USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot 180:sc= -0.0372 USER MOD Set 1.2: A 29 THR OG1 : rot 151:sc= 1.05 USER MOD Set 1.3: A 31 THR OG1 : rot 69:sc= 1.09 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -0.0891 (180deg=-0.387) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.582 K(o=0.58,f=-5.8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-1.14e-05 X(o=-1.1e-05,f=-0.29) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.557 F(o=-4!,f=-0.56) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 49:sc= 1.05 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 43 THR OG1 : rot 179:sc= 0.66 USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00766 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.07 F(o=-3.4!,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0552) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0624 (180deg=-0.361) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.243 0.727 11.516 1.00 0.00 N ATOM 2 CA ARG A 1 10.002 1.100 10.793 1.00 0.00 C ATOM 3 C ARG A 1 10.315 1.364 9.325 1.00 0.00 C ATOM 4 O ARG A 1 10.719 2.467 8.955 1.00 0.00 O ATOM 5 CB ARG A 1 9.407 2.353 11.450 1.00 0.00 C ATOM 6 CG ARG A 1 7.888 2.465 11.353 1.00 0.00 C ATOM 7 CD ARG A 1 7.405 2.709 9.932 1.00 0.00 C ATOM 8 NE ARG A 1 7.895 3.973 9.391 1.00 0.00 N ATOM 9 CZ ARG A 1 7.529 5.180 9.831 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.587 5.310 10.759 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.081 6.263 9.309 1.00 0.00 N ATOM 0 H1 ARG A 1 11.022 0.549 12.516 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.647 -0.133 11.092 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.932 1.503 11.447 1.00 0.00 H new ATOM 0 HA ARG A 1 9.280 0.285 10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.692 2.365 12.502 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.853 3.235 10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.436 1.549 11.733 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.547 3.279 11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.735 1.890 9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.315 2.707 9.915 1.00 0.00 H new ATOM 0 HE ARG A 1 8.564 3.932 8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.133 4.482 11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.318 6.238 11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.783 6.174 8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.805 7.187 9.641 1.00 0.00 H new ATOM 27 N ILE A 2 10.140 0.349 8.495 1.00 0.00 N ATOM 28 CA ILE A 2 10.412 0.474 7.076 1.00 0.00 C ATOM 29 C ILE A 2 9.289 1.200 6.345 1.00 0.00 C ATOM 30 O ILE A 2 8.141 1.229 6.797 1.00 0.00 O ATOM 31 CB ILE A 2 10.626 -0.918 6.411 1.00 0.00 C ATOM 32 CG1 ILE A 2 9.419 -1.819 6.685 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.903 -1.616 6.916 1.00 0.00 C ATOM 34 CD1 ILE A 2 9.534 -3.192 6.055 1.00 0.00 C ATOM 0 H ILE A 2 9.810 -0.572 8.782 1.00 0.00 H new ATOM 0 HA ILE A 2 11.327 1.060 6.992 1.00 0.00 H new ATOM 0 HB ILE A 2 10.737 -0.748 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.297 -1.931 7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.519 -1.331 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.008 -2.583 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.770 -0.996 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.835 -1.764 7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.644 -3.776 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.625 -3.090 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.415 -3.700 6.447 1.00 0.00 H new ATOM 46 N PRO A 3 9.630 1.815 5.204 1.00 0.00 N ATOM 47 CA PRO A 3 8.699 2.566 4.378 1.00 0.00 C ATOM 48 C PRO A 3 8.021 1.686 3.324 1.00 0.00 C ATOM 49 O PRO A 3 6.965 1.102 3.569 1.00 0.00 O ATOM 50 CB PRO A 3 9.601 3.615 3.706 1.00 0.00 C ATOM 51 CG PRO A 3 11.018 3.240 4.049 1.00 0.00 C ATOM 52 CD PRO A 3 10.972 1.854 4.631 1.00 0.00 C ATOM 0 HA PRO A 3 7.881 2.993 4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.451 3.621 2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.366 4.617 4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.650 3.266 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.442 3.945 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.114 1.086 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.743 1.702 5.386 1.00 0.00 H new ATOM 60 N VAL A 4 8.645 1.598 2.154 1.00 0.00 N ATOM 61 CA VAL A 4 8.134 0.797 1.041 1.00 0.00 C ATOM 62 C VAL A 4 9.282 0.005 0.422 1.00 0.00 C ATOM 63 O VAL A 4 10.442 0.400 0.527 1.00 0.00 O ATOM 64 CB VAL A 4 7.467 1.704 -0.033 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.903 0.888 -1.182 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.366 2.550 0.589 1.00 0.00 C ATOM 0 H VAL A 4 9.520 2.079 1.948 1.00 0.00 H new ATOM 0 HA VAL A 4 7.377 0.109 1.418 1.00 0.00 H new ATOM 0 HB VAL A 4 8.242 2.360 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.445 1.556 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.707 0.326 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.152 0.196 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.912 3.177 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.607 1.898 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.790 3.181 1.370 1.00 0.00 H new ATOM 76 N LYS A 5 8.970 -1.126 -0.205 1.00 0.00 N ATOM 77 CA LYS A 5 10.003 -1.954 -0.805 1.00 0.00 C ATOM 78 C LYS A 5 9.980 -1.887 -2.329 1.00 0.00 C ATOM 79 O LYS A 5 10.702 -1.094 -2.934 1.00 0.00 O ATOM 80 CB LYS A 5 9.853 -3.407 -0.345 1.00 0.00 C ATOM 81 CG LYS A 5 10.850 -3.845 0.723 1.00 0.00 C ATOM 82 CD LYS A 5 12.295 -3.715 0.253 1.00 0.00 C ATOM 83 CE LYS A 5 13.282 -4.076 1.361 1.00 0.00 C ATOM 84 NZ LYS A 5 13.079 -3.255 2.584 1.00 0.00 N ATOM 0 H LYS A 5 8.021 -1.484 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 5 10.964 -1.563 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.843 -3.549 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.959 -4.060 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.706 -3.243 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.652 -4.881 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.458 -4.365 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.479 -2.694 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.174 -5.131 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.300 -3.938 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.923 -3.319 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.921 -2.263 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.252 -3.608 3.106 1.00 0.00 H new ATOM 98 N TYR A 6 9.172 -2.746 -2.938 1.00 0.00 N ATOM 99 CA TYR A 6 9.072 -2.818 -4.392 1.00 0.00 C ATOM 100 C TYR A 6 7.872 -2.026 -4.900 1.00 0.00 C ATOM 101 O TYR A 6 6.961 -1.720 -4.136 1.00 0.00 O ATOM 102 CB TYR A 6 8.925 -4.285 -4.821 1.00 0.00 C ATOM 103 CG TYR A 6 9.911 -5.229 -4.149 1.00 0.00 C ATOM 104 CD1 TYR A 6 11.224 -4.845 -3.878 1.00 0.00 C ATOM 105 CD2 TYR A 6 9.521 -6.509 -3.777 1.00 0.00 C ATOM 106 CE1 TYR A 6 12.106 -5.708 -3.258 1.00 0.00 C ATOM 107 CE2 TYR A 6 10.399 -7.375 -3.154 1.00 0.00 C ATOM 108 CZ TYR A 6 11.689 -6.970 -2.897 1.00 0.00 C ATOM 109 OH TYR A 6 12.568 -7.827 -2.274 1.00 0.00 O ATOM 0 H TYR A 6 8.572 -3.407 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 6 9.978 -2.388 -4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.911 -4.618 -4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.053 -4.351 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.557 -3.856 -4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.511 -6.834 -3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 6 13.120 -5.394 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.075 -8.365 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 6 12.118 -8.677 -2.085 1.00 0.00 H new ATOM 119 N GLY A 7 7.868 -1.725 -6.191 1.00 0.00 N ATOM 120 CA GLY A 7 6.768 -1.002 -6.793 1.00 0.00 C ATOM 121 C GLY A 7 7.197 0.273 -7.476 1.00 0.00 C ATOM 122 O GLY A 7 8.346 0.404 -7.898 1.00 0.00 O ATOM 0 H GLY A 7 8.617 -1.972 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.272 -1.646 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.033 -0.765 -6.024 1.00 0.00 H new ATOM 126 N ASN A 8 6.260 1.203 -7.611 1.00 0.00 N ATOM 127 CA ASN A 8 6.531 2.471 -8.284 1.00 0.00 C ATOM 128 C ASN A 8 6.419 3.671 -7.339 1.00 0.00 C ATOM 129 O ASN A 8 6.513 4.818 -7.777 1.00 0.00 O ATOM 130 CB ASN A 8 5.567 2.643 -9.464 1.00 0.00 C ATOM 131 CG ASN A 8 4.145 2.944 -9.026 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.701 2.515 -7.955 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.397 3.644 -9.866 1.00 0.00 N ATOM 0 H ASN A 8 5.306 1.105 -7.264 1.00 0.00 H new ATOM 0 HA ASN A 8 7.560 2.439 -8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.924 3.451 -10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.572 1.734 -10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.423 3.844 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.795 3.983 -10.742 1.00 0.00 H new ATOM 140 N ALA A 9 6.220 3.406 -6.049 1.00 0.00 N ATOM 141 CA ALA A 9 6.101 4.467 -5.050 1.00 0.00 C ATOM 142 C ALA A 9 7.413 5.228 -4.900 1.00 0.00 C ATOM 143 O ALA A 9 8.496 4.655 -5.034 1.00 0.00 O ATOM 144 CB ALA A 9 5.651 3.889 -3.719 1.00 0.00 C ATOM 0 H ALA A 9 6.138 2.463 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 9 5.346 5.176 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.567 4.690 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.682 3.405 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.381 3.157 -3.375 1.00 0.00 H new ATOM 150 N ASP A 10 7.293 6.527 -4.642 1.00 0.00 N ATOM 151 CA ASP A 10 8.448 7.412 -4.485 1.00 0.00 C ATOM 152 C ASP A 10 9.372 6.976 -3.345 1.00 0.00 C ATOM 153 O ASP A 10 10.463 6.465 -3.591 1.00 0.00 O ATOM 154 CB ASP A 10 7.974 8.859 -4.277 1.00 0.00 C ATOM 155 CG ASP A 10 6.705 8.961 -3.452 1.00 0.00 C ATOM 156 OD1 ASP A 10 6.745 8.644 -2.249 1.00 0.00 O ATOM 157 OD2 ASP A 10 5.663 9.350 -4.015 1.00 0.00 O ATOM 0 H ASP A 10 6.394 6.998 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 10 9.034 7.350 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.765 9.426 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.806 9.322 -5.249 1.00 0.00 H new ATOM 162 N GLY A 11 8.949 7.182 -2.107 1.00 0.00 N ATOM 163 CA GLY A 11 9.776 6.802 -0.978 1.00 0.00 C ATOM 164 C GLY A 11 9.170 7.142 0.368 1.00 0.00 C ATOM 165 O GLY A 11 9.898 7.367 1.334 1.00 0.00 O ATOM 0 H GLY A 11 8.053 7.603 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.962 5.729 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.743 7.297 -1.066 1.00 0.00 H new ATOM 169 N GLU A 12 7.847 7.170 0.448 1.00 0.00 N ATOM 170 CA GLU A 12 7.182 7.470 1.711 1.00 0.00 C ATOM 171 C GLU A 12 6.998 6.198 2.523 1.00 0.00 C ATOM 172 O GLU A 12 7.251 5.098 2.035 1.00 0.00 O ATOM 173 CB GLU A 12 5.803 8.098 1.485 1.00 0.00 C ATOM 174 CG GLU A 12 5.814 9.468 0.830 1.00 0.00 C ATOM 175 CD GLU A 12 6.440 10.529 1.703 1.00 0.00 C ATOM 176 OE1 GLU A 12 7.654 10.443 1.969 1.00 0.00 O ATOM 177 OE2 GLU A 12 5.712 11.447 2.131 1.00 0.00 O ATOM 0 H GLU A 12 7.218 6.991 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 12 7.814 8.178 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.211 7.423 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.296 8.177 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.359 9.411 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.791 9.759 0.589 1.00 0.00 H new ATOM 184 N TYR A 13 6.507 6.350 3.741 1.00 0.00 N ATOM 185 CA TYR A 13 6.226 5.227 4.596 1.00 0.00 C ATOM 186 C TYR A 13 4.740 4.930 4.439 1.00 0.00 C ATOM 187 O TYR A 13 3.986 5.840 4.087 1.00 0.00 O ATOM 188 CB TYR A 13 6.623 5.592 6.028 1.00 0.00 C ATOM 189 CG TYR A 13 5.521 5.464 7.035 1.00 0.00 C ATOM 190 CD1 TYR A 13 5.139 4.228 7.529 1.00 0.00 C ATOM 191 CD2 TYR A 13 4.861 6.589 7.485 1.00 0.00 C ATOM 192 CE1 TYR A 13 4.123 4.119 8.449 1.00 0.00 C ATOM 193 CE2 TYR A 13 3.844 6.496 8.406 1.00 0.00 C ATOM 194 CZ TYR A 13 3.476 5.256 8.888 1.00 0.00 C ATOM 195 OH TYR A 13 2.457 5.154 9.803 1.00 0.00 O ATOM 0 H TYR A 13 6.295 7.257 4.157 1.00 0.00 H new ATOM 0 HA TYR A 13 6.792 4.332 4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.452 4.955 6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.989 6.619 6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.646 3.338 7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.148 7.559 7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.833 3.149 8.826 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.337 7.386 8.749 1.00 0.00 H new ATOM 0 HH TYR A 13 2.110 6.047 10.007 1.00 0.00 H new ATOM 205 N CYS A 14 4.325 3.680 4.652 1.00 0.00 N ATOM 206 CA CYS A 14 2.916 3.297 4.497 1.00 0.00 C ATOM 207 C CYS A 14 1.969 4.353 5.067 1.00 0.00 C ATOM 208 O CYS A 14 2.005 4.664 6.252 1.00 0.00 O ATOM 209 CB CYS A 14 2.649 1.955 5.165 1.00 0.00 C ATOM 210 SG CYS A 14 3.292 0.519 4.246 1.00 0.00 S ATOM 0 H CYS A 14 4.940 2.916 4.931 1.00 0.00 H new ATOM 0 HA CYS A 14 2.724 3.215 3.427 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.093 1.963 6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.574 1.835 5.297 1.00 0.00 H new ATOM 215 N LYS A 15 1.122 4.904 4.205 1.00 0.00 N ATOM 216 CA LYS A 15 0.173 5.933 4.617 1.00 0.00 C ATOM 217 C LYS A 15 -1.003 5.284 5.323 1.00 0.00 C ATOM 218 O LYS A 15 -1.832 4.622 4.701 1.00 0.00 O ATOM 219 CB LYS A 15 -0.305 6.739 3.400 1.00 0.00 C ATOM 220 CG LYS A 15 -0.399 8.242 3.647 1.00 0.00 C ATOM 221 CD LYS A 15 -1.416 8.581 4.728 1.00 0.00 C ATOM 222 CE LYS A 15 -1.483 10.083 4.973 1.00 0.00 C ATOM 223 NZ LYS A 15 -2.419 10.430 6.079 1.00 0.00 N ATOM 0 H LYS A 15 1.073 4.656 3.217 1.00 0.00 H new ATOM 0 HA LYS A 15 0.665 6.620 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.377 6.560 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.284 6.370 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.580 8.623 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.674 8.745 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.399 8.214 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.150 8.071 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.487 10.456 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.801 10.585 4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.433 11.461 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.376 10.098 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.103 9.973 6.958 1.00 0.00 H new ATOM 237 N PHE A 16 -1.045 5.451 6.633 1.00 0.00 N ATOM 238 CA PHE A 16 -2.096 4.858 7.439 1.00 0.00 C ATOM 239 C PHE A 16 -3.005 5.921 8.037 1.00 0.00 C ATOM 240 O PHE A 16 -2.558 6.767 8.813 1.00 0.00 O ATOM 241 CB PHE A 16 -1.474 4.006 8.545 1.00 0.00 C ATOM 242 CG PHE A 16 -0.774 2.780 8.031 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.104 2.248 6.795 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.203 2.157 8.783 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.472 1.122 6.316 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.844 1.026 8.312 1.00 0.00 C ATOM 247 CZ PHE A 16 0.507 0.502 7.073 1.00 0.00 C ATOM 0 H PHE A 16 -0.362 5.994 7.162 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.708 4.227 6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.763 4.613 9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.255 3.704 9.243 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.868 2.723 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.469 2.558 9.750 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.740 0.723 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.608 0.550 8.909 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.004 -0.382 6.702 1.00 0.00 H new ATOM 257 N PRO A 17 -4.302 5.888 7.687 1.00 0.00 N ATOM 258 CA PRO A 17 -4.863 4.905 6.777 1.00 0.00 C ATOM 259 C PRO A 17 -4.901 5.403 5.335 1.00 0.00 C ATOM 260 O PRO A 17 -4.895 6.611 5.084 1.00 0.00 O ATOM 261 CB PRO A 17 -6.290 4.730 7.309 1.00 0.00 C ATOM 262 CG PRO A 17 -6.579 5.944 8.155 1.00 0.00 C ATOM 263 CD PRO A 17 -5.340 6.811 8.146 1.00 0.00 C ATOM 0 HA PRO A 17 -4.275 3.987 6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.003 4.649 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.376 3.817 7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.433 6.493 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.833 5.650 9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.448 7.664 7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.118 7.210 9.136 1.00 0.00 H new ATOM 271 N PHE A 18 -4.966 4.478 4.390 1.00 0.00 N ATOM 272 CA PHE A 18 -5.043 4.853 2.986 1.00 0.00 C ATOM 273 C PHE A 18 -6.384 4.422 2.411 1.00 0.00 C ATOM 274 O PHE A 18 -6.956 3.414 2.828 1.00 0.00 O ATOM 275 CB PHE A 18 -3.870 4.290 2.158 1.00 0.00 C ATOM 276 CG PHE A 18 -3.839 2.791 2.009 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.518 1.974 3.077 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.133 2.206 0.790 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.490 0.600 2.933 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.108 0.834 0.636 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.786 0.025 1.711 1.00 0.00 C ATOM 0 H PHE A 18 -4.967 3.473 4.566 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.962 5.938 2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.904 4.735 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.936 4.611 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.286 2.415 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.386 2.832 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.237 -0.026 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.340 0.393 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.766 -1.049 1.596 1.00 0.00 H new ATOM 291 N LEU A 19 -6.898 5.213 1.480 1.00 0.00 N ATOM 292 CA LEU A 19 -8.194 4.939 0.876 1.00 0.00 C ATOM 293 C LEU A 19 -8.093 3.972 -0.295 1.00 0.00 C ATOM 294 O LEU A 19 -7.598 4.323 -1.369 1.00 0.00 O ATOM 295 CB LEU A 19 -8.837 6.244 0.397 1.00 0.00 C ATOM 296 CG LEU A 19 -10.244 6.100 -0.186 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.266 5.917 0.921 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.592 7.305 -1.044 1.00 0.00 C ATOM 0 H LEU A 19 -6.437 6.051 1.126 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.812 4.473 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.878 6.940 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.192 6.693 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.264 5.212 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.260 5.816 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.027 5.020 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.245 6.783 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.596 7.185 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.552 8.209 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.877 7.387 -1.863 1.00 0.00 H new ATOM 310 N PHE A 20 -8.599 2.762 -0.092 1.00 0.00 N ATOM 311 CA PHE A 20 -8.607 1.745 -1.136 1.00 0.00 C ATOM 312 C PHE A 20 -10.038 1.496 -1.589 1.00 0.00 C ATOM 313 O PHE A 20 -10.783 0.769 -0.932 1.00 0.00 O ATOM 314 CB PHE A 20 -8.028 0.421 -0.641 1.00 0.00 C ATOM 315 CG PHE A 20 -7.752 -0.567 -1.736 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.659 -0.180 -3.065 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.594 -1.900 -1.420 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.412 -1.120 -4.050 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.350 -2.842 -2.394 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.258 -2.453 -3.715 1.00 0.00 C ATOM 0 H PHE A 20 -9.011 2.460 0.791 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.992 2.113 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.102 0.619 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.722 -0.025 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.780 0.859 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.663 -2.211 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.339 -0.812 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.231 -3.881 -2.125 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.067 -3.187 -4.484 1.00 0.00 H new ATOM 330 N ASN A 21 -10.405 2.094 -2.712 1.00 0.00 N ATOM 331 CA ASN A 21 -11.746 1.944 -3.296 1.00 0.00 C ATOM 332 C ASN A 21 -12.872 2.222 -2.295 1.00 0.00 C ATOM 333 O ASN A 21 -13.967 1.682 -2.431 1.00 0.00 O ATOM 334 CB ASN A 21 -11.919 0.544 -3.896 1.00 0.00 C ATOM 335 CG ASN A 21 -11.179 0.379 -5.209 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.974 0.609 -5.291 1.00 0.00 O ATOM 337 ND2 ASN A 21 -11.898 -0.019 -6.248 1.00 0.00 N ATOM 0 H ASN A 21 -9.787 2.700 -3.251 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.823 2.695 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.560 -0.200 -3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.980 0.348 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.454 -0.145 -7.157 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.896 -0.200 -6.139 1.00 0.00 H new ATOM 344 N GLY A 22 -12.621 3.081 -1.313 1.00 0.00 N ATOM 345 CA GLY A 22 -13.656 3.419 -0.350 1.00 0.00 C ATOM 346 C GLY A 22 -13.419 2.910 1.064 1.00 0.00 C ATOM 347 O GLY A 22 -14.242 3.150 1.946 1.00 0.00 O ATOM 0 H GLY A 22 -11.726 3.547 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.757 4.504 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.606 3.021 -0.707 1.00 0.00 H new ATOM 351 N LYS A 23 -12.311 2.222 1.304 1.00 0.00 N ATOM 352 CA LYS A 23 -12.018 1.715 2.642 1.00 0.00 C ATOM 353 C LYS A 23 -10.617 2.123 3.078 1.00 0.00 C ATOM 354 O LYS A 23 -9.661 1.990 2.315 1.00 0.00 O ATOM 355 CB LYS A 23 -12.155 0.188 2.687 1.00 0.00 C ATOM 356 CG LYS A 23 -12.000 -0.398 4.083 1.00 0.00 C ATOM 357 CD LYS A 23 -12.093 -1.914 4.064 1.00 0.00 C ATOM 358 CE LYS A 23 -11.983 -2.486 5.469 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.063 -3.964 5.481 1.00 0.00 N ATOM 0 H LYS A 23 -11.606 2.003 0.600 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.741 2.152 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.131 -0.092 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.406 -0.255 2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.039 -0.097 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.773 0.007 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.040 -2.218 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.299 -2.323 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.039 -2.172 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.780 -2.076 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.983 -4.308 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.974 -4.266 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.287 -4.358 4.911 1.00 0.00 H new ATOM 373 N GLU A 24 -10.504 2.618 4.309 1.00 0.00 N ATOM 374 CA GLU A 24 -9.220 3.043 4.853 1.00 0.00 C ATOM 375 C GLU A 24 -8.565 1.904 5.626 1.00 0.00 C ATOM 376 O GLU A 24 -9.159 1.341 6.546 1.00 0.00 O ATOM 377 CB GLU A 24 -9.396 4.264 5.769 1.00 0.00 C ATOM 378 CG GLU A 24 -10.092 5.446 5.119 1.00 0.00 C ATOM 379 CD GLU A 24 -11.586 5.447 5.354 1.00 0.00 C ATOM 380 OE1 GLU A 24 -12.003 5.550 6.527 1.00 0.00 O ATOM 381 OE2 GLU A 24 -12.345 5.346 4.376 1.00 0.00 O ATOM 0 H GLU A 24 -11.290 2.734 4.949 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.575 3.321 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.965 3.963 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.414 4.584 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.667 6.371 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.897 5.432 4.047 1.00 0.00 H new ATOM 388 N TYR A 25 -7.341 1.566 5.247 1.00 0.00 N ATOM 389 CA TYR A 25 -6.607 0.489 5.907 1.00 0.00 C ATOM 390 C TYR A 25 -5.547 1.036 6.842 1.00 0.00 C ATOM 391 O TYR A 25 -4.783 1.928 6.477 1.00 0.00 O ATOM 392 CB TYR A 25 -5.950 -0.421 4.878 1.00 0.00 C ATOM 393 CG TYR A 25 -6.935 -1.207 4.059 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.638 -2.268 4.609 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.179 -0.866 2.742 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.560 -2.969 3.855 1.00 0.00 C ATOM 397 CE2 TYR A 25 -8.096 -1.563 1.979 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.786 -2.613 2.544 1.00 0.00 C ATOM 399 OH TYR A 25 -9.707 -3.313 1.799 1.00 0.00 O ATOM 0 H TYR A 25 -6.833 2.019 4.487 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.327 -0.084 6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.334 0.183 4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.281 -1.113 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.463 -2.549 5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.643 -0.039 2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.102 -3.794 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.270 -1.287 0.949 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.750 -2.937 0.895 1.00 0.00 H new ATOM 409 N ASN A 26 -5.502 0.486 8.045 1.00 0.00 N ATOM 410 CA ASN A 26 -4.525 0.909 9.046 1.00 0.00 C ATOM 411 C ASN A 26 -3.250 0.084 8.935 1.00 0.00 C ATOM 412 O ASN A 26 -2.301 0.295 9.686 1.00 0.00 O ATOM 413 CB ASN A 26 -5.086 0.770 10.463 1.00 0.00 C ATOM 414 CG ASN A 26 -6.219 1.732 10.767 1.00 0.00 C ATOM 415 OD1 ASN A 26 -6.675 2.469 9.767 1.00 0.00 O flip ATOM 416 ND2 ASN A 26 -6.692 1.803 11.901 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.130 -0.255 8.356 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.300 1.958 8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.440 -0.251 10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.281 0.932 11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.315 1.220 12.648 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.461 2.445 12.094 1.00 0.00 H new ATOM 423 N SER A 27 -3.238 -0.865 8.006 1.00 0.00 N ATOM 424 CA SER A 27 -2.079 -1.728 7.807 1.00 0.00 C ATOM 425 C SER A 27 -1.989 -2.200 6.358 1.00 0.00 C ATOM 426 O SER A 27 -2.730 -1.731 5.493 1.00 0.00 O ATOM 427 CB SER A 27 -2.152 -2.935 8.746 1.00 0.00 C ATOM 428 OG SER A 27 -3.354 -3.665 8.554 1.00 0.00 O ATOM 0 H SER A 27 -4.019 -1.057 7.378 1.00 0.00 H new ATOM 0 HA SER A 27 -1.184 -1.150 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.296 -3.587 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.090 -2.598 9.781 1.00 0.00 H new ATOM 0 HG SER A 27 -3.373 -4.431 9.165 1.00 0.00 H new ATOM 434 N CYS A 28 -1.079 -3.129 6.100 1.00 0.00 N ATOM 435 CA CYS A 28 -0.899 -3.668 4.759 1.00 0.00 C ATOM 436 C CYS A 28 -1.926 -4.766 4.490 1.00 0.00 C ATOM 437 O CYS A 28 -2.108 -5.670 5.306 1.00 0.00 O ATOM 438 CB CYS A 28 0.513 -4.228 4.598 1.00 0.00 C ATOM 439 SG CYS A 28 1.839 -3.039 4.998 1.00 0.00 S ATOM 0 H CYS A 28 -0.454 -3.525 6.802 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.044 -2.862 4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.620 -5.103 5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.642 -4.567 3.570 1.00 0.00 H new ATOM 444 N THR A 29 -2.596 -4.688 3.348 1.00 0.00 N ATOM 445 CA THR A 29 -3.597 -5.673 2.983 1.00 0.00 C ATOM 446 C THR A 29 -3.215 -6.353 1.673 1.00 0.00 C ATOM 447 O THR A 29 -2.426 -5.808 0.905 1.00 0.00 O ATOM 448 CB THR A 29 -4.986 -5.008 2.868 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.987 -5.975 2.603 1.00 0.00 O ATOM 450 CG2 THR A 29 -5.083 -3.940 1.786 1.00 0.00 C ATOM 0 H THR A 29 -2.461 -3.949 2.658 1.00 0.00 H new ATOM 0 HA THR A 29 -3.644 -6.432 3.764 1.00 0.00 H new ATOM 0 HB THR A 29 -5.138 -4.525 3.833 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.841 -5.672 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.091 -3.525 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.366 -3.146 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.862 -4.384 0.816 1.00 0.00 H new ATOM 458 N ASP A 30 -3.778 -7.533 1.410 1.00 0.00 N ATOM 459 CA ASP A 30 -3.487 -8.241 0.170 1.00 0.00 C ATOM 460 C ASP A 30 -4.651 -8.072 -0.788 1.00 0.00 C ATOM 461 O ASP A 30 -4.719 -8.722 -1.831 1.00 0.00 O ATOM 462 CB ASP A 30 -3.210 -9.730 0.387 1.00 0.00 C ATOM 463 CG ASP A 30 -3.056 -10.137 1.835 1.00 0.00 C ATOM 464 OD1 ASP A 30 -4.077 -10.188 2.549 1.00 0.00 O ATOM 465 OD2 ASP A 30 -1.920 -10.410 2.264 1.00 0.00 O ATOM 0 H ASP A 30 -4.430 -8.011 2.032 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.579 -7.807 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.024 -10.306 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.301 -9.999 -0.151 1.00 0.00 H new ATOM 470 N THR A 31 -5.568 -7.192 -0.410 1.00 0.00 N ATOM 471 CA THR A 31 -6.749 -6.905 -1.206 1.00 0.00 C ATOM 472 C THR A 31 -6.338 -6.323 -2.546 1.00 0.00 C ATOM 473 O THR A 31 -5.451 -5.471 -2.617 1.00 0.00 O ATOM 474 CB THR A 31 -7.650 -5.927 -0.454 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.943 -6.421 0.845 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.969 -5.652 -1.141 1.00 0.00 C ATOM 0 H THR A 31 -5.512 -6.658 0.457 1.00 0.00 H new ATOM 0 HA THR A 31 -7.301 -7.828 -1.382 1.00 0.00 H new ATOM 0 HB THR A 31 -7.085 -4.995 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.130 -6.406 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.550 -4.949 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.784 -5.225 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.525 -6.584 -1.248 1.00 0.00 H new ATOM 484 N GLY A 32 -6.964 -6.798 -3.609 1.00 0.00 N ATOM 485 CA GLY A 32 -6.631 -6.324 -4.931 1.00 0.00 C ATOM 486 C GLY A 32 -5.476 -7.101 -5.523 1.00 0.00 C ATOM 487 O GLY A 32 -5.292 -7.139 -6.740 1.00 0.00 O ATOM 0 H GLY A 32 -7.698 -7.505 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.502 -6.413 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.374 -5.266 -4.885 1.00 0.00 H new ATOM 491 N ARG A 33 -4.694 -7.726 -4.652 1.00 0.00 N ATOM 492 CA ARG A 33 -3.547 -8.516 -5.064 1.00 0.00 C ATOM 493 C ARG A 33 -3.915 -9.989 -5.097 1.00 0.00 C ATOM 494 O ARG A 33 -4.212 -10.584 -4.062 1.00 0.00 O ATOM 495 CB ARG A 33 -2.378 -8.313 -4.093 1.00 0.00 C ATOM 496 CG ARG A 33 -1.850 -6.888 -4.024 1.00 0.00 C ATOM 497 CD ARG A 33 -1.328 -6.386 -5.366 1.00 0.00 C ATOM 498 NE ARG A 33 -0.264 -7.232 -5.916 1.00 0.00 N ATOM 499 CZ ARG A 33 0.557 -6.843 -6.894 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.528 -5.582 -7.309 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.450 -7.692 -7.399 1.00 0.00 N ATOM 0 H ARG A 33 -4.839 -7.698 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.247 -8.189 -6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.695 -8.617 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.562 -8.975 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.645 -6.227 -3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.050 -6.837 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.153 -6.340 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.953 -5.370 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.145 -8.169 -5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.118 -4.919 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.152 -5.276 -8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.509 -8.644 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.075 -7.390 -8.146 1.00 0.00 H new ATOM 515 N SER A 34 -3.884 -10.579 -6.279 1.00 0.00 N ATOM 516 CA SER A 34 -4.209 -11.990 -6.430 1.00 0.00 C ATOM 517 C SER A 34 -3.021 -12.865 -6.037 1.00 0.00 C ATOM 518 O SER A 34 -3.121 -14.093 -5.999 1.00 0.00 O ATOM 519 CB SER A 34 -4.632 -12.276 -7.870 1.00 0.00 C ATOM 520 OG SER A 34 -5.735 -11.463 -8.246 1.00 0.00 O ATOM 0 H SER A 34 -3.638 -10.105 -7.148 1.00 0.00 H new ATOM 0 HA SER A 34 -5.038 -12.229 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.794 -12.093 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.899 -13.328 -7.973 1.00 0.00 H new ATOM 0 HG SER A 34 -5.987 -11.662 -9.172 1.00 0.00 H new ATOM 526 N ASP A 35 -1.888 -12.219 -5.762 1.00 0.00 N ATOM 527 CA ASP A 35 -0.674 -12.920 -5.388 1.00 0.00 C ATOM 528 C ASP A 35 -0.534 -13.056 -3.887 1.00 0.00 C ATOM 529 O ASP A 35 0.427 -13.649 -3.399 1.00 0.00 O ATOM 530 CB ASP A 35 0.554 -12.202 -5.927 1.00 0.00 C ATOM 531 CG ASP A 35 0.247 -11.091 -6.904 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.330 -10.070 -6.477 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.593 -11.230 -8.090 1.00 0.00 O ATOM 0 H ASP A 35 -1.792 -11.204 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.747 -13.916 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.115 -11.788 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.201 -12.931 -6.415 1.00 0.00 H new ATOM 538 N GLY A 36 -1.479 -12.490 -3.165 1.00 0.00 N ATOM 539 CA GLY A 36 -1.435 -12.540 -1.716 1.00 0.00 C ATOM 540 C GLY A 36 -0.270 -11.756 -1.154 1.00 0.00 C ATOM 541 O GLY A 36 0.425 -12.213 -0.248 1.00 0.00 O ATOM 0 H GLY A 36 -2.281 -11.994 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.367 -12.144 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.363 -13.578 -1.392 1.00 0.00 H new ATOM 545 N PHE A 37 -0.050 -10.568 -1.700 1.00 0.00 N ATOM 546 CA PHE A 37 1.034 -9.710 -1.250 1.00 0.00 C ATOM 547 C PHE A 37 0.484 -8.530 -0.468 1.00 0.00 C ATOM 548 O PHE A 37 -0.477 -7.885 -0.897 1.00 0.00 O ATOM 549 CB PHE A 37 1.852 -9.202 -2.441 1.00 0.00 C ATOM 550 CG PHE A 37 2.991 -10.098 -2.830 1.00 0.00 C ATOM 551 CD1 PHE A 37 2.769 -11.413 -3.200 1.00 0.00 C ATOM 552 CD2 PHE A 37 4.289 -9.614 -2.837 1.00 0.00 C ATOM 553 CE1 PHE A 37 3.820 -12.231 -3.568 1.00 0.00 C ATOM 554 CE2 PHE A 37 5.344 -10.426 -3.202 1.00 0.00 C ATOM 555 CZ PHE A 37 5.110 -11.735 -3.568 1.00 0.00 C ATOM 0 H PHE A 37 -0.610 -10.177 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 37 1.684 -10.298 -0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.189 -9.082 -3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.246 -8.214 -2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.762 -11.804 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.478 -8.589 -2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.634 -13.255 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.351 -10.037 -3.201 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.934 -12.372 -3.854 1.00 0.00 H new ATOM 565 N LEU A 38 1.099 -8.247 0.672 1.00 0.00 N ATOM 566 CA LEU A 38 0.678 -7.133 1.508 1.00 0.00 C ATOM 567 C LEU A 38 1.218 -5.829 0.947 1.00 0.00 C ATOM 568 O LEU A 38 2.412 -5.708 0.666 1.00 0.00 O ATOM 569 CB LEU A 38 1.151 -7.311 2.950 1.00 0.00 C ATOM 570 CG LEU A 38 0.575 -8.520 3.698 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.322 -9.797 3.340 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.611 -8.281 5.199 1.00 0.00 C ATOM 0 H LEU A 38 1.891 -8.774 1.039 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.412 -7.106 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.238 -7.393 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.900 -6.409 3.508 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.463 -8.644 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.891 -10.636 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.238 -9.979 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.373 -9.691 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.199 -9.148 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.642 -8.125 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.018 -7.399 5.441 1.00 0.00 H new ATOM 584 N TRP A 39 0.347 -4.855 0.765 1.00 0.00 N ATOM 585 CA TRP A 39 0.775 -3.583 0.216 1.00 0.00 C ATOM 586 C TRP A 39 0.118 -2.410 0.926 1.00 0.00 C ATOM 587 O TRP A 39 -0.819 -2.574 1.715 1.00 0.00 O ATOM 588 CB TRP A 39 0.475 -3.515 -1.288 1.00 0.00 C ATOM 589 CG TRP A 39 -0.989 -3.536 -1.621 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.801 -4.631 -1.683 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.823 -2.405 -1.919 1.00 0.00 C ATOM 592 NE1 TRP A 39 -3.074 -4.254 -2.016 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.114 -2.898 -2.165 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.607 -1.027 -2.008 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.174 -2.068 -2.498 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.667 -0.204 -2.333 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.936 -0.729 -2.574 1.00 0.00 C ATOM 0 H TRP A 39 -0.647 -4.918 0.985 1.00 0.00 H new ATOM 0 HA TRP A 39 1.851 -3.511 0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.917 -2.605 -1.695 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.962 -4.355 -1.783 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.485 -5.647 -1.497 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.866 -4.886 -2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.627 -0.612 -1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.157 -2.471 -2.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.511 0.862 -2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.746 -0.061 -2.826 1.00 0.00 H new ATOM 608 N CYS A 40 0.619 -1.229 0.621 1.00 0.00 N ATOM 609 CA CYS A 40 0.108 0.008 1.178 1.00 0.00 C ATOM 610 C CYS A 40 0.392 1.119 0.183 1.00 0.00 C ATOM 611 O CYS A 40 1.171 0.926 -0.752 1.00 0.00 O ATOM 612 CB CYS A 40 0.783 0.319 2.517 1.00 0.00 C ATOM 613 SG CYS A 40 2.550 0.760 2.370 1.00 0.00 S ATOM 0 H CYS A 40 1.398 -1.100 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.963 -0.081 1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.252 1.141 2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.688 -0.548 3.171 1.00 0.00 H new ATOM 618 N SER A 41 -0.219 2.272 0.365 1.00 0.00 N ATOM 619 CA SER A 41 0.018 3.380 -0.545 1.00 0.00 C ATOM 620 C SER A 41 0.799 4.467 0.167 1.00 0.00 C ATOM 621 O SER A 41 0.847 4.502 1.397 1.00 0.00 O ATOM 622 CB SER A 41 -1.298 3.944 -1.083 1.00 0.00 C ATOM 623 OG SER A 41 -1.078 4.799 -2.195 1.00 0.00 O ATOM 0 H SER A 41 -0.874 2.468 1.122 1.00 0.00 H new ATOM 0 HA SER A 41 0.597 3.012 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.954 3.125 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.809 4.495 -0.294 1.00 0.00 H new ATOM 0 HG SER A 41 -0.484 4.356 -2.836 1.00 0.00 H new ATOM 629 N THR A 42 1.409 5.342 -0.610 1.00 0.00 N ATOM 630 CA THR A 42 2.185 6.431 -0.084 1.00 0.00 C ATOM 631 C THR A 42 1.308 7.665 0.071 1.00 0.00 C ATOM 632 O THR A 42 1.618 8.582 0.831 1.00 0.00 O ATOM 633 CB THR A 42 3.324 6.702 -1.050 1.00 0.00 C ATOM 634 OG1 THR A 42 2.916 6.427 -2.379 1.00 0.00 O ATOM 635 CG2 THR A 42 4.576 5.900 -0.771 1.00 0.00 C ATOM 0 H THR A 42 1.375 5.310 -1.629 1.00 0.00 H new ATOM 0 HA THR A 42 2.584 6.178 0.898 1.00 0.00 H new ATOM 0 HB THR A 42 3.570 7.755 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.658 6.607 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.341 6.152 -1.505 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.942 6.133 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.348 4.836 -0.835 1.00 0.00 H new ATOM 643 N THR A 43 0.205 7.657 -0.657 1.00 0.00 N ATOM 644 CA THR A 43 -0.759 8.737 -0.635 1.00 0.00 C ATOM 645 C THR A 43 -2.054 8.236 -0.003 1.00 0.00 C ATOM 646 O THR A 43 -2.164 7.057 0.348 1.00 0.00 O ATOM 647 CB THR A 43 -0.980 9.245 -2.060 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.980 10.247 -2.117 1.00 0.00 O ATOM 649 CG2 THR A 43 -1.370 8.151 -3.010 1.00 0.00 C ATOM 0 H THR A 43 -0.046 6.893 -1.284 1.00 0.00 H new ATOM 0 HA THR A 43 -0.391 9.570 -0.036 1.00 0.00 H new ATOM 0 HB THR A 43 -0.019 9.660 -2.363 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.079 10.558 -3.041 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.514 8.569 -4.006 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.582 7.399 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.298 7.690 -2.672 1.00 0.00 H new ATOM 657 N TYR A 44 -3.030 9.118 0.146 1.00 0.00 N ATOM 658 CA TYR A 44 -4.307 8.737 0.738 1.00 0.00 C ATOM 659 C TYR A 44 -5.168 8.043 -0.305 1.00 0.00 C ATOM 660 O TYR A 44 -5.378 6.833 -0.239 1.00 0.00 O ATOM 661 CB TYR A 44 -5.027 9.959 1.311 1.00 0.00 C ATOM 662 CG TYR A 44 -6.253 9.610 2.132 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.152 8.798 3.258 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.509 10.089 1.786 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.265 8.478 4.012 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.623 9.770 2.536 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.495 8.967 3.645 1.00 0.00 C ATOM 668 OH TYR A 44 -9.603 8.655 4.391 1.00 0.00 O ATOM 0 H TYR A 44 -2.965 10.097 -0.132 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.122 8.045 1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.331 10.522 1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.323 10.614 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.186 8.411 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.616 10.721 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.168 7.848 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.593 10.150 2.252 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.393 9.081 3.997 1.00 0.00 H new ATOM 678 N ASN A 45 -5.644 8.804 -1.286 1.00 0.00 N ATOM 679 CA ASN A 45 -6.454 8.236 -2.357 1.00 0.00 C ATOM 680 C ASN A 45 -5.537 7.476 -3.307 1.00 0.00 C ATOM 681 O ASN A 45 -4.813 8.077 -4.101 1.00 0.00 O ATOM 682 CB ASN A 45 -7.216 9.344 -3.102 1.00 0.00 C ATOM 683 CG ASN A 45 -8.247 8.861 -4.082 1.00 0.00 C ATOM 684 OD1 ASN A 45 -8.175 7.620 -4.499 1.00 0.00 O flip ATOM 685 ND2 ASN A 45 -9.101 9.637 -4.507 1.00 0.00 N flip ATOM 0 H ASN A 45 -5.484 9.809 -1.361 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.194 7.553 -1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.707 9.983 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.495 9.965 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.133 10.597 -4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.777 9.320 -5.202 1.00 0.00 H new ATOM 692 N PHE A 46 -5.553 6.155 -3.192 1.00 0.00 N ATOM 693 CA PHE A 46 -4.700 5.289 -4.004 1.00 0.00 C ATOM 694 C PHE A 46 -4.992 5.394 -5.499 1.00 0.00 C ATOM 695 O PHE A 46 -4.089 5.646 -6.289 1.00 0.00 O ATOM 696 CB PHE A 46 -4.847 3.834 -3.554 1.00 0.00 C ATOM 697 CG PHE A 46 -4.052 2.868 -4.400 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.669 2.963 -4.474 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.686 1.874 -5.130 1.00 0.00 C ATOM 700 CE1 PHE A 46 -1.942 2.087 -5.254 1.00 0.00 C ATOM 701 CE2 PHE A 46 -3.960 0.994 -5.910 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.588 1.101 -5.972 1.00 0.00 C ATOM 0 H PHE A 46 -6.153 5.653 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.676 5.630 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.526 3.747 -2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.900 3.555 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.156 3.731 -3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.762 1.786 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.867 2.173 -5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.468 0.223 -6.470 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.019 0.415 -6.581 1.00 0.00 H new ATOM 712 N GLU A 47 -6.244 5.158 -5.877 1.00 0.00 N ATOM 713 CA GLU A 47 -6.663 5.180 -7.282 1.00 0.00 C ATOM 714 C GLU A 47 -6.252 6.466 -8.010 1.00 0.00 C ATOM 715 O GLU A 47 -5.841 6.425 -9.171 1.00 0.00 O ATOM 716 CB GLU A 47 -8.179 5.011 -7.358 1.00 0.00 C ATOM 717 CG GLU A 47 -8.671 4.464 -8.688 1.00 0.00 C ATOM 718 CD GLU A 47 -10.177 4.416 -8.765 1.00 0.00 C ATOM 719 OE1 GLU A 47 -10.805 5.481 -8.614 1.00 0.00 O ATOM 720 OE2 GLU A 47 -10.733 3.318 -8.966 1.00 0.00 O ATOM 0 H GLU A 47 -6.998 4.946 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.156 4.356 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.501 4.342 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.652 5.976 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.288 5.085 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.270 3.462 -8.837 1.00 0.00 H new ATOM 727 N LYS A 48 -6.394 7.598 -7.332 1.00 0.00 N ATOM 728 CA LYS A 48 -6.068 8.900 -7.918 1.00 0.00 C ATOM 729 C LYS A 48 -4.591 9.010 -8.307 1.00 0.00 C ATOM 730 O LYS A 48 -4.267 9.389 -9.433 1.00 0.00 O ATOM 731 CB LYS A 48 -6.433 10.024 -6.923 1.00 0.00 C ATOM 732 CG LYS A 48 -5.840 11.413 -7.228 1.00 0.00 C ATOM 733 CD LYS A 48 -6.133 12.397 -6.102 1.00 0.00 C ATOM 734 CE LYS A 48 -7.625 12.541 -5.844 1.00 0.00 C ATOM 735 NZ LYS A 48 -8.356 13.064 -7.029 1.00 0.00 N ATOM 0 H LYS A 48 -6.734 7.645 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.653 9.004 -8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.519 10.114 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.107 9.722 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.763 11.328 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.255 11.791 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.638 12.062 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.713 13.371 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.038 11.572 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.782 13.211 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.349 13.241 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.916 13.952 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.315 12.365 -7.798 1.00 0.00 H new ATOM 749 N ASP A 49 -3.702 8.711 -7.369 1.00 0.00 N ATOM 750 CA ASP A 49 -2.266 8.812 -7.618 1.00 0.00 C ATOM 751 C ASP A 49 -1.710 7.586 -8.337 1.00 0.00 C ATOM 752 O ASP A 49 -1.052 7.714 -9.372 1.00 0.00 O ATOM 753 CB ASP A 49 -1.524 9.048 -6.305 1.00 0.00 C ATOM 754 CG ASP A 49 -1.466 10.517 -5.949 1.00 0.00 C ATOM 755 OD1 ASP A 49 -0.892 11.290 -6.738 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.000 10.900 -4.889 1.00 0.00 O ATOM 0 H ASP A 49 -3.947 8.397 -6.430 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.109 9.663 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.019 8.499 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.511 8.653 -6.384 1.00 0.00 H new ATOM 761 N GLY A 50 -1.982 6.406 -7.800 1.00 0.00 N ATOM 762 CA GLY A 50 -1.513 5.180 -8.413 1.00 0.00 C ATOM 763 C GLY A 50 -0.152 4.729 -7.913 1.00 0.00 C ATOM 764 O GLY A 50 0.539 3.969 -8.590 1.00 0.00 O ATOM 0 H GLY A 50 -2.523 6.275 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.239 4.389 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.466 5.319 -9.493 1.00 0.00 H new ATOM 768 N LYS A 51 0.235 5.180 -6.724 1.00 0.00 N ATOM 769 CA LYS A 51 1.521 4.794 -6.148 1.00 0.00 C ATOM 770 C LYS A 51 1.332 3.657 -5.150 1.00 0.00 C ATOM 771 O LYS A 51 0.611 3.801 -4.160 1.00 0.00 O ATOM 772 CB LYS A 51 2.205 5.981 -5.465 1.00 0.00 C ATOM 773 CG LYS A 51 2.690 7.046 -6.423 1.00 0.00 C ATOM 774 CD LYS A 51 1.919 8.340 -6.251 1.00 0.00 C ATOM 775 CE LYS A 51 2.395 9.408 -7.225 1.00 0.00 C ATOM 776 NZ LYS A 51 3.863 9.630 -7.140 1.00 0.00 N ATOM 0 H LYS A 51 -0.319 5.809 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 51 2.163 4.456 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.508 6.432 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.053 5.615 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.752 7.229 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.583 6.691 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.856 8.154 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.035 8.701 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.132 9.114 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.875 10.343 -7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.110 10.511 -7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.146 9.702 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.361 8.833 -7.585 1.00 0.00 H new ATOM 790 N TYR A 52 1.972 2.526 -5.411 1.00 0.00 N ATOM 791 CA TYR A 52 1.860 1.378 -4.527 1.00 0.00 C ATOM 792 C TYR A 52 3.229 0.792 -4.227 1.00 0.00 C ATOM 793 O TYR A 52 4.226 1.147 -4.857 1.00 0.00 O ATOM 794 CB TYR A 52 0.959 0.305 -5.155 1.00 0.00 C ATOM 795 CG TYR A 52 1.611 -0.464 -6.285 1.00 0.00 C ATOM 796 CD1 TYR A 52 2.363 -1.605 -6.032 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.493 -0.038 -7.600 1.00 0.00 C ATOM 798 CE1 TYR A 52 2.975 -2.299 -7.053 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.101 -0.731 -8.630 1.00 0.00 C ATOM 800 CZ TYR A 52 2.842 -1.862 -8.351 1.00 0.00 C ATOM 801 OH TYR A 52 3.454 -2.554 -9.370 1.00 0.00 O ATOM 0 H TYR A 52 2.571 2.380 -6.224 1.00 0.00 H new ATOM 0 HA TYR A 52 1.413 1.714 -3.591 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.654 -0.398 -4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.052 0.780 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.470 -1.954 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.917 0.848 -7.822 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.557 -3.182 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.997 -0.389 -9.649 1.00 0.00 H new ATOM 0 HH TYR A 52 3.261 -2.116 -10.225 1.00 0.00 H new ATOM 811 N GLY A 53 3.257 -0.121 -3.277 1.00 0.00 N ATOM 812 CA GLY A 53 4.478 -0.779 -2.894 1.00 0.00 C ATOM 813 C GLY A 53 4.200 -1.853 -1.877 1.00 0.00 C ATOM 814 O GLY A 53 3.134 -1.858 -1.261 1.00 0.00 O ATOM 0 H GLY A 53 2.435 -0.423 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.954 -1.216 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.177 -0.051 -2.482 1.00 0.00 H new ATOM 818 N PHE A 54 5.136 -2.767 -1.691 1.00 0.00 N ATOM 819 CA PHE A 54 4.943 -3.842 -0.733 1.00 0.00 C ATOM 820 C PHE A 54 5.610 -3.493 0.586 1.00 0.00 C ATOM 821 O PHE A 54 6.670 -2.858 0.605 1.00 0.00 O ATOM 822 CB PHE A 54 5.462 -5.162 -1.298 1.00 0.00 C ATOM 823 CG PHE A 54 4.790 -5.523 -2.591 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.414 -5.657 -2.649 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.526 -5.701 -3.753 1.00 0.00 C ATOM 826 CE1 PHE A 54 2.782 -5.959 -3.835 1.00 0.00 C ATOM 827 CE2 PHE A 54 4.898 -6.011 -4.946 1.00 0.00 C ATOM 828 CZ PHE A 54 3.525 -6.138 -4.986 1.00 0.00 C ATOM 0 H PHE A 54 6.028 -2.788 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 54 3.876 -3.965 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.538 -5.091 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.299 -5.957 -0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.828 -5.523 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.601 -5.597 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.707 -6.056 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.481 -6.153 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.031 -6.377 -5.916 1.00 0.00 H new ATOM 838 N CYS A 55 4.975 -3.871 1.684 1.00 0.00 N ATOM 839 CA CYS A 55 5.493 -3.552 3.006 1.00 0.00 C ATOM 840 C CYS A 55 5.666 -4.785 3.885 1.00 0.00 C ATOM 841 O CYS A 55 4.753 -5.167 4.617 1.00 0.00 O ATOM 842 CB CYS A 55 4.553 -2.558 3.689 1.00 0.00 C ATOM 843 SG CYS A 55 2.796 -2.771 3.229 1.00 0.00 S ATOM 0 H CYS A 55 4.102 -4.398 1.687 1.00 0.00 H new ATOM 0 HA CYS A 55 6.483 -3.115 2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.652 -2.662 4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.865 -1.545 3.437 1.00 0.00 H new ATOM 848 N PRO A 56 6.860 -5.404 3.858 1.00 0.00 N ATOM 849 CA PRO A 56 7.167 -6.568 4.681 1.00 0.00 C ATOM 850 C PRO A 56 7.557 -6.140 6.094 1.00 0.00 C ATOM 851 O PRO A 56 8.696 -6.334 6.525 1.00 0.00 O ATOM 852 CB PRO A 56 8.348 -7.227 3.966 1.00 0.00 C ATOM 853 CG PRO A 56 8.754 -6.300 2.853 1.00 0.00 C ATOM 854 CD PRO A 56 8.016 -5.003 3.059 1.00 0.00 C ATOM 0 HA PRO A 56 6.317 -7.242 4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.176 -7.389 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.066 -8.203 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.831 -6.135 2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.508 -6.733 1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.630 -4.268 3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.716 -4.555 2.112 1.00 0.00 H new ATOM 862 N HIS A 57 6.598 -5.525 6.780 1.00 0.00 N ATOM 863 CA HIS A 57 6.784 -5.010 8.139 1.00 0.00 C ATOM 864 C HIS A 57 7.270 -6.081 9.113 1.00 0.00 C ATOM 865 O HIS A 57 8.172 -5.832 9.913 1.00 0.00 O ATOM 866 CB HIS A 57 5.474 -4.373 8.632 1.00 0.00 C ATOM 867 CG HIS A 57 4.278 -5.267 8.484 1.00 0.00 C ATOM 868 ND1 HIS A 57 3.902 -6.204 9.424 1.00 0.00 N ATOM 869 CD2 HIS A 57 3.400 -5.393 7.462 1.00 0.00 C ATOM 870 CE1 HIS A 57 2.851 -6.870 8.982 1.00 0.00 C ATOM 871 NE2 HIS A 57 2.525 -6.394 7.797 1.00 0.00 N ATOM 0 H HIS A 57 5.661 -5.367 6.408 1.00 0.00 H new ATOM 0 HA HIS A 57 7.567 -4.253 8.102 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.585 -4.100 9.681 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.298 -3.450 8.079 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.390 -4.813 6.551 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.345 -7.669 9.503 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.747 -6.718 7.222 1.00 0.00 H new ATOM 879 N GLU A 58 6.676 -7.264 9.056 1.00 0.00 N ATOM 880 CA GLU A 58 7.072 -8.346 9.948 1.00 0.00 C ATOM 881 C GLU A 58 8.286 -9.095 9.396 1.00 0.00 C ATOM 882 O GLU A 58 8.162 -10.026 8.593 1.00 0.00 O ATOM 883 CB GLU A 58 5.895 -9.301 10.222 1.00 0.00 C ATOM 884 CG GLU A 58 5.204 -9.853 8.979 1.00 0.00 C ATOM 885 CD GLU A 58 3.940 -10.606 9.310 1.00 0.00 C ATOM 886 OE1 GLU A 58 3.043 -10.020 9.945 1.00 0.00 O ATOM 887 OE2 GLU A 58 3.838 -11.786 8.931 1.00 0.00 O ATOM 0 H GLU A 58 5.924 -7.499 8.408 1.00 0.00 H new ATOM 0 HA GLU A 58 7.363 -7.906 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.258 -10.138 10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.155 -8.776 10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.968 -9.031 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.889 -10.514 8.449 1.00 0.00 H new ATOM 894 N ALA A 59 9.465 -8.671 9.832 1.00 0.00 N ATOM 895 CA ALA A 59 10.716 -9.277 9.400 1.00 0.00 C ATOM 896 C ALA A 59 11.670 -9.416 10.577 1.00 0.00 C ATOM 897 O ALA A 59 11.531 -8.643 11.542 1.00 0.00 O ATOM 898 CB ALA A 59 11.360 -8.445 8.306 1.00 0.00 C ATOM 0 H ALA A 59 9.580 -7.901 10.492 1.00 0.00 H new ATOM 0 HA ALA A 59 10.498 -10.268 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.294 -8.913 7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.685 -8.381 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.564 -7.443 8.683 1.00 0.00 H new TER 904 ALA A 59