOM 0 HA CYS A 22 7.691 4.200 -10.866 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.566 3.351 -10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.515 2.826 -11.662 1.00 0.00 H new ATOM 0 HG CYS A 22 10.704 6.045 -11.248 1.00 0.00 H new ATOM 373 N ASP A 23 7.594 1.861 -9.567 1.00 0.00 N ATOM 374 CA ASP A 23 7.461 0.747 -8.622 1.00 0.00 C ATOM 375 C ASP A 23 8.861 0.266 -8.212 1.00 0.00 C ATOM 376 O ASP A 23 9.842 0.552 -8.908 1.00 0.00 O ATOM 377 CB ASP A 23 6.632 -0.408 -9.200 1.00 0.00 C ATOM 378 CG ASP A 23 7.470 -1.359 -10.063 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.860 -0.952 -11.177 1.00 0.00 O ATOM 380 OD2 ASP A 23 7.724 -2.504 -9.627 1.00 0.00 O ATOM 0 H ASP A 23 7.229 1.686 -10.503 1.00 0.00 H new ATOM 0 HA ASP A 23 6.923 1.104 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.178 -0.969 -8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.817 -0.002 -9.799 1.00 0.00 H new ATOM 385 N ALA A 24 8.968 -0.460 -7.093 1.00 0.00 N ATOM 386 CA ALA A 24 10.195 -1.110 -6.633 1.00 0.00 C ATOM 387 C ALA A 24 10.647 -2.206 -7.620 1.00 0.00 C ATOM 388 O ALA A 24 10.482 -3.403 -7.366 1.00 0.00 O ATOM 389 CB ALA A 24 10.006 -1.634 -5.203 1.00 0.00 C ATOM 0 H ALA A 24 8.178 -0.614 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 24 11.002 -0.377 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.924 -2.117 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.770 -0.802 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.189 -2.356 -5.185 1.00 0.00 H new ATOM 395 N GLY A 25 11.187 -1.783 -8.763 1.00 0.00 N ATOM 396 CA GLY A 25 11.497 -2.626 -9.912 1.00 0.00 C ATOM 397 C GLY A 25 11.659 -1.822 -11.205 1.00 0.00 C ATOM 398 O GLY A 25 12.332 -2.282 -12.129 1.00 0.00 O ATOM 0 H GLY A 25 11.429 -0.804 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.415 -3.179 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.703 -3.362 -10.043 1.00 0.00 H new ATOM 402 N GLY A 26 11.076 -0.620 -11.276 1.00 0.00 N ATOM 403 CA GLY A 26 11.141 0.257 -12.441 1.00 0.00 C ATOM 404 C GLY A 26 10.293 -0.219 -13.627 1.00 0.00 C ATOM 405 O GLY A 26 10.462 0.309 -14.727 1.00 0.00 O ATOM 0 H GLY A 26 10.535 -0.225 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.813 1.255 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.179 0.343 -12.761 1.00 0.00 H new ATOM 409 N ALA A 27 9.408 -1.202 -13.445 1.00 0.00 N ATOM 410 CA ALA A 27 8.544 -1.724 -14.499 1.00 0.00 C ATOM 411 C ALA A 27 7.370 -0.775 -14.776 1.00 0.00 C ATOM 412 O ALA A 27 6.916 -0.686 -15.918 1.00 0.00 O ATOM 413 CB ALA A 27 8.018 -3.103 -14.087 1.00 0.00 C ATOM 0 H ALA A 27 9.272 -1.663 -12.545 1.00 0.00 H new ATOM 0 HA ALA A 27 9.128 -1.810 -15.416 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.372 -3.496 -14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.857 -3.782 -13.934 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.450 -3.014 -13.161 1.00 0.00 H new ATOM 419 N ILE A 28 6.900 -0.055 -13.756 1.00 0.00 N ATOM 420 CA ILE A 28 5.841 0.948 -13.836 1.00 0.00 C ATOM 421 C ILE A 28 6.495 2.263 -13.419 1.00 0.00 C ATOM 422 O ILE A 28 7.269 2.272 -12.458 1.00 0.00 O ATOM 423 CB ILE A 28 4.668 0.566 -12.896 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.109 -0.858 -13.130 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.529 1.601 -12.968 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.487 -1.107 -14.511 1.00 0.00 C ATOM 0 H ILE A 28 7.265 -0.161 -12.809 1.00 0.00 H new ATOM 0 HA ILE A 28 5.416 1.025 -14.837 1.00 0.00 H new ATOM 0 HB ILE A 28 5.097 0.569 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.916 -1.575 -12.980 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.355 -1.063 -12.370 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.723 1.303 -12.297 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.907 2.579 -12.669 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.150 1.655 -13.989 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.127 -2.134 -14.568 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.653 -0.422 -14.663 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.238 -0.942 -15.283 1.00 0.00 H new ATOM 438 N LYS A 29 6.198 3.369 -14.111 1.00 0.00 N ATOM 439 CA LYS A 29 6.861 4.652 -13.887 1.00 0.00 C ATOM 440 C LYS A 29 5.835 5.775 -13.788 1.00 0.00 C ATOM 441 O LYS A 29 4.832 5.789 -14.506 1.00 0.00 O ATOM 442 CB LYS A 29 7.890 4.940 -14.994 1.00 0.00 C ATOM 443 CG LYS A 29 9.032 3.900 -15.052 1.00 0.00 C ATOM 444 CD LYS A 29 10.308 4.517 -15.652 1.00 0.00 C ATOM 445 CE LYS A 29 11.595 3.716 -15.375 1.00 0.00 C ATOM 446 NZ LYS A 29 11.644 2.428 -16.114 1.00 0.00 N ATOM 0 H LYS A 29 5.489 3.396 -14.843 1.00 0.00 H new ATOM 0 HA LYS A 29 7.398 4.598 -12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.380 4.964 -15.957 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.317 5.930 -14.835 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.241 3.527 -14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.720 3.045 -15.652 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.179 4.611 -16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.430 5.525 -15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.459 4.320 -15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.671 3.519 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.635 2.174 -16.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.199 1.682 -15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.133 2.525 -17.014 1.00 0.00 H new ATOM 460 N MET A 30 6.112 6.733 -12.912 1.00 0.00 N ATOM 461 CA MET A 30 5.324 7.915 -12.602 1.00 0.00 C ATOM 462 C MET A 30 6.311 9.064 -12.359 1.00 0.00 C ATOM 463 O MET A 30 7.528 8.870 -12.325 1.00 0.00 O ATOM 464 CB MET A 30 4.431 7.675 -11.364 1.00 0.00 C ATOM 465 CG MET A 30 3.393 6.564 -11.565 1.00 0.00 C ATOM 466 SD MET A 30 2.273 6.293 -10.162 1.00 0.00 S ATOM 467 CE MET A 30 1.369 7.868 -10.139 1.00 0.00 C ATOM 0 H MET A 30 6.966 6.698 -12.355 1.00 0.00 H new ATOM 0 HA MET A 30 4.653 8.157 -13.426 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.063 7.421 -10.513 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.916 8.602 -11.112 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.796 6.801 -12.446 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.917 5.632 -11.776 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.486 7.772 -9.507 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.015 8.652 -9.744 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.063 8.127 -11.153 1.00 0.00 H new ATOM 477 N ILE A 31 5.797 10.276 -12.194 1.00 0.00 N ATOM 478 CA ILE A 31 6.549 11.485 -11.893 1.00 0.00 C ATOM 479 C ILE A 31 6.005 11.955 -10.549 1.00 0.00 C ATOM 480 O ILE A 31 4.798 11.844 -10.319 1.00 0.00 O ATOM 481 CB ILE A 31 6.341 12.535 -12.996 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.766 11.998 -14.379 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.146 13.817 -12.716 1.00 0.00 C ATOM 484 CD1 ILE A 31 5.878 12.622 -15.448 1.00 0.00 C ATOM 0 H ILE A 31 4.795 10.450 -12.270 1.00 0.00 H new ATOM 0 HA ILE A 31 7.624 11.314 -11.847 1.00 0.00 H new ATOM 0 HB ILE A 31 5.275 12.762 -13.000 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.812 12.238 -14.571 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.679 10.912 -14.404 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.974 14.537 -13.517 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.827 14.247 -11.767 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.208 13.576 -12.666 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.172 12.248 -16.429 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.838 12.359 -15.256 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.988 13.706 -15.425 1.00 0.00 H new ATOM 496 N ALA A 32 6.855 12.483 -9.669 1.00 0.00 N ATOM 497 CA ALA A 32 6.425 13.026 -8.393 1.00 0.00 C ATOM 498 C ALA A 32 7.233 14.282 -8.090 1.00 0.00 C ATOM 499 O ALA A 32 8.464 14.264 -8.121 1.00 0.00 O ATOM 500 CB ALA A 32 6.605 11.981 -7.287 1.00 0.00 C ATOM 0 H ALA A 32 7.861 12.544 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 32 5.367 13.286 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.279 12.399 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.008 11.099 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.656 11.700 -7.219 1.00 0.00 H new ATOM 506 N GLU A 33 6.530 15.364 -7.788 1.00 0.00 N ATOM 507 CA GLU A 33 7.061 16.605 -7.257 1.00 0.00 C ATOM 508 C GLU A 33 6.879 16.498 -5.742 1.00 0.00 C ATOM 509 O GLU A 33 5.784 16.175 -5.267 1.00 0.00 O ATOM 510 CB GLU A 33 6.235 17.761 -7.845 1.00 0.00 C ATOM 511 CG GLU A 33 6.763 19.160 -7.509 1.00 0.00 C ATOM 512 CD GLU A 33 5.731 20.245 -7.872 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.386 20.385 -9.067 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.265 20.966 -6.963 1.00 0.00 O ATOM 0 H GLU A 33 5.519 15.398 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 33 8.107 16.783 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.201 17.651 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.210 17.678 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.997 19.218 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.691 19.341 -8.050 1.00 0.00 H new ATOM 521 N VAL A 34 7.939 16.735 -4.977 1.00 0.00 N ATOM 522 CA VAL A 34 7.980 16.447 -3.550 1.00 0.00 C ATOM 523 C VAL A 34 8.784 17.544 -2.837 1.00 0.00 C ATOM 524 O VAL A 34 9.450 18.349 -3.487 1.00 0.00 O ATOM 525 CB VAL A 34 8.557 15.026 -3.330 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.867 13.915 -4.143 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.055 14.937 -3.645 1.00 0.00 C ATOM 0 H VAL A 34 8.805 17.138 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 34 6.979 16.453 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 34 8.367 14.859 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.339 12.957 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.812 13.870 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.962 14.131 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.403 13.919 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.224 15.207 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.604 15.622 -2.999 1.00 0.00 H new ATOM 537 N LYS A 35 8.780 17.584 -1.506 1.00 0.00 N ATOM 538 CA LYS A 35 9.678 18.430 -0.719 1.00 0.00 C ATOM 539 C LYS A 35 10.295 17.537 0.344 1.00 0.00 C ATOM 540 O LYS A 35 9.621 16.638 0.845 1.00 0.00 O ATOM 541 CB LYS A 35 8.913 19.614 -0.101 1.00 0.00 C ATOM 542 CG LYS A 35 9.869 20.682 0.453 1.00 0.00 C ATOM 543 CD LYS A 35 9.151 21.838 1.166 1.00 0.00 C ATOM 544 CE LYS A 35 8.288 22.685 0.215 1.00 0.00 C ATOM 545 NZ LYS A 35 7.645 23.825 0.917 1.00 0.00 N ATOM 0 H LYS A 35 8.146 17.024 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 35 10.457 18.869 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.265 20.062 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.268 19.252 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.563 20.211 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.465 21.085 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.520 21.434 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.892 22.479 1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.908 23.063 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.520 22.056 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.073 24.371 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.033 23.464 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.378 24.440 1.325 1.00 0.00 H new ATOM 559 N SER A 36 11.549 17.782 0.697 1.00 0.00 N ATOM 560 CA SER A 36 12.316 16.872 1.541 1.00 0.00 C ATOM 561 C SER A 36 13.147 17.654 2.551 1.00 0.00 C ATOM 562 O SER A 36 13.558 18.787 2.282 1.00 0.00 O ATOM 563 CB SER A 36 13.226 15.989 0.673 1.00 0.00 C ATOM 564 OG SER A 36 12.627 15.659 -0.573 1.00 0.00 O ATOM 0 H SER A 36 12.064 18.614 0.408 1.00 0.00 H new ATOM 0 HA SER A 36 11.621 16.234 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.168 16.507 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.463 15.073 1.214 1.00 0.00 H new ATOM 0 HG SER A 36 13.116 16.101 -1.298 1.00 0.00 H new ATOM 570 N ASP A 37 13.439 17.019 3.686 1.00 0.00 N ATOM 571 CA ASP A 37 14.361 17.537 4.705 1.00 0.00 C ATOM 572 C ASP A 37 15.729 16.832 4.620 1.00 0.00 C ATOM 573 O ASP A 37 16.628 17.085 5.423 1.00 0.00 O ATOM 574 CB ASP A 37 13.720 17.384 6.093 1.00 0.00 C ATOM 575 CG ASP A 37 14.536 18.077 7.201 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.807 19.295 7.090 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.843 17.434 8.230 1.00 0.00 O ATOM 0 H ASP A 37 13.036 16.114 3.930 1.00 0.00 H new ATOM 0 HA ASP A 37 14.544 18.596 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.713 17.802 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.621 16.324 6.329 1.00 0.00 H new ATOM 582 N PHE A 38 15.893 15.952 3.626 1.00 0.00 N ATOM 583 CA PHE A 38 17.066 15.128 3.365 1.00 0.00 C ATOM 584 C PHE A 38 17.238 15.047 1.845 1.00 0.00 C ATOM 585 O PHE A 38 16.270 15.242 1.102 1.00 0.00 O ATOM 586 CB PHE A 38 16.852 13.712 3.930 1.00 0.00 C ATOM 587 CG PHE A 38 16.518 13.631 5.409 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.187 13.801 5.840 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.528 13.375 6.355 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.870 13.730 7.207 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.210 13.299 7.724 1.00 0.00 C ATOM 592 CZ PHE A 38 15.881 13.476 8.149 1.00 0.00 C ATOM 0 H PHE A 38 15.156 15.790 2.939 1.00 0.00 H new ATOM 0 HA PHE A 38 17.948 15.560 3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.048 13.236 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.755 13.129 3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.407 13.987 5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.549 13.237 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.850 13.871 7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.987 13.105 8.449 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.638 13.417 9.200 1.00 0.00 H new ATOM 602 N ALA A 39 18.448 14.738 1.375 1.00 0.00 N ATOM 603 CA ALA A 39 18.687 14.453 -0.032 1.00 0.00 C ATOM 604 C ALA A 39 17.944 13.176 -0.447 1.00 0.00 C ATOM 605 O ALA A 39 17.755 12.266 0.364 1.00 0.00 O ATOM 606 CB ALA A 39 20.193 14.308 -0.285 1.00 0.00 C ATOM 0 H ALA A 39 19.282 14.680 1.959 1.00 0.00 H new ATOM 0 HA ALA A 39 18.310 15.280 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.366 14.095 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.698 15.235 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.586 13.491 0.320 1.00 0.00 H new ATOM 612 N VAL A 40 17.597 13.080 -1.729 1.00 0.00 N ATOM 613 CA VAL A 40 17.034 11.892 -2.361 1.00 0.00 C ATOM 614 C VAL A 40 17.594 11.867 -3.787 1.00 0.00 C ATOM 615 O VAL A 40 17.693 12.918 -4.429 1.00 0.00 O ATOM 616 CB VAL A 40 15.487 11.916 -2.268 1.00 0.00 C ATOM 617 CG1 VAL A 40 14.829 13.222 -2.744 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.841 10.747 -3.022 1.00 0.00 C ATOM 0 H VAL A 40 17.705 13.858 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 40 17.315 10.964 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 40 15.302 11.827 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.747 13.143 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.191 14.053 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.082 13.397 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.757 10.808 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.117 10.797 -4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.190 9.805 -2.600 1.00 0.00 H new ATOM 628 N LYS A 41 18.017 10.697 -4.270 1.00 0.00 N ATOM 629 CA LYS A 41 18.653 10.538 -5.576 1.00 0.00 C ATOM 630 C LYS A 41 18.299 9.184 -6.181 1.00 0.00 C ATOM 631 O LYS A 41 17.603 8.380 -5.564 1.00 0.00 O ATOM 632 CB LYS A 41 20.174 10.807 -5.495 1.00 0.00 C ATOM 633 CG LYS A 41 21.070 9.660 -4.993 1.00 0.00 C ATOM 634 CD LYS A 41 20.653 9.101 -3.634 1.00 0.00 C ATOM 635 CE LYS A 41 21.601 7.995 -3.166 1.00 0.00 C ATOM 636 NZ LYS A 41 21.100 7.362 -1.925 1.00 0.00 N ATOM 0 H LYS A 41 17.925 9.821 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 41 18.260 11.291 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.519 11.094 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.330 11.666 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.057 8.854 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.098 10.016 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.639 9.905 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.638 8.709 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.703 7.242 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.594 8.410 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.671 6.520 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.170 8.038 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.107 7.083 -2.054 1.00 0.00 H new ATOM 650 N VAL A 42 18.758 8.939 -7.403 1.00 0.00 N ATOM 651 CA VAL A 42 18.493 7.709 -8.133 1.00 0.00 C ATOM 652 C VAL A 42 18.925 6.471 -7.342 1.00 0.00 C ATOM 653 O VAL A 42 19.917 6.482 -6.607 1.00 0.00 O ATOM 654 CB VAL A 42 19.161 7.792 -9.518 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.891 6.528 -10.348 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.602 9.011 -10.257 1.00 0.00 C ATOM 0 H VAL A 42 19.334 9.602 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 42 17.418 7.600 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 42 20.239 7.881 -9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.377 6.620 -11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.287 5.658 -9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.817 6.408 -10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.065 9.084 -11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.523 8.904 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.819 9.914 -9.686 1.00 0.00 H new ATOM 666 N GLY A 43 18.178 5.387 -7.554 1.00 0.00 N ATOM 667 CA GLY A 43 18.356 4.117 -6.888 1.00 0.00 C ATOM 668 C GLY A 43 17.879 4.208 -5.443 1.00 0.00 C ATOM 669 O GLY A 43 18.440 3.505 -4.600 1.00 0.00 O ATOM 0 H GLY A 43 17.406 5.380 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.799 3.341 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.407 3.829 -6.914 1.00 0.00 H new ATOM 673 N ASP A 44 16.892 5.067 -5.140 1.00 0.00 N ATOM 674 CA ASP A 44 16.417 5.176 -3.739 1.00 0.00 C ATOM 675 C ASP A 44 15.064 4.501 -3.639 1.00 0.00 C ATOM 676 O ASP A 44 14.244 4.666 -4.535 1.00 0.00 O ATOM 677 CB ASP A 44 16.259 6.614 -3.200 1.00 0.00 C ATOM 678 CG ASP A 44 17.517 7.256 -2.600 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.445 6.526 -2.180 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.547 8.499 -2.456 1.00 0.00 O ATOM 0 H ASP A 44 16.420 5.675 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 44 17.190 4.704 -3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.906 7.248 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.480 6.610 -2.438 1.00 0.00 H new ATOM 685 N LEU A 45 14.789 3.786 -2.546 1.00 0.00 N ATOM 686 CA LEU A 45 13.437 3.299 -2.295 1.00 0.00 C ATOM 687 C LEU A 45 12.601 4.446 -1.724 1.00 0.00 C ATOM 688 O LEU A 45 13.147 5.320 -1.046 1.00 0.00 O ATOM 689 CB LEU A 45 13.474 2.150 -1.273 1.00 0.00 C ATOM 690 CG LEU A 45 12.199 1.281 -1.255 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.241 0.218 -2.359 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.056 0.613 0.115 1.00 0.00 C ATOM 0 H LEU A 45 15.474 3.536 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 45 13.002 2.937 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.332 1.513 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.630 2.568 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 45 11.338 1.923 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.330 -0.380 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.317 0.706 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.106 -0.428 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.155 -0.001 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.926 -0.015 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.984 1.379 0.887 1.00 0.00 H new ATOM 704 N LEU A 46 11.285 4.395 -1.923 1.00 0.00 N ATOM 705 CA LEU A 46 10.298 5.229 -1.252 1.00 0.00 C ATOM 706 C LEU A 46 9.206 4.286 -0.779 1.00 0.00 C ATOM 707 O LEU A 46 8.672 3.516 -1.580 1.00 0.00 O ATOM 708 CB LEU A 46 9.664 6.289 -2.176 1.00 0.00 C ATOM 709 CG LEU A 46 10.633 7.294 -2.798 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.885 8.233 -3.759 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.325 8.140 -1.727 1.00 0.00 C ATOM 0 H LEU A 46 10.863 3.743 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 46 10.786 5.775 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.138 5.775 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.915 6.839 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 46 11.386 6.724 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.588 8.943 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.422 7.647 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.114 8.775 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.007 8.844 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.576 8.690 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.886 7.490 -1.056 1.00 0.00 H new ATOM 723 N SER A 47 8.828 4.396 0.488 1.00 0.00 N ATOM 724 CA SER A 47 7.695 3.660 1.046 1.00 0.00 C ATOM 725 C SER A 47 6.880 4.605 1.930 1.00 0.00 C ATOM 726 O SER A 47 7.485 5.387 2.672 1.00 0.00 O ATOM 727 CB SER A 47 8.171 2.442 1.848 1.00 0.00 C ATOM 728 OG SER A 47 9.122 1.684 1.123 1.00 0.00 O ATOM 0 H SER A 47 9.299 5.000 1.162 1.00 0.00 H new ATOM 0 HA SER A 47 7.070 3.290 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.609 2.773 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.317 1.813 2.098 1.00 0.00 H new ATOM 0 HG SER A 47 9.407 0.916 1.661 1.00 0.00 H new ATOM 734 N PRO A 48 5.538 4.583 1.856 1.00 0.00 N ATOM 735 CA PRO A 48 4.705 5.513 2.600 1.00 0.00 C ATOM 736 C PRO A 48 4.776 5.204 4.094 1.00 0.00 C ATOM 737 O PRO A 48 4.699 4.047 4.517 1.00 0.00 O ATOM 738 CB PRO A 48 3.290 5.351 2.036 1.00 0.00 C ATOM 739 CG PRO A 48 3.273 3.922 1.497 1.00 0.00 C ATOM 740 CD PRO A 48 4.716 3.692 1.047 1.00 0.00 C ATOM 0 HA PRO A 48 5.036 6.546 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.533 5.497 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.088 6.078 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.973 3.208 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.572 3.814 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.009 2.652 1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.833 3.910 -0.014 1.00 0.00 H new ATOM 748 N LEU A 49 4.900 6.262 4.890 1.00 0.00 N ATOM 749 CA LEU A 49 4.854 6.202 6.353 1.00 0.00 C ATOM 750 C LEU A 49 3.427 6.468 6.833 1.00 0.00 C ATOM 751 O LEU A 49 2.969 5.898 7.823 1.00 0.00 O ATOM 752 CB LEU A 49 5.788 7.281 6.922 1.00 0.00 C ATOM 753 CG LEU A 49 7.275 7.031 6.620 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.087 8.257 7.033 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.804 5.793 7.352 1.00 0.00 C ATOM 0 H LEU A 49 5.038 7.207 4.531 1.00 0.00 H new ATOM 0 HA LEU A 49 5.170 5.215 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.501 8.250 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.650 7.337 8.002 1.00 0.00 H new ATOM 0 HG LEU A 49 7.377 6.853 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.142 8.083 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.743 9.127 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.957 8.437 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.858 5.651 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.692 5.931 8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.239 4.915 7.038 1.00 0.00 H new ATOM 767 N GLN A 50 2.741 7.339 6.101 1.00 0.00 N ATOM 768 CA GLN A 50 1.362 7.781 6.242 1.00 0.00 C ATOM 769 C GLN A 50 0.998 8.381 4.871 1.00 0.00 C ATOM 770 O GLN A 50 1.751 8.203 3.906 1.00 0.00 O ATOM 771 CB GLN A 50 1.254 8.813 7.388 1.00 0.00 C ATOM 772 CG GLN A 50 2.315 9.924 7.315 1.00 0.00 C ATOM 773 CD GLN A 50 1.872 11.197 8.031 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.923 11.300 9.255 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.432 12.194 7.281 1.00 0.00 N ATOM 0 H GLN A 50 3.188 7.801 5.309 1.00 0.00 H new ATOM 0 HA GLN A 50 0.676 6.976 6.505 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.263 9.266 7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.347 8.295 8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.244 9.565 7.758 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.527 10.152 6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.396 12.092 6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.129 13.065 7.717 1.00 0.00 H new ATOM 784 N ASN A 51 -0.120 9.106 4.751 1.00 0.00 N ATOM 785 CA ASN A 51 -0.340 9.894 3.539 1.00 0.00 C ATOM 786 C ASN A 51 0.726 10.989 3.467 1.00 0.00 C ATOM 787 O ASN A 51 1.214 11.466 4.496 1.00 0.00 O ATOM 788 CB ASN A 51 -1.734 10.530 3.490 1.00 0.00 C ATOM 789 CG ASN A 51 -2.016 11.106 2.102 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.232 10.364 1.150 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.962 12.416 1.934 1.00 0.00 N ATOM 0 H ASN A 51 -0.860 9.163 5.451 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.269 9.220 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.489 9.784 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.806 11.319 4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.101 12.817 1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.782 13.025 2.732 1.00 0.00 H new ATOM 798 N ALA A 52 1.022 11.422 2.248 1.00 0.00 N ATOM 799 CA ALA A 52 2.005 12.406 1.824 1.00 0.00 C ATOM 800 C ALA A 52 3.458 12.076 2.181 1.00 0.00 C ATOM 801 O ALA A 52 4.308 12.225 1.307 1.00 0.00 O ATOM 802 CB ALA A 52 1.592 13.809 2.281 1.00 0.00 C ATOM 0 H ALA A 52 0.520 11.048 1.443 1.00 0.00 H new ATOM 0 HA ALA A 52 2.001 12.375 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.339 14.533 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.626 14.064 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.517 13.830 3.368 1.00 0.00 H new ATOM 808 N LEU A 53 3.777 11.647 3.405 1.00 0.00 N ATOM 809 CA LEU A 53 5.148 11.344 3.806 1.00 0.00 C ATOM 810 C LEU A 53 5.535 9.943 3.358 1.00 0.00 C ATOM 811 O LEU A 53 4.863 8.962 3.691 1.00 0.00 O ATOM 812 CB LEU A 53 5.387 11.449 5.322 1.00 0.00 C ATOM 813 CG LEU A 53 5.514 12.889 5.854 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.461 12.877 7.385 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.832 13.547 5.425 1.00 0.00 C ATOM 0 H LEU A 53 3.090 11.501 4.144 1.00 0.00 H new ATOM 0 HA LEU A 53 5.766 12.098 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.565 10.955 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.296 10.902 5.572 1.00 0.00 H new ATOM 0 HG LEU A 53 4.686 13.462 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.551 13.896 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.512 12.452 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.282 12.274 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.879 14.561 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.671 12.967 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.884 13.581 4.337 1.00 0.00 H new ATOM 827 N TYR A 54 6.691 9.854 2.713 1.00 0.00 N ATOM 828 CA TYR A 54 7.368 8.618 2.377 1.00 0.00 C ATOM 829 C TYR A 54 8.755 8.690 3.010 1.00 0.00 C ATOM 830 O TYR A 54 9.342 9.769 3.146 1.00 0.00 O ATOM 831 CB TYR A 54 7.472 8.445 0.849 1.00 0.00 C ATOM 832 CG TYR A 54 6.177 8.114 0.115 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.129 9.053 0.055 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.035 6.883 -0.554 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.933 8.754 -0.620 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.849 6.580 -1.248 1.00 0.00 C ATOM 837 CZ TYR A 54 3.787 7.511 -1.276 1.00 0.00 C ATOM 838 OH TYR A 54 2.638 7.201 -1.942 1.00 0.00 O ATOM 0 H TYR A 54 7.201 10.680 2.398 1.00 0.00 H new ATOM 0 HA TYR A 54 6.813 7.759 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.878 9.365 0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.193 7.654 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.246 10.014 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.842 6.166 -0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.127 9.473 -0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.751 5.634 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 54 2.718 6.306 -2.332 1.00 0.00 H new ATOM 848 N CYS A 55 9.270 7.540 3.431 1.00 0.00 N ATOM 849 CA CYS A 55 10.668 7.414 3.813 1.00 0.00 C ATOM 850 C CYS A 55 11.546 7.434 2.555 1.00 0.00 C ATOM 851 O CYS A 55 11.039 7.223 1.450 1.00 0.00 O ATOM 852 CB CYS A 55 10.884 6.136 4.630 1.00 0.00 C ATOM 853 SG CYS A 55 10.422 4.633 3.727 1.00 0.00 S ATOM 0 H CYS A 55 8.734 6.677 3.516 1.00 0.00 H new ATOM 0 HA CYS A 55 10.952 8.257 4.443 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.932 6.070 4.922 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.300 6.195 5.549 1.00 0.00 H new ATOM 0 HG CYS A 55 9.239 4.784 3.209 1.00 0.00 H new ATOM 859 N ILE A 56 12.856 7.625 2.719 1.00 0.00 N ATOM 860 CA ILE A 56 13.834 7.610 1.634 1.00 0.00 C ATOM 861 C ILE A 56 14.793 6.441 1.860 1.00 0.00 C ATOM 862 O ILE A 56 15.089 6.049 2.993 1.00 0.00 O ATOM 863 CB ILE A 56 14.621 8.950 1.569 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.684 10.174 1.442 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.642 8.971 0.402 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.360 11.480 1.871 1.00 0.00 C ATOM 0 H ILE A 56 13.275 7.798 3.633 1.00 0.00 H new ATOM 0 HA ILE A 56 13.315 7.490 0.683 1.00 0.00 H new ATOM 0 HB ILE A 56 15.161 9.017 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.349 10.265 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.795 10.012 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.168 9.926 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.360 8.162 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.116 8.840 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.658 12.306 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.671 11.404 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.233 11.661 1.244 1.00 0.00 H new ATOM 878 N ASN A 57 15.337 5.949 0.748 1.00 0.00 N ATOM 879 CA ASN A 57 16.453 5.026 0.617 1.00 0.00 C ATOM 880 C ASN A 57 16.124 3.616 1.068 1.00 0.00 C ATOM 881 O ASN A 57 16.113 2.720 0.228 1.00 0.00 O ATOM 882 CB ASN A 57 17.711 5.544 1.340 1.00 0.00 C ATOM 883 CG ASN A 57 18.889 4.663 0.967 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.343 3.830 1.744 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.370 4.812 -0.249 1.00 0.00 N ATOM 0 H ASN A 57 14.970 6.214 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 57 16.662 4.975 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.909 6.578 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.558 5.532 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.141 4.226 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.971 5.514 -0.873 1.00 0.00 H new ATOM 892 N ARG A 58 15.877 3.444 2.368 1.00 0.00 N ATOM 893 CA ARG A 58 15.600 2.182 3.045 1.00 0.00 C ATOM 894 C ARG A 58 15.182 2.393 4.506 1.00 0.00 C ATOM 895 O ARG A 58 14.926 1.397 5.184 1.00 0.00 O ATOM 896 CB ARG A 58 16.847 1.265 2.990 1.00 0.00 C ATOM 897 CG ARG A 58 17.997 1.706 3.916 1.00 0.00 C ATOM 898 CD ARG A 58 19.289 0.952 3.577 1.00 0.00 C ATOM 899 NE ARG A 58 20.333 1.165 4.596 1.00 0.00 N ATOM 900 CZ ARG A 58 21.198 2.187 4.660 1.00 0.00 C ATOM 901 NH1 ARG A 58 21.160 3.178 3.774 1.00 0.00 N ATOM 902 NH2 ARG A 58 22.117 2.204 5.622 1.00 0.00 N ATOM 0 H ARG A 58 15.865 4.234 3.014 1.00 0.00 H new ATOM 0 HA ARG A 58 14.768 1.709 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.550 0.251 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.214 1.231 1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.160 2.779 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.725 1.521 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.076 -0.114 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.657 1.281 2.605 1.00 0.00 H new ATOM 0 HE ARG A 58 20.405 0.460 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.464 3.169 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 58 21.827 3.947 3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 58 22.158 1.444 6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.780 2.977 5.680 1.00 0.00 H new ATOM 916 N GLU A 59 15.154 3.627 5.031 1.00 0.00 N ATOM 917 CA GLU A 59 15.022 3.860 6.467 1.00 0.00 C ATOM 918 C GLU A 59 14.062 5.010 6.755 1.00 0.00 C ATOM 919 O GLU A 59 14.033 6.020 6.054 1.00 0.00 O ATOM 920 CB GLU A 59 16.406 4.085 7.101 1.00 0.00 C ATOM 921 CG GLU A 59 17.142 5.357 6.641 1.00 0.00 C ATOM 922 CD GLU A 59 18.574 5.405 7.201 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.749 5.597 8.426 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.540 5.246 6.419 1.00 0.00 O ATOM 0 H GLU A 59 15.222 4.479 4.475 1.00 0.00 H new ATOM 0 HA GLU A 59 14.589 2.971 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.289 4.124 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.034 3.222 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.173 5.388 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.591 6.238 6.969 1.00 0.00 H new ATOM 931 N LYS A 60 13.272 4.839 7.817 1.00 0.00 N ATOM 932 CA LYS A 60 12.140 5.708 8.143 1.00 0.00 C ATOM 933 C LYS A 60 12.564 7.117 8.554 1.00 0.00 C ATOM 934 O LYS A 60 11.759 8.039 8.443 1.00 0.00 O ATOM 935 CB LYS A 60 11.270 5.075 9.245 1.00 0.00 C ATOM 936 CG LYS A 60 10.672 3.719 8.829 1.00 0.00 C ATOM 937 CD LYS A 60 9.666 3.219 9.876 1.00 0.00 C ATOM 938 CE LYS A 60 8.974 1.911 9.460 1.00 0.00 C ATOM 939 NZ LYS A 60 9.890 0.741 9.445 1.00 0.00 N ATOM 0 H LYS A 60 13.403 4.080 8.486 1.00 0.00 H new ATOM 0 HA LYS A 60 11.556 5.807 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.872 4.941 10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.462 5.760 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.178 3.816 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.470 2.987 8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.181 3.066 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.911 3.987 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.150 1.710 10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.540 2.037 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.364 -0.108 9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.663 0.914 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.285 0.597 10.396 1.00 0.00 H new ATOM 953 N LEU A 61 13.793 7.286 9.053 1.00 0.00 N ATOM 954 CA LEU A 61 14.262 8.554 9.605 1.00 0.00 C ATOM 955 C LEU A 61 14.339 9.633 8.531 1.00 0.00 C ATOM 956 O LEU A 61 14.074 10.801 8.811 1.00 0.00 O ATOM 957 CB LEU A 61 15.658 8.390 10.235 1.00 0.00 C ATOM 958 CG LEU A 61 15.778 7.293 11.309 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.191 7.312 11.890 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.739 7.456 12.422 1.00 0.00 C ATOM 0 H LEU A 61 14.490 6.542 9.084 1.00 0.00 H new ATOM 0 HA LEU A 61 13.543 8.856 10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.373 8.175 9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.951 9.342 10.679 1.00 0.00 H new ATOM 0 HG LEU A 61 15.583 6.331 10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.282 6.537 12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.914 7.127 11.095 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.387 8.286 12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.863 6.659 13.155 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.876 8.422 12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.737 7.403 11.995 1.00 0.00 H new ATOM 972 N HIS A 62 14.734 9.244 7.319 1.00 0.00 N ATOM 973 CA HIS A 62 14.905 10.157 6.200 1.00 0.00 C ATOM 974 C HIS A 62 13.557 10.258 5.493 1.00 0.00 C ATOM 975 O HIS A 62 13.039 9.232 5.054 1.00 0.00 O ATOM 976 CB HIS A 62 15.991 9.620 5.253 1.00 0.00 C ATOM 977 CG HIS A 62 17.355 9.404 5.874 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.393 8.702 5.301 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.804 9.851 7.091 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.435 8.727 6.148 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.126 9.421 7.261 1.00 0.00 N ATOM 0 H HIS A 62 14.946 8.273 7.089 1.00 0.00 H new ATOM 0 HA HIS A 62 15.225 11.144 6.536 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.648 8.673 4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.097 10.315 4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.234 10.436 7.798 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.389 8.256 5.963 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.731 9.597 8.063 1.00 0.00 H new ATOM 989 N THR A 63 12.983 11.456 5.368 1.00 0.00 N ATOM 990 CA THR A 63 11.611 11.627 4.913 1.00 0.00 C ATOM 991 C THR A 63 11.497 12.654 3.784 1.00 0.00 C ATOM 992 O THR A 63 12.297 13.589 3.658 1.00 0.00 O ATOM 993 CB THR A 63 10.745 12.018 6.122 1.00 0.00 C ATOM 994 OG1 THR A 63 11.320 13.117 6.810 1.00 0.00 O ATOM 995 CG2 THR A 63 10.629 10.857 7.109 1.00 0.00 C ATOM 0 H THR A 63 13.460 12.332 5.581 1.00 0.00 H new ATOM 0 HA THR A 63 11.256 10.686 4.492 1.00 0.00 H new ATOM 0 HB THR A 63 9.758 12.282 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.756 13.355 7.576 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.012 11.159 7.955 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.171 10.002 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.622 10.581 7.464 1.00 0.00 H new ATOM 1003 N VAL A 64 10.461 12.471 2.971 1.00 0.00 N ATOM 1004 CA VAL A 64 10.089 13.307 1.843 1.00 0.00 C ATOM 1005 C VAL A 64 8.559 13.358 1.822 1.00 0.00 C ATOM 1006 O VAL A 64 7.912 12.380 2.200 1.00 0.00 O ATOM 1007 CB VAL A 64 10.716 12.715 0.559 1.00 0.00 C ATOM 1008 CG1 VAL A 64 10.447 11.218 0.333 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.260 13.439 -0.702 1.00 0.00 C ATOM 0 H VAL A 64 9.822 11.686 3.093 1.00 0.00 H new ATOM 0 HA VAL A 64 10.462 14.328 1.917 1.00 0.00 H new ATOM 0 HB VAL A 64 11.783 12.855 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.927 10.898 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.850 10.646 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.373 11.048 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.730 12.983 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.176 13.364 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.547 14.489 -0.643 1.00 0.00 H new ATOM 1019 N LYS A 65 7.968 14.476 1.396 1.00 0.00 N ATOM 1020 CA LYS A 65 6.526 14.689 1.392 1.00 0.00 C ATOM 1021 C LYS A 65 6.094 14.976 -0.037 1.00 0.00 C ATOM 1022 O LYS A 65 6.674 15.845 -0.687 1.00 0.00 O ATOM 1023 CB LYS A 65 6.180 15.848 2.336 1.00 0.00 C ATOM 1024 CG LYS A 65 4.676 15.917 2.626 1.00 0.00 C ATOM 1025 CD LYS A 65 4.354 17.069 3.586 1.00 0.00 C ATOM 1026 CE LYS A 65 2.844 17.128 3.860 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.482 18.241 4.775 1.00 0.00 N ATOM 0 H LYS A 65 8.493 15.273 1.037 1.00 0.00 H new ATOM 0 HA LYS A 65 5.995 13.806 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.726 15.729 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.508 16.788 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.128 16.052 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.342 14.974 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.895 16.933 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.690 18.013 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.310 17.247 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.518 16.183 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.454 18.242 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.970 18.115 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.768 19.146 4.351 1.00 0.00 H new ATOM 1041 N VAL A 66 5.103 14.244 -0.535 1.00 0.00 N ATOM 1042 CA VAL A 66 4.579 14.438 -1.880 1.00 0.00 C ATOM 1043 C VAL A 66 3.847 15.782 -1.935 1.00 0.00 C ATOM 1044 O VAL A 66 3.192 16.179 -0.967 1.00 0.00 O ATOM 1045 CB VAL A 66 3.690 13.240 -2.283 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.063 13.406 -3.677 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.506 11.936 -2.289 1.00 0.00 C ATOM 0 H VAL A 66 4.640 13.498 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 66 5.387 14.474 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 66 2.893 13.199 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.450 12.535 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.442 14.301 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.853 13.500 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.862 11.105 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.325 12.023 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.910 11.755 -1.293 1.00 0.00 H new ATOM 1057 N LEU A 67 3.938 16.459 -3.082 1.00 0.00 N ATOM 1058 CA LEU A 67 3.241 17.711 -3.366 1.00 0.00 C ATOM 1059 C LEU A 67 2.257 17.471 -4.512 1.00 0.00 C ATOM 1060 O LEU A 67 1.083 17.819 -4.382 1.00 0.00 O ATOM 1061 CB LEU A 67 4.246 18.810 -3.756 1.00 0.00 C ATOM 1062 CG LEU A 67 5.358 19.082 -2.725 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.407 19.993 -3.362 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.841 19.703 -1.425 1.00 0.00 C ATOM 0 H LEU A 67 4.516 16.140 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 67 2.705 18.041 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.711 18.535 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.698 19.736 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 67 5.793 18.121 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.200 20.193 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.829 19.504 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.941 20.932 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.676 19.868 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.357 20.655 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.122 19.029 -0.961 1.00 0.00 H new ATOM 1076 N SER A 68 2.716 16.810 -5.582 1.00 0.00 N ATOM 1077 CA SER A 68 1.930 16.424 -6.751 1.00 0.00 C ATOM 1078 C SER A 68 2.576 15.176 -7.356 1.00 0.00 C ATOM 1079 O SER A 68 3.780 14.968 -7.191 1.00 0.00 O ATOM 1080 CB SER A 68 1.940 17.554 -7.798 1.00 0.00 C ATOM 1081 OG SER A 68 1.473 18.790 -7.275 1.00 0.00 O ATOM 0 H SER A 68 3.691 16.518 -5.656 1.00 0.00 H new ATOM 0 HA SER A 68 0.898 16.230 -6.458 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.954 17.684 -8.176 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.318 17.264 -8.645 1.00 0.00 H new ATOM 0 HG SER A 68 1.500 19.473 -7.977 1.00 0.00 H new ATOM 1087 N ALA A 69 1.819 14.361 -8.092 1.00 0.00 N ATOM 1088 CA ALA A 69 2.362 13.247 -8.859 1.00 0.00 C ATOM 1089 C ALA A 69 1.452 12.943 -10.048 1.00 0.00 C ATOM 1090 O ALA A 69 0.277 13.322 -10.051 1.00 0.00 O ATOM 1091 CB ALA A 69 2.530 12.017 -7.956 1.00 0.00 C ATOM 0 H ALA A 69 0.807 14.459 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 69 3.345 13.517 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.936 11.190 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.212 12.255 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.561 11.731 -7.547 1.00 0.00 H new ATOM 1097 N SER A 70 1.999 12.262 -11.055 1.00 0.00 N ATOM 1098 CA SER A 70 1.318 11.962 -12.317 1.00 0.00 C ATOM 1099 C SER A 70 1.905 10.703 -12.964 1.00 0.00 C ATOM 1100 O SER A 70 3.047 10.338 -12.685 1.00 0.00 O ATOM 1101 CB SER A 70 1.439 13.173 -13.263 1.00 0.00 C ATOM 1102 OG SER A 70 2.708 13.811 -13.178 1.00 0.00 O ATOM 0 H SER A 70 2.950 11.895 -11.016 1.00 0.00 H new ATOM 0 HA SER A 70 0.264 11.770 -12.118 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.269 12.846 -14.289 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.657 13.894 -13.025 1.00 0.00 H new ATOM 0 HG SER A 70 2.643 14.591 -12.588 1.00 0.00 H new ATOM 1108 N SER A 71 1.148 10.032 -13.835 1.00 0.00 N ATOM 1109 CA SER A 71 1.667 8.953 -14.675 1.00 0.00 C ATOM 1110 C SER A 71 2.790 9.500 -15.568 1.00 0.00 C ATOM 1111 O SER A 71 2.725 10.656 -15.998 1.00 0.00 O ATOM 1112 CB SER A 71 0.526 8.371 -15.519 1.00 0.00 C ATOM 1113 OG SER A 71 -0.584 8.033 -14.698 1.00 0.00 O ATOM 0 H SER A 71 0.156 10.223 -13.977 1.00 0.00 H new ATOM 0 HA SER A 71 2.076 8.157 -14.054 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.219 9.095 -16.274 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.875 7.485 -16.050 1.00 0.00 H new ATOM 0 HG SER A 71 -1.302 7.665 -15.254 1.00 0.00 H new ATOM 1119 N TYR A 72 3.828 8.699 -15.840 1.00 0.00 N ATOM 1120 CA TYR A 72 4.978 9.187 -16.591 1.00 0.00 C ATOM 1121 C TYR A 72 4.585 9.527 -18.030 1.00 0.00 C ATOM 1122 O TYR A 72 3.946 8.722 -18.714 1.00 0.00 O ATOM 1123 CB TYR A 72 6.138 8.183 -16.575 1.00 0.00 C ATOM 1124 CG TYR A 72 7.302 8.612 -17.453 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.247 9.540 -16.975 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.395 8.143 -18.780 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.276 9.999 -17.816 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.420 8.600 -19.627 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.367 9.535 -19.147 1.00 0.00 C ATOM 1130 OH TYR A 72 10.369 9.987 -19.952 1.00 0.00 O ATOM 0 H TYR A 72 3.890 7.722 -15.553 1.00 0.00 H new ATOM 0 HA TYR A 72 5.322 10.097 -16.099 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.489 8.057 -15.551 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.776 7.211 -16.910 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.181 9.900 -15.959 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.674 7.428 -19.148 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.999 10.709 -17.443 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.484 8.238 -20.642 1.00 0.00 H new ATOM 0 HH TYR A 72 10.702 10.843 -19.611 1.00 0.00 H new ATOM 1140 N SER A 73 5.054 10.690 -18.482 1.00 0.00 N ATOM 1141 CA SER A 73 5.041 11.155 -19.859 1.00 0.00 C ATOM 1142 C SER A 73 6.275 12.058 -20.006 1.00 0.00 C ATOM 1143 O SER A 73 6.581 12.783 -19.059 1.00 0.00 O ATOM 1144 CB SER A 73 3.760 11.949 -20.149 1.00 0.00 C ATOM 1145 OG SER A 73 2.594 11.147 -20.036 1.00 0.00 O ATOM 0 H SER A 73 5.479 11.371 -17.853 1.00 0.00 H new ATOM 0 HA SER A 73 5.065 10.322 -20.562 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.690 12.788 -19.457 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.814 12.368 -21.154 1.00 0.00 H new ATOM 0 HG SER A 73 1.802 11.692 -20.227 1.00 0.00 H new ATOM 1151 N PRO A 74 6.989 12.050 -21.146 1.00 0.00 N ATOM 1152 CA PRO A 74 8.282 12.718 -21.259 1.00 0.00 C ATOM 1153 C PRO A 74 8.183 14.236 -21.089 1.00 0.00 C ATOM 1154 O PRO A 74 8.953 14.831 -20.336 1.00 0.00 O ATOM 1155 CB PRO A 74 8.830 12.340 -22.640 1.00 0.00 C ATOM 1156 CG PRO A 74 7.619 11.828 -23.421 1.00 0.00 C ATOM 1157 CD PRO A 74 6.697 11.275 -22.341 1.00 0.00 C ATOM 0 HA PRO A 74 8.948 12.395 -20.459 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.283 13.200 -23.134 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.602 11.574 -22.562 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.140 12.628 -23.985 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.902 11.058 -24.138 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.651 11.377 -22.629 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.880 10.213 -22.175 1.00 0.00 H new ATOM 1165 N ASP A 75 7.228 14.871 -21.773 1.00 0.00 N ATOM 1166 CA ASP A 75 7.032 16.316 -21.675 1.00 0.00 C ATOM 1167 C ASP A 75 6.606 16.705 -20.261 1.00 0.00 C ATOM 1168 O ASP A 75 7.159 17.638 -19.684 1.00 0.00 O ATOM 1169 CB ASP A 75 5.990 16.789 -22.690 1.00 0.00 C ATOM 1170 CG ASP A 75 5.727 18.297 -22.538 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.581 19.108 -22.960 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.646 18.679 -22.035 1.00 0.00 O ATOM 0 H ASP A 75 6.577 14.403 -22.403 1.00 0.00 H new ATOM 0 HA ASP A 75 7.981 16.804 -21.899 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.337 16.576 -23.701 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.061 16.237 -22.549 1.00 0.00 H new ATOM 1177 N GLU A 76 5.663 15.958 -19.680 1.00 0.00 N ATOM 1178 CA GLU A 76 5.132 16.209 -18.343 1.00 0.00 C ATOM 1179 C GLU A 76 6.218 16.025 -17.271 1.00 0.00 C ATOM 1180 O GLU A 76 6.209 16.724 -16.255 1.00 0.00 O ATOM 1181 CB GLU A 76 3.947 15.259 -18.094 1.00 0.00 C ATOM 1182 CG GLU A 76 2.942 15.794 -17.066 1.00 0.00 C ATOM 1183 CD GLU A 76 1.975 16.818 -17.686 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.361 17.997 -17.844 1.00 0.00 O ATOM 1185 OE2 GLU A 76 0.818 16.455 -17.999 1.00 0.00 O ATOM 0 H GLU A 76 5.242 15.149 -20.136 1.00 0.00 H new ATOM 0 HA GLU A 76 4.791 17.242 -18.279 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.430 15.080 -19.037 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.328 14.297 -17.752 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.372 14.963 -16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.481 16.258 -16.240 1.00 0.00 H new ATOM 1192 N TRP A 77 7.150 15.093 -17.489 1.00 0.00 N ATOM 1193 CA TRP A 77 8.309 14.869 -16.645 1.00 0.00 C ATOM 1194 C TRP A 77 9.177 16.122 -16.663 1.00 0.00 C ATOM 1195 O TRP A 77 9.377 16.734 -15.613 1.00 0.00 O ATOM 1196 CB TRP A 77 9.052 13.608 -17.128 1.00 0.00 C ATOM 1197 CG TRP A 77 10.483 13.454 -16.716 1.00 0.00 C ATOM 1198 CD1 TRP A 77 10.954 13.523 -15.454 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.659 13.257 -17.564 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.328 13.400 -15.458 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.823 13.284 -16.739 1.00 0.00 C ATOM 1202 CE3 TRP A 77 11.864 13.093 -18.951 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.121 13.210 -17.270 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.160 12.988 -19.492 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.288 13.057 -18.655 1.00 0.00 C ATOM 0 H TRP A 77 7.110 14.457 -18.286 1.00 0.00 H new ATOM 0 HA TRP A 77 8.020 14.688 -15.610 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.503 12.736 -16.772 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.011 13.588 -18.217 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.346 13.655 -14.571 1.00 0.00 H new ATOM 0 HE1 TRP A 77 12.906 13.395 -14.617 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.010 13.047 -19.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.981 13.270 -16.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.288 12.854 -20.556 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.280 12.992 -19.077 1.00 0.00 H new ATOM 1216 N GLU A 78 9.651 16.542 -17.838 1.00 0.00 N ATOM 1217 CA GLU A 78 10.584 17.661 -17.924 1.00 0.00 C ATOM 1218 C GLU A 78 9.935 18.963 -17.455 1.00 0.00 C ATOM 1219 O GLU A 78 10.580 19.762 -16.776 1.00 0.00 O ATOM 1220 CB GLU A 78 11.155 17.791 -19.342 1.00 0.00 C ATOM 1221 CG GLU A 78 12.053 16.596 -19.691 1.00 0.00 C ATOM 1222 CD GLU A 78 12.796 16.812 -21.021 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.236 16.525 -22.103 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.961 17.272 -21.001 1.00 0.00 O ATOM 0 H GLU A 78 9.405 16.126 -18.736 1.00 0.00 H new ATOM 0 HA GLU A 78 11.417 17.456 -17.251 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.338 17.858 -20.061 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.727 18.715 -19.423 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.777 16.439 -18.891 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.447 15.692 -19.755 1.00 0.00 H new ATOM 1231 N ARG A 79 8.643 19.148 -17.740 1.00 0.00 N ATOM 1232 CA ARG A 79 7.851 20.271 -17.254 1.00 0.00 C ATOM 1233 C ARG A 79 7.927 20.353 -15.732 1.00 0.00 C ATOM 1234 O ARG A 79 8.263 21.409 -15.197 1.00 0.00 O ATOM 1235 CB ARG A 79 6.414 20.064 -17.748 1.00 0.00 C ATOM 1236 CG ARG A 79 5.438 21.187 -17.378 1.00 0.00 C ATOM 1237 CD ARG A 79 4.015 20.736 -17.727 1.00 0.00 C ATOM 1238 NE ARG A 79 3.035 21.819 -17.544 1.00 0.00 N ATOM 1239 CZ ARG A 79 1.703 21.670 -17.568 1.00 0.00 C ATOM 1240 NH1 ARG A 79 1.152 20.469 -17.728 1.00 0.00 N ATOM 1241 NH2 ARG A 79 0.921 22.737 -17.430 1.00 0.00 N ATOM 0 H ARG A 79 8.112 18.506 -18.327 1.00 0.00 H new ATOM 0 HA ARG A 79 8.233 21.218 -17.634 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.430 19.958 -18.833 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.037 19.126 -17.342 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.512 21.417 -16.315 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.689 22.099 -17.919 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.987 20.392 -18.761 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.739 19.887 -17.101 1.00 0.00 H new ATOM 0 HE ARG A 79 3.399 22.759 -17.386 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.745 19.646 -17.834 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.137 20.372 -17.744 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.336 23.661 -17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.093 22.632 -17.447 1.00 0.00 H new ATOM 1255 N GLN A 80 7.639 19.253 -15.032 1.00 0.00 N ATOM 1256 CA GLN A 80 7.651 19.235 -13.577 1.00 0.00 C ATOM 1257 C GLN A 80 9.070 19.436 -13.043 1.00 0.00 C ATOM 1258 O GLN A 80 9.239 20.149 -12.057 1.00 0.00 O ATOM 1259 CB GLN A 80 7.011 17.940 -13.052 1.00 0.00 C ATOM 1260 CG GLN A 80 5.485 17.984 -13.231 1.00 0.00 C ATOM 1261 CD GLN A 80 4.824 16.639 -12.937 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.398 16.357 -11.820 1.00 0.00 O ATOM 1263 NE2 GLN A 80 4.714 15.792 -13.945 1.00 0.00 N ATOM 0 H GLN A 80 7.394 18.360 -15.458 1.00 0.00 H new ATOM 0 HA GLN A 80 7.052 20.068 -13.209 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.421 17.082 -13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.256 17.807 -11.998 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.066 18.743 -12.570 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.250 18.285 -14.252 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.074 16.045 -14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.269 14.885 -13.803 1.00 0.00 H new ATOM 1272 N CYS A 81 10.101 18.893 -13.700 1.00 0.00 N ATOM 1273 CA CYS A 81 11.487 19.006 -13.237 1.00 0.00 C ATOM 1274 C CYS A 81 11.936 20.458 -13.071 1.00 0.00 C ATOM 1275 O CYS A 81 12.749 20.748 -12.193 1.00 0.00 O ATOM 1276 CB CYS A 81 12.435 18.316 -14.218 1.00 0.00 C ATOM 1277 SG CYS A 81 12.152 16.526 -14.223 1.00 0.00 S ATOM 0 H CYS A 81 9.998 18.364 -14.566 1.00 0.00 H new ATOM 0 HA CYS A 81 11.524 18.522 -12.261 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.285 18.717 -15.221 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.469 18.526 -13.943 1.00 0.00 H new ATOM 0 HG CYS A 81 11.011 16.269 -14.790 1.00 0.00 H new