USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 905 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 132 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.1!) USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0.944 USER MOD Set 2.2: A 93 THR OG1 : rot -66:sc= 1.11 USER MOD Set 3.1: A 90 SER OG : rot -81:sc= 1.17 USER MOD Set 3.2: A 107 THR OG1 : rot 180:sc= 1 USER MOD Set 4.1: A 55 THR OG1 : rot 41:sc= 0.956 USER MOD Set 4.2: A 69 LYS NZ :NH3+ 177:sc= 1.15 (180deg=0.0196) USER MOD Set 5.1: A 35 SER OG : rot -66:sc= 0.401 USER MOD Set 5.2: A 37 HIS : no HE2:sc= 1.19 K(o=1.6,f=-8.3!) USER MOD Set 6.1: A 27 GLN : amide:sc= 0.592 K(o=1.8,f=-2.5) USER MOD Set 6.2: A 48 GLN : amide:sc= 1.18 K(o=1.8,f=-1.4) USER MOD Single : A 5 SER OG : rot -30:sc= 0.0171 USER MOD Single : A 8 SER OG : rot -172:sc= 1.3 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.806 K(o=0.81,f=-0.62) USER MOD Single : A 24 SER OG : rot -27:sc= 0.672 USER MOD Single : A 26 TYR OH : rot 171:sc= 1.23 USER MOD Single : A 28 THR OG1 : rot -88:sc= 0.781 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 154:sc= 0.14 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 52 THR OG1 : rot 97:sc= 1.87 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0111 K(o=-0.011,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0.752 K(o=0.75,f=-1.4!) USER MOD Single : A 86 SER OG : rot -39:sc= 1.14 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0555 K(o=-0.056,f=-1.2) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -103:sc= 0.909 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.5! C(o=-1.5!,f=-8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0.554 K(o=0.55,f=-1.6!) USER MOD Single : A 140 LYS NZ :NH3+ -156:sc= 1.31 (180deg=1.22) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 HIS : no HE2:sc= -0.352 X(o=-0.35,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 9.458 0.667 6.090 1.00 0.00 N ATOM 61 CA SER A 5 10.711 0.740 6.832 1.00 0.00 C ATOM 62 C SER A 5 11.183 -0.645 7.254 1.00 0.00 C ATOM 63 O SER A 5 10.379 -1.565 7.406 1.00 0.00 O ATOM 64 CB SER A 5 10.543 1.622 8.054 1.00 0.00 C ATOM 65 OG SER A 5 9.673 1.034 8.981 1.00 0.00 O ATOM 0 HA SER A 5 11.466 1.172 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.514 1.794 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.156 2.596 7.754 1.00 0.00 H new ATOM 0 HG SER A 5 9.013 0.486 8.508 1.00 0.00 H new ATOM 71 N ALA A 6 12.490 -0.787 7.443 1.00 0.00 N ATOM 72 CA ALA A 6 13.059 -2.025 7.962 1.00 0.00 C ATOM 73 C ALA A 6 13.872 -1.770 9.225 1.00 0.00 C ATOM 74 O ALA A 6 15.015 -1.318 9.159 1.00 0.00 O ATOM 75 CB ALA A 6 13.923 -2.696 6.904 1.00 0.00 C ATOM 0 H ALA A 6 13.176 -0.059 7.244 1.00 0.00 H new ATOM 0 HA ALA A 6 12.236 -2.691 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.341 -3.619 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.315 -2.925 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.733 -2.026 6.617 1.00 0.00 H new ATOM 81 N VAL A 7 13.276 -2.063 10.376 1.00 0.00 N ATOM 82 CA VAL A 7 13.849 -1.672 11.658 1.00 0.00 C ATOM 83 C VAL A 7 14.260 -2.891 12.473 1.00 0.00 C ATOM 84 O VAL A 7 13.538 -3.887 12.524 1.00 0.00 O ATOM 85 CB VAL A 7 12.837 -0.836 12.463 1.00 0.00 C ATOM 86 CG1 VAL A 7 11.573 -1.640 12.727 1.00 0.00 C ATOM 87 CG2 VAL A 7 13.467 -0.377 13.769 1.00 0.00 C ATOM 0 H VAL A 7 12.394 -2.571 10.447 1.00 0.00 H new ATOM 0 HA VAL A 7 14.737 -1.074 11.455 1.00 0.00 H new ATOM 0 HB VAL A 7 12.562 0.044 11.881 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.869 -1.034 13.297 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.120 -1.927 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.824 -2.536 13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.745 0.214 14.333 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.762 -1.247 14.356 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.346 0.231 13.555 1.00 0.00 H new ATOM 97 N SER A 8 15.423 -2.806 13.110 1.00 0.00 N ATOM 98 CA SER A 8 15.867 -3.843 14.035 1.00 0.00 C ATOM 99 C SER A 8 16.715 -3.254 15.155 1.00 0.00 C ATOM 100 O SER A 8 17.557 -2.388 14.920 1.00 0.00 O ATOM 101 CB SER A 8 16.659 -4.901 13.292 1.00 0.00 C ATOM 102 OG SER A 8 17.105 -5.901 14.166 1.00 0.00 O ATOM 0 H SER A 8 16.076 -2.029 13.003 1.00 0.00 H new ATOM 0 HA SER A 8 14.982 -4.299 14.479 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.039 -5.344 12.513 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.513 -4.440 12.796 1.00 0.00 H new ATOM 0 HG SER A 8 17.710 -6.506 13.689 1.00 0.00 H new ATOM 108 N THR A 9 16.487 -3.731 16.375 1.00 0.00 N ATOM 109 CA THR A 9 17.218 -3.240 17.537 1.00 0.00 C ATOM 110 C THR A 9 18.101 -4.329 18.133 1.00 0.00 C ATOM 111 O THR A 9 17.633 -5.427 18.433 1.00 0.00 O ATOM 112 CB THR A 9 16.254 -2.710 18.615 1.00 0.00 C ATOM 113 OG1 THR A 9 15.477 -1.632 18.076 1.00 0.00 O ATOM 114 CG2 THR A 9 17.028 -2.215 19.827 1.00 0.00 C ATOM 0 H THR A 9 15.802 -4.457 16.584 1.00 0.00 H new ATOM 0 HA THR A 9 17.852 -2.421 17.197 1.00 0.00 H new ATOM 0 HB THR A 9 15.597 -3.523 18.924 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.863 -1.297 18.762 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.330 -1.844 20.578 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.611 -3.035 20.247 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.699 -1.410 19.526 1.00 0.00 H new ATOM 122 N VAL A 10 19.382 -4.018 18.301 1.00 0.00 N ATOM 123 CA VAL A 10 20.338 -4.976 18.845 1.00 0.00 C ATOM 124 C VAL A 10 21.039 -4.416 20.076 1.00 0.00 C ATOM 125 O VAL A 10 21.545 -3.294 20.057 1.00 0.00 O ATOM 126 CB VAL A 10 21.389 -5.344 17.781 1.00 0.00 C ATOM 127 CG1 VAL A 10 22.453 -6.254 18.377 1.00 0.00 C ATOM 128 CG2 VAL A 10 20.712 -6.012 16.594 1.00 0.00 C ATOM 0 H VAL A 10 19.782 -3.109 18.068 1.00 0.00 H new ATOM 0 HA VAL A 10 19.784 -5.869 19.136 1.00 0.00 H new ATOM 0 HB VAL A 10 21.878 -4.433 17.436 1.00 0.00 H new ATOM 0 HG11 VAL A 10 23.188 -6.504 17.612 1.00 0.00 H new ATOM 0 HG12 VAL A 10 22.948 -5.743 19.202 1.00 0.00 H new ATOM 0 HG13 VAL A 10 21.986 -7.168 18.744 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.461 -6.270 15.845 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.205 -6.918 16.927 1.00 0.00 H new ATOM 0 HG23 VAL A 10 19.984 -5.328 16.158 1.00 0.00 H new ATOM 138 N LEU A 11 21.066 -5.204 21.145 1.00 0.00 N ATOM 139 CA LEU A 11 21.773 -4.821 22.361 1.00 0.00 C ATOM 140 C LEU A 11 23.267 -5.089 22.237 1.00 0.00 C ATOM 141 O LEU A 11 23.681 -6.131 21.730 1.00 0.00 O ATOM 142 CB LEU A 11 21.208 -5.585 23.565 1.00 0.00 C ATOM 143 CG LEU A 11 19.728 -5.333 23.879 1.00 0.00 C ATOM 144 CD1 LEU A 11 19.292 -6.230 25.029 1.00 0.00 C ATOM 145 CD2 LEU A 11 19.524 -3.865 24.223 1.00 0.00 C ATOM 0 H LEU A 11 20.606 -6.113 21.194 1.00 0.00 H new ATOM 0 HA LEU A 11 21.627 -3.751 22.510 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.347 -6.652 23.392 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.796 -5.325 24.445 1.00 0.00 H new ATOM 0 HG LEU A 11 19.117 -5.570 23.008 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.240 -6.051 25.252 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.431 -7.274 24.749 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.893 -6.008 25.911 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.472 -3.686 24.446 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.128 -3.608 25.093 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.825 -3.248 23.377 1.00 0.00 H new ATOM 157 N ILE A 12 24.074 -4.141 22.704 1.00 0.00 N ATOM 158 CA ILE A 12 25.524 -4.256 22.612 1.00 0.00 C ATOM 159 C ILE A 12 26.184 -3.990 23.959 1.00 0.00 C ATOM 160 O ILE A 12 25.873 -3.005 24.629 1.00 0.00 O ATOM 161 CB ILE A 12 26.087 -3.282 21.562 1.00 0.00 C ATOM 162 CG1 ILE A 12 25.501 -3.588 20.181 1.00 0.00 C ATOM 163 CG2 ILE A 12 27.606 -3.355 21.528 1.00 0.00 C ATOM 164 CD1 ILE A 12 25.934 -2.618 19.106 1.00 0.00 C ATOM 0 H ILE A 12 23.747 -3.284 23.150 1.00 0.00 H new ATOM 0 HA ILE A 12 25.750 -5.278 22.307 1.00 0.00 H new ATOM 0 HB ILE A 12 25.799 -2.268 21.841 1.00 0.00 H new ATOM 0 HG12 ILE A 12 25.794 -4.596 19.887 1.00 0.00 H new ATOM 0 HG13 ILE A 12 24.413 -3.579 20.248 1.00 0.00 H new ATOM 0 HG21 ILE A 12 27.987 -2.660 20.780 1.00 0.00 H new ATOM 0 HG22 ILE A 12 28.005 -3.089 22.507 1.00 0.00 H new ATOM 0 HG23 ILE A 12 27.916 -4.368 21.273 1.00 0.00 H new ATOM 0 HD11 ILE A 12 25.479 -2.900 18.157 1.00 0.00 H new ATOM 0 HD12 ILE A 12 25.617 -1.611 19.376 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.019 -2.643 19.009 1.00 0.00 H new ATOM 176 N ASN A 13 27.096 -4.873 24.351 1.00 0.00 N ATOM 177 CA ASN A 13 27.829 -4.714 25.601 1.00 0.00 C ATOM 178 C ASN A 13 28.970 -3.716 25.448 1.00 0.00 C ATOM 179 O ASN A 13 30.142 -4.083 25.521 1.00 0.00 O ATOM 180 CB ASN A 13 28.353 -6.053 26.087 1.00 0.00 C ATOM 181 CG ASN A 13 27.251 -6.988 26.502 1.00 0.00 C ATOM 182 OD1 ASN A 13 26.265 -6.570 27.121 1.00 0.00 O ATOM 183 ND2 ASN A 13 27.398 -8.247 26.174 1.00 0.00 N ATOM 0 H ASN A 13 27.345 -5.707 23.820 1.00 0.00 H new ATOM 0 HA ASN A 13 27.138 -4.321 26.346 1.00 0.00 H new ATOM 0 HB2 ASN A 13 28.941 -6.518 25.296 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.025 -5.892 26.930 1.00 0.00 H new ATOM 0 HD21 ASN A 13 26.682 -8.927 26.429 1.00 0.00 H new ATOM 0 HD22 ASN A 13 28.228 -8.547 25.663 1.00 0.00 H new ATOM 190 N ALA A 14 28.619 -2.453 25.236 1.00 0.00 N ATOM 191 CA ALA A 14 29.613 -1.403 25.048 1.00 0.00 C ATOM 192 C ALA A 14 29.005 -0.023 25.265 1.00 0.00 C ATOM 193 O ALA A 14 27.816 0.187 25.025 1.00 0.00 O ATOM 194 CB ALA A 14 30.227 -1.497 23.658 1.00 0.00 C ATOM 0 H ALA A 14 27.652 -2.131 25.190 1.00 0.00 H new ATOM 0 HA ALA A 14 30.398 -1.546 25.791 1.00 0.00 H new ATOM 0 HB1 ALA A 14 30.967 -0.707 23.533 1.00 0.00 H new ATOM 0 HB2 ALA A 14 30.709 -2.467 23.538 1.00 0.00 H new ATOM 0 HB3 ALA A 14 29.445 -1.384 22.907 1.00 0.00 H new ATOM 200 N GLU A 15 29.828 0.915 25.721 1.00 0.00 N ATOM 201 CA GLU A 15 29.365 2.268 26.006 1.00 0.00 C ATOM 202 C GLU A 15 28.688 2.886 24.789 1.00 0.00 C ATOM 203 O GLU A 15 29.222 2.843 23.681 1.00 0.00 O ATOM 204 CB GLU A 15 30.533 3.149 26.454 1.00 0.00 C ATOM 205 CG GLU A 15 30.134 4.555 26.879 1.00 0.00 C ATOM 206 CD GLU A 15 31.292 5.360 27.399 1.00 0.00 C ATOM 207 OE1 GLU A 15 32.371 4.825 27.486 1.00 0.00 O ATOM 208 OE2 GLU A 15 31.097 6.511 27.710 1.00 0.00 O ATOM 0 H GLU A 15 30.820 0.763 25.901 1.00 0.00 H new ATOM 0 HA GLU A 15 28.634 2.207 26.812 1.00 0.00 H new ATOM 0 HB2 GLU A 15 31.041 2.662 27.286 1.00 0.00 H new ATOM 0 HB3 GLU A 15 31.252 3.220 25.638 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.690 5.074 26.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 29.366 4.492 27.650 1.00 0.00 H new ATOM 215 N PRO A 16 27.509 3.461 25.002 1.00 0.00 N ATOM 216 CA PRO A 16 26.746 4.069 23.919 1.00 0.00 C ATOM 217 C PRO A 16 27.595 5.065 23.139 1.00 0.00 C ATOM 218 O PRO A 16 27.521 5.130 21.911 1.00 0.00 O ATOM 219 CB PRO A 16 25.595 4.763 24.655 1.00 0.00 C ATOM 220 CG PRO A 16 25.372 3.919 25.863 1.00 0.00 C ATOM 221 CD PRO A 16 26.755 3.505 26.292 1.00 0.00 C ATOM 0 HA PRO A 16 26.402 3.349 23.176 1.00 0.00 H new ATOM 0 HB2 PRO A 16 25.855 5.786 24.926 1.00 0.00 H new ATOM 0 HB3 PRO A 16 24.700 4.816 24.035 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.863 4.477 26.649 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.751 3.053 25.633 1.00 0.00 H new ATOM 0 HD2 PRO A 16 27.192 4.219 26.990 1.00 0.00 H new ATOM 0 HD3 PRO A 16 26.750 2.535 26.790 1.00 0.00 H new ATOM 229 N ALA A 17 28.400 5.839 23.857 1.00 0.00 N ATOM 230 CA ALA A 17 29.265 6.833 23.233 1.00 0.00 C ATOM 231 C ALA A 17 30.308 6.173 22.340 1.00 0.00 C ATOM 232 O ALA A 17 30.589 6.649 21.241 1.00 0.00 O ATOM 233 CB ALA A 17 29.943 7.687 24.295 1.00 0.00 C ATOM 0 H ALA A 17 28.472 5.797 24.874 1.00 0.00 H new ATOM 0 HA ALA A 17 28.643 7.474 22.608 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.585 8.424 23.813 1.00 0.00 H new ATOM 0 HB2 ALA A 17 29.185 8.198 24.889 1.00 0.00 H new ATOM 0 HB3 ALA A 17 30.544 7.051 24.944 1.00 0.00 H new ATOM 239 N ALA A 18 30.879 5.073 22.820 1.00 0.00 N ATOM 240 CA ALA A 18 31.855 4.316 22.044 1.00 0.00 C ATOM 241 C ALA A 18 31.214 3.694 20.810 1.00 0.00 C ATOM 242 O ALA A 18 31.809 3.677 19.732 1.00 0.00 O ATOM 243 CB ALA A 18 32.497 3.239 22.907 1.00 0.00 C ATOM 0 H ALA A 18 30.683 4.686 23.743 1.00 0.00 H new ATOM 0 HA ALA A 18 32.629 5.007 21.709 1.00 0.00 H new ATOM 0 HB1 ALA A 18 33.223 2.682 22.314 1.00 0.00 H new ATOM 0 HB2 ALA A 18 33.001 3.704 23.754 1.00 0.00 H new ATOM 0 HB3 ALA A 18 31.728 2.558 23.271 1.00 0.00 H new ATOM 249 N VAL A 19 29.999 3.182 20.975 1.00 0.00 N ATOM 250 CA VAL A 19 29.255 2.603 19.863 1.00 0.00 C ATOM 251 C VAL A 19 28.867 3.669 18.845 1.00 0.00 C ATOM 252 O VAL A 19 28.931 3.440 17.637 1.00 0.00 O ATOM 253 CB VAL A 19 27.983 1.903 20.378 1.00 0.00 C ATOM 254 CG1 VAL A 19 27.101 1.478 19.214 1.00 0.00 C ATOM 255 CG2 VAL A 19 28.363 0.704 21.233 1.00 0.00 C ATOM 0 H VAL A 19 29.508 3.156 21.869 1.00 0.00 H new ATOM 0 HA VAL A 19 29.902 1.874 19.376 1.00 0.00 H new ATOM 0 HB VAL A 19 27.417 2.604 20.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 26.207 0.985 19.596 1.00 0.00 H new ATOM 0 HG12 VAL A 19 26.813 2.356 18.636 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.651 0.788 18.574 1.00 0.00 H new ATOM 0 HG21 VAL A 19 27.459 0.213 21.594 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.944 0.001 20.636 1.00 0.00 H new ATOM 0 HG23 VAL A 19 28.959 1.037 22.083 1.00 0.00 H new ATOM 265 N LEU A 20 28.465 4.834 19.341 1.00 0.00 N ATOM 266 CA LEU A 20 28.157 5.969 18.478 1.00 0.00 C ATOM 267 C LEU A 20 29.341 6.318 17.585 1.00 0.00 C ATOM 268 O LEU A 20 29.192 6.480 16.374 1.00 0.00 O ATOM 269 CB LEU A 20 27.769 7.188 19.323 1.00 0.00 C ATOM 270 CG LEU A 20 27.426 8.460 18.538 1.00 0.00 C ATOM 271 CD1 LEU A 20 26.215 8.199 17.652 1.00 0.00 C ATOM 272 CD2 LEU A 20 27.157 9.600 19.509 1.00 0.00 C ATOM 0 H LEU A 20 28.345 5.017 20.337 1.00 0.00 H new ATOM 0 HA LEU A 20 27.317 5.688 17.842 1.00 0.00 H new ATOM 0 HB2 LEU A 20 26.911 6.921 19.940 1.00 0.00 H new ATOM 0 HB3 LEU A 20 28.592 7.413 20.002 1.00 0.00 H new ATOM 0 HG LEU A 20 28.264 8.742 17.901 1.00 0.00 H new ATOM 0 HD11 LEU A 20 25.971 9.103 17.094 1.00 0.00 H new ATOM 0 HD12 LEU A 20 26.441 7.392 16.955 1.00 0.00 H new ATOM 0 HD13 LEU A 20 25.365 7.915 18.272 1.00 0.00 H new ATOM 0 HD21 LEU A 20 26.913 10.504 18.951 1.00 0.00 H new ATOM 0 HD22 LEU A 20 26.320 9.337 20.156 1.00 0.00 H new ATOM 0 HD23 LEU A 20 28.044 9.777 20.117 1.00 0.00 H new ATOM 284 N ALA A 21 30.519 6.433 18.191 1.00 0.00 N ATOM 285 CA ALA A 21 31.743 6.691 17.442 1.00 0.00 C ATOM 286 C ALA A 21 32.028 5.572 16.450 1.00 0.00 C ATOM 287 O ALA A 21 32.432 5.824 15.314 1.00 0.00 O ATOM 288 CB ALA A 21 32.918 6.867 18.393 1.00 0.00 C ATOM 0 H ALA A 21 30.651 6.351 19.199 1.00 0.00 H new ATOM 0 HA ALA A 21 31.604 7.613 16.878 1.00 0.00 H new ATOM 0 HB1 ALA A 21 33.825 7.059 17.819 1.00 0.00 H new ATOM 0 HB2 ALA A 21 32.725 7.708 19.058 1.00 0.00 H new ATOM 0 HB3 ALA A 21 33.047 5.960 18.983 1.00 0.00 H new ATOM 294 N ALA A 22 31.816 4.334 16.884 1.00 0.00 N ATOM 295 CA ALA A 22 32.012 3.175 16.022 1.00 0.00 C ATOM 296 C ALA A 22 31.112 3.243 14.795 1.00 0.00 C ATOM 297 O ALA A 22 31.529 2.902 13.688 1.00 0.00 O ATOM 298 CB ALA A 22 31.755 1.890 16.795 1.00 0.00 C ATOM 0 H ALA A 22 31.508 4.108 17.830 1.00 0.00 H new ATOM 0 HA ALA A 22 33.047 3.181 15.682 1.00 0.00 H new ATOM 0 HB1 ALA A 22 31.905 1.034 16.138 1.00 0.00 H new ATOM 0 HB2 ALA A 22 32.445 1.827 17.636 1.00 0.00 H new ATOM 0 HB3 ALA A 22 30.730 1.887 17.166 1.00 0.00 H new ATOM 304 N ILE A 23 29.876 3.686 14.997 1.00 0.00 N ATOM 305 CA ILE A 23 28.937 3.866 13.897 1.00 0.00 C ATOM 306 C ILE A 23 29.402 4.964 12.949 1.00 0.00 C ATOM 307 O ILE A 23 29.298 4.830 11.730 1.00 0.00 O ATOM 308 CB ILE A 23 27.531 4.204 14.425 1.00 0.00 C ATOM 309 CG1 ILE A 23 26.936 3.003 15.166 1.00 0.00 C ATOM 310 CG2 ILE A 23 26.622 4.632 13.282 1.00 0.00 C ATOM 311 CD1 ILE A 23 25.707 3.337 15.981 1.00 0.00 C ATOM 0 H ILE A 23 29.501 3.927 15.914 1.00 0.00 H new ATOM 0 HA ILE A 23 28.895 2.925 13.349 1.00 0.00 H new ATOM 0 HB ILE A 23 27.614 5.034 15.126 1.00 0.00 H new ATOM 0 HG12 ILE A 23 26.681 2.230 14.441 1.00 0.00 H new ATOM 0 HG13 ILE A 23 27.695 2.583 15.826 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.632 4.867 13.673 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.039 5.514 12.796 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.543 3.822 12.557 1.00 0.00 H new ATOM 0 HD11 ILE A 23 25.343 2.437 16.476 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.960 4.086 16.731 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.930 3.729 15.324 1.00 0.00 H new ATOM 323 N SER A 24 29.914 6.051 13.517 1.00 0.00 N ATOM 324 CA SER A 24 30.333 7.202 12.727 1.00 0.00 C ATOM 325 C SER A 24 31.709 6.978 12.113 1.00 0.00 C ATOM 326 O SER A 24 32.159 7.758 11.274 1.00 0.00 O ATOM 327 CB SER A 24 30.352 8.449 13.591 1.00 0.00 C ATOM 328 OG SER A 24 31.396 8.396 14.525 1.00 0.00 O ATOM 0 H SER A 24 30.049 6.158 14.522 1.00 0.00 H new ATOM 0 HA SER A 24 29.615 7.333 11.917 1.00 0.00 H new ATOM 0 HB2 SER A 24 30.467 9.331 12.961 1.00 0.00 H new ATOM 0 HB3 SER A 24 29.399 8.551 14.110 1.00 0.00 H new ATOM 0 HG SER A 24 31.605 7.461 14.729 1.00 0.00 H new ATOM 334 N ASP A 25 32.373 5.908 12.536 1.00 0.00 N ATOM 335 CA ASP A 25 33.660 5.530 11.966 1.00 0.00 C ATOM 336 C ASP A 25 33.480 4.668 10.723 1.00 0.00 C ATOM 337 O ASP A 25 33.235 3.466 10.819 1.00 0.00 O ATOM 338 CB ASP A 25 34.504 4.777 12.998 1.00 0.00 C ATOM 339 CG ASP A 25 35.855 4.337 12.451 1.00 0.00 C ATOM 340 OD1 ASP A 25 35.965 4.167 11.259 1.00 0.00 O ATOM 341 OD2 ASP A 25 36.764 4.175 13.229 1.00 0.00 O ATOM 0 H ASP A 25 32.040 5.286 13.273 1.00 0.00 H new ATOM 0 HA ASP A 25 34.176 6.446 11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 25 34.660 5.415 13.868 1.00 0.00 H new ATOM 0 HB3 ASP A 25 33.954 3.901 13.341 1.00 0.00 H new ATOM 346 N TYR A 26 33.604 5.290 9.555 1.00 0.00 N ATOM 347 CA TYR A 26 33.342 4.609 8.293 1.00 0.00 C ATOM 348 C TYR A 26 34.637 4.148 7.637 1.00 0.00 C ATOM 349 O TYR A 26 34.687 3.927 6.427 1.00 0.00 O ATOM 350 CB TYR A 26 32.563 5.523 7.343 1.00 0.00 C ATOM 351 CG TYR A 26 31.127 5.752 7.759 1.00 0.00 C ATOM 352 CD1 TYR A 26 30.815 6.774 8.644 1.00 0.00 C ATOM 353 CD2 TYR A 26 30.121 4.941 7.254 1.00 0.00 C ATOM 354 CE1 TYR A 26 29.504 6.983 9.023 1.00 0.00 C ATOM 355 CE2 TYR A 26 28.809 5.150 7.634 1.00 0.00 C ATOM 356 CZ TYR A 26 28.500 6.167 8.514 1.00 0.00 C ATOM 357 OH TYR A 26 27.193 6.375 8.892 1.00 0.00 O ATOM 0 H TYR A 26 33.885 6.266 9.457 1.00 0.00 H new ATOM 0 HA TYR A 26 32.738 3.727 8.508 1.00 0.00 H new ATOM 0 HB2 TYR A 26 33.072 6.485 7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 26 32.577 5.089 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 26 31.598 7.406 9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 26 30.363 4.146 6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 26 29.259 7.778 9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 26 28.026 4.518 7.242 1.00 0.00 H new ATOM 0 HH TYR A 26 26.601 5.820 8.342 1.00 0.00 H new ATOM 367 N GLN A 27 35.684 4.003 8.443 1.00 0.00 N ATOM 368 CA GLN A 27 37.015 3.714 7.925 1.00 0.00 C ATOM 369 C GLN A 27 37.553 2.405 8.488 1.00 0.00 C ATOM 370 O GLN A 27 38.095 1.578 7.755 1.00 0.00 O ATOM 371 CB GLN A 27 37.978 4.858 8.252 1.00 0.00 C ATOM 372 CG GLN A 27 37.685 6.150 7.508 1.00 0.00 C ATOM 373 CD GLN A 27 38.686 7.243 7.830 1.00 0.00 C ATOM 374 OE1 GLN A 27 39.536 7.086 8.711 1.00 0.00 O ATOM 375 NE2 GLN A 27 38.591 8.360 7.118 1.00 0.00 N ATOM 0 H GLN A 27 35.635 4.081 9.459 1.00 0.00 H new ATOM 0 HA GLN A 27 36.935 3.615 6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 27 37.942 5.053 9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 27 38.994 4.540 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 27 37.694 5.958 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 27 36.682 6.493 7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 27 37.873 8.447 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 27 39.236 9.131 7.290 1.00 0.00 H new ATOM 384 N THR A 28 37.401 2.222 9.796 1.00 0.00 N ATOM 385 CA THR A 28 38.038 1.112 10.494 1.00 0.00 C ATOM 386 C THR A 28 37.002 0.167 11.089 1.00 0.00 C ATOM 387 O THR A 28 37.304 -0.986 11.396 1.00 0.00 O ATOM 388 CB THR A 28 38.973 1.621 11.606 1.00 0.00 C ATOM 389 OG1 THR A 28 38.197 2.237 12.642 1.00 0.00 O ATOM 390 CG2 THR A 28 39.963 2.633 11.050 1.00 0.00 C ATOM 0 H THR A 28 36.841 2.830 10.394 1.00 0.00 H new ATOM 0 HA THR A 28 38.629 0.565 9.759 1.00 0.00 H new ATOM 0 HB THR A 28 39.525 0.773 12.011 1.00 0.00 H new ATOM 0 HG1 THR A 28 38.059 3.184 12.429 1.00 0.00 H new ATOM 0 HG21 THR A 28 40.615 2.981 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 28 40.564 2.164 10.271 1.00 0.00 H new ATOM 0 HG23 THR A 28 39.420 3.480 10.630 1.00 0.00 H new ATOM 398 N VAL A 29 35.780 0.663 11.248 1.00 0.00 N ATOM 399 CA VAL A 29 34.721 -0.103 11.894 1.00 0.00 C ATOM 400 C VAL A 29 33.682 -0.570 10.882 1.00 0.00 C ATOM 401 O VAL A 29 33.499 -1.769 10.673 1.00 0.00 O ATOM 402 CB VAL A 29 34.031 0.746 12.978 1.00 0.00 C ATOM 403 CG1 VAL A 29 32.851 -0.006 13.574 1.00 0.00 C ATOM 404 CG2 VAL A 29 35.034 1.120 14.059 1.00 0.00 C ATOM 0 H VAL A 29 35.498 1.593 10.938 1.00 0.00 H new ATOM 0 HA VAL A 29 35.180 -0.979 12.353 1.00 0.00 H new ATOM 0 HB VAL A 29 33.652 1.661 12.522 1.00 0.00 H new ATOM 0 HG11 VAL A 29 32.376 0.609 14.338 1.00 0.00 H new ATOM 0 HG12 VAL A 29 32.129 -0.231 12.789 1.00 0.00 H new ATOM 0 HG13 VAL A 29 33.201 -0.936 14.023 1.00 0.00 H new ATOM 0 HG21 VAL A 29 34.539 1.720 14.822 1.00 0.00 H new ATOM 0 HG22 VAL A 29 35.434 0.214 14.513 1.00 0.00 H new ATOM 0 HG23 VAL A 29 35.848 1.694 13.617 1.00 0.00 H new ATOM 414 N ARG A 30 33.004 0.385 10.254 1.00 0.00 N ATOM 415 CA ARG A 30 31.797 0.093 9.492 1.00 0.00 C ATOM 416 C ARG A 30 32.091 -0.855 8.336 1.00 0.00 C ATOM 417 O ARG A 30 31.332 -1.790 8.079 1.00 0.00 O ATOM 418 CB ARG A 30 31.183 1.375 8.948 1.00 0.00 C ATOM 419 CG ARG A 30 30.510 2.253 9.991 1.00 0.00 C ATOM 420 CD ARG A 30 29.317 1.592 10.578 1.00 0.00 C ATOM 421 NE ARG A 30 28.298 1.321 9.576 1.00 0.00 N ATOM 422 CZ ARG A 30 27.334 2.188 9.212 1.00 0.00 C ATOM 423 NH1 ARG A 30 27.269 3.375 9.774 1.00 0.00 N ATOM 424 NH2 ARG A 30 26.452 1.846 8.288 1.00 0.00 N ATOM 0 H ARG A 30 33.271 1.369 10.258 1.00 0.00 H new ATOM 0 HA ARG A 30 31.091 -0.387 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 30 31.964 1.954 8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 30 30.450 1.114 8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 30 31.222 2.489 10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 30 30.215 3.198 9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 30 29.617 0.658 11.053 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.898 2.226 11.359 1.00 0.00 H new ATOM 0 HE ARG A 30 28.315 0.410 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.949 3.640 10.486 1.00 0.00 H new ATOM 0 HH12 ARG A 30 26.538 4.031 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 30 26.502 0.926 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 30 25.722 2.503 8.012 1.00 0.00 H new ATOM 438 N PRO A 31 33.197 -0.609 7.643 1.00 0.00 N ATOM 439 CA PRO A 31 33.561 -1.401 6.474 1.00 0.00 C ATOM 440 C PRO A 31 34.291 -2.675 6.877 1.00 0.00 C ATOM 441 O PRO A 31 34.797 -3.408 6.027 1.00 0.00 O ATOM 442 CB PRO A 31 34.471 -0.454 5.685 1.00 0.00 C ATOM 443 CG PRO A 31 35.210 0.303 6.736 1.00 0.00 C ATOM 444 CD PRO A 31 34.184 0.550 7.810 1.00 0.00 C ATOM 0 HA PRO A 31 32.700 -1.740 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 31 35.153 -1.005 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 31 33.893 0.213 5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 31 36.055 -0.269 7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 31 35.609 1.239 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 31 34.635 0.552 8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 31 33.694 1.515 7.681 1.00 0.00 H new ATOM 452 N LYS A 32 34.344 -2.935 8.179 1.00 0.00 N ATOM 453 CA LYS A 32 34.900 -4.182 8.690 1.00 0.00 C ATOM 454 C LYS A 32 33.819 -5.048 9.325 1.00 0.00 C ATOM 455 O LYS A 32 34.091 -6.155 9.788 1.00 0.00 O ATOM 456 CB LYS A 32 36.009 -3.898 9.704 1.00 0.00 C ATOM 457 CG LYS A 32 37.170 -3.080 9.154 1.00 0.00 C ATOM 458 CD LYS A 32 37.882 -3.818 8.030 1.00 0.00 C ATOM 459 CE LYS A 32 39.092 -3.039 7.535 1.00 0.00 C ATOM 460 NZ LYS A 32 39.788 -3.741 6.423 1.00 0.00 N ATOM 0 H LYS A 32 34.008 -2.297 8.901 1.00 0.00 H new ATOM 0 HA LYS A 32 35.323 -4.729 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 32 35.580 -3.370 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 32 36.394 -4.847 10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 32 36.801 -2.122 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 32 37.877 -2.864 9.955 1.00 0.00 H new ATOM 0 HD2 LYS A 32 38.198 -4.800 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 32 37.190 -3.982 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 32 38.775 -2.052 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 39.788 -2.887 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 40.606 -3.178 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.113 -4.673 6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 39.132 -3.864 5.625 1.00 0.00 H new ATOM 474 N ILE A 33 32.593 -4.537 9.342 1.00 0.00 N ATOM 475 CA ILE A 33 31.468 -5.263 9.919 1.00 0.00 C ATOM 476 C ILE A 33 30.394 -5.535 8.874 1.00 0.00 C ATOM 477 O ILE A 33 29.260 -5.876 9.210 1.00 0.00 O ATOM 478 CB ILE A 33 30.855 -4.482 11.095 1.00 0.00 C ATOM 479 CG1 ILE A 33 30.346 -3.118 10.622 1.00 0.00 C ATOM 480 CG2 ILE A 33 31.874 -4.315 12.212 1.00 0.00 C ATOM 481 CD1 ILE A 33 29.484 -2.402 11.637 1.00 0.00 C ATOM 0 H ILE A 33 32.353 -3.621 8.962 1.00 0.00 H new ATOM 0 HA ILE A 33 31.850 -6.216 10.285 1.00 0.00 H new ATOM 0 HB ILE A 33 30.009 -5.049 11.484 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.200 -2.487 10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.774 -3.253 9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.424 -3.761 13.035 1.00 0.00 H new ATOM 0 HG22 ILE A 33 32.191 -5.296 12.565 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.739 -3.768 11.837 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.162 -1.444 11.229 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.610 -3.011 11.866 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.058 -2.234 12.548 1.00 0.00 H new ATOM 493 N LEU A 34 30.758 -5.384 7.605 1.00 0.00 N ATOM 494 CA LEU A 34 29.815 -5.574 6.510 1.00 0.00 C ATOM 495 C LEU A 34 29.660 -7.049 6.165 1.00 0.00 C ATOM 496 O LEU A 34 30.592 -7.836 6.332 1.00 0.00 O ATOM 497 CB LEU A 34 30.280 -4.799 5.270 1.00 0.00 C ATOM 498 CG LEU A 34 30.388 -3.278 5.438 1.00 0.00 C ATOM 499 CD1 LEU A 34 30.845 -2.653 4.127 1.00 0.00 C ATOM 500 CD2 LEU A 34 29.041 -2.717 5.870 1.00 0.00 C ATOM 0 H LEU A 34 31.701 -5.130 7.310 1.00 0.00 H new ATOM 0 HA LEU A 34 28.846 -5.193 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 34 31.255 -5.183 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 34 29.589 -5.008 4.453 1.00 0.00 H new ATOM 0 HG LEU A 34 31.122 -3.040 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 34 30.922 -1.572 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 31.819 -3.058 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 34 30.122 -2.881 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 34 29.118 -1.636 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 34 28.292 -2.946 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 34 28.747 -3.167 6.818 1.00 0.00 H new ATOM 512 N SER A 35 28.478 -7.419 5.684 1.00 0.00 N ATOM 513 CA SER A 35 28.209 -8.795 5.287 1.00 0.00 C ATOM 514 C SER A 35 28.717 -9.071 3.878 1.00 0.00 C ATOM 515 O SER A 35 29.287 -8.194 3.230 1.00 0.00 O ATOM 516 CB SER A 35 26.721 -9.079 5.362 1.00 0.00 C ATOM 517 OG SER A 35 26.045 -8.509 4.275 1.00 0.00 O ATOM 0 H SER A 35 27.690 -6.783 5.560 1.00 0.00 H new ATOM 0 HA SER A 35 28.738 -9.453 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.553 -10.156 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.318 -8.682 6.294 1.00 0.00 H new ATOM 0 HG SER A 35 26.098 -7.532 4.332 1.00 0.00 H new ATOM 523 N SER A 36 28.505 -10.296 3.407 1.00 0.00 N ATOM 524 CA SER A 36 28.981 -10.704 2.091 1.00 0.00 C ATOM 525 C SER A 36 28.154 -10.063 0.984 1.00 0.00 C ATOM 526 O SER A 36 28.479 -10.185 -0.197 1.00 0.00 O ATOM 527 CB SER A 36 28.932 -12.214 1.962 1.00 0.00 C ATOM 528 OG SER A 36 27.609 -12.676 1.978 1.00 0.00 O ATOM 0 H SER A 36 28.006 -11.024 3.918 1.00 0.00 H new ATOM 0 HA SER A 36 30.012 -10.366 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 36 29.417 -12.519 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 36 29.491 -12.671 2.779 1.00 0.00 H new ATOM 0 HG SER A 36 27.602 -13.652 1.892 1.00 0.00 H new ATOM 534 N HIS A 37 27.082 -9.381 1.372 1.00 0.00 N ATOM 535 CA HIS A 37 26.227 -8.688 0.416 1.00 0.00 C ATOM 536 C HIS A 37 26.843 -7.363 -0.015 1.00 0.00 C ATOM 537 O HIS A 37 26.420 -6.762 -1.003 1.00 0.00 O ATOM 538 CB HIS A 37 24.837 -8.442 1.011 1.00 0.00 C ATOM 539 CG HIS A 37 24.040 -9.692 1.215 1.00 0.00 C ATOM 540 ND1 HIS A 37 23.472 -10.391 0.170 1.00 0.00 N ATOM 541 CD2 HIS A 37 23.715 -10.369 2.341 1.00 0.00 C ATOM 542 CE1 HIS A 37 22.832 -11.445 0.646 1.00 0.00 C ATOM 543 NE2 HIS A 37 22.964 -11.454 1.959 1.00 0.00 N ATOM 0 H HIS A 37 26.784 -9.293 2.344 1.00 0.00 H new ATOM 0 HA HIS A 37 26.131 -9.328 -0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 37 24.946 -7.931 1.968 1.00 0.00 H new ATOM 0 HB3 HIS A 37 24.283 -7.772 0.353 1.00 0.00 H new ATOM 0 HD1 HIS A 37 23.536 -10.135 -0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 37 23.994 -10.106 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 37 22.293 -12.175 0.060 1.00 0.00 H new ATOM 551 N TYR A 38 27.844 -6.911 0.733 1.00 0.00 N ATOM 552 CA TYR A 38 28.490 -5.633 0.458 1.00 0.00 C ATOM 553 C TYR A 38 29.735 -5.818 -0.400 1.00 0.00 C ATOM 554 O TYR A 38 30.522 -6.738 -0.178 1.00 0.00 O ATOM 555 CB TYR A 38 28.847 -4.921 1.765 1.00 0.00 C ATOM 556 CG TYR A 38 27.644 -4.481 2.569 1.00 0.00 C ATOM 557 CD1 TYR A 38 26.974 -5.394 3.370 1.00 0.00 C ATOM 558 CD2 TYR A 38 27.210 -3.165 2.505 1.00 0.00 C ATOM 559 CE1 TYR A 38 25.875 -4.992 4.105 1.00 0.00 C ATOM 560 CE2 TYR A 38 26.111 -2.763 3.239 1.00 0.00 C ATOM 561 CZ TYR A 38 25.445 -3.671 4.036 1.00 0.00 C ATOM 562 OH TYR A 38 24.350 -3.271 4.768 1.00 0.00 O ATOM 0 H TYR A 38 28.226 -7.412 1.535 1.00 0.00 H new ATOM 0 HA TYR A 38 27.785 -5.015 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 38 29.457 -5.587 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 38 29.459 -4.048 1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 38 27.311 -6.419 3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 38 27.732 -2.454 1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 38 25.352 -5.701 4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 38 25.773 -1.738 3.189 1.00 0.00 H new ATOM 0 HH TYR A 38 24.181 -2.319 4.610 1.00 0.00 H new ATOM 572 N SER A 39 29.908 -4.938 -1.381 1.00 0.00 N ATOM 573 CA SER A 39 31.087 -4.969 -2.238 1.00 0.00 C ATOM 574 C SER A 39 31.333 -3.611 -2.884 1.00 0.00 C ATOM 575 O SER A 39 30.391 -2.887 -3.207 1.00 0.00 O ATOM 576 CB SER A 39 30.925 -6.028 -3.311 1.00 0.00 C ATOM 577 OG SER A 39 32.040 -6.058 -4.159 1.00 0.00 O ATOM 0 H SER A 39 29.246 -4.194 -1.602 1.00 0.00 H new ATOM 0 HA SER A 39 31.949 -5.214 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 39 30.791 -7.005 -2.846 1.00 0.00 H new ATOM 0 HB3 SER A 39 30.026 -5.826 -3.893 1.00 0.00 H new ATOM 0 HG SER A 39 31.913 -6.750 -4.842 1.00 0.00 H new ATOM 583 N GLY A 40 32.604 -3.272 -3.071 1.00 0.00 N ATOM 584 CA GLY A 40 32.975 -2.041 -3.758 1.00 0.00 C ATOM 585 C GLY A 40 32.809 -0.831 -2.848 1.00 0.00 C ATOM 586 O GLY A 40 32.488 0.265 -3.308 1.00 0.00 O ATOM 0 H GLY A 40 33.395 -3.833 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 40 34.010 -2.107 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 40 32.358 -1.918 -4.648 1.00 0.00 H new ATOM 590 N TYR A 41 33.031 -1.035 -1.554 1.00 0.00 N ATOM 591 CA TYR A 41 32.911 0.040 -0.576 1.00 0.00 C ATOM 592 C TYR A 41 34.029 1.061 -0.740 1.00 0.00 C ATOM 593 O TYR A 41 35.196 0.699 -0.895 1.00 0.00 O ATOM 594 CB TYR A 41 32.913 -0.526 0.845 1.00 0.00 C ATOM 595 CG TYR A 41 32.794 0.529 1.923 1.00 0.00 C ATOM 596 CD1 TYR A 41 31.548 0.861 2.433 1.00 0.00 C ATOM 597 CD2 TYR A 41 33.931 1.164 2.401 1.00 0.00 C ATOM 598 CE1 TYR A 41 31.438 1.825 3.417 1.00 0.00 C ATOM 599 CE2 TYR A 41 33.821 2.127 3.384 1.00 0.00 C ATOM 600 CZ TYR A 41 32.581 2.458 3.892 1.00 0.00 C ATOM 601 OH TYR A 41 32.473 3.418 4.872 1.00 0.00 O ATOM 0 H TYR A 41 33.296 -1.937 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 41 31.962 0.547 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 41 32.088 -1.231 0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 41 33.833 -1.089 1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 41 30.663 0.366 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 41 34.902 0.905 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 41 30.468 2.085 3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 41 34.706 2.622 3.756 1.00 0.00 H new ATOM 0 HH TYR A 41 33.311 3.464 5.378 1.00 0.00 H new ATOM 611 N GLN A 42 33.667 2.339 -0.705 1.00 0.00 N ATOM 612 CA GLN A 42 34.649 3.415 -0.749 1.00 0.00 C ATOM 613 C GLN A 42 34.113 4.677 -0.085 1.00 0.00 C ATOM 614 O GLN A 42 32.959 5.053 -0.286 1.00 0.00 O ATOM 615 CB GLN A 42 35.052 3.716 -2.195 1.00 0.00 C ATOM 616 CG GLN A 42 36.119 4.788 -2.334 1.00 0.00 C ATOM 617 CD GLN A 42 36.543 4.999 -3.775 1.00 0.00 C ATOM 618 OE1 GLN A 42 35.791 4.704 -4.708 1.00 0.00 O ATOM 619 NE2 GLN A 42 37.753 5.512 -3.966 1.00 0.00 N ATOM 0 H GLN A 42 32.699 2.655 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 42 35.529 3.084 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 42 35.413 2.798 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 42 34.167 4.026 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 42 35.742 5.727 -1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 42 36.989 4.510 -1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 42 38.342 5.741 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 42 38.093 5.677 -4.913 1.00 0.00 H new ATOM 628 N VAL A 43 34.959 5.327 0.708 1.00 0.00 N ATOM 629 CA VAL A 43 34.622 6.620 1.291 1.00 0.00 C ATOM 630 C VAL A 43 34.967 7.759 0.340 1.00 0.00 C ATOM 631 O VAL A 43 36.126 7.943 -0.030 1.00 0.00 O ATOM 632 CB VAL A 43 35.374 6.820 2.620 1.00 0.00 C ATOM 633 CG1 VAL A 43 35.082 8.197 3.196 1.00 0.00 C ATOM 634 CG2 VAL A 43 34.981 5.729 3.606 1.00 0.00 C ATOM 0 H VAL A 43 35.884 4.979 0.961 1.00 0.00 H new ATOM 0 HA VAL A 43 33.548 6.631 1.474 1.00 0.00 H new ATOM 0 HB VAL A 43 36.446 6.753 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 43 35.622 8.321 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 43 35.403 8.962 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 43 34.012 8.296 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 43 35.516 5.876 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 43 33.908 5.774 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 43 35.237 4.754 3.191 1.00 0.00 H new ATOM 644 N LEU A 44 33.953 8.523 -0.052 1.00 0.00 N ATOM 645 CA LEU A 44 34.136 9.608 -1.009 1.00 0.00 C ATOM 646 C LEU A 44 34.535 10.900 -0.306 1.00 0.00 C ATOM 647 O LEU A 44 35.246 11.731 -0.871 1.00 0.00 O ATOM 648 CB LEU A 44 32.848 9.832 -1.811 1.00 0.00 C ATOM 649 CG LEU A 44 32.380 8.645 -2.661 1.00 0.00 C ATOM 650 CD1 LEU A 44 31.051 8.986 -3.322 1.00 0.00 C ATOM 651 CD2 LEU A 44 33.439 8.316 -3.702 1.00 0.00 C ATOM 0 H LEU A 44 32.995 8.411 0.279 1.00 0.00 H new ATOM 0 HA LEU A 44 34.939 9.323 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 44 32.050 10.095 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 44 32.995 10.690 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 44 32.236 7.769 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 30.718 8.142 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 44 30.307 9.199 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 44 31.176 9.862 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 44 33.106 7.472 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 44 33.599 9.182 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 44 34.373 8.058 -3.202 1.00 0.00 H new ATOM 663 N GLU A 45 34.073 11.063 0.929 1.00 0.00 N ATOM 664 CA GLU A 45 34.414 12.235 1.726 1.00 0.00 C ATOM 665 C GLU A 45 34.474 11.894 3.209 1.00 0.00 C ATOM 666 O GLU A 45 33.595 11.212 3.736 1.00 0.00 O ATOM 667 CB GLU A 45 33.396 13.354 1.491 1.00 0.00 C ATOM 668 CG GLU A 45 33.696 14.644 2.241 1.00 0.00 C ATOM 669 CD GLU A 45 32.736 15.751 1.908 1.00 0.00 C ATOM 670 OE1 GLU A 45 31.887 15.545 1.074 1.00 0.00 O ATOM 671 OE2 GLU A 45 32.851 16.805 2.487 1.00 0.00 O ATOM 0 H GLU A 45 33.461 10.397 1.400 1.00 0.00 H new ATOM 0 HA GLU A 45 35.401 12.576 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.352 13.570 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.409 12.998 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.662 14.451 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.710 14.967 2.007 1.00 0.00 H new ATOM 678 N GLY A 46 35.518 12.372 3.879 1.00 0.00 N ATOM 679 CA GLY A 46 35.627 12.235 5.327 1.00 0.00 C ATOM 680 C GLY A 46 35.864 10.785 5.727 1.00 0.00 C ATOM 681 O GLY A 46 36.904 10.206 5.412 1.00 0.00 O ATOM 0 H GLY A 46 36.301 12.858 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 46 36.446 12.854 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 46 34.715 12.601 5.799 1.00 0.00 H new ATOM 685 N GLY A 47 34.894 10.202 6.423 1.00 0.00 N ATOM 686 CA GLY A 47 35.005 8.824 6.885 1.00 0.00 C ATOM 687 C GLY A 47 34.878 8.739 8.401 1.00 0.00 C ATOM 688 O GLY A 47 34.802 7.649 8.967 1.00 0.00 O ATOM 0 H GLY A 47 34.021 10.663 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 34.229 8.218 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 47 35.964 8.410 6.574 1.00 0.00 H new ATOM 692 N GLN A 48 34.856 9.896 9.053 1.00 0.00 N ATOM 693 CA GLN A 48 34.739 9.955 10.506 1.00 0.00 C ATOM 694 C GLN A 48 33.862 11.122 10.941 1.00 0.00 C ATOM 695 O GLN A 48 34.326 12.258 11.035 1.00 0.00 O ATOM 696 CB GLN A 48 36.123 10.072 11.150 1.00 0.00 C ATOM 697 CG GLN A 48 37.008 8.854 10.951 1.00 0.00 C ATOM 698 CD GLN A 48 38.319 8.961 11.706 1.00 0.00 C ATOM 699 OE1 GLN A 48 38.408 9.644 12.731 1.00 0.00 O ATOM 700 NE2 GLN A 48 39.347 8.286 11.205 1.00 0.00 N ATOM 0 H GLN A 48 34.918 10.807 8.598 1.00 0.00 H new ATOM 0 HA GLN A 48 34.268 9.030 10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 48 36.629 10.946 10.740 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.000 10.247 12.219 1.00 0.00 H new ATOM 0 HG2 GLN A 48 36.474 7.963 11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 48 37.214 8.728 9.888 1.00 0.00 H new ATOM 0 HE21 GLN A 48 39.229 7.734 10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.254 8.320 11.670 1.00 0.00 H new ATOM 709 N GLY A 49 32.592 10.834 11.205 1.00 0.00 N ATOM 710 CA GLY A 49 31.681 11.828 11.761 1.00 0.00 C ATOM 711 C GLY A 49 30.830 12.466 10.671 1.00 0.00 C ATOM 712 O GLY A 49 30.791 11.984 9.539 1.00 0.00 O ATOM 0 H GLY A 49 32.170 9.920 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 49 31.035 11.358 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 49 32.252 12.599 12.278 1.00 0.00 H new ATOM 716 N ALA A 50 30.149 13.553 11.019 1.00 0.00 N ATOM 717 CA ALA A 50 29.216 14.198 10.103 1.00 0.00 C ATOM 718 C ALA A 50 29.944 14.792 8.904 1.00 0.00 C ATOM 719 O ALA A 50 31.064 15.288 9.028 1.00 0.00 O ATOM 720 CB ALA A 50 28.423 15.276 10.828 1.00 0.00 C ATOM 0 H ALA A 50 30.226 14.006 11.930 1.00 0.00 H new ATOM 0 HA ALA A 50 28.525 13.439 9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 50 27.731 15.749 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 50 27.863 14.826 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 50 29.107 16.026 11.225 1.00 0.00 H new ATOM 726 N GLY A 51 29.301 14.740 7.743 1.00 0.00 N ATOM 727 CA GLY A 51 29.899 15.243 6.512 1.00 0.00 C ATOM 728 C GLY A 51 30.485 14.109 5.681 1.00 0.00 C ATOM 729 O GLY A 51 30.831 14.296 4.514 1.00 0.00 O ATOM 0 H GLY A 51 28.364 14.354 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 51 29.146 15.773 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 51 30.681 15.963 6.752 1.00 0.00 H new ATOM 733 N THR A 52 30.593 12.932 6.288 1.00 0.00 N ATOM 734 CA THR A 52 31.111 11.758 5.596 1.00 0.00 C ATOM 735 C THR A 52 30.191 11.338 4.457 1.00 0.00 C ATOM 736 O THR A 52 28.971 11.299 4.615 1.00 0.00 O ATOM 737 CB THR A 52 31.300 10.579 6.570 1.00 0.00 C ATOM 738 OG1 THR A 52 32.318 10.904 7.525 1.00 0.00 O ATOM 739 CG2 THR A 52 31.702 9.322 5.814 1.00 0.00 C ATOM 0 H THR A 52 30.328 12.766 7.259 1.00 0.00 H new ATOM 0 HA THR A 52 32.081 12.031 5.180 1.00 0.00 H new ATOM 0 HB THR A 52 30.356 10.396 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 52 31.901 11.236 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 52 31.831 8.500 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 52 30.924 9.065 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 52 32.639 9.499 5.287 1.00 0.00 H new ATOM 747 N VAL A 53 30.783 11.025 3.310 1.00 0.00 N ATOM 748 CA VAL A 53 30.043 10.428 2.204 1.00 0.00 C ATOM 749 C VAL A 53 30.648 9.091 1.795 1.00 0.00 C ATOM 750 O VAL A 53 31.821 9.016 1.428 1.00 0.00 O ATOM 751 CB VAL A 53 30.036 11.378 0.992 1.00 0.00 C ATOM 752 CG1 VAL A 53 29.296 10.744 -0.177 1.00 0.00 C ATOM 753 CG2 VAL A 53 29.399 12.705 1.377 1.00 0.00 C ATOM 0 H VAL A 53 31.774 11.175 3.121 1.00 0.00 H new ATOM 0 HA VAL A 53 29.020 10.259 2.542 1.00 0.00 H new ATOM 0 HB VAL A 53 31.064 11.562 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 53 29.301 11.429 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 53 29.790 9.814 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 53 28.267 10.534 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 53 29.398 13.372 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 53 28.374 12.535 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 53 29.969 13.161 2.187 1.00 0.00 H new ATOM 763 N ALA A 54 29.841 8.038 1.859 1.00 0.00 N ATOM 764 CA ALA A 54 30.303 6.697 1.518 1.00 0.00 C ATOM 765 C ALA A 54 29.478 6.103 0.384 1.00 0.00 C ATOM 766 O ALA A 54 28.315 6.459 0.196 1.00 0.00 O ATOM 767 CB ALA A 54 30.251 5.793 2.741 1.00 0.00 C ATOM 0 H ALA A 54 28.863 8.087 2.144 1.00 0.00 H new ATOM 0 HA ALA A 54 31.336 6.772 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 54 30.599 4.796 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 54 30.891 6.201 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 54 29.226 5.733 3.106 1.00 0.00 H new ATOM 773 N THR A 55 30.088 5.194 -0.371 1.00 0.00 N ATOM 774 CA THR A 55 29.401 4.525 -1.469 1.00 0.00 C ATOM 775 C THR A 55 29.775 3.050 -1.534 1.00 0.00 C ATOM 776 O THR A 55 30.916 2.676 -1.261 1.00 0.00 O ATOM 777 CB THR A 55 29.720 5.200 -2.816 1.00 0.00 C ATOM 778 OG1 THR A 55 28.970 4.565 -3.860 1.00 0.00 O ATOM 779 CG2 THR A 55 31.205 5.095 -3.127 1.00 0.00 C ATOM 0 H THR A 55 31.057 4.904 -0.242 1.00 0.00 H new ATOM 0 HA THR A 55 28.331 4.608 -1.279 1.00 0.00 H new ATOM 0 HB THR A 55 29.447 6.253 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 55 28.062 4.376 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 55 31.412 5.577 -4.082 1.00 0.00 H new ATOM 0 HG22 THR A 55 31.777 5.587 -2.341 1.00 0.00 H new ATOM 0 HG23 THR A 55 31.492 4.045 -3.181 1.00 0.00 H new ATOM 787 N TRP A 56 28.808 2.215 -1.899 1.00 0.00 N ATOM 788 CA TRP A 56 29.057 0.792 -2.095 1.00 0.00 C ATOM 789 C TRP A 56 27.952 0.147 -2.921 1.00 0.00 C ATOM 790 O TRP A 56 26.908 0.754 -3.159 1.00 0.00 O ATOM 791 CB TRP A 56 29.171 0.080 -0.745 1.00 0.00 C ATOM 792 CG TRP A 56 27.918 0.146 0.074 1.00 0.00 C ATOM 793 CD1 TRP A 56 26.855 -0.703 0.008 1.00 0.00 C ATOM 794 CD2 TRP A 56 27.590 1.120 1.094 1.00 0.00 C ATOM 795 NE1 TRP A 56 25.892 -0.327 0.911 1.00 0.00 N ATOM 796 CE2 TRP A 56 26.326 0.786 1.585 1.00 0.00 C ATOM 797 CE3 TRP A 56 28.259 2.232 1.622 1.00 0.00 C ATOM 798 CZ2 TRP A 56 25.707 1.525 2.582 1.00 0.00 C ATOM 799 CZ3 TRP A 56 27.640 2.971 2.623 1.00 0.00 C ATOM 800 CH2 TRP A 56 26.397 2.626 3.090 1.00 0.00 C ATOM 0 H TRP A 56 27.843 2.500 -2.065 1.00 0.00 H new ATOM 0 HA TRP A 56 29.997 0.692 -2.637 1.00 0.00 H new ATOM 0 HB2 TRP A 56 29.430 -0.965 -0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 56 29.990 0.523 -0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 56 26.781 -1.550 -0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 56 24.999 -0.798 1.057 1.00 0.00 H new ATOM 0 HE3 TRP A 56 29.237 2.510 1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 24.728 1.258 2.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 28.145 3.830 3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 56 25.942 3.220 3.869 1.00 0.00 H new ATOM 811 N LYS A 57 28.188 -1.086 -3.357 1.00 0.00 N ATOM 812 CA LYS A 57 27.156 -1.876 -4.017 1.00 0.00 C ATOM 813 C LYS A 57 26.601 -2.945 -3.085 1.00 0.00 C ATOM 814 O LYS A 57 27.354 -3.637 -2.399 1.00 0.00 O ATOM 815 CB LYS A 57 27.707 -2.521 -5.289 1.00 0.00 C ATOM 816 CG LYS A 57 28.099 -1.531 -6.377 1.00 0.00 C ATOM 817 CD LYS A 57 28.602 -2.248 -7.622 1.00 0.00 C ATOM 818 CE LYS A 57 29.002 -1.260 -8.707 1.00 0.00 C ATOM 819 NZ LYS A 57 29.514 -1.947 -9.924 1.00 0.00 N ATOM 0 H LYS A 57 29.086 -1.560 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 57 26.342 -1.203 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 57 28.579 -3.121 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 57 26.958 -3.204 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 57 27.240 -0.911 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 57 28.874 -0.863 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 57 29.457 -2.873 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 57 27.825 -2.912 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 57 28.142 -0.645 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 57 29.768 -0.588 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 29.775 -1.238 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 30.350 -2.514 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 28.775 -2.570 -10.308 1.00 0.00 H new ATOM 833 N LEU A 58 25.279 -3.077 -3.064 1.00 0.00 N ATOM 834 CA LEU A 58 24.623 -4.093 -2.251 1.00 0.00 C ATOM 835 C LEU A 58 24.000 -5.178 -3.121 1.00 0.00 C ATOM 836 O LEU A 58 23.154 -4.897 -3.969 1.00 0.00 O ATOM 837 CB LEU A 58 23.542 -3.452 -1.371 1.00 0.00 C ATOM 838 CG LEU A 58 22.804 -4.406 -0.422 1.00 0.00 C ATOM 839 CD1 LEU A 58 23.780 -4.949 0.613 1.00 0.00 C ATOM 840 CD2 LEU A 58 21.653 -3.668 0.245 1.00 0.00 C ATOM 0 H LEU A 58 24.640 -2.492 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 58 25.381 -4.553 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 58 24.004 -2.663 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.808 -2.974 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 58 22.395 -5.247 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 58 23.256 -5.627 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.583 -5.487 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.201 -4.122 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.129 -4.345 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 58 22.043 -2.822 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.962 -3.307 -0.517 1.00 0.00 H new ATOM 852 N GLN A 59 24.424 -6.418 -2.905 1.00 0.00 N ATOM 853 CA GLN A 59 23.985 -7.534 -3.735 1.00 0.00 C ATOM 854 C GLN A 59 23.130 -8.510 -2.937 1.00 0.00 C ATOM 855 O GLN A 59 23.636 -9.493 -2.395 1.00 0.00 O ATOM 856 CB GLN A 59 25.190 -8.263 -4.335 1.00 0.00 C ATOM 857 CG GLN A 59 24.825 -9.411 -5.261 1.00 0.00 C ATOM 858 CD GLN A 59 26.043 -10.040 -5.910 1.00 0.00 C ATOM 859 OE1 GLN A 59 27.182 -9.770 -5.519 1.00 0.00 O ATOM 860 NE2 GLN A 59 25.810 -10.885 -6.908 1.00 0.00 N ATOM 0 H GLN A 59 25.072 -6.676 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 59 23.377 -7.128 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 59 25.797 -7.545 -4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.809 -8.648 -3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 59 24.284 -10.171 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.150 -9.048 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 59 24.852 -11.079 -7.199 1.00 0.00 H new ATOM 0 HE22 GLN A 59 26.589 -11.340 -7.384 1.00 0.00 H new ATOM 950 N VAL A 65 21.423 -5.976 -7.629 1.00 0.00 N ATOM 951 CA VAL A 65 22.535 -5.159 -7.159 1.00 0.00 C ATOM 952 C VAL A 65 22.173 -3.679 -7.168 1.00 0.00 C ATOM 953 O VAL A 65 21.746 -3.141 -8.189 1.00 0.00 O ATOM 954 CB VAL A 65 23.776 -5.386 -8.042 1.00 0.00 C ATOM 955 CG1 VAL A 65 24.929 -4.511 -7.575 1.00 0.00 C ATOM 956 CG2 VAL A 65 24.168 -6.855 -8.016 1.00 0.00 C ATOM 0 HA VAL A 65 22.756 -5.458 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 65 23.536 -5.108 -9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 65 25.798 -4.684 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 65 24.638 -3.462 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 65 25.179 -4.758 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 65 25.047 -7.008 -8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 65 24.396 -7.153 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 23.343 -7.459 -8.394 1.00 0.00 H new ATOM 966 N ARG A 66 22.346 -3.026 -6.024 1.00 0.00 N ATOM 967 CA ARG A 66 21.941 -1.634 -5.867 1.00 0.00 C ATOM 968 C ARG A 66 23.131 -0.750 -5.517 1.00 0.00 C ATOM 969 O ARG A 66 23.945 -1.098 -4.661 1.00 0.00 O ATOM 970 CB ARG A 66 20.881 -1.504 -4.784 1.00 0.00 C ATOM 971 CG ARG A 66 20.388 -0.087 -4.538 1.00 0.00 C ATOM 972 CD ARG A 66 19.370 -0.039 -3.457 1.00 0.00 C ATOM 973 NE ARG A 66 18.120 -0.662 -3.861 1.00 0.00 N ATOM 974 CZ ARG A 66 17.033 -0.776 -3.073 1.00 0.00 C ATOM 975 NH1 ARG A 66 17.058 -0.307 -1.846 1.00 0.00 N ATOM 976 NH2 ARG A 66 15.941 -1.361 -3.535 1.00 0.00 N ATOM 0 H ARG A 66 22.765 -3.439 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 66 21.527 -1.304 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.029 -2.128 -5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.284 -1.900 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 66 21.231 0.551 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 66 19.962 0.315 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.757 -0.543 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.185 0.998 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 66 18.062 -1.039 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.901 0.144 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.235 -0.394 -1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.922 -1.726 -4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.118 -1.448 -2.939 1.00 0.00 H new ATOM 990 N ASP A 67 23.228 0.395 -6.184 1.00 0.00 N ATOM 991 CA ASP A 67 24.232 1.396 -5.846 1.00 0.00 C ATOM 992 C ASP A 67 23.772 2.267 -4.684 1.00 0.00 C ATOM 993 O ASP A 67 22.896 3.117 -4.842 1.00 0.00 O ATOM 994 CB ASP A 67 24.542 2.276 -7.060 1.00 0.00 C ATOM 995 CG ASP A 67 25.617 3.317 -6.778 1.00 0.00 C ATOM 996 OD1 ASP A 67 25.897 3.556 -5.627 1.00 0.00 O ATOM 997 OD2 ASP A 67 26.147 3.863 -7.716 1.00 0.00 O ATOM 0 H ASP A 67 22.622 0.653 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 67 25.137 0.868 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.864 1.644 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.630 2.780 -7.379 1.00 0.00 H new ATOM 1002 N VAL A 68 24.368 2.050 -3.517 1.00 0.00 N ATOM 1003 CA VAL A 68 23.905 2.687 -2.290 1.00 0.00 C ATOM 1004 C VAL A 68 24.853 3.796 -1.853 1.00 0.00 C ATOM 1005 O VAL A 68 26.052 3.571 -1.686 1.00 0.00 O ATOM 1006 CB VAL A 68 23.782 1.646 -1.161 1.00 0.00 C ATOM 1007 CG1 VAL A 68 23.315 2.309 0.126 1.00 0.00 C ATOM 1008 CG2 VAL A 68 22.823 0.541 -1.578 1.00 0.00 C ATOM 0 H VAL A 68 25.174 1.437 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 68 22.927 3.124 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 68 24.762 1.206 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 68 23.234 1.559 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 68 24.035 3.071 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 68 22.342 2.772 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 68 22.741 -0.192 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 68 21.841 0.969 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 68 23.199 0.053 -2.477 1.00 0.00 H new ATOM 1018 N LYS A 69 24.310 4.994 -1.668 1.00 0.00 N ATOM 1019 CA LYS A 69 25.072 6.103 -1.108 1.00 0.00 C ATOM 1020 C LYS A 69 24.707 6.342 0.351 1.00 0.00 C ATOM 1021 O LYS A 69 23.632 5.950 0.804 1.00 0.00 O ATOM 1022 CB LYS A 69 24.841 7.377 -1.923 1.00 0.00 C ATOM 1023 CG LYS A 69 25.364 7.314 -3.352 1.00 0.00 C ATOM 1024 CD LYS A 69 26.885 7.338 -3.385 1.00 0.00 C ATOM 1025 CE LYS A 69 27.406 7.456 -4.810 1.00 0.00 C ATOM 1026 NZ LYS A 69 27.342 6.158 -5.535 1.00 0.00 N ATOM 0 H LYS A 69 23.343 5.222 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 69 26.128 5.838 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 69 23.772 7.588 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 69 25.318 8.213 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 69 25.002 6.406 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 24.972 8.156 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 69 27.250 8.176 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 69 27.275 6.429 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 69 26.822 8.202 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.437 7.811 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 27.658 6.293 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 27.960 5.466 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 26.363 5.806 -5.532 1.00 0.00 H new ATOM 1040 N ALA A 70 25.609 6.986 1.084 1.00 0.00 N ATOM 1041 CA ALA A 70 25.379 7.287 2.492 1.00 0.00 C ATOM 1042 C ALA A 70 25.945 8.651 2.863 1.00 0.00 C ATOM 1043 O ALA A 70 27.104 8.766 3.261 1.00 0.00 O ATOM 1044 CB ALA A 70 25.989 6.204 3.371 1.00 0.00 C ATOM 0 H ALA A 70 26.507 7.310 0.726 1.00 0.00 H new ATOM 0 HA ALA A 70 24.302 7.312 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 70 25.809 6.442 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 70 25.533 5.243 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 70 27.063 6.150 3.190 1.00 0.00 H new ATOM 1050 N THR A 71 25.120 9.684 2.731 1.00 0.00 N ATOM 1051 CA THR A 71 25.452 11.003 3.257 1.00 0.00 C ATOM 1052 C THR A 71 25.224 11.068 4.762 1.00 0.00 C ATOM 1053 O THR A 71 24.095 10.943 5.234 1.00 0.00 O ATOM 1054 CB THR A 71 24.628 12.102 2.561 1.00 0.00 C ATOM 1055 OG1 THR A 71 24.899 12.086 1.154 1.00 0.00 O ATOM 1056 CG2 THR A 71 24.979 13.470 3.126 1.00 0.00 C ATOM 0 H THR A 71 24.215 9.633 2.263 1.00 0.00 H new ATOM 0 HA THR A 71 26.509 11.175 3.054 1.00 0.00 H new ATOM 0 HB THR A 71 23.570 11.909 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.373 12.785 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.387 14.234 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.763 13.489 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 71 26.039 13.668 2.967 1.00 0.00 H new ATOM 1064 N VAL A 72 26.304 11.265 5.511 1.00 0.00 N ATOM 1065 CA VAL A 72 26.284 11.056 6.954 1.00 0.00 C ATOM 1066 C VAL A 72 25.975 12.352 7.693 1.00 0.00 C ATOM 1067 O VAL A 72 26.682 13.348 7.543 1.00 0.00 O ATOM 1068 CB VAL A 72 27.641 10.507 7.433 1.00 0.00 C ATOM 1069 CG1 VAL A 72 27.650 10.357 8.947 1.00 0.00 C ATOM 1070 CG2 VAL A 72 27.927 9.174 6.758 1.00 0.00 C ATOM 0 H VAL A 72 27.205 11.569 5.142 1.00 0.00 H new ATOM 0 HA VAL A 72 25.499 10.333 7.174 1.00 0.00 H new ATOM 0 HB VAL A 72 28.425 11.213 7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 72 28.616 9.968 9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 72 27.478 11.329 9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 72 26.862 9.667 9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 72 28.888 8.791 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 72 27.142 8.462 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 72 27.957 9.312 5.677 1.00 0.00 H new ATOM 1080 N ASP A 73 24.914 12.332 8.493 1.00 0.00 N ATOM 1081 CA ASP A 73 24.582 13.460 9.355 1.00 0.00 C ATOM 1082 C ASP A 73 24.496 13.032 10.814 1.00 0.00 C ATOM 1083 O ASP A 73 23.474 12.510 11.259 1.00 0.00 O ATOM 1084 CB ASP A 73 23.257 14.094 8.924 1.00 0.00 C ATOM 1085 CG ASP A 73 22.891 15.320 9.748 1.00 0.00 C ATOM 1086 OD1 ASP A 73 23.538 15.559 10.741 1.00 0.00 O ATOM 1087 OD2 ASP A 73 21.969 16.007 9.378 1.00 0.00 O ATOM 0 H ASP A 73 24.268 11.545 8.562 1.00 0.00 H new ATOM 0 HA ASP A 73 25.380 14.196 9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.319 14.375 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.461 13.354 9.010 1.00 0.00 H new ATOM 1092 N VAL A 74 25.576 13.255 11.556 1.00 0.00 N ATOM 1093 CA VAL A 74 25.637 12.863 12.958 1.00 0.00 C ATOM 1094 C VAL A 74 25.098 13.964 13.862 1.00 0.00 C ATOM 1095 O VAL A 74 25.611 15.083 13.867 1.00 0.00 O ATOM 1096 CB VAL A 74 27.088 12.537 13.360 1.00 0.00 C ATOM 1097 CG1 VAL A 74 27.155 12.124 14.823 1.00 0.00 C ATOM 1098 CG2 VAL A 74 27.639 11.439 12.463 1.00 0.00 C ATOM 0 H VAL A 74 26.422 13.706 11.208 1.00 0.00 H new ATOM 0 HA VAL A 74 25.016 11.976 13.081 1.00 0.00 H new ATOM 0 HB VAL A 74 27.700 13.430 13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 74 28.187 11.897 15.090 1.00 0.00 H new ATOM 0 HG12 VAL A 74 26.789 12.938 15.448 1.00 0.00 H new ATOM 0 HG13 VAL A 74 26.537 11.240 14.980 1.00 0.00 H new ATOM 0 HG21 VAL A 74 28.665 11.213 12.753 1.00 0.00 H new ATOM 0 HG22 VAL A 74 27.027 10.543 12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 74 27.620 11.773 11.426 1.00 0.00 H new ATOM 1108 N ALA A 75 24.060 13.640 14.626 1.00 0.00 N ATOM 1109 CA ALA A 75 23.461 14.596 15.550 1.00 0.00 C ATOM 1110 C ALA A 75 22.959 13.904 16.811 1.00 0.00 C ATOM 1111 O ALA A 75 22.174 12.958 16.740 1.00 0.00 O ATOM 1112 CB ALA A 75 22.326 15.349 14.872 1.00 0.00 C ATOM 0 H ALA A 75 23.616 12.722 14.623 1.00 0.00 H new ATOM 0 HA ALA A 75 24.232 15.309 15.842 1.00 0.00 H new ATOM 0 HB1 ALA A 75 21.889 16.059 15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 75 22.712 15.887 14.006 1.00 0.00 H new ATOM 0 HB3 ALA A 75 21.562 14.642 14.549 1.00 0.00 H new ATOM 1118 N GLY A 76 23.415 14.380 17.964 1.00 0.00 N ATOM 1119 CA GLY A 76 23.051 13.777 19.240 1.00 0.00 C ATOM 1120 C GLY A 76 23.636 12.376 19.374 1.00 0.00 C ATOM 1121 O GLY A 76 24.850 12.209 19.493 1.00 0.00 O ATOM 0 H GLY A 76 24.039 15.183 18.041 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.410 14.403 20.057 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.965 13.731 19.327 1.00 0.00 H new ATOM 1125 N HIS A 77 22.765 11.373 19.353 1.00 0.00 N ATOM 1126 CA HIS A 77 23.199 9.981 19.379 1.00 0.00 C ATOM 1127 C HIS A 77 22.647 9.209 18.188 1.00 0.00 C ATOM 1128 O HIS A 77 22.562 7.982 18.216 1.00 0.00 O ATOM 1129 CB HIS A 77 22.763 9.302 20.681 1.00 0.00 C ATOM 1130 CG HIS A 77 23.364 9.913 21.909 1.00 0.00 C ATOM 1131 ND1 HIS A 77 24.691 9.749 22.247 1.00 0.00 N ATOM 1132 CD2 HIS A 77 22.821 10.684 22.879 1.00 0.00 C ATOM 1133 CE1 HIS A 77 24.938 10.396 23.373 1.00 0.00 C ATOM 1134 NE2 HIS A 77 23.820 10.971 23.776 1.00 0.00 N ATOM 0 H HIS A 77 21.753 11.498 19.318 1.00 0.00 H new ATOM 0 HA HIS A 77 24.287 9.976 19.321 1.00 0.00 H new ATOM 0 HB2 HIS A 77 21.677 9.347 20.758 1.00 0.00 H new ATOM 0 HB3 HIS A 77 23.036 8.248 20.640 1.00 0.00 H new ATOM 0 HD2 HIS A 77 21.794 11.012 22.937 1.00 0.00 H new ATOM 0 HE1 HIS A 77 25.892 10.446 23.877 1.00 0.00 H new ATOM 0 HE2 HIS A 77 23.715 11.537 24.618 1.00 0.00 H new ATOM 1142 N THR A 78 22.273 9.936 17.140 1.00 0.00 N ATOM 1143 CA THR A 78 21.762 9.319 15.922 1.00 0.00 C ATOM 1144 C THR A 78 22.631 9.667 14.721 1.00 0.00 C ATOM 1145 O THR A 78 22.929 10.836 14.477 1.00 0.00 O ATOM 1146 CB THR A 78 20.308 9.749 15.651 1.00 0.00 C ATOM 1147 OG1 THR A 78 19.471 9.321 16.733 1.00 0.00 O ATOM 1148 CG2 THR A 78 19.804 9.137 14.353 1.00 0.00 C ATOM 0 H THR A 78 22.315 10.955 17.110 1.00 0.00 H new ATOM 0 HA THR A 78 21.788 8.240 16.072 1.00 0.00 H new ATOM 0 HB THR A 78 20.276 10.835 15.565 1.00 0.00 H new ATOM 0 HG1 THR A 78 18.547 9.596 16.560 1.00 0.00 H new ATOM 0 HG21 THR A 78 18.775 9.452 14.178 1.00 0.00 H new ATOM 0 HG22 THR A 78 20.431 9.470 13.526 1.00 0.00 H new ATOM 0 HG23 THR A 78 19.844 8.050 14.424 1.00 0.00 H new ATOM 1156 N VAL A 79 23.035 8.646 13.973 1.00 0.00 N ATOM 1157 CA VAL A 79 23.755 8.850 12.722 1.00 0.00 C ATOM 1158 C VAL A 79 22.859 8.577 11.520 1.00 0.00 C ATOM 1159 O VAL A 79 22.411 7.450 11.311 1.00 0.00 O ATOM 1160 CB VAL A 79 24.988 7.929 12.659 1.00 0.00 C ATOM 1161 CG1 VAL A 79 25.741 8.136 11.353 1.00 0.00 C ATOM 1162 CG2 VAL A 79 25.894 8.194 13.852 1.00 0.00 C ATOM 0 H VAL A 79 22.876 7.667 14.212 1.00 0.00 H new ATOM 0 HA VAL A 79 24.075 9.892 12.690 1.00 0.00 H new ATOM 0 HB VAL A 79 24.657 6.891 12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 79 26.609 7.477 11.325 1.00 0.00 H new ATOM 0 HG12 VAL A 79 25.084 7.906 10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 79 26.070 9.173 11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 79 26.764 7.539 13.801 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.221 9.234 13.837 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.347 7.999 14.775 1.00 0.00 H new ATOM 1172 N ILE A 80 22.602 9.616 10.733 1.00 0.00 N ATOM 1173 CA ILE A 80 21.663 9.521 9.621 1.00 0.00 C ATOM 1174 C ILE A 80 22.392 9.307 8.301 1.00 0.00 C ATOM 1175 O ILE A 80 23.305 10.058 7.957 1.00 0.00 O ATOM 1176 CB ILE A 80 20.792 10.786 9.529 1.00 0.00 C ATOM 1177 CG1 ILE A 80 19.979 10.970 10.813 1.00 0.00 C ATOM 1178 CG2 ILE A 80 19.872 10.712 8.320 1.00 0.00 C ATOM 1179 CD1 ILE A 80 19.298 12.316 10.918 1.00 0.00 C ATOM 0 H ILE A 80 23.031 10.535 10.845 1.00 0.00 H new ATOM 0 HA ILE A 80 21.022 8.660 9.810 1.00 0.00 H new ATOM 0 HB ILE A 80 21.447 11.649 9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 80 19.224 10.186 10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 80 20.638 10.839 11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 80 19.263 11.615 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 80 20.470 10.627 7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 80 19.223 9.841 8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 80 18.742 12.370 11.854 1.00 0.00 H new ATOM 0 HD12 ILE A 80 20.048 13.106 10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 80 18.612 12.443 10.081 1.00 0.00 H new ATOM 1191 N GLU A 81 21.983 8.280 7.564 1.00 0.00 N ATOM 1192 CA GLU A 81 22.567 7.992 6.260 1.00 0.00 C ATOM 1193 C GLU A 81 21.554 8.212 5.143 1.00 0.00 C ATOM 1194 O GLU A 81 20.609 7.439 4.988 1.00 0.00 O ATOM 1195 CB GLU A 81 23.087 6.554 6.214 1.00 0.00 C ATOM 1196 CG GLU A 81 24.203 6.257 7.206 1.00 0.00 C ATOM 1197 CD GLU A 81 24.581 4.803 7.243 1.00 0.00 C ATOM 1198 OE1 GLU A 81 23.947 4.026 6.569 1.00 0.00 O ATOM 1199 OE2 GLU A 81 25.504 4.467 7.946 1.00 0.00 O ATOM 0 H GLU A 81 21.248 7.632 7.848 1.00 0.00 H new ATOM 0 HA GLU A 81 23.400 8.679 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 81 22.257 5.874 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.447 6.343 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 81 25.081 6.849 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.890 6.571 8.202 1.00 0.00 H new ATOM 1206 N LYS A 82 21.758 9.271 4.367 1.00 0.00 N ATOM 1207 CA LYS A 82 20.838 9.620 3.290 1.00 0.00 C ATOM 1208 C LYS A 82 21.365 9.148 1.941 1.00 0.00 C ATOM 1209 O LYS A 82 22.491 9.466 1.558 1.00 0.00 O ATOM 1210 CB LYS A 82 20.596 11.130 3.262 1.00 0.00 C ATOM 1211 CG LYS A 82 19.887 11.677 4.493 1.00 0.00 C ATOM 1212 CD LYS A 82 19.647 13.175 4.374 1.00 0.00 C ATOM 1213 CE LYS A 82 18.943 13.724 5.606 1.00 0.00 C ATOM 1214 NZ LYS A 82 18.711 15.190 5.507 1.00 0.00 N ATOM 0 H LYS A 82 22.553 9.903 4.464 1.00 0.00 H new ATOM 0 HA LYS A 82 19.892 9.114 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.555 11.637 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.005 11.375 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.935 11.163 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.485 11.472 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.599 13.688 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.046 13.379 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.989 13.214 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.542 13.510 6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.229 15.524 6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.623 15.680 5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.118 15.392 4.677 1.00 0.00 H new ATOM 1228 N ASP A 83 20.543 8.389 1.224 1.00 0.00 N ATOM 1229 CA ASP A 83 20.886 7.951 -0.124 1.00 0.00 C ATOM 1230 C ASP A 83 20.597 9.042 -1.147 1.00 0.00 C ATOM 1231 O ASP A 83 19.513 9.626 -1.157 1.00 0.00 O ATOM 1232 CB ASP A 83 20.110 6.683 -0.489 1.00 0.00 C ATOM 1233 CG ASP A 83 20.536 6.093 -1.827 1.00 0.00 C ATOM 1234 OD1 ASP A 83 21.683 5.737 -1.959 1.00 0.00 O ATOM 1235 OD2 ASP A 83 19.711 6.003 -2.704 1.00 0.00 O ATOM 0 H ASP A 83 19.634 8.064 1.554 1.00 0.00 H new ATOM 0 HA ASP A 83 21.954 7.735 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.253 5.938 0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.045 6.911 -0.521 1.00 0.00 H new ATOM 1240 N ALA A 84 21.573 9.313 -2.007 1.00 0.00 N ATOM 1241 CA ALA A 84 21.438 10.358 -3.015 1.00 0.00 C ATOM 1242 C ALA A 84 20.798 9.817 -4.287 1.00 0.00 C ATOM 1243 O ALA A 84 20.324 10.580 -5.128 1.00 0.00 O ATOM 1244 CB ALA A 84 22.795 10.972 -3.326 1.00 0.00 C ATOM 0 H ALA A 84 22.467 8.823 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 84 20.785 11.132 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.678 11.750 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 84 23.215 11.406 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 84 23.466 10.200 -3.703 1.00 0.00 H new ATOM 1250 N ASN A 85 20.788 8.495 -4.422 1.00 0.00 N ATOM 1251 CA ASN A 85 20.300 7.852 -5.636 1.00 0.00 C ATOM 1252 C ASN A 85 18.793 7.637 -5.578 1.00 0.00 C ATOM 1253 O ASN A 85 18.109 7.693 -6.600 1.00 0.00 O ATOM 1254 CB ASN A 85 21.019 6.537 -5.870 1.00 0.00 C ATOM 1255 CG ASN A 85 22.455 6.727 -6.273 1.00 0.00 C ATOM 1256 OD1 ASN A 85 22.829 7.777 -6.808 1.00 0.00 O ATOM 1257 ND2 ASN A 85 23.268 5.730 -6.027 1.00 0.00 N ATOM 0 H ASN A 85 21.113 7.847 -3.704 1.00 0.00 H new ATOM 0 HA ASN A 85 20.511 8.516 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 85 20.977 5.937 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 85 20.499 5.976 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.254 5.802 -6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 85 22.915 4.882 -5.583 1.00 0.00 H new ATOM 1264 N SER A 86 18.282 7.389 -4.377 1.00 0.00 N ATOM 1265 CA SER A 86 16.865 7.102 -4.193 1.00 0.00 C ATOM 1266 C SER A 86 16.373 7.601 -2.840 1.00 0.00 C ATOM 1267 O SER A 86 17.151 8.117 -2.038 1.00 0.00 O ATOM 1268 CB SER A 86 16.614 5.611 -4.313 1.00 0.00 C ATOM 1269 OG SER A 86 17.203 4.915 -3.249 1.00 0.00 O ATOM 0 H SER A 86 18.829 7.381 -3.516 1.00 0.00 H new ATOM 0 HA SER A 86 16.312 7.626 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 86 15.541 5.419 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 86 17.016 5.246 -5.258 1.00 0.00 H new ATOM 0 HG SER A 86 18.072 5.316 -3.037 1.00 0.00 H new ATOM 1275 N SER A 87 15.077 7.443 -2.592 1.00 0.00 N ATOM 1276 CA SER A 87 14.463 7.951 -1.371 1.00 0.00 C ATOM 1277 C SER A 87 14.627 6.965 -0.221 1.00 0.00 C ATOM 1278 O SER A 87 13.652 6.386 0.256 1.00 0.00 O ATOM 1279 CB SER A 87 12.991 8.230 -1.604 1.00 0.00 C ATOM 1280 OG SER A 87 12.816 9.244 -2.554 1.00 0.00 O ATOM 0 H SER A 87 14.431 6.967 -3.221 1.00 0.00 H new ATOM 0 HA SER A 87 14.968 8.878 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.494 7.321 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.519 8.521 -0.665 1.00 0.00 H new ATOM 0 HG SER A 87 11.859 9.405 -2.688 1.00 0.00 H new ATOM 1286 N LEU A 88 15.867 6.780 0.220 1.00 0.00 N ATOM 1287 CA LEU A 88 16.164 5.849 1.302 1.00 0.00 C ATOM 1288 C LEU A 88 17.034 6.503 2.368 1.00 0.00 C ATOM 1289 O LEU A 88 18.073 7.086 2.062 1.00 0.00 O ATOM 1290 CB LEU A 88 16.869 4.603 0.751 1.00 0.00 C ATOM 1291 CG LEU A 88 17.166 3.500 1.775 1.00 0.00 C ATOM 1292 CD1 LEU A 88 17.125 2.142 1.086 1.00 0.00 C ATOM 1293 CD2 LEU A 88 18.526 3.749 2.410 1.00 0.00 C ATOM 0 H LEU A 88 16.683 7.263 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 88 15.219 5.557 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.253 4.180 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.809 4.912 0.294 1.00 0.00 H new ATOM 0 HG LEU A 88 16.412 3.510 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.336 1.358 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.136 1.982 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 88 17.874 2.113 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.737 2.965 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 88 19.295 3.743 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.522 4.717 2.911 1.00 0.00 H new ATOM 1305 N VAL A 89 16.603 6.401 3.620 1.00 0.00 N ATOM 1306 CA VAL A 89 17.354 6.962 4.737 1.00 0.00 C ATOM 1307 C VAL A 89 17.465 5.964 5.883 1.00 0.00 C ATOM 1308 O VAL A 89 16.460 5.436 6.359 1.00 0.00 O ATOM 1309 CB VAL A 89 16.676 8.248 5.245 1.00 0.00 C ATOM 1310 CG1 VAL A 89 17.434 8.815 6.436 1.00 0.00 C ATOM 1311 CG2 VAL A 89 16.596 9.270 4.121 1.00 0.00 C ATOM 0 H VAL A 89 15.736 5.934 3.887 1.00 0.00 H new ATOM 0 HA VAL A 89 18.357 7.194 4.378 1.00 0.00 H new ATOM 0 HB VAL A 89 15.664 8.009 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.941 9.723 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.448 8.081 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 89 18.457 9.048 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 89 16.115 10.177 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 89 17.601 9.507 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 89 16.014 8.859 3.296 1.00 0.00 H new ATOM 1321 N SER A 90 18.693 5.708 6.321 1.00 0.00 N ATOM 1322 CA SER A 90 18.937 4.786 7.423 1.00 0.00 C ATOM 1323 C SER A 90 19.325 5.535 8.692 1.00 0.00 C ATOM 1324 O SER A 90 20.273 6.319 8.696 1.00 0.00 O ATOM 1325 CB SER A 90 20.030 3.804 7.051 1.00 0.00 C ATOM 1326 OG SER A 90 19.619 2.968 6.004 1.00 0.00 O ATOM 0 H SER A 90 19.536 6.127 5.928 1.00 0.00 H new ATOM 0 HA SER A 90 18.013 4.241 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 90 20.927 4.348 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 90 20.294 3.201 7.920 1.00 0.00 H new ATOM 0 HG SER A 90 19.065 2.243 6.362 1.00 0.00 H new ATOM 1332 N ASN A 91 18.586 5.287 9.768 1.00 0.00 N ATOM 1333 CA ASN A 91 18.862 5.925 11.050 1.00 0.00 C ATOM 1334 C ASN A 91 19.602 4.979 11.988 1.00 0.00 C ATOM 1335 O ASN A 91 19.174 3.846 12.206 1.00 0.00 O ATOM 1336 CB ASN A 91 17.576 6.414 11.691 1.00 0.00 C ATOM 1337 CG ASN A 91 16.906 7.495 10.889 1.00 0.00 C ATOM 1338 OD1 ASN A 91 17.570 8.387 10.349 1.00 0.00 O ATOM 1339 ND2 ASN A 91 15.601 7.432 10.800 1.00 0.00 N ATOM 0 H ASN A 91 17.791 4.648 9.778 1.00 0.00 H new ATOM 0 HA ASN A 91 19.506 6.785 10.865 1.00 0.00 H new ATOM 0 HB2 ASN A 91 16.890 5.575 11.807 1.00 0.00 H new ATOM 0 HB3 ASN A 91 17.793 6.790 12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 91 15.091 8.138 10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 91 15.094 6.677 11.262 1.00 0.00 H new ATOM 1346 N TRP A 92 20.714 5.452 12.540 1.00 0.00 N ATOM 1347 CA TRP A 92 21.469 4.684 13.522 1.00 0.00 C ATOM 1348 C TRP A 92 21.408 5.336 14.897 1.00 0.00 C ATOM 1349 O TRP A 92 22.279 6.126 15.259 1.00 0.00 O ATOM 1350 CB TRP A 92 22.928 4.545 13.084 1.00 0.00 C ATOM 1351 CG TRP A 92 23.113 3.651 11.895 1.00 0.00 C ATOM 1352 CD1 TRP A 92 22.753 3.920 10.609 1.00 0.00 C ATOM 1353 CD2 TRP A 92 23.708 2.331 11.877 1.00 0.00 C ATOM 1354 NE1 TRP A 92 23.080 2.864 9.795 1.00 0.00 N ATOM 1355 CE2 TRP A 92 23.667 1.883 10.554 1.00 0.00 C ATOM 1356 CE3 TRP A 92 24.265 1.506 12.862 1.00 0.00 C ATOM 1357 CZ2 TRP A 92 24.160 0.642 10.183 1.00 0.00 C ATOM 1358 CZ3 TRP A 92 24.761 0.262 12.491 1.00 0.00 C ATOM 1359 CH2 TRP A 92 24.710 -0.158 11.186 1.00 0.00 C ATOM 0 H TRP A 92 21.113 6.365 12.323 1.00 0.00 H new ATOM 0 HA TRP A 92 21.016 3.695 13.588 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.325 5.533 12.851 1.00 0.00 H new ATOM 0 HB3 TRP A 92 23.513 4.155 13.917 1.00 0.00 H new ATOM 0 HD1 TRP A 92 22.279 4.832 10.278 1.00 0.00 H new ATOM 0 HE1 TRP A 92 22.914 2.816 8.790 1.00 0.00 H new ATOM 0 HE3 TRP A 92 24.308 1.831 13.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 24.120 0.307 9.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 25.193 -0.384 13.241 1.00 0.00 H new ATOM 0 HH2 TRP A 92 25.104 -1.130 10.929 1.00 0.00 H new ATOM 1370 N THR A 93 20.373 5.000 15.661 1.00 0.00 N ATOM 1371 CA THR A 93 20.174 5.584 16.982 1.00 0.00 C ATOM 1372 C THR A 93 20.696 4.662 18.076 1.00 0.00 C ATOM 1373 O THR A 93 20.243 3.525 18.211 1.00 0.00 O ATOM 1374 CB THR A 93 18.687 5.894 17.233 1.00 0.00 C ATOM 1375 OG1 THR A 93 18.228 6.857 16.275 1.00 0.00 O ATOM 1376 CG2 THR A 93 18.486 6.445 18.636 1.00 0.00 C ATOM 0 H THR A 93 19.659 4.325 15.387 1.00 0.00 H new ATOM 0 HA THR A 93 20.738 6.516 17.011 1.00 0.00 H new ATOM 0 HB THR A 93 18.117 4.970 17.132 1.00 0.00 H new ATOM 0 HG1 THR A 93 18.677 7.714 16.431 1.00 0.00 H new ATOM 0 HG21 THR A 93 17.429 6.658 18.795 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.822 5.710 19.367 1.00 0.00 H new ATOM 0 HG23 THR A 93 19.063 7.363 18.753 1.00 0.00 H new ATOM 1384 N VAL A 94 21.652 5.158 18.854 1.00 0.00 N ATOM 1385 CA VAL A 94 22.212 4.392 19.962 1.00 0.00 C ATOM 1386 C VAL A 94 21.905 5.054 21.299 1.00 0.00 C ATOM 1387 O VAL A 94 22.010 6.272 21.439 1.00 0.00 O ATOM 1388 CB VAL A 94 23.738 4.255 19.798 1.00 0.00 C ATOM 1389 CG1 VAL A 94 24.394 5.626 19.750 1.00 0.00 C ATOM 1390 CG2 VAL A 94 24.307 3.423 20.938 1.00 0.00 C ATOM 0 H VAL A 94 22.056 6.088 18.738 1.00 0.00 H new ATOM 0 HA VAL A 94 21.752 3.404 19.949 1.00 0.00 H new ATOM 0 HB VAL A 94 23.949 3.748 18.857 1.00 0.00 H new ATOM 0 HG11 VAL A 94 25.472 5.510 19.634 1.00 0.00 H new ATOM 0 HG12 VAL A 94 23.997 6.190 18.906 1.00 0.00 H new ATOM 0 HG13 VAL A 94 24.185 6.162 20.676 1.00 0.00 H new ATOM 0 HG21 VAL A 94 25.386 3.329 20.817 1.00 0.00 H new ATOM 0 HG22 VAL A 94 24.089 3.911 21.888 1.00 0.00 H new ATOM 0 HG23 VAL A 94 23.853 2.432 20.927 1.00 0.00 H new ATOM 1400 N ALA A 95 21.526 4.243 22.281 1.00 0.00 N ATOM 1401 CA ALA A 95 21.160 4.752 23.597 1.00 0.00 C ATOM 1402 C ALA A 95 21.564 3.779 24.697 1.00 0.00 C ATOM 1403 O ALA A 95 21.715 2.581 24.455 1.00 0.00 O ATOM 1404 CB ALA A 95 19.665 5.030 23.660 1.00 0.00 C ATOM 0 H ALA A 95 21.464 3.229 22.190 1.00 0.00 H new ATOM 0 HA ALA A 95 21.700 5.685 23.758 1.00 0.00 H new ATOM 0 HB1 ALA A 95 19.407 5.409 24.649 1.00 0.00 H new ATOM 0 HB2 ALA A 95 19.401 5.772 22.906 1.00 0.00 H new ATOM 0 HB3 ALA A 95 19.115 4.108 23.470 1.00 0.00 H new ATOM 1410 N PRO A 96 21.738 4.300 25.907 1.00 0.00 N ATOM 1411 CA PRO A 96 22.088 3.472 27.054 1.00 0.00 C ATOM 1412 C PRO A 96 21.074 2.354 27.257 1.00 0.00 C ATOM 1413 O PRO A 96 19.871 2.556 27.092 1.00 0.00 O ATOM 1414 CB PRO A 96 22.069 4.469 28.217 1.00 0.00 C ATOM 1415 CG PRO A 96 22.373 5.782 27.579 1.00 0.00 C ATOM 1416 CD PRO A 96 21.657 5.729 26.256 1.00 0.00 C ATOM 0 HA PRO A 96 23.047 2.966 26.944 1.00 0.00 H new ATOM 0 HB2 PRO A 96 21.099 4.483 28.714 1.00 0.00 H new ATOM 0 HB3 PRO A 96 22.811 4.213 28.973 1.00 0.00 H new ATOM 0 HG2 PRO A 96 22.019 6.612 28.190 1.00 0.00 H new ATOM 0 HG3 PRO A 96 23.446 5.920 27.445 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.625 6.069 26.339 1.00 0.00 H new ATOM 0 HD3 PRO A 96 22.140 6.358 25.508 1.00 0.00 H new ATOM 1424 N ALA A 97 21.567 1.173 27.615 1.00 0.00 N ATOM 1425 CA ALA A 97 20.700 0.034 27.894 1.00 0.00 C ATOM 1426 C ALA A 97 21.233 -0.790 29.060 1.00 0.00 C ATOM 1427 O ALA A 97 21.896 -1.808 28.861 1.00 0.00 O ATOM 1428 CB ALA A 97 20.553 -0.836 26.655 1.00 0.00 C ATOM 0 H ALA A 97 22.563 0.980 27.719 1.00 0.00 H new ATOM 0 HA ALA A 97 19.719 0.418 28.173 1.00 0.00 H new ATOM 0 HB1 ALA A 97 19.903 -1.682 26.879 1.00 0.00 H new ATOM 0 HB2 ALA A 97 20.117 -0.248 25.847 1.00 0.00 H new ATOM 0 HB3 ALA A 97 21.533 -1.203 26.349 1.00 0.00 H new ATOM 1434 N GLY A 98 20.938 -0.344 30.276 1.00 0.00 N ATOM 1435 CA GLY A 98 21.381 -1.043 31.476 1.00 0.00 C ATOM 1436 C GLY A 98 22.837 -0.728 31.792 1.00 0.00 C ATOM 1437 O GLY A 98 23.155 0.354 32.286 1.00 0.00 O ATOM 0 H GLY A 98 20.393 0.499 30.457 1.00 0.00 H new ATOM 0 HA2 GLY A 98 20.753 -0.756 32.320 1.00 0.00 H new ATOM 0 HA3 GLY A 98 21.260 -2.118 31.339 1.00 0.00 H new ATOM 1441 N THR A 99 23.719 -1.679 31.503 1.00 0.00 N ATOM 1442 CA THR A 99 25.153 -1.464 31.654 1.00 0.00 C ATOM 1443 C THR A 99 25.848 -1.414 30.299 1.00 0.00 C ATOM 1444 O THR A 99 27.069 -1.281 30.221 1.00 0.00 O ATOM 1445 CB THR A 99 25.790 -2.565 32.521 1.00 0.00 C ATOM 1446 OG1 THR A 99 25.590 -3.842 31.901 1.00 0.00 O ATOM 1447 CG2 THR A 99 25.169 -2.577 33.910 1.00 0.00 C ATOM 0 H THR A 99 23.465 -2.607 31.163 1.00 0.00 H new ATOM 0 HA THR A 99 25.285 -0.503 32.151 1.00 0.00 H new ATOM 0 HB THR A 99 26.857 -2.361 32.613 1.00 0.00 H new ATOM 0 HG1 THR A 99 25.998 -4.541 32.453 1.00 0.00 H new ATOM 0 HG21 THR A 99 25.632 -3.362 34.509 1.00 0.00 H new ATOM 0 HG22 THR A 99 25.331 -1.612 34.389 1.00 0.00 H new ATOM 0 HG23 THR A 99 24.099 -2.766 33.828 1.00 0.00 H new ATOM 1455 N GLY A 100 25.063 -1.522 29.233 1.00 0.00 N ATOM 1456 CA GLY A 100 25.599 -1.473 27.878 1.00 0.00 C ATOM 1457 C GLY A 100 24.866 -0.440 27.032 1.00 0.00 C ATOM 1458 O GLY A 100 24.560 0.656 27.501 1.00 0.00 O ATOM 0 H GLY A 100 24.052 -1.644 29.281 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.661 -1.231 27.913 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.511 -2.455 27.414 1.00 0.00 H new ATOM 1462 N SER A 101 24.586 -0.797 25.783 1.00 0.00 N ATOM 1463 CA SER A 101 23.951 0.123 24.847 1.00 0.00 C ATOM 1464 C SER A 101 22.952 -0.601 23.954 1.00 0.00 C ATOM 1465 O SER A 101 22.917 -1.831 23.916 1.00 0.00 O ATOM 1466 CB SER A 101 25.001 0.808 23.995 1.00 0.00 C ATOM 1467 OG SER A 101 25.761 -0.130 23.284 1.00 0.00 O ATOM 0 H SER A 101 24.789 -1.718 25.395 1.00 0.00 H new ATOM 0 HA SER A 101 23.411 0.872 25.426 1.00 0.00 H new ATOM 0 HB2 SER A 101 24.519 1.494 23.298 1.00 0.00 H new ATOM 0 HB3 SER A 101 25.655 1.406 24.629 1.00 0.00 H new ATOM 0 HG SER A 101 26.635 -0.236 23.714 1.00 0.00 H new ATOM 1473 N SER A 102 22.141 0.169 23.237 1.00 0.00 N ATOM 1474 CA SER A 102 21.161 -0.398 22.317 1.00 0.00 C ATOM 1475 C SER A 102 21.084 0.410 21.028 1.00 0.00 C ATOM 1476 O SER A 102 20.878 1.623 21.057 1.00 0.00 O ATOM 1477 CB SER A 102 19.796 -0.450 22.976 1.00 0.00 C ATOM 1478 OG SER A 102 18.828 -0.932 22.086 1.00 0.00 O ATOM 0 H SER A 102 22.143 1.188 23.275 1.00 0.00 H new ATOM 0 HA SER A 102 21.480 -1.410 22.067 1.00 0.00 H new ATOM 0 HB2 SER A 102 19.837 -1.091 23.856 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.516 0.546 23.320 1.00 0.00 H new ATOM 0 HG SER A 102 17.956 -0.958 22.533 1.00 0.00 H new ATOM 1484 N VAL A 103 21.249 -0.270 19.899 1.00 0.00 N ATOM 1485 CA VAL A 103 21.248 0.391 18.599 1.00 0.00 C ATOM 1486 C VAL A 103 19.964 0.099 17.834 1.00 0.00 C ATOM 1487 O VAL A 103 19.668 -1.052 17.515 1.00 0.00 O ATOM 1488 CB VAL A 103 22.457 -0.070 17.764 1.00 0.00 C ATOM 1489 CG1 VAL A 103 22.433 0.580 16.389 1.00 0.00 C ATOM 1490 CG2 VAL A 103 23.749 0.262 18.496 1.00 0.00 C ATOM 0 H VAL A 103 21.385 -1.280 19.858 1.00 0.00 H new ATOM 0 HA VAL A 103 21.313 1.465 18.773 1.00 0.00 H new ATOM 0 HB VAL A 103 22.402 -1.150 17.628 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.294 0.243 15.812 1.00 0.00 H new ATOM 0 HG12 VAL A 103 21.517 0.299 15.870 1.00 0.00 H new ATOM 0 HG13 VAL A 103 22.471 1.664 16.498 1.00 0.00 H new ATOM 0 HG21 VAL A 103 24.600 -0.067 17.900 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.811 1.339 18.654 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.763 -0.248 19.459 1.00 0.00 H new ATOM 1500 N ASN A 104 19.204 1.149 17.540 1.00 0.00 N ATOM 1501 CA ASN A 104 17.997 1.019 16.734 1.00 0.00 C ATOM 1502 C ASN A 104 18.254 1.424 15.288 1.00 0.00 C ATOM 1503 O ASN A 104 18.373 2.610 14.977 1.00 0.00 O ATOM 1504 CB ASN A 104 16.868 1.843 17.326 1.00 0.00 C ATOM 1505 CG ASN A 104 15.588 1.711 16.549 1.00 0.00 C ATOM 1506 OD1 ASN A 104 15.605 1.527 15.326 1.00 0.00 O ATOM 1507 ND2 ASN A 104 14.476 1.803 17.234 1.00 0.00 N ATOM 0 H ASN A 104 19.404 2.100 17.849 1.00 0.00 H new ATOM 0 HA ASN A 104 17.701 -0.030 16.741 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.697 1.531 18.356 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.165 2.891 17.355 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.577 1.723 16.760 1.00 0.00 H new ATOM 0 HD22 ASN A 104 14.509 1.955 18.242 1.00 0.00 H new ATOM 1514 N LEU A 105 18.340 0.433 14.407 1.00 0.00 N ATOM 1515 CA LEU A 105 18.625 0.682 12.999 1.00 0.00 C ATOM 1516 C LEU A 105 17.350 0.653 12.166 1.00 0.00 C ATOM 1517 O LEU A 105 16.815 -0.416 11.869 1.00 0.00 O ATOM 1518 CB LEU A 105 19.615 -0.362 12.467 1.00 0.00 C ATOM 1519 CG LEU A 105 20.327 0.004 11.158 1.00 0.00 C ATOM 1520 CD1 LEU A 105 21.359 -1.065 10.825 1.00 0.00 C ATOM 1521 CD2 LEU A 105 19.301 0.140 10.043 1.00 0.00 C ATOM 0 H LEU A 105 18.216 -0.551 14.644 1.00 0.00 H new ATOM 0 HA LEU A 105 19.067 1.675 12.917 1.00 0.00 H new ATOM 0 HB2 LEU A 105 20.370 -0.543 13.232 1.00 0.00 H new ATOM 0 HB3 LEU A 105 19.081 -1.300 12.319 1.00 0.00 H new ATOM 0 HG LEU A 105 20.843 0.958 11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 105 21.865 -0.805 9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 105 22.090 -1.128 11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 105 20.861 -2.028 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 105 19.807 0.400 9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 105 18.773 -0.805 9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 105 18.587 0.923 10.299 1.00 0.00 H new ATOM 1533 N LYS A 106 16.868 1.832 11.791 1.00 0.00 N ATOM 1534 CA LYS A 106 15.621 1.948 11.044 1.00 0.00 C ATOM 1535 C LYS A 106 15.863 2.521 9.653 1.00 0.00 C ATOM 1536 O LYS A 106 16.129 3.713 9.501 1.00 0.00 O ATOM 1537 CB LYS A 106 14.619 2.818 11.805 1.00 0.00 C ATOM 1538 CG LYS A 106 13.257 2.941 11.135 1.00 0.00 C ATOM 1539 CD LYS A 106 12.291 3.748 11.990 1.00 0.00 C ATOM 1540 CE LYS A 106 10.933 3.880 11.318 1.00 0.00 C ATOM 1541 NZ LYS A 106 9.971 4.650 12.152 1.00 0.00 N ATOM 0 H LYS A 106 17.323 2.723 11.992 1.00 0.00 H new ATOM 0 HA LYS A 106 15.206 0.947 10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 106 14.483 2.405 12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.042 3.815 11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.370 3.418 10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.846 1.947 10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.173 3.267 12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.706 4.739 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.052 4.373 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.528 2.887 11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.059 4.716 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.837 4.166 13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.344 5.606 12.319 1.00 0.00 H new ATOM 1555 N THR A 107 15.768 1.666 8.641 1.00 0.00 N ATOM 1556 CA THR A 107 15.903 2.100 7.256 1.00 0.00 C ATOM 1557 C THR A 107 14.541 2.359 6.625 1.00 0.00 C ATOM 1558 O THR A 107 13.716 1.452 6.512 1.00 0.00 O ATOM 1559 CB THR A 107 16.671 1.059 6.421 1.00 0.00 C ATOM 1560 OG1 THR A 107 17.999 0.912 6.939 1.00 0.00 O ATOM 1561 CG2 THR A 107 16.744 1.492 4.965 1.00 0.00 C ATOM 0 H THR A 107 15.598 0.667 8.754 1.00 0.00 H new ATOM 0 HA THR A 107 16.469 3.032 7.263 1.00 0.00 H new ATOM 0 HB THR A 107 16.143 0.107 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 107 18.486 0.248 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 107 17.290 0.744 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 107 15.735 1.592 4.564 1.00 0.00 H new ATOM 0 HG23 THR A 107 17.259 2.450 4.896 1.00 0.00 H new ATOM 1569 N THR A 108 14.311 3.601 6.214 1.00 0.00 N ATOM 1570 CA THR A 108 13.040 3.987 5.614 1.00 0.00 C ATOM 1571 C THR A 108 13.159 4.107 4.100 1.00 0.00 C ATOM 1572 O THR A 108 14.246 4.334 3.569 1.00 0.00 O ATOM 1573 CB THR A 108 12.532 5.318 6.200 1.00 0.00 C ATOM 1574 OG1 THR A 108 13.459 6.366 5.887 1.00 0.00 O ATOM 1575 CG2 THR A 108 12.381 5.213 7.710 1.00 0.00 C ATOM 0 H THR A 108 14.990 4.359 6.286 1.00 0.00 H new ATOM 0 HA THR A 108 12.321 3.202 5.848 1.00 0.00 H new ATOM 0 HB THR A 108 11.559 5.542 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.134 7.212 6.259 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.021 6.162 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.667 4.425 7.950 1.00 0.00 H new ATOM 0 HG23 THR A 108 13.347 4.976 8.157 1.00 0.00 H new ATOM 1818 N PRO A 125 11.957 -6.202 1.640 1.00 0.00 N ATOM 1819 CA PRO A 125 12.091 -5.641 2.980 1.00 0.00 C ATOM 1820 C PRO A 125 12.556 -6.697 3.975 1.00 0.00 C ATOM 1821 O PRO A 125 13.213 -6.381 4.967 1.00 0.00 O ATOM 1822 CB PRO A 125 10.672 -5.155 3.293 1.00 0.00 C ATOM 1823 CG PRO A 125 9.800 -5.978 2.407 1.00 0.00 C ATOM 1824 CD PRO A 125 10.599 -6.142 1.142 1.00 0.00 C ATOM 0 HA PRO A 125 12.835 -4.847 3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 125 10.424 -5.302 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 125 10.560 -4.091 3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 125 9.571 -6.943 2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 125 8.849 -5.482 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 125 10.324 -7.048 0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 125 10.453 -5.306 0.458 1.00 0.00 H new ATOM 1832 N LEU A 126 12.210 -7.951 3.704 1.00 0.00 N ATOM 1833 CA LEU A 126 12.618 -9.059 4.560 1.00 0.00 C ATOM 1834 C LEU A 126 14.115 -9.318 4.451 1.00 0.00 C ATOM 1835 O LEU A 126 14.819 -9.376 5.459 1.00 0.00 O ATOM 1836 CB LEU A 126 11.844 -10.330 4.185 1.00 0.00 C ATOM 1837 CG LEU A 126 12.207 -11.589 4.982 1.00 0.00 C ATOM 1838 CD1 LEU A 126 11.932 -11.351 6.461 1.00 0.00 C ATOM 1839 CD2 LEU A 126 11.403 -12.770 4.460 1.00 0.00 C ATOM 0 H LEU A 126 11.648 -8.225 2.898 1.00 0.00 H new ATOM 0 HA LEU A 126 12.391 -8.787 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 126 10.779 -10.136 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.006 -10.533 3.126 1.00 0.00 H new ATOM 0 HG LEU A 126 13.267 -11.814 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.190 -12.246 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.534 -10.513 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 126 10.875 -11.124 6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 126 11.661 -13.665 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 126 10.339 -12.564 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 126 11.632 -12.929 3.406 1.00 0.00 H new ATOM 1851 N GLY A 127 14.596 -9.473 3.222 1.00 0.00 N ATOM 1852 CA GLY A 127 16.006 -9.752 2.981 1.00 0.00 C ATOM 1853 C GLY A 127 16.880 -8.579 3.406 1.00 0.00 C ATOM 1854 O GLY A 127 17.939 -8.767 4.006 1.00 0.00 O ATOM 0 H GLY A 127 14.029 -9.410 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 127 16.301 -10.646 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.162 -9.961 1.923 1.00 0.00 H new ATOM 1858 N LEU A 128 16.431 -7.368 3.092 1.00 0.00 N ATOM 1859 CA LEU A 128 17.186 -6.164 3.415 1.00 0.00 C ATOM 1860 C LEU A 128 17.279 -5.959 4.922 1.00 0.00 C ATOM 1861 O LEU A 128 18.331 -5.591 5.444 1.00 0.00 O ATOM 1862 CB LEU A 128 16.531 -4.938 2.766 1.00 0.00 C ATOM 1863 CG LEU A 128 17.259 -3.604 2.978 1.00 0.00 C ATOM 1864 CD1 LEU A 128 18.690 -3.720 2.471 1.00 0.00 C ATOM 1865 CD2 LEU A 128 16.510 -2.496 2.254 1.00 0.00 C ATOM 0 H LEU A 128 15.547 -7.195 2.614 1.00 0.00 H new ATOM 0 HA LEU A 128 18.195 -6.287 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.447 -5.119 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 128 15.517 -4.843 3.154 1.00 0.00 H new ATOM 0 HG LEU A 128 17.289 -3.361 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 128 19.207 -2.772 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 128 19.208 -4.507 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.681 -3.964 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 128 17.027 -1.548 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 128 16.468 -2.721 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.497 -2.423 2.649 1.00 0.00 H new ATOM 1877 N ARG A 129 16.172 -6.199 5.616 1.00 0.00 N ATOM 1878 CA ARG A 129 16.150 -6.128 7.072 1.00 0.00 C ATOM 1879 C ARG A 129 17.159 -7.090 7.686 1.00 0.00 C ATOM 1880 O ARG A 129 17.859 -6.746 8.638 1.00 0.00 O ATOM 1881 CB ARG A 129 14.760 -6.449 7.603 1.00 0.00 C ATOM 1882 CG ARG A 129 14.575 -6.214 9.094 1.00 0.00 C ATOM 1883 CD ARG A 129 13.182 -6.494 9.525 1.00 0.00 C ATOM 1884 NE ARG A 129 12.945 -6.077 10.897 1.00 0.00 N ATOM 1885 CZ ARG A 129 11.932 -6.521 11.668 1.00 0.00 C ATOM 1886 NH1 ARG A 129 11.074 -7.394 11.187 1.00 0.00 N ATOM 1887 NH2 ARG A 129 11.802 -6.080 12.907 1.00 0.00 N ATOM 0 H ARG A 129 15.277 -6.445 5.193 1.00 0.00 H new ATOM 0 HA ARG A 129 16.419 -5.110 7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 129 14.032 -5.845 7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 129 14.535 -7.493 7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 129 15.263 -6.850 9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 129 14.830 -5.182 9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.487 -5.978 8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 129 12.980 -7.561 9.430 1.00 0.00 H new ATOM 0 HE ARG A 129 13.590 -5.401 11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 129 11.175 -7.735 10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 129 10.307 -7.730 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 129 12.468 -5.404 13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 129 11.036 -6.416 13.490 1.00 0.00 H new ATOM 1901 N ARG A 130 17.229 -8.297 7.135 1.00 0.00 N ATOM 1902 CA ARG A 130 18.229 -9.273 7.552 1.00 0.00 C ATOM 1903 C ARG A 130 19.640 -8.738 7.346 1.00 0.00 C ATOM 1904 O ARG A 130 20.488 -8.838 8.232 1.00 0.00 O ATOM 1905 CB ARG A 130 18.064 -10.573 6.778 1.00 0.00 C ATOM 1906 CG ARG A 130 19.152 -11.606 7.024 1.00 0.00 C ATOM 1907 CD ARG A 130 18.987 -12.796 6.151 1.00 0.00 C ATOM 1908 NE ARG A 130 18.986 -12.438 4.741 1.00 0.00 N ATOM 1909 CZ ARG A 130 20.093 -12.195 4.013 1.00 0.00 C ATOM 1910 NH1 ARG A 130 21.279 -12.276 4.573 1.00 0.00 N ATOM 1911 NH2 ARG A 130 19.986 -11.876 2.735 1.00 0.00 N ATOM 0 H ARG A 130 16.604 -8.623 6.398 1.00 0.00 H new ATOM 0 HA ARG A 130 18.078 -9.463 8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 130 17.101 -11.013 7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 130 18.035 -10.344 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 130 20.128 -11.156 6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 130 19.130 -11.915 8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 130 19.793 -13.504 6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 130 18.053 -13.301 6.398 1.00 0.00 H new ATOM 0 HE ARG A 130 18.084 -12.366 4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 130 21.362 -12.523 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 130 22.117 -12.092 4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 130 19.065 -11.814 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 130 20.824 -11.692 2.183 1.00 0.00 H new ATOM 1925 N ILE A 131 19.886 -8.170 6.170 1.00 0.00 N ATOM 1926 CA ILE A 131 21.200 -7.633 5.838 1.00 0.00 C ATOM 1927 C ILE A 131 21.651 -6.604 6.867 1.00 0.00 C ATOM 1928 O ILE A 131 22.794 -6.629 7.324 1.00 0.00 O ATOM 1929 CB ILE A 131 21.194 -6.992 4.438 1.00 0.00 C ATOM 1930 CG1 ILE A 131 21.040 -8.067 3.359 1.00 0.00 C ATOM 1931 CG2 ILE A 131 22.467 -6.189 4.216 1.00 0.00 C ATOM 1932 CD1 ILE A 131 20.749 -7.514 1.983 1.00 0.00 C ATOM 0 H ILE A 131 19.191 -8.070 5.430 1.00 0.00 H new ATOM 0 HA ILE A 131 21.902 -8.467 5.845 1.00 0.00 H new ATOM 0 HB ILE A 131 20.344 -6.313 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 131 21.954 -8.659 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 131 20.235 -8.744 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 131 22.447 -5.743 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 131 22.536 -5.401 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 131 23.332 -6.847 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 131 20.653 -8.336 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 131 19.819 -6.946 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 131 21.565 -6.860 1.674 1.00 0.00 H new ATOM 1944 N GLN A 132 20.747 -5.700 7.227 1.00 0.00 N ATOM 1945 CA GLN A 132 21.052 -4.656 8.198 1.00 0.00 C ATOM 1946 C GLN A 132 21.254 -5.240 9.591 1.00 0.00 C ATOM 1947 O GLN A 132 22.094 -4.769 10.356 1.00 0.00 O ATOM 1948 CB GLN A 132 19.936 -3.608 8.228 1.00 0.00 C ATOM 1949 CG GLN A 132 19.800 -2.808 6.944 1.00 0.00 C ATOM 1950 CD GLN A 132 21.075 -2.069 6.584 1.00 0.00 C ATOM 1951 OE1 GLN A 132 21.713 -1.450 7.441 1.00 0.00 O ATOM 1952 NE2 GLN A 132 21.454 -2.128 5.313 1.00 0.00 N ATOM 0 H GLN A 132 19.796 -5.669 6.860 1.00 0.00 H new ATOM 0 HA GLN A 132 21.981 -4.177 7.889 1.00 0.00 H new ATOM 0 HB2 GLN A 132 18.989 -4.107 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 132 20.120 -2.921 9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 132 19.530 -3.479 6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 132 18.986 -2.091 7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 132 20.896 -2.651 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 132 22.303 -1.650 5.011 1.00 0.00 H new ATOM 1961 N ASP A 133 20.477 -6.269 9.913 1.00 0.00 N ATOM 1962 CA ASP A 133 20.583 -6.933 11.207 1.00 0.00 C ATOM 1963 C ASP A 133 21.926 -7.638 11.356 1.00 0.00 C ATOM 1964 O ASP A 133 22.523 -7.634 12.432 1.00 0.00 O ATOM 1965 CB ASP A 133 19.447 -7.944 11.386 1.00 0.00 C ATOM 1966 CG ASP A 133 19.348 -8.477 12.808 1.00 0.00 C ATOM 1967 OD1 ASP A 133 18.955 -7.733 13.675 1.00 0.00 O ATOM 1968 OD2 ASP A 133 19.666 -9.624 13.015 1.00 0.00 O ATOM 0 H ASP A 133 19.767 -6.661 9.295 1.00 0.00 H new ATOM 0 HA ASP A 133 20.507 -6.167 11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 133 18.502 -7.474 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 133 19.598 -8.778 10.700 1.00 0.00 H new ATOM 1973 N GLU A 134 22.395 -8.242 10.269 1.00 0.00 N ATOM 1974 CA GLU A 134 23.672 -8.945 10.275 1.00 0.00 C ATOM 1975 C GLU A 134 24.827 -7.987 10.542 1.00 0.00 C ATOM 1976 O GLU A 134 25.781 -8.329 11.241 1.00 0.00 O ATOM 1977 CB GLU A 134 23.892 -9.664 8.943 1.00 0.00 C ATOM 1978 CG GLU A 134 22.991 -10.871 8.724 1.00 0.00 C ATOM 1979 CD GLU A 134 23.112 -11.449 7.342 1.00 0.00 C ATOM 1980 OE1 GLU A 134 23.839 -10.899 6.550 1.00 0.00 O ATOM 1981 OE2 GLU A 134 22.477 -12.443 7.077 1.00 0.00 O ATOM 0 H GLU A 134 21.909 -8.258 9.372 1.00 0.00 H new ATOM 0 HA GLU A 134 23.643 -9.681 11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 134 23.733 -8.955 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 134 24.932 -9.987 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 134 23.238 -11.640 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 134 21.955 -10.582 8.902 1.00 0.00 H new ATOM 1988 N VAL A 135 24.735 -6.786 9.982 1.00 0.00 N ATOM 1989 CA VAL A 135 25.731 -5.749 10.224 1.00 0.00 C ATOM 1990 C VAL A 135 25.733 -5.318 11.684 1.00 0.00 C ATOM 1991 O VAL A 135 26.790 -5.092 12.274 1.00 0.00 O ATOM 1992 CB VAL A 135 25.456 -4.525 9.330 1.00 0.00 C ATOM 1993 CG1 VAL A 135 26.357 -3.365 9.724 1.00 0.00 C ATOM 1994 CG2 VAL A 135 25.660 -4.895 7.869 1.00 0.00 C ATOM 0 H VAL A 135 23.980 -6.506 9.356 1.00 0.00 H new ATOM 0 HA VAL A 135 26.709 -6.166 9.982 1.00 0.00 H new ATOM 0 HB VAL A 135 24.422 -4.211 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 135 26.149 -2.509 9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 135 26.168 -3.094 10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 135 27.400 -3.659 9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 135 25.464 -4.025 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 135 26.687 -5.227 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 135 24.975 -5.699 7.598 1.00 0.00 H new ATOM 2004 N LEU A 136 24.542 -5.204 12.264 1.00 0.00 N ATOM 2005 CA LEU A 136 24.407 -4.871 13.677 1.00 0.00 C ATOM 2006 C LEU A 136 25.063 -5.926 14.558 1.00 0.00 C ATOM 2007 O LEU A 136 25.687 -5.605 15.569 1.00 0.00 O ATOM 2008 CB LEU A 136 22.925 -4.734 14.050 1.00 0.00 C ATOM 2009 CG LEU A 136 22.213 -3.492 13.500 1.00 0.00 C ATOM 2010 CD1 LEU A 136 20.719 -3.601 13.769 1.00 0.00 C ATOM 2011 CD2 LEU A 136 22.795 -2.244 14.147 1.00 0.00 C ATOM 0 H LEU A 136 23.656 -5.338 11.776 1.00 0.00 H new ATOM 0 HA LEU A 136 24.913 -3.920 13.846 1.00 0.00 H new ATOM 0 HB2 LEU A 136 22.397 -5.619 13.696 1.00 0.00 H new ATOM 0 HB3 LEU A 136 22.842 -4.726 15.137 1.00 0.00 H new ATOM 0 HG LEU A 136 22.364 -3.423 12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 136 20.214 -2.718 13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 136 20.325 -4.491 13.279 1.00 0.00 H new ATOM 0 HD13 LEU A 136 20.547 -3.672 14.843 1.00 0.00 H new ATOM 0 HD21 LEU A 136 22.289 -1.362 13.756 1.00 0.00 H new ATOM 0 HD22 LEU A 136 22.654 -2.294 15.227 1.00 0.00 H new ATOM 0 HD23 LEU A 136 23.860 -2.181 13.923 1.00 0.00 H new ATOM 2023 N GLU A 137 24.918 -7.188 14.168 1.00 0.00 N ATOM 2024 CA GLU A 137 25.535 -8.291 14.895 1.00 0.00 C ATOM 2025 C GLU A 137 27.055 -8.219 14.819 1.00 0.00 C ATOM 2026 O GLU A 137 27.748 -8.457 15.808 1.00 0.00 O ATOM 2027 CB GLU A 137 25.049 -9.633 14.343 1.00 0.00 C ATOM 2028 CG GLU A 137 25.608 -10.850 15.067 1.00 0.00 C ATOM 2029 CD GLU A 137 25.146 -10.944 16.494 1.00 0.00 C ATOM 2030 OE1 GLU A 137 24.149 -10.345 16.817 1.00 0.00 O ATOM 2031 OE2 GLU A 137 25.791 -11.618 17.263 1.00 0.00 O ATOM 0 H GLU A 137 24.378 -7.472 13.351 1.00 0.00 H new ATOM 0 HA GLU A 137 25.240 -8.207 15.941 1.00 0.00 H new ATOM 0 HB2 GLU A 137 23.961 -9.662 14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 137 25.318 -9.697 13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 137 25.310 -11.753 14.534 1.00 0.00 H new ATOM 0 HG3 GLU A 137 26.697 -10.811 15.045 1.00 0.00 H new ATOM 2038 N ASN A 138 27.567 -7.890 13.638 1.00 0.00 N ATOM 2039 CA ASN A 138 29.002 -7.710 13.449 1.00 0.00 C ATOM 2040 C ASN A 138 29.516 -6.514 14.239 1.00 0.00 C ATOM 2041 O ASN A 138 30.606 -6.557 14.810 1.00 0.00 O ATOM 2042 CB ASN A 138 29.332 -7.559 11.975 1.00 0.00 C ATOM 2043 CG ASN A 138 29.183 -8.848 11.215 1.00 0.00 C ATOM 2044 OD1 ASN A 138 29.213 -9.936 11.801 1.00 0.00 O ATOM 2045 ND2 ASN A 138 29.022 -8.746 9.920 1.00 0.00 N ATOM 0 H ASN A 138 27.009 -7.742 12.797 1.00 0.00 H new ATOM 0 HA ASN A 138 29.504 -8.601 13.826 1.00 0.00 H new ATOM 0 HB2 ASN A 138 28.679 -6.805 11.536 1.00 0.00 H new ATOM 0 HB3 ASN A 138 30.354 -7.196 11.871 1.00 0.00 H new ATOM 0 HD21 ASN A 138 28.915 -9.586 9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 138 29.004 -7.826 9.479 1.00 0.00 H new ATOM 2052 N LEU A 139 28.726 -5.446 14.267 1.00 0.00 N ATOM 2053 CA LEU A 139 29.052 -4.273 15.068 1.00 0.00 C ATOM 2054 C LEU A 139 29.187 -4.633 16.542 1.00 0.00 C ATOM 2055 O LEU A 139 30.172 -4.278 17.190 1.00 0.00 O ATOM 2056 CB LEU A 139 27.973 -3.196 14.896 1.00 0.00 C ATOM 2057 CG LEU A 139 28.145 -1.938 15.756 1.00 0.00 C ATOM 2058 CD1 LEU A 139 29.452 -1.248 15.391 1.00 0.00 C ATOM 2059 CD2 LEU A 139 26.959 -1.010 15.541 1.00 0.00 C ATOM 0 H LEU A 139 27.854 -5.369 13.743 1.00 0.00 H new ATOM 0 HA LEU A 139 30.009 -3.886 14.719 1.00 0.00 H new ATOM 0 HB2 LEU A 139 27.948 -2.897 13.848 1.00 0.00 H new ATOM 0 HB3 LEU A 139 27.004 -3.639 15.124 1.00 0.00 H new ATOM 0 HG LEU A 139 28.182 -2.210 16.811 1.00 0.00 H new ATOM 0 HD11 LEU A 139 29.574 -0.354 16.002 1.00 0.00 H new ATOM 0 HD12 LEU A 139 30.285 -1.928 15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 139 29.434 -0.968 14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 139 27.081 -0.116 16.152 1.00 0.00 H new ATOM 0 HD22 LEU A 139 26.905 -0.726 14.490 1.00 0.00 H new ATOM 0 HD23 LEU A 139 26.040 -1.522 15.827 1.00 0.00 H new ATOM 2071 N LYS A 140 28.192 -5.339 17.067 1.00 0.00 N ATOM 2072 CA LYS A 140 28.226 -5.801 18.450 1.00 0.00 C ATOM 2073 C LYS A 140 29.534 -6.517 18.760 1.00 0.00 C ATOM 2074 O LYS A 140 30.241 -6.160 19.702 1.00 0.00 O ATOM 2075 CB LYS A 140 27.040 -6.723 18.736 1.00 0.00 C ATOM 2076 CG LYS A 140 26.988 -7.256 20.162 1.00 0.00 C ATOM 2077 CD LYS A 140 25.770 -8.143 20.376 1.00 0.00 C ATOM 2078 CE LYS A 140 25.647 -8.574 21.830 1.00 0.00 C ATOM 2079 NZ LYS A 140 26.682 -9.576 22.204 1.00 0.00 N ATOM 0 H LYS A 140 27.351 -5.604 16.555 1.00 0.00 H new ATOM 0 HA LYS A 140 28.157 -4.925 19.096 1.00 0.00 H new ATOM 0 HB2 LYS A 140 26.117 -6.182 18.529 1.00 0.00 H new ATOM 0 HB3 LYS A 140 27.076 -7.567 18.047 1.00 0.00 H new ATOM 0 HG2 LYS A 140 27.895 -7.822 20.374 1.00 0.00 H new ATOM 0 HG3 LYS A 140 26.961 -6.422 20.864 1.00 0.00 H new ATOM 0 HD2 LYS A 140 24.870 -7.606 20.076 1.00 0.00 H new ATOM 0 HD3 LYS A 140 25.843 -9.024 19.738 1.00 0.00 H new ATOM 0 HE2 LYS A 140 25.738 -7.701 22.476 1.00 0.00 H new ATOM 0 HE3 LYS A 140 24.656 -8.995 22.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 26.348 -10.134 23.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 26.860 -10.209 21.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 27.563 -9.086 22.461 1.00 0.00 H new ATOM 2093 N LYS A 141 29.852 -7.530 17.961 1.00 0.00 N ATOM 2094 CA LYS A 141 31.047 -8.334 18.182 1.00 0.00 C ATOM 2095 C LYS A 141 32.310 -7.492 18.050 1.00 0.00 C ATOM 2096 O LYS A 141 33.283 -7.697 18.776 1.00 0.00 O ATOM 2097 CB LYS A 141 31.093 -9.507 17.201 1.00 0.00 C ATOM 2098 CG LYS A 141 30.039 -10.578 17.452 1.00 0.00 C ATOM 2099 CD LYS A 141 30.133 -11.697 16.425 1.00 0.00 C ATOM 2100 CE LYS A 141 29.076 -12.763 16.668 1.00 0.00 C ATOM 2101 NZ LYS A 141 29.141 -13.853 15.657 1.00 0.00 N ATOM 0 H LYS A 141 29.297 -7.814 17.153 1.00 0.00 H new ATOM 0 HA LYS A 141 31.002 -8.724 19.199 1.00 0.00 H new ATOM 0 HB2 LYS A 141 30.970 -9.123 16.188 1.00 0.00 H new ATOM 0 HB3 LYS A 141 32.080 -9.967 17.249 1.00 0.00 H new ATOM 0 HG2 LYS A 141 30.166 -10.989 18.454 1.00 0.00 H new ATOM 0 HG3 LYS A 141 29.046 -10.130 17.415 1.00 0.00 H new ATOM 0 HD2 LYS A 141 30.013 -11.285 15.423 1.00 0.00 H new ATOM 0 HD3 LYS A 141 31.124 -12.149 16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 141 29.208 -13.184 17.664 1.00 0.00 H new ATOM 0 HE3 LYS A 141 28.087 -12.305 16.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 28.404 -14.558 15.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 28.989 -13.456 14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 30.075 -14.308 15.696 1.00 0.00 H new ATOM 2115 N HIS A 142 32.288 -6.544 17.120 1.00 0.00 N ATOM 2116 CA HIS A 142 33.452 -5.709 16.849 1.00 0.00 C ATOM 2117 C HIS A 142 33.838 -4.888 18.073 1.00 0.00 C ATOM 2118 O HIS A 142 34.989 -4.910 18.509 1.00 0.00 O ATOM 2119 CB HIS A 142 33.185 -4.775 15.664 1.00 0.00 C ATOM 2120 CG HIS A 142 34.357 -3.920 15.296 1.00 0.00 C ATOM 2121 ND1 HIS A 142 35.418 -4.391 14.551 1.00 0.00 N ATOM 2122 CD2 HIS A 142 34.637 -2.624 15.571 1.00 0.00 C ATOM 2123 CE1 HIS A 142 36.299 -3.421 14.383 1.00 0.00 C ATOM 2124 NE2 HIS A 142 35.849 -2.339 14.992 1.00 0.00 N ATOM 0 H HIS A 142 31.475 -6.334 16.540 1.00 0.00 H new ATOM 0 HA HIS A 142 34.281 -6.372 16.600 1.00 0.00 H new ATOM 0 HB2 HIS A 142 32.897 -5.373 14.799 1.00 0.00 H new ATOM 0 HB3 HIS A 142 32.338 -4.132 15.903 1.00 0.00 H new ATOM 0 HD1 HIS A 142 35.508 -5.340 14.187 1.00 0.00 H new ATOM 0 HD2 HIS A 142 34.022 -1.942 16.139 1.00 0.00 H new ATOM 0 HE1 HIS A 142 37.229 -3.500 13.840 1.00 0.00 H new ATOM 2132 N VAL A 143 32.869 -4.164 18.623 1.00 0.00 N ATOM 2133 CA VAL A 143 33.131 -3.240 19.719 1.00 0.00 C ATOM 2134 C VAL A 143 33.180 -3.970 21.055 1.00 0.00 C ATOM 2135 O VAL A 143 33.799 -3.498 22.009 1.00 0.00 O ATOM 2136 CB VAL A 143 32.044 -2.150 19.772 1.00 0.00 C ATOM 2137 CG1 VAL A 143 31.975 -1.402 18.449 1.00 0.00 C ATOM 2138 CG2 VAL A 143 30.699 -2.777 20.106 1.00 0.00 C ATOM 0 H VAL A 143 31.894 -4.200 18.327 1.00 0.00 H new ATOM 0 HA VAL A 143 34.102 -2.779 19.538 1.00 0.00 H new ATOM 0 HB VAL A 143 32.299 -1.433 20.553 1.00 0.00 H new ATOM 0 HG11 VAL A 143 31.202 -0.636 18.504 1.00 0.00 H new ATOM 0 HG12 VAL A 143 32.937 -0.932 18.246 1.00 0.00 H new ATOM 0 HG13 VAL A 143 31.736 -2.101 17.648 1.00 0.00 H new ATOM 0 HG21 VAL A 143 29.935 -2.001 20.142 1.00 0.00 H new ATOM 0 HG22 VAL A 143 30.438 -3.508 19.341 1.00 0.00 H new ATOM 0 HG23 VAL A 143 30.759 -3.272 21.075 1.00 0.00 H new ATOM 2148 N GLU A 144 32.523 -5.123 21.118 1.00 0.00 N ATOM 2149 CA GLU A 144 32.481 -5.915 22.341 1.00 0.00 C ATOM 2150 C GLU A 144 33.778 -6.690 22.539 1.00 0.00 C ATOM 2151 O GLU A 144 34.393 -6.627 23.604 1.00 0.00 O ATOM 2152 CB GLU A 144 31.297 -6.884 22.309 1.00 0.00 C ATOM 2153 CG GLU A 144 31.126 -7.710 23.576 1.00 0.00 C ATOM 2154 CD GLU A 144 29.897 -8.575 23.549 1.00 0.00 C ATOM 2155 OE1 GLU A 144 29.238 -8.606 22.538 1.00 0.00 O ATOM 2156 OE2 GLU A 144 29.617 -9.206 24.541 1.00 0.00 O ATOM 0 H GLU A 144 32.012 -5.530 20.335 1.00 0.00 H new ATOM 0 HA GLU A 144 32.359 -5.228 23.179 1.00 0.00 H new ATOM 0 HB2 GLU A 144 30.383 -6.316 22.134 1.00 0.00 H new ATOM 0 HB3 GLU A 144 31.419 -7.560 21.463 1.00 0.00 H new ATOM 0 HG2 GLU A 144 32.005 -8.340 23.714 1.00 0.00 H new ATOM 0 HG3 GLU A 144 31.075 -7.041 24.435 1.00 0.00 H new ATOM 2163 N GLY A 145 34.188 -7.421 21.508 1.00 0.00 N ATOM 2164 CA GLY A 145 35.410 -8.215 21.570 1.00 0.00 C ATOM 2165 C GLY A 145 35.186 -9.613 21.008 1.00 0.00 C ATOM 2166 O GLY A 145 35.189 -9.790 19.822 1.00 0.00 O ATOM 2167 OXT GLY A 145 35.008 -10.537 21.753 1.00 0.00 O ATOM 0 H GLY A 145 33.692 -7.480 20.619 1.00 0.00 H new ATOM 0 HA2 GLY A 145 36.200 -7.716 21.008 1.00 0.00 H new ATOM 0 HA3 GLY A 145 35.749 -8.285 22.603 1.00 0.00 H new