USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 860 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 57 HIS : no HD1:sc= -6.17! C(o=-6.1!,f=-5.1!) USER MOD Set 1.2: A 78 THR OG1 : rot 160:sc= 0.0389 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0918 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 140:sc= -0.626 USER MOD Single : A 12 SER OG : rot -20:sc= 0.768 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 130:sc= -0.0353 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.51! C(o=-3.5!,f=-7.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 1.22 (180deg=1.09) USER MOD Single : A 62 SER OG : rot 180:sc= -0.352 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0555 K(o=-0.056,f=-1.3) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 74 SER OG : rot 180:sc= 0.62 USER MOD Single : A 75 SER OG : rot 47:sc= 0.145 USER MOD Single : A 76 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.761 K(o=-0.76,f=-4.6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.00703 X(o=-0.007,f=0) USER MOD Single : A 89 THR OG1 : rot -21:sc= 0.075 USER MOD Single : A 90 SER OG : rot 19:sc= 0.604 USER MOD Single : A 92 ASN : amide:sc= -2.03! C(o=-2!,f=-2.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0733 USER MOD Single : A 106 SER OG : rot 180:sc= -0.125 USER MOD Single : A 110 ASN : amide:sc= -2.98! K(o=-3!,f=-1.2) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.327 -2.648 8.542 1.00 0.00 N ATOM 2 CA GLY A 1 -32.322 -2.508 7.502 1.00 0.00 C ATOM 3 C GLY A 1 -32.255 -3.764 6.631 1.00 0.00 C ATOM 4 O GLY A 1 -33.115 -4.638 6.729 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.893 -1.777 8.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.949 -3.451 8.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.860 -2.816 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.554 -1.643 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.348 -2.323 7.955 1.00 0.00 H new ATOM 8 N SER A 2 -31.225 -3.815 5.799 1.00 0.00 N ATOM 9 CA SER A 2 -31.035 -4.949 4.911 1.00 0.00 C ATOM 10 C SER A 2 -29.558 -5.350 4.884 1.00 0.00 C ATOM 11 O SER A 2 -28.692 -4.569 5.274 1.00 0.00 O ATOM 12 CB SER A 2 -31.525 -4.631 3.497 1.00 0.00 C ATOM 13 OG SER A 2 -31.566 -5.793 2.673 1.00 0.00 O ATOM 0 H SER A 2 -30.513 -3.089 5.721 1.00 0.00 H new ATOM 0 HA SER A 2 -31.625 -5.783 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.520 -4.188 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.868 -3.888 3.044 1.00 0.00 H new ATOM 0 HG SER A 2 -31.885 -5.549 1.779 1.00 0.00 H new ATOM 19 N SER A 3 -29.317 -6.567 4.418 1.00 0.00 N ATOM 20 CA SER A 3 -27.961 -7.081 4.334 1.00 0.00 C ATOM 21 C SER A 3 -27.284 -6.566 3.063 1.00 0.00 C ATOM 22 O SER A 3 -27.956 -6.117 2.136 1.00 0.00 O ATOM 23 CB SER A 3 -27.948 -8.610 4.360 1.00 0.00 C ATOM 24 OG SER A 3 -26.677 -9.128 4.744 1.00 0.00 O ATOM 0 H SER A 3 -30.038 -7.212 4.095 1.00 0.00 H new ATOM 0 HA SER A 3 -27.407 -6.726 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.709 -8.967 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.212 -8.991 3.374 1.00 0.00 H new ATOM 0 HG SER A 3 -26.711 -10.107 4.750 1.00 0.00 H new ATOM 30 N GLY A 4 -25.961 -6.649 3.059 1.00 0.00 N ATOM 31 CA GLY A 4 -25.186 -6.198 1.916 1.00 0.00 C ATOM 32 C GLY A 4 -25.224 -7.228 0.786 1.00 0.00 C ATOM 33 O GLY A 4 -26.292 -7.721 0.426 1.00 0.00 O ATOM 0 H GLY A 4 -25.407 -7.022 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.579 -5.246 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.154 -6.023 2.219 1.00 0.00 H new ATOM 37 N SER A 5 -24.045 -7.523 0.258 1.00 0.00 N ATOM 38 CA SER A 5 -23.930 -8.486 -0.824 1.00 0.00 C ATOM 39 C SER A 5 -22.456 -8.776 -1.112 1.00 0.00 C ATOM 40 O SER A 5 -21.653 -7.853 -1.246 1.00 0.00 O ATOM 41 CB SER A 5 -24.629 -7.981 -2.088 1.00 0.00 C ATOM 42 OG SER A 5 -24.915 -9.039 -2.999 1.00 0.00 O ATOM 0 H SER A 5 -23.161 -7.112 0.559 1.00 0.00 H new ATOM 0 HA SER A 5 -24.421 -9.408 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.556 -7.479 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.999 -7.240 -2.579 1.00 0.00 H new ATOM 0 HG SER A 5 -25.362 -8.676 -3.792 1.00 0.00 H new ATOM 48 N SER A 6 -22.144 -10.061 -1.199 1.00 0.00 N ATOM 49 CA SER A 6 -20.780 -10.483 -1.469 1.00 0.00 C ATOM 50 C SER A 6 -20.599 -10.742 -2.966 1.00 0.00 C ATOM 51 O SER A 6 -21.009 -11.785 -3.473 1.00 0.00 O ATOM 52 CB SER A 6 -20.422 -11.735 -0.667 1.00 0.00 C ATOM 53 OG SER A 6 -20.596 -11.540 0.734 1.00 0.00 O ATOM 0 H SER A 6 -22.812 -10.823 -1.087 1.00 0.00 H new ATOM 0 HA SER A 6 -20.107 -9.683 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.044 -12.567 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.387 -12.011 -0.869 1.00 0.00 H new ATOM 0 HG SER A 6 -20.359 -12.363 1.211 1.00 0.00 H new ATOM 59 N GLY A 7 -19.985 -9.775 -3.632 1.00 0.00 N ATOM 60 CA GLY A 7 -19.745 -9.885 -5.061 1.00 0.00 C ATOM 61 C GLY A 7 -18.263 -10.129 -5.350 1.00 0.00 C ATOM 62 O GLY A 7 -17.781 -11.255 -5.239 1.00 0.00 O ATOM 0 H GLY A 7 -19.646 -8.911 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.339 -10.702 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.071 -8.972 -5.560 1.00 0.00 H new ATOM 66 N MET A 8 -17.580 -9.054 -5.717 1.00 0.00 N ATOM 67 CA MET A 8 -16.162 -9.137 -6.023 1.00 0.00 C ATOM 68 C MET A 8 -15.389 -9.782 -4.871 1.00 0.00 C ATOM 69 O MET A 8 -15.888 -9.860 -3.750 1.00 0.00 O ATOM 70 CB MET A 8 -15.613 -7.733 -6.283 1.00 0.00 C ATOM 71 CG MET A 8 -15.595 -6.904 -4.997 1.00 0.00 C ATOM 72 SD MET A 8 -15.757 -5.169 -5.386 1.00 0.00 S ATOM 73 CE MET A 8 -17.532 -5.046 -5.522 1.00 0.00 C ATOM 0 H MET A 8 -17.982 -8.121 -5.809 1.00 0.00 H new ATOM 0 HA MET A 8 -16.037 -9.756 -6.911 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.604 -7.803 -6.689 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.225 -7.233 -7.034 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.409 -7.216 -4.342 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.665 -7.078 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.808 -4.020 -5.763 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.883 -5.711 -6.311 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.990 -5.332 -4.575 1.00 0.00 H new ATOM 83 N VAL A 9 -14.182 -10.229 -5.188 1.00 0.00 N ATOM 84 CA VAL A 9 -13.335 -10.866 -4.194 1.00 0.00 C ATOM 85 C VAL A 9 -12.116 -9.981 -3.926 1.00 0.00 C ATOM 86 O VAL A 9 -11.965 -8.926 -4.540 1.00 0.00 O ATOM 87 CB VAL A 9 -12.961 -12.277 -4.651 1.00 0.00 C ATOM 88 CG1 VAL A 9 -14.209 -13.137 -4.854 1.00 0.00 C ATOM 89 CG2 VAL A 9 -12.112 -12.233 -5.924 1.00 0.00 C ATOM 0 H VAL A 9 -13.771 -10.162 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.870 -10.976 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.363 -12.737 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.914 -14.135 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.758 -13.208 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.845 -12.682 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.859 -13.249 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.675 -11.745 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.197 -11.674 -5.732 1.00 0.00 H new ATOM 99 N THR A 10 -11.279 -10.443 -3.010 1.00 0.00 N ATOM 100 CA THR A 10 -10.078 -9.706 -2.654 1.00 0.00 C ATOM 101 C THR A 10 -10.443 -8.330 -2.092 1.00 0.00 C ATOM 102 O THR A 10 -11.040 -7.510 -2.788 1.00 0.00 O ATOM 103 CB THR A 10 -9.181 -9.639 -3.891 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.109 -10.989 -4.342 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.733 -9.284 -3.546 1.00 0.00 C ATOM 0 H THR A 10 -11.408 -11.319 -2.503 1.00 0.00 H new ATOM 0 HA THR A 10 -9.525 -10.209 -1.861 1.00 0.00 H new ATOM 0 HB THR A 10 -9.579 -8.902 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.153 -11.010 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.139 -9.250 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.704 -8.310 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.323 -10.039 -2.875 1.00 0.00 H new ATOM 113 N PRO A 11 -10.060 -8.115 -0.806 1.00 0.00 N ATOM 114 CA PRO A 11 -10.340 -6.853 -0.143 1.00 0.00 C ATOM 115 C PRO A 11 -9.404 -5.750 -0.643 1.00 0.00 C ATOM 116 O PRO A 11 -8.213 -5.986 -0.843 1.00 0.00 O ATOM 117 CB PRO A 11 -10.177 -7.143 1.341 1.00 0.00 C ATOM 118 CG PRO A 11 -9.363 -8.423 1.428 1.00 0.00 C ATOM 119 CD PRO A 11 -9.351 -9.063 0.049 1.00 0.00 C ATOM 0 HA PRO A 11 -11.342 -6.481 -0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.669 -6.322 1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.147 -7.263 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.347 -8.207 1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.798 -9.103 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.332 -9.228 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.846 -10.034 0.059 1.00 0.00 H new ATOM 127 N SER A 12 -9.978 -4.571 -0.830 1.00 0.00 N ATOM 128 CA SER A 12 -9.210 -3.432 -1.303 1.00 0.00 C ATOM 129 C SER A 12 -8.048 -3.151 -0.348 1.00 0.00 C ATOM 130 O SER A 12 -8.115 -3.490 0.832 1.00 0.00 O ATOM 131 CB SER A 12 -10.094 -2.191 -1.443 1.00 0.00 C ATOM 132 OG SER A 12 -10.099 -1.686 -2.776 1.00 0.00 O ATOM 0 H SER A 12 -10.966 -4.380 -0.663 1.00 0.00 H new ATOM 0 HA SER A 12 -8.812 -3.674 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.113 -2.436 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.741 -1.416 -0.763 1.00 0.00 H new ATOM 0 HG SER A 12 -9.316 -2.026 -3.258 1.00 0.00 H new ATOM 138 N LEU A 13 -7.011 -2.534 -0.894 1.00 0.00 N ATOM 139 CA LEU A 13 -5.836 -2.203 -0.105 1.00 0.00 C ATOM 140 C LEU A 13 -5.999 -0.799 0.479 1.00 0.00 C ATOM 141 O LEU A 13 -5.965 0.190 -0.252 1.00 0.00 O ATOM 142 CB LEU A 13 -4.565 -2.380 -0.938 1.00 0.00 C ATOM 143 CG LEU A 13 -3.245 -2.339 -0.164 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.266 -3.324 1.006 1.00 0.00 C ATOM 145 CD2 LEU A 13 -2.056 -2.580 -1.095 1.00 0.00 C ATOM 0 H LEU A 13 -6.960 -2.254 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.736 -2.888 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.627 -3.334 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.542 -1.600 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.126 -1.341 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.317 -3.275 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.078 -3.065 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.418 -4.335 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.131 -2.546 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.155 -3.558 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.034 -1.808 -1.864 1.00 0.00 H new ATOM 157 N ARG A 14 -6.171 -0.755 1.792 1.00 0.00 N ATOM 158 CA ARG A 14 -6.338 0.512 2.484 1.00 0.00 C ATOM 159 C ARG A 14 -5.084 0.845 3.293 1.00 0.00 C ATOM 160 O ARG A 14 -4.896 0.328 4.394 1.00 0.00 O ATOM 161 CB ARG A 14 -7.547 0.472 3.421 1.00 0.00 C ATOM 162 CG ARG A 14 -7.762 1.828 4.096 1.00 0.00 C ATOM 163 CD ARG A 14 -8.381 1.658 5.485 1.00 0.00 C ATOM 164 NE ARG A 14 -9.628 2.449 5.584 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.262 2.709 6.735 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.771 2.244 7.891 1.00 0.00 N ATOM 167 NH2 ARG A 14 -11.389 3.435 6.730 1.00 0.00 N ATOM 0 H ARG A 14 -6.198 -1.577 2.395 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.502 1.282 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.439 0.196 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.399 -0.297 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.810 2.351 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.412 2.447 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.593 0.605 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.674 1.981 6.249 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.029 2.819 4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.914 1.691 7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.254 2.442 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.764 3.789 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.872 3.633 7.606 1.00 0.00 H new ATOM 181 N LEU A 15 -4.257 1.705 2.717 1.00 0.00 N ATOM 182 CA LEU A 15 -3.026 2.113 3.372 1.00 0.00 C ATOM 183 C LEU A 15 -3.302 3.330 4.257 1.00 0.00 C ATOM 184 O LEU A 15 -3.632 4.404 3.756 1.00 0.00 O ATOM 185 CB LEU A 15 -1.920 2.342 2.339 1.00 0.00 C ATOM 186 CG LEU A 15 -1.447 1.103 1.577 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.607 1.496 0.359 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.698 0.143 2.503 1.00 0.00 C ATOM 0 H LEU A 15 -4.415 2.131 1.804 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.662 1.320 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.273 3.077 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.061 2.782 2.847 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.325 0.574 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.283 0.597 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.205 2.112 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.267 2.060 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.373 -0.729 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.172 0.648 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.359 -0.174 3.310 1.00 0.00 H new ATOM 200 N VAL A 16 -3.158 3.121 5.557 1.00 0.00 N ATOM 201 CA VAL A 16 -3.388 4.187 6.517 1.00 0.00 C ATOM 202 C VAL A 16 -2.043 4.709 7.025 1.00 0.00 C ATOM 203 O VAL A 16 -1.221 3.940 7.520 1.00 0.00 O ATOM 204 CB VAL A 16 -4.300 3.692 7.641 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.556 4.797 8.667 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.616 3.149 7.080 1.00 0.00 C ATOM 0 H VAL A 16 -2.885 2.229 5.968 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.903 5.023 6.043 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.790 2.874 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.207 4.418 9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.609 5.117 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.035 5.645 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.246 2.804 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.132 3.939 6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.409 2.317 6.406 1.00 0.00 H new ATOM 216 N PHE A 17 -1.860 6.014 6.884 1.00 0.00 N ATOM 217 CA PHE A 17 -0.628 6.648 7.323 1.00 0.00 C ATOM 218 C PHE A 17 -0.675 6.961 8.820 1.00 0.00 C ATOM 219 O PHE A 17 -1.111 8.040 9.219 1.00 0.00 O ATOM 220 CB PHE A 17 -0.498 7.959 6.544 1.00 0.00 C ATOM 221 CG PHE A 17 0.165 7.805 5.174 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.476 7.451 5.088 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.556 8.021 4.041 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.091 7.309 3.816 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.059 7.879 2.769 1.00 0.00 C ATOM 226 CZ PHE A 17 1.370 7.525 2.684 1.00 0.00 C ATOM 0 H PHE A 17 -2.544 6.649 6.472 1.00 0.00 H new ATOM 0 HA PHE A 17 0.217 5.983 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.490 8.390 6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.079 8.667 7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.049 7.278 5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.597 8.301 4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.132 7.029 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.513 8.052 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.838 7.416 1.717 1.00 0.00 H new ATOM 236 N VAL A 18 -0.221 5.998 9.608 1.00 0.00 N ATOM 237 CA VAL A 18 -0.206 6.157 11.052 1.00 0.00 C ATOM 238 C VAL A 18 0.952 7.076 11.447 1.00 0.00 C ATOM 239 O VAL A 18 0.863 7.802 12.436 1.00 0.00 O ATOM 240 CB VAL A 18 -0.139 4.786 11.729 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.479 4.055 11.619 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.996 3.942 11.147 1.00 0.00 C ATOM 0 H VAL A 18 0.139 5.104 9.274 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.127 6.629 11.394 1.00 0.00 H new ATOM 0 HB VAL A 18 0.071 4.944 12.787 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.405 3.084 12.108 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.257 4.646 12.103 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.731 3.914 10.568 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.021 2.973 11.646 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.831 3.797 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.946 4.454 11.301 1.00 0.00 H new ATOM 252 N LYS A 19 2.012 7.013 10.655 1.00 0.00 N ATOM 253 CA LYS A 19 3.186 7.831 10.910 1.00 0.00 C ATOM 254 C LYS A 19 3.654 8.467 9.599 1.00 0.00 C ATOM 255 O LYS A 19 3.001 8.322 8.567 1.00 0.00 O ATOM 256 CB LYS A 19 4.268 7.010 11.615 1.00 0.00 C ATOM 257 CG LYS A 19 3.753 6.450 12.943 1.00 0.00 C ATOM 258 CD LYS A 19 4.783 6.647 14.057 1.00 0.00 C ATOM 259 CE LYS A 19 4.167 6.365 15.429 1.00 0.00 C ATOM 260 NZ LYS A 19 4.791 7.221 16.463 1.00 0.00 N ATOM 0 H LYS A 19 2.083 6.408 9.837 1.00 0.00 H new ATOM 0 HA LYS A 19 2.942 8.646 11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.586 6.191 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.144 7.634 11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.820 6.945 13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.530 5.389 12.832 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.633 5.985 13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.164 7.668 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.093 6.548 15.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.304 5.315 15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.362 7.017 17.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.812 7.027 16.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.639 8.222 16.224 1.00 0.00 H new ATOM 274 N GLY A 20 4.781 9.159 9.684 1.00 0.00 N ATOM 275 CA GLY A 20 5.343 9.818 8.517 1.00 0.00 C ATOM 276 C GLY A 20 4.768 11.225 8.352 1.00 0.00 C ATOM 277 O GLY A 20 4.043 11.710 9.220 1.00 0.00 O ATOM 0 H GLY A 20 5.320 9.278 10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.427 9.873 8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.132 9.228 7.625 1.00 0.00 H new ATOM 281 N PRO A 21 5.121 11.859 7.202 1.00 0.00 N ATOM 282 CA PRO A 21 4.647 13.202 6.911 1.00 0.00 C ATOM 283 C PRO A 21 3.176 13.186 6.491 1.00 0.00 C ATOM 284 O PRO A 21 2.514 14.222 6.496 1.00 0.00 O ATOM 285 CB PRO A 21 5.571 13.718 5.820 1.00 0.00 C ATOM 286 CG PRO A 21 6.228 12.488 5.215 1.00 0.00 C ATOM 287 CD PRO A 21 5.977 11.317 6.151 1.00 0.00 C ATOM 0 HA PRO A 21 4.677 13.856 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.013 14.274 5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.318 14.398 6.230 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.816 12.282 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.298 12.651 5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.491 10.492 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.910 10.930 6.561 1.00 0.00 H new ATOM 295 N ARG A 22 2.708 11.998 6.138 1.00 0.00 N ATOM 296 CA ARG A 22 1.327 11.833 5.716 1.00 0.00 C ATOM 297 C ARG A 22 0.473 11.327 6.880 1.00 0.00 C ATOM 298 O ARG A 22 -0.717 11.066 6.714 1.00 0.00 O ATOM 299 CB ARG A 22 1.222 10.849 4.549 1.00 0.00 C ATOM 300 CG ARG A 22 2.145 11.259 3.400 1.00 0.00 C ATOM 301 CD ARG A 22 1.382 11.307 2.075 1.00 0.00 C ATOM 302 NE ARG A 22 0.132 12.083 2.238 1.00 0.00 N ATOM 303 CZ ARG A 22 0.085 13.417 2.350 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.218 14.133 2.317 1.00 0.00 N ATOM 305 NH2 ARG A 22 -1.094 14.036 2.495 1.00 0.00 N ATOM 0 H ARG A 22 3.260 11.140 6.135 1.00 0.00 H new ATOM 0 HA ARG A 22 0.961 12.806 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.483 9.847 4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.192 10.808 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.580 12.236 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.971 10.552 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.004 11.762 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.151 10.295 1.742 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.749 11.570 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.116 13.662 2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.182 15.149 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.956 13.492 2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.130 15.052 2.580 1.00 0.00 H new ATOM 319 N GLU A 23 1.115 11.203 8.033 1.00 0.00 N ATOM 320 CA GLU A 23 0.429 10.733 9.224 1.00 0.00 C ATOM 321 C GLU A 23 -0.972 11.343 9.306 1.00 0.00 C ATOM 322 O GLU A 23 -1.118 12.560 9.412 1.00 0.00 O ATOM 323 CB GLU A 23 1.238 11.048 10.484 1.00 0.00 C ATOM 324 CG GLU A 23 0.471 10.645 11.744 1.00 0.00 C ATOM 325 CD GLU A 23 -0.057 11.877 12.482 1.00 0.00 C ATOM 326 OE1 GLU A 23 -0.680 12.722 11.804 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.176 11.947 13.708 1.00 0.00 O ATOM 0 H GLU A 23 2.103 11.420 8.167 1.00 0.00 H new ATOM 0 HA GLU A 23 0.329 9.650 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.191 10.520 10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.465 12.114 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.361 9.994 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.123 10.073 12.404 1.00 0.00 H new ATOM 334 N GLY A 24 -1.967 10.470 9.253 1.00 0.00 N ATOM 335 CA GLY A 24 -3.351 10.908 9.320 1.00 0.00 C ATOM 336 C GLY A 24 -4.037 10.766 7.959 1.00 0.00 C ATOM 337 O GLY A 24 -5.208 11.112 7.812 1.00 0.00 O ATOM 0 H GLY A 24 -1.843 9.462 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.887 10.319 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.392 11.947 9.645 1.00 0.00 H new ATOM 341 N ASP A 25 -3.278 10.258 7.000 1.00 0.00 N ATOM 342 CA ASP A 25 -3.798 10.067 5.657 1.00 0.00 C ATOM 343 C ASP A 25 -4.115 8.585 5.443 1.00 0.00 C ATOM 344 O ASP A 25 -3.584 7.726 6.145 1.00 0.00 O ATOM 345 CB ASP A 25 -2.771 10.487 4.603 1.00 0.00 C ATOM 346 CG ASP A 25 -2.729 11.987 4.304 1.00 0.00 C ATOM 347 OD1 ASP A 25 -2.569 12.755 5.277 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.857 12.331 3.109 1.00 0.00 O ATOM 0 H ASP A 25 -2.307 9.973 7.126 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.693 10.680 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.782 10.170 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.984 9.953 3.677 1.00 0.00 H new ATOM 353 N ALA A 26 -4.979 8.332 4.471 1.00 0.00 N ATOM 354 CA ALA A 26 -5.372 6.969 4.156 1.00 0.00 C ATOM 355 C ALA A 26 -5.785 6.889 2.685 1.00 0.00 C ATOM 356 O ALA A 26 -6.463 7.781 2.178 1.00 0.00 O ATOM 357 CB ALA A 26 -6.493 6.530 5.101 1.00 0.00 C ATOM 0 H ALA A 26 -5.418 9.047 3.891 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.536 6.285 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.788 5.508 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.140 6.577 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.350 7.192 4.981 1.00 0.00 H new ATOM 363 N LEU A 27 -5.359 5.812 2.042 1.00 0.00 N ATOM 364 CA LEU A 27 -5.676 5.604 0.639 1.00 0.00 C ATOM 365 C LEU A 27 -6.359 4.245 0.471 1.00 0.00 C ATOM 366 O LEU A 27 -6.370 3.433 1.396 1.00 0.00 O ATOM 367 CB LEU A 27 -4.424 5.773 -0.224 1.00 0.00 C ATOM 368 CG LEU A 27 -3.684 7.104 -0.078 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.170 6.901 -0.150 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.175 8.121 -1.111 1.00 0.00 C ATOM 0 H LEU A 27 -4.797 5.074 2.466 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.380 6.361 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.731 4.966 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.708 5.651 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.908 7.512 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.668 7.863 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.853 6.236 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.907 6.459 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.633 9.058 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.001 7.733 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.241 8.297 -0.970 1.00 0.00 H new ATOM 382 N ASP A 28 -6.913 4.039 -0.714 1.00 0.00 N ATOM 383 CA ASP A 28 -7.597 2.793 -1.015 1.00 0.00 C ATOM 384 C ASP A 28 -7.427 2.469 -2.501 1.00 0.00 C ATOM 385 O ASP A 28 -7.535 3.353 -3.349 1.00 0.00 O ATOM 386 CB ASP A 28 -9.094 2.902 -0.723 1.00 0.00 C ATOM 387 CG ASP A 28 -9.619 1.931 0.336 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.709 0.728 0.008 1.00 0.00 O ATOM 389 OD2 ASP A 28 -9.919 2.413 1.450 1.00 0.00 O ATOM 0 H ASP A 28 -6.902 4.715 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.164 2.011 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.313 3.920 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.643 2.736 -1.650 1.00 0.00 H new ATOM 394 N TYR A 29 -7.164 1.198 -2.770 1.00 0.00 N ATOM 395 CA TYR A 29 -6.979 0.747 -4.139 1.00 0.00 C ATOM 396 C TYR A 29 -7.670 -0.599 -4.371 1.00 0.00 C ATOM 397 O TYR A 29 -7.819 -1.392 -3.442 1.00 0.00 O ATOM 398 CB TYR A 29 -5.470 0.570 -4.324 1.00 0.00 C ATOM 399 CG TYR A 29 -4.672 1.869 -4.202 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.569 2.720 -5.284 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.054 2.191 -3.010 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.818 3.943 -5.169 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.303 3.414 -2.895 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.222 4.230 -3.980 1.00 0.00 C ATOM 405 OH TYR A 29 -2.512 5.385 -3.872 1.00 0.00 O ATOM 0 H TYR A 29 -7.075 0.467 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.405 1.464 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.104 -0.140 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.283 0.132 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.052 2.468 -6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.134 1.525 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.730 4.618 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.815 3.677 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.798 5.871 -3.071 1.00 0.00 H new ATOM 415 N LYS A 30 -8.073 -0.814 -5.614 1.00 0.00 N ATOM 416 CA LYS A 30 -8.745 -2.049 -5.980 1.00 0.00 C ATOM 417 C LYS A 30 -7.745 -3.206 -5.920 1.00 0.00 C ATOM 418 O LYS A 30 -6.535 -2.985 -5.912 1.00 0.00 O ATOM 419 CB LYS A 30 -9.435 -1.903 -7.337 1.00 0.00 C ATOM 420 CG LYS A 30 -8.465 -2.210 -8.481 1.00 0.00 C ATOM 421 CD LYS A 30 -9.196 -2.242 -9.825 1.00 0.00 C ATOM 422 CE LYS A 30 -9.036 -0.914 -10.567 1.00 0.00 C ATOM 423 NZ LYS A 30 -9.005 -1.138 -12.030 1.00 0.00 N ATOM 0 H LYS A 30 -7.947 -0.154 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.539 -2.275 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.290 -2.578 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.822 -0.890 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.679 -1.456 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.980 -3.170 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.804 -3.054 -10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.254 -2.447 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.860 -0.247 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.117 -0.421 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.896 -0.226 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.204 -1.757 -12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.893 -1.588 -12.331 1.00 0.00 H new ATOM 437 N PRO A 31 -8.302 -4.446 -5.878 1.00 0.00 N ATOM 438 CA PRO A 31 -7.472 -5.637 -5.819 1.00 0.00 C ATOM 439 C PRO A 31 -6.837 -5.931 -7.179 1.00 0.00 C ATOM 440 O PRO A 31 -7.518 -5.915 -8.203 1.00 0.00 O ATOM 441 CB PRO A 31 -8.403 -6.742 -5.348 1.00 0.00 C ATOM 442 CG PRO A 31 -9.814 -6.237 -5.606 1.00 0.00 C ATOM 443 CD PRO A 31 -9.730 -4.745 -5.886 1.00 0.00 C ATOM 0 HA PRO A 31 -6.628 -5.528 -5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.215 -7.669 -5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.252 -6.955 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.258 -6.760 -6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.452 -6.428 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.181 -4.496 -6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.259 -4.169 -5.127 1.00 0.00 H new ATOM 451 N GLY A 32 -5.538 -6.192 -7.146 1.00 0.00 N ATOM 452 CA GLY A 32 -4.803 -6.488 -8.364 1.00 0.00 C ATOM 453 C GLY A 32 -4.167 -5.223 -8.942 1.00 0.00 C ATOM 454 O GLY A 32 -3.630 -5.244 -10.049 1.00 0.00 O ATOM 0 H GLY A 32 -4.976 -6.205 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.028 -7.226 -8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.475 -6.930 -9.100 1.00 0.00 H new ATOM 458 N SER A 33 -4.247 -4.151 -8.168 1.00 0.00 N ATOM 459 CA SER A 33 -3.686 -2.879 -8.589 1.00 0.00 C ATOM 460 C SER A 33 -2.338 -2.649 -7.904 1.00 0.00 C ATOM 461 O SER A 33 -2.269 -2.542 -6.681 1.00 0.00 O ATOM 462 CB SER A 33 -4.642 -1.725 -8.279 1.00 0.00 C ATOM 463 OG SER A 33 -4.969 -0.975 -9.445 1.00 0.00 O ATOM 0 H SER A 33 -4.692 -4.137 -7.251 1.00 0.00 H new ATOM 0 HA SER A 33 -3.537 -2.912 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.555 -2.120 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.187 -1.066 -7.540 1.00 0.00 H new ATOM 0 HG SER A 33 -5.582 -0.249 -9.206 1.00 0.00 H new ATOM 469 N THR A 34 -1.298 -2.581 -8.723 1.00 0.00 N ATOM 470 CA THR A 34 0.045 -2.366 -8.211 1.00 0.00 C ATOM 471 C THR A 34 0.175 -0.956 -7.631 1.00 0.00 C ATOM 472 O THR A 34 0.015 0.031 -8.347 1.00 0.00 O ATOM 473 CB THR A 34 1.033 -2.650 -9.344 1.00 0.00 C ATOM 474 OG1 THR A 34 0.890 -4.047 -9.587 1.00 0.00 O ATOM 475 CG2 THR A 34 2.490 -2.497 -8.901 1.00 0.00 C ATOM 0 H THR A 34 -1.359 -2.671 -9.737 1.00 0.00 H new ATOM 0 HA THR A 34 0.268 -3.044 -7.387 1.00 0.00 H new ATOM 0 HB THR A 34 0.833 -1.976 -10.177 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.494 -4.317 -10.310 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.150 -2.709 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.660 -1.477 -8.555 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.699 -3.195 -8.090 1.00 0.00 H new ATOM 483 N ILE A 35 0.464 -0.907 -6.339 1.00 0.00 N ATOM 484 CA ILE A 35 0.617 0.366 -5.655 1.00 0.00 C ATOM 485 C ILE A 35 2.105 0.645 -5.434 1.00 0.00 C ATOM 486 O ILE A 35 2.687 0.189 -4.451 1.00 0.00 O ATOM 487 CB ILE A 35 -0.209 0.385 -4.367 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.704 0.276 -4.674 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.114 1.621 -3.526 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.352 -0.842 -3.854 1.00 0.00 C ATOM 0 H ILE A 35 0.596 -1.728 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 35 0.227 1.178 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 35 0.063 -0.488 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.194 1.224 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.847 0.082 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.487 1.609 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.172 1.615 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.112 2.520 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.414 -0.898 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.876 -1.793 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.228 -0.633 -2.792 1.00 0.00 H new ATOM 502 N ARG A 36 2.678 1.394 -6.365 1.00 0.00 N ATOM 503 CA ARG A 36 4.087 1.739 -6.285 1.00 0.00 C ATOM 504 C ARG A 36 4.296 2.892 -5.300 1.00 0.00 C ATOM 505 O ARG A 36 3.986 4.041 -5.609 1.00 0.00 O ATOM 506 CB ARG A 36 4.635 2.143 -7.655 1.00 0.00 C ATOM 507 CG ARG A 36 4.529 0.986 -8.650 1.00 0.00 C ATOM 508 CD ARG A 36 5.827 0.827 -9.445 1.00 0.00 C ATOM 509 NE ARG A 36 5.593 1.158 -10.868 1.00 0.00 N ATOM 510 CZ ARG A 36 6.408 0.796 -11.868 1.00 0.00 C ATOM 511 NH1 ARG A 36 7.515 0.088 -11.607 1.00 0.00 N ATOM 512 NH2 ARG A 36 6.115 1.141 -13.130 1.00 0.00 N ATOM 0 H ARG A 36 2.192 1.771 -7.178 1.00 0.00 H new ATOM 0 HA ARG A 36 4.625 0.857 -5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.083 3.004 -8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.676 2.450 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.309 0.061 -8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.699 1.164 -9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.597 1.479 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.194 -0.195 -9.357 1.00 0.00 H new ATOM 0 HE ARG A 36 4.759 1.696 -11.103 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.737 -0.175 -10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.135 -0.188 -12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.272 1.679 -13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.735 0.865 -13.891 1.00 0.00 H new ATOM 526 N VAL A 37 4.820 2.544 -4.134 1.00 0.00 N ATOM 527 CA VAL A 37 5.074 3.535 -3.102 1.00 0.00 C ATOM 528 C VAL A 37 6.536 3.981 -3.178 1.00 0.00 C ATOM 529 O VAL A 37 7.444 3.152 -3.137 1.00 0.00 O ATOM 530 CB VAL A 37 4.691 2.973 -1.731 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.864 4.029 -0.638 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.262 2.425 -1.743 1.00 0.00 C ATOM 0 H VAL A 37 5.076 1.590 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 37 4.456 4.419 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 37 5.365 2.146 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.585 3.604 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.905 4.351 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.226 4.885 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.015 2.032 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.568 3.225 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.184 1.627 -2.482 1.00 0.00 H new ATOM 542 N GLY A 38 6.717 5.289 -3.287 1.00 0.00 N ATOM 543 CA GLY A 38 8.053 5.855 -3.369 1.00 0.00 C ATOM 544 C GLY A 38 8.105 7.234 -2.708 1.00 0.00 C ATOM 545 O GLY A 38 7.298 7.537 -1.831 1.00 0.00 O ATOM 0 H GLY A 38 5.961 5.973 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.765 5.188 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.354 5.937 -4.413 1.00 0.00 H new ATOM 549 N ARG A 39 9.063 8.033 -3.155 1.00 0.00 N ATOM 550 CA ARG A 39 9.232 9.372 -2.618 1.00 0.00 C ATOM 551 C ARG A 39 8.679 10.410 -3.597 1.00 0.00 C ATOM 552 O ARG A 39 8.023 11.366 -3.189 1.00 0.00 O ATOM 553 CB ARG A 39 10.706 9.675 -2.344 1.00 0.00 C ATOM 554 CG ARG A 39 10.919 11.165 -2.075 1.00 0.00 C ATOM 555 CD ARG A 39 12.323 11.428 -1.526 1.00 0.00 C ATOM 556 NE ARG A 39 12.971 12.516 -2.293 1.00 0.00 N ATOM 557 CZ ARG A 39 12.821 13.819 -2.022 1.00 0.00 C ATOM 558 NH1 ARG A 39 12.044 14.206 -1.001 1.00 0.00 N ATOM 559 NH2 ARG A 39 13.447 14.736 -2.772 1.00 0.00 N ATOM 0 H ARG A 39 9.730 7.778 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 39 8.682 9.423 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.047 9.095 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.309 9.366 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.773 11.729 -2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.174 11.520 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.265 11.699 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.923 10.520 -1.589 1.00 0.00 H new ATOM 0 HE ARG A 39 13.569 12.257 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.567 13.508 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.930 15.198 -0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.038 14.442 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.333 15.728 -2.565 1.00 0.00 H new ATOM 573 N ILE A 40 8.965 10.185 -4.871 1.00 0.00 N ATOM 574 CA ILE A 40 8.505 11.089 -5.912 1.00 0.00 C ATOM 575 C ILE A 40 7.147 10.613 -6.431 1.00 0.00 C ATOM 576 O ILE A 40 6.924 9.413 -6.588 1.00 0.00 O ATOM 577 CB ILE A 40 9.566 11.230 -7.006 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.974 9.862 -7.554 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.770 12.029 -6.502 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.298 9.943 -9.047 1.00 0.00 C ATOM 0 H ILE A 40 9.509 9.390 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 40 8.360 12.091 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 40 9.131 11.791 -7.833 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.843 9.493 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.168 9.146 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.509 12.115 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.445 13.025 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.214 11.518 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.585 8.957 -9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.420 10.289 -9.592 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.120 10.641 -9.203 1.00 0.00 H new ATOM 592 N VAL A 41 6.274 11.578 -6.682 1.00 0.00 N ATOM 593 CA VAL A 41 4.943 11.272 -7.179 1.00 0.00 C ATOM 594 C VAL A 41 5.052 10.692 -8.591 1.00 0.00 C ATOM 595 O VAL A 41 4.305 9.784 -8.952 1.00 0.00 O ATOM 596 CB VAL A 41 4.060 12.520 -7.112 1.00 0.00 C ATOM 597 CG1 VAL A 41 3.737 12.885 -5.662 1.00 0.00 C ATOM 598 CG2 VAL A 41 4.716 13.695 -7.840 1.00 0.00 C ATOM 0 H VAL A 41 6.462 12.572 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 41 4.465 10.518 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 41 3.121 12.294 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.108 13.775 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.209 12.058 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.663 13.083 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.068 14.569 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.676 13.921 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.872 13.433 -8.887 1.00 0.00 H new ATOM 608 N ARG A 42 5.988 11.241 -9.351 1.00 0.00 N ATOM 609 CA ARG A 42 6.204 10.789 -10.715 1.00 0.00 C ATOM 610 C ARG A 42 6.286 9.262 -10.762 1.00 0.00 C ATOM 611 O ARG A 42 7.110 8.659 -10.075 1.00 0.00 O ATOM 612 CB ARG A 42 7.492 11.379 -11.293 1.00 0.00 C ATOM 613 CG ARG A 42 7.188 12.572 -12.202 1.00 0.00 C ATOM 614 CD ARG A 42 6.728 13.781 -11.385 1.00 0.00 C ATOM 615 NE ARG A 42 7.186 15.032 -12.030 1.00 0.00 N ATOM 616 CZ ARG A 42 8.473 15.345 -12.232 1.00 0.00 C ATOM 617 NH1 ARG A 42 9.438 14.501 -11.842 1.00 0.00 N ATOM 618 NH2 ARG A 42 8.796 16.502 -12.825 1.00 0.00 N ATOM 0 H ARG A 42 6.605 11.994 -9.048 1.00 0.00 H new ATOM 0 HA ARG A 42 5.360 11.130 -11.314 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.149 11.693 -10.482 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.026 10.614 -11.857 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.078 12.833 -12.775 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.415 12.299 -12.920 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.641 13.782 -11.302 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.125 13.718 -10.372 1.00 0.00 H new ATOM 0 HE ARG A 42 6.478 15.697 -12.340 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.193 13.620 -11.391 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.418 14.740 -11.996 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.062 17.145 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.776 16.740 -12.979 1.00 0.00 H new ATOM 632 N GLY A 43 5.420 8.680 -11.578 1.00 0.00 N ATOM 633 CA GLY A 43 5.384 7.234 -11.724 1.00 0.00 C ATOM 634 C GLY A 43 5.399 6.545 -10.358 1.00 0.00 C ATOM 635 O GLY A 43 6.376 5.889 -10.000 1.00 0.00 O ATOM 0 H GLY A 43 4.738 9.183 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.488 6.942 -12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.240 6.903 -12.312 1.00 0.00 H new ATOM 639 N ASN A 44 4.304 6.718 -9.631 1.00 0.00 N ATOM 640 CA ASN A 44 4.179 6.121 -8.312 1.00 0.00 C ATOM 641 C ASN A 44 2.764 6.359 -7.782 1.00 0.00 C ATOM 642 O ASN A 44 2.236 7.465 -7.885 1.00 0.00 O ATOM 643 CB ASN A 44 5.165 6.752 -7.327 1.00 0.00 C ATOM 644 CG ASN A 44 6.535 6.076 -7.414 1.00 0.00 C ATOM 645 OD1 ASN A 44 6.667 4.867 -7.318 1.00 0.00 O ATOM 646 ND2 ASN A 44 7.545 6.922 -7.601 1.00 0.00 N ATOM 0 H ASN A 44 3.496 7.263 -9.931 1.00 0.00 H new ATOM 0 HA ASN A 44 4.391 5.056 -8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.266 7.816 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.777 6.665 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.499 6.569 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.365 7.923 -7.673 1.00 0.00 H new ATOM 653 N GLU A 45 2.190 5.302 -7.226 1.00 0.00 N ATOM 654 CA GLU A 45 0.846 5.381 -6.679 1.00 0.00 C ATOM 655 C GLU A 45 0.827 6.289 -5.448 1.00 0.00 C ATOM 656 O GLU A 45 -0.139 7.017 -5.224 1.00 0.00 O ATOM 657 CB GLU A 45 0.308 3.989 -6.343 1.00 0.00 C ATOM 658 CG GLU A 45 -1.006 3.716 -7.078 1.00 0.00 C ATOM 659 CD GLU A 45 -0.770 3.561 -8.582 1.00 0.00 C ATOM 660 OE1 GLU A 45 0.082 4.313 -9.104 1.00 0.00 O ATOM 661 OE2 GLU A 45 -1.446 2.693 -9.176 1.00 0.00 O ATOM 0 H GLU A 45 2.631 4.386 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 45 0.191 5.814 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.045 3.234 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.151 3.906 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.467 2.810 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.704 4.533 -6.898 1.00 0.00 H new ATOM 668 N ILE A 46 1.905 6.216 -4.682 1.00 0.00 N ATOM 669 CA ILE A 46 2.024 7.023 -3.479 1.00 0.00 C ATOM 670 C ILE A 46 3.451 7.566 -3.373 1.00 0.00 C ATOM 671 O ILE A 46 4.409 6.872 -3.709 1.00 0.00 O ATOM 672 CB ILE A 46 1.578 6.224 -2.252 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.239 5.530 -2.508 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.535 7.112 -1.007 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.071 4.514 -1.406 1.00 0.00 C ATOM 0 H ILE A 46 2.704 5.611 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 46 1.358 7.884 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 46 2.315 5.443 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.557 6.273 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.265 5.027 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.215 6.521 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.528 7.520 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.831 7.929 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.028 4.035 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.714 3.759 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.120 5.024 -0.444 1.00 0.00 H new ATOM 687 N ALA A 47 3.546 8.802 -2.906 1.00 0.00 N ATOM 688 CA ALA A 47 4.840 9.446 -2.752 1.00 0.00 C ATOM 689 C ALA A 47 4.889 10.164 -1.401 1.00 0.00 C ATOM 690 O ALA A 47 4.115 11.088 -1.157 1.00 0.00 O ATOM 691 CB ALA A 47 5.080 10.396 -3.926 1.00 0.00 C ATOM 0 H ALA A 47 2.749 9.375 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 47 5.641 8.707 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.050 10.879 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.064 9.833 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.297 11.154 -3.946 1.00 0.00 H new ATOM 697 N ILE A 48 5.808 9.711 -0.560 1.00 0.00 N ATOM 698 CA ILE A 48 5.969 10.299 0.759 1.00 0.00 C ATOM 699 C ILE A 48 7.274 11.096 0.801 1.00 0.00 C ATOM 700 O ILE A 48 8.348 10.549 0.553 1.00 0.00 O ATOM 701 CB ILE A 48 5.871 9.221 1.841 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.549 8.458 1.736 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.077 9.822 3.233 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.777 6.949 1.850 1.00 0.00 C ATOM 0 H ILE A 48 6.448 8.944 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 48 5.160 11.000 0.966 1.00 0.00 H new ATOM 0 HB ILE A 48 6.672 8.500 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.871 8.788 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.068 8.686 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.002 9.035 3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.063 10.284 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.312 10.576 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.822 6.430 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.436 6.619 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.236 6.722 2.812 1.00 0.00 H new ATOM 716 N LYS A 49 7.139 12.375 1.118 1.00 0.00 N ATOM 717 CA LYS A 49 8.294 13.253 1.197 1.00 0.00 C ATOM 718 C LYS A 49 8.846 13.236 2.624 1.00 0.00 C ATOM 719 O LYS A 49 8.764 14.234 3.337 1.00 0.00 O ATOM 720 CB LYS A 49 7.939 14.653 0.692 1.00 0.00 C ATOM 721 CG LYS A 49 7.604 14.629 -0.801 1.00 0.00 C ATOM 722 CD LYS A 49 8.866 14.797 -1.649 1.00 0.00 C ATOM 723 CE LYS A 49 8.556 14.619 -3.136 1.00 0.00 C ATOM 724 NZ LYS A 49 9.166 15.710 -3.927 1.00 0.00 N ATOM 0 H LYS A 49 6.247 12.825 1.323 1.00 0.00 H new ATOM 0 HA LYS A 49 9.089 12.895 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.089 15.041 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.774 15.330 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.115 13.688 -1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.898 15.427 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.294 15.785 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.615 14.068 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.935 13.657 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.477 14.610 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.946 15.574 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.784 16.624 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.197 15.701 -3.794 1.00 0.00 H new ATOM 738 N ASP A 50 9.398 12.090 2.997 1.00 0.00 N ATOM 739 CA ASP A 50 9.964 11.929 4.325 1.00 0.00 C ATOM 740 C ASP A 50 11.488 11.848 4.219 1.00 0.00 C ATOM 741 O ASP A 50 12.182 11.796 5.233 1.00 0.00 O ATOM 742 CB ASP A 50 9.466 10.641 4.984 1.00 0.00 C ATOM 743 CG ASP A 50 10.256 10.199 6.217 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.352 11.020 7.155 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.746 9.049 6.195 1.00 0.00 O ATOM 0 H ASP A 50 9.465 11.264 2.402 1.00 0.00 H new ATOM 0 HA ASP A 50 9.658 12.784 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.423 10.776 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.494 9.839 4.246 1.00 0.00 H new ATOM 750 N ALA A 51 11.963 11.839 2.983 1.00 0.00 N ATOM 751 CA ALA A 51 13.393 11.764 2.731 1.00 0.00 C ATOM 752 C ALA A 51 13.845 10.305 2.815 1.00 0.00 C ATOM 753 O ALA A 51 14.394 9.766 1.855 1.00 0.00 O ATOM 754 CB ALA A 51 14.133 12.662 3.724 1.00 0.00 C ATOM 0 H ALA A 51 11.384 11.882 2.145 1.00 0.00 H new ATOM 0 HA ALA A 51 13.626 12.124 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.205 12.606 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.796 13.692 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.925 12.329 4.741 1.00 0.00 H new ATOM 760 N GLY A 52 13.598 9.707 3.971 1.00 0.00 N ATOM 761 CA GLY A 52 13.974 8.321 4.192 1.00 0.00 C ATOM 762 C GLY A 52 13.501 7.434 3.038 1.00 0.00 C ATOM 763 O GLY A 52 14.057 6.362 2.806 1.00 0.00 O ATOM 0 H GLY A 52 13.142 10.157 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.057 8.246 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.541 7.968 5.128 1.00 0.00 H new ATOM 767 N ILE A 53 12.479 7.915 2.345 1.00 0.00 N ATOM 768 CA ILE A 53 11.926 7.179 1.221 1.00 0.00 C ATOM 769 C ILE A 53 12.592 7.655 -0.072 1.00 0.00 C ATOM 770 O ILE A 53 12.961 8.822 -0.192 1.00 0.00 O ATOM 771 CB ILE A 53 10.400 7.294 1.204 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.796 6.757 2.504 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.811 6.606 -0.029 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.518 7.515 2.869 1.00 0.00 C ATOM 0 H ILE A 53 12.020 8.805 2.540 1.00 0.00 H new ATOM 0 HA ILE A 53 12.142 6.115 1.319 1.00 0.00 H new ATOM 0 HB ILE A 53 10.138 8.350 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.575 5.695 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.522 6.850 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.725 6.703 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.206 7.074 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.081 5.550 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.109 7.114 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.747 8.572 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.786 7.400 2.070 1.00 0.00 H new ATOM 786 N SER A 54 12.725 6.726 -1.008 1.00 0.00 N ATOM 787 CA SER A 54 13.340 7.036 -2.287 1.00 0.00 C ATOM 788 C SER A 54 12.306 6.913 -3.408 1.00 0.00 C ATOM 789 O SER A 54 11.226 6.361 -3.204 1.00 0.00 O ATOM 790 CB SER A 54 14.532 6.117 -2.562 1.00 0.00 C ATOM 791 OG SER A 54 15.773 6.747 -2.258 1.00 0.00 O ATOM 0 H SER A 54 12.417 5.759 -0.906 1.00 0.00 H new ATOM 0 HA SER A 54 13.707 8.062 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.433 5.207 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.525 5.817 -3.610 1.00 0.00 H new ATOM 0 HG SER A 54 16.509 6.127 -2.445 1.00 0.00 H new ATOM 797 N THR A 55 12.673 7.437 -4.569 1.00 0.00 N ATOM 798 CA THR A 55 11.790 7.393 -5.722 1.00 0.00 C ATOM 799 C THR A 55 11.181 5.998 -5.875 1.00 0.00 C ATOM 800 O THR A 55 9.961 5.848 -5.891 1.00 0.00 O ATOM 801 CB THR A 55 12.590 7.844 -6.946 1.00 0.00 C ATOM 802 OG1 THR A 55 13.705 6.958 -6.979 1.00 0.00 O ATOM 803 CG2 THR A 55 13.217 9.227 -6.758 1.00 0.00 C ATOM 0 H THR A 55 13.570 7.894 -4.735 1.00 0.00 H new ATOM 0 HA THR A 55 10.945 8.070 -5.599 1.00 0.00 H new ATOM 0 HB THR A 55 11.939 7.856 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.276 7.179 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.773 9.499 -7.655 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.431 9.962 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.894 9.207 -5.904 1.00 0.00 H new ATOM 811 N LYS A 56 12.060 5.012 -5.983 1.00 0.00 N ATOM 812 CA LYS A 56 11.624 3.634 -6.134 1.00 0.00 C ATOM 813 C LYS A 56 11.999 2.845 -4.878 1.00 0.00 C ATOM 814 O LYS A 56 12.855 1.963 -4.927 1.00 0.00 O ATOM 815 CB LYS A 56 12.182 3.034 -7.426 1.00 0.00 C ATOM 816 CG LYS A 56 11.621 3.758 -8.653 1.00 0.00 C ATOM 817 CD LYS A 56 10.179 3.329 -8.930 1.00 0.00 C ATOM 818 CE LYS A 56 9.290 4.543 -9.208 1.00 0.00 C ATOM 819 NZ LYS A 56 8.454 4.310 -10.407 1.00 0.00 N ATOM 0 H LYS A 56 13.072 5.140 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 56 10.539 3.586 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.270 3.104 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.931 1.975 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.659 4.836 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.242 3.542 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.155 2.653 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.789 2.777 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.653 4.739 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.909 5.428 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.552 4.818 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.954 4.656 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.268 3.292 -10.508 1.00 0.00 H new ATOM 833 N HIS A 57 11.340 3.190 -3.782 1.00 0.00 N ATOM 834 CA HIS A 57 11.593 2.525 -2.515 1.00 0.00 C ATOM 835 C HIS A 57 11.169 1.058 -2.612 1.00 0.00 C ATOM 836 O HIS A 57 12.009 0.161 -2.563 1.00 0.00 O ATOM 837 CB HIS A 57 10.907 3.266 -1.365 1.00 0.00 C ATOM 838 CG HIS A 57 11.202 2.690 -0.001 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.535 3.476 1.089 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.209 1.399 0.439 1.00 0.00 C ATOM 841 CE1 HIS A 57 11.732 2.683 2.131 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.531 1.396 1.727 1.00 0.00 N ATOM 0 H HIS A 57 10.631 3.922 -3.745 1.00 0.00 H new ATOM 0 HA HIS A 57 12.661 2.545 -2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.218 4.310 -1.382 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.829 3.252 -1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.990 0.527 -0.159 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.004 3.000 3.127 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.614 0.568 2.317 1.00 0.00 H new ATOM 850 N LEU A 58 9.866 0.860 -2.747 1.00 0.00 N ATOM 851 CA LEU A 58 9.321 -0.483 -2.851 1.00 0.00 C ATOM 852 C LEU A 58 8.078 -0.455 -3.743 1.00 0.00 C ATOM 853 O LEU A 58 7.611 0.614 -4.132 1.00 0.00 O ATOM 854 CB LEU A 58 9.067 -1.067 -1.460 1.00 0.00 C ATOM 855 CG LEU A 58 8.330 -0.159 -0.475 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.127 0.511 -1.142 1.00 0.00 C ATOM 857 CD2 LEU A 58 7.932 -0.927 0.787 1.00 0.00 C ATOM 0 H LEU A 58 9.172 1.607 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 58 10.040 -1.151 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.494 -1.987 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.027 -1.341 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 58 9.011 0.635 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.620 1.151 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.467 1.113 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.436 -0.253 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.410 -0.258 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.276 -1.755 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.826 -1.316 1.273 1.00 0.00 H new ATOM 869 N ARG A 59 7.576 -1.645 -4.041 1.00 0.00 N ATOM 870 CA ARG A 59 6.396 -1.771 -4.879 1.00 0.00 C ATOM 871 C ARG A 59 5.426 -2.792 -4.281 1.00 0.00 C ATOM 872 O ARG A 59 5.820 -3.911 -3.956 1.00 0.00 O ATOM 873 CB ARG A 59 6.772 -2.205 -6.297 1.00 0.00 C ATOM 874 CG ARG A 59 5.581 -2.855 -7.005 1.00 0.00 C ATOM 875 CD ARG A 59 5.909 -3.150 -8.470 1.00 0.00 C ATOM 876 NE ARG A 59 5.167 -4.347 -8.924 1.00 0.00 N ATOM 877 CZ ARG A 59 5.304 -4.902 -10.136 1.00 0.00 C ATOM 878 NH1 ARG A 59 6.156 -4.370 -11.023 1.00 0.00 N ATOM 879 NH2 ARG A 59 4.590 -5.988 -10.461 1.00 0.00 N ATOM 0 H ARG A 59 7.965 -2.530 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 59 5.916 -0.793 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.112 -1.341 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.604 -2.908 -6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.311 -3.780 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.715 -2.195 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.646 -2.293 -9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.981 -3.311 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 59 4.510 -4.777 -8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.700 -3.543 -10.775 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.261 -4.792 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.942 -6.393 -9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.695 -6.410 -11.384 1.00 0.00 H new ATOM 893 N ILE A 60 4.177 -2.370 -4.153 1.00 0.00 N ATOM 894 CA ILE A 60 3.148 -3.233 -3.599 1.00 0.00 C ATOM 895 C ILE A 60 2.242 -3.728 -4.728 1.00 0.00 C ATOM 896 O ILE A 60 1.872 -2.960 -5.614 1.00 0.00 O ATOM 897 CB ILE A 60 2.395 -2.518 -2.476 1.00 0.00 C ATOM 898 CG1 ILE A 60 3.337 -2.166 -1.322 1.00 0.00 C ATOM 899 CG2 ILE A 60 1.197 -3.345 -2.005 1.00 0.00 C ATOM 900 CD1 ILE A 60 3.060 -0.756 -0.798 1.00 0.00 C ATOM 0 H ILE A 60 3.854 -1.441 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 60 3.597 -4.114 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 60 2.004 -1.580 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.215 -2.888 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.371 -2.236 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.679 -2.814 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.513 -3.502 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.544 -4.309 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.743 -0.532 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.207 -0.034 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.032 -0.696 -0.440 1.00 0.00 H new ATOM 912 N GLU A 61 1.910 -5.009 -4.660 1.00 0.00 N ATOM 913 CA GLU A 61 1.054 -5.616 -5.665 1.00 0.00 C ATOM 914 C GLU A 61 0.292 -6.801 -5.068 1.00 0.00 C ATOM 915 O GLU A 61 0.604 -7.253 -3.968 1.00 0.00 O ATOM 916 CB GLU A 61 1.865 -6.046 -6.889 1.00 0.00 C ATOM 917 CG GLU A 61 3.012 -6.975 -6.487 1.00 0.00 C ATOM 918 CD GLU A 61 2.769 -8.398 -6.996 1.00 0.00 C ATOM 919 OE1 GLU A 61 2.121 -8.518 -8.058 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.235 -9.333 -6.311 1.00 0.00 O ATOM 0 H GLU A 61 2.219 -5.644 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 61 0.329 -4.872 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.214 -6.553 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.264 -5.166 -7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.951 -6.596 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.113 -6.985 -5.402 1.00 0.00 H new ATOM 927 N SER A 62 -0.692 -7.270 -5.821 1.00 0.00 N ATOM 928 CA SER A 62 -1.501 -8.394 -5.381 1.00 0.00 C ATOM 929 C SER A 62 -1.105 -9.656 -6.148 1.00 0.00 C ATOM 930 O SER A 62 -0.324 -9.591 -7.097 1.00 0.00 O ATOM 931 CB SER A 62 -2.992 -8.105 -5.566 1.00 0.00 C ATOM 932 OG SER A 62 -3.662 -9.168 -6.238 1.00 0.00 O ATOM 0 H SER A 62 -0.947 -6.892 -6.733 1.00 0.00 H new ATOM 0 HA SER A 62 -1.319 -8.551 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.454 -7.944 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.115 -7.183 -6.134 1.00 0.00 H new ATOM 0 HG SER A 62 -4.612 -8.946 -6.335 1.00 0.00 H new ATOM 938 N ASP A 63 -1.662 -10.776 -5.710 1.00 0.00 N ATOM 939 CA ASP A 63 -1.377 -12.052 -6.345 1.00 0.00 C ATOM 940 C ASP A 63 -2.683 -12.825 -6.535 1.00 0.00 C ATOM 941 O ASP A 63 -3.089 -13.589 -5.660 1.00 0.00 O ATOM 942 CB ASP A 63 -0.446 -12.902 -5.478 1.00 0.00 C ATOM 943 CG ASP A 63 -0.145 -14.297 -6.028 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.082 -14.415 -7.271 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.016 -15.214 -5.194 1.00 0.00 O ATOM 0 H ASP A 63 -2.309 -10.826 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.896 -11.853 -7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.495 -12.367 -5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.890 -13.006 -4.488 1.00 0.00 H new ATOM 950 N SER A 64 -3.305 -12.600 -7.683 1.00 0.00 N ATOM 951 CA SER A 64 -4.557 -13.266 -7.999 1.00 0.00 C ATOM 952 C SER A 64 -5.685 -12.699 -7.133 1.00 0.00 C ATOM 953 O SER A 64 -6.540 -11.965 -7.625 1.00 0.00 O ATOM 954 CB SER A 64 -4.443 -14.779 -7.797 1.00 0.00 C ATOM 955 OG SER A 64 -5.016 -15.507 -8.879 1.00 0.00 O ATOM 0 H SER A 64 -2.965 -11.966 -8.406 1.00 0.00 H new ATOM 0 HA SER A 64 -4.786 -13.083 -9.049 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.393 -15.053 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.940 -15.059 -6.868 1.00 0.00 H new ATOM 0 HG SER A 64 -4.922 -16.468 -8.713 1.00 0.00 H new ATOM 961 N GLY A 65 -5.649 -13.062 -5.859 1.00 0.00 N ATOM 962 CA GLY A 65 -6.657 -12.599 -4.921 1.00 0.00 C ATOM 963 C GLY A 65 -6.050 -12.360 -3.537 1.00 0.00 C ATOM 964 O GLY A 65 -6.705 -12.586 -2.521 1.00 0.00 O ATOM 0 H GLY A 65 -4.938 -13.671 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.105 -11.676 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.457 -13.336 -4.849 1.00 0.00 H new ATOM 968 N ASN A 66 -4.805 -11.907 -3.543 1.00 0.00 N ATOM 969 CA ASN A 66 -4.102 -11.636 -2.300 1.00 0.00 C ATOM 970 C ASN A 66 -3.204 -10.411 -2.485 1.00 0.00 C ATOM 971 O ASN A 66 -2.950 -9.987 -3.611 1.00 0.00 O ATOM 972 CB ASN A 66 -3.215 -12.816 -1.900 1.00 0.00 C ATOM 973 CG ASN A 66 -4.049 -13.949 -1.297 1.00 0.00 C ATOM 974 OD1 ASN A 66 -5.025 -13.731 -0.598 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.612 -15.166 -1.606 1.00 0.00 N ATOM 0 H ASN A 66 -4.265 -11.721 -4.388 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.846 -11.465 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.675 -13.182 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.468 -12.486 -1.178 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.101 -15.988 -1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.788 -15.277 -2.197 1.00 0.00 H new ATOM 982 N TRP A 67 -2.748 -9.877 -1.361 1.00 0.00 N ATOM 983 CA TRP A 67 -1.883 -8.709 -1.385 1.00 0.00 C ATOM 984 C TRP A 67 -0.485 -9.147 -0.943 1.00 0.00 C ATOM 985 O TRP A 67 -0.343 -9.925 -0.001 1.00 0.00 O ATOM 986 CB TRP A 67 -2.458 -7.584 -0.522 1.00 0.00 C ATOM 987 CG TRP A 67 -3.705 -6.923 -1.111 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.986 -7.137 -0.782 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.738 -5.924 -2.153 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.839 -6.353 -1.532 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.056 -5.592 -2.392 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.689 -5.322 -2.869 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.447 -4.647 -3.348 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.097 -4.380 -3.821 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.419 -4.034 -4.074 1.00 0.00 C ATOM 0 H TRP A 67 -2.961 -10.231 -0.429 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.817 -8.298 -2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.702 -7.984 0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.691 -6.824 -0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.310 -7.835 -0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.857 -6.335 -1.467 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.651 -5.567 -2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.486 -4.404 -3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.330 -3.887 -4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.652 -3.296 -4.827 1.00 0.00 H new ATOM 1006 N VAL A 68 0.512 -8.628 -1.644 1.00 0.00 N ATOM 1007 CA VAL A 68 1.893 -8.956 -1.336 1.00 0.00 C ATOM 1008 C VAL A 68 2.739 -7.682 -1.389 1.00 0.00 C ATOM 1009 O VAL A 68 2.379 -6.721 -2.067 1.00 0.00 O ATOM 1010 CB VAL A 68 2.396 -10.047 -2.284 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.352 -11.152 -2.451 1.00 0.00 C ATOM 1012 CG2 VAL A 68 2.792 -9.457 -3.639 1.00 0.00 C ATOM 0 H VAL A 68 0.391 -7.983 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 68 1.974 -9.359 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 68 3.286 -10.492 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.735 -11.915 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.141 -11.602 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.436 -10.728 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.146 -10.254 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.927 -8.973 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.586 -8.724 -3.498 1.00 0.00 H new ATOM 1022 N ILE A 69 3.848 -7.715 -0.664 1.00 0.00 N ATOM 1023 CA ILE A 69 4.747 -6.575 -0.620 1.00 0.00 C ATOM 1024 C ILE A 69 6.162 -7.033 -0.983 1.00 0.00 C ATOM 1025 O ILE A 69 6.549 -8.161 -0.681 1.00 0.00 O ATOM 1026 CB ILE A 69 4.657 -5.874 0.737 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.480 -4.584 0.743 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.063 -6.818 1.870 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.771 -3.485 1.537 1.00 0.00 C ATOM 0 H ILE A 69 4.144 -8.514 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 69 4.453 -5.829 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 69 3.618 -5.594 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.461 -4.776 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.645 -4.249 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.990 -6.295 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.399 -7.682 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.090 -7.151 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.377 -2.579 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.801 -3.278 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.629 -3.814 2.567 1.00 0.00 H new ATOM 1041 N GLN A 70 6.894 -6.134 -1.624 1.00 0.00 N ATOM 1042 CA GLN A 70 8.256 -6.431 -2.031 1.00 0.00 C ATOM 1043 C GLN A 70 9.153 -5.210 -1.817 1.00 0.00 C ATOM 1044 O GLN A 70 8.833 -4.113 -2.274 1.00 0.00 O ATOM 1045 CB GLN A 70 8.304 -6.898 -3.488 1.00 0.00 C ATOM 1046 CG GLN A 70 9.745 -7.156 -3.933 1.00 0.00 C ATOM 1047 CD GLN A 70 9.790 -7.661 -5.377 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.022 -7.248 -6.231 1.00 0.00 O ATOM 1049 NE2 GLN A 70 10.729 -8.576 -5.601 1.00 0.00 N ATOM 0 H GLN A 70 6.569 -5.199 -1.871 1.00 0.00 H new ATOM 0 HA GLN A 70 8.630 -7.245 -1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.716 -7.809 -3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.850 -6.143 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.326 -6.238 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.208 -7.889 -3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.339 -8.878 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.839 -8.976 -6.533 1.00 0.00 H new ATOM 1058 N ASP A 71 10.257 -5.441 -1.123 1.00 0.00 N ATOM 1059 CA ASP A 71 11.202 -4.373 -0.843 1.00 0.00 C ATOM 1060 C ASP A 71 12.172 -4.234 -2.018 1.00 0.00 C ATOM 1061 O ASP A 71 13.066 -5.061 -2.190 1.00 0.00 O ATOM 1062 CB ASP A 71 12.021 -4.678 0.413 1.00 0.00 C ATOM 1063 CG ASP A 71 13.243 -3.780 0.621 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.157 -2.601 0.216 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.235 -4.294 1.182 1.00 0.00 O ATOM 0 H ASP A 71 10.519 -6.352 -0.746 1.00 0.00 H new ATOM 0 HA ASP A 71 10.636 -3.454 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.371 -4.589 1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.354 -5.715 0.369 1.00 0.00 H new ATOM 1070 N LEU A 72 11.961 -3.183 -2.796 1.00 0.00 N ATOM 1071 CA LEU A 72 12.806 -2.925 -3.951 1.00 0.00 C ATOM 1072 C LEU A 72 14.177 -2.442 -3.476 1.00 0.00 C ATOM 1073 O LEU A 72 14.620 -1.356 -3.848 1.00 0.00 O ATOM 1074 CB LEU A 72 12.114 -1.961 -4.916 1.00 0.00 C ATOM 1075 CG LEU A 72 10.920 -2.526 -5.688 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.104 -3.480 -4.814 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.060 -1.401 -6.267 1.00 0.00 C ATOM 0 H LEU A 72 11.218 -2.500 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 72 12.969 -3.842 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.777 -1.092 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.852 -1.607 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 72 11.300 -3.106 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.261 -3.867 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.735 -4.308 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.733 -2.945 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.218 -1.830 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.687 -0.774 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.661 -0.797 -6.946 1.00 0.00 H new ATOM 1089 N GLY A 73 14.812 -3.271 -2.661 1.00 0.00 N ATOM 1090 CA GLY A 73 16.124 -2.942 -2.131 1.00 0.00 C ATOM 1091 C GLY A 73 16.282 -1.430 -1.958 1.00 0.00 C ATOM 1092 O GLY A 73 17.266 -0.849 -2.413 1.00 0.00 O ATOM 0 H GLY A 73 14.442 -4.171 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.267 -3.438 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.896 -3.317 -2.803 1.00 0.00 H new ATOM 1096 N SER A 74 15.298 -0.836 -1.299 1.00 0.00 N ATOM 1097 CA SER A 74 15.316 0.597 -1.060 1.00 0.00 C ATOM 1098 C SER A 74 16.737 1.055 -0.726 1.00 0.00 C ATOM 1099 O SER A 74 17.512 1.388 -1.621 1.00 0.00 O ATOM 1100 CB SER A 74 14.356 0.979 0.068 1.00 0.00 C ATOM 1101 OG SER A 74 14.719 0.374 1.306 1.00 0.00 O ATOM 0 H SER A 74 14.483 -1.321 -0.923 1.00 0.00 H new ATOM 0 HA SER A 74 14.984 1.099 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.345 2.063 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.343 0.677 -0.200 1.00 0.00 H new ATOM 0 HG SER A 74 14.083 0.644 2.001 1.00 0.00 H new ATOM 1107 N SER A 75 17.035 1.056 0.565 1.00 0.00 N ATOM 1108 CA SER A 75 18.350 1.467 1.029 1.00 0.00 C ATOM 1109 C SER A 75 18.553 1.029 2.481 1.00 0.00 C ATOM 1110 O SER A 75 19.510 0.321 2.791 1.00 0.00 O ATOM 1111 CB SER A 75 18.530 2.981 0.901 1.00 0.00 C ATOM 1112 OG SER A 75 19.342 3.330 -0.217 1.00 0.00 O ATOM 0 H SER A 75 16.389 0.779 1.304 1.00 0.00 H new ATOM 0 HA SER A 75 19.100 0.985 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.553 3.455 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.982 3.371 1.813 1.00 0.00 H new ATOM 0 HG SER A 75 19.047 2.828 -1.005 1.00 0.00 H new ATOM 1118 N ASN A 76 17.638 1.469 3.332 1.00 0.00 N ATOM 1119 CA ASN A 76 17.705 1.131 4.743 1.00 0.00 C ATOM 1120 C ASN A 76 16.972 -0.191 4.982 1.00 0.00 C ATOM 1121 O ASN A 76 17.348 -0.963 5.863 1.00 0.00 O ATOM 1122 CB ASN A 76 17.033 2.206 5.599 1.00 0.00 C ATOM 1123 CG ASN A 76 17.634 3.585 5.321 1.00 0.00 C ATOM 1124 OD1 ASN A 76 18.799 3.846 5.575 1.00 0.00 O ATOM 1125 ND2 ASN A 76 16.778 4.450 4.785 1.00 0.00 N ATOM 0 H ASN A 76 16.846 2.057 3.071 1.00 0.00 H new ATOM 0 HA ASN A 76 18.756 1.053 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.963 2.224 5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.150 1.961 6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.083 5.397 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.816 4.166 4.598 1.00 0.00 H new ATOM 1132 N GLY A 77 15.940 -0.411 4.182 1.00 0.00 N ATOM 1133 CA GLY A 77 15.151 -1.626 4.295 1.00 0.00 C ATOM 1134 C GLY A 77 13.733 -1.316 4.781 1.00 0.00 C ATOM 1135 O GLY A 77 13.480 -0.242 5.324 1.00 0.00 O ATOM 0 H GLY A 77 15.631 0.232 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.106 -2.126 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.634 -2.315 4.988 1.00 0.00 H new ATOM 1139 N THR A 78 12.846 -2.276 4.567 1.00 0.00 N ATOM 1140 CA THR A 78 11.460 -2.119 4.975 1.00 0.00 C ATOM 1141 C THR A 78 11.158 -3.004 6.186 1.00 0.00 C ATOM 1142 O THR A 78 11.730 -4.083 6.330 1.00 0.00 O ATOM 1143 CB THR A 78 10.573 -2.421 3.766 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.138 -1.639 2.717 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.157 -1.866 3.925 1.00 0.00 C ATOM 0 H THR A 78 13.060 -3.166 4.116 1.00 0.00 H new ATOM 0 HA THR A 78 11.256 -1.098 5.298 1.00 0.00 H new ATOM 0 HB THR A 78 10.524 -3.499 3.612 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.852 -1.998 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.570 -2.108 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.689 -2.310 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.202 -0.784 4.046 1.00 0.00 H new ATOM 1153 N LEU A 79 10.259 -2.514 7.027 1.00 0.00 N ATOM 1154 CA LEU A 79 9.873 -3.246 8.221 1.00 0.00 C ATOM 1155 C LEU A 79 8.384 -3.590 8.146 1.00 0.00 C ATOM 1156 O LEU A 79 7.562 -2.733 7.825 1.00 0.00 O ATOM 1157 CB LEU A 79 10.261 -2.464 9.478 1.00 0.00 C ATOM 1158 CG LEU A 79 11.721 -2.582 9.918 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.056 -1.545 10.992 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.042 -4.006 10.376 1.00 0.00 C ATOM 0 H LEU A 79 9.787 -1.618 6.905 1.00 0.00 H new ATOM 0 HA LEU A 79 10.415 -4.190 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.037 -1.411 9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.627 -2.798 10.299 1.00 0.00 H new ATOM 0 HG LEU A 79 12.355 -2.370 9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.100 -1.651 11.287 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.891 -0.543 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.416 -1.701 11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.086 -4.063 10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.401 -4.271 11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.868 -4.701 9.554 1.00 0.00 H new ATOM 1172 N LEU A 80 8.083 -4.845 8.446 1.00 0.00 N ATOM 1173 CA LEU A 80 6.708 -5.312 8.416 1.00 0.00 C ATOM 1174 C LEU A 80 6.297 -5.766 9.818 1.00 0.00 C ATOM 1175 O LEU A 80 6.768 -6.793 10.304 1.00 0.00 O ATOM 1176 CB LEU A 80 6.532 -6.390 7.344 1.00 0.00 C ATOM 1177 CG LEU A 80 5.092 -6.820 7.056 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.238 -5.626 6.627 1.00 0.00 C ATOM 1179 CD2 LEU A 80 5.053 -7.952 6.028 1.00 0.00 C ATOM 0 H LEU A 80 8.768 -5.553 8.711 1.00 0.00 H new ATOM 0 HA LEU A 80 6.036 -4.501 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.974 -6.027 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.100 -7.270 7.645 1.00 0.00 H new ATOM 0 HG LEU A 80 4.661 -7.208 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.220 -5.960 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.227 -4.882 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.658 -5.185 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.018 -8.239 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.509 -7.614 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.604 -8.811 6.411 1.00 0.00 H new ATOM 1191 N ASN A 81 5.423 -4.979 10.428 1.00 0.00 N ATOM 1192 CA ASN A 81 4.944 -5.287 11.765 1.00 0.00 C ATOM 1193 C ASN A 81 6.128 -5.313 12.733 1.00 0.00 C ATOM 1194 O ASN A 81 6.410 -4.321 13.402 1.00 0.00 O ATOM 1195 CB ASN A 81 4.270 -6.660 11.805 1.00 0.00 C ATOM 1196 CG ASN A 81 2.857 -6.595 11.221 1.00 0.00 C ATOM 1197 OD1 ASN A 81 1.992 -5.881 11.700 1.00 0.00 O ATOM 1198 ND2 ASN A 81 2.674 -7.377 10.161 1.00 0.00 N ATOM 0 H ASN A 81 5.034 -4.128 10.021 1.00 0.00 H new ATOM 0 HA ASN A 81 4.222 -4.522 12.049 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.867 -7.378 11.243 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.226 -7.018 12.834 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.766 -7.404 9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.442 -7.950 9.811 1.00 0.00 H new ATOM 1205 N SER A 82 6.791 -6.460 12.777 1.00 0.00 N ATOM 1206 CA SER A 82 7.938 -6.629 13.652 1.00 0.00 C ATOM 1207 C SER A 82 8.979 -7.529 12.983 1.00 0.00 C ATOM 1208 O SER A 82 9.304 -8.597 13.499 1.00 0.00 O ATOM 1209 CB SER A 82 7.520 -7.214 15.002 1.00 0.00 C ATOM 1210 OG SER A 82 8.490 -6.966 16.015 1.00 0.00 O ATOM 0 H SER A 82 6.555 -7.281 12.220 1.00 0.00 H new ATOM 0 HA SER A 82 8.377 -5.648 13.832 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.564 -6.785 15.303 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.369 -8.289 14.900 1.00 0.00 H new ATOM 0 HG SER A 82 8.185 -7.354 16.862 1.00 0.00 H new ATOM 1216 N ASN A 83 9.472 -7.065 11.845 1.00 0.00 N ATOM 1217 CA ASN A 83 10.469 -7.815 11.100 1.00 0.00 C ATOM 1218 C ASN A 83 10.860 -7.030 9.846 1.00 0.00 C ATOM 1219 O ASN A 83 10.013 -6.401 9.214 1.00 0.00 O ATOM 1220 CB ASN A 83 9.919 -9.172 10.656 1.00 0.00 C ATOM 1221 CG ASN A 83 11.004 -10.250 10.718 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.465 -10.643 11.777 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.384 -10.704 9.527 1.00 0.00 N ATOM 0 H ASN A 83 9.200 -6.179 11.420 1.00 0.00 H new ATOM 0 HA ASN A 83 11.330 -7.970 11.750 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.082 -9.456 11.294 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.533 -9.097 9.639 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.103 -11.425 9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.957 -10.331 8.679 1.00 0.00 H new ATOM 1230 N ALA A 84 12.143 -7.094 9.523 1.00 0.00 N ATOM 1231 CA ALA A 84 12.656 -6.397 8.356 1.00 0.00 C ATOM 1232 C ALA A 84 12.378 -7.233 7.105 1.00 0.00 C ATOM 1233 O ALA A 84 12.784 -8.392 7.025 1.00 0.00 O ATOM 1234 CB ALA A 84 14.147 -6.111 8.546 1.00 0.00 C ATOM 0 H ALA A 84 12.843 -7.618 10.049 1.00 0.00 H new ATOM 0 HA ALA A 84 12.153 -5.438 8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.532 -5.588 7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.289 -5.490 9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.685 -7.051 8.673 1.00 0.00 H new ATOM 1240 N LEU A 85 11.689 -6.613 6.158 1.00 0.00 N ATOM 1241 CA LEU A 85 11.352 -7.285 4.915 1.00 0.00 C ATOM 1242 C LEU A 85 12.639 -7.674 4.186 1.00 0.00 C ATOM 1243 O LEU A 85 13.737 -7.459 4.698 1.00 0.00 O ATOM 1244 CB LEU A 85 10.407 -6.421 4.078 1.00 0.00 C ATOM 1245 CG LEU A 85 8.999 -6.226 4.642 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.230 -5.170 3.846 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.245 -7.556 4.707 1.00 0.00 C ATOM 0 H LEU A 85 11.355 -5.652 6.227 1.00 0.00 H new ATOM 0 HA LEU A 85 10.808 -8.208 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.864 -5.440 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.321 -6.867 3.087 1.00 0.00 H new ATOM 0 HG LEU A 85 9.089 -5.856 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.232 -5.051 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.761 -4.219 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.149 -5.486 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.247 -7.389 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.165 -7.978 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.786 -8.250 5.351 1.00 0.00 H new ATOM 1259 N ASP A 86 12.462 -8.239 3.001 1.00 0.00 N ATOM 1260 CA ASP A 86 13.597 -8.660 2.195 1.00 0.00 C ATOM 1261 C ASP A 86 13.305 -8.371 0.721 1.00 0.00 C ATOM 1262 O ASP A 86 12.166 -8.495 0.274 1.00 0.00 O ATOM 1263 CB ASP A 86 13.849 -10.162 2.342 1.00 0.00 C ATOM 1264 CG ASP A 86 15.174 -10.533 3.010 1.00 0.00 C ATOM 1265 OD1 ASP A 86 15.454 -9.949 4.079 1.00 0.00 O ATOM 1266 OD2 ASP A 86 15.878 -11.392 2.437 1.00 0.00 O ATOM 0 H ASP A 86 11.550 -8.415 2.579 1.00 0.00 H new ATOM 0 HA ASP A 86 14.475 -8.112 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.034 -10.597 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.818 -10.619 1.353 1.00 0.00 H new ATOM 1271 N PRO A 87 14.382 -7.981 -0.012 1.00 0.00 N ATOM 1272 CA PRO A 87 14.253 -7.674 -1.426 1.00 0.00 C ATOM 1273 C PRO A 87 14.108 -8.952 -2.254 1.00 0.00 C ATOM 1274 O PRO A 87 13.359 -8.983 -3.229 1.00 0.00 O ATOM 1275 CB PRO A 87 15.503 -6.880 -1.771 1.00 0.00 C ATOM 1276 CG PRO A 87 16.501 -7.170 -0.662 1.00 0.00 C ATOM 1277 CD PRO A 87 15.746 -7.824 0.484 1.00 0.00 C ATOM 0 HA PRO A 87 13.356 -7.097 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.900 -7.179 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.284 -5.814 -1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.292 -7.827 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.979 -6.249 -0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.184 -8.786 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.772 -7.204 1.380 1.00 0.00 H new ATOM 1285 N GLU A 88 14.838 -9.976 -1.836 1.00 0.00 N ATOM 1286 CA GLU A 88 14.800 -11.253 -2.527 1.00 0.00 C ATOM 1287 C GLU A 88 13.723 -12.154 -1.919 1.00 0.00 C ATOM 1288 O GLU A 88 13.888 -13.371 -1.859 1.00 0.00 O ATOM 1289 CB GLU A 88 16.169 -11.936 -2.492 1.00 0.00 C ATOM 1290 CG GLU A 88 17.220 -11.095 -3.219 1.00 0.00 C ATOM 1291 CD GLU A 88 18.502 -11.898 -3.448 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.456 -12.809 -4.302 1.00 0.00 O ATOM 1293 OE2 GLU A 88 19.500 -11.582 -2.764 1.00 0.00 O ATOM 0 H GLU A 88 15.459 -9.947 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 88 14.547 -11.071 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.475 -12.092 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.101 -12.920 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.822 -10.757 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.445 -10.203 -2.635 1.00 0.00 H new ATOM 1300 N THR A 89 12.643 -11.520 -1.485 1.00 0.00 N ATOM 1301 CA THR A 89 11.539 -12.249 -0.884 1.00 0.00 C ATOM 1302 C THR A 89 10.251 -11.428 -0.967 1.00 0.00 C ATOM 1303 O THR A 89 10.287 -10.200 -0.899 1.00 0.00 O ATOM 1304 CB THR A 89 11.936 -12.613 0.548 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.055 -13.482 0.387 1.00 0.00 O ATOM 1306 CG2 THR A 89 10.887 -13.483 1.243 1.00 0.00 C ATOM 0 H THR A 89 12.509 -10.510 -1.538 1.00 0.00 H new ATOM 0 HA THR A 89 11.334 -13.173 -1.424 1.00 0.00 H new ATOM 0 HB THR A 89 12.092 -11.701 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.044 -13.866 -0.514 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.218 -13.713 2.256 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.939 -12.947 1.284 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.756 -14.410 0.685 1.00 0.00 H new ATOM 1314 N SER A 90 9.142 -12.139 -1.113 1.00 0.00 N ATOM 1315 CA SER A 90 7.845 -11.491 -1.205 1.00 0.00 C ATOM 1316 C SER A 90 6.914 -12.025 -0.115 1.00 0.00 C ATOM 1317 O SER A 90 6.670 -13.229 -0.037 1.00 0.00 O ATOM 1318 CB SER A 90 7.221 -11.703 -2.586 1.00 0.00 C ATOM 1319 OG SER A 90 6.825 -13.056 -2.791 1.00 0.00 O ATOM 0 H SER A 90 9.115 -13.157 -1.170 1.00 0.00 H new ATOM 0 HA SER A 90 7.987 -10.420 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.354 -11.051 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.937 -11.414 -3.355 1.00 0.00 H new ATOM 0 HG SER A 90 6.744 -13.508 -1.925 1.00 0.00 H new ATOM 1325 N VAL A 91 6.420 -11.105 0.700 1.00 0.00 N ATOM 1326 CA VAL A 91 5.522 -11.469 1.783 1.00 0.00 C ATOM 1327 C VAL A 91 4.092 -11.072 1.408 1.00 0.00 C ATOM 1328 O VAL A 91 3.883 -10.096 0.689 1.00 0.00 O ATOM 1329 CB VAL A 91 5.995 -10.833 3.091 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.340 -11.509 4.298 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.520 -10.874 3.201 1.00 0.00 C ATOM 0 H VAL A 91 6.624 -10.108 0.632 1.00 0.00 H new ATOM 0 HA VAL A 91 5.530 -12.548 1.940 1.00 0.00 H new ATOM 0 HB VAL A 91 5.688 -9.787 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.694 -11.038 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.257 -11.404 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.602 -12.567 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.830 -10.415 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.859 -11.910 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.960 -10.326 2.368 1.00 0.00 H new ATOM 1341 N ASN A 92 3.145 -11.849 1.913 1.00 0.00 N ATOM 1342 CA ASN A 92 1.741 -11.592 1.641 1.00 0.00 C ATOM 1343 C ASN A 92 1.183 -10.650 2.710 1.00 0.00 C ATOM 1344 O ASN A 92 1.101 -11.016 3.882 1.00 0.00 O ATOM 1345 CB ASN A 92 0.926 -12.886 1.678 1.00 0.00 C ATOM 1346 CG ASN A 92 0.935 -13.500 3.079 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.104 -13.201 3.921 1.00 0.00 O ATOM 1348 ND2 ASN A 92 1.919 -14.371 3.282 1.00 0.00 N ATOM 0 H ASN A 92 3.323 -12.657 2.509 1.00 0.00 H new ATOM 0 HA ASN A 92 1.666 -11.148 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.100 -12.682 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.336 -13.599 0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.012 -14.834 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.581 -14.576 2.534 1.00 0.00 H new ATOM 1355 N LEU A 93 0.814 -9.457 2.268 1.00 0.00 N ATOM 1356 CA LEU A 93 0.266 -8.461 3.173 1.00 0.00 C ATOM 1357 C LEU A 93 -0.859 -9.091 3.997 1.00 0.00 C ATOM 1358 O LEU A 93 -1.571 -9.969 3.513 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.164 -7.213 2.399 1.00 0.00 C ATOM 1360 CG LEU A 93 0.965 -6.291 1.934 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.413 -5.114 1.127 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.816 -5.826 3.117 1.00 0.00 C ATOM 0 H LEU A 93 0.884 -9.158 1.295 1.00 0.00 H new ATOM 0 HA LEU A 93 1.028 -8.125 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.731 -7.530 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.843 -6.636 3.027 1.00 0.00 H new ATOM 0 HG LEU A 93 1.619 -6.858 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.236 -4.474 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.115 -5.490 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.275 -4.539 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.611 -5.172 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.190 -5.282 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.254 -6.692 3.613 1.00 0.00 H new ATOM 1374 N GLY A 94 -0.983 -8.618 5.229 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.008 -9.123 6.125 1.00 0.00 C ATOM 1376 C GLY A 94 -2.941 -7.999 6.581 1.00 0.00 C ATOM 1377 O GLY A 94 -2.917 -6.903 6.024 1.00 0.00 O ATOM 0 H GLY A 94 -0.390 -7.890 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.586 -9.898 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.540 -9.587 6.993 1.00 0.00 H new ATOM 1381 N ASP A 95 -3.740 -8.310 7.591 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.679 -7.340 8.128 1.00 0.00 C ATOM 1383 C ASP A 95 -4.079 -6.696 9.380 1.00 0.00 C ATOM 1384 O ASP A 95 -3.746 -7.388 10.340 1.00 0.00 O ATOM 1385 CB ASP A 95 -5.996 -8.010 8.526 1.00 0.00 C ATOM 1386 CG ASP A 95 -5.955 -9.538 8.575 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -5.246 -10.059 9.463 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -6.634 -10.152 7.724 1.00 0.00 O ATOM 0 H ASP A 95 -3.756 -9.220 8.052 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.872 -6.595 7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.294 -7.638 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.769 -7.705 7.821 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.960 -5.377 9.328 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.406 -4.632 10.445 1.00 0.00 C ATOM 1395 C GLY A 96 -1.878 -4.719 10.460 1.00 0.00 C ATOM 1396 O GLY A 96 -1.260 -4.675 11.522 1.00 0.00 O ATOM 0 H GLY A 96 -4.238 -4.806 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.714 -3.588 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.805 -5.023 11.381 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.313 -4.842 9.268 1.00 0.00 N ATOM 1401 CA ASP A 97 0.130 -4.936 9.130 1.00 0.00 C ATOM 1402 C ASP A 97 0.725 -3.528 9.064 1.00 0.00 C ATOM 1403 O ASP A 97 0.390 -2.750 8.171 1.00 0.00 O ATOM 1404 CB ASP A 97 0.514 -5.672 7.844 1.00 0.00 C ATOM 1405 CG ASP A 97 0.092 -7.142 7.790 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.935 -7.461 8.427 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.806 -7.912 7.113 1.00 0.00 O ATOM 0 H ASP A 97 -1.829 -4.879 8.389 1.00 0.00 H new ATOM 0 HA ASP A 97 0.515 -5.485 9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.068 -5.150 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.595 -5.615 7.720 1.00 0.00 H new ATOM 1412 N VAL A 98 1.596 -3.243 10.020 1.00 0.00 N ATOM 1413 CA VAL A 98 2.240 -1.942 10.082 1.00 0.00 C ATOM 1414 C VAL A 98 3.535 -1.980 9.268 1.00 0.00 C ATOM 1415 O VAL A 98 4.427 -2.779 9.550 1.00 0.00 O ATOM 1416 CB VAL A 98 2.463 -1.537 11.541 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.635 -0.562 11.666 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.189 -0.944 12.146 1.00 0.00 C ATOM 0 H VAL A 98 1.871 -3.891 10.758 1.00 0.00 H new ATOM 0 HA VAL A 98 1.600 -1.178 9.641 1.00 0.00 H new ATOM 0 HB VAL A 98 2.714 -2.436 12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.772 -0.290 12.713 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.543 -1.035 11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.426 0.335 11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.375 -0.665 13.183 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.894 -0.061 11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.389 -1.684 12.107 1.00 0.00 H new ATOM 1428 N ILE A 99 3.597 -1.106 8.274 1.00 0.00 N ATOM 1429 CA ILE A 99 4.768 -1.029 7.417 1.00 0.00 C ATOM 1430 C ILE A 99 5.597 0.197 7.802 1.00 0.00 C ATOM 1431 O ILE A 99 5.186 1.331 7.559 1.00 0.00 O ATOM 1432 CB ILE A 99 4.356 -1.055 5.943 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.378 -2.199 5.667 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.583 -1.117 5.032 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.819 -2.112 4.246 1.00 0.00 C ATOM 0 H ILE A 99 2.855 -0.445 8.043 1.00 0.00 H new ATOM 0 HA ILE A 99 5.404 -1.902 7.562 1.00 0.00 H new ATOM 0 HB ILE A 99 3.835 -0.125 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.883 -3.155 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.560 -2.164 6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.262 -1.134 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.209 -0.241 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.154 -2.019 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.127 -2.937 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.294 -1.165 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.638 -2.172 3.529 1.00 0.00 H new ATOM 1447 N LYS A 100 6.751 -0.071 8.396 1.00 0.00 N ATOM 1448 CA LYS A 100 7.642 0.997 8.817 1.00 0.00 C ATOM 1449 C LYS A 100 8.739 1.184 7.767 1.00 0.00 C ATOM 1450 O LYS A 100 9.664 0.378 7.681 1.00 0.00 O ATOM 1451 CB LYS A 100 8.177 0.724 10.224 1.00 0.00 C ATOM 1452 CG LYS A 100 7.271 1.350 11.287 1.00 0.00 C ATOM 1453 CD LYS A 100 7.249 0.499 12.559 1.00 0.00 C ATOM 1454 CE LYS A 100 8.096 1.139 13.660 1.00 0.00 C ATOM 1455 NZ LYS A 100 7.980 0.367 14.918 1.00 0.00 N ATOM 0 H LYS A 100 7.089 -1.012 8.596 1.00 0.00 H new ATOM 0 HA LYS A 100 7.101 1.941 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.247 -0.351 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.186 1.127 10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.622 2.355 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.259 1.450 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.222 0.383 12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.626 -0.500 12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.139 1.181 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.772 2.166 13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.561 0.815 15.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.986 0.349 15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.311 -0.606 14.760 1.00 0.00 H new ATOM 1469 N LEU A 101 8.599 2.252 6.996 1.00 0.00 N ATOM 1470 CA LEU A 101 9.567 2.555 5.955 1.00 0.00 C ATOM 1471 C LEU A 101 10.081 3.984 6.143 1.00 0.00 C ATOM 1472 O LEU A 101 9.454 4.786 6.833 1.00 0.00 O ATOM 1473 CB LEU A 101 8.966 2.294 4.572 1.00 0.00 C ATOM 1474 CG LEU A 101 7.885 3.275 4.115 1.00 0.00 C ATOM 1475 CD1 LEU A 101 7.966 3.515 2.606 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.496 2.800 4.546 1.00 0.00 C ATOM 0 H LEU A 101 7.830 2.918 7.071 1.00 0.00 H new ATOM 0 HA LEU A 101 10.429 1.893 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.773 2.306 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.543 1.289 4.565 1.00 0.00 H new ATOM 0 HG LEU A 101 8.064 4.233 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.187 4.216 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.943 3.929 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.826 2.571 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.746 3.515 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.292 1.825 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.459 2.721 5.633 1.00 0.00 H new ATOM 1488 N GLY A 102 11.215 4.257 5.516 1.00 0.00 N ATOM 1489 CA GLY A 102 11.820 5.576 5.605 1.00 0.00 C ATOM 1490 C GLY A 102 12.388 5.825 7.004 1.00 0.00 C ATOM 1491 O GLY A 102 12.959 4.924 7.616 1.00 0.00 O ATOM 0 H GLY A 102 11.731 3.588 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.615 5.666 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.077 6.338 5.369 1.00 0.00 H new ATOM 1495 N GLU A 103 12.211 7.053 7.470 1.00 0.00 N ATOM 1496 CA GLU A 103 12.698 7.432 8.785 1.00 0.00 C ATOM 1497 C GLU A 103 11.601 7.238 9.834 1.00 0.00 C ATOM 1498 O GLU A 103 11.691 6.344 10.673 1.00 0.00 O ATOM 1499 CB GLU A 103 13.208 8.875 8.786 1.00 0.00 C ATOM 1500 CG GLU A 103 14.362 9.049 7.796 1.00 0.00 C ATOM 1501 CD GLU A 103 15.395 10.044 8.328 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.746 9.915 9.521 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.810 10.912 7.530 1.00 0.00 O ATOM 0 H GLU A 103 11.737 7.798 6.960 1.00 0.00 H new ATOM 0 HA GLU A 103 13.537 6.784 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.395 9.552 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.540 9.147 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.839 8.086 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.975 9.398 6.839 1.00 0.00 H new ATOM 1510 N TYR A 104 10.590 8.091 9.751 1.00 0.00 N ATOM 1511 CA TYR A 104 9.477 8.024 10.682 1.00 0.00 C ATOM 1512 C TYR A 104 8.146 7.900 9.938 1.00 0.00 C ATOM 1513 O TYR A 104 7.188 8.606 10.250 1.00 0.00 O ATOM 1514 CB TYR A 104 9.494 9.344 11.455 1.00 0.00 C ATOM 1515 CG TYR A 104 10.715 9.519 12.361 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.685 9.051 13.658 1.00 0.00 C ATOM 1517 CD2 TYR A 104 11.847 10.146 11.879 1.00 0.00 C ATOM 1518 CE1 TYR A 104 11.834 9.215 14.510 1.00 0.00 C ATOM 1519 CE2 TYR A 104 12.996 10.311 12.731 1.00 0.00 C ATOM 1520 CZ TYR A 104 12.933 9.837 14.005 1.00 0.00 C ATOM 1521 OH TYR A 104 14.018 9.993 14.809 1.00 0.00 O ATOM 0 H TYR A 104 10.519 8.832 9.053 1.00 0.00 H new ATOM 0 HA TYR A 104 9.574 7.156 11.334 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.460 10.170 10.744 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.591 9.409 12.062 1.00 0.00 H new ATOM 0 HD1 TYR A 104 9.799 8.561 14.035 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.871 10.512 10.863 1.00 0.00 H new ATOM 0 HE1 TYR A 104 11.823 8.852 15.527 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.888 10.800 12.367 1.00 0.00 H new ATOM 0 HH TYR A 104 14.728 10.453 14.314 1.00 0.00 H new ATOM 1531 N THR A 105 8.129 6.997 8.969 1.00 0.00 N ATOM 1532 CA THR A 105 6.931 6.772 8.177 1.00 0.00 C ATOM 1533 C THR A 105 6.399 5.356 8.407 1.00 0.00 C ATOM 1534 O THR A 105 7.115 4.378 8.198 1.00 0.00 O ATOM 1535 CB THR A 105 7.269 7.064 6.714 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.373 8.484 6.659 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.110 6.739 5.769 1.00 0.00 C ATOM 0 H THR A 105 8.925 6.413 8.714 1.00 0.00 H new ATOM 0 HA THR A 105 6.126 7.442 8.479 1.00 0.00 H new ATOM 0 HB THR A 105 8.147 6.488 6.423 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.592 8.761 5.745 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.403 6.964 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.860 5.681 5.851 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.241 7.339 6.039 1.00 0.00 H new ATOM 1545 N SER A 106 5.146 5.291 8.834 1.00 0.00 N ATOM 1546 CA SER A 106 4.510 4.011 9.094 1.00 0.00 C ATOM 1547 C SER A 106 3.179 3.926 8.345 1.00 0.00 C ATOM 1548 O SER A 106 2.390 4.870 8.366 1.00 0.00 O ATOM 1549 CB SER A 106 4.289 3.800 10.594 1.00 0.00 C ATOM 1550 OG SER A 106 5.487 3.992 11.341 1.00 0.00 O ATOM 0 H SER A 106 4.555 6.104 9.006 1.00 0.00 H new ATOM 0 HA SER A 106 5.172 3.222 8.737 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.525 4.492 10.949 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.911 2.792 10.767 1.00 0.00 H new ATOM 0 HG SER A 106 5.305 3.850 12.293 1.00 0.00 H new ATOM 1556 N ILE A 107 2.970 2.787 7.701 1.00 0.00 N ATOM 1557 CA ILE A 107 1.748 2.567 6.946 1.00 0.00 C ATOM 1558 C ILE A 107 0.991 1.380 7.545 1.00 0.00 C ATOM 1559 O ILE A 107 1.598 0.383 7.933 1.00 0.00 O ATOM 1560 CB ILE A 107 2.059 2.410 5.457 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.987 3.525 4.970 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.772 2.335 4.633 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.411 3.290 3.518 1.00 0.00 C ATOM 0 H ILE A 107 3.627 2.007 7.687 1.00 0.00 H new ATOM 0 HA ILE A 107 1.092 3.435 7.021 1.00 0.00 H new ATOM 0 HB ILE A 107 2.587 1.467 5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.481 4.487 5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.870 3.573 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.022 2.224 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.181 1.479 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.195 3.249 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.070 4.096 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.938 2.339 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.527 3.267 2.880 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.325 1.526 7.602 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.172 0.478 8.147 1.00 0.00 C ATOM 1577 C LEU A 108 -1.957 -0.180 7.010 1.00 0.00 C ATOM 1578 O LEU A 108 -2.560 0.508 6.188 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.056 1.032 9.265 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.414 0.350 9.446 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.246 -1.153 9.682 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.219 1.018 10.563 1.00 0.00 C ATOM 0 H LEU A 108 -0.826 2.354 7.280 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.566 -0.301 8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.508 0.960 10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.226 2.092 9.075 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.982 0.470 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.226 -1.613 9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.741 -1.601 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.651 -1.316 10.581 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.179 0.514 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.667 0.950 11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.385 2.066 10.315 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.923 -1.504 7.000 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.625 -2.263 5.978 1.00 0.00 C ATOM 1596 C VAL A 109 -3.974 -2.727 6.529 1.00 0.00 C ATOM 1597 O VAL A 109 -4.026 -3.497 7.488 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.748 -3.418 5.491 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.540 -4.362 4.584 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.498 -2.896 4.780 1.00 0.00 C ATOM 0 H VAL A 109 -1.421 -2.071 7.683 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.828 -1.637 5.109 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.424 -3.984 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.894 -5.174 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.385 -4.773 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.906 -3.812 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.108 -3.738 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.793 -2.295 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.083 -2.283 5.469 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.034 -2.240 5.901 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.380 -2.595 6.316 1.00 0.00 C ATOM 1612 C ASN A 110 -7.137 -3.186 5.125 1.00 0.00 C ATOM 1613 O ASN A 110 -7.287 -2.532 4.094 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.148 -1.366 6.803 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.383 -1.428 8.314 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.492 -1.286 8.802 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.280 -1.648 9.024 1.00 0.00 N ATOM 0 H ASN A 110 -4.988 -1.602 5.107 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.303 -3.317 7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.590 -0.463 6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.105 -1.302 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.331 -1.707 10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.383 -1.758 8.551 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.596 -4.415 5.307 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.334 -5.101 4.261 1.00 0.00 C ATOM 1626 C PHE A 111 -9.811 -4.700 4.278 1.00 0.00 C ATOM 1627 O PHE A 111 -10.553 -5.090 5.178 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.222 -6.600 4.543 1.00 0.00 C ATOM 1629 CG PHE A 111 -6.853 -7.196 4.209 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.194 -6.799 3.087 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.295 -8.122 5.034 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -4.923 -7.351 2.778 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.024 -8.674 4.724 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.365 -8.277 3.602 1.00 0.00 C ATOM 0 H PHE A 111 -7.471 -4.954 6.164 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.925 -4.839 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.437 -6.778 5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.985 -7.125 3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.638 -6.064 2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -6.818 -8.437 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.399 -7.035 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.580 -9.409 5.379 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.399 -8.697 3.366 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.193 -3.925 3.274 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.567 -3.467 3.162 1.00 0.00 C ATOM 1646 C VAL A 112 -12.381 -4.494 2.373 1.00 0.00 C ATOM 1647 O VAL A 112 -11.884 -5.077 1.410 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.604 -2.070 2.540 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -10.968 -1.037 3.473 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.925 -2.062 1.169 1.00 0.00 C ATOM 0 H VAL A 112 -9.574 -3.602 2.530 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.022 -3.381 4.149 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.649 -1.794 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.007 -0.053 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.514 -1.014 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.929 -1.308 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.965 -1.057 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.885 -2.369 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.441 -2.754 0.504 1.00 0.00 H new ATOM 1660 N SER A 113 -13.617 -4.685 2.810 1.00 0.00 N ATOM 1661 CA SER A 113 -14.504 -5.632 2.156 1.00 0.00 C ATOM 1662 C SER A 113 -15.909 -5.532 2.754 1.00 0.00 C ATOM 1663 O SER A 113 -16.129 -5.920 3.900 1.00 0.00 O ATOM 1664 CB SER A 113 -13.974 -7.062 2.284 1.00 0.00 C ATOM 1665 OG SER A 113 -14.010 -7.758 1.041 1.00 0.00 O ATOM 0 H SER A 113 -14.025 -4.200 3.609 1.00 0.00 H new ATOM 0 HA SER A 113 -14.548 -5.383 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.950 -7.037 2.656 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.567 -7.604 3.020 1.00 0.00 H new ATOM 0 HG SER A 113 -13.662 -8.666 1.164 1.00 0.00 H new ATOM 1671 N GLY A 114 -16.823 -5.008 1.950 1.00 0.00 N ATOM 1672 CA GLY A 114 -18.200 -4.851 2.385 1.00 0.00 C ATOM 1673 C GLY A 114 -18.370 -3.582 3.222 1.00 0.00 C ATOM 1674 O GLY A 114 -17.392 -3.029 3.723 1.00 0.00 O ATOM 0 H GLY A 114 -16.636 -4.687 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -18.857 -4.808 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.501 -5.720 2.970 1.00 0.00 H new ATOM 1678 N PRO A 115 -19.651 -3.145 3.350 1.00 0.00 N ATOM 1679 CA PRO A 115 -19.962 -1.951 4.117 1.00 0.00 C ATOM 1680 C PRO A 115 -19.869 -2.225 5.620 1.00 0.00 C ATOM 1681 O PRO A 115 -19.786 -3.378 6.040 1.00 0.00 O ATOM 1682 CB PRO A 115 -21.359 -1.549 3.672 1.00 0.00 C ATOM 1683 CG PRO A 115 -21.961 -2.785 3.023 1.00 0.00 C ATOM 1684 CD PRO A 115 -20.834 -3.774 2.770 1.00 0.00 C ATOM 0 HA PRO A 115 -19.254 -1.141 3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -21.960 -1.221 4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -21.321 -0.718 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -22.718 -3.226 3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -22.456 -2.523 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -21.040 -4.737 3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -20.702 -3.959 1.704 1.00 0.00 H new ATOM 1692 N SER A 116 -19.885 -1.146 6.388 1.00 0.00 N ATOM 1693 CA SER A 116 -19.804 -1.255 7.834 1.00 0.00 C ATOM 1694 C SER A 116 -20.756 -2.345 8.331 1.00 0.00 C ATOM 1695 O SER A 116 -20.324 -3.314 8.954 1.00 0.00 O ATOM 1696 CB SER A 116 -20.128 0.080 8.507 1.00 0.00 C ATOM 1697 OG SER A 116 -19.639 0.137 9.844 1.00 0.00 O ATOM 0 H SER A 116 -19.953 -0.191 6.036 1.00 0.00 H new ATOM 0 HA SER A 116 -18.782 -1.525 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.692 0.893 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.207 0.232 8.509 1.00 0.00 H new ATOM 0 HG SER A 116 -19.865 1.005 10.238 1.00 0.00 H new ATOM 1703 N SER A 117 -22.033 -2.150 8.036 1.00 0.00 N ATOM 1704 CA SER A 117 -23.049 -3.105 8.445 1.00 0.00 C ATOM 1705 C SER A 117 -22.946 -3.367 9.949 1.00 0.00 C ATOM 1706 O SER A 117 -22.299 -4.323 10.373 1.00 0.00 O ATOM 1707 CB SER A 117 -22.918 -4.416 7.668 1.00 0.00 C ATOM 1708 OG SER A 117 -23.628 -4.377 6.433 1.00 0.00 O ATOM 0 H SER A 117 -22.387 -1.345 7.519 1.00 0.00 H new ATOM 0 HA SER A 117 -24.027 -2.679 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 117 -21.865 -4.619 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.295 -5.238 8.277 1.00 0.00 H new ATOM 0 HG SER A 117 -23.519 -5.231 5.966 1.00 0.00 H new ATOM 1714 N GLY A 118 -23.594 -2.501 10.714 1.00 0.00 N ATOM 1715 CA GLY A 118 -23.583 -2.626 12.162 1.00 0.00 C ATOM 1716 C GLY A 118 -22.158 -2.529 12.710 1.00 0.00 C ATOM 1717 O GLY A 118 -21.202 -2.407 11.946 1.00 0.00 O ATOM 0 H GLY A 118 -24.130 -1.710 10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -24.200 -1.843 12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -24.024 -3.580 12.452 1.00 0.00 H new TER 1721 GLY A 118