USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= -10.2! C(o=-14!,f=-16!) USER MOD Set 1.2: A 92 THR OG1 : rot -129:sc= -3.79! USER MOD Single : A 1 VAL N :NH3+ 162:sc= -1.82 (180deg=-2.74!) USER MOD Single : A 2 THR OG1 : rot -4:sc= -0.857 USER MOD Single : A 7 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.5!) USER MOD Single : A 9 SER OG : rot -1:sc= 0.743 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 101:sc= 0.062 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= 0.304 (180deg=-0.0472) USER MOD Single : A 34 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.8!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.1!) USER MOD Single : A 52 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.005) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 82 THR OG1 : rot -130:sc= -2.87! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.331 -12.280 0.046 1.00 0.00 N ATOM 2 CA VAL A 1 -1.326 -11.840 1.056 1.00 0.00 C ATOM 3 C VAL A 1 -2.022 -11.137 2.225 1.00 0.00 C ATOM 4 O VAL A 1 -2.406 -9.988 2.129 1.00 0.00 O ATOM 5 CB VAL A 1 -0.416 -10.864 0.309 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.542 -11.646 -0.591 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.267 -9.924 -0.547 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.854 -12.472 -0.858 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.802 -13.145 0.379 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.039 -11.530 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.769 -12.678 1.476 1.00 0.00 H new ATOM 0 HB VAL A 1 0.157 -10.280 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.191 -10.950 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.150 -12.315 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.031 -12.231 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.618 -9.229 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.841 -10.507 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.949 -9.365 0.094 1.00 0.00 H new ATOM 19 N THR A 2 -2.190 -11.817 3.327 1.00 0.00 N ATOM 20 CA THR A 2 -2.865 -11.180 4.496 1.00 0.00 C ATOM 21 C THR A 2 -1.965 -11.231 5.732 1.00 0.00 C ATOM 22 O THR A 2 -1.037 -12.015 5.811 1.00 0.00 O ATOM 23 CB THR A 2 -4.129 -12.007 4.732 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.990 -11.306 5.619 1.00 0.00 O ATOM 25 CG2 THR A 2 -3.754 -13.357 5.344 1.00 0.00 C ATOM 0 H THR A 2 -1.891 -12.782 3.469 1.00 0.00 H new ATOM 0 HA THR A 2 -3.089 -10.130 4.308 1.00 0.00 H new ATOM 0 HB THR A 2 -4.638 -12.172 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.548 -10.487 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.657 -13.944 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.093 -13.894 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.244 -13.197 6.294 1.00 0.00 H new ATOM 33 N VAL A 3 -2.245 -10.405 6.701 1.00 0.00 N ATOM 34 CA VAL A 3 -1.426 -10.400 7.945 1.00 0.00 C ATOM 35 C VAL A 3 -2.051 -11.345 8.973 1.00 0.00 C ATOM 36 O VAL A 3 -3.185 -11.173 9.378 1.00 0.00 O ATOM 37 CB VAL A 3 -1.470 -8.955 8.444 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.786 -8.867 9.810 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.745 -8.049 7.448 1.00 0.00 C ATOM 0 H VAL A 3 -3.010 -9.730 6.685 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.403 -10.736 7.776 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.507 -8.633 8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.817 -7.837 10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.305 -9.512 10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.251 -9.189 9.719 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.776 -7.019 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.293 -8.369 7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.234 -8.112 6.476 1.00 0.00 H new ATOM 49 N GLN A 4 -1.330 -12.348 9.391 1.00 0.00 N ATOM 50 CA GLN A 4 -1.899 -13.304 10.383 1.00 0.00 C ATOM 51 C GLN A 4 -1.206 -13.156 11.739 1.00 0.00 C ATOM 52 O GLN A 4 0.004 -13.085 11.826 1.00 0.00 O ATOM 53 CB GLN A 4 -1.625 -14.689 9.803 1.00 0.00 C ATOM 54 CG GLN A 4 -2.123 -14.751 8.359 1.00 0.00 C ATOM 55 CD GLN A 4 -2.326 -16.212 7.957 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.659 -17.092 8.466 1.00 0.00 O ATOM 57 NE2 GLN A 4 -3.225 -16.512 7.060 1.00 0.00 N ATOM 0 H GLN A 4 -0.376 -12.547 9.091 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.961 -13.127 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.557 -14.904 9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.124 -15.450 10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.059 -14.201 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.403 -14.275 7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.785 -15.774 6.633 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.368 -17.484 6.786 1.00 0.00 H new ATOM 66 N ASP A 5 -1.965 -13.130 12.798 1.00 0.00 N ATOM 67 CA ASP A 5 -1.354 -13.012 14.151 1.00 0.00 C ATOM 68 C ASP A 5 -1.408 -14.373 14.848 1.00 0.00 C ATOM 69 O ASP A 5 -1.159 -14.492 16.031 1.00 0.00 O ATOM 70 CB ASP A 5 -2.216 -11.989 14.891 1.00 0.00 C ATOM 71 CG ASP A 5 -2.128 -10.639 14.176 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.122 -10.397 13.530 1.00 0.00 O ATOM 73 OD2 ASP A 5 -3.069 -9.871 14.287 1.00 0.00 O ATOM 0 H ASP A 5 -2.983 -13.185 12.785 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.310 -12.702 14.119 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.252 -12.327 14.927 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.877 -11.890 15.922 1.00 0.00 H new ATOM 78 N GLY A 6 -1.740 -15.401 14.112 1.00 0.00 N ATOM 79 CA GLY A 6 -1.821 -16.761 14.709 1.00 0.00 C ATOM 80 C GLY A 6 -2.318 -17.747 13.647 1.00 0.00 C ATOM 81 O GLY A 6 -1.829 -17.774 12.534 1.00 0.00 O ATOM 0 H GLY A 6 -1.959 -15.354 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.843 -17.068 15.078 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.497 -16.757 15.564 1.00 0.00 H new ATOM 85 N ASN A 7 -3.284 -18.557 13.980 1.00 0.00 N ATOM 86 CA ASN A 7 -3.808 -19.543 12.988 1.00 0.00 C ATOM 87 C ASN A 7 -4.954 -18.931 12.174 1.00 0.00 C ATOM 88 O ASN A 7 -5.639 -19.617 11.441 1.00 0.00 O ATOM 89 CB ASN A 7 -4.317 -20.714 13.828 1.00 0.00 C ATOM 90 CG ASN A 7 -3.148 -21.349 14.582 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.000 -21.099 14.270 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.392 -22.166 15.569 1.00 0.00 N ATOM 0 H ASN A 7 -3.734 -18.581 14.895 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.044 -19.850 12.273 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.073 -20.368 14.533 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.795 -21.455 13.187 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.620 -22.595 16.079 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.355 -22.376 15.831 1.00 0.00 H new ATOM 99 N PHE A 8 -5.170 -17.649 12.291 1.00 0.00 N ATOM 100 CA PHE A 8 -6.275 -17.007 11.520 1.00 0.00 C ATOM 101 C PHE A 8 -5.707 -16.015 10.498 1.00 0.00 C ATOM 102 O PHE A 8 -4.624 -15.489 10.665 1.00 0.00 O ATOM 103 CB PHE A 8 -7.117 -16.277 12.569 1.00 0.00 C ATOM 104 CG PHE A 8 -7.649 -17.277 13.569 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.851 -17.949 13.315 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.941 -17.529 14.750 1.00 0.00 C ATOM 107 CE1 PHE A 8 -9.342 -18.875 14.242 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.433 -18.456 15.677 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.634 -19.129 15.423 1.00 0.00 C ATOM 0 H PHE A 8 -4.631 -17.019 12.885 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.862 -17.734 10.959 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.514 -15.524 13.076 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.943 -15.752 12.088 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.398 -17.753 12.405 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.015 -17.008 14.946 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.268 -19.395 14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.886 -18.652 16.588 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.014 -19.844 16.138 1.00 0.00 H new ATOM 119 N SER A 9 -6.430 -15.757 9.442 1.00 0.00 N ATOM 120 CA SER A 9 -5.934 -14.800 8.408 1.00 0.00 C ATOM 121 C SER A 9 -6.683 -13.468 8.517 1.00 0.00 C ATOM 122 O SER A 9 -7.893 -13.416 8.419 1.00 0.00 O ATOM 123 CB SER A 9 -6.236 -15.476 7.069 1.00 0.00 C ATOM 124 OG SER A 9 -7.633 -15.440 6.826 1.00 0.00 O ATOM 0 H SER A 9 -7.344 -16.167 9.249 1.00 0.00 H new ATOM 0 HA SER A 9 -4.873 -14.578 8.524 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.703 -14.969 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.885 -16.508 7.083 1.00 0.00 H new ATOM 0 HG SER A 9 -8.085 -15.008 7.580 1.00 0.00 H new ATOM 130 N PHE A 10 -5.975 -12.392 8.730 1.00 0.00 N ATOM 131 CA PHE A 10 -6.652 -11.069 8.856 1.00 0.00 C ATOM 132 C PHE A 10 -6.171 -10.111 7.760 1.00 0.00 C ATOM 133 O PHE A 10 -4.986 -9.912 7.571 1.00 0.00 O ATOM 134 CB PHE A 10 -6.241 -10.549 10.234 1.00 0.00 C ATOM 135 CG PHE A 10 -6.669 -11.532 11.297 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.827 -12.301 11.119 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.911 -11.671 12.465 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.224 -13.208 12.111 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.307 -12.578 13.454 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.464 -13.346 13.277 1.00 0.00 C ATOM 0 H PHE A 10 -4.959 -12.371 8.822 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.734 -11.150 8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.161 -10.405 10.272 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.699 -9.577 10.418 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.413 -12.195 10.218 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.019 -11.078 12.603 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.117 -13.800 11.975 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.720 -12.686 14.354 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.770 -14.045 14.041 1.00 0.00 H new ATOM 150 N SER A 11 -7.080 -9.515 7.037 1.00 0.00 N ATOM 151 CA SER A 11 -6.676 -8.569 5.956 1.00 0.00 C ATOM 152 C SER A 11 -6.109 -7.280 6.559 1.00 0.00 C ATOM 153 O SER A 11 -6.260 -7.014 7.735 1.00 0.00 O ATOM 154 CB SER A 11 -7.963 -8.280 5.181 1.00 0.00 C ATOM 155 OG SER A 11 -8.519 -9.500 4.715 1.00 0.00 O ATOM 0 H SER A 11 -8.086 -9.642 7.148 1.00 0.00 H new ATOM 0 HA SER A 11 -5.898 -8.985 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.678 -7.764 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.753 -7.619 4.340 1.00 0.00 H new ATOM 0 HG SER A 11 -9.344 -9.315 4.220 1.00 0.00 H new ATOM 161 N LEU A 12 -5.452 -6.481 5.762 1.00 0.00 N ATOM 162 CA LEU A 12 -4.869 -5.211 6.289 1.00 0.00 C ATOM 163 C LEU A 12 -5.817 -4.038 6.020 1.00 0.00 C ATOM 164 O LEU A 12 -5.611 -2.938 6.495 1.00 0.00 O ATOM 165 CB LEU A 12 -3.563 -5.026 5.513 1.00 0.00 C ATOM 166 CG LEU A 12 -2.619 -6.195 5.805 1.00 0.00 C ATOM 167 CD1 LEU A 12 -3.108 -7.446 5.071 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.208 -5.845 5.324 1.00 0.00 C ATOM 0 H LEU A 12 -5.293 -6.652 4.769 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.707 -5.249 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.769 -4.970 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.091 -4.085 5.796 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.603 -6.386 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.435 -8.277 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.112 -7.698 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.126 -7.255 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.536 -6.677 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.227 -5.653 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.856 -4.955 5.846 1.00 0.00 H new ATOM 180 N GLU A 13 -6.849 -4.263 5.253 1.00 0.00 N ATOM 181 CA GLU A 13 -7.805 -3.159 4.942 1.00 0.00 C ATOM 182 C GLU A 13 -8.638 -2.792 6.176 1.00 0.00 C ATOM 183 O GLU A 13 -8.471 -1.736 6.752 1.00 0.00 O ATOM 184 CB GLU A 13 -8.702 -3.713 3.834 1.00 0.00 C ATOM 185 CG GLU A 13 -9.598 -2.593 3.301 1.00 0.00 C ATOM 186 CD GLU A 13 -10.558 -3.161 2.253 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.504 -4.356 2.015 1.00 0.00 O ATOM 188 OE2 GLU A 13 -11.330 -2.391 1.708 1.00 0.00 O ATOM 0 H GLU A 13 -7.072 -5.163 4.828 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.288 -2.249 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.093 -4.122 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.312 -4.530 4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.161 -2.143 4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.988 -1.804 2.861 1.00 0.00 H new ATOM 195 N SER A 14 -9.539 -3.646 6.579 1.00 0.00 N ATOM 196 CA SER A 14 -10.384 -3.329 7.770 1.00 0.00 C ATOM 197 C SER A 14 -9.531 -2.742 8.897 1.00 0.00 C ATOM 198 O SER A 14 -9.861 -1.724 9.474 1.00 0.00 O ATOM 199 CB SER A 14 -10.985 -4.665 8.205 1.00 0.00 C ATOM 200 OG SER A 14 -11.481 -5.357 7.070 1.00 0.00 O ATOM 0 H SER A 14 -9.728 -4.546 6.138 1.00 0.00 H new ATOM 0 HA SER A 14 -11.150 -2.591 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.230 -5.268 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.789 -4.497 8.921 1.00 0.00 H new ATOM 0 HG SER A 14 -10.839 -6.047 6.801 1.00 0.00 H new ATOM 206 N VAL A 15 -8.436 -3.373 9.217 1.00 0.00 N ATOM 207 CA VAL A 15 -7.572 -2.846 10.309 1.00 0.00 C ATOM 208 C VAL A 15 -7.098 -1.429 9.975 1.00 0.00 C ATOM 209 O VAL A 15 -7.177 -0.533 10.792 1.00 0.00 O ATOM 210 CB VAL A 15 -6.399 -3.818 10.400 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.900 -5.138 10.987 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.813 -4.062 9.007 1.00 0.00 C ATOM 0 H VAL A 15 -8.103 -4.228 8.771 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.102 -2.776 11.259 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.622 -3.398 11.038 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.071 -5.843 11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.312 -4.961 11.981 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.675 -5.552 10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.976 -4.757 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.580 -4.485 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.465 -3.118 8.588 1.00 0.00 H new ATOM 222 N LYS A 16 -6.618 -1.206 8.782 1.00 0.00 N ATOM 223 CA LYS A 16 -6.165 0.168 8.423 1.00 0.00 C ATOM 224 C LYS A 16 -7.321 1.144 8.628 1.00 0.00 C ATOM 225 O LYS A 16 -7.211 2.109 9.358 1.00 0.00 O ATOM 226 CB LYS A 16 -5.779 0.092 6.945 1.00 0.00 C ATOM 227 CG LYS A 16 -5.502 1.502 6.417 1.00 0.00 C ATOM 228 CD LYS A 16 -5.370 1.455 4.893 1.00 0.00 C ATOM 229 CE LYS A 16 -5.255 2.880 4.344 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.604 3.184 3.790 1.00 0.00 N ATOM 0 H LYS A 16 -6.520 -1.907 8.048 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.330 0.511 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.896 -0.535 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.582 -0.371 6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.310 2.175 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.588 1.896 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.492 0.874 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.236 0.955 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.981 3.585 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.487 2.946 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.608 4.146 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.834 2.500 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.313 3.119 4.548 1.00 0.00 H new ATOM 244 N LYS A 17 -8.438 0.885 8.008 1.00 0.00 N ATOM 245 CA LYS A 17 -9.615 1.778 8.183 1.00 0.00 C ATOM 246 C LYS A 17 -10.320 1.434 9.499 1.00 0.00 C ATOM 247 O LYS A 17 -11.414 1.888 9.770 1.00 0.00 O ATOM 248 CB LYS A 17 -10.520 1.475 6.989 1.00 0.00 C ATOM 249 CG LYS A 17 -11.626 2.527 6.906 1.00 0.00 C ATOM 250 CD LYS A 17 -11.059 3.812 6.301 1.00 0.00 C ATOM 251 CE LYS A 17 -12.196 4.810 6.073 1.00 0.00 C ATOM 252 NZ LYS A 17 -12.417 4.800 4.601 1.00 0.00 N ATOM 0 H LYS A 17 -8.586 0.090 7.386 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.346 2.833 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.936 1.473 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.956 0.481 7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.450 2.157 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.029 2.726 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.311 4.242 6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.558 3.593 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.097 4.514 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.926 5.805 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.184 5.460 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.544 5.092 4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.678 3.841 4.296 1.00 0.00 H new ATOM 266 N LEU A 18 -9.693 0.630 10.316 1.00 0.00 N ATOM 267 CA LEU A 18 -10.301 0.240 11.619 1.00 0.00 C ATOM 268 C LEU A 18 -10.639 1.480 12.450 1.00 0.00 C ATOM 269 O LEU A 18 -11.707 1.582 13.020 1.00 0.00 O ATOM 270 CB LEU A 18 -9.211 -0.589 12.302 1.00 0.00 C ATOM 271 CG LEU A 18 -9.707 -1.111 13.650 1.00 0.00 C ATOM 272 CD1 LEU A 18 -10.982 -1.925 13.442 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.631 -2.008 14.273 1.00 0.00 C ATOM 0 H LEU A 18 -8.776 0.223 10.133 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.234 -0.310 11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.927 -1.425 11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.318 0.020 12.446 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.914 -0.270 14.312 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.337 -2.298 14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.748 -1.293 12.993 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.773 -2.766 12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.981 -2.382 15.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.428 -2.848 13.609 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.717 -1.432 14.419 1.00 0.00 H new ATOM 285 N LYS A 19 -9.741 2.424 12.528 1.00 0.00 N ATOM 286 CA LYS A 19 -10.026 3.649 13.331 1.00 0.00 C ATOM 287 C LYS A 19 -11.304 4.324 12.829 1.00 0.00 C ATOM 288 O LYS A 19 -12.162 4.702 13.603 1.00 0.00 O ATOM 289 CB LYS A 19 -8.819 4.562 13.119 1.00 0.00 C ATOM 290 CG LYS A 19 -8.961 5.805 14.001 1.00 0.00 C ATOM 291 CD LYS A 19 -7.752 6.719 13.798 1.00 0.00 C ATOM 292 CE LYS A 19 -7.829 7.892 14.779 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.590 7.785 15.600 1.00 0.00 N ATOM 0 H LYS A 19 -8.828 2.402 12.074 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.179 3.421 14.386 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.900 4.031 13.365 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.748 4.852 12.071 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.878 6.338 13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.037 5.513 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.830 6.160 13.955 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.730 7.089 12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.873 8.845 14.253 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.722 7.829 15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.229 8.738 15.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.805 7.293 16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.870 7.250 15.074 1.00 0.00 H new ATOM 307 N ASP A 20 -11.440 4.477 11.542 1.00 0.00 N ATOM 308 CA ASP A 20 -12.665 5.126 10.992 1.00 0.00 C ATOM 309 C ASP A 20 -13.578 4.076 10.353 1.00 0.00 C ATOM 310 O ASP A 20 -13.183 3.365 9.452 1.00 0.00 O ATOM 311 CB ASP A 20 -12.153 6.105 9.935 1.00 0.00 C ATOM 312 CG ASP A 20 -13.326 6.920 9.383 1.00 0.00 C ATOM 313 OD1 ASP A 20 -13.665 7.921 9.994 1.00 0.00 O ATOM 314 OD2 ASP A 20 -13.864 6.529 8.361 1.00 0.00 O ATOM 0 H ASP A 20 -10.756 4.181 10.846 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.249 5.627 11.764 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.407 6.770 10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.662 5.561 9.128 1.00 0.00 H new ATOM 319 N LEU A 21 -14.796 3.975 10.810 1.00 0.00 N ATOM 320 CA LEU A 21 -15.729 2.970 10.222 1.00 0.00 C ATOM 321 C LEU A 21 -16.279 3.481 8.888 1.00 0.00 C ATOM 322 O LEU A 21 -16.625 4.637 8.750 1.00 0.00 O ATOM 323 CB LEU A 21 -16.853 2.821 11.247 1.00 0.00 C ATOM 324 CG LEU A 21 -16.271 2.318 12.568 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.347 2.374 13.655 1.00 0.00 C ATOM 326 CD2 LEU A 21 -15.792 0.874 12.400 1.00 0.00 C ATOM 0 H LEU A 21 -15.185 4.543 11.563 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.238 2.018 10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.352 3.778 11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.606 2.124 10.879 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.430 2.949 12.856 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.932 2.015 14.597 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.688 3.402 13.777 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -18.189 1.745 13.366 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.377 0.516 13.342 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.633 0.243 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.025 0.833 11.627 1.00 0.00 H new ATOM 518 N ARG A 33 -2.601 -0.170 0.424 1.00 0.00 N ATOM 519 CA ARG A 33 -3.014 -0.045 1.852 1.00 0.00 C ATOM 520 C ARG A 33 -1.914 0.654 2.657 1.00 0.00 C ATOM 521 O ARG A 33 -0.941 0.044 3.052 1.00 0.00 O ATOM 522 CB ARG A 33 -3.200 -1.483 2.340 1.00 0.00 C ATOM 523 CG ARG A 33 -4.277 -2.174 1.500 1.00 0.00 C ATOM 524 CD ARG A 33 -4.528 -3.577 2.054 1.00 0.00 C ATOM 525 NE ARG A 33 -5.393 -4.240 1.038 1.00 0.00 N ATOM 526 CZ ARG A 33 -5.040 -5.389 0.530 1.00 0.00 C ATOM 527 NH1 ARG A 33 -5.781 -6.445 0.729 1.00 0.00 N ATOM 528 NH2 ARG A 33 -3.946 -5.483 -0.174 1.00 0.00 N ATOM 0 HA ARG A 33 -3.923 0.545 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.259 -2.028 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.486 -1.487 3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.199 -1.592 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.960 -2.233 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.593 -4.120 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.020 -3.536 3.026 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.261 -3.796 0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.635 -6.372 1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.506 -7.343 0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.366 -4.658 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.671 -6.381 -0.571 1.00 0.00 H new ATOM 542 N ASN A 34 -2.059 1.928 2.902 1.00 0.00 N ATOM 543 CA ASN A 34 -1.016 2.656 3.680 1.00 0.00 C ATOM 544 C ASN A 34 -1.665 3.628 4.669 1.00 0.00 C ATOM 545 O ASN A 34 -2.871 3.777 4.710 1.00 0.00 O ATOM 546 CB ASN A 34 -0.203 3.419 2.634 1.00 0.00 C ATOM 547 CG ASN A 34 0.411 2.430 1.642 1.00 0.00 C ATOM 548 OD1 ASN A 34 0.881 1.377 2.027 1.00 0.00 O ATOM 549 ND2 ASN A 34 0.427 2.723 0.371 1.00 0.00 N ATOM 0 H ASN A 34 -2.851 2.494 2.599 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.396 1.979 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.842 4.128 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.583 3.998 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.833 2.069 -0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.033 3.606 0.046 1.00 0.00 H new ATOM 619 N PRO A 39 0.020 2.039 15.745 1.00 0.00 N ATOM 620 CA PRO A 39 -0.116 1.297 17.021 1.00 0.00 C ATOM 621 C PRO A 39 -0.306 2.267 18.190 1.00 0.00 C ATOM 622 O PRO A 39 -0.082 3.455 18.067 1.00 0.00 O ATOM 623 CB PRO A 39 1.220 0.558 17.127 1.00 0.00 C ATOM 624 CG PRO A 39 2.079 0.909 15.895 1.00 0.00 C ATOM 625 CD PRO A 39 1.287 1.867 14.996 1.00 0.00 C ATOM 0 HA PRO A 39 -0.977 0.630 17.050 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.738 0.844 18.043 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.054 -0.518 17.177 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.015 1.372 16.207 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.339 0.004 15.346 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.807 2.815 14.856 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.118 1.446 14.005 1.00 0.00 H new ATOM 633 N GLY A 40 -0.719 1.769 19.323 1.00 0.00 N ATOM 634 CA GLY A 40 -0.924 2.660 20.498 1.00 0.00 C ATOM 635 C GLY A 40 -2.422 2.889 20.705 1.00 0.00 C ATOM 636 O GLY A 40 -2.835 3.568 21.624 1.00 0.00 O ATOM 0 H GLY A 40 -0.923 0.783 19.485 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.487 2.211 21.390 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.418 3.612 20.339 1.00 0.00 H new ATOM 640 N GLU A 41 -3.241 2.328 19.857 1.00 0.00 N ATOM 641 CA GLU A 41 -4.713 2.514 20.008 1.00 0.00 C ATOM 642 C GLU A 41 -5.430 1.165 19.892 1.00 0.00 C ATOM 643 O GLU A 41 -6.037 0.871 18.882 1.00 0.00 O ATOM 644 CB GLU A 41 -5.115 3.438 18.857 1.00 0.00 C ATOM 645 CG GLU A 41 -5.679 4.743 19.424 1.00 0.00 C ATOM 646 CD GLU A 41 -5.795 5.779 18.304 1.00 0.00 C ATOM 647 OE1 GLU A 41 -4.962 5.754 17.413 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.713 6.580 18.357 1.00 0.00 O ATOM 0 H GLU A 41 -2.955 1.750 19.067 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.980 2.933 20.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.252 3.647 18.225 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.860 2.950 18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.657 4.565 19.871 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.030 5.118 20.215 1.00 0.00 H new ATOM 655 N PRO A 42 -5.335 0.388 20.939 1.00 0.00 N ATOM 656 CA PRO A 42 -5.981 -0.944 20.966 1.00 0.00 C ATOM 657 C PRO A 42 -7.499 -0.802 20.824 1.00 0.00 C ATOM 658 O PRO A 42 -8.095 0.122 21.341 1.00 0.00 O ATOM 659 CB PRO A 42 -5.606 -1.472 22.352 1.00 0.00 C ATOM 660 CG PRO A 42 -4.751 -0.411 23.073 1.00 0.00 C ATOM 661 CD PRO A 42 -4.581 0.800 22.145 1.00 0.00 C ATOM 0 HA PRO A 42 -5.666 -1.603 20.157 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.505 -1.688 22.929 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.052 -2.406 22.263 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.230 -0.109 24.004 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.778 -0.825 23.335 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.988 1.710 22.587 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.532 0.995 21.921 1.00 0.00 H new ATOM 669 N VAL A 43 -8.128 -1.707 20.128 1.00 0.00 N ATOM 670 CA VAL A 43 -9.605 -1.616 19.959 1.00 0.00 C ATOM 671 C VAL A 43 -10.299 -2.719 20.759 1.00 0.00 C ATOM 672 O VAL A 43 -11.168 -3.409 20.264 1.00 0.00 O ATOM 673 CB VAL A 43 -9.846 -1.800 18.461 1.00 0.00 C ATOM 674 CG1 VAL A 43 -8.997 -0.792 17.684 1.00 0.00 C ATOM 675 CG2 VAL A 43 -9.456 -3.220 18.051 1.00 0.00 C ATOM 0 H VAL A 43 -7.685 -2.504 19.670 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.004 -0.668 20.320 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.901 -1.637 18.239 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.167 -0.921 16.615 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.276 0.220 17.976 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.943 -0.956 17.906 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.628 -3.350 16.983 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.401 -3.386 18.272 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.060 -3.938 18.606 1.00 0.00 H new ATOM 685 N VAL A 44 -9.925 -2.879 21.996 1.00 0.00 N ATOM 686 CA VAL A 44 -10.564 -3.929 22.840 1.00 0.00 C ATOM 687 C VAL A 44 -10.531 -3.529 24.321 1.00 0.00 C ATOM 688 O VAL A 44 -10.156 -4.322 25.162 1.00 0.00 O ATOM 689 CB VAL A 44 -9.725 -5.187 22.615 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.264 -6.318 23.492 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.802 -5.600 21.143 1.00 0.00 C ATOM 0 H VAL A 44 -9.204 -2.328 22.461 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.611 -4.078 22.576 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.687 -4.984 22.878 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.668 -7.217 23.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.207 -6.024 24.540 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.302 -6.520 23.228 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.203 -6.497 20.985 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.839 -5.804 20.876 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.419 -4.793 20.518 1.00 0.00 H new ATOM 753 N CYS A 48 -14.943 -5.492 22.505 1.00 0.00 N ATOM 754 CA CYS A 48 -14.982 -5.111 21.062 1.00 0.00 C ATOM 755 C CYS A 48 -15.319 -3.625 20.920 1.00 0.00 C ATOM 756 O CYS A 48 -16.460 -3.223 21.026 1.00 0.00 O ATOM 757 CB CYS A 48 -16.083 -5.978 20.452 1.00 0.00 C ATOM 758 SG CYS A 48 -15.587 -7.717 20.523 1.00 0.00 S ATOM 0 HA CYS A 48 -14.024 -5.267 20.565 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.018 -5.833 20.994 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.264 -5.682 19.419 1.00 0.00 H new ATOM 763 N SER A 49 -14.330 -2.804 20.689 1.00 0.00 N ATOM 764 CA SER A 49 -14.588 -1.341 20.550 1.00 0.00 C ATOM 765 C SER A 49 -15.426 -1.051 19.304 1.00 0.00 C ATOM 766 O SER A 49 -16.591 -0.722 19.394 1.00 0.00 O ATOM 767 CB SER A 49 -13.201 -0.708 20.424 1.00 0.00 C ATOM 768 OG SER A 49 -13.316 0.703 20.526 1.00 0.00 O ATOM 0 H SER A 49 -13.354 -3.083 20.590 1.00 0.00 H new ATOM 0 HA SER A 49 -15.148 -0.944 21.397 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.543 -1.088 21.206 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.751 -0.979 19.469 1.00 0.00 H new ATOM 0 HG SER A 49 -12.428 1.110 20.447 1.00 0.00 H new ATOM 774 N ASN A 50 -14.839 -1.161 18.145 1.00 0.00 N ATOM 775 CA ASN A 50 -15.597 -0.881 16.892 1.00 0.00 C ATOM 776 C ASN A 50 -16.503 -2.064 16.535 1.00 0.00 C ATOM 777 O ASN A 50 -16.022 -3.124 16.184 1.00 0.00 O ATOM 778 CB ASN A 50 -14.523 -0.692 15.820 1.00 0.00 C ATOM 779 CG ASN A 50 -14.186 0.794 15.688 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.659 1.608 16.456 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.381 1.184 14.738 1.00 0.00 N ATOM 0 H ASN A 50 -13.865 -1.433 18.010 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.243 -0.009 16.990 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.628 -1.256 16.084 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.876 -1.082 14.865 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.149 2.172 14.640 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.984 0.500 14.093 1.00 0.00 H new ATOM 788 N PRO A 51 -17.790 -1.846 16.626 1.00 0.00 N ATOM 789 CA PRO A 51 -18.768 -2.908 16.296 1.00 0.00 C ATOM 790 C PRO A 51 -18.680 -3.250 14.808 1.00 0.00 C ATOM 791 O PRO A 51 -19.271 -4.203 14.341 1.00 0.00 O ATOM 792 CB PRO A 51 -20.108 -2.247 16.629 1.00 0.00 C ATOM 793 CG PRO A 51 -19.841 -0.817 17.139 1.00 0.00 C ATOM 794 CD PRO A 51 -18.335 -0.538 17.059 1.00 0.00 C ATOM 0 HA PRO A 51 -18.609 -3.843 16.834 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.746 -2.220 15.746 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.637 -2.826 17.386 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.392 -0.093 16.538 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.191 -0.711 18.166 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.106 0.253 16.345 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.928 -0.227 18.021 1.00 0.00 H new ATOM 802 N ASN A 52 -17.944 -2.472 14.061 1.00 0.00 N ATOM 803 CA ASN A 52 -17.813 -2.741 12.603 1.00 0.00 C ATOM 804 C ASN A 52 -16.349 -3.007 12.242 1.00 0.00 C ATOM 805 O ASN A 52 -15.926 -2.781 11.127 1.00 0.00 O ATOM 806 CB ASN A 52 -18.312 -1.468 11.920 1.00 0.00 C ATOM 807 CG ASN A 52 -19.809 -1.300 12.183 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.477 -2.236 12.577 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.368 -0.139 11.982 1.00 0.00 N ATOM 0 H ASN A 52 -17.427 -1.660 14.400 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.379 -3.619 12.293 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.767 -0.603 12.297 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.124 -1.521 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.366 -0.016 12.155 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.808 0.646 11.651 1.00 0.00 H new ATOM 816 N PHE A 53 -15.574 -3.495 13.173 1.00 0.00 N ATOM 817 CA PHE A 53 -14.145 -3.784 12.867 1.00 0.00 C ATOM 818 C PHE A 53 -14.054 -5.120 12.132 1.00 0.00 C ATOM 819 O PHE A 53 -15.047 -5.801 11.982 1.00 0.00 O ATOM 820 CB PHE A 53 -13.438 -3.849 14.229 1.00 0.00 C ATOM 821 CG PHE A 53 -13.551 -5.237 14.824 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.797 -5.871 14.905 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.405 -5.885 15.304 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.896 -7.151 15.464 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.505 -7.166 15.864 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.750 -7.798 15.943 1.00 0.00 C ATOM 0 H PHE A 53 -15.867 -3.705 14.127 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.686 -3.029 12.229 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.388 -3.582 14.112 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.879 -3.119 14.908 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.681 -5.373 14.536 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.444 -5.397 15.242 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.857 -7.640 15.526 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.621 -7.665 16.234 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.828 -8.785 16.374 1.00 0.00 H new ATOM 836 N PRO A 54 -12.870 -5.460 11.701 1.00 0.00 N ATOM 837 CA PRO A 54 -12.677 -6.737 10.989 1.00 0.00 C ATOM 838 C PRO A 54 -13.158 -7.880 11.881 1.00 0.00 C ATOM 839 O PRO A 54 -12.377 -8.584 12.490 1.00 0.00 O ATOM 840 CB PRO A 54 -11.163 -6.772 10.763 1.00 0.00 C ATOM 841 CG PRO A 54 -10.549 -5.483 11.349 1.00 0.00 C ATOM 842 CD PRO A 54 -11.679 -4.608 11.908 1.00 0.00 C ATOM 0 HA PRO A 54 -13.229 -6.833 10.054 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.729 -7.650 11.242 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.941 -6.847 9.699 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.837 -5.728 12.137 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.999 -4.943 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.527 -4.371 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.760 -3.660 11.376 1.00 0.00 H new ATOM 850 N GLU A 55 -14.449 -8.043 11.976 1.00 0.00 N ATOM 851 CA GLU A 55 -15.015 -9.111 12.846 1.00 0.00 C ATOM 852 C GLU A 55 -14.170 -10.379 12.744 1.00 0.00 C ATOM 853 O GLU A 55 -14.103 -11.161 13.671 1.00 0.00 O ATOM 854 CB GLU A 55 -16.430 -9.333 12.319 1.00 0.00 C ATOM 855 CG GLU A 55 -16.368 -9.812 10.867 1.00 0.00 C ATOM 856 CD GLU A 55 -17.419 -9.068 10.040 1.00 0.00 C ATOM 857 OE1 GLU A 55 -17.962 -8.097 10.542 1.00 0.00 O ATOM 858 OE2 GLU A 55 -17.663 -9.483 8.919 1.00 0.00 O ATOM 0 H GLU A 55 -15.141 -7.477 11.484 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.022 -8.837 13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.946 -10.070 12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.002 -8.407 12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.374 -9.635 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.546 -10.886 10.819 1.00 0.00 H new ATOM 865 N GLU A 56 -13.495 -10.579 11.646 1.00 0.00 N ATOM 866 CA GLU A 56 -12.631 -11.786 11.535 1.00 0.00 C ATOM 867 C GLU A 56 -11.694 -11.821 12.743 1.00 0.00 C ATOM 868 O GLU A 56 -11.144 -12.846 13.096 1.00 0.00 O ATOM 869 CB GLU A 56 -11.843 -11.600 10.237 1.00 0.00 C ATOM 870 CG GLU A 56 -11.009 -12.853 9.963 1.00 0.00 C ATOM 871 CD GLU A 56 -11.940 -14.024 9.646 1.00 0.00 C ATOM 872 OE1 GLU A 56 -13.045 -13.772 9.194 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.533 -15.154 9.863 1.00 0.00 O ATOM 0 H GLU A 56 -13.504 -9.967 10.830 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.193 -12.720 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.526 -11.416 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.194 -10.728 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.331 -12.677 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.392 -13.089 10.830 1.00 0.00 H new ATOM 880 N LEU A 57 -11.529 -10.695 13.388 1.00 0.00 N ATOM 881 CA LEU A 57 -10.651 -10.630 14.591 1.00 0.00 C ATOM 882 C LEU A 57 -11.481 -10.904 15.847 1.00 0.00 C ATOM 883 O LEU A 57 -11.010 -10.764 16.958 1.00 0.00 O ATOM 884 CB LEU A 57 -10.110 -9.199 14.623 1.00 0.00 C ATOM 885 CG LEU A 57 -9.469 -8.852 13.279 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.930 -7.422 13.331 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.317 -9.815 12.998 1.00 0.00 C ATOM 0 H LEU A 57 -11.969 -9.812 13.130 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.848 -11.366 14.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.918 -8.501 14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.376 -9.097 15.422 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.214 -8.936 12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.472 -7.171 12.374 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.749 -6.732 13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.184 -7.343 14.122 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.861 -9.567 12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.571 -9.730 13.788 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.696 -10.836 12.966 1.00 0.00 H new ATOM 899 N LYS A 58 -12.719 -11.289 15.677 1.00 0.00 N ATOM 900 CA LYS A 58 -13.588 -11.568 16.857 1.00 0.00 C ATOM 901 C LYS A 58 -12.798 -12.286 17.952 1.00 0.00 C ATOM 902 O LYS A 58 -12.801 -11.860 19.089 1.00 0.00 O ATOM 903 CB LYS A 58 -14.706 -12.465 16.324 1.00 0.00 C ATOM 904 CG LYS A 58 -16.039 -11.719 16.410 1.00 0.00 C ATOM 905 CD LYS A 58 -17.190 -12.702 16.191 1.00 0.00 C ATOM 906 CE LYS A 58 -18.086 -12.724 17.432 1.00 0.00 C ATOM 907 NZ LYS A 58 -19.460 -12.466 16.915 1.00 0.00 N ATOM 0 H LYS A 58 -13.166 -11.422 14.770 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.976 -10.652 17.303 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.500 -12.747 15.291 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.755 -13.387 16.903 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.137 -11.239 17.384 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.074 -10.929 15.660 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.770 -12.410 15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.798 -13.700 15.995 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.030 -13.685 17.943 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.784 -11.962 18.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.134 -12.465 17.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.484 -11.542 16.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.722 -13.211 16.238 1.00 0.00 H new ATOM 921 N PRO A 59 -12.137 -13.355 17.582 1.00 0.00 N ATOM 922 CA PRO A 59 -11.338 -14.118 18.562 1.00 0.00 C ATOM 923 C PRO A 59 -10.334 -13.195 19.257 1.00 0.00 C ATOM 924 O PRO A 59 -10.154 -13.255 20.457 1.00 0.00 O ATOM 925 CB PRO A 59 -10.642 -15.166 17.688 1.00 0.00 C ATOM 926 CG PRO A 59 -11.092 -14.965 16.228 1.00 0.00 C ATOM 927 CD PRO A 59 -12.147 -13.851 16.185 1.00 0.00 C ATOM 0 HA PRO A 59 -11.924 -14.566 19.365 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.559 -15.066 17.767 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.895 -16.170 18.027 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.239 -14.701 15.603 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.505 -15.892 15.829 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.884 -13.068 15.473 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.127 -14.230 15.894 1.00 0.00 H new ATOM 935 N LEU A 60 -9.682 -12.336 18.519 1.00 0.00 N ATOM 936 CA LEU A 60 -8.700 -11.414 19.155 1.00 0.00 C ATOM 937 C LEU A 60 -9.396 -10.564 20.220 1.00 0.00 C ATOM 938 O LEU A 60 -8.834 -10.264 21.254 1.00 0.00 O ATOM 939 CB LEU A 60 -8.189 -10.533 18.014 1.00 0.00 C ATOM 940 CG LEU A 60 -7.534 -11.405 16.939 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.620 -10.538 16.071 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.708 -12.508 17.604 1.00 0.00 C ATOM 0 H LEU A 60 -9.787 -12.234 17.510 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.889 -11.947 19.651 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.014 -9.966 17.583 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.470 -9.809 18.396 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.307 -11.858 16.319 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.152 -11.156 15.305 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.208 -9.753 15.595 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.848 -10.086 16.694 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.243 -13.127 16.837 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.934 -12.058 18.226 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.358 -13.126 18.224 1.00 0.00 H new ATOM 954 N CYS A 61 -10.616 -10.173 19.976 1.00 0.00 N ATOM 955 CA CYS A 61 -11.345 -9.342 20.976 1.00 0.00 C ATOM 956 C CYS A 61 -11.604 -10.150 22.250 1.00 0.00 C ATOM 957 O CYS A 61 -11.743 -9.601 23.327 1.00 0.00 O ATOM 958 CB CYS A 61 -12.665 -8.976 20.294 1.00 0.00 C ATOM 959 SG CYS A 61 -13.665 -7.964 21.412 1.00 0.00 S ATOM 0 H CYS A 61 -11.140 -10.392 19.129 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.779 -8.459 21.273 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.470 -8.431 19.370 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.209 -9.881 20.022 1.00 0.00 H new ATOM 964 N LYS A 62 -11.683 -11.447 22.138 1.00 0.00 N ATOM 965 CA LYS A 62 -11.947 -12.285 23.344 1.00 0.00 C ATOM 966 C LYS A 62 -10.637 -12.745 23.992 1.00 0.00 C ATOM 967 O LYS A 62 -10.644 -13.493 24.950 1.00 0.00 O ATOM 968 CB LYS A 62 -12.735 -13.485 22.821 1.00 0.00 C ATOM 969 CG LYS A 62 -14.088 -13.011 22.287 1.00 0.00 C ATOM 970 CD LYS A 62 -14.940 -14.222 21.906 1.00 0.00 C ATOM 971 CE LYS A 62 -16.231 -13.745 21.237 1.00 0.00 C ATOM 972 NZ LYS A 62 -16.771 -14.950 20.547 1.00 0.00 N ATOM 0 H LYS A 62 -11.576 -11.964 21.265 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.491 -11.733 24.111 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.175 -13.985 22.031 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.881 -14.213 23.619 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.601 -12.416 23.043 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.943 -12.368 21.419 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.386 -14.872 21.229 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.173 -14.810 22.794 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.938 -13.360 21.972 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.035 -12.939 20.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.658 -14.705 20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.079 -15.290 19.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.953 -15.698 21.246 1.00 0.00 H new ATOM 986 N GLU A 63 -9.512 -12.311 23.489 1.00 0.00 N ATOM 987 CA GLU A 63 -8.219 -12.738 24.100 1.00 0.00 C ATOM 988 C GLU A 63 -7.446 -11.517 24.616 1.00 0.00 C ATOM 989 O GLU A 63 -7.514 -10.451 24.037 1.00 0.00 O ATOM 990 CB GLU A 63 -7.455 -13.437 22.973 1.00 0.00 C ATOM 991 CG GLU A 63 -6.732 -12.398 22.114 1.00 0.00 C ATOM 992 CD GLU A 63 -6.174 -13.075 20.860 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.939 -13.735 20.177 1.00 0.00 O ATOM 994 OE2 GLU A 63 -4.991 -12.923 20.606 1.00 0.00 O ATOM 0 H GLU A 63 -9.432 -11.684 22.688 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.363 -13.398 24.955 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.735 -14.141 23.391 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.145 -14.015 22.358 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.419 -11.599 21.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.924 -11.938 22.683 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.739 -11.716 25.700 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.948 -10.622 26.316 1.00 0.00 C ATOM 1003 C PRO A 64 -4.856 -10.122 25.364 1.00 0.00 C ATOM 1004 O PRO A 64 -4.313 -9.050 25.540 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.333 -11.303 27.542 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.800 -12.773 27.581 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.694 -13.040 26.363 1.00 0.00 C ATOM 0 HA PRO A 64 -6.545 -9.743 26.558 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.245 -11.254 27.495 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.636 -10.786 28.453 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.940 -13.443 27.572 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.348 -12.971 28.502 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.273 -13.806 25.711 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.687 -13.381 26.656 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.521 -10.891 24.364 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.454 -10.454 23.416 1.00 0.00 C ATOM 1017 C ASN A 65 -4.015 -9.454 22.401 1.00 0.00 C ATOM 1018 O ASN A 65 -3.278 -8.790 21.700 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.001 -11.733 22.712 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.534 -12.751 23.755 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.885 -13.912 23.688 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.750 -12.362 24.723 1.00 0.00 N ATOM 0 H ASN A 65 -4.938 -11.800 24.162 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.631 -9.955 23.928 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.821 -12.148 22.125 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.191 -11.511 22.017 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.432 -13.033 25.423 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.455 -11.387 24.780 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.312 -9.341 22.316 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.913 -8.383 21.343 1.00 0.00 C ATOM 1031 C ALA A 66 -5.223 -7.020 21.443 1.00 0.00 C ATOM 1032 O ALA A 66 -4.936 -6.385 20.448 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.380 -8.268 21.756 1.00 0.00 C ATOM 0 H ALA A 66 -5.981 -9.869 22.876 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.802 -8.720 20.312 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.894 -7.578 21.086 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.852 -9.249 21.699 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.442 -7.895 22.778 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.959 -6.564 22.637 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.293 -5.240 22.797 1.00 0.00 C ATOM 1041 C GLN A 67 -2.928 -5.241 22.102 1.00 0.00 C ATOM 1042 O GLN A 67 -2.541 -4.276 21.474 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.127 -5.058 24.306 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.507 -4.955 24.960 1.00 0.00 C ATOM 1045 CD GLN A 67 -5.344 -4.628 26.446 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -5.131 -3.489 26.810 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -5.435 -5.588 27.324 1.00 0.00 N ATOM 0 H GLN A 67 -5.175 -7.050 23.507 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.873 -4.432 22.350 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.575 -5.899 24.726 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.546 -4.159 24.513 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.097 -4.181 24.469 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.049 -5.893 24.840 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.614 -6.544 27.017 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.327 -5.383 28.317 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.195 -6.318 22.203 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.860 -6.371 21.542 1.00 0.00 C ATOM 1058 C GLU A 68 -1.026 -6.680 20.051 1.00 0.00 C ATOM 1059 O GLU A 68 -0.306 -6.167 19.216 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.107 -7.500 22.245 1.00 0.00 C ATOM 1061 CG GLU A 68 1.312 -7.592 21.682 1.00 0.00 C ATOM 1062 CD GLU A 68 2.008 -8.831 22.248 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.370 -9.553 22.997 1.00 0.00 O ATOM 1064 OE2 GLU A 68 3.166 -9.036 21.924 1.00 0.00 O ATOM 0 H GLU A 68 -2.462 -7.160 22.713 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.325 -5.424 21.615 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.073 -7.316 23.319 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.629 -8.446 22.100 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.280 -7.646 20.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.876 -6.696 21.940 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.973 -7.511 19.709 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.184 -7.845 18.271 1.00 0.00 C ATOM 1073 C ILE A 69 -2.662 -6.606 17.511 1.00 0.00 C ATOM 1074 O ILE A 69 -2.196 -6.311 16.429 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.268 -8.923 18.262 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.741 -10.186 18.946 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.649 -9.248 16.815 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.872 -11.211 19.059 1.00 0.00 C ATOM 0 H ILE A 69 -2.608 -7.972 20.361 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.268 -8.187 17.790 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.145 -8.560 18.798 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.912 -10.604 18.374 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.355 -9.943 19.936 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.422 -10.017 16.806 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.026 -8.349 16.327 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.771 -9.610 16.280 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.499 -12.112 19.546 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.687 -10.790 19.649 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.237 -11.462 18.063 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.590 -5.880 18.071 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.100 -4.661 17.381 1.00 0.00 C ATOM 1092 C LEU A 70 -2.934 -3.770 16.952 1.00 0.00 C ATOM 1093 O LEU A 70 -2.783 -3.446 15.792 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.966 -3.947 18.422 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.350 -2.556 17.907 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.192 -1.585 18.153 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.646 -2.627 16.407 1.00 0.00 C ATOM 0 H LEU A 70 -4.017 -6.078 18.976 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.663 -4.903 16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.864 -4.531 18.625 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.423 -3.860 19.363 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.238 -2.207 18.434 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.464 -0.595 17.787 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.982 -1.532 19.221 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.305 -1.936 17.626 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.919 -1.637 16.043 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.760 -2.977 15.877 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.470 -3.318 16.231 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.103 -3.373 17.877 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.947 -2.503 17.517 1.00 0.00 C ATOM 1111 C GLN A 71 -0.216 -3.071 16.299 1.00 0.00 C ATOM 1112 O GLN A 71 -0.018 -2.395 15.309 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.034 -2.530 18.744 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.797 -2.008 19.964 1.00 0.00 C ATOM 1115 CD GLN A 71 0.163 -1.863 21.147 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.390 -2.299 21.040 1.00 0.00 O flip ATOM 1117 NE2 GLN A 71 -0.207 -1.348 22.183 1.00 0.00 N flip ATOM 0 H GLN A 71 -2.174 -3.613 18.866 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.259 -1.491 17.259 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.315 -3.546 18.928 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.850 -1.917 18.566 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.255 -1.046 19.735 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.605 -2.693 20.220 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.164 -1.007 22.269 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.440 -1.257 22.967 1.00 0.00 H new ATOM 1126 N ARG A 72 0.192 -4.307 16.369 1.00 0.00 N ATOM 1127 CA ARG A 72 0.916 -4.923 15.220 1.00 0.00 C ATOM 1128 C ARG A 72 0.126 -4.725 13.924 1.00 0.00 C ATOM 1129 O ARG A 72 0.634 -4.203 12.951 1.00 0.00 O ATOM 1130 CB ARG A 72 1.018 -6.409 15.569 1.00 0.00 C ATOM 1131 CG ARG A 72 1.868 -6.578 16.829 1.00 0.00 C ATOM 1132 CD ARG A 72 2.087 -8.068 17.104 1.00 0.00 C ATOM 1133 NE ARG A 72 2.731 -8.117 18.447 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.259 -9.230 18.877 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.646 -10.364 18.676 1.00 0.00 N ATOM 1136 NH2 ARG A 72 4.401 -9.208 19.510 1.00 0.00 N ATOM 0 H ARG A 72 0.056 -4.919 17.173 1.00 0.00 H new ATOM 0 HA ARG A 72 1.896 -4.473 15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.023 -6.825 15.729 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.464 -6.959 14.740 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.827 -6.076 16.703 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.373 -6.110 17.680 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.144 -8.614 17.098 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.723 -8.521 16.344 1.00 0.00 H new ATOM 0 HE ARG A 72 2.759 -7.281 19.030 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.754 -10.381 18.182 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.059 -11.234 19.012 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.880 -8.321 19.668 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.814 -10.078 19.846 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.112 -5.135 13.902 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.929 -4.966 12.666 1.00 0.00 C ATOM 1152 C LEU A 73 -1.846 -3.521 12.169 1.00 0.00 C ATOM 1153 O LEU A 73 -1.597 -3.265 11.008 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.361 -5.301 13.084 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.423 -6.741 13.599 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.880 -7.124 13.859 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.826 -7.684 12.552 1.00 0.00 C ATOM 0 H LEU A 73 -1.593 -5.579 14.684 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.580 -5.605 11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.694 -4.612 13.860 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.036 -5.178 12.237 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.854 -6.822 14.525 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.927 -8.149 14.226 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.305 -6.452 14.604 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.448 -7.044 12.932 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.870 -8.710 12.919 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.394 -7.605 11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.788 -7.410 12.365 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.060 -2.573 13.040 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.001 -1.144 12.618 1.00 0.00 C ATOM 1171 C GLU A 74 -0.657 -0.829 11.955 1.00 0.00 C ATOM 1172 O GLU A 74 -0.605 -0.246 10.891 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.163 -0.342 13.910 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.491 -0.710 14.574 1.00 0.00 C ATOM 1175 CD GLU A 74 -3.775 0.255 15.725 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -2.834 0.860 16.210 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -4.928 0.372 16.103 1.00 0.00 O ATOM 0 H GLU A 74 -2.273 -2.726 14.026 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.772 -0.904 11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.335 -0.551 14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.136 0.726 13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.298 -0.667 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.451 -1.734 14.946 1.00 0.00 H new ATOM 1184 N GLU A 75 0.432 -1.199 12.574 1.00 0.00 N ATOM 1185 CA GLU A 75 1.767 -0.908 11.974 1.00 0.00 C ATOM 1186 C GLU A 75 1.879 -1.524 10.577 1.00 0.00 C ATOM 1187 O GLU A 75 2.172 -0.845 9.612 1.00 0.00 O ATOM 1188 CB GLU A 75 2.771 -1.552 12.928 1.00 0.00 C ATOM 1189 CG GLU A 75 4.194 -1.200 12.489 1.00 0.00 C ATOM 1190 CD GLU A 75 5.198 -1.919 13.393 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.761 -2.650 14.266 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.386 -1.726 13.196 1.00 0.00 O ATOM 0 H GLU A 75 0.455 -1.690 13.468 1.00 0.00 H new ATOM 0 HA GLU A 75 1.939 0.162 11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.597 -1.203 13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.639 -2.634 12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.349 -1.493 11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.347 -0.122 12.543 1.00 0.00 H new ATOM 1199 N ILE A 76 1.647 -2.802 10.456 1.00 0.00 N ATOM 1200 CA ILE A 76 1.741 -3.449 9.115 1.00 0.00 C ATOM 1201 C ILE A 76 0.731 -2.812 8.160 1.00 0.00 C ATOM 1202 O ILE A 76 0.999 -2.620 6.990 1.00 0.00 O ATOM 1203 CB ILE A 76 1.403 -4.920 9.358 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.354 -5.493 10.411 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.559 -5.701 8.052 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.793 -5.104 10.066 1.00 0.00 C ATOM 0 H ILE A 76 1.397 -3.425 11.224 1.00 0.00 H new ATOM 0 HA ILE A 76 2.726 -3.332 8.663 1.00 0.00 H new ATOM 0 HB ILE A 76 0.375 -5.004 9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.091 -5.114 11.399 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.259 -6.578 10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.318 -6.750 8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.883 -5.292 7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.587 -5.618 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.470 -5.512 10.816 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.053 -5.504 9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.882 -4.018 10.049 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.424 -2.470 8.658 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.451 -1.834 7.786 1.00 0.00 C ATOM 1220 C ALA A 77 -0.880 -0.557 7.165 1.00 0.00 C ATOM 1221 O ALA A 77 -1.215 -0.187 6.057 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.616 -1.505 8.720 1.00 0.00 C ATOM 0 H ALA A 77 -0.702 -2.603 9.630 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.763 -2.480 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.416 -1.032 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.988 -2.423 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.275 -0.825 9.501 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.016 0.115 7.875 1.00 0.00 N ATOM 1229 CA GLU A 78 0.585 1.368 7.334 1.00 0.00 C ATOM 1230 C GLU A 78 1.420 1.062 6.089 1.00 0.00 C ATOM 1231 O GLU A 78 1.410 1.803 5.126 1.00 0.00 O ATOM 1232 CB GLU A 78 1.473 1.897 8.461 1.00 0.00 C ATOM 1233 CG GLU A 78 2.040 3.262 8.066 1.00 0.00 C ATOM 1234 CD GLU A 78 3.016 3.739 9.143 1.00 0.00 C ATOM 1235 OE1 GLU A 78 3.212 3.010 10.102 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.550 4.825 8.993 1.00 0.00 O ATOM 0 H GLU A 78 0.301 -0.150 8.808 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.171 2.094 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.897 1.983 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.285 1.197 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.548 3.192 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.231 3.983 7.947 1.00 0.00 H new ATOM 1243 N ASP A 79 2.153 -0.018 6.102 1.00 0.00 N ATOM 1244 CA ASP A 79 2.994 -0.361 4.918 1.00 0.00 C ATOM 1245 C ASP A 79 3.174 -1.879 4.823 1.00 0.00 C ATOM 1246 O ASP A 79 3.063 -2.580 5.810 1.00 0.00 O ATOM 1247 CB ASP A 79 4.336 0.332 5.176 1.00 0.00 C ATOM 1248 CG ASP A 79 5.479 -0.518 4.610 1.00 0.00 C ATOM 1249 OD1 ASP A 79 5.719 -1.586 5.149 1.00 0.00 O ATOM 1250 OD2 ASP A 79 6.091 -0.086 3.648 1.00 0.00 O ATOM 0 H ASP A 79 2.206 -0.677 6.879 1.00 0.00 H new ATOM 0 HA ASP A 79 2.545 -0.038 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.341 1.319 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.478 0.482 6.246 1.00 0.00 H new ATOM 1255 N PRO A 80 3.454 -2.336 3.632 1.00 0.00 N ATOM 1256 CA PRO A 80 3.661 -3.784 3.395 1.00 0.00 C ATOM 1257 C PRO A 80 4.814 -4.312 4.253 1.00 0.00 C ATOM 1258 O PRO A 80 4.618 -5.118 5.141 1.00 0.00 O ATOM 1259 CB PRO A 80 4.011 -3.832 1.904 1.00 0.00 C ATOM 1260 CG PRO A 80 3.990 -2.396 1.343 1.00 0.00 C ATOM 1261 CD PRO A 80 3.577 -1.433 2.464 1.00 0.00 C ATOM 0 HA PRO A 80 2.799 -4.399 3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.995 -4.279 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.297 -4.457 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.973 -2.127 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.291 -2.327 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.324 -0.657 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.637 -0.929 2.240 1.00 0.00 H new ATOM 1269 N GLY A 81 6.016 -3.868 3.999 1.00 0.00 N ATOM 1270 CA GLY A 81 7.171 -4.352 4.804 1.00 0.00 C ATOM 1271 C GLY A 81 7.644 -5.700 4.258 1.00 0.00 C ATOM 1272 O GLY A 81 7.650 -5.930 3.064 1.00 0.00 O ATOM 0 H GLY A 81 6.246 -3.193 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.984 -3.627 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.882 -4.452 5.850 1.00 0.00 H new ATOM 1276 N THR A 82 8.035 -6.595 5.122 1.00 0.00 N ATOM 1277 CA THR A 82 8.503 -7.931 4.653 1.00 0.00 C ATOM 1278 C THR A 82 7.300 -8.801 4.279 1.00 0.00 C ATOM 1279 O THR A 82 7.420 -9.771 3.558 1.00 0.00 O ATOM 1280 CB THR A 82 9.245 -8.530 5.848 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.328 -8.742 6.912 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.343 -7.568 6.304 1.00 0.00 C ATOM 0 H THR A 82 8.051 -6.460 6.133 1.00 0.00 H new ATOM 0 HA THR A 82 9.139 -7.865 3.771 1.00 0.00 H new ATOM 0 HB THR A 82 9.695 -9.480 5.559 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.690 -8.357 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.871 -7.996 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.045 -7.404 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.896 -6.617 6.595 1.00 0.00 H new ATOM 1290 N CYS A 83 6.144 -8.459 4.768 1.00 0.00 N ATOM 1291 CA CYS A 83 4.937 -9.267 4.442 1.00 0.00 C ATOM 1292 C CYS A 83 4.726 -9.298 2.925 1.00 0.00 C ATOM 1293 O CYS A 83 4.567 -10.346 2.331 1.00 0.00 O ATOM 1294 CB CYS A 83 3.774 -8.560 5.137 1.00 0.00 C ATOM 1295 SG CYS A 83 2.249 -9.498 4.871 1.00 0.00 S ATOM 0 H CYS A 83 5.981 -7.658 5.378 1.00 0.00 H new ATOM 0 HA CYS A 83 5.029 -10.301 4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.976 -8.469 6.204 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.664 -7.548 4.746 1.00 0.00 H new ATOM 1300 N GLU A 84 4.723 -8.155 2.297 1.00 0.00 N ATOM 1301 CA GLU A 84 4.518 -8.113 0.820 1.00 0.00 C ATOM 1302 C GLU A 84 5.506 -9.042 0.110 1.00 0.00 C ATOM 1303 O GLU A 84 5.217 -9.582 -0.940 1.00 0.00 O ATOM 1304 CB GLU A 84 4.780 -6.659 0.428 1.00 0.00 C ATOM 1305 CG GLU A 84 4.505 -6.478 -1.067 1.00 0.00 C ATOM 1306 CD GLU A 84 4.902 -5.062 -1.490 1.00 0.00 C ATOM 1307 OE1 GLU A 84 5.406 -4.332 -0.651 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.696 -4.730 -2.646 1.00 0.00 O ATOM 0 H GLU A 84 4.854 -7.247 2.742 1.00 0.00 H new ATOM 0 HA GLU A 84 3.519 -8.444 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.142 -5.993 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.812 -6.390 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.068 -7.213 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.449 -6.649 -1.277 1.00 0.00 H new ATOM 1315 N ILE A 85 6.670 -9.233 0.668 1.00 0.00 N ATOM 1316 CA ILE A 85 7.667 -10.127 0.011 1.00 0.00 C ATOM 1317 C ILE A 85 7.723 -11.476 0.735 1.00 0.00 C ATOM 1318 O ILE A 85 8.604 -12.280 0.504 1.00 0.00 O ATOM 1319 CB ILE A 85 9.002 -9.387 0.128 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.424 -9.315 1.596 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.846 -7.969 -0.425 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.607 -8.357 1.739 1.00 0.00 C ATOM 0 H ILE A 85 6.973 -8.811 1.546 1.00 0.00 H new ATOM 0 HA ILE A 85 7.415 -10.339 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 85 9.763 -9.922 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.590 -8.974 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.699 -10.306 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.795 -7.440 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.547 -8.018 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.084 -7.438 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.909 -8.305 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.442 -8.718 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.315 -7.365 1.396 1.00 0.00 H new ATOM 1334 N CYS A 86 6.786 -11.729 1.607 1.00 0.00 N ATOM 1335 CA CYS A 86 6.778 -13.025 2.344 1.00 0.00 C ATOM 1336 C CYS A 86 8.088 -13.207 3.113 1.00 0.00 C ATOM 1337 O CYS A 86 8.434 -14.299 3.519 1.00 0.00 O ATOM 1338 CB CYS A 86 6.637 -14.094 1.260 1.00 0.00 C ATOM 1339 SG CYS A 86 5.179 -13.740 0.248 1.00 0.00 S ATOM 0 H CYS A 86 6.024 -11.093 1.842 1.00 0.00 H new ATOM 0 HA CYS A 86 5.973 -13.078 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.530 -14.114 0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.545 -15.080 1.716 1.00 0.00 H new ATOM 1344 N ALA A 87 8.820 -12.147 3.318 1.00 0.00 N ATOM 1345 CA ALA A 87 10.106 -12.265 4.064 1.00 0.00 C ATOM 1346 C ALA A 87 9.832 -12.551 5.542 1.00 0.00 C ATOM 1347 O ALA A 87 10.713 -12.936 6.284 1.00 0.00 O ATOM 1348 CB ALA A 87 10.787 -10.906 3.901 1.00 0.00 C ATOM 0 H ALA A 87 8.585 -11.206 3.002 1.00 0.00 H new ATOM 0 HA ALA A 87 10.727 -13.079 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.743 -10.913 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.954 -10.707 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.150 -10.127 4.320 1.00 0.00 H new ATOM 1354 N TYR A 88 8.616 -12.360 5.977 1.00 0.00 N ATOM 1355 CA TYR A 88 8.291 -12.617 7.409 1.00 0.00 C ATOM 1356 C TYR A 88 7.015 -13.456 7.522 1.00 0.00 C ATOM 1357 O TYR A 88 6.269 -13.603 6.576 1.00 0.00 O ATOM 1358 CB TYR A 88 8.079 -11.230 8.014 1.00 0.00 C ATOM 1359 CG TYR A 88 8.059 -11.333 9.520 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.229 -11.658 10.216 1.00 0.00 C ATOM 1361 CD2 TYR A 88 6.869 -11.103 10.221 1.00 0.00 C ATOM 1362 CE1 TYR A 88 9.210 -11.752 11.613 1.00 0.00 C ATOM 1363 CE2 TYR A 88 6.850 -11.197 11.618 1.00 0.00 C ATOM 1364 CZ TYR A 88 8.020 -11.521 12.313 1.00 0.00 C ATOM 1365 OH TYR A 88 8.001 -11.612 13.691 1.00 0.00 O ATOM 0 H TYR A 88 7.836 -12.038 5.404 1.00 0.00 H new ATOM 0 HA TYR A 88 9.077 -13.172 7.921 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.876 -10.558 7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.141 -10.805 7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.147 -11.836 9.675 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.966 -10.853 9.684 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.113 -12.003 12.150 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.932 -11.019 12.159 1.00 0.00 H new ATOM 0 HH TYR A 88 7.097 -11.421 14.019 1.00 0.00 H new ATOM 1375 N ALA A 89 6.762 -14.010 8.677 1.00 0.00 N ATOM 1376 CA ALA A 89 5.537 -14.841 8.852 1.00 0.00 C ATOM 1377 C ALA A 89 4.291 -13.951 8.876 1.00 0.00 C ATOM 1378 O ALA A 89 3.181 -14.427 9.006 1.00 0.00 O ATOM 1379 CB ALA A 89 5.723 -15.539 10.199 1.00 0.00 C ATOM 0 H ALA A 89 7.350 -13.923 9.506 1.00 0.00 H new ATOM 0 HA ALA A 89 5.401 -15.553 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.860 -16.173 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.624 -16.152 10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.818 -14.791 10.986 1.00 0.00 H new ATOM 1385 N ALA A 90 4.465 -12.663 8.752 1.00 0.00 N ATOM 1386 CA ALA A 90 3.288 -11.748 8.767 1.00 0.00 C ATOM 1387 C ALA A 90 2.407 -12.002 7.542 1.00 0.00 C ATOM 1388 O ALA A 90 1.194 -12.022 7.630 1.00 0.00 O ATOM 1389 CB ALA A 90 3.881 -10.340 8.716 1.00 0.00 C ATOM 0 H ALA A 90 5.370 -12.205 8.641 1.00 0.00 H new ATOM 0 HA ALA A 90 2.661 -11.895 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.076 -9.606 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.523 -10.184 9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.468 -10.225 7.805 1.00 0.00 H new ATOM 1395 N CYS A 91 3.005 -12.196 6.399 1.00 0.00 N ATOM 1396 CA CYS A 91 2.202 -12.448 5.168 1.00 0.00 C ATOM 1397 C CYS A 91 2.028 -13.947 4.949 1.00 0.00 C ATOM 1398 O CYS A 91 2.971 -14.658 4.660 1.00 0.00 O ATOM 1399 CB CYS A 91 3.019 -11.842 4.036 1.00 0.00 C ATOM 1400 SG CYS A 91 2.008 -10.634 3.144 1.00 0.00 S ATOM 0 H CYS A 91 4.016 -12.191 6.264 1.00 0.00 H new ATOM 0 HA CYS A 91 1.203 -12.016 5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.912 -11.361 4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.355 -12.625 3.356 1.00 0.00 H new ATOM 1405 N THR A 92 0.832 -14.438 5.090 1.00 0.00 N ATOM 1406 CA THR A 92 0.603 -15.895 4.898 1.00 0.00 C ATOM 1407 C THR A 92 -0.215 -16.140 3.629 1.00 0.00 C ATOM 1408 O THR A 92 -0.576 -17.256 3.311 1.00 0.00 O ATOM 1409 CB THR A 92 -0.175 -16.323 6.135 1.00 0.00 C ATOM 1410 OG1 THR A 92 0.187 -15.488 7.230 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.155 -17.778 6.469 1.00 0.00 C ATOM 0 H THR A 92 0.003 -13.895 5.330 1.00 0.00 H new ATOM 0 HA THR A 92 1.531 -16.455 4.782 1.00 0.00 H new ATOM 0 HB THR A 92 -1.244 -16.231 5.944 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.429 -16.044 8.000 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.402 -18.083 7.355 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.121 -18.416 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.224 -17.874 6.662 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.498 -15.101 2.898 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.280 -15.262 1.640 1.00 0.00 C ATOM 1421 C GLY A 93 -0.372 -15.862 0.564 1.00 0.00 C ATOM 1422 O GLY A 93 -0.703 -16.849 -0.063 1.00 0.00 O ATOM 0 H GLY A 93 -0.221 -14.144 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.140 -15.909 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.667 -14.298 1.311 1.00 0.00 H new ATOM 1426 N CYS A 94 0.772 -15.269 0.347 1.00 0.00 N ATOM 1427 CA CYS A 94 1.713 -15.793 -0.686 1.00 0.00 C ATOM 1428 C CYS A 94 1.662 -17.323 -0.731 1.00 0.00 C ATOM 1429 O CYS A 94 2.333 -17.943 0.078 1.00 0.00 O ATOM 1430 CB CYS A 94 3.095 -15.319 -0.234 1.00 0.00 C ATOM 1431 SG CYS A 94 3.486 -13.743 -1.033 1.00 0.00 S ATOM 1432 OXT CYS A 94 0.955 -17.848 -1.575 1.00 0.00 O ATOM 0 H CYS A 94 1.097 -14.439 0.844 1.00 0.00 H new ATOM 0 HA CYS A 94 1.463 -15.440 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.115 -15.204 0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.848 -16.065 -0.489 1.00 0.00 H new