USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 42 ALY H2 : A 42 ALY N : A 41 SER C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= -1.15! K(o=0.12!,f=-1.6) USER MOD Set 1.2: A 91 THR OG1 : rot 24:sc= 1.27 USER MOD Set 2.1: A 68 ASN : amide:sc= 0.209 X(o=0.2,f=0.056) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc=-0.00518 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.307 X(o=-1.2,f=-1) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.888! X(o=-1.2!,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.235 (180deg=-0.556) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= -0.0318 (180deg=-0.193) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -47:sc= 0.187 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.37) USER MOD Single : A 17 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.01) USER MOD Single : A 19 ASN : amide:sc= -0.901 K(o=-0.9,f=-3.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0512 (180deg=-0.288) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.14) USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.29! USER MOD Single : A 41 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 44 MET CE :methyl 130:sc= -0.0149 (180deg=-0.272) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0308 USER MOD Single : A 48 CYS SG : rot 83:sc= -2.75! USER MOD Single : A 51 GLN : amide:sc= -1.64 K(o=-1.6,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -119:sc= -1.1 (180deg=-3.12!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 75 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.16) USER MOD Single : A 78 MET CE :methyl 134:sc= -1.78 (180deg=-2.41!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.9!) USER MOD Single : A 90 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.574 11.418 21.915 1.00 0.00 N ATOM 2 CA MET A 1 2.175 11.398 21.449 1.00 0.00 C ATOM 3 C MET A 1 1.513 12.764 21.633 1.00 0.00 C ATOM 4 O MET A 1 0.289 12.885 21.596 1.00 0.00 O ATOM 5 CB MET A 1 1.366 10.302 22.170 1.00 0.00 C ATOM 6 CG MET A 1 1.339 10.416 23.688 1.00 0.00 C ATOM 7 SD MET A 1 2.936 10.054 24.455 1.00 0.00 S ATOM 8 CE MET A 1 2.537 10.295 26.182 1.00 0.00 C ATOM 0 H1 MET A 1 4.076 10.588 21.541 1.00 0.00 H new ATOM 0 H2 MET A 1 4.039 12.285 21.579 1.00 0.00 H new ATOM 0 H3 MET A 1 3.594 11.395 22.955 1.00 0.00 H new ATOM 0 HA MET A 1 2.186 11.167 20.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.341 10.326 21.801 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.779 9.330 21.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.030 11.424 23.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.589 9.732 24.084 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.423 10.109 26.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.199 11.320 26.338 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.746 9.604 26.472 1.00 0.00 H new ATOM 18 N ALA A 2 2.324 13.807 21.809 1.00 0.00 N ATOM 19 CA ALA A 2 1.804 15.156 21.983 1.00 0.00 C ATOM 20 C ALA A 2 1.393 15.758 20.647 1.00 0.00 C ATOM 21 O ALA A 2 2.223 16.277 19.896 1.00 0.00 O ATOM 22 CB ALA A 2 2.830 16.042 22.671 1.00 0.00 C ATOM 0 H ALA A 2 3.341 13.740 21.834 1.00 0.00 H new ATOM 0 HA ALA A 2 0.919 15.096 22.616 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.422 17.045 22.791 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.070 15.628 23.650 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.735 16.089 22.065 1.00 0.00 H new ATOM 28 N ASP A 3 0.115 15.677 20.340 1.00 0.00 N ATOM 29 CA ASP A 3 -0.417 16.217 19.096 1.00 0.00 C ATOM 30 C ASP A 3 -0.821 17.668 19.273 1.00 0.00 C ATOM 31 O ASP A 3 -1.063 18.389 18.312 1.00 0.00 O ATOM 32 CB ASP A 3 -1.605 15.381 18.609 1.00 0.00 C ATOM 33 CG ASP A 3 -2.774 15.398 19.574 1.00 0.00 C ATOM 34 OD1 ASP A 3 -2.591 14.996 20.747 1.00 0.00 O ATOM 35 OD2 ASP A 3 -3.875 15.811 19.168 1.00 0.00 O ATOM 0 H ASP A 3 -0.585 15.238 20.939 1.00 0.00 H new ATOM 0 HA ASP A 3 0.367 16.170 18.340 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.935 15.757 17.640 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.280 14.352 18.458 1.00 0.00 H new ATOM 40 N GLU A 4 -0.865 18.103 20.512 1.00 0.00 N ATOM 41 CA GLU A 4 -1.211 19.481 20.840 1.00 0.00 C ATOM 42 C GLU A 4 0.043 20.305 21.092 1.00 0.00 C ATOM 43 O GLU A 4 0.042 21.243 21.893 1.00 0.00 O ATOM 44 CB GLU A 4 -2.129 19.536 22.063 1.00 0.00 C ATOM 45 CG GLU A 4 -3.534 19.023 21.804 1.00 0.00 C ATOM 46 CD GLU A 4 -4.242 19.804 20.716 1.00 0.00 C ATOM 47 OE1 GLU A 4 -4.419 21.032 20.875 1.00 0.00 O ATOM 48 OE2 GLU A 4 -4.623 19.199 19.697 1.00 0.00 O ATOM 0 H GLU A 4 -0.664 17.519 21.324 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.743 19.904 19.988 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.682 18.951 22.867 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.188 20.566 22.414 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.488 17.971 21.521 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.114 19.080 22.725 1.00 0.00 H new ATOM 55 N LYS A 5 1.122 19.958 20.408 1.00 0.00 N ATOM 56 CA LYS A 5 2.370 20.694 20.531 1.00 0.00 C ATOM 57 C LYS A 5 2.247 22.130 19.972 1.00 0.00 C ATOM 58 O LYS A 5 2.666 23.078 20.636 1.00 0.00 O ATOM 59 CB LYS A 5 3.538 19.948 19.868 1.00 0.00 C ATOM 60 CG LYS A 5 4.843 20.727 19.904 1.00 0.00 C ATOM 61 CD LYS A 5 5.998 19.932 19.334 1.00 0.00 C ATOM 62 CE LYS A 5 7.250 20.789 19.230 1.00 0.00 C ATOM 63 NZ LYS A 5 7.654 21.355 20.544 1.00 0.00 N ATOM 0 H LYS A 5 1.158 19.170 19.761 1.00 0.00 H new ATOM 0 HA LYS A 5 2.586 20.770 21.597 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.680 18.990 20.369 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.280 19.731 18.831 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.728 21.653 19.340 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.069 21.007 20.933 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.196 19.067 19.967 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.731 19.551 18.348 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.067 20.189 18.828 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.075 21.601 18.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.596 21.788 20.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.966 22.078 20.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.683 20.596 21.255 1.00 0.00 H new ATOM 77 N PRO A 6 1.675 22.327 18.747 1.00 0.00 N ATOM 78 CA PRO A 6 1.523 23.659 18.186 1.00 0.00 C ATOM 79 C PRO A 6 0.436 24.450 18.894 1.00 0.00 C ATOM 80 O PRO A 6 -0.620 23.915 19.254 1.00 0.00 O ATOM 81 CB PRO A 6 1.125 23.426 16.723 1.00 0.00 C ATOM 82 CG PRO A 6 1.226 21.953 16.497 1.00 0.00 C ATOM 83 CD PRO A 6 1.139 21.302 17.843 1.00 0.00 C ATOM 0 HA PRO A 6 2.441 24.237 18.293 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.112 23.781 16.533 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.785 23.970 16.048 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.423 21.606 15.847 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.166 21.701 16.006 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.112 21.038 18.097 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.724 20.383 17.884 1.00 0.00 H new ATOM 91 N LYS A 7 0.686 25.722 19.081 1.00 0.00 N ATOM 92 CA LYS A 7 -0.257 26.612 19.735 1.00 0.00 C ATOM 93 C LYS A 7 -0.964 27.463 18.699 1.00 0.00 C ATOM 94 O LYS A 7 -1.480 28.540 19.001 1.00 0.00 O ATOM 95 CB LYS A 7 0.479 27.513 20.720 1.00 0.00 C ATOM 96 CG LYS A 7 1.149 26.770 21.861 1.00 0.00 C ATOM 97 CD LYS A 7 2.012 27.704 22.702 1.00 0.00 C ATOM 98 CE LYS A 7 1.206 28.874 23.251 1.00 0.00 C ATOM 99 NZ LYS A 7 2.056 29.826 24.002 1.00 0.00 N ATOM 0 H LYS A 7 1.550 26.176 18.785 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.993 26.015 20.274 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.234 28.083 20.179 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.227 28.232 21.135 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.390 26.307 22.492 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.765 25.965 21.461 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.453 27.146 23.528 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.836 28.082 22.097 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.716 29.395 22.428 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.418 28.498 23.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.470 30.607 24.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.504 29.335 24.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.792 30.205 23.373 1.00 0.00 H new ATOM 113 N GLU A 8 -0.987 26.971 17.474 1.00 0.00 N ATOM 114 CA GLU A 8 -1.587 27.694 16.367 1.00 0.00 C ATOM 115 C GLU A 8 -3.092 27.800 16.532 1.00 0.00 C ATOM 116 O GLU A 8 -3.782 26.798 16.754 1.00 0.00 O ATOM 117 CB GLU A 8 -1.251 27.012 15.045 1.00 0.00 C ATOM 118 CG GLU A 8 0.238 26.835 14.819 1.00 0.00 C ATOM 119 CD GLU A 8 1.002 28.126 14.989 1.00 0.00 C ATOM 120 OE1 GLU A 8 0.949 28.981 14.080 1.00 0.00 O ATOM 121 OE2 GLU A 8 1.661 28.294 16.031 1.00 0.00 O ATOM 0 H GLU A 8 -0.593 26.065 17.219 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.174 28.703 16.362 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.734 26.035 15.016 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.668 27.598 14.226 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.623 26.093 15.518 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.407 26.445 13.815 1.00 0.00 H new ATOM 128 N GLY A 9 -3.608 29.010 16.410 1.00 0.00 N ATOM 129 CA GLY A 9 -5.024 29.236 16.560 1.00 0.00 C ATOM 130 C GLY A 9 -5.782 28.963 15.282 1.00 0.00 C ATOM 131 O GLY A 9 -6.465 29.840 14.749 1.00 0.00 O ATOM 0 H GLY A 9 -3.063 29.848 16.207 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.411 28.597 17.354 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.195 30.267 16.869 1.00 0.00 H new ATOM 135 N VAL A 10 -5.662 27.751 14.779 1.00 0.00 N ATOM 136 CA VAL A 10 -6.343 27.354 13.565 1.00 0.00 C ATOM 137 C VAL A 10 -7.537 26.472 13.916 1.00 0.00 C ATOM 138 O VAL A 10 -7.528 25.768 14.930 1.00 0.00 O ATOM 139 CB VAL A 10 -5.393 26.592 12.602 1.00 0.00 C ATOM 140 CG1 VAL A 10 -6.034 26.413 11.232 1.00 0.00 C ATOM 141 CG2 VAL A 10 -4.059 27.315 12.472 1.00 0.00 C ATOM 0 H VAL A 10 -5.092 27.017 15.199 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.683 28.256 13.056 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.210 25.605 13.026 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.348 25.876 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.958 25.844 11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.255 27.390 10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.410 26.762 11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.226 28.318 12.079 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.585 27.383 13.451 1.00 0.00 H new ATOM 151 N LYS A 11 -8.561 26.507 13.088 1.00 0.00 N ATOM 152 CA LYS A 11 -9.778 25.756 13.328 1.00 0.00 C ATOM 153 C LYS A 11 -10.141 24.891 12.114 1.00 0.00 C ATOM 154 O LYS A 11 -10.632 23.776 12.253 1.00 0.00 O ATOM 155 CB LYS A 11 -10.922 26.731 13.663 1.00 0.00 C ATOM 156 CG LYS A 11 -12.314 26.136 13.556 1.00 0.00 C ATOM 157 CD LYS A 11 -12.492 24.955 14.486 1.00 0.00 C ATOM 158 CE LYS A 11 -13.735 24.174 14.131 1.00 0.00 C ATOM 159 NZ LYS A 11 -13.898 22.976 14.985 1.00 0.00 N ATOM 0 H LYS A 11 -8.574 27.057 12.229 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.618 25.085 14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.778 27.104 14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.856 27.590 12.995 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.055 26.900 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.497 25.821 12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.619 24.305 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.559 25.305 15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.609 24.816 14.236 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.686 23.870 13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.763 22.468 14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.076 22.350 14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.970 23.267 15.981 1.00 0.00 H new ATOM 173 N THR A 12 -9.856 25.388 10.930 1.00 0.00 N ATOM 174 CA THR A 12 -10.213 24.698 9.692 1.00 0.00 C ATOM 175 C THR A 12 -9.151 23.666 9.298 1.00 0.00 C ATOM 176 O THR A 12 -9.044 23.249 8.137 1.00 0.00 O ATOM 177 CB THR A 12 -10.418 25.715 8.560 1.00 0.00 C ATOM 178 OG1 THR A 12 -11.139 25.119 7.473 1.00 0.00 O ATOM 179 CG2 THR A 12 -9.088 26.274 8.054 1.00 0.00 C ATOM 0 H THR A 12 -9.373 26.276 10.790 1.00 0.00 H new ATOM 0 HA THR A 12 -11.147 24.162 9.863 1.00 0.00 H new ATOM 0 HB THR A 12 -10.999 26.542 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.746 24.247 7.259 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.275 26.990 7.254 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.568 26.772 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.471 25.459 7.675 1.00 0.00 H new ATOM 187 N GLU A 13 -8.390 23.242 10.280 1.00 0.00 N ATOM 188 CA GLU A 13 -7.335 22.265 10.088 1.00 0.00 C ATOM 189 C GLU A 13 -7.861 20.957 9.529 1.00 0.00 C ATOM 190 O GLU A 13 -7.612 20.625 8.368 1.00 0.00 O ATOM 191 CB GLU A 13 -6.596 22.018 11.392 1.00 0.00 C ATOM 192 CG GLU A 13 -5.461 22.985 11.624 1.00 0.00 C ATOM 193 CD GLU A 13 -4.347 22.794 10.616 1.00 0.00 C ATOM 194 OE1 GLU A 13 -3.751 21.693 10.587 1.00 0.00 O ATOM 195 OE2 GLU A 13 -4.081 23.730 9.832 1.00 0.00 O ATOM 0 H GLU A 13 -8.484 23.566 11.243 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.643 22.679 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.301 22.089 12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.204 21.001 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.835 24.007 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.067 22.849 12.631 1.00 0.00 H new ATOM 202 N ASN A 14 -8.579 20.203 10.360 1.00 0.00 N ATOM 203 CA ASN A 14 -9.128 18.925 9.980 1.00 0.00 C ATOM 204 C ASN A 14 -8.054 17.942 9.590 1.00 0.00 C ATOM 205 O ASN A 14 -8.294 17.006 8.832 1.00 0.00 O ATOM 206 CB ASN A 14 -10.130 19.069 8.870 1.00 0.00 C ATOM 207 CG ASN A 14 -11.455 18.552 9.307 1.00 0.00 C ATOM 208 OD1 ASN A 14 -12.336 19.308 9.703 1.00 0.00 O ATOM 209 ND2 ASN A 14 -11.595 17.263 9.298 1.00 0.00 N ATOM 0 H ASN A 14 -8.791 20.474 11.320 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.638 18.530 10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.217 20.117 8.582 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.790 18.523 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.463 16.842 9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.837 16.670 8.960 1.00 0.00 H new ATOM 216 N ASN A 15 -6.863 18.149 10.107 1.00 0.00 N ATOM 217 CA ASN A 15 -5.773 17.236 9.845 1.00 0.00 C ATOM 218 C ASN A 15 -6.033 15.916 10.547 1.00 0.00 C ATOM 219 O ASN A 15 -6.208 15.861 11.766 1.00 0.00 O ATOM 220 CB ASN A 15 -4.399 17.823 10.254 1.00 0.00 C ATOM 221 CG ASN A 15 -4.261 18.078 11.744 1.00 0.00 C ATOM 222 OD1 ASN A 15 -3.884 17.190 12.508 1.00 0.00 O ATOM 223 ND2 ASN A 15 -4.511 19.299 12.155 1.00 0.00 N ATOM 0 H ASN A 15 -6.625 18.938 10.709 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.728 17.069 8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.613 17.137 9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.240 18.759 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.394 19.540 13.139 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.822 20.007 11.490 1.00 0.00 H new ATOM 230 N ASP A 16 -6.097 14.857 9.779 1.00 0.00 N ATOM 231 CA ASP A 16 -6.339 13.537 10.315 1.00 0.00 C ATOM 232 C ASP A 16 -5.916 12.489 9.316 1.00 0.00 C ATOM 233 O ASP A 16 -5.333 12.804 8.270 1.00 0.00 O ATOM 234 CB ASP A 16 -7.817 13.337 10.740 1.00 0.00 C ATOM 235 CG ASP A 16 -8.821 13.445 9.602 1.00 0.00 C ATOM 236 OD1 ASP A 16 -8.883 12.523 8.760 1.00 0.00 O ATOM 237 OD2 ASP A 16 -9.590 14.434 9.568 1.00 0.00 O ATOM 0 H ASP A 16 -5.983 14.883 8.766 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.738 13.430 11.218 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.918 12.357 11.205 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.067 14.078 11.500 1.00 0.00 H new ATOM 242 N HIS A 17 -6.184 11.247 9.620 1.00 0.00 N ATOM 243 CA HIS A 17 -5.785 10.172 8.753 1.00 0.00 C ATOM 244 C HIS A 17 -6.927 9.205 8.528 1.00 0.00 C ATOM 245 O HIS A 17 -7.812 9.062 9.368 1.00 0.00 O ATOM 246 CB HIS A 17 -4.550 9.460 9.308 1.00 0.00 C ATOM 247 CG HIS A 17 -4.739 8.793 10.637 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.687 9.461 11.838 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.977 7.508 10.939 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.891 8.610 12.823 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.074 7.414 12.305 1.00 0.00 N ATOM 0 H HIS A 17 -6.678 10.955 10.463 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.518 10.595 7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.228 8.710 8.586 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.741 10.186 9.396 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.075 6.695 10.235 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.906 8.852 13.875 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.257 6.560 12.831 1.00 0.00 H new ATOM 260 N ILE A 18 -6.893 8.524 7.408 1.00 0.00 N ATOM 261 CA ILE A 18 -7.961 7.620 7.034 1.00 0.00 C ATOM 262 C ILE A 18 -7.506 6.177 7.059 1.00 0.00 C ATOM 263 O ILE A 18 -6.319 5.880 7.213 1.00 0.00 O ATOM 264 CB ILE A 18 -8.529 7.944 5.639 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.418 7.898 4.576 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.216 9.305 5.651 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.923 8.008 3.154 1.00 0.00 C ATOM 0 H ILE A 18 -6.131 8.578 6.732 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.748 7.760 7.775 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.271 7.188 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.715 8.709 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.865 6.965 4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.613 9.521 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.032 9.294 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.495 10.074 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.080 7.968 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.603 7.182 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.450 8.953 3.027 1.00 0.00 H new ATOM 279 N ASN A 19 -8.452 5.278 6.937 1.00 0.00 N ATOM 280 CA ASN A 19 -8.166 3.862 6.926 1.00 0.00 C ATOM 281 C ASN A 19 -8.104 3.373 5.495 1.00 0.00 C ATOM 282 O ASN A 19 -8.828 3.852 4.643 1.00 0.00 O ATOM 283 CB ASN A 19 -9.254 3.093 7.687 1.00 0.00 C ATOM 284 CG ASN A 19 -9.501 3.653 9.076 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.854 3.261 10.041 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.456 4.562 9.185 1.00 0.00 N ATOM 0 H ASN A 19 -9.442 5.506 6.843 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.207 3.689 7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.182 3.124 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.964 2.045 7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.677 4.963 10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.972 4.862 8.358 1.00 0.00 H new ATOM 293 N LEU A 20 -7.219 2.457 5.224 1.00 0.00 N ATOM 294 CA LEU A 20 -7.099 1.867 3.903 1.00 0.00 C ATOM 295 C LEU A 20 -7.034 0.361 4.012 1.00 0.00 C ATOM 296 O LEU A 20 -6.776 -0.190 5.087 1.00 0.00 O ATOM 297 CB LEU A 20 -5.853 2.393 3.172 1.00 0.00 C ATOM 298 CG LEU A 20 -6.083 3.526 2.159 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.159 3.150 1.157 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.434 4.822 2.858 1.00 0.00 C ATOM 0 H LEU A 20 -6.555 2.091 5.907 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.979 2.150 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.140 2.742 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.385 1.558 2.651 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.150 3.678 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.302 3.969 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.855 2.254 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.094 2.957 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.591 5.605 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.345 4.686 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.619 5.110 3.522 1.00 0.00 H new ATOM 312 N LYS A 21 -7.288 -0.311 2.916 1.00 0.00 N ATOM 313 CA LYS A 21 -7.243 -1.752 2.872 1.00 0.00 C ATOM 314 C LYS A 21 -6.485 -2.210 1.654 1.00 0.00 C ATOM 315 O LYS A 21 -6.515 -1.567 0.612 1.00 0.00 O ATOM 316 CB LYS A 21 -8.648 -2.328 2.835 1.00 0.00 C ATOM 317 CG LYS A 21 -9.447 -2.090 4.095 1.00 0.00 C ATOM 318 CD LYS A 21 -10.915 -2.458 3.913 1.00 0.00 C ATOM 319 CE LYS A 21 -11.093 -3.935 3.584 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.522 -4.303 3.428 1.00 0.00 N ATOM 0 H LYS A 21 -7.532 0.127 2.028 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.736 -2.105 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.184 -1.895 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.584 -3.401 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.024 -2.677 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.368 -1.042 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.465 -2.220 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.345 -1.854 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.556 -4.169 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.648 -4.539 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.597 -5.316 3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.030 -4.105 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.942 -3.746 2.656 1.00 0.00 H new ATOM 334 N VAL A 22 -5.806 -3.318 1.774 1.00 0.00 N ATOM 335 CA VAL A 22 -5.078 -3.884 0.655 1.00 0.00 C ATOM 336 C VAL A 22 -5.457 -5.332 0.467 1.00 0.00 C ATOM 337 O VAL A 22 -5.251 -6.168 1.357 1.00 0.00 O ATOM 338 CB VAL A 22 -3.545 -3.775 0.816 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.854 -4.497 -0.313 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.107 -2.324 0.838 1.00 0.00 C ATOM 0 H VAL A 22 -5.737 -3.855 2.638 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.357 -3.301 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.268 -4.236 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.774 -4.414 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.141 -5.548 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.147 -4.051 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.024 -2.272 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.397 -1.842 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.585 -1.812 1.674 1.00 0.00 H new ATOM 350 N ALA A 23 -6.023 -5.627 -0.676 1.00 0.00 N ATOM 351 CA ALA A 23 -6.434 -6.966 -1.001 1.00 0.00 C ATOM 352 C ALA A 23 -5.333 -7.680 -1.746 1.00 0.00 C ATOM 353 O ALA A 23 -4.879 -7.236 -2.797 1.00 0.00 O ATOM 354 CB ALA A 23 -7.711 -6.949 -1.818 1.00 0.00 C ATOM 0 H ALA A 23 -6.211 -4.942 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.633 -7.505 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.006 -7.972 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.503 -6.466 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.544 -6.397 -2.743 1.00 0.00 H new ATOM 360 N GLY A 24 -4.901 -8.784 -1.203 1.00 0.00 N ATOM 361 CA GLY A 24 -3.857 -9.537 -1.815 1.00 0.00 C ATOM 362 C GLY A 24 -4.416 -10.522 -2.811 1.00 0.00 C ATOM 363 O GLY A 24 -5.584 -10.915 -2.719 1.00 0.00 O ATOM 0 H GLY A 24 -5.261 -9.179 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.162 -8.863 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.290 -10.069 -1.050 1.00 0.00 H new ATOM 367 N GLN A 25 -3.597 -10.950 -3.750 1.00 0.00 N ATOM 368 CA GLN A 25 -4.030 -11.902 -4.772 1.00 0.00 C ATOM 369 C GLN A 25 -4.352 -13.269 -4.157 1.00 0.00 C ATOM 370 O GLN A 25 -4.938 -14.139 -4.803 1.00 0.00 O ATOM 371 CB GLN A 25 -2.968 -12.019 -5.880 1.00 0.00 C ATOM 372 CG GLN A 25 -1.581 -12.416 -5.387 1.00 0.00 C ATOM 373 CD GLN A 25 -1.446 -13.903 -5.133 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.056 -14.716 -5.817 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.670 -14.263 -4.136 1.00 0.00 N ATOM 0 H GLN A 25 -2.624 -10.657 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.949 -11.527 -5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.304 -12.754 -6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.896 -11.063 -6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.838 -12.110 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.360 -11.874 -4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.179 -13.555 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.558 -15.251 -3.908 1.00 0.00 H new ATOM 384 N ASP A 26 -3.964 -13.449 -2.899 1.00 0.00 N ATOM 385 CA ASP A 26 -4.223 -14.689 -2.180 1.00 0.00 C ATOM 386 C ASP A 26 -5.670 -14.733 -1.693 1.00 0.00 C ATOM 387 O ASP A 26 -6.194 -15.786 -1.349 1.00 0.00 O ATOM 388 CB ASP A 26 -3.257 -14.826 -0.998 1.00 0.00 C ATOM 389 CG ASP A 26 -3.477 -16.101 -0.209 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.012 -17.172 -0.655 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.108 -16.038 0.859 1.00 0.00 O ATOM 0 H ASP A 26 -3.466 -12.746 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.064 -15.525 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.232 -14.804 -1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.375 -13.968 -0.336 1.00 0.00 H new ATOM 396 N GLY A 27 -6.321 -13.580 -1.680 1.00 0.00 N ATOM 397 CA GLY A 27 -7.713 -13.523 -1.254 1.00 0.00 C ATOM 398 C GLY A 27 -7.896 -12.939 0.138 1.00 0.00 C ATOM 399 O GLY A 27 -8.979 -13.010 0.717 1.00 0.00 O ATOM 0 H GLY A 27 -5.917 -12.684 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.279 -12.925 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.133 -14.528 -1.276 1.00 0.00 H new ATOM 403 N SER A 28 -6.849 -12.359 0.680 1.00 0.00 N ATOM 404 CA SER A 28 -6.913 -11.767 1.995 1.00 0.00 C ATOM 405 C SER A 28 -6.800 -10.273 1.879 1.00 0.00 C ATOM 406 O SER A 28 -6.309 -9.758 0.882 1.00 0.00 O ATOM 407 CB SER A 28 -5.803 -12.317 2.895 1.00 0.00 C ATOM 408 OG SER A 28 -5.934 -11.844 4.230 1.00 0.00 O ATOM 0 H SER A 28 -5.938 -12.285 0.226 1.00 0.00 H new ATOM 0 HA SER A 28 -7.871 -12.022 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.834 -13.407 2.889 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.831 -12.024 2.497 1.00 0.00 H new ATOM 0 HG SER A 28 -5.212 -12.214 4.780 1.00 0.00 H new ATOM 414 N VAL A 29 -7.249 -9.575 2.880 1.00 0.00 N ATOM 415 CA VAL A 29 -7.198 -8.141 2.860 1.00 0.00 C ATOM 416 C VAL A 29 -6.748 -7.603 4.213 1.00 0.00 C ATOM 417 O VAL A 29 -7.165 -8.093 5.270 1.00 0.00 O ATOM 418 CB VAL A 29 -8.570 -7.527 2.462 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.612 -7.749 3.546 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.437 -6.046 2.140 1.00 0.00 C ATOM 0 H VAL A 29 -7.657 -9.976 3.725 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.470 -7.847 2.104 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.908 -8.041 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.559 -7.308 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.746 -8.818 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.279 -7.280 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.412 -5.644 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.060 -5.516 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.744 -5.915 1.309 1.00 0.00 H new ATOM 430 N VAL A 30 -5.865 -6.639 4.187 1.00 0.00 N ATOM 431 CA VAL A 30 -5.375 -6.019 5.399 1.00 0.00 C ATOM 432 C VAL A 30 -6.030 -4.663 5.597 1.00 0.00 C ATOM 433 O VAL A 30 -6.195 -3.902 4.644 1.00 0.00 O ATOM 434 CB VAL A 30 -3.837 -5.836 5.352 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.331 -5.119 6.596 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.151 -7.181 5.202 1.00 0.00 C ATOM 0 H VAL A 30 -5.464 -6.259 3.329 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.626 -6.676 6.231 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.596 -5.219 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.249 -5.005 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.796 -4.136 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.585 -5.703 7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.071 -7.037 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.408 -7.817 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.481 -7.657 4.278 1.00 0.00 H new ATOM 446 N GLN A 31 -6.421 -4.365 6.826 1.00 0.00 N ATOM 447 CA GLN A 31 -7.020 -3.093 7.155 1.00 0.00 C ATOM 448 C GLN A 31 -6.064 -2.307 8.029 1.00 0.00 C ATOM 449 O GLN A 31 -5.654 -2.765 9.095 1.00 0.00 O ATOM 450 CB GLN A 31 -8.325 -3.310 7.877 1.00 0.00 C ATOM 451 CG GLN A 31 -9.143 -4.440 7.287 1.00 0.00 C ATOM 452 CD GLN A 31 -10.513 -4.532 7.881 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.735 -5.234 8.871 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.440 -3.826 7.296 1.00 0.00 N ATOM 0 H GLN A 31 -6.330 -5.001 7.618 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.219 -2.534 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.123 -3.524 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.909 -2.390 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.227 -4.298 6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.619 -5.383 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.211 -3.260 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.395 -3.840 7.655 1.00 0.00 H new ATOM 463 N PHE A 32 -5.716 -1.131 7.593 1.00 0.00 N ATOM 464 CA PHE A 32 -4.709 -0.324 8.265 1.00 0.00 C ATOM 465 C PHE A 32 -5.023 1.154 8.151 1.00 0.00 C ATOM 466 O PHE A 32 -5.896 1.560 7.395 1.00 0.00 O ATOM 467 CB PHE A 32 -3.323 -0.611 7.682 1.00 0.00 C ATOM 468 CG PHE A 32 -3.265 -0.445 6.188 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.851 -1.385 5.354 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.650 0.653 5.618 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.824 -1.234 3.995 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.622 0.809 4.258 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.210 -0.135 3.443 1.00 0.00 C ATOM 0 H PHE A 32 -6.116 -0.694 6.762 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.716 -0.592 9.321 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.596 0.057 8.144 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.031 -1.629 7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.336 -2.249 5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.187 1.395 6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.283 -1.975 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.139 1.672 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.188 -0.011 2.370 1.00 0.00 H new ATOM 483 N LYS A 33 -4.317 1.958 8.910 1.00 0.00 N ATOM 484 CA LYS A 33 -4.541 3.388 8.905 1.00 0.00 C ATOM 485 C LYS A 33 -3.341 4.130 8.318 1.00 0.00 C ATOM 486 O LYS A 33 -2.191 3.768 8.559 1.00 0.00 O ATOM 487 CB LYS A 33 -4.824 3.870 10.321 1.00 0.00 C ATOM 488 CG LYS A 33 -5.826 3.001 11.063 1.00 0.00 C ATOM 489 CD LYS A 33 -6.297 3.656 12.354 1.00 0.00 C ATOM 490 CE LYS A 33 -5.154 3.844 13.337 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.530 2.551 13.714 1.00 0.00 N ATOM 0 H LYS A 33 -3.579 1.647 9.542 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.405 3.601 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.890 3.895 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.200 4.892 10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.684 2.807 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.372 2.036 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.746 4.623 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.073 3.043 12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.400 4.496 12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.524 4.343 14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.926 2.688 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.273 1.858 13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.953 2.200 12.923 1.00 0.00 H new ATOM 505 N ILE A 34 -3.612 5.165 7.531 1.00 0.00 N ATOM 506 CA ILE A 34 -2.558 5.968 6.920 1.00 0.00 C ATOM 507 C ILE A 34 -2.994 7.437 6.818 1.00 0.00 C ATOM 508 O ILE A 34 -4.178 7.737 6.645 1.00 0.00 O ATOM 509 CB ILE A 34 -2.169 5.421 5.513 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.061 6.274 4.881 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.388 5.363 4.603 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.533 5.728 3.571 1.00 0.00 C ATOM 0 H ILE A 34 -4.558 5.469 7.300 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.678 5.904 7.560 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.786 4.408 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.443 7.281 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.235 6.358 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.095 4.979 3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.138 4.705 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.805 6.364 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.246 6.388 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.119 4.733 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.346 5.670 2.847 1.00 0.00 H new ATOM 524 N LYS A 35 -2.047 8.357 6.954 1.00 0.00 N ATOM 525 CA LYS A 35 -2.365 9.776 6.898 1.00 0.00 C ATOM 526 C LYS A 35 -2.474 10.255 5.474 1.00 0.00 C ATOM 527 O LYS A 35 -1.922 9.660 4.559 1.00 0.00 O ATOM 528 CB LYS A 35 -1.330 10.609 7.642 1.00 0.00 C ATOM 529 CG LYS A 35 -0.968 10.058 9.009 1.00 0.00 C ATOM 530 CD LYS A 35 -0.461 11.157 9.946 1.00 0.00 C ATOM 531 CE LYS A 35 0.779 11.846 9.386 1.00 0.00 C ATOM 532 NZ LYS A 35 1.284 12.909 10.292 1.00 0.00 N ATOM 0 H LYS A 35 -1.060 8.147 7.103 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.331 9.905 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.426 10.675 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.710 11.624 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.841 9.577 9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.202 9.290 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.248 11.895 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.230 10.727 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.563 11.106 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.544 12.280 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.127 13.351 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.546 13.630 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.533 12.492 11.212 1.00 0.00 H new ATOM 546 N ARG A 36 -3.181 11.350 5.290 1.00 0.00 N ATOM 547 CA ARG A 36 -3.393 11.922 3.971 1.00 0.00 C ATOM 548 C ARG A 36 -2.073 12.411 3.372 1.00 0.00 C ATOM 549 O ARG A 36 -1.815 12.240 2.184 1.00 0.00 O ATOM 550 CB ARG A 36 -4.401 13.079 4.042 1.00 0.00 C ATOM 551 CG ARG A 36 -5.657 12.775 4.858 1.00 0.00 C ATOM 552 CD ARG A 36 -6.262 11.414 4.509 1.00 0.00 C ATOM 553 NE ARG A 36 -6.572 11.279 3.077 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.788 11.473 2.535 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.809 11.873 3.291 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.976 11.271 1.230 1.00 0.00 N ATOM 0 H ARG A 36 -3.625 11.870 6.047 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.798 11.142 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.906 13.950 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.698 13.349 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.412 12.800 5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.398 13.555 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.567 10.627 4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.173 11.267 5.089 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.810 11.020 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.672 12.035 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.728 12.018 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.198 10.970 0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.898 11.418 0.819 1.00 0.00 H new ATOM 570 N HIS A 37 -1.226 12.994 4.212 1.00 0.00 N ATOM 571 CA HIS A 37 0.059 13.536 3.770 1.00 0.00 C ATOM 572 C HIS A 37 1.154 12.467 3.877 1.00 0.00 C ATOM 573 O HIS A 37 2.339 12.732 3.660 1.00 0.00 O ATOM 574 CB HIS A 37 0.421 14.764 4.625 1.00 0.00 C ATOM 575 CG HIS A 37 1.591 15.554 4.115 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.819 15.573 4.737 1.00 0.00 N ATOM 577 CD2 HIS A 37 1.710 16.365 3.037 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.637 16.356 4.067 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.990 16.848 3.032 1.00 0.00 N ATOM 0 H HIS A 37 -1.405 13.105 5.210 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.020 13.840 2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.447 15.420 4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.637 14.433 5.641 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.938 16.589 2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.666 16.561 4.323 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.380 17.486 2.338 1.00 0.00 H new ATOM 588 N THR A 38 0.753 11.261 4.206 1.00 0.00 N ATOM 589 CA THR A 38 1.674 10.166 4.360 1.00 0.00 C ATOM 590 C THR A 38 1.789 9.358 3.066 1.00 0.00 C ATOM 591 O THR A 38 0.782 8.979 2.474 1.00 0.00 O ATOM 592 CB THR A 38 1.256 9.252 5.534 1.00 0.00 C ATOM 593 OG1 THR A 38 1.457 9.950 6.764 1.00 0.00 O ATOM 594 CG2 THR A 38 2.060 7.967 5.541 1.00 0.00 C ATOM 0 H THR A 38 -0.222 11.014 4.374 1.00 0.00 H new ATOM 0 HA THR A 38 2.654 10.587 4.587 1.00 0.00 H new ATOM 0 HB THR A 38 0.204 8.992 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.505 9.306 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.744 7.344 6.378 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.896 7.430 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.120 8.201 5.643 1.00 0.00 H new ATOM 602 N PRO A 39 3.024 9.103 2.608 1.00 0.00 N ATOM 603 CA PRO A 39 3.276 8.348 1.376 1.00 0.00 C ATOM 604 C PRO A 39 2.835 6.886 1.469 1.00 0.00 C ATOM 605 O PRO A 39 2.814 6.283 2.553 1.00 0.00 O ATOM 606 CB PRO A 39 4.796 8.431 1.210 1.00 0.00 C ATOM 607 CG PRO A 39 5.319 8.712 2.573 1.00 0.00 C ATOM 608 CD PRO A 39 4.275 9.540 3.254 1.00 0.00 C ATOM 0 HA PRO A 39 2.712 8.757 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.201 7.499 0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.074 9.220 0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.500 7.787 3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.269 9.245 2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.257 9.361 4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.451 10.606 3.112 1.00 0.00 H new ATOM 616 N LEU A 40 2.490 6.314 0.320 1.00 0.00 N ATOM 617 CA LEU A 40 2.064 4.920 0.210 1.00 0.00 C ATOM 618 C LEU A 40 3.185 3.953 0.573 1.00 0.00 C ATOM 619 O LEU A 40 2.956 2.756 0.718 1.00 0.00 O ATOM 620 CB LEU A 40 1.564 4.631 -1.207 1.00 0.00 C ATOM 621 CG LEU A 40 0.305 5.382 -1.632 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.061 5.220 -3.116 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.898 4.908 -0.844 1.00 0.00 C ATOM 0 H LEU A 40 2.498 6.809 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 40 1.252 4.769 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.362 4.871 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.373 3.561 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 40 0.457 6.440 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.841 5.763 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.912 5.617 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.064 4.163 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.783 5.458 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.050 3.843 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.728 5.082 0.219 1.00 0.00 H new ATOM 635 N SER A 41 4.403 4.466 0.684 1.00 0.00 N ATOM 636 CA SER A 41 5.558 3.657 1.052 1.00 0.00 C ATOM 637 C SER A 41 5.280 2.845 2.320 1.00 0.00 C ATOM 638 O SER A 41 5.539 1.633 2.374 1.00 0.00 O ATOM 639 CB SER A 41 6.778 4.558 1.250 1.00 0.00 C ATOM 640 OG SER A 41 6.466 5.647 2.102 1.00 0.00 O ATOM 0 H SER A 41 4.618 5.450 0.522 1.00 0.00 H new ATOM 0 HA SER A 41 5.760 2.954 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.597 3.980 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.120 4.932 0.285 1.00 0.00 H new ATOM 0 HG SER A 41 7.260 6.210 2.217 1.00 0.00 H new HETATM 646 OH ALY A 42 1.644 2.423 10.239 1.00 0.00 O HETATM 647 CH ALY A 42 0.783 2.175 9.392 1.00 0.00 C HETATM 648 CH3 ALY A 42 -0.280 1.135 9.629 1.00 0.00 C HETATM 649 NZ ALY A 42 0.719 2.822 8.238 1.00 0.00 N HETATM 650 CE ALY A 42 1.813 3.618 7.690 1.00 0.00 C HETATM 651 CD ALY A 42 1.639 3.868 6.199 1.00 0.00 C HETATM 652 CG ALY A 42 2.827 4.628 5.595 1.00 0.00 C HETATM 653 CB ALY A 42 4.140 3.855 5.707 1.00 0.00 C HETATM 654 CA ALY A 42 4.402 2.834 4.580 1.00 0.00 C HETATM 655 N ALY A 42 4.727 3.503 3.338 1.00 0.00 N HETATM 656 C ALY A 42 3.215 1.900 4.384 1.00 0.00 C HETATM 657 O ALY A 42 3.144 0.844 4.991 1.00 0.00 O HETATM 0 HH33 ALY A 42 0.190 0.166 9.795 1.00 0.00 H new HETATM 0 HH32 ALY A 42 -0.867 1.408 10.506 1.00 0.00 H new HETATM 0 HH31 ALY A 42 -0.933 1.077 8.758 1.00 0.00 H new HETATM 0 HZ ALY A 42 -0.146 2.760 7.701 1.00 0.00 H new HETATM 0 HG3 ALY A 42 2.932 5.589 6.098 1.00 0.00 H new HETATM 0 HG2 ALY A 42 2.623 4.839 4.545 1.00 0.00 H new HETATM 0 HE3 ALY A 42 2.759 3.105 7.864 1.00 0.00 H new HETATM 0 HE2 ALY A 42 1.866 4.572 8.215 1.00 0.00 H new HETATM 0 HD3 ALY A 42 0.724 4.436 6.032 1.00 0.00 H new HETATM 0 HD2 ALY A 42 1.520 2.915 5.684 1.00 0.00 H new HETATM 0 HCA ALY A 42 5.258 2.231 4.883 1.00 0.00 H new HETATM 0 HB3 ALY A 42 4.153 3.329 6.662 1.00 0.00 H new HETATM 0 HB2 ALY A 42 4.963 4.570 5.726 1.00 0.00 H new HETATM 0 H ALY A 42 4.757 4.522 3.300 1.00 0.00 H new ATOM 672 N LEU A 43 2.279 2.303 3.523 1.00 0.00 N ATOM 673 CA LEU A 43 1.108 1.485 3.204 1.00 0.00 C ATOM 674 C LEU A 43 1.544 0.155 2.616 1.00 0.00 C ATOM 675 O LEU A 43 1.096 -0.915 3.045 1.00 0.00 O ATOM 676 CB LEU A 43 0.171 2.246 2.229 1.00 0.00 C ATOM 677 CG LEU A 43 -0.897 1.410 1.494 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.097 2.268 1.148 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.331 0.811 0.217 1.00 0.00 C ATOM 0 H LEU A 43 2.310 3.196 3.032 1.00 0.00 H new ATOM 0 HA LEU A 43 0.553 1.286 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.338 3.030 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.790 2.740 1.480 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.204 0.605 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.840 1.662 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.531 2.672 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.784 3.088 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.103 0.226 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.003 1.611 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.513 0.165 0.461 1.00 0.00 H new ATOM 691 N MET A 44 2.427 0.222 1.632 1.00 0.00 N ATOM 692 CA MET A 44 2.949 -0.965 0.989 1.00 0.00 C ATOM 693 C MET A 44 3.679 -1.824 1.990 1.00 0.00 C ATOM 694 O MET A 44 3.468 -3.029 2.059 1.00 0.00 O ATOM 695 CB MET A 44 3.877 -0.584 -0.164 1.00 0.00 C ATOM 696 CG MET A 44 3.156 -0.227 -1.452 1.00 0.00 C ATOM 697 SD MET A 44 4.189 0.703 -2.591 1.00 0.00 S ATOM 698 CE MET A 44 3.026 1.022 -3.911 1.00 0.00 C ATOM 0 H MET A 44 2.798 1.097 1.261 1.00 0.00 H new ATOM 0 HA MET A 44 2.113 -1.536 0.584 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.490 0.263 0.143 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.556 -1.414 -0.359 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.817 -1.141 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.266 0.357 -1.216 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.042 2.083 -4.161 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.303 0.438 -4.789 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.024 0.740 -3.589 1.00 0.00 H new ATOM 708 N LYS A 45 4.525 -1.198 2.795 1.00 0.00 N ATOM 709 CA LYS A 45 5.285 -1.918 3.796 1.00 0.00 C ATOM 710 C LYS A 45 4.358 -2.538 4.843 1.00 0.00 C ATOM 711 O LYS A 45 4.572 -3.655 5.273 1.00 0.00 O ATOM 712 CB LYS A 45 6.331 -1.002 4.454 1.00 0.00 C ATOM 713 CG LYS A 45 7.200 -1.689 5.511 1.00 0.00 C ATOM 714 CD LYS A 45 7.880 -2.949 4.971 1.00 0.00 C ATOM 715 CE LYS A 45 8.951 -2.623 3.939 1.00 0.00 C ATOM 716 NZ LYS A 45 10.119 -1.932 4.539 1.00 0.00 N ATOM 0 H LYS A 45 4.700 -0.193 2.772 1.00 0.00 H new ATOM 0 HA LYS A 45 5.817 -2.729 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.979 -0.595 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.818 -0.158 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.959 -0.991 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.584 -1.951 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.329 -3.501 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.131 -3.601 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.283 -3.544 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.521 -1.995 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.895 -1.897 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.850 -0.964 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.433 -2.450 5.384 1.00 0.00 H new ATOM 730 N ALA A 46 3.305 -1.817 5.221 1.00 0.00 N ATOM 731 CA ALA A 46 2.344 -2.312 6.205 1.00 0.00 C ATOM 732 C ALA A 46 1.739 -3.626 5.742 1.00 0.00 C ATOM 733 O ALA A 46 1.713 -4.614 6.485 1.00 0.00 O ATOM 734 CB ALA A 46 1.248 -1.285 6.450 1.00 0.00 C ATOM 0 H ALA A 46 3.095 -0.886 4.860 1.00 0.00 H new ATOM 0 HA ALA A 46 2.873 -2.482 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.543 -1.673 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.691 -0.362 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.723 -1.083 5.516 1.00 0.00 H new ATOM 740 N TYR A 47 1.262 -3.650 4.503 1.00 0.00 N ATOM 741 CA TYR A 47 0.696 -4.856 3.934 1.00 0.00 C ATOM 742 C TYR A 47 1.754 -5.954 3.835 1.00 0.00 C ATOM 743 O TYR A 47 1.496 -7.127 4.156 1.00 0.00 O ATOM 744 CB TYR A 47 0.097 -4.585 2.548 1.00 0.00 C ATOM 745 CG TYR A 47 -0.207 -5.850 1.774 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.383 -6.554 1.988 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.698 -6.350 0.844 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.653 -7.719 1.295 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.434 -7.510 0.146 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.740 -8.193 0.374 1.00 0.00 C ATOM 751 OH TYR A 47 -1.000 -9.359 -0.318 1.00 0.00 O ATOM 0 H TYR A 47 1.258 -2.845 3.877 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.102 -5.191 4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.820 -4.007 2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.791 -3.972 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.099 -6.186 2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.623 -5.821 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.573 -8.256 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.145 -7.881 -0.577 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.257 -9.551 -0.927 1.00 0.00 H new ATOM 761 N CYS A 48 2.948 -5.574 3.400 1.00 0.00 N ATOM 762 CA CYS A 48 4.039 -6.523 3.224 1.00 0.00 C ATOM 763 C CYS A 48 4.464 -7.128 4.558 1.00 0.00 C ATOM 764 O CYS A 48 4.831 -8.287 4.627 1.00 0.00 O ATOM 765 CB CYS A 48 5.223 -5.863 2.523 1.00 0.00 C ATOM 766 SG CYS A 48 4.836 -5.236 0.878 1.00 0.00 S ATOM 0 H CYS A 48 3.186 -4.611 3.162 1.00 0.00 H new ATOM 0 HA CYS A 48 3.678 -7.334 2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.586 -5.040 3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.036 -6.585 2.445 1.00 0.00 H new ATOM 0 HG CYS A 48 4.283 -4.064 0.979 1.00 0.00 H new ATOM 772 N GLU A 49 4.395 -6.339 5.615 1.00 0.00 N ATOM 773 CA GLU A 49 4.727 -6.807 6.959 1.00 0.00 C ATOM 774 C GLU A 49 3.727 -7.863 7.412 1.00 0.00 C ATOM 775 O GLU A 49 4.094 -8.882 7.992 1.00 0.00 O ATOM 776 CB GLU A 49 4.708 -5.638 7.939 1.00 0.00 C ATOM 777 CG GLU A 49 5.849 -4.658 7.758 1.00 0.00 C ATOM 778 CD GLU A 49 7.065 -5.025 8.571 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.050 -4.796 9.796 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.046 -5.535 7.999 1.00 0.00 O ATOM 0 H GLU A 49 4.110 -5.361 5.573 1.00 0.00 H new ATOM 0 HA GLU A 49 5.725 -7.245 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.764 -5.103 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.738 -6.030 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.121 -4.614 6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.514 -3.660 8.042 1.00 0.00 H new ATOM 787 N ARG A 50 2.456 -7.617 7.128 1.00 0.00 N ATOM 788 CA ARG A 50 1.380 -8.528 7.515 1.00 0.00 C ATOM 789 C ARG A 50 1.494 -9.861 6.795 1.00 0.00 C ATOM 790 O ARG A 50 1.338 -10.922 7.388 1.00 0.00 O ATOM 791 CB ARG A 50 0.026 -7.902 7.204 1.00 0.00 C ATOM 792 CG ARG A 50 -0.230 -6.604 7.933 1.00 0.00 C ATOM 793 CD ARG A 50 -0.344 -6.813 9.429 1.00 0.00 C ATOM 794 NE ARG A 50 -1.516 -7.620 9.788 1.00 0.00 N ATOM 795 CZ ARG A 50 -2.357 -7.337 10.791 1.00 0.00 C ATOM 796 NH1 ARG A 50 -2.188 -6.240 11.523 1.00 0.00 N ATOM 797 NH2 ARG A 50 -3.371 -8.154 11.055 1.00 0.00 N ATOM 0 H ARG A 50 2.139 -6.787 6.626 1.00 0.00 H new ATOM 0 HA ARG A 50 1.468 -8.706 8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.043 -7.724 6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.760 -8.613 7.461 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.579 -5.904 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.148 -6.151 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.558 -7.303 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.406 -5.845 9.926 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.703 -8.456 9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.414 -5.607 11.322 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.833 -6.031 12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.508 -8.995 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.013 -7.940 11.819 1.00 0.00 H new ATOM 811 N GLN A 51 1.769 -9.809 5.508 1.00 0.00 N ATOM 812 CA GLN A 51 1.872 -11.025 4.707 1.00 0.00 C ATOM 813 C GLN A 51 3.276 -11.626 4.772 1.00 0.00 C ATOM 814 O GLN A 51 3.468 -12.810 4.508 1.00 0.00 O ATOM 815 CB GLN A 51 1.472 -10.751 3.253 1.00 0.00 C ATOM 816 CG GLN A 51 0.073 -11.248 2.876 1.00 0.00 C ATOM 817 CD GLN A 51 -1.054 -10.623 3.694 1.00 0.00 C ATOM 818 OE1 GLN A 51 -2.080 -11.257 3.938 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.885 -9.377 4.100 1.00 0.00 N ATOM 0 H GLN A 51 1.926 -8.944 4.990 1.00 0.00 H new ATOM 0 HA GLN A 51 1.180 -11.754 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.524 -9.678 3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.201 -11.222 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.102 -11.041 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.039 -12.331 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.021 -8.882 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.618 -8.911 4.634 1.00 0.00 H new ATOM 828 N GLY A 52 4.254 -10.815 5.119 1.00 0.00 N ATOM 829 CA GLY A 52 5.623 -11.293 5.231 1.00 0.00 C ATOM 830 C GLY A 52 6.352 -11.333 3.892 1.00 0.00 C ATOM 831 O GLY A 52 7.476 -11.822 3.801 1.00 0.00 O ATOM 0 H GLY A 52 4.131 -9.824 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.172 -10.649 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.619 -12.292 5.666 1.00 0.00 H new ATOM 835 N LEU A 53 5.712 -10.834 2.852 1.00 0.00 N ATOM 836 CA LEU A 53 6.295 -10.817 1.512 1.00 0.00 C ATOM 837 C LEU A 53 7.086 -9.526 1.238 1.00 0.00 C ATOM 838 O LEU A 53 7.148 -8.627 2.081 1.00 0.00 O ATOM 839 CB LEU A 53 5.201 -11.047 0.449 1.00 0.00 C ATOM 840 CG LEU A 53 3.925 -10.198 0.581 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.191 -8.750 0.233 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.816 -10.760 -0.293 1.00 0.00 C ATOM 0 H LEU A 53 4.777 -10.429 2.905 1.00 0.00 H new ATOM 0 HA LEU A 53 7.012 -11.636 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.635 -10.860 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.915 -12.099 0.476 1.00 0.00 H new ATOM 0 HG LEU A 53 3.603 -10.239 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.270 -8.176 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.947 -8.347 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.548 -8.682 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.922 -10.146 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.136 -10.756 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.593 -11.782 0.014 1.00 0.00 H new ATOM 854 N SER A 54 7.689 -9.444 0.054 1.00 0.00 N ATOM 855 CA SER A 54 8.487 -8.288 -0.339 1.00 0.00 C ATOM 856 C SER A 54 7.685 -7.350 -1.248 1.00 0.00 C ATOM 857 O SER A 54 7.032 -7.796 -2.191 1.00 0.00 O ATOM 858 CB SER A 54 9.750 -8.759 -1.060 1.00 0.00 C ATOM 859 OG SER A 54 10.630 -9.412 -0.165 1.00 0.00 O ATOM 0 H SER A 54 7.638 -10.174 -0.656 1.00 0.00 H new ATOM 0 HA SER A 54 8.763 -7.736 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.480 -9.437 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.254 -7.906 -1.514 1.00 0.00 H new ATOM 0 HG SER A 54 11.430 -9.706 -0.649 1.00 0.00 H new ATOM 865 N MET A 55 7.757 -6.040 -0.978 1.00 0.00 N ATOM 866 CA MET A 55 7.021 -5.041 -1.775 1.00 0.00 C ATOM 867 C MET A 55 7.545 -4.954 -3.203 1.00 0.00 C ATOM 868 O MET A 55 6.845 -4.511 -4.105 1.00 0.00 O ATOM 869 CB MET A 55 7.067 -3.645 -1.122 1.00 0.00 C ATOM 870 CG MET A 55 8.470 -3.120 -0.849 1.00 0.00 C ATOM 871 SD MET A 55 8.530 -1.320 -0.666 1.00 0.00 S ATOM 872 CE MET A 55 7.357 -1.067 0.659 1.00 0.00 C ATOM 0 H MET A 55 8.313 -5.646 -0.219 1.00 0.00 H new ATOM 0 HA MET A 55 5.985 -5.379 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.548 -2.938 -1.769 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.517 -3.680 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.855 -3.585 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.129 -3.419 -1.665 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.538 -0.441 0.305 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.964 -2.030 0.985 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.854 -0.575 1.496 1.00 0.00 H new ATOM 882 N ARG A 56 8.777 -5.385 -3.414 1.00 0.00 N ATOM 883 CA ARG A 56 9.379 -5.337 -4.740 1.00 0.00 C ATOM 884 C ARG A 56 8.943 -6.534 -5.578 1.00 0.00 C ATOM 885 O ARG A 56 9.215 -6.605 -6.767 1.00 0.00 O ATOM 886 CB ARG A 56 10.905 -5.290 -4.626 1.00 0.00 C ATOM 887 CG ARG A 56 11.534 -6.586 -4.149 1.00 0.00 C ATOM 888 CD ARG A 56 12.991 -6.391 -3.786 1.00 0.00 C ATOM 889 NE ARG A 56 13.139 -5.576 -2.583 1.00 0.00 N ATOM 890 CZ ARG A 56 13.511 -6.047 -1.388 1.00 0.00 C ATOM 891 NH1 ARG A 56 13.801 -7.340 -1.234 1.00 0.00 N ATOM 892 NH2 ARG A 56 13.595 -5.221 -0.352 1.00 0.00 N ATOM 0 H ARG A 56 9.380 -5.771 -2.688 1.00 0.00 H new ATOM 0 HA ARG A 56 9.037 -4.431 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.323 -5.033 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.182 -4.490 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.988 -6.960 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.450 -7.342 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.461 -7.362 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.513 -5.915 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 56 12.945 -4.578 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.740 -7.975 -2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.084 -7.694 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.376 -4.232 -0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.878 -5.576 0.561 1.00 0.00 H new ATOM 906 N GLN A 57 8.284 -7.491 -4.941 1.00 0.00 N ATOM 907 CA GLN A 57 7.811 -8.691 -5.627 1.00 0.00 C ATOM 908 C GLN A 57 6.316 -8.616 -5.870 1.00 0.00 C ATOM 909 O GLN A 57 5.693 -9.570 -6.338 1.00 0.00 O ATOM 910 CB GLN A 57 8.144 -9.923 -4.791 1.00 0.00 C ATOM 911 CG GLN A 57 9.611 -10.022 -4.428 1.00 0.00 C ATOM 912 CD GLN A 57 10.495 -10.300 -5.627 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.812 -11.446 -5.929 1.00 0.00 O ATOM 914 NE2 GLN A 57 10.872 -9.258 -6.332 1.00 0.00 N ATOM 0 H GLN A 57 8.063 -7.462 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 57 8.311 -8.762 -6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.551 -9.904 -3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.852 -10.817 -5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.928 -9.091 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.746 -10.814 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.588 -8.320 -6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.449 -9.386 -7.163 1.00 0.00 H new ATOM 923 N ILE A 58 5.732 -7.477 -5.549 1.00 0.00 N ATOM 924 CA ILE A 58 4.311 -7.283 -5.713 1.00 0.00 C ATOM 925 C ILE A 58 4.018 -5.914 -6.291 1.00 0.00 C ATOM 926 O ILE A 58 4.908 -5.078 -6.426 1.00 0.00 O ATOM 927 CB ILE A 58 3.543 -7.439 -4.378 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.147 -6.553 -3.298 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.544 -8.882 -3.927 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.284 -6.429 -2.069 1.00 0.00 C ATOM 0 H ILE A 58 6.227 -6.669 -5.171 1.00 0.00 H new ATOM 0 HA ILE A 58 3.970 -8.057 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 58 2.513 -7.126 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.119 -6.955 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.323 -5.559 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.999 -8.970 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.063 -9.500 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.571 -9.218 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.777 -5.783 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.321 -5.998 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.129 -7.416 -1.632 1.00 0.00 H new ATOM 942 N ARG A 59 2.766 -5.681 -6.619 1.00 0.00 N ATOM 943 CA ARG A 59 2.343 -4.414 -7.164 1.00 0.00 C ATOM 944 C ARG A 59 1.010 -4.010 -6.615 1.00 0.00 C ATOM 945 O ARG A 59 0.144 -4.854 -6.352 1.00 0.00 O ATOM 946 CB ARG A 59 2.306 -4.440 -8.688 1.00 0.00 C ATOM 947 CG ARG A 59 3.677 -4.406 -9.335 1.00 0.00 C ATOM 948 CD ARG A 59 4.462 -3.176 -8.901 1.00 0.00 C ATOM 949 NE ARG A 59 3.852 -1.926 -9.354 1.00 0.00 N ATOM 950 CZ ARG A 59 4.102 -0.739 -8.797 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.861 -0.664 -7.712 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.589 0.365 -9.320 1.00 0.00 N ATOM 0 H ARG A 59 2.016 -6.364 -6.515 1.00 0.00 H new ATOM 0 HA ARG A 59 3.081 -3.671 -6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.783 -5.339 -9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.726 -3.588 -9.042 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.230 -5.306 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.570 -4.408 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.539 -3.164 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.477 -3.242 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 59 3.200 -1.963 -10.138 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.253 -1.513 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.053 0.242 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.001 0.310 -10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.782 1.270 -8.891 1.00 0.00 H new ATOM 966 N PHE A 60 0.843 -2.713 -6.433 1.00 0.00 N ATOM 967 CA PHE A 60 -0.387 -2.158 -5.884 1.00 0.00 C ATOM 968 C PHE A 60 -1.122 -1.362 -6.946 1.00 0.00 C ATOM 969 O PHE A 60 -0.537 -0.496 -7.608 1.00 0.00 O ATOM 970 CB PHE A 60 -0.100 -1.249 -4.665 1.00 0.00 C ATOM 971 CG PHE A 60 0.416 -1.964 -3.453 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.615 -2.654 -3.488 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.292 -1.929 -2.268 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.094 -3.295 -2.368 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.183 -2.570 -1.144 1.00 0.00 C ATOM 976 CZ PHE A 60 1.377 -3.255 -1.193 1.00 0.00 C ATOM 0 H PHE A 60 1.551 -2.015 -6.660 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.008 -2.991 -5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.626 -0.491 -4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.017 -0.725 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.182 -2.690 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.229 -1.393 -2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.032 -3.829 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.382 -2.535 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.749 -3.759 -0.313 1.00 0.00 H new ATOM 986 N ARG A 61 -2.398 -1.653 -7.126 1.00 0.00 N ATOM 987 CA ARG A 61 -3.200 -0.929 -8.098 1.00 0.00 C ATOM 988 C ARG A 61 -4.502 -0.436 -7.486 1.00 0.00 C ATOM 989 O ARG A 61 -5.145 -1.128 -6.697 1.00 0.00 O ATOM 990 CB ARG A 61 -3.444 -1.773 -9.367 1.00 0.00 C ATOM 991 CG ARG A 61 -4.359 -2.971 -9.188 1.00 0.00 C ATOM 992 CD ARG A 61 -5.822 -2.637 -9.469 1.00 0.00 C ATOM 993 NE ARG A 61 -6.647 -3.848 -9.558 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.919 -3.875 -9.967 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.531 -2.759 -10.330 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.573 -5.025 -10.010 1.00 0.00 N ATOM 0 H ARG A 61 -2.899 -2.380 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.635 -0.048 -8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.866 -1.127 -10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.482 -2.125 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.038 -3.772 -9.854 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.265 -3.347 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.206 -1.992 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.895 -2.077 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.218 -4.733 -9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.032 -1.870 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.502 -2.788 -10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.106 -5.888 -9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.544 -5.048 -10.322 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.873 0.766 -7.849 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.062 1.407 -7.347 1.00 0.00 C ATOM 1012 C PHE A 62 -6.715 2.192 -8.467 1.00 0.00 C ATOM 1013 O PHE A 62 -6.033 2.839 -9.243 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.685 2.351 -6.200 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.830 3.145 -5.649 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.657 2.611 -4.682 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.072 4.436 -6.095 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.701 3.343 -4.168 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.119 5.173 -5.587 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.935 4.626 -4.620 1.00 0.00 C ATOM 0 H PHE A 62 -4.349 1.336 -8.513 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.760 0.656 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.244 1.765 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.917 3.040 -6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.482 1.607 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.432 4.869 -6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.339 2.914 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.300 6.176 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.756 5.200 -4.217 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.032 2.114 -8.570 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.791 2.849 -9.595 1.00 0.00 C ATOM 1032 C ASP A 63 -8.420 2.376 -10.982 1.00 0.00 C ATOM 1033 O ASP A 63 -8.544 3.116 -11.962 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.516 4.347 -9.503 1.00 0.00 C ATOM 1035 CG ASP A 63 -9.697 5.179 -9.944 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.665 5.296 -9.171 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.663 5.726 -11.064 1.00 0.00 O ATOM 0 H ASP A 63 -8.612 1.545 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.849 2.658 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.258 4.604 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.652 4.593 -10.120 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.002 1.134 -11.097 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.571 0.640 -12.375 1.00 0.00 C ATOM 1044 C GLY A 64 -6.151 1.052 -12.739 1.00 0.00 C ATOM 1045 O GLY A 64 -5.630 0.648 -13.778 1.00 0.00 O ATOM 0 H GLY A 64 -7.954 0.462 -10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.636 -0.448 -12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.254 1.001 -13.144 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.503 1.836 -11.889 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.158 2.314 -12.188 1.00 0.00 C ATOM 1051 C GLN A 65 -3.190 1.987 -11.054 1.00 0.00 C ATOM 1052 O GLN A 65 -3.571 1.964 -9.892 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.178 3.824 -12.458 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.736 4.652 -11.313 1.00 0.00 C ATOM 1055 CD GLN A 65 -4.765 6.125 -11.624 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -3.803 6.848 -11.368 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -5.866 6.583 -12.177 1.00 0.00 N ATOM 0 H GLN A 65 -5.880 2.153 -10.996 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.809 1.801 -13.084 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.163 4.157 -12.672 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.771 4.014 -13.352 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.746 4.313 -11.083 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.133 4.485 -10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.640 5.949 -12.373 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.946 7.573 -12.411 1.00 0.00 H new ATOM 1066 N PRO A 66 -1.937 1.701 -11.385 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.912 1.397 -10.385 1.00 0.00 C ATOM 1068 C PRO A 66 -0.491 2.643 -9.602 1.00 0.00 C ATOM 1069 O PRO A 66 -0.539 3.766 -10.118 1.00 0.00 O ATOM 1070 CB PRO A 66 0.253 0.878 -11.228 1.00 0.00 C ATOM 1071 CG PRO A 66 0.071 1.527 -12.558 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.409 1.642 -12.761 1.00 0.00 C ATOM 0 HA PRO A 66 -1.262 0.689 -9.634 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.213 1.144 -10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.230 -0.209 -11.310 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.546 2.508 -12.582 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.528 0.932 -13.349 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.669 2.535 -13.330 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.807 0.788 -13.308 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.084 2.454 -8.357 1.00 0.00 N ATOM 1081 CA ILE A 67 0.363 3.565 -7.526 1.00 0.00 C ATOM 1082 C ILE A 67 1.738 3.312 -6.982 1.00 0.00 C ATOM 1083 O ILE A 67 2.081 2.194 -6.593 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.599 3.907 -6.343 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -0.987 2.654 -5.522 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.829 4.660 -6.832 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.128 1.852 -6.103 1.00 0.00 C ATOM 0 H ILE A 67 -0.053 1.544 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 67 0.370 4.428 -8.192 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.053 4.566 -5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.113 2.008 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.256 2.966 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.479 4.884 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.520 5.591 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.369 4.046 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.332 0.993 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.018 2.478 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.858 1.505 -7.101 1.00 0.00 H new ATOM 1099 N ASN A 68 2.544 4.338 -6.994 1.00 0.00 N ATOM 1100 CA ASN A 68 3.882 4.265 -6.476 1.00 0.00 C ATOM 1101 C ASN A 68 3.914 4.655 -5.015 1.00 0.00 C ATOM 1102 O ASN A 68 3.105 5.455 -4.551 1.00 0.00 O ATOM 1103 CB ASN A 68 4.831 5.152 -7.297 1.00 0.00 C ATOM 1104 CG ASN A 68 4.129 6.347 -7.916 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.708 6.303 -9.073 1.00 0.00 O ATOM 1106 ND2 ASN A 68 3.985 7.405 -7.160 1.00 0.00 N ATOM 0 H ASN A 68 2.289 5.253 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 68 4.223 3.233 -6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.639 5.503 -6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.287 4.555 -8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.510 8.231 -7.524 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.347 7.404 -6.206 1.00 0.00 H new ATOM 1113 N GLU A 69 4.863 4.092 -4.289 1.00 0.00 N ATOM 1114 CA GLU A 69 5.025 4.348 -2.854 1.00 0.00 C ATOM 1115 C GLU A 69 5.302 5.823 -2.569 1.00 0.00 C ATOM 1116 O GLU A 69 5.130 6.303 -1.449 1.00 0.00 O ATOM 1117 CB GLU A 69 6.155 3.482 -2.295 1.00 0.00 C ATOM 1118 CG GLU A 69 7.320 3.323 -3.249 1.00 0.00 C ATOM 1119 CD GLU A 69 8.519 2.663 -2.618 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.357 3.376 -2.044 1.00 0.00 O ATOM 1121 OE2 GLU A 69 8.644 1.424 -2.712 1.00 0.00 O ATOM 0 H GLU A 69 5.549 3.441 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 69 4.088 4.088 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.514 3.923 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.760 2.497 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.000 2.734 -4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.610 4.304 -3.625 1.00 0.00 H new ATOM 1128 N THR A 70 5.724 6.538 -3.589 1.00 0.00 N ATOM 1129 CA THR A 70 6.031 7.944 -3.474 1.00 0.00 C ATOM 1130 C THR A 70 4.758 8.802 -3.509 1.00 0.00 C ATOM 1131 O THR A 70 4.792 10.007 -3.229 1.00 0.00 O ATOM 1132 CB THR A 70 6.966 8.365 -4.611 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.371 8.006 -5.859 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.297 7.657 -4.483 1.00 0.00 C ATOM 0 H THR A 70 5.864 6.157 -4.525 1.00 0.00 H new ATOM 0 HA THR A 70 6.521 8.103 -2.513 1.00 0.00 H new ATOM 0 HB THR A 70 7.126 9.442 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.963 8.274 -6.593 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.953 7.965 -5.297 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.757 7.916 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.142 6.579 -4.530 1.00 0.00 H new ATOM 1142 N ASP A 71 3.635 8.189 -3.855 1.00 0.00 N ATOM 1143 CA ASP A 71 2.373 8.906 -3.912 1.00 0.00 C ATOM 1144 C ASP A 71 1.639 8.837 -2.586 1.00 0.00 C ATOM 1145 O ASP A 71 1.942 8.000 -1.742 1.00 0.00 O ATOM 1146 CB ASP A 71 1.494 8.396 -5.059 1.00 0.00 C ATOM 1147 CG ASP A 71 1.417 9.401 -6.188 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.030 10.557 -5.930 1.00 0.00 O ATOM 1149 OD2 ASP A 71 1.755 9.047 -7.337 1.00 0.00 O ATOM 0 H ASP A 71 3.574 7.201 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 71 2.600 9.954 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.895 7.455 -5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.491 8.189 -4.686 1.00 0.00 H new ATOM 1154 N THR A 72 0.685 9.728 -2.392 1.00 0.00 N ATOM 1155 CA THR A 72 -0.073 9.789 -1.153 1.00 0.00 C ATOM 1156 C THR A 72 -1.555 9.543 -1.412 1.00 0.00 C ATOM 1157 O THR A 72 -2.051 9.810 -2.510 1.00 0.00 O ATOM 1158 CB THR A 72 0.091 11.167 -0.478 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.147 12.210 -1.436 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.481 11.324 0.114 1.00 0.00 C ATOM 0 H THR A 72 0.413 10.427 -3.083 1.00 0.00 H new ATOM 0 HA THR A 72 0.315 9.012 -0.494 1.00 0.00 H new ATOM 0 HB THR A 72 -0.636 11.239 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.043 13.083 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.568 12.304 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.648 10.548 0.861 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.226 11.233 -0.677 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.299 9.047 -0.400 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.739 8.796 -0.530 1.00 0.00 C ATOM 1170 C PRO A 73 -4.534 10.098 -0.719 1.00 0.00 C ATOM 1171 O PRO A 73 -5.737 10.083 -1.007 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.114 8.124 0.798 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.045 8.524 1.753 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.792 8.678 0.943 1.00 0.00 C ATOM 0 HA PRO A 73 -3.970 8.186 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.094 8.454 1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.161 7.040 0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.301 9.457 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.916 7.770 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.140 9.449 1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.214 7.754 0.915 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.863 11.227 -0.552 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.492 12.527 -0.718 1.00 0.00 C ATOM 1184 C ALA A 74 -4.260 13.067 -2.113 1.00 0.00 C ATOM 1185 O ALA A 74 -5.012 13.905 -2.597 1.00 0.00 O ATOM 1186 CB ALA A 74 -3.973 13.507 0.314 1.00 0.00 C ATOM 0 H ALA A 74 -2.876 11.268 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.565 12.401 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.456 14.474 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.194 13.134 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.895 13.620 0.199 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.217 12.578 -2.774 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.874 13.038 -4.110 1.00 0.00 C ATOM 1194 C GLN A 75 -3.989 12.691 -5.089 1.00 0.00 C ATOM 1195 O GLN A 75 -4.409 13.512 -5.904 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.561 12.407 -4.573 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.817 13.231 -5.609 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.108 14.419 -4.991 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.681 15.501 -4.852 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.144 14.228 -4.623 1.00 0.00 N ATOM 0 H GLN A 75 -2.594 11.861 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.751 14.121 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.915 12.259 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.769 11.421 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.089 12.600 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.519 13.582 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.581 13.316 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.675 14.992 -4.206 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.498 11.475 -4.976 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.545 11.001 -5.862 1.00 0.00 C ATOM 1211 C LEU A 76 -6.901 11.068 -5.181 1.00 0.00 C ATOM 1212 O LEU A 76 -7.922 10.699 -5.755 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.249 9.572 -6.413 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.573 8.537 -5.468 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.085 8.824 -5.298 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.264 8.485 -4.116 1.00 0.00 C ATOM 0 H LEU A 76 -4.200 10.796 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.568 11.667 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.193 9.145 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.615 9.681 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.676 7.559 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.645 8.082 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.592 8.777 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.953 9.818 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.766 7.752 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.215 9.466 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.307 8.199 -4.251 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.893 11.552 -3.940 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.101 11.738 -3.139 1.00 0.00 C ATOM 1230 C GLU A 77 -8.945 10.464 -3.032 1.00 0.00 C ATOM 1231 O GLU A 77 -10.131 10.452 -3.381 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.934 12.887 -3.701 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.197 14.211 -3.729 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.962 15.279 -4.458 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -8.786 15.405 -5.691 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.742 16.000 -3.813 1.00 0.00 O ATOM 0 H GLU A 77 -6.038 11.829 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.778 11.984 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.250 12.635 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.838 12.996 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.006 14.539 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.227 14.073 -4.206 1.00 0.00 H new ATOM 1243 N MET A 78 -8.340 9.390 -2.545 1.00 0.00 N ATOM 1244 CA MET A 78 -9.068 8.140 -2.351 1.00 0.00 C ATOM 1245 C MET A 78 -9.990 8.249 -1.146 1.00 0.00 C ATOM 1246 O MET A 78 -9.900 9.203 -0.363 1.00 0.00 O ATOM 1247 CB MET A 78 -8.112 6.951 -2.193 1.00 0.00 C ATOM 1248 CG MET A 78 -7.035 7.155 -1.149 1.00 0.00 C ATOM 1249 SD MET A 78 -6.051 5.669 -0.850 1.00 0.00 S ATOM 1250 CE MET A 78 -5.616 5.180 -2.516 1.00 0.00 C ATOM 0 H MET A 78 -7.356 9.356 -2.278 1.00 0.00 H new ATOM 0 HA MET A 78 -9.671 7.961 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.692 6.065 -1.933 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.638 6.750 -3.154 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.376 7.962 -1.468 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.498 7.472 -0.214 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.555 4.935 -2.558 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.202 4.307 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.826 6.000 -3.202 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.866 7.284 -0.986 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.840 7.320 0.088 1.00 0.00 C ATOM 1262 C GLU A 79 -11.336 6.609 1.322 1.00 0.00 C ATOM 1263 O GLU A 79 -10.353 5.865 1.275 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.148 6.692 -0.366 1.00 0.00 C ATOM 1265 CG GLU A 79 -13.762 7.383 -1.557 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.106 6.811 -1.926 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -16.070 7.016 -1.163 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -15.210 6.163 -2.985 1.00 0.00 O ATOM 0 H GLU A 79 -10.927 6.461 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.007 8.366 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.973 5.645 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.858 6.710 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.870 8.446 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.088 7.298 -2.410 1.00 0.00 H new ATOM 1275 N ASP A 80 -11.996 6.845 2.437 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.647 6.183 3.665 1.00 0.00 C ATOM 1277 C ASP A 80 -12.207 4.780 3.666 1.00 0.00 C ATOM 1278 O ASP A 80 -13.359 4.552 3.294 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.140 6.963 4.893 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.651 7.079 4.974 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.251 7.738 4.101 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.242 6.530 5.932 1.00 0.00 O ATOM 0 H ASP A 80 -12.779 7.494 2.512 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.560 6.137 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.773 6.474 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.708 7.963 4.875 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.362 3.844 4.044 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.684 2.425 4.106 1.00 0.00 C ATOM 1289 C GLU A 81 -11.718 1.816 2.710 1.00 0.00 C ATOM 1290 O GLU A 81 -12.235 0.713 2.507 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.985 2.155 4.874 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.972 2.697 6.296 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.066 2.110 7.151 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -13.867 1.006 7.704 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.133 2.745 7.283 1.00 0.00 O ATOM 0 H GLU A 81 -10.404 4.050 4.326 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.888 1.936 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.818 2.601 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.164 1.080 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.005 2.484 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.080 3.781 6.268 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.146 2.537 1.740 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.052 2.049 0.368 1.00 0.00 C ATOM 1304 C ASP A 82 -10.102 0.851 0.309 1.00 0.00 C ATOM 1305 O ASP A 82 -9.479 0.488 1.312 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.541 3.152 -0.557 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.179 3.094 -1.932 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.150 2.018 -2.560 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -11.710 4.135 -2.398 1.00 0.00 O ATOM 0 H ASP A 82 -10.741 3.462 1.884 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.045 1.744 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.743 4.124 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.459 3.066 -0.657 1.00 0.00 H new ATOM 1314 N THR A 83 -9.966 0.240 -0.845 1.00 0.00 N ATOM 1315 CA THR A 83 -9.127 -0.934 -0.969 1.00 0.00 C ATOM 1316 C THR A 83 -8.224 -0.853 -2.205 1.00 0.00 C ATOM 1317 O THR A 83 -8.566 -0.231 -3.207 1.00 0.00 O ATOM 1318 CB THR A 83 -9.984 -2.215 -1.034 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.110 -2.072 -0.162 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.179 -3.428 -0.590 1.00 0.00 C ATOM 0 H THR A 83 -10.422 0.533 -1.709 1.00 0.00 H new ATOM 0 HA THR A 83 -8.493 -0.972 -0.083 1.00 0.00 H new ATOM 0 HB THR A 83 -10.309 -2.361 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.659 -2.883 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.804 -4.319 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.315 -3.550 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.840 -3.284 0.436 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.067 -1.490 -2.120 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.097 -1.511 -3.200 1.00 0.00 C ATOM 1330 C ILE A 84 -5.818 -2.961 -3.572 1.00 0.00 C ATOM 1331 O ILE A 84 -5.731 -3.821 -2.697 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.757 -0.799 -2.796 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.937 0.723 -2.678 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.644 -1.115 -3.779 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.675 1.169 -1.441 1.00 0.00 C ATOM 0 H ILE A 84 -6.774 -2.010 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.511 -0.967 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.476 -1.188 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.954 1.195 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.474 1.082 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.731 -0.607 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.471 -2.191 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.930 -0.775 -4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.757 2.256 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.673 0.730 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.130 0.844 -0.555 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.695 -3.242 -4.856 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.459 -4.604 -5.319 1.00 0.00 C ATOM 1349 C ASP A 85 -3.985 -4.886 -5.413 1.00 0.00 C ATOM 1350 O ASP A 85 -3.209 -4.067 -5.919 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.086 -4.811 -6.678 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.020 -6.240 -7.165 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.218 -7.160 -6.356 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.789 -6.442 -8.379 1.00 0.00 O ATOM 0 H ASP A 85 -5.754 -2.547 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.910 -5.286 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.129 -4.497 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.586 -4.166 -7.401 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.588 -6.024 -4.921 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.214 -6.435 -4.962 1.00 0.00 C ATOM 1361 C VAL A 86 -2.051 -7.712 -5.747 1.00 0.00 C ATOM 1362 O VAL A 86 -2.813 -8.671 -5.596 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.618 -6.598 -3.538 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.436 -7.563 -3.528 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.180 -5.254 -3.018 1.00 0.00 C ATOM 0 H VAL A 86 -4.212 -6.697 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.660 -5.644 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.394 -7.013 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.046 -7.651 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.763 -8.542 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.347 -7.186 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.762 -5.369 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.423 -4.836 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.038 -4.583 -2.977 1.00 0.00 H new ATOM 1375 N PHE A 87 -1.054 -7.724 -6.580 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.733 -8.873 -7.388 1.00 0.00 C ATOM 1377 C PHE A 87 0.751 -9.097 -7.374 1.00 0.00 C ATOM 1378 O PHE A 87 1.531 -8.146 -7.288 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.251 -8.708 -8.819 1.00 0.00 C ATOM 1380 CG PHE A 87 -1.056 -7.330 -9.399 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.878 -6.285 -9.012 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -0.059 -7.084 -10.325 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.715 -5.027 -9.533 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.110 -5.819 -10.858 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.721 -4.788 -10.459 1.00 0.00 C ATOM 0 H PHE A 87 -0.431 -6.929 -6.723 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.228 -9.748 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.749 -9.433 -9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.314 -8.949 -8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.660 -6.464 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.594 -7.887 -10.635 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.365 -4.224 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.889 -5.637 -11.584 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.592 -3.798 -10.871 1.00 0.00 H new ATOM 1395 N GLN A 88 1.163 -10.339 -7.435 1.00 0.00 N ATOM 1396 CA GLN A 88 2.570 -10.648 -7.382 1.00 0.00 C ATOM 1397 C GLN A 88 3.036 -11.142 -8.728 1.00 0.00 C ATOM 1398 O GLN A 88 2.638 -12.215 -9.186 1.00 0.00 O ATOM 1399 CB GLN A 88 2.856 -11.700 -6.305 1.00 0.00 C ATOM 1400 CG GLN A 88 1.890 -11.653 -5.124 1.00 0.00 C ATOM 1401 CD GLN A 88 2.433 -12.308 -3.870 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.680 -12.912 -3.105 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.721 -12.136 -3.610 1.00 0.00 N ATOM 0 H GLN A 88 0.548 -11.148 -7.521 1.00 0.00 H new ATOM 0 HA GLN A 88 3.115 -9.740 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.813 -12.691 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.872 -11.562 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.647 -10.613 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.959 -12.145 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.311 -11.630 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.122 -12.510 -2.750 1.00 0.00 H new ATOM 1412 N GLN A 89 3.846 -10.352 -9.385 1.00 0.00 N ATOM 1413 CA GLN A 89 4.389 -10.718 -10.668 1.00 0.00 C ATOM 1414 C GLN A 89 5.807 -10.202 -10.800 1.00 0.00 C ATOM 1415 O GLN A 89 6.130 -9.135 -10.275 1.00 0.00 O ATOM 1416 CB GLN A 89 3.486 -10.210 -11.811 1.00 0.00 C ATOM 1417 CG GLN A 89 3.080 -8.747 -11.696 1.00 0.00 C ATOM 1418 CD GLN A 89 4.039 -7.805 -12.387 1.00 0.00 C ATOM 1419 OE1 GLN A 89 4.634 -8.133 -13.412 1.00 0.00 O ATOM 1420 NE2 GLN A 89 4.205 -6.631 -11.825 1.00 0.00 N ATOM 0 H GLN A 89 4.147 -9.438 -9.046 1.00 0.00 H new ATOM 0 HA GLN A 89 4.420 -11.805 -10.742 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.005 -10.356 -12.758 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.585 -10.822 -11.844 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.085 -8.619 -12.122 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.013 -8.477 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.693 -6.396 -10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.846 -5.954 -12.238 1.00 0.00 H new ATOM 1429 N GLN A 90 6.656 -10.978 -11.479 1.00 0.00 N ATOM 1430 CA GLN A 90 8.072 -10.652 -11.673 1.00 0.00 C ATOM 1431 C GLN A 90 8.859 -10.835 -10.381 1.00 0.00 C ATOM 1432 O GLN A 90 8.868 -9.977 -9.504 1.00 0.00 O ATOM 1433 CB GLN A 90 8.267 -9.238 -12.241 1.00 0.00 C ATOM 1434 CG GLN A 90 7.596 -9.023 -13.585 1.00 0.00 C ATOM 1435 CD GLN A 90 8.089 -9.981 -14.648 1.00 0.00 C ATOM 1436 OE1 GLN A 90 9.252 -10.393 -14.644 1.00 0.00 O ATOM 1437 NE2 GLN A 90 7.207 -10.363 -15.544 1.00 0.00 N ATOM 0 H GLN A 90 6.378 -11.858 -11.913 1.00 0.00 H new ATOM 0 HA GLN A 90 8.462 -11.352 -12.412 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.874 -8.512 -11.529 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.334 -9.040 -12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.518 -9.139 -13.470 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.774 -7.999 -13.915 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.255 -9.998 -15.511 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.474 -11.025 -16.273 1.00 0.00 H new ATOM 1446 N THR A 91 9.521 -11.969 -10.266 1.00 0.00 N ATOM 1447 CA THR A 91 10.287 -12.297 -9.084 1.00 0.00 C ATOM 1448 C THR A 91 11.754 -12.524 -9.477 1.00 0.00 C ATOM 1449 O THR A 91 12.552 -13.099 -8.728 1.00 0.00 O ATOM 1450 CB THR A 91 9.696 -13.568 -8.397 1.00 0.00 C ATOM 1451 OG1 THR A 91 10.322 -13.809 -7.129 1.00 0.00 O ATOM 1452 CG2 THR A 91 9.857 -14.800 -9.285 1.00 0.00 C ATOM 0 H THR A 91 9.542 -12.687 -10.990 1.00 0.00 H new ATOM 0 HA THR A 91 10.234 -11.472 -8.374 1.00 0.00 H new ATOM 0 HB THR A 91 8.634 -13.383 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.691 -12.970 -6.781 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.436 -15.670 -8.780 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.334 -14.640 -10.228 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.915 -14.971 -9.481 1.00 0.00 H new ATOM 1460 N GLY A 92 12.110 -12.042 -10.657 1.00 0.00 N ATOM 1461 CA GLY A 92 13.449 -12.214 -11.166 1.00 0.00 C ATOM 1462 C GLY A 92 13.566 -13.441 -12.041 1.00 0.00 C ATOM 1463 O GLY A 92 14.039 -13.369 -13.179 1.00 0.00 O ATOM 0 H GLY A 92 11.484 -11.528 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.736 -11.332 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.147 -12.295 -10.332 1.00 0.00 H new ATOM 1467 N GLY A 93 13.136 -14.572 -11.523 1.00 0.00 N ATOM 1468 CA GLY A 93 13.181 -15.797 -12.271 1.00 0.00 C ATOM 1469 C GLY A 93 12.784 -16.967 -11.422 1.00 0.00 C ATOM 1470 O GLY A 93 12.973 -16.895 -10.195 1.00 0.00 O ATOM 1471 OXT GLY A 93 12.288 -17.966 -11.968 1.00 0.00 O ATOM 0 H GLY A 93 12.751 -14.662 -10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.515 -15.726 -13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.187 -15.952 -12.660 1.00 0.00 H new TER 1475 GLY A 93