USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 592 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 Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.182 (180deg=-0.88) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.08! C(o=-5.1!,f=-15!) USER MOD Single : A 44 CYS SG : rot 180:sc= -0.172 USER MOD Single : A 49 ASN : amide:sc= -0.891! X(o=-0.89!,f=-0.46) USER MOD Single : A 50 CYS SG : rot 64:sc= -0.0751 USER MOD Single : A 51 MET CE :methyl 161:sc= -0.116 (180deg=-0.483) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= -0.0484 (180deg=-0.0484) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -160:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -50:sc= -0.742 USER MOD Single : A 68 GLN : amide:sc= -0.0455 X(o=-0.046,f=-0.36) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.651 K(o=-0.65,f=-1.6) USER MOD Single : A 72 MET CE :methyl 160:sc= -0.215 (180deg=-1.36) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=-0.17) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -19.675 -9.218 -17.735 1.00 0.00 N ATOM 2 CA ASP A 16 -19.312 -7.830 -17.358 1.00 0.00 C ATOM 3 C ASP A 16 -18.785 -7.062 -18.565 1.00 0.00 C ATOM 4 O ASP A 16 -18.321 -7.648 -19.523 1.00 0.00 O ATOM 5 CB ASP A 16 -18.209 -7.891 -16.291 1.00 0.00 C ATOM 6 CG ASP A 16 -18.442 -9.107 -15.392 1.00 0.00 C ATOM 7 OD1 ASP A 16 -19.547 -9.201 -14.884 1.00 0.00 O ATOM 8 OD2 ASP A 16 -17.501 -9.873 -15.264 1.00 0.00 O ATOM 0 HA ASP A 16 -20.197 -7.320 -16.978 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.230 -7.958 -16.766 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.212 -6.978 -15.695 1.00 0.00 H new ATOM 13 N ARG A 17 -18.867 -5.761 -18.498 1.00 0.00 N ATOM 14 CA ARG A 17 -18.376 -4.942 -19.633 1.00 0.00 C ATOM 15 C ARG A 17 -16.860 -5.042 -19.760 1.00 0.00 C ATOM 16 O ARG A 17 -16.321 -4.997 -20.848 1.00 0.00 O ATOM 17 CB ARG A 17 -18.754 -3.477 -19.373 1.00 0.00 C ATOM 18 CG ARG A 17 -18.221 -2.612 -20.518 1.00 0.00 C ATOM 19 CD ARG A 17 -18.575 -1.148 -20.248 1.00 0.00 C ATOM 20 NE ARG A 17 -17.891 -0.289 -21.255 1.00 0.00 N ATOM 21 CZ ARG A 17 -18.601 0.512 -22.003 1.00 0.00 C ATOM 22 NH1 ARG A 17 -19.809 0.153 -22.343 1.00 0.00 N ATOM 23 NH2 ARG A 17 -18.077 1.644 -22.387 1.00 0.00 N ATOM 0 H ARG A 17 -19.250 -5.237 -17.711 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.828 -5.307 -20.555 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.837 -3.376 -19.298 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.336 -3.143 -18.423 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.141 -2.728 -20.605 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.653 -2.935 -21.465 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.654 -1.006 -20.303 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.267 -0.866 -19.241 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.877 -0.326 -21.359 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.184 -0.741 -22.025 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.378 0.766 -22.927 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.129 1.890 -22.103 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.616 2.283 -22.972 1.00 0.00 H new ATOM 37 N SER A 18 -16.196 -5.175 -18.643 1.00 0.00 N ATOM 38 CA SER A 18 -14.715 -5.278 -18.683 1.00 0.00 C ATOM 39 C SER A 18 -14.169 -5.760 -17.344 1.00 0.00 C ATOM 40 O SER A 18 -14.883 -6.343 -16.553 1.00 0.00 O ATOM 41 CB SER A 18 -14.142 -3.884 -18.981 1.00 0.00 C ATOM 42 OG SER A 18 -14.565 -3.092 -17.881 1.00 0.00 O ATOM 0 H SER A 18 -16.614 -5.216 -17.713 1.00 0.00 H new ATOM 0 HA SER A 18 -14.427 -5.993 -19.453 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.055 -3.908 -19.060 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.521 -3.491 -19.924 1.00 0.00 H new ATOM 0 HG SER A 18 -14.236 -2.176 -17.992 1.00 0.00 H new ATOM 48 N LEU A 19 -12.909 -5.505 -17.112 1.00 0.00 N ATOM 49 CA LEU A 19 -12.301 -5.942 -15.830 1.00 0.00 C ATOM 50 C LEU A 19 -12.709 -5.014 -14.691 1.00 0.00 C ATOM 51 O LEU A 19 -13.035 -3.864 -14.910 1.00 0.00 O ATOM 52 CB LEU A 19 -10.772 -5.902 -15.979 1.00 0.00 C ATOM 53 CG LEU A 19 -10.136 -6.691 -14.832 1.00 0.00 C ATOM 54 CD1 LEU A 19 -10.038 -8.165 -15.230 1.00 0.00 C ATOM 55 CD2 LEU A 19 -8.730 -6.148 -14.564 1.00 0.00 C ATOM 0 H LEU A 19 -12.282 -5.017 -17.751 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.646 -6.950 -15.598 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.476 -6.328 -16.938 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.420 -4.871 -15.966 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.746 -6.591 -13.934 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.586 -8.732 -14.417 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.036 -8.554 -15.433 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.423 -8.260 -16.125 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.273 -6.707 -13.747 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.121 -6.255 -15.462 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.793 -5.094 -14.291 1.00 0.00 H new ATOM 67 N ARG A 20 -12.684 -5.531 -13.494 1.00 0.00 N ATOM 68 CA ARG A 20 -13.065 -4.697 -12.330 1.00 0.00 C ATOM 69 C ARG A 20 -12.415 -3.299 -12.426 1.00 0.00 C ATOM 70 O ARG A 20 -11.207 -3.183 -12.401 1.00 0.00 O ATOM 71 CB ARG A 20 -12.540 -5.383 -11.060 1.00 0.00 C ATOM 72 CG ARG A 20 -12.956 -6.855 -11.071 1.00 0.00 C ATOM 73 CD ARG A 20 -12.474 -7.524 -9.781 1.00 0.00 C ATOM 74 NE ARG A 20 -11.558 -8.646 -10.132 1.00 0.00 N ATOM 75 CZ ARG A 20 -10.343 -8.381 -10.529 1.00 0.00 C ATOM 76 NH1 ARG A 20 -9.577 -7.647 -9.769 1.00 0.00 N ATOM 77 NH2 ARG A 20 -9.935 -8.860 -11.672 1.00 0.00 N ATOM 0 H ARG A 20 -12.417 -6.491 -13.276 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.149 -4.586 -12.308 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.454 -5.301 -11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.938 -4.887 -10.174 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.040 -6.938 -11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.529 -7.359 -11.938 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.958 -6.800 -9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.324 -7.896 -9.209 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.878 -9.612 -10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.931 -7.291 -8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.625 -7.430 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.562 -9.431 -12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.989 -8.664 -11.999 1.00 0.00 H new ATOM 91 N PRO A 21 -13.232 -2.251 -12.534 1.00 0.00 N ATOM 92 CA PRO A 21 -12.705 -0.893 -12.628 1.00 0.00 C ATOM 93 C PRO A 21 -11.945 -0.510 -11.360 1.00 0.00 C ATOM 94 O PRO A 21 -11.187 0.441 -11.349 1.00 0.00 O ATOM 95 CB PRO A 21 -13.946 0.011 -12.784 1.00 0.00 C ATOM 96 CG PRO A 21 -15.202 -0.912 -12.736 1.00 0.00 C ATOM 97 CD PRO A 21 -14.701 -2.356 -12.572 1.00 0.00 C ATOM 0 HA PRO A 21 -12.006 -0.795 -13.459 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.984 0.753 -11.986 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.907 0.558 -13.726 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.852 -0.634 -11.906 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.789 -0.810 -13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.088 -2.806 -11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.030 -2.984 -13.400 1.00 0.00 H new ATOM 105 N GLU A 22 -12.166 -1.259 -10.313 1.00 0.00 N ATOM 106 CA GLU A 22 -11.467 -0.958 -9.038 1.00 0.00 C ATOM 107 C GLU A 22 -9.967 -1.172 -9.181 1.00 0.00 C ATOM 108 O GLU A 22 -9.181 -0.586 -8.463 1.00 0.00 O ATOM 109 CB GLU A 22 -11.997 -1.916 -7.956 1.00 0.00 C ATOM 110 CG GLU A 22 -13.515 -1.760 -7.842 1.00 0.00 C ATOM 111 CD GLU A 22 -13.836 -0.665 -6.821 1.00 0.00 C ATOM 112 OE1 GLU A 22 -12.918 0.084 -6.524 1.00 0.00 O ATOM 113 OE2 GLU A 22 -14.978 -0.638 -6.397 1.00 0.00 O ATOM 0 H GLU A 22 -12.797 -2.060 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.651 0.082 -8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.744 -2.945 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.525 -1.698 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.940 -1.504 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.967 -2.703 -7.535 1.00 0.00 H new ATOM 120 N GLU A 23 -9.598 -2.009 -10.108 1.00 0.00 N ATOM 121 CA GLU A 23 -8.156 -2.279 -10.318 1.00 0.00 C ATOM 122 C GLU A 23 -7.449 -1.059 -10.895 1.00 0.00 C ATOM 123 O GLU A 23 -6.441 -0.622 -10.377 1.00 0.00 O ATOM 124 CB GLU A 23 -8.026 -3.442 -11.313 1.00 0.00 C ATOM 125 CG GLU A 23 -8.347 -4.753 -10.598 1.00 0.00 C ATOM 126 CD GLU A 23 -7.129 -5.199 -9.786 1.00 0.00 C ATOM 127 OE1 GLU A 23 -6.127 -4.513 -9.892 1.00 0.00 O ATOM 128 OE2 GLU A 23 -7.271 -6.201 -9.104 1.00 0.00 O ATOM 0 H GLU A 23 -10.232 -2.515 -10.726 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.697 -2.523 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.706 -3.296 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.016 -3.475 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.207 -4.621 -9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.615 -5.520 -11.324 1.00 0.00 H new ATOM 135 N ILE A 24 -7.989 -0.530 -11.957 1.00 0.00 N ATOM 136 CA ILE A 24 -7.359 0.659 -12.579 1.00 0.00 C ATOM 137 C ILE A 24 -7.365 1.844 -11.622 1.00 0.00 C ATOM 138 O ILE A 24 -6.453 2.646 -11.620 1.00 0.00 O ATOM 139 CB ILE A 24 -8.161 1.031 -13.826 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.206 -0.152 -14.784 1.00 0.00 C ATOM 141 CG2 ILE A 24 -7.456 2.207 -14.528 1.00 0.00 C ATOM 142 CD1 ILE A 24 -6.781 -0.636 -15.055 1.00 0.00 C ATOM 0 H ILE A 24 -8.834 -0.869 -12.416 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.325 0.421 -12.831 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.176 1.305 -13.539 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.801 -0.959 -14.356 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.687 0.139 -15.718 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.015 2.486 -15.421 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.407 3.059 -13.850 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.446 1.910 -14.811 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.809 -1.483 -15.740 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.201 0.172 -15.500 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.317 -0.943 -14.118 1.00 0.00 H new ATOM 154 N GLU A 25 -8.389 1.932 -10.825 1.00 0.00 N ATOM 155 CA GLU A 25 -8.463 3.059 -9.867 1.00 0.00 C ATOM 156 C GLU A 25 -7.531 2.830 -8.687 1.00 0.00 C ATOM 157 O GLU A 25 -6.901 3.751 -8.206 1.00 0.00 O ATOM 158 CB GLU A 25 -9.904 3.161 -9.351 1.00 0.00 C ATOM 159 CG GLU A 25 -9.978 4.247 -8.276 1.00 0.00 C ATOM 160 CD GLU A 25 -11.410 4.339 -7.750 1.00 0.00 C ATOM 161 OE1 GLU A 25 -12.301 4.189 -8.571 1.00 0.00 O ATOM 162 OE2 GLU A 25 -11.535 4.554 -6.555 1.00 0.00 O ATOM 0 H GLU A 25 -9.171 1.277 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.163 3.977 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.581 3.398 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.224 2.204 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.293 4.015 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.668 5.206 -8.690 1.00 0.00 H new ATOM 169 N GLU A 26 -7.457 1.608 -8.236 1.00 0.00 N ATOM 170 CA GLU A 26 -6.567 1.320 -7.090 1.00 0.00 C ATOM 171 C GLU A 26 -5.111 1.444 -7.509 1.00 0.00 C ATOM 172 O GLU A 26 -4.252 1.730 -6.700 1.00 0.00 O ATOM 173 CB GLU A 26 -6.831 -0.116 -6.611 1.00 0.00 C ATOM 174 CG GLU A 26 -5.924 -0.424 -5.417 1.00 0.00 C ATOM 175 CD GLU A 26 -4.558 -0.886 -5.926 1.00 0.00 C ATOM 176 OE1 GLU A 26 -4.566 -1.666 -6.865 1.00 0.00 O ATOM 177 OE2 GLU A 26 -3.583 -0.434 -5.348 1.00 0.00 O ATOM 0 H GLU A 26 -7.970 0.809 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.767 2.033 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.877 -0.231 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.641 -0.822 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.812 0.463 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.373 -1.197 -4.794 1.00 0.00 H new ATOM 184 N LEU A 27 -4.857 1.222 -8.771 1.00 0.00 N ATOM 185 CA LEU A 27 -3.464 1.326 -9.256 1.00 0.00 C ATOM 186 C LEU A 27 -3.029 2.774 -9.276 1.00 0.00 C ATOM 187 O LEU A 27 -2.003 3.130 -8.729 1.00 0.00 O ATOM 188 CB LEU A 27 -3.404 0.783 -10.687 1.00 0.00 C ATOM 189 CG LEU A 27 -3.235 -0.729 -10.645 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.729 -1.315 -11.964 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.752 -1.063 -10.463 1.00 0.00 C ATOM 0 H LEU A 27 -5.552 0.976 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.808 0.758 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.315 1.044 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.573 1.238 -11.226 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.807 -1.148 -9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.613 -2.399 -11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.781 -1.065 -12.102 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.146 -0.901 -12.787 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.624 -2.145 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.182 -0.654 -11.297 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.393 -0.628 -9.530 1.00 0.00 H new ATOM 203 N ARG A 28 -3.820 3.590 -9.911 1.00 0.00 N ATOM 204 CA ARG A 28 -3.476 5.029 -9.984 1.00 0.00 C ATOM 205 C ARG A 28 -3.227 5.597 -8.599 1.00 0.00 C ATOM 206 O ARG A 28 -2.297 6.353 -8.395 1.00 0.00 O ATOM 207 CB ARG A 28 -4.656 5.778 -10.627 1.00 0.00 C ATOM 208 CG ARG A 28 -4.213 7.195 -10.996 1.00 0.00 C ATOM 209 CD ARG A 28 -5.236 7.812 -11.956 1.00 0.00 C ATOM 210 NE ARG A 28 -6.553 7.136 -11.770 1.00 0.00 N ATOM 211 CZ ARG A 28 -7.533 7.398 -12.595 1.00 0.00 C ATOM 212 NH1 ARG A 28 -7.991 8.618 -12.663 1.00 0.00 N ATOM 213 NH2 ARG A 28 -8.021 6.431 -13.325 1.00 0.00 N ATOM 0 H ARG A 28 -4.685 3.322 -10.380 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.568 5.149 -10.575 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.997 5.248 -11.516 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.498 5.816 -9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.125 7.806 -10.098 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.228 7.171 -11.462 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.332 8.881 -11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.899 7.701 -12.987 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.688 6.475 -11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.585 9.349 -12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.755 8.841 -13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.638 5.489 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.786 6.618 -13.974 1.00 0.00 H new ATOM 227 N GLU A 29 -4.056 5.226 -7.668 1.00 0.00 N ATOM 228 CA GLU A 29 -3.869 5.744 -6.299 1.00 0.00 C ATOM 229 C GLU A 29 -2.645 5.113 -5.663 1.00 0.00 C ATOM 230 O GLU A 29 -1.925 5.752 -4.922 1.00 0.00 O ATOM 231 CB GLU A 29 -5.108 5.382 -5.474 1.00 0.00 C ATOM 232 CG GLU A 29 -6.235 6.363 -5.818 1.00 0.00 C ATOM 233 CD GLU A 29 -7.433 6.107 -4.901 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.258 6.310 -3.712 1.00 0.00 O ATOM 235 OE2 GLU A 29 -8.457 5.724 -5.444 1.00 0.00 O ATOM 0 H GLU A 29 -4.845 4.593 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.731 6.825 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.419 4.360 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.879 5.428 -4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.887 7.389 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.530 6.244 -6.861 1.00 0.00 H new ATOM 242 N ALA A 30 -2.434 3.866 -5.964 1.00 0.00 N ATOM 243 CA ALA A 30 -1.263 3.170 -5.391 1.00 0.00 C ATOM 244 C ALA A 30 0.030 3.721 -5.985 1.00 0.00 C ATOM 245 O ALA A 30 0.946 4.060 -5.265 1.00 0.00 O ATOM 246 CB ALA A 30 -1.371 1.674 -5.726 1.00 0.00 C ATOM 0 H ALA A 30 -3.021 3.303 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.246 3.323 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.514 1.145 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.289 1.271 -5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.387 1.544 -6.808 1.00 0.00 H new ATOM 252 N PHE A 31 0.085 3.813 -7.290 1.00 0.00 N ATOM 253 CA PHE A 31 1.319 4.343 -7.918 1.00 0.00 C ATOM 254 C PHE A 31 1.591 5.738 -7.408 1.00 0.00 C ATOM 255 O PHE A 31 2.724 6.179 -7.327 1.00 0.00 O ATOM 256 CB PHE A 31 1.097 4.421 -9.434 1.00 0.00 C ATOM 257 CG PHE A 31 2.418 4.769 -10.129 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.823 6.088 -10.264 1.00 0.00 C ATOM 259 CD2 PHE A 31 3.212 3.770 -10.650 1.00 0.00 C ATOM 260 CE1 PHE A 31 4.005 6.390 -10.915 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.388 4.074 -11.299 1.00 0.00 C ATOM 262 CZ PHE A 31 4.785 5.382 -11.431 1.00 0.00 C ATOM 0 H PHE A 31 -0.661 3.547 -7.933 1.00 0.00 H new ATOM 0 HA PHE A 31 2.160 3.692 -7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.718 3.469 -9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.344 5.175 -9.663 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.213 6.882 -9.859 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.909 2.738 -10.548 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.316 7.419 -11.018 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.999 3.282 -11.705 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.708 5.619 -11.939 1.00 0.00 H new ATOM 272 N ARG A 32 0.538 6.404 -7.056 1.00 0.00 N ATOM 273 CA ARG A 32 0.683 7.787 -6.540 1.00 0.00 C ATOM 274 C ARG A 32 1.084 7.799 -5.080 1.00 0.00 C ATOM 275 O ARG A 32 2.110 8.339 -4.724 1.00 0.00 O ATOM 276 CB ARG A 32 -0.659 8.489 -6.670 1.00 0.00 C ATOM 277 CG ARG A 32 -0.465 9.996 -6.460 1.00 0.00 C ATOM 278 CD ARG A 32 -1.171 10.419 -5.170 1.00 0.00 C ATOM 279 NE ARG A 32 -1.124 11.904 -5.059 1.00 0.00 N ATOM 280 CZ ARG A 32 -1.514 12.477 -3.953 1.00 0.00 C ATOM 281 NH1 ARG A 32 -2.552 11.997 -3.325 1.00 0.00 N ATOM 282 NH2 ARG A 32 -0.853 13.512 -3.512 1.00 0.00 N ATOM 0 H ARG A 32 -0.419 6.053 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 32 1.460 8.289 -7.116 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.088 8.299 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.361 8.095 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.597 10.233 -6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.869 10.549 -7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.205 10.074 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.687 9.961 -4.308 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.790 12.468 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.045 11.186 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.871 12.432 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.046 13.860 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.143 13.973 -2.649 1.00 0.00 H new ATOM 296 N GLU A 33 0.262 7.219 -4.247 1.00 0.00 N ATOM 297 CA GLU A 33 0.601 7.200 -2.810 1.00 0.00 C ATOM 298 C GLU A 33 2.051 6.806 -2.632 1.00 0.00 C ATOM 299 O GLU A 33 2.676 7.138 -1.645 1.00 0.00 O ATOM 300 CB GLU A 33 -0.285 6.165 -2.111 1.00 0.00 C ATOM 301 CG GLU A 33 -0.090 6.290 -0.600 1.00 0.00 C ATOM 302 CD GLU A 33 -0.570 7.670 -0.142 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.673 8.016 -0.533 1.00 0.00 O ATOM 304 OE2 GLU A 33 0.194 8.300 0.570 1.00 0.00 O ATOM 0 H GLU A 33 -0.616 6.766 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 33 0.440 8.190 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.331 6.326 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.025 5.160 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.647 5.508 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.961 6.154 -0.345 1.00 0.00 H new ATOM 311 N PHE A 34 2.560 6.101 -3.605 1.00 0.00 N ATOM 312 CA PHE A 34 3.965 5.662 -3.535 1.00 0.00 C ATOM 313 C PHE A 34 4.861 6.595 -4.342 1.00 0.00 C ATOM 314 O PHE A 34 6.065 6.602 -4.168 1.00 0.00 O ATOM 315 CB PHE A 34 4.060 4.246 -4.120 1.00 0.00 C ATOM 316 CG PHE A 34 3.852 3.225 -2.995 1.00 0.00 C ATOM 317 CD1 PHE A 34 4.846 3.002 -2.056 1.00 0.00 C ATOM 318 CD2 PHE A 34 2.666 2.519 -2.896 1.00 0.00 C ATOM 319 CE1 PHE A 34 4.653 2.092 -1.039 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.478 1.610 -1.877 1.00 0.00 C ATOM 321 CZ PHE A 34 3.470 1.397 -0.951 1.00 0.00 C ATOM 0 H PHE A 34 2.055 5.814 -4.444 1.00 0.00 H new ATOM 0 HA PHE A 34 4.295 5.676 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.308 4.109 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.033 4.097 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.778 3.544 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.883 2.681 -3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.432 1.925 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.549 1.064 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.321 0.684 -0.154 1.00 0.00 H new ATOM 331 N ASP A 35 4.262 7.377 -5.215 1.00 0.00 N ATOM 332 CA ASP A 35 5.083 8.309 -6.031 1.00 0.00 C ATOM 333 C ASP A 35 5.829 9.311 -5.143 1.00 0.00 C ATOM 334 O ASP A 35 6.301 10.325 -5.616 1.00 0.00 O ATOM 335 CB ASP A 35 4.149 9.081 -6.976 1.00 0.00 C ATOM 336 CG ASP A 35 4.984 9.984 -7.885 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.103 9.585 -8.163 1.00 0.00 O ATOM 338 OD2 ASP A 35 4.456 11.021 -8.251 1.00 0.00 O ATOM 0 H ASP A 35 3.257 7.405 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 35 5.818 7.732 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.563 8.385 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.443 9.679 -6.400 1.00 0.00 H new ATOM 343 N LYS A 36 5.922 9.007 -3.869 1.00 0.00 N ATOM 344 CA LYS A 36 6.632 9.928 -2.942 1.00 0.00 C ATOM 345 C LYS A 36 7.930 10.432 -3.569 1.00 0.00 C ATOM 346 O LYS A 36 8.398 11.509 -3.257 1.00 0.00 O ATOM 347 CB LYS A 36 6.973 9.147 -1.656 1.00 0.00 C ATOM 348 CG LYS A 36 7.511 10.117 -0.600 1.00 0.00 C ATOM 349 CD LYS A 36 8.114 9.320 0.562 1.00 0.00 C ATOM 350 CE LYS A 36 7.201 8.137 0.895 1.00 0.00 C ATOM 351 NZ LYS A 36 7.609 7.512 2.185 1.00 0.00 N ATOM 0 H LYS A 36 5.538 8.165 -3.439 1.00 0.00 H new ATOM 0 HA LYS A 36 5.993 10.784 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.085 8.638 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.715 8.377 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.266 10.768 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.708 10.759 -0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.108 8.962 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.230 9.961 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.167 8.475 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.247 7.398 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.980 6.711 2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.589 7.172 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.543 8.216 2.948 1.00 0.00 H new ATOM 365 N ASP A 37 8.484 9.642 -4.448 1.00 0.00 N ATOM 366 CA ASP A 37 9.752 10.052 -5.109 1.00 0.00 C ATOM 367 C ASP A 37 9.559 11.313 -5.942 1.00 0.00 C ATOM 368 O ASP A 37 10.513 11.875 -6.441 1.00 0.00 O ATOM 369 CB ASP A 37 10.201 8.917 -6.041 1.00 0.00 C ATOM 370 CG ASP A 37 10.067 7.580 -5.313 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.969 7.053 -5.347 1.00 0.00 O ATOM 372 OD2 ASP A 37 11.073 7.161 -4.763 1.00 0.00 O ATOM 0 H ASP A 37 8.115 8.736 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 37 10.497 10.255 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.594 8.913 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.234 9.073 -6.351 1.00 0.00 H new ATOM 377 N LYS A 38 8.322 11.728 -6.073 1.00 0.00 N ATOM 378 CA LYS A 38 8.022 12.954 -6.871 1.00 0.00 C ATOM 379 C LYS A 38 8.950 13.083 -8.081 1.00 0.00 C ATOM 380 O LYS A 38 9.284 14.176 -8.495 1.00 0.00 O ATOM 381 CB LYS A 38 8.199 14.188 -5.962 1.00 0.00 C ATOM 382 CG LYS A 38 9.655 14.278 -5.498 1.00 0.00 C ATOM 383 CD LYS A 38 9.872 15.616 -4.778 1.00 0.00 C ATOM 384 CE LYS A 38 11.323 15.697 -4.296 1.00 0.00 C ATOM 385 NZ LYS A 38 11.693 14.465 -3.544 1.00 0.00 N ATOM 0 H LYS A 38 7.509 11.270 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 38 6.999 12.884 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.922 15.093 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.536 14.116 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.888 13.449 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.327 14.197 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.653 16.445 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.190 15.703 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.989 15.823 -5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.452 16.572 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.523 14.658 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.896 14.172 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.919 13.703 -4.215 1.00 0.00 H new ATOM 399 N ASP A 39 9.347 11.953 -8.625 1.00 0.00 N ATOM 400 CA ASP A 39 10.254 11.975 -9.807 1.00 0.00 C ATOM 401 C ASP A 39 9.485 11.637 -11.077 1.00 0.00 C ATOM 402 O ASP A 39 9.837 12.078 -12.153 1.00 0.00 O ATOM 403 CB ASP A 39 11.345 10.911 -9.598 1.00 0.00 C ATOM 404 CG ASP A 39 10.703 9.621 -9.085 1.00 0.00 C ATOM 405 OD1 ASP A 39 9.484 9.574 -9.111 1.00 0.00 O ATOM 406 OD2 ASP A 39 11.468 8.753 -8.694 1.00 0.00 O ATOM 0 H ASP A 39 9.080 11.024 -8.299 1.00 0.00 H new ATOM 0 HA ASP A 39 10.687 12.970 -9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.869 10.722 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.087 11.270 -8.885 1.00 0.00 H new ATOM 411 N GLY A 40 8.445 10.855 -10.922 1.00 0.00 N ATOM 412 CA GLY A 40 7.621 10.463 -12.104 1.00 0.00 C ATOM 413 C GLY A 40 7.779 8.967 -12.391 1.00 0.00 C ATOM 414 O GLY A 40 7.149 8.434 -13.282 1.00 0.00 O ATOM 0 H GLY A 40 8.133 10.473 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.572 10.696 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.926 11.041 -12.976 1.00 0.00 H new ATOM 418 N TYR A 41 8.622 8.323 -11.632 1.00 0.00 N ATOM 419 CA TYR A 41 8.831 6.869 -11.848 1.00 0.00 C ATOM 420 C TYR A 41 9.202 6.179 -10.545 1.00 0.00 C ATOM 421 O TYR A 41 9.848 6.766 -9.697 1.00 0.00 O ATOM 422 CB TYR A 41 9.988 6.684 -12.841 1.00 0.00 C ATOM 423 CG TYR A 41 9.704 7.491 -14.108 1.00 0.00 C ATOM 424 CD1 TYR A 41 9.932 8.852 -14.137 1.00 0.00 C ATOM 425 CD2 TYR A 41 9.221 6.870 -15.239 1.00 0.00 C ATOM 426 CE1 TYR A 41 9.681 9.579 -15.282 1.00 0.00 C ATOM 427 CE2 TYR A 41 8.970 7.596 -16.385 1.00 0.00 C ATOM 428 CZ TYR A 41 9.198 8.957 -16.416 1.00 0.00 C ATOM 429 OH TYR A 41 8.945 9.684 -17.560 1.00 0.00 O ATOM 0 H TYR A 41 9.170 8.739 -10.878 1.00 0.00 H new ATOM 0 HA TYR A 41 7.909 6.433 -12.231 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.925 7.012 -12.390 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.105 5.629 -13.087 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.310 9.351 -13.257 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.037 5.806 -15.228 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.864 10.643 -15.292 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.592 7.096 -17.264 1.00 0.00 H new ATOM 0 HH TYR A 41 8.611 9.086 -18.261 1.00 0.00 H new ATOM 439 N ILE A 42 8.788 4.938 -10.409 1.00 0.00 N ATOM 440 CA ILE A 42 9.109 4.187 -9.162 1.00 0.00 C ATOM 441 C ILE A 42 10.150 3.110 -9.432 1.00 0.00 C ATOM 442 O ILE A 42 10.152 2.494 -10.479 1.00 0.00 O ATOM 443 CB ILE A 42 7.840 3.513 -8.653 1.00 0.00 C ATOM 444 CG1 ILE A 42 7.049 2.958 -9.811 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.977 4.547 -7.934 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.839 2.196 -9.262 1.00 0.00 C ATOM 0 H ILE A 42 8.247 4.422 -11.103 1.00 0.00 H new ATOM 0 HA ILE A 42 9.503 4.887 -8.425 1.00 0.00 H new ATOM 0 HB ILE A 42 8.116 2.705 -7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.721 3.766 -10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.672 2.295 -10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.068 4.071 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.532 4.963 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.714 5.346 -8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.259 1.790 -10.090 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.181 1.381 -8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.215 2.875 -8.680 1.00 0.00 H new ATOM 458 N ASN A 43 11.022 2.899 -8.479 1.00 0.00 N ATOM 459 CA ASN A 43 12.068 1.865 -8.668 1.00 0.00 C ATOM 460 C ASN A 43 11.597 0.517 -8.132 1.00 0.00 C ATOM 461 O ASN A 43 10.674 0.446 -7.344 1.00 0.00 O ATOM 462 CB ASN A 43 13.336 2.295 -7.905 1.00 0.00 C ATOM 463 CG ASN A 43 13.047 2.340 -6.405 1.00 0.00 C ATOM 464 OD1 ASN A 43 11.938 2.128 -5.968 1.00 0.00 O ATOM 465 ND2 ASN A 43 14.023 2.612 -5.582 1.00 0.00 N ATOM 0 H ASN A 43 11.051 3.396 -7.589 1.00 0.00 H new ATOM 0 HA ASN A 43 12.277 1.764 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.148 1.596 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.665 3.275 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.849 2.645 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.960 2.792 -5.943 1.00 0.00 H new ATOM 472 N CYS A 44 12.231 -0.529 -8.578 1.00 0.00 N ATOM 473 CA CYS A 44 11.833 -1.877 -8.105 1.00 0.00 C ATOM 474 C CYS A 44 11.795 -1.936 -6.583 1.00 0.00 C ATOM 475 O CYS A 44 11.023 -2.676 -6.009 1.00 0.00 O ATOM 476 CB CYS A 44 12.864 -2.893 -8.617 1.00 0.00 C ATOM 477 SG CYS A 44 14.485 -2.914 -7.810 1.00 0.00 S ATOM 0 H CYS A 44 13.002 -0.508 -9.245 1.00 0.00 H new ATOM 0 HA CYS A 44 10.836 -2.104 -8.483 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.430 -3.889 -8.526 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.019 -2.709 -9.680 1.00 0.00 H new ATOM 0 HG CYS A 44 15.231 -3.827 -8.358 1.00 0.00 H new ATOM 483 N ARG A 45 12.630 -1.156 -5.953 1.00 0.00 N ATOM 484 CA ARG A 45 12.648 -1.161 -4.469 1.00 0.00 C ATOM 485 C ARG A 45 11.362 -0.570 -3.911 1.00 0.00 C ATOM 486 O ARG A 45 10.827 -1.057 -2.936 1.00 0.00 O ATOM 487 CB ARG A 45 13.835 -0.312 -3.995 1.00 0.00 C ATOM 488 CG ARG A 45 15.119 -1.124 -4.156 1.00 0.00 C ATOM 489 CD ARG A 45 16.267 -0.398 -3.453 1.00 0.00 C ATOM 490 NE ARG A 45 16.097 -0.537 -1.980 1.00 0.00 N ATOM 491 CZ ARG A 45 16.645 0.341 -1.187 1.00 0.00 C ATOM 492 NH1 ARG A 45 17.597 1.103 -1.653 1.00 0.00 N ATOM 493 NH2 ARG A 45 16.222 0.430 0.044 1.00 0.00 N ATOM 0 H ARG A 45 13.293 -0.522 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 45 12.739 -2.188 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.896 0.609 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.700 -0.023 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.989 -2.120 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.350 -1.256 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.224 -0.818 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.275 0.655 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 45 15.557 -1.312 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.900 1.006 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.038 1.796 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.474 -0.181 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.639 1.111 0.679 1.00 0.00 H new ATOM 507 N ASP A 46 10.886 0.473 -4.536 1.00 0.00 N ATOM 508 CA ASP A 46 9.637 1.094 -4.042 1.00 0.00 C ATOM 509 C ASP A 46 8.466 0.139 -4.220 1.00 0.00 C ATOM 510 O ASP A 46 7.682 -0.055 -3.312 1.00 0.00 O ATOM 511 CB ASP A 46 9.368 2.378 -4.848 1.00 0.00 C ATOM 512 CG ASP A 46 8.083 3.034 -4.341 1.00 0.00 C ATOM 513 OD1 ASP A 46 7.741 2.750 -3.205 1.00 0.00 O ATOM 514 OD2 ASP A 46 7.519 3.787 -5.117 1.00 0.00 O ATOM 0 H ASP A 46 11.305 0.913 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 46 9.746 1.326 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.206 3.067 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.276 2.143 -5.908 1.00 0.00 H new ATOM 519 N LEU A 47 8.362 -0.445 -5.388 1.00 0.00 N ATOM 520 CA LEU A 47 7.243 -1.387 -5.619 1.00 0.00 C ATOM 521 C LEU A 47 7.219 -2.457 -4.554 1.00 0.00 C ATOM 522 O LEU A 47 6.169 -2.827 -4.091 1.00 0.00 O ATOM 523 CB LEU A 47 7.424 -2.057 -6.986 1.00 0.00 C ATOM 524 CG LEU A 47 6.770 -1.184 -8.054 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.768 -0.127 -8.499 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.372 -2.035 -9.244 1.00 0.00 C ATOM 0 H LEU A 47 8.996 -0.309 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 47 6.306 -0.831 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.484 -2.189 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.973 -3.049 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 47 5.878 -0.709 -7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.313 0.504 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.054 0.486 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.653 -0.612 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.906 -1.405 -10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.258 -2.512 -9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.665 -2.801 -8.924 1.00 0.00 H new ATOM 538 N GLY A 48 8.375 -2.952 -4.190 1.00 0.00 N ATOM 539 CA GLY A 48 8.402 -4.006 -3.142 1.00 0.00 C ATOM 540 C GLY A 48 7.461 -3.599 -2.016 1.00 0.00 C ATOM 541 O GLY A 48 6.742 -4.415 -1.466 1.00 0.00 O ATOM 0 H GLY A 48 9.282 -2.676 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.097 -4.964 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.415 -4.134 -2.760 1.00 0.00 H new ATOM 545 N ASN A 49 7.479 -2.333 -1.706 1.00 0.00 N ATOM 546 CA ASN A 49 6.598 -1.840 -0.630 1.00 0.00 C ATOM 547 C ASN A 49 5.167 -1.730 -1.146 1.00 0.00 C ATOM 548 O ASN A 49 4.219 -1.968 -0.419 1.00 0.00 O ATOM 549 CB ASN A 49 7.088 -0.448 -0.198 1.00 0.00 C ATOM 550 CG ASN A 49 6.490 -0.103 1.166 1.00 0.00 C ATOM 551 OD1 ASN A 49 7.012 0.716 1.896 1.00 0.00 O ATOM 552 ND2 ASN A 49 5.397 -0.703 1.547 1.00 0.00 N ATOM 0 H ASN A 49 8.065 -1.627 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 49 6.622 -2.530 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.177 -0.433 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.795 0.299 -0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.984 -0.484 2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.954 -1.391 0.938 1.00 0.00 H new ATOM 559 N CYS A 50 5.034 -1.379 -2.405 1.00 0.00 N ATOM 560 CA CYS A 50 3.677 -1.251 -2.979 1.00 0.00 C ATOM 561 C CYS A 50 3.102 -2.627 -3.244 1.00 0.00 C ATOM 562 O CYS A 50 1.914 -2.844 -3.119 1.00 0.00 O ATOM 563 CB CYS A 50 3.773 -0.481 -4.306 1.00 0.00 C ATOM 564 SG CYS A 50 2.247 0.241 -4.957 1.00 0.00 S ATOM 0 H CYS A 50 5.803 -1.180 -3.045 1.00 0.00 H new ATOM 0 HA CYS A 50 3.031 -0.720 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.499 0.322 -4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.175 -1.157 -5.060 1.00 0.00 H new ATOM 0 HG CYS A 50 1.812 1.150 -4.135 1.00 0.00 H new ATOM 570 N MET A 51 3.960 -3.538 -3.610 1.00 0.00 N ATOM 571 CA MET A 51 3.490 -4.901 -3.885 1.00 0.00 C ATOM 572 C MET A 51 2.925 -5.497 -2.612 1.00 0.00 C ATOM 573 O MET A 51 1.946 -6.211 -2.636 1.00 0.00 O ATOM 574 CB MET A 51 4.685 -5.744 -4.358 1.00 0.00 C ATOM 575 CG MET A 51 5.211 -5.178 -5.686 1.00 0.00 C ATOM 576 SD MET A 51 5.044 -6.220 -7.159 1.00 0.00 S ATOM 577 CE MET A 51 3.843 -5.188 -8.038 1.00 0.00 C ATOM 0 H MET A 51 4.962 -3.387 -3.727 1.00 0.00 H new ATOM 0 HA MET A 51 2.717 -4.887 -4.653 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.474 -5.732 -3.606 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.383 -6.784 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.696 -4.237 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.268 -4.943 -5.557 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.845 -5.449 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.848 -5.355 -7.625 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.112 -4.138 -7.922 1.00 0.00 H new ATOM 587 N ARG A 52 3.565 -5.190 -1.509 1.00 0.00 N ATOM 588 CA ARG A 52 3.080 -5.726 -0.221 1.00 0.00 C ATOM 589 C ARG A 52 1.757 -5.081 0.123 1.00 0.00 C ATOM 590 O ARG A 52 0.893 -5.695 0.714 1.00 0.00 O ATOM 591 CB ARG A 52 4.105 -5.381 0.872 1.00 0.00 C ATOM 592 CG ARG A 52 3.749 -6.137 2.153 1.00 0.00 C ATOM 593 CD ARG A 52 4.240 -5.336 3.360 1.00 0.00 C ATOM 594 NE ARG A 52 4.503 -6.274 4.487 1.00 0.00 N ATOM 595 CZ ARG A 52 3.977 -6.035 5.658 1.00 0.00 C ATOM 596 NH1 ARG A 52 2.833 -5.410 5.720 1.00 0.00 N ATOM 597 NH2 ARG A 52 4.614 -6.429 6.727 1.00 0.00 N ATOM 0 H ARG A 52 4.393 -4.597 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 52 2.952 -6.806 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.109 -5.650 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.108 -4.307 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.671 -6.286 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.208 -7.126 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.148 -4.789 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.493 -4.597 3.651 1.00 0.00 H new ATOM 0 HE ARG A 52 5.089 -7.096 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.365 -5.117 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.407 -5.215 6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.507 -6.914 6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.219 -6.251 7.651 1.00 0.00 H new ATOM 611 N THR A 53 1.625 -3.845 -0.259 1.00 0.00 N ATOM 612 CA THR A 53 0.371 -3.128 0.027 1.00 0.00 C ATOM 613 C THR A 53 -0.751 -3.663 -0.856 1.00 0.00 C ATOM 614 O THR A 53 -1.910 -3.603 -0.496 1.00 0.00 O ATOM 615 CB THR A 53 0.596 -1.645 -0.284 1.00 0.00 C ATOM 616 OG1 THR A 53 1.106 -1.089 0.909 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.737 -0.921 -0.508 1.00 0.00 C ATOM 0 H THR A 53 2.334 -3.306 -0.756 1.00 0.00 H new ATOM 0 HA THR A 53 0.090 -3.267 1.071 1.00 0.00 H new ATOM 0 HB THR A 53 1.234 -1.546 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.276 -0.133 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.548 0.130 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.263 -1.378 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.349 -1.000 0.390 1.00 0.00 H new ATOM 625 N MET A 54 -0.373 -4.185 -2.002 1.00 0.00 N ATOM 626 CA MET A 54 -1.381 -4.736 -2.940 1.00 0.00 C ATOM 627 C MET A 54 -1.337 -6.262 -2.941 1.00 0.00 C ATOM 628 O MET A 54 -2.163 -6.909 -3.553 1.00 0.00 O ATOM 629 CB MET A 54 -1.037 -4.236 -4.349 1.00 0.00 C ATOM 630 CG MET A 54 -2.289 -4.285 -5.220 1.00 0.00 C ATOM 631 SD MET A 54 -3.742 -3.374 -4.645 1.00 0.00 S ATOM 632 CE MET A 54 -4.755 -4.810 -4.212 1.00 0.00 C ATOM 0 H MET A 54 0.594 -4.249 -2.320 1.00 0.00 H new ATOM 0 HA MET A 54 -2.376 -4.414 -2.634 1.00 0.00 H new ATOM 0 HB2 MET A 54 -0.652 -3.217 -4.302 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.252 -4.854 -4.785 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.026 -3.909 -6.209 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.574 -5.330 -5.342 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.718 -4.473 -3.827 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.913 -5.424 -5.098 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.245 -5.398 -3.449 1.00 0.00 H new ATOM 642 N GLY A 55 -0.365 -6.804 -2.253 1.00 0.00 N ATOM 643 CA GLY A 55 -0.232 -8.290 -2.189 1.00 0.00 C ATOM 644 C GLY A 55 0.084 -8.715 -0.758 1.00 0.00 C ATOM 645 O GLY A 55 1.098 -9.332 -0.498 1.00 0.00 O ATOM 0 H GLY A 55 0.341 -6.283 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.155 -8.763 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.559 -8.624 -2.861 1.00 0.00 H new ATOM 649 N TYR A 56 -0.798 -8.361 0.138 1.00 0.00 N ATOM 650 CA TYR A 56 -0.605 -8.716 1.571 1.00 0.00 C ATOM 651 C TYR A 56 0.082 -10.073 1.746 1.00 0.00 C ATOM 652 O TYR A 56 -0.398 -11.084 1.276 1.00 0.00 O ATOM 653 CB TYR A 56 -1.989 -8.778 2.237 1.00 0.00 C ATOM 654 CG TYR A 56 -2.667 -7.409 2.128 1.00 0.00 C ATOM 655 CD1 TYR A 56 -3.331 -7.045 0.974 1.00 0.00 C ATOM 656 CD2 TYR A 56 -2.624 -6.520 3.183 1.00 0.00 C ATOM 657 CE1 TYR A 56 -3.942 -5.810 0.878 1.00 0.00 C ATOM 658 CE2 TYR A 56 -3.235 -5.286 3.087 1.00 0.00 C ATOM 659 CZ TYR A 56 -3.899 -4.922 1.933 1.00 0.00 C ATOM 660 OH TYR A 56 -4.512 -3.689 1.837 1.00 0.00 O ATOM 0 H TYR A 56 -1.650 -7.837 -0.064 1.00 0.00 H new ATOM 0 HA TYR A 56 0.034 -7.960 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.603 -9.540 1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.889 -9.064 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.373 -7.730 0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.108 -6.792 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.458 -5.537 -0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.193 -4.601 3.921 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.383 -3.194 2.673 1.00 0.00 H new ATOM 670 N MET A 57 1.203 -10.053 2.420 1.00 0.00 N ATOM 671 CA MET A 57 1.959 -11.315 2.656 1.00 0.00 C ATOM 672 C MET A 57 2.462 -11.949 1.352 1.00 0.00 C ATOM 673 O MET A 57 2.099 -13.059 1.012 1.00 0.00 O ATOM 674 CB MET A 57 1.017 -12.308 3.363 1.00 0.00 C ATOM 675 CG MET A 57 1.850 -13.309 4.164 1.00 0.00 C ATOM 676 SD MET A 57 2.787 -14.545 3.232 1.00 0.00 S ATOM 677 CE MET A 57 2.610 -15.901 4.416 1.00 0.00 C ATOM 0 H MET A 57 1.627 -9.214 2.817 1.00 0.00 H new ATOM 0 HA MET A 57 2.834 -11.082 3.263 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.335 -11.773 4.024 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.404 -12.832 2.629 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.553 -12.747 4.779 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.181 -13.836 4.845 1.00 0.00 H new ATOM 0 HE1 MET A 57 3.123 -16.785 4.037 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.047 -15.610 5.371 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.553 -16.127 4.555 1.00 0.00 H new ATOM 687 N PRO A 58 3.302 -11.223 0.651 1.00 0.00 N ATOM 688 CA PRO A 58 3.868 -11.694 -0.611 1.00 0.00 C ATOM 689 C PRO A 58 5.009 -12.667 -0.333 1.00 0.00 C ATOM 690 O PRO A 58 5.004 -13.367 0.660 1.00 0.00 O ATOM 691 CB PRO A 58 4.443 -10.419 -1.261 1.00 0.00 C ATOM 692 CG PRO A 58 4.618 -9.391 -0.116 1.00 0.00 C ATOM 693 CD PRO A 58 3.730 -9.877 1.054 1.00 0.00 C ATOM 0 HA PRO A 58 3.135 -12.205 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.396 -10.626 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.770 -10.036 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.662 -9.327 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.319 -8.394 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.285 -9.900 1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.876 -9.217 1.206 1.00 0.00 H new ATOM 701 N THR A 59 5.963 -12.694 -1.213 1.00 0.00 N ATOM 702 CA THR A 59 7.101 -13.598 -1.018 1.00 0.00 C ATOM 703 C THR A 59 8.196 -12.897 -0.237 1.00 0.00 C ATOM 704 O THR A 59 8.061 -12.617 0.937 1.00 0.00 O ATOM 705 CB THR A 59 7.646 -13.969 -2.396 1.00 0.00 C ATOM 706 OG1 THR A 59 6.719 -14.892 -2.931 1.00 0.00 O ATOM 707 CG2 THR A 59 8.950 -14.758 -2.268 1.00 0.00 C ATOM 0 H THR A 59 5.996 -12.124 -2.058 1.00 0.00 H new ATOM 0 HA THR A 59 6.781 -14.483 -0.468 1.00 0.00 H new ATOM 0 HB THR A 59 7.802 -13.067 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.145 -15.405 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.321 -15.012 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.692 -14.152 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.768 -15.673 -1.704 1.00 0.00 H new ATOM 715 N GLU A 60 9.249 -12.636 -0.915 1.00 0.00 N ATOM 716 CA GLU A 60 10.408 -11.949 -0.289 1.00 0.00 C ATOM 717 C GLU A 60 11.424 -11.612 -1.365 1.00 0.00 C ATOM 718 O GLU A 60 12.484 -11.080 -1.097 1.00 0.00 O ATOM 719 CB GLU A 60 11.052 -12.899 0.737 1.00 0.00 C ATOM 720 CG GLU A 60 11.268 -12.145 2.052 1.00 0.00 C ATOM 721 CD GLU A 60 9.914 -11.703 2.613 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.278 -12.547 3.221 1.00 0.00 O ATOM 723 OE2 GLU A 60 9.592 -10.545 2.401 1.00 0.00 O ATOM 0 H GLU A 60 9.372 -12.870 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 60 10.080 -11.035 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.411 -13.765 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.003 -13.273 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.781 -12.784 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.906 -11.277 1.886 1.00 0.00 H new ATOM 730 N MET A 61 11.061 -11.937 -2.568 1.00 0.00 N ATOM 731 CA MET A 61 11.946 -11.672 -3.719 1.00 0.00 C ATOM 732 C MET A 61 11.139 -11.774 -5.002 1.00 0.00 C ATOM 733 O MET A 61 11.615 -11.462 -6.072 1.00 0.00 O ATOM 734 CB MET A 61 13.065 -12.728 -3.736 1.00 0.00 C ATOM 735 CG MET A 61 12.554 -13.994 -4.428 1.00 0.00 C ATOM 736 SD MET A 61 13.517 -15.511 -4.201 1.00 0.00 S ATOM 737 CE MET A 61 14.933 -15.036 -5.224 1.00 0.00 C ATOM 0 H MET A 61 10.174 -12.382 -2.803 1.00 0.00 H new ATOM 0 HA MET A 61 12.378 -10.674 -3.638 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.939 -12.341 -4.260 1.00 0.00 H new ATOM 0 HB3 MET A 61 13.380 -12.958 -2.718 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.539 -14.183 -4.078 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.490 -13.792 -5.497 1.00 0.00 H new ATOM 0 HE1 MET A 61 15.667 -15.842 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.598 -14.847 -6.244 1.00 0.00 H new ATOM 0 HE3 MET A 61 15.388 -14.132 -4.818 1.00 0.00 H new ATOM 747 N GLU A 62 9.922 -12.237 -4.868 1.00 0.00 N ATOM 748 CA GLU A 62 9.062 -12.369 -6.063 1.00 0.00 C ATOM 749 C GLU A 62 8.801 -11.004 -6.670 1.00 0.00 C ATOM 750 O GLU A 62 8.920 -10.822 -7.869 1.00 0.00 O ATOM 751 CB GLU A 62 7.722 -12.994 -5.638 1.00 0.00 C ATOM 752 CG GLU A 62 6.901 -13.320 -6.886 1.00 0.00 C ATOM 753 CD GLU A 62 5.980 -14.507 -6.592 1.00 0.00 C ATOM 754 OE1 GLU A 62 6.526 -15.583 -6.408 1.00 0.00 O ATOM 755 OE2 GLU A 62 4.784 -14.271 -6.564 1.00 0.00 O ATOM 0 H GLU A 62 9.497 -12.525 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 62 9.560 -12.998 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.897 -13.899 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.173 -12.305 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.311 -12.453 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.563 -13.557 -7.719 1.00 0.00 H new ATOM 762 N LEU A 63 8.437 -10.064 -5.831 1.00 0.00 N ATOM 763 CA LEU A 63 8.168 -8.702 -6.343 1.00 0.00 C ATOM 764 C LEU A 63 9.251 -8.317 -7.325 1.00 0.00 C ATOM 765 O LEU A 63 8.997 -7.684 -8.330 1.00 0.00 O ATOM 766 CB LEU A 63 8.196 -7.720 -5.156 1.00 0.00 C ATOM 767 CG LEU A 63 9.277 -8.168 -4.153 1.00 0.00 C ATOM 768 CD1 LEU A 63 10.125 -6.962 -3.726 1.00 0.00 C ATOM 769 CD2 LEU A 63 8.599 -8.760 -2.916 1.00 0.00 C ATOM 0 H LEU A 63 8.318 -10.188 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 63 7.197 -8.672 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.406 -6.710 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.221 -7.691 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 63 9.917 -8.914 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.887 -7.286 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.606 -6.527 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.485 -6.216 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.359 -9.079 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.961 -8.006 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.993 -9.618 -3.209 1.00 0.00 H new ATOM 781 N ILE A 64 10.450 -8.714 -7.008 1.00 0.00 N ATOM 782 CA ILE A 64 11.577 -8.406 -7.880 1.00 0.00 C ATOM 783 C ILE A 64 11.390 -9.078 -9.236 1.00 0.00 C ATOM 784 O ILE A 64 11.615 -8.477 -10.267 1.00 0.00 O ATOM 785 CB ILE A 64 12.839 -8.939 -7.176 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.795 -7.805 -6.956 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.528 -10.017 -8.041 1.00 0.00 C ATOM 788 CD1 ILE A 64 13.232 -6.902 -5.862 1.00 0.00 C ATOM 0 H ILE A 64 10.684 -9.244 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 64 11.659 -7.334 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 64 12.550 -9.382 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.774 -8.186 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.933 -7.241 -7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.418 -10.382 -7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.839 -10.845 -8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.814 -9.586 -9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.916 -6.071 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.262 -6.515 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.116 -7.474 -4.942 1.00 0.00 H new ATOM 800 N GLU A 65 10.976 -10.316 -9.210 1.00 0.00 N ATOM 801 CA GLU A 65 10.771 -11.033 -10.484 1.00 0.00 C ATOM 802 C GLU A 65 9.918 -10.194 -11.416 1.00 0.00 C ATOM 803 O GLU A 65 10.156 -10.144 -12.607 1.00 0.00 O ATOM 804 CB GLU A 65 10.043 -12.350 -10.189 1.00 0.00 C ATOM 805 CG GLU A 65 10.381 -13.366 -11.282 1.00 0.00 C ATOM 806 CD GLU A 65 9.899 -14.751 -10.851 1.00 0.00 C ATOM 807 OE1 GLU A 65 10.072 -15.045 -9.680 1.00 0.00 O ATOM 808 OE2 GLU A 65 9.384 -15.439 -11.718 1.00 0.00 O ATOM 0 H GLU A 65 10.774 -10.851 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 65 11.734 -11.226 -10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.342 -12.734 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.966 -12.184 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.907 -13.079 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.456 -13.382 -11.460 1.00 0.00 H new ATOM 815 N LEU A 66 8.931 -9.549 -10.858 1.00 0.00 N ATOM 816 CA LEU A 66 8.053 -8.707 -11.696 1.00 0.00 C ATOM 817 C LEU A 66 8.804 -7.464 -12.139 1.00 0.00 C ATOM 818 O LEU A 66 8.879 -7.155 -13.324 1.00 0.00 O ATOM 819 CB LEU A 66 6.840 -8.284 -10.853 1.00 0.00 C ATOM 820 CG LEU A 66 5.717 -9.311 -11.037 1.00 0.00 C ATOM 821 CD1 LEU A 66 6.073 -10.591 -10.278 1.00 0.00 C ATOM 822 CD2 LEU A 66 4.415 -8.739 -10.472 1.00 0.00 C ATOM 0 H LEU A 66 8.701 -9.572 -9.865 1.00 0.00 H new ATOM 0 HA LEU A 66 7.733 -9.266 -12.575 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.119 -8.216 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.498 -7.295 -11.157 1.00 0.00 H new ATOM 0 HG LEU A 66 5.594 -9.534 -12.097 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.276 -11.324 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.006 -10.997 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.190 -10.365 -9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.613 -9.465 -10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.543 -8.523 -9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.161 -7.821 -11.001 1.00 0.00 H new ATOM 834 N SER A 67 9.361 -6.771 -11.185 1.00 0.00 N ATOM 835 CA SER A 67 10.106 -5.556 -11.532 1.00 0.00 C ATOM 836 C SER A 67 11.329 -5.924 -12.348 1.00 0.00 C ATOM 837 O SER A 67 11.985 -5.072 -12.910 1.00 0.00 O ATOM 838 CB SER A 67 10.536 -4.864 -10.238 1.00 0.00 C ATOM 839 OG SER A 67 11.765 -5.492 -9.908 1.00 0.00 O ATOM 0 H SER A 67 9.327 -7.000 -10.192 1.00 0.00 H new ATOM 0 HA SER A 67 9.478 -4.887 -12.121 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.661 -3.791 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.795 -4.996 -9.449 1.00 0.00 H new ATOM 0 HG SER A 67 11.654 -6.465 -9.941 1.00 0.00 H new ATOM 845 N GLN A 68 11.626 -7.195 -12.383 1.00 0.00 N ATOM 846 CA GLN A 68 12.796 -7.640 -13.158 1.00 0.00 C ATOM 847 C GLN A 68 12.383 -7.775 -14.601 1.00 0.00 C ATOM 848 O GLN A 68 13.090 -7.365 -15.496 1.00 0.00 O ATOM 849 CB GLN A 68 13.261 -9.010 -12.636 1.00 0.00 C ATOM 850 CG GLN A 68 14.495 -9.451 -13.425 1.00 0.00 C ATOM 851 CD GLN A 68 14.531 -10.978 -13.501 1.00 0.00 C ATOM 852 OE1 GLN A 68 13.561 -11.616 -13.855 1.00 0.00 O ATOM 853 NE2 GLN A 68 15.629 -11.604 -13.176 1.00 0.00 N ATOM 0 H GLN A 68 11.106 -7.933 -11.908 1.00 0.00 H new ATOM 0 HA GLN A 68 13.609 -6.921 -13.061 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.496 -8.948 -11.573 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.463 -9.745 -12.744 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.469 -9.027 -14.429 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.400 -9.078 -12.944 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.448 -11.075 -12.878 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.668 -12.622 -13.220 1.00 0.00 H new ATOM 862 N GLN A 69 11.229 -8.354 -14.805 1.00 0.00 N ATOM 863 CA GLN A 69 10.752 -8.518 -16.184 1.00 0.00 C ATOM 864 C GLN A 69 10.783 -7.175 -16.871 1.00 0.00 C ATOM 865 O GLN A 69 11.097 -7.073 -18.041 1.00 0.00 O ATOM 866 CB GLN A 69 9.306 -9.030 -16.147 1.00 0.00 C ATOM 867 CG GLN A 69 8.881 -9.445 -17.556 1.00 0.00 C ATOM 868 CD GLN A 69 7.441 -9.950 -17.513 1.00 0.00 C ATOM 869 OE1 GLN A 69 6.502 -9.180 -17.473 1.00 0.00 O ATOM 870 NE2 GLN A 69 7.222 -11.236 -17.518 1.00 0.00 N ATOM 0 H GLN A 69 10.611 -8.713 -14.077 1.00 0.00 H new ATOM 0 HA GLN A 69 11.384 -9.225 -16.722 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.225 -9.877 -15.466 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.642 -8.253 -15.769 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.963 -8.599 -18.238 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.542 -10.225 -17.934 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.007 -11.887 -17.552 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.266 -11.591 -17.488 1.00 0.00 H new ATOM 879 N ILE A 70 10.453 -6.151 -16.122 1.00 0.00 N ATOM 880 CA ILE A 70 10.461 -4.795 -16.711 1.00 0.00 C ATOM 881 C ILE A 70 11.751 -4.574 -17.481 1.00 0.00 C ATOM 882 O ILE A 70 11.812 -3.769 -18.389 1.00 0.00 O ATOM 883 CB ILE A 70 10.404 -3.781 -15.574 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.040 -3.813 -14.915 1.00 0.00 C ATOM 885 CG2 ILE A 70 10.639 -2.376 -16.150 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.075 -2.919 -13.683 1.00 0.00 C ATOM 0 H ILE A 70 10.183 -6.203 -15.140 1.00 0.00 H new ATOM 0 HA ILE A 70 9.610 -4.683 -17.383 1.00 0.00 H new ATOM 0 HB ILE A 70 11.168 -4.026 -14.836 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.275 -3.468 -15.611 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.779 -4.834 -14.635 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.600 -1.642 -15.345 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.617 -2.338 -16.629 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.866 -2.150 -16.885 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.100 -2.931 -13.197 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.831 -3.286 -12.989 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.319 -1.899 -13.980 1.00 0.00 H new ATOM 898 N ASN A 71 12.766 -5.299 -17.088 1.00 0.00 N ATOM 899 CA ASN A 71 14.075 -5.166 -17.764 1.00 0.00 C ATOM 900 C ASN A 71 13.914 -5.174 -19.282 1.00 0.00 C ATOM 901 O ASN A 71 14.840 -4.874 -20.008 1.00 0.00 O ATOM 902 CB ASN A 71 14.952 -6.358 -17.346 1.00 0.00 C ATOM 903 CG ASN A 71 16.194 -6.410 -18.242 1.00 0.00 C ATOM 904 OD1 ASN A 71 16.178 -6.990 -19.310 1.00 0.00 O ATOM 905 ND2 ASN A 71 17.288 -5.818 -17.845 1.00 0.00 N ATOM 0 H ASN A 71 12.737 -5.977 -16.326 1.00 0.00 H new ATOM 0 HA ASN A 71 14.532 -4.219 -17.475 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.247 -6.259 -16.301 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.388 -7.287 -17.432 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.123 -5.844 -18.430 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.308 -5.330 -16.950 1.00 0.00 H new ATOM 912 N MET A 72 12.738 -5.521 -19.735 1.00 0.00 N ATOM 913 CA MET A 72 12.503 -5.551 -21.195 1.00 0.00 C ATOM 914 C MET A 72 12.273 -4.142 -21.721 1.00 0.00 C ATOM 915 O MET A 72 12.480 -3.868 -22.886 1.00 0.00 O ATOM 916 CB MET A 72 11.241 -6.388 -21.472 1.00 0.00 C ATOM 917 CG MET A 72 11.558 -7.867 -21.265 1.00 0.00 C ATOM 918 SD MET A 72 10.225 -8.919 -20.638 1.00 0.00 S ATOM 919 CE MET A 72 8.866 -8.110 -21.518 1.00 0.00 C ATOM 0 H MET A 72 11.940 -5.782 -19.156 1.00 0.00 H new ATOM 0 HA MET A 72 13.373 -5.983 -21.690 1.00 0.00 H new ATOM 0 HB2 MET A 72 10.434 -6.081 -20.806 1.00 0.00 H new ATOM 0 HB3 MET A 72 10.895 -6.218 -22.492 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.892 -8.277 -22.218 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.398 -7.939 -20.574 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.013 -8.786 -21.570 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.578 -7.202 -20.987 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.188 -7.854 -22.527 1.00 0.00 H new ATOM 929 N ASN A 73 11.847 -3.270 -20.839 1.00 0.00 N ATOM 930 CA ASN A 73 11.589 -1.866 -21.247 1.00 0.00 C ATOM 931 C ASN A 73 12.719 -0.947 -20.799 1.00 0.00 C ATOM 932 O ASN A 73 13.573 -0.581 -21.583 1.00 0.00 O ATOM 933 CB ASN A 73 10.288 -1.407 -20.566 1.00 0.00 C ATOM 934 CG ASN A 73 9.109 -1.647 -21.509 1.00 0.00 C ATOM 935 OD1 ASN A 73 8.413 -2.638 -21.410 1.00 0.00 O ATOM 936 ND2 ASN A 73 8.848 -0.767 -22.436 1.00 0.00 N ATOM 0 H ASN A 73 11.669 -3.476 -19.856 1.00 0.00 H new ATOM 0 HA ASN A 73 11.514 -1.818 -22.333 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.140 -1.953 -19.635 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.353 -0.350 -20.309 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.064 -0.913 -23.072 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.428 0.067 -22.525 1.00 0.00 H new ATOM 943 N LEU A 74 12.699 -0.593 -19.540 1.00 0.00 N ATOM 944 CA LEU A 74 13.754 0.301 -19.009 1.00 0.00 C ATOM 945 C LEU A 74 14.828 -0.487 -18.279 1.00 0.00 C ATOM 946 O LEU A 74 15.843 -0.836 -18.850 1.00 0.00 O ATOM 947 CB LEU A 74 13.100 1.266 -18.018 1.00 0.00 C ATOM 948 CG LEU A 74 12.783 2.572 -18.734 1.00 0.00 C ATOM 949 CD1 LEU A 74 11.647 3.283 -18.001 1.00 0.00 C ATOM 950 CD2 LEU A 74 14.026 3.462 -18.726 1.00 0.00 C ATOM 0 H LEU A 74 11.996 -0.887 -18.862 1.00 0.00 H new ATOM 0 HA LEU A 74 14.221 0.831 -19.839 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.188 0.828 -17.612 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.767 1.451 -17.176 1.00 0.00 H new ATOM 0 HG LEU A 74 12.484 2.368 -19.762 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.416 4.219 -18.509 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.763 2.645 -17.995 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.951 3.493 -16.975 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.806 4.399 -19.237 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.318 3.670 -17.697 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.842 2.952 -19.238 1.00 0.00 H new ATOM 962 N GLY A 75 14.587 -0.751 -17.023 1.00 0.00 N ATOM 963 CA GLY A 75 15.588 -1.519 -16.231 1.00 0.00 C ATOM 964 C GLY A 75 15.546 -1.100 -14.760 1.00 0.00 C ATOM 965 O GLY A 75 16.313 -0.261 -14.329 1.00 0.00 O ATOM 0 H GLY A 75 13.748 -0.471 -16.515 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.386 -2.587 -16.317 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.586 -1.350 -16.635 1.00 0.00 H new ATOM 969 N GLY A 76 14.647 -1.691 -14.020 1.00 0.00 N ATOM 970 CA GLY A 76 14.545 -1.335 -12.570 1.00 0.00 C ATOM 971 C GLY A 76 13.731 -0.049 -12.388 1.00 0.00 C ATOM 972 O GLY A 76 13.856 0.634 -11.391 1.00 0.00 O ATOM 0 H GLY A 76 13.986 -2.395 -14.348 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.074 -2.151 -12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.543 -1.203 -12.151 1.00 0.00 H new ATOM 976 N HIS A 77 12.916 0.251 -13.358 1.00 0.00 N ATOM 977 CA HIS A 77 12.087 1.480 -13.269 1.00 0.00 C ATOM 978 C HIS A 77 10.794 1.285 -14.037 1.00 0.00 C ATOM 979 O HIS A 77 10.801 0.718 -15.112 1.00 0.00 O ATOM 980 CB HIS A 77 12.871 2.648 -13.888 1.00 0.00 C ATOM 981 CG HIS A 77 13.202 3.665 -12.794 1.00 0.00 C ATOM 982 ND1 HIS A 77 12.363 4.197 -12.036 1.00 0.00 N ATOM 983 CD2 HIS A 77 14.423 4.190 -12.417 1.00 0.00 C ATOM 984 CE1 HIS A 77 12.914 4.997 -11.221 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.236 5.061 -11.388 1.00 0.00 N ATOM 0 H HIS A 77 12.789 -0.301 -14.206 1.00 0.00 H new ATOM 0 HA HIS A 77 11.855 1.691 -12.225 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.788 2.282 -14.351 1.00 0.00 H new ATOM 0 HB3 HIS A 77 12.283 3.120 -14.675 1.00 0.00 H new ATOM 0 HD2 HIS A 77 15.374 3.948 -12.867 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.374 5.563 -10.476 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.924 5.616 -10.879 1.00 0.00 H new ATOM 993 N VAL A 78 9.702 1.756 -13.477 1.00 0.00 N ATOM 994 CA VAL A 78 8.411 1.598 -14.173 1.00 0.00 C ATOM 995 C VAL A 78 7.578 2.866 -14.156 1.00 0.00 C ATOM 996 O VAL A 78 7.628 3.654 -13.227 1.00 0.00 O ATOM 997 CB VAL A 78 7.619 0.473 -13.452 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.451 -0.076 -12.308 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.305 1.019 -12.873 1.00 0.00 C ATOM 0 H VAL A 78 9.662 2.236 -12.578 1.00 0.00 H new ATOM 0 HA VAL A 78 8.613 1.357 -15.217 1.00 0.00 H new ATOM 0 HB VAL A 78 7.398 -0.309 -14.178 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.896 -0.866 -11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.384 -0.481 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.671 0.724 -11.601 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.766 0.215 -12.372 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.524 1.810 -12.156 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.691 1.420 -13.679 1.00 0.00 H new ATOM 1009 N ASP A 79 6.825 3.019 -15.204 1.00 0.00 N ATOM 1010 CA ASP A 79 5.950 4.189 -15.340 1.00 0.00 C ATOM 1011 C ASP A 79 4.537 3.706 -15.116 1.00 0.00 C ATOM 1012 O ASP A 79 4.293 2.518 -15.183 1.00 0.00 O ATOM 1013 CB ASP A 79 6.075 4.749 -16.765 1.00 0.00 C ATOM 1014 CG ASP A 79 5.047 5.864 -16.961 1.00 0.00 C ATOM 1015 OD1 ASP A 79 5.367 6.972 -16.561 1.00 0.00 O ATOM 1016 OD2 ASP A 79 3.998 5.546 -17.498 1.00 0.00 O ATOM 0 H ASP A 79 6.785 2.363 -15.984 1.00 0.00 H new ATOM 0 HA ASP A 79 6.218 4.970 -14.628 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.082 5.133 -16.930 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.913 3.956 -17.495 1.00 0.00 H new ATOM 1021 N PHE A 80 3.628 4.586 -14.832 1.00 0.00 N ATOM 1022 CA PHE A 80 2.248 4.103 -14.613 1.00 0.00 C ATOM 1023 C PHE A 80 1.835 3.117 -15.704 1.00 0.00 C ATOM 1024 O PHE A 80 0.842 2.427 -15.576 1.00 0.00 O ATOM 1025 CB PHE A 80 1.279 5.282 -14.609 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.010 4.818 -13.940 1.00 0.00 C ATOM 1027 CD1 PHE A 80 0.010 4.347 -12.638 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.203 4.810 -14.638 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.138 3.873 -12.050 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.353 4.334 -14.046 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.320 3.867 -12.752 1.00 0.00 C ATOM 0 H PHE A 80 3.774 5.592 -14.744 1.00 0.00 H new ATOM 0 HA PHE A 80 2.216 3.594 -13.649 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.707 6.127 -14.070 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.082 5.619 -15.627 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.935 4.352 -12.080 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.234 5.179 -15.653 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.112 3.505 -11.035 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.281 4.328 -14.598 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.222 3.496 -12.288 1.00 0.00 H new ATOM 1041 N ASP A 81 2.605 3.066 -16.760 1.00 0.00 N ATOM 1042 CA ASP A 81 2.270 2.133 -17.856 1.00 0.00 C ATOM 1043 C ASP A 81 2.800 0.737 -17.531 1.00 0.00 C ATOM 1044 O ASP A 81 2.058 -0.221 -17.548 1.00 0.00 O ATOM 1045 CB ASP A 81 2.930 2.636 -19.153 1.00 0.00 C ATOM 1046 CG ASP A 81 2.498 1.746 -20.322 1.00 0.00 C ATOM 1047 OD1 ASP A 81 1.485 2.082 -20.913 1.00 0.00 O ATOM 1048 OD2 ASP A 81 3.208 0.783 -20.560 1.00 0.00 O ATOM 0 H ASP A 81 3.444 3.629 -16.903 1.00 0.00 H new ATOM 0 HA ASP A 81 1.188 2.085 -17.977 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.642 3.670 -19.343 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.015 2.621 -19.052 1.00 0.00 H new ATOM 1053 N ASP A 82 4.078 0.645 -17.224 1.00 0.00 N ATOM 1054 CA ASP A 82 4.647 -0.682 -16.898 1.00 0.00 C ATOM 1055 C ASP A 82 4.017 -1.183 -15.616 1.00 0.00 C ATOM 1056 O ASP A 82 3.862 -2.364 -15.406 1.00 0.00 O ATOM 1057 CB ASP A 82 6.160 -0.525 -16.689 1.00 0.00 C ATOM 1058 CG ASP A 82 6.820 -0.167 -18.022 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.874 1.021 -18.297 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.233 -1.101 -18.689 1.00 0.00 O ATOM 0 H ASP A 82 4.733 1.426 -17.189 1.00 0.00 H new ATOM 0 HA ASP A 82 4.452 -1.388 -17.705 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.358 0.253 -15.952 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.583 -1.450 -16.298 1.00 0.00 H new ATOM 1065 N PHE A 83 3.664 -0.246 -14.786 1.00 0.00 N ATOM 1066 CA PHE A 83 3.032 -0.579 -13.492 1.00 0.00 C ATOM 1067 C PHE A 83 1.688 -1.239 -13.749 1.00 0.00 C ATOM 1068 O PHE A 83 1.375 -2.283 -13.196 1.00 0.00 O ATOM 1069 CB PHE A 83 2.839 0.771 -12.773 1.00 0.00 C ATOM 1070 CG PHE A 83 2.193 0.626 -11.396 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.960 0.282 -10.292 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.875 1.007 -11.202 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.418 0.336 -9.021 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.339 1.059 -9.932 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.109 0.729 -8.843 1.00 0.00 C ATOM 0 H PHE A 83 3.791 0.752 -14.956 1.00 0.00 H new ATOM 0 HA PHE A 83 3.632 -1.266 -12.896 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.807 1.260 -12.665 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.221 1.421 -13.392 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.985 -0.029 -10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.262 1.266 -12.053 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.022 0.070 -8.166 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.689 1.360 -9.793 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.689 0.777 -7.849 1.00 0.00 H new ATOM 1085 N VAL A 84 0.926 -0.623 -14.604 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.400 -1.174 -14.933 1.00 0.00 C ATOM 1087 C VAL A 84 -0.237 -2.398 -15.825 1.00 0.00 C ATOM 1088 O VAL A 84 -1.029 -3.322 -15.779 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.181 -0.096 -15.710 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.224 -0.766 -16.603 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -1.887 0.833 -14.724 1.00 0.00 C ATOM 0 H VAL A 84 1.171 0.241 -15.087 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.926 -1.458 -14.022 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.488 0.479 -16.324 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.776 -0.004 -17.152 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.726 -1.432 -17.308 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.915 -1.341 -15.987 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.439 1.595 -15.274 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.579 0.255 -14.111 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.148 1.313 -14.083 1.00 0.00 H new ATOM 1101 N GLU A 85 0.803 -2.380 -16.618 1.00 0.00 N ATOM 1102 CA GLU A 85 1.051 -3.521 -17.527 1.00 0.00 C ATOM 1103 C GLU A 85 1.604 -4.727 -16.776 1.00 0.00 C ATOM 1104 O GLU A 85 1.629 -5.811 -17.307 1.00 0.00 O ATOM 1105 CB GLU A 85 2.078 -3.086 -18.586 1.00 0.00 C ATOM 1106 CG GLU A 85 2.031 -4.059 -19.763 1.00 0.00 C ATOM 1107 CD GLU A 85 2.793 -3.457 -20.944 1.00 0.00 C ATOM 1108 OE1 GLU A 85 2.494 -2.315 -21.255 1.00 0.00 O ATOM 1109 OE2 GLU A 85 3.630 -4.171 -21.469 1.00 0.00 O ATOM 0 H GLU A 85 1.485 -1.624 -16.670 1.00 0.00 H new ATOM 0 HA GLU A 85 0.105 -3.809 -17.986 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.860 -2.074 -18.927 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.078 -3.068 -18.154 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.473 -5.014 -19.479 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.997 -4.257 -20.045 1.00 0.00 H new ATOM 1116 N LEU A 86 2.057 -4.522 -15.561 1.00 0.00 N ATOM 1117 CA LEU A 86 2.602 -5.677 -14.797 1.00 0.00 C ATOM 1118 C LEU A 86 1.503 -6.330 -13.971 1.00 0.00 C ATOM 1119 O LEU A 86 1.476 -7.532 -13.805 1.00 0.00 O ATOM 1120 CB LEU A 86 3.706 -5.175 -13.847 1.00 0.00 C ATOM 1121 CG LEU A 86 5.061 -5.718 -14.317 1.00 0.00 C ATOM 1122 CD1 LEU A 86 4.995 -7.248 -14.396 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.382 -5.150 -15.703 1.00 0.00 C ATOM 0 H LEU A 86 2.071 -3.624 -15.078 1.00 0.00 H new ATOM 0 HA LEU A 86 3.005 -6.407 -15.498 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.723 -4.085 -13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.503 -5.504 -12.828 1.00 0.00 H new ATOM 0 HG LEU A 86 5.838 -5.422 -13.613 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.957 -7.637 -14.730 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.762 -7.653 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.219 -7.543 -15.103 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.345 -5.534 -16.040 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.606 -5.449 -16.407 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.424 -4.062 -15.650 1.00 0.00 H new ATOM 1135 N MET A 87 0.615 -5.520 -13.467 1.00 0.00 N ATOM 1136 CA MET A 87 -0.493 -6.069 -12.647 1.00 0.00 C ATOM 1137 C MET A 87 -1.697 -6.434 -13.516 1.00 0.00 C ATOM 1138 O MET A 87 -2.653 -7.006 -13.039 1.00 0.00 O ATOM 1139 CB MET A 87 -0.922 -4.998 -11.630 1.00 0.00 C ATOM 1140 CG MET A 87 -1.944 -5.603 -10.664 1.00 0.00 C ATOM 1141 SD MET A 87 -1.699 -7.327 -10.168 1.00 0.00 S ATOM 1142 CE MET A 87 -2.693 -7.273 -8.656 1.00 0.00 C ATOM 0 H MET A 87 0.610 -4.507 -13.588 1.00 0.00 H new ATOM 0 HA MET A 87 -0.144 -6.972 -12.146 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.055 -4.634 -11.080 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.355 -4.141 -12.147 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.959 -4.991 -9.762 1.00 0.00 H new ATOM 0 HG3 MET A 87 -2.930 -5.520 -11.121 1.00 0.00 H new ATOM 0 HE1 MET A 87 -2.681 -8.252 -8.177 1.00 0.00 H new ATOM 0 HE2 MET A 87 -2.278 -6.531 -7.974 1.00 0.00 H new ATOM 0 HE3 MET A 87 -3.719 -7.003 -8.905 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.638 -6.076 -14.772 1.00 0.00 N ATOM 1153 CA GLY A 88 -2.781 -6.396 -15.684 1.00 0.00 C ATOM 1154 C GLY A 88 -2.735 -7.849 -16.232 1.00 0.00 C ATOM 1155 O GLY A 88 -3.685 -8.591 -16.101 1.00 0.00 O ATOM 0 H GLY A 88 -0.858 -5.581 -15.204 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.718 -6.246 -15.149 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.777 -5.698 -16.521 1.00 0.00 H new ATOM 1159 N PRO A 89 -1.624 -8.207 -16.840 1.00 0.00 N ATOM 1160 CA PRO A 89 -1.443 -9.555 -17.416 1.00 0.00 C ATOM 1161 C PRO A 89 -1.491 -10.686 -16.380 1.00 0.00 C ATOM 1162 O PRO A 89 -2.323 -11.567 -16.471 1.00 0.00 O ATOM 1163 CB PRO A 89 -0.041 -9.519 -18.057 1.00 0.00 C ATOM 1164 CG PRO A 89 0.545 -8.098 -17.819 1.00 0.00 C ATOM 1165 CD PRO A 89 -0.489 -7.302 -17.000 1.00 0.00 C ATOM 0 HA PRO A 89 -2.254 -9.768 -18.113 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.603 -10.279 -17.614 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.101 -9.735 -19.124 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.493 -8.159 -17.284 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.746 -7.602 -18.769 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.082 -7.005 -16.033 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.783 -6.388 -17.517 1.00 0.00 H new ATOM 1173 N LYS A 90 -0.589 -10.652 -15.436 1.00 0.00 N ATOM 1174 CA LYS A 90 -0.560 -11.720 -14.387 1.00 0.00 C ATOM 1175 C LYS A 90 -1.965 -12.174 -13.971 1.00 0.00 C ATOM 1176 O LYS A 90 -2.138 -13.274 -13.484 1.00 0.00 O ATOM 1177 CB LYS A 90 0.167 -11.166 -13.152 1.00 0.00 C ATOM 1178 CG LYS A 90 0.665 -12.342 -12.288 1.00 0.00 C ATOM 1179 CD LYS A 90 2.102 -12.745 -12.707 1.00 0.00 C ATOM 1180 CE LYS A 90 2.053 -13.801 -13.827 1.00 0.00 C ATOM 1181 NZ LYS A 90 3.260 -14.674 -13.768 1.00 0.00 N ATOM 0 H LYS A 90 0.129 -9.934 -15.343 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.046 -12.586 -14.804 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.007 -10.543 -13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.505 -10.533 -12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.651 -12.060 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.006 -13.194 -12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.649 -11.866 -13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.642 -13.141 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.152 -14.407 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.999 -13.309 -14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.214 -15.382 -14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.115 -14.093 -13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.294 -15.157 -12.848 1.00 0.00 H new ATOM 1195 N LEU A 91 -2.937 -11.332 -14.165 1.00 0.00 N ATOM 1196 CA LEU A 91 -4.316 -11.724 -13.779 1.00 0.00 C ATOM 1197 C LEU A 91 -4.896 -12.716 -14.781 1.00 0.00 C ATOM 1198 O LEU A 91 -5.001 -13.901 -14.535 1.00 0.00 O ATOM 1199 CB LEU A 91 -5.197 -10.467 -13.766 1.00 0.00 C ATOM 1200 CG LEU A 91 -4.878 -9.641 -12.519 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -3.365 -9.606 -12.307 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -5.390 -8.215 -12.722 1.00 0.00 C ATOM 0 H LEU A 91 -2.839 -10.401 -14.569 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.288 -12.192 -12.795 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.020 -9.875 -14.664 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.250 -10.747 -13.772 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.358 -10.088 -11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.136 -9.018 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.992 -10.622 -12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.886 -9.153 -13.175 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.167 -7.619 -11.837 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.901 -7.773 -13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.468 -8.235 -12.883 1.00 0.00 H new TER 1214 LEU A 91 HETATM 1215 MG MG A 601 7.889 7.827 -7.804 1.00 0.00 MG