USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 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 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -125:sc= 1.16 (180deg=-1.03) USER MOD Set 2.1: A 41 SER OG : rot 30:sc= 1.27 USER MOD Set 2.2: A 43 THR OG1 : rot 118:sc=-0.00752 USER MOD Set 3.1: A 25 TYR OH : rot 124:sc= -0.227 USER MOD Set 3.2: A 29 THR OG1 : rot 120:sc= 1.04 USER MOD Set 3.3: A 31 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 130:sc= 1.25 USER MOD Single : A 8 ASN : amide:sc= -0.265 K(o=-0.26,f=-4.3!) 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= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.33 K(o=-0.33,f=-0.94) 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 42 THR OG1 : rot 174:sc= 0.671 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0354 F(o=-4.6!,f=-0.035) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0.315 K(o=0.31,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.998 4.507 10.319 1.00 0.00 N ATOM 2 CA ARG A 1 6.191 4.486 9.076 1.00 0.00 C ATOM 3 C ARG A 1 7.051 4.859 7.875 1.00 0.00 C ATOM 4 O ARG A 1 7.185 6.040 7.549 1.00 0.00 O ATOM 5 CB ARG A 1 5.056 5.491 9.239 1.00 0.00 C ATOM 6 CG ARG A 1 3.980 5.401 8.172 1.00 0.00 C ATOM 7 CD ARG A 1 3.087 6.618 8.223 1.00 0.00 C ATOM 8 NE ARG A 1 3.823 7.808 7.826 1.00 0.00 N ATOM 9 CZ ARG A 1 3.445 9.051 8.118 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.386 9.267 8.883 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.146 10.077 7.671 1.00 0.00 N ATOM 0 H1 ARG A 1 6.397 4.250 11.128 1.00 0.00 H new ATOM 0 H2 ARG A 1 7.779 3.825 10.238 1.00 0.00 H new ATOM 0 H3 ARG A 1 7.386 5.461 10.465 1.00 0.00 H new ATOM 0 HA ARG A 1 5.794 3.486 8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.595 5.345 10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.474 6.497 9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.441 5.321 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.386 4.499 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.231 6.476 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.694 6.746 9.232 1.00 0.00 H new ATOM 0 HE ARG A 1 4.682 7.683 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.854 8.479 9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.102 10.222 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.977 9.917 7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.856 11.029 7.895 1.00 0.00 H new ATOM 27 N ILE A 2 7.633 3.857 7.222 1.00 0.00 N ATOM 28 CA ILE A 2 8.485 4.094 6.060 1.00 0.00 C ATOM 29 C ILE A 2 8.950 2.806 5.305 1.00 0.00 C ATOM 30 O ILE A 2 9.541 2.935 4.232 1.00 0.00 O ATOM 31 CB ILE A 2 9.732 4.917 6.485 1.00 0.00 C ATOM 32 CG1 ILE A 2 10.352 5.647 5.288 1.00 0.00 C ATOM 33 CG2 ILE A 2 10.774 4.030 7.162 1.00 0.00 C ATOM 34 CD1 ILE A 2 11.515 6.546 5.664 1.00 0.00 C ATOM 0 H ILE A 2 7.531 2.875 7.477 1.00 0.00 H new ATOM 0 HA ILE A 2 7.863 4.643 5.354 1.00 0.00 H new ATOM 0 HB ILE A 2 9.397 5.664 7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.693 4.911 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.583 6.246 4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.635 4.634 7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.340 3.572 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.092 3.249 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 2 11.905 7.030 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.175 7.305 6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.302 5.949 6.125 1.00 0.00 H new ATOM 46 N PRO A 3 8.752 1.545 5.816 1.00 0.00 N ATOM 47 CA PRO A 3 9.237 0.344 5.109 1.00 0.00 C ATOM 48 C PRO A 3 8.478 -0.023 3.831 1.00 0.00 C ATOM 49 O PRO A 3 7.777 -1.034 3.788 1.00 0.00 O ATOM 50 CB PRO A 3 9.089 -0.792 6.130 1.00 0.00 C ATOM 51 CG PRO A 3 8.799 -0.128 7.429 1.00 0.00 C ATOM 52 CD PRO A 3 8.115 1.166 7.086 1.00 0.00 C ATOM 0 HA PRO A 3 10.255 0.528 4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.283 -1.470 5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.000 -1.387 6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.161 -0.753 8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.716 0.052 7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.038 1.037 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.269 1.921 7.857 1.00 0.00 H new ATOM 60 N VAL A 4 8.674 0.757 2.778 1.00 0.00 N ATOM 61 CA VAL A 4 8.066 0.464 1.479 1.00 0.00 C ATOM 62 C VAL A 4 9.167 -0.040 0.551 1.00 0.00 C ATOM 63 O VAL A 4 10.259 0.529 0.526 1.00 0.00 O ATOM 64 CB VAL A 4 7.366 1.703 0.852 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.895 1.399 -0.557 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.177 2.145 1.689 1.00 0.00 C ATOM 0 H VAL A 4 9.249 1.599 2.793 1.00 0.00 H new ATOM 0 HA VAL A 4 7.290 -0.289 1.619 1.00 0.00 H new ATOM 0 HB VAL A 4 8.099 2.509 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.408 2.280 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.750 1.128 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.187 0.570 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.708 3.013 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.454 1.332 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.515 2.407 2.691 1.00 0.00 H new ATOM 76 N LYS A 5 8.921 -1.119 -0.182 1.00 0.00 N ATOM 77 CA LYS A 5 9.959 -1.659 -1.047 1.00 0.00 C ATOM 78 C LYS A 5 9.570 -1.654 -2.525 1.00 0.00 C ATOM 79 O LYS A 5 9.708 -0.644 -3.215 1.00 0.00 O ATOM 80 CB LYS A 5 10.331 -3.084 -0.603 1.00 0.00 C ATOM 81 CG LYS A 5 11.822 -3.303 -0.341 1.00 0.00 C ATOM 82 CD LYS A 5 12.672 -3.048 -1.581 1.00 0.00 C ATOM 83 CE LYS A 5 13.026 -1.577 -1.728 1.00 0.00 C ATOM 84 NZ LYS A 5 13.542 -1.253 -3.081 1.00 0.00 N ATOM 0 H LYS A 5 8.036 -1.625 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 5 10.823 -1.002 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.777 -3.323 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.004 -3.786 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.148 -2.642 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.982 -4.325 0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.587 -3.638 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.132 -3.383 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.143 -0.971 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.775 -1.310 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.769 -0.239 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.400 -1.810 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.819 -1.482 -3.792 1.00 0.00 H new ATOM 98 N TYR A 6 9.141 -2.815 -3.005 1.00 0.00 N ATOM 99 CA TYR A 6 8.783 -3.003 -4.408 1.00 0.00 C ATOM 100 C TYR A 6 7.616 -2.109 -4.831 1.00 0.00 C ATOM 101 O TYR A 6 6.808 -1.684 -4.007 1.00 0.00 O ATOM 102 CB TYR A 6 8.465 -4.479 -4.656 1.00 0.00 C ATOM 103 CG TYR A 6 9.511 -5.413 -4.075 1.00 0.00 C ATOM 104 CD1 TYR A 6 10.806 -5.456 -4.589 1.00 0.00 C ATOM 105 CD2 TYR A 6 9.213 -6.236 -2.996 1.00 0.00 C ATOM 106 CE1 TYR A 6 11.761 -6.288 -4.047 1.00 0.00 C ATOM 107 CE2 TYR A 6 10.163 -7.072 -2.451 1.00 0.00 C ATOM 108 CZ TYR A 6 11.437 -7.094 -2.980 1.00 0.00 C ATOM 109 OH TYR A 6 12.389 -7.922 -2.437 1.00 0.00 O ATOM 0 H TYR A 6 9.031 -3.653 -2.434 1.00 0.00 H new ATOM 0 HA TYR A 6 9.635 -2.708 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.493 -4.714 -4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.385 -4.653 -5.729 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.065 -4.826 -5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.218 -6.220 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.760 -6.307 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.912 -7.707 -1.614 1.00 0.00 H new ATOM 0 HH TYR A 6 12.411 -7.802 -1.465 1.00 0.00 H new ATOM 119 N GLY A 7 7.558 -1.810 -6.121 1.00 0.00 N ATOM 120 CA GLY A 7 6.526 -0.944 -6.663 1.00 0.00 C ATOM 121 C GLY A 7 7.146 0.316 -7.203 1.00 0.00 C ATOM 122 O GLY A 7 8.321 0.314 -7.570 1.00 0.00 O ATOM 0 H GLY A 7 8.220 -2.158 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.984 -1.461 -7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.800 -0.699 -5.887 1.00 0.00 H new ATOM 126 N ASN A 8 6.392 1.400 -7.253 1.00 0.00 N ATOM 127 CA ASN A 8 6.958 2.649 -7.760 1.00 0.00 C ATOM 128 C ASN A 8 7.249 3.650 -6.645 1.00 0.00 C ATOM 129 O ASN A 8 7.888 4.675 -6.878 1.00 0.00 O ATOM 130 CB ASN A 8 6.082 3.304 -8.839 1.00 0.00 C ATOM 131 CG ASN A 8 4.665 3.604 -8.396 1.00 0.00 C ATOM 132 OD1 ASN A 8 4.406 3.954 -7.242 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.739 3.503 -9.330 1.00 0.00 N ATOM 0 H ASN A 8 5.416 1.449 -6.960 1.00 0.00 H new ATOM 0 HA ASN A 8 7.904 2.368 -8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.554 4.233 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.047 2.648 -9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.767 3.718 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.995 3.210 -10.273 1.00 0.00 H new ATOM 140 N ALA A 9 6.787 3.350 -5.440 1.00 0.00 N ATOM 141 CA ALA A 9 7.005 4.219 -4.286 1.00 0.00 C ATOM 142 C ALA A 9 8.396 3.982 -3.699 1.00 0.00 C ATOM 143 O ALA A 9 8.538 3.395 -2.624 1.00 0.00 O ATOM 144 CB ALA A 9 5.950 3.960 -3.222 1.00 0.00 C ATOM 0 H ALA A 9 6.254 2.505 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 9 6.929 5.255 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.126 4.615 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.961 4.159 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.006 2.920 -2.899 1.00 0.00 H new ATOM 150 N ASP A 10 9.425 4.418 -4.419 1.00 0.00 N ATOM 151 CA ASP A 10 10.801 4.230 -3.971 1.00 0.00 C ATOM 152 C ASP A 10 11.177 5.243 -2.900 1.00 0.00 C ATOM 153 O ASP A 10 11.393 6.420 -3.196 1.00 0.00 O ATOM 154 CB ASP A 10 11.772 4.333 -5.149 1.00 0.00 C ATOM 155 CG ASP A 10 11.629 3.174 -6.108 1.00 0.00 C ATOM 156 OD1 ASP A 10 11.814 2.020 -5.671 1.00 0.00 O ATOM 157 OD2 ASP A 10 11.333 3.411 -7.291 1.00 0.00 O ATOM 0 H ASP A 10 9.333 4.902 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 10 10.872 3.232 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.596 5.267 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.795 4.368 -4.773 1.00 0.00 H new ATOM 162 N GLY A 11 11.255 4.780 -1.660 1.00 0.00 N ATOM 163 CA GLY A 11 11.609 5.657 -0.559 1.00 0.00 C ATOM 164 C GLY A 11 10.407 6.339 0.061 1.00 0.00 C ATOM 165 O GLY A 11 10.556 7.227 0.897 1.00 0.00 O ATOM 0 H GLY A 11 11.079 3.811 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.128 5.080 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.307 6.415 -0.915 1.00 0.00 H new ATOM 169 N GLU A 12 9.210 5.929 -0.341 1.00 0.00 N ATOM 170 CA GLU A 12 7.991 6.518 0.192 1.00 0.00 C ATOM 171 C GLU A 12 7.518 5.777 1.442 1.00 0.00 C ATOM 172 O GLU A 12 8.064 4.740 1.807 1.00 0.00 O ATOM 173 CB GLU A 12 6.912 6.546 -0.890 1.00 0.00 C ATOM 174 CG GLU A 12 7.043 7.745 -1.825 1.00 0.00 C ATOM 175 CD GLU A 12 6.458 7.506 -3.199 1.00 0.00 C ATOM 176 OE1 GLU A 12 5.240 7.268 -3.299 1.00 0.00 O ATOM 177 OE2 GLU A 12 7.217 7.569 -4.183 1.00 0.00 O ATOM 0 H GLU A 12 9.059 5.194 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 12 8.200 7.544 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.966 5.628 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.930 6.565 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.548 8.604 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.097 8.002 -1.927 1.00 0.00 H new ATOM 184 N TYR A 13 6.528 6.350 2.115 1.00 0.00 N ATOM 185 CA TYR A 13 5.997 5.795 3.339 1.00 0.00 C ATOM 186 C TYR A 13 4.552 5.331 3.165 1.00 0.00 C ATOM 187 O TYR A 13 3.822 5.864 2.331 1.00 0.00 O ATOM 188 CB TYR A 13 6.122 6.867 4.402 1.00 0.00 C ATOM 189 CG TYR A 13 5.171 8.014 4.236 1.00 0.00 C ATOM 190 CD1 TYR A 13 3.845 7.903 4.622 1.00 0.00 C ATOM 191 CD2 TYR A 13 5.606 9.207 3.698 1.00 0.00 C ATOM 192 CE1 TYR A 13 2.970 8.957 4.473 1.00 0.00 C ATOM 193 CE2 TYR A 13 4.740 10.273 3.540 1.00 0.00 C ATOM 194 CZ TYR A 13 3.421 10.145 3.932 1.00 0.00 C ATOM 195 OH TYR A 13 2.553 11.204 3.789 1.00 0.00 O ATOM 0 H TYR A 13 6.074 7.215 1.821 1.00 0.00 H new ATOM 0 HA TYR A 13 6.556 4.906 3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.959 6.414 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.142 7.252 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.491 6.975 5.047 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.638 9.310 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.939 8.855 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.092 11.200 3.113 1.00 0.00 H new ATOM 0 HH TYR A 13 3.028 11.965 3.394 1.00 0.00 H new ATOM 205 N CYS A 14 4.132 4.349 3.963 1.00 0.00 N ATOM 206 CA CYS A 14 2.762 3.857 3.891 1.00 0.00 C ATOM 207 C CYS A 14 1.826 4.864 4.543 1.00 0.00 C ATOM 208 O CYS A 14 2.016 5.238 5.696 1.00 0.00 O ATOM 209 CB CYS A 14 2.621 2.503 4.587 1.00 0.00 C ATOM 210 SG CYS A 14 3.499 1.128 3.774 1.00 0.00 S ATOM 0 H CYS A 14 4.716 3.885 4.659 1.00 0.00 H new ATOM 0 HA CYS A 14 2.500 3.729 2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.989 2.596 5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.562 2.252 4.651 1.00 0.00 H new ATOM 215 N LYS A 15 0.829 5.311 3.805 1.00 0.00 N ATOM 216 CA LYS A 15 -0.118 6.288 4.320 1.00 0.00 C ATOM 217 C LYS A 15 -1.316 5.582 4.942 1.00 0.00 C ATOM 218 O LYS A 15 -2.156 5.028 4.238 1.00 0.00 O ATOM 219 CB LYS A 15 -0.575 7.214 3.188 1.00 0.00 C ATOM 220 CG LYS A 15 -0.801 8.661 3.607 1.00 0.00 C ATOM 221 CD LYS A 15 -2.007 8.814 4.516 1.00 0.00 C ATOM 222 CE LYS A 15 -2.236 10.271 4.889 1.00 0.00 C ATOM 223 NZ LYS A 15 -3.490 10.454 5.664 1.00 0.00 N ATOM 0 H LYS A 15 0.651 5.015 2.845 1.00 0.00 H new ATOM 0 HA LYS A 15 0.370 6.885 5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.171 7.191 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.501 6.822 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.087 9.032 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.938 9.277 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.893 8.420 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.861 8.223 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.391 10.633 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.278 10.875 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.609 11.460 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.299 10.133 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.440 9.898 6.541 1.00 0.00 H new ATOM 237 N PHE A 16 -1.388 5.604 6.263 1.00 0.00 N ATOM 238 CA PHE A 16 -2.490 4.967 6.966 1.00 0.00 C ATOM 239 C PHE A 16 -3.374 6.015 7.629 1.00 0.00 C ATOM 240 O PHE A 16 -2.876 6.908 8.318 1.00 0.00 O ATOM 241 CB PHE A 16 -1.973 4.002 8.031 1.00 0.00 C ATOM 242 CG PHE A 16 -1.072 2.916 7.515 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.459 2.109 6.460 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.156 2.689 8.109 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.640 1.090 6.012 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.985 1.678 7.666 1.00 0.00 C ATOM 247 CZ PHE A 16 0.590 0.873 6.613 1.00 0.00 C ATOM 0 H PHE A 16 -0.700 6.054 6.868 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.072 4.409 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.434 4.573 8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.826 3.541 8.528 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.412 2.277 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.471 3.313 8.932 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.959 0.462 5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.941 1.516 8.141 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.235 0.081 6.262 1.00 0.00 H new ATOM 257 N PRO A 17 -4.695 5.930 7.437 1.00 0.00 N ATOM 258 CA PRO A 17 -5.331 4.899 6.633 1.00 0.00 C ATOM 259 C PRO A 17 -5.549 5.346 5.191 1.00 0.00 C ATOM 260 O PRO A 17 -6.041 6.448 4.939 1.00 0.00 O ATOM 261 CB PRO A 17 -6.676 4.708 7.341 1.00 0.00 C ATOM 262 CG PRO A 17 -6.906 5.956 8.159 1.00 0.00 C ATOM 263 CD PRO A 17 -5.692 6.840 7.996 1.00 0.00 C ATOM 0 HA PRO A 17 -4.729 3.993 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.479 4.564 6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.658 3.824 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.804 6.474 7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.057 5.703 9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.891 7.679 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.367 7.259 8.948 1.00 0.00 H new ATOM 271 N PHE A 18 -5.197 4.495 4.244 1.00 0.00 N ATOM 272 CA PHE A 18 -5.379 4.841 2.839 1.00 0.00 C ATOM 273 C PHE A 18 -6.721 4.328 2.329 1.00 0.00 C ATOM 274 O PHE A 18 -7.144 3.219 2.663 1.00 0.00 O ATOM 275 CB PHE A 18 -4.223 4.325 1.957 1.00 0.00 C ATOM 276 CG PHE A 18 -4.099 2.827 1.860 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.544 2.090 2.891 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.529 2.162 0.721 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.418 0.717 2.789 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.410 0.790 0.612 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.852 0.061 1.647 1.00 0.00 C ATOM 0 H PHE A 18 -4.791 3.575 4.413 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.372 5.929 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.349 4.727 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.286 4.725 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.206 2.593 3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.963 2.725 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.981 0.154 3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.752 0.287 -0.280 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.755 -1.012 1.566 1.00 0.00 H new ATOM 291 N LEU A 19 -7.392 5.157 1.541 1.00 0.00 N ATOM 292 CA LEU A 19 -8.701 4.828 0.990 1.00 0.00 C ATOM 293 C LEU A 19 -8.592 3.927 -0.238 1.00 0.00 C ATOM 294 O LEU A 19 -8.110 4.347 -1.294 1.00 0.00 O ATOM 295 CB LEU A 19 -9.440 6.116 0.620 1.00 0.00 C ATOM 296 CG LEU A 19 -10.896 5.937 0.189 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.763 5.584 1.389 1.00 0.00 C ATOM 298 CD2 LEU A 19 -11.408 7.191 -0.508 1.00 0.00 C ATOM 0 H LEU A 19 -7.045 6.076 1.265 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.257 4.283 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.413 6.789 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.897 6.607 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.950 5.114 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.797 5.460 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.407 4.655 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.707 6.384 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.446 7.043 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.344 8.038 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.801 7.390 -1.391 1.00 0.00 H new ATOM 310 N PHE A 20 -9.067 2.700 -0.093 1.00 0.00 N ATOM 311 CA PHE A 20 -9.068 1.728 -1.175 1.00 0.00 C ATOM 312 C PHE A 20 -10.495 1.258 -1.406 1.00 0.00 C ATOM 313 O PHE A 20 -11.038 0.521 -0.583 1.00 0.00 O ATOM 314 CB PHE A 20 -8.222 0.510 -0.822 1.00 0.00 C ATOM 315 CG PHE A 20 -7.837 -0.339 -1.993 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.869 0.141 -3.296 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.454 -1.642 -1.774 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.518 -0.685 -4.350 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.110 -2.471 -2.818 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.141 -1.992 -4.108 1.00 0.00 C ATOM 0 H PHE A 20 -9.463 2.350 0.779 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.654 2.203 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.315 0.847 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.772 -0.104 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.168 1.161 -3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.423 -2.022 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.539 -0.308 -5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.817 -3.493 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.871 -2.637 -4.931 1.00 0.00 H new ATOM 330 N ASN A 21 -11.097 1.681 -2.511 1.00 0.00 N ATOM 331 CA ASN A 21 -12.470 1.300 -2.854 1.00 0.00 C ATOM 332 C ASN A 21 -13.459 1.687 -1.753 1.00 0.00 C ATOM 333 O ASN A 21 -14.518 1.074 -1.615 1.00 0.00 O ATOM 334 CB ASN A 21 -12.565 -0.206 -3.104 1.00 0.00 C ATOM 335 CG ASN A 21 -11.639 -0.685 -4.202 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.689 -0.199 -5.329 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.796 -1.655 -3.880 1.00 0.00 N ATOM 0 H ASN A 21 -10.654 2.295 -3.194 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.732 1.842 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.330 -0.737 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.592 -0.461 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.155 -2.027 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.788 -2.030 -2.931 1.00 0.00 H new ATOM 344 N GLY A 22 -13.110 2.701 -0.973 1.00 0.00 N ATOM 345 CA GLY A 22 -13.982 3.146 0.099 1.00 0.00 C ATOM 346 C GLY A 22 -13.604 2.587 1.457 1.00 0.00 C ATOM 347 O GLY A 22 -14.256 2.882 2.456 1.00 0.00 O ATOM 0 H GLY A 22 -12.239 3.224 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.962 4.235 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.007 2.855 -0.132 1.00 0.00 H new ATOM 351 N LYS A 23 -12.548 1.787 1.506 1.00 0.00 N ATOM 352 CA LYS A 23 -12.095 1.207 2.767 1.00 0.00 C ATOM 353 C LYS A 23 -10.714 1.737 3.124 1.00 0.00 C ATOM 354 O LYS A 23 -9.771 1.607 2.347 1.00 0.00 O ATOM 355 CB LYS A 23 -12.060 -0.324 2.683 1.00 0.00 C ATOM 356 CG LYS A 23 -11.751 -0.998 4.017 1.00 0.00 C ATOM 357 CD LYS A 23 -11.545 -2.498 3.869 1.00 0.00 C ATOM 358 CE LYS A 23 -12.824 -3.213 3.465 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.610 -4.675 3.319 1.00 0.00 N ATOM 0 H LYS A 23 -11.990 1.525 0.693 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.801 1.495 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.022 -0.682 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.310 -0.623 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.856 -0.551 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.568 -0.812 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.774 -2.686 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.183 -2.909 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.595 -3.031 4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.189 -2.802 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.503 -5.131 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.892 -4.849 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.285 -5.070 4.224 1.00 0.00 H new ATOM 373 N GLU A 24 -10.604 2.338 4.299 1.00 0.00 N ATOM 374 CA GLU A 24 -9.336 2.893 4.753 1.00 0.00 C ATOM 375 C GLU A 24 -8.551 1.861 5.556 1.00 0.00 C ATOM 376 O GLU A 24 -8.990 1.422 6.623 1.00 0.00 O ATOM 377 CB GLU A 24 -9.581 4.150 5.590 1.00 0.00 C ATOM 378 CG GLU A 24 -10.268 5.265 4.823 1.00 0.00 C ATOM 379 CD GLU A 24 -10.669 6.425 5.702 1.00 0.00 C ATOM 380 OE1 GLU A 24 -9.783 7.029 6.333 1.00 0.00 O ATOM 381 OE2 GLU A 24 -11.875 6.731 5.770 1.00 0.00 O ATOM 0 H GLU A 24 -11.376 2.454 4.955 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.744 3.164 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.189 3.887 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.627 4.516 5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.601 5.624 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.155 4.867 4.330 1.00 0.00 H new ATOM 388 N TYR A 25 -7.391 1.474 5.032 1.00 0.00 N ATOM 389 CA TYR A 25 -6.541 0.488 5.694 1.00 0.00 C ATOM 390 C TYR A 25 -5.470 1.150 6.541 1.00 0.00 C ATOM 391 O TYR A 25 -4.764 2.049 6.080 1.00 0.00 O ATOM 392 CB TYR A 25 -5.853 -0.426 4.681 1.00 0.00 C ATOM 393 CG TYR A 25 -6.792 -1.233 3.821 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.422 -0.656 2.729 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.046 -2.567 4.100 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.278 -1.389 1.926 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.904 -3.308 3.302 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.518 -2.713 2.220 1.00 0.00 C ATOM 399 OH TYR A 25 -9.368 -3.450 1.425 1.00 0.00 O ATOM 0 H TYR A 25 -7.018 1.828 4.151 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.199 -0.100 6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.221 0.182 4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.195 -1.110 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.241 0.384 2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.570 -3.035 4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.755 -0.926 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.091 -4.348 3.527 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.901 -4.246 1.097 1.00 0.00 H new ATOM 409 N ASN A 26 -5.325 0.665 7.765 1.00 0.00 N ATOM 410 CA ASN A 26 -4.306 1.167 8.678 1.00 0.00 C ATOM 411 C ASN A 26 -3.132 0.207 8.696 1.00 0.00 C ATOM 412 O ASN A 26 -2.176 0.379 9.451 1.00 0.00 O ATOM 413 CB ASN A 26 -4.869 1.351 10.086 1.00 0.00 C ATOM 414 CG ASN A 26 -5.790 2.548 10.175 1.00 0.00 C ATOM 415 OD1 ASN A 26 -5.340 3.694 10.182 1.00 0.00 O ATOM 416 ND2 ASN A 26 -7.087 2.293 10.219 1.00 0.00 N ATOM 0 H ASN A 26 -5.904 -0.081 8.152 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.971 2.144 8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.412 0.453 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.048 1.472 10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.757 3.061 10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.418 1.328 10.211 1.00 0.00 H new ATOM 423 N SER A 27 -3.214 -0.794 7.834 1.00 0.00 N ATOM 424 CA SER A 27 -2.173 -1.798 7.698 1.00 0.00 C ATOM 425 C SER A 27 -2.094 -2.249 6.245 1.00 0.00 C ATOM 426 O SER A 27 -3.010 -1.998 5.459 1.00 0.00 O ATOM 427 CB SER A 27 -2.452 -2.993 8.615 1.00 0.00 C ATOM 428 OG SER A 27 -3.774 -3.480 8.437 1.00 0.00 O ATOM 0 H SER A 27 -4.007 -0.933 7.208 1.00 0.00 H new ATOM 0 HA SER A 27 -1.218 -1.364 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.737 -3.789 8.407 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.307 -2.699 9.654 1.00 0.00 H new ATOM 0 HG SER A 27 -3.924 -4.243 9.033 1.00 0.00 H new ATOM 434 N CYS A 28 -1.000 -2.904 5.889 1.00 0.00 N ATOM 435 CA CYS A 28 -0.808 -3.389 4.526 1.00 0.00 C ATOM 436 C CYS A 28 -1.833 -4.473 4.199 1.00 0.00 C ATOM 437 O CYS A 28 -2.047 -5.385 4.993 1.00 0.00 O ATOM 438 CB CYS A 28 0.608 -3.942 4.367 1.00 0.00 C ATOM 439 SG CYS A 28 1.898 -2.854 5.060 1.00 0.00 S ATOM 0 H CYS A 28 -0.229 -3.113 6.524 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.947 -2.558 3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.666 -4.916 4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.810 -4.102 3.308 1.00 0.00 H new ATOM 444 N THR A 29 -2.470 -4.370 3.037 1.00 0.00 N ATOM 445 CA THR A 29 -3.473 -5.343 2.631 1.00 0.00 C ATOM 446 C THR A 29 -3.031 -6.087 1.374 1.00 0.00 C ATOM 447 O THR A 29 -2.090 -5.672 0.702 1.00 0.00 O ATOM 448 CB THR A 29 -4.825 -4.649 2.399 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.840 -5.592 2.082 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.804 -3.615 1.285 1.00 0.00 C ATOM 0 H THR A 29 -2.308 -3.623 2.362 1.00 0.00 H new ATOM 0 HA THR A 29 -3.588 -6.072 3.433 1.00 0.00 H new ATOM 0 HB THR A 29 -5.034 -4.141 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.553 -5.543 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.794 -3.170 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.079 -2.837 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.524 -4.096 0.348 1.00 0.00 H new ATOM 458 N ASP A 30 -3.727 -7.178 1.060 1.00 0.00 N ATOM 459 CA ASP A 30 -3.420 -7.969 -0.125 1.00 0.00 C ATOM 460 C ASP A 30 -4.501 -7.762 -1.171 1.00 0.00 C ATOM 461 O ASP A 30 -4.465 -8.351 -2.253 1.00 0.00 O ATOM 462 CB ASP A 30 -3.310 -9.454 0.200 1.00 0.00 C ATOM 463 CG ASP A 30 -3.242 -9.764 1.679 1.00 0.00 C ATOM 464 OD1 ASP A 30 -2.313 -9.286 2.356 1.00 0.00 O ATOM 465 OD2 ASP A 30 -4.134 -10.485 2.169 1.00 0.00 O ATOM 0 H ASP A 30 -4.508 -7.533 1.612 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.456 -7.634 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.168 -9.972 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.420 -9.855 -0.285 1.00 0.00 H new ATOM 470 N THR A 31 -5.467 -6.926 -0.823 1.00 0.00 N ATOM 471 CA THR A 31 -6.588 -6.612 -1.696 1.00 0.00 C ATOM 472 C THR A 31 -6.089 -6.011 -3.004 1.00 0.00 C ATOM 473 O THR A 31 -5.193 -5.175 -3.004 1.00 0.00 O ATOM 474 CB THR A 31 -7.512 -5.631 -0.983 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.879 -6.135 0.290 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.789 -5.327 -1.735 1.00 0.00 C ATOM 0 H THR A 31 -5.496 -6.445 0.076 1.00 0.00 H new ATOM 0 HA THR A 31 -7.135 -7.526 -1.928 1.00 0.00 H new ATOM 0 HB THR A 31 -6.937 -4.708 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.178 -5.922 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.390 -4.622 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.546 -4.891 -2.704 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.352 -6.248 -1.883 1.00 0.00 H new ATOM 484 N GLY A 32 -6.648 -6.451 -4.114 1.00 0.00 N ATOM 485 CA GLY A 32 -6.217 -5.951 -5.398 1.00 0.00 C ATOM 486 C GLY A 32 -5.148 -6.841 -5.998 1.00 0.00 C ATOM 487 O GLY A 32 -4.960 -6.880 -7.214 1.00 0.00 O ATOM 0 H GLY A 32 -7.393 -7.146 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.070 -5.894 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.831 -4.938 -5.286 1.00 0.00 H new ATOM 491 N ARG A 33 -4.463 -7.579 -5.130 1.00 0.00 N ATOM 492 CA ARG A 33 -3.420 -8.502 -5.549 1.00 0.00 C ATOM 493 C ARG A 33 -4.007 -9.905 -5.661 1.00 0.00 C ATOM 494 O ARG A 33 -5.178 -10.116 -5.340 1.00 0.00 O ATOM 495 CB ARG A 33 -2.263 -8.487 -4.543 1.00 0.00 C ATOM 496 CG ARG A 33 -1.667 -7.104 -4.327 1.00 0.00 C ATOM 497 CD ARG A 33 -0.953 -6.592 -5.570 1.00 0.00 C ATOM 498 NE ARG A 33 0.158 -7.459 -5.971 1.00 0.00 N ATOM 499 CZ ARG A 33 0.941 -7.222 -7.022 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.694 -6.181 -7.806 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.937 -8.046 -7.306 1.00 0.00 N ATOM 0 H ARG A 33 -4.616 -7.553 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.032 -8.195 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.617 -8.875 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.480 -9.161 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.458 -6.407 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.965 -7.137 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.666 -6.517 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.576 -5.587 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 33 0.342 -8.293 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.093 -5.565 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.291 -5.996 -8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.106 -8.863 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.536 -7.864 -8.111 1.00 0.00 H new ATOM 515 N SER A 34 -3.213 -10.854 -6.129 1.00 0.00 N ATOM 516 CA SER A 34 -3.700 -12.218 -6.287 1.00 0.00 C ATOM 517 C SER A 34 -2.799 -13.237 -5.600 1.00 0.00 C ATOM 518 O SER A 34 -3.175 -14.400 -5.456 1.00 0.00 O ATOM 519 CB SER A 34 -3.825 -12.557 -7.769 1.00 0.00 C ATOM 520 OG SER A 34 -4.497 -11.519 -8.469 1.00 0.00 O ATOM 0 H SER A 34 -2.241 -10.710 -6.403 1.00 0.00 H new ATOM 0 HA SER A 34 -4.678 -12.271 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.834 -12.708 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.370 -13.494 -7.888 1.00 0.00 H new ATOM 0 HG SER A 34 -4.565 -11.755 -9.418 1.00 0.00 H new ATOM 526 N ASP A 35 -1.609 -12.816 -5.185 1.00 0.00 N ATOM 527 CA ASP A 35 -0.678 -13.726 -4.530 1.00 0.00 C ATOM 528 C ASP A 35 -0.492 -13.415 -3.052 1.00 0.00 C ATOM 529 O ASP A 35 0.491 -13.834 -2.440 1.00 0.00 O ATOM 530 CB ASP A 35 0.655 -13.713 -5.245 1.00 0.00 C ATOM 531 CG ASP A 35 0.772 -14.823 -6.263 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.724 -16.001 -5.864 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.907 -14.522 -7.463 1.00 0.00 O ATOM 0 H ASP A 35 -1.269 -11.860 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.113 -14.724 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.789 -12.752 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.458 -13.808 -4.514 1.00 0.00 H new ATOM 538 N GLY A 36 -1.455 -12.707 -2.480 1.00 0.00 N ATOM 539 CA GLY A 36 -1.405 -12.380 -1.066 1.00 0.00 C ATOM 540 C GLY A 36 -0.264 -11.464 -0.676 1.00 0.00 C ATOM 541 O GLY A 36 0.203 -11.509 0.462 1.00 0.00 O ATOM 0 H GLY A 36 -2.275 -12.351 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.346 -11.910 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.324 -13.305 -0.494 1.00 0.00 H new ATOM 545 N PHE A 37 0.179 -10.618 -1.596 1.00 0.00 N ATOM 546 CA PHE A 37 1.259 -9.686 -1.291 1.00 0.00 C ATOM 547 C PHE A 37 0.701 -8.440 -0.618 1.00 0.00 C ATOM 548 O PHE A 37 -0.208 -7.793 -1.142 1.00 0.00 O ATOM 549 CB PHE A 37 2.049 -9.300 -2.544 1.00 0.00 C ATOM 550 CG PHE A 37 3.228 -10.196 -2.822 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.379 -11.406 -2.160 1.00 0.00 C ATOM 552 CD2 PHE A 37 4.183 -9.828 -3.758 1.00 0.00 C ATOM 553 CE1 PHE A 37 4.460 -12.228 -2.423 1.00 0.00 C ATOM 554 CE2 PHE A 37 5.266 -10.647 -4.026 1.00 0.00 C ATOM 555 CZ PHE A 37 5.404 -11.849 -3.358 1.00 0.00 C ATOM 0 H PHE A 37 -0.185 -10.556 -2.547 1.00 0.00 H new ATOM 0 HA PHE A 37 1.946 -10.188 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.380 -9.319 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.402 -8.274 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.643 -11.710 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.080 -8.891 -4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.566 -13.166 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.003 -10.347 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.248 -12.490 -3.566 1.00 0.00 H new ATOM 565 N LEU A 38 1.244 -8.115 0.546 1.00 0.00 N ATOM 566 CA LEU A 38 0.794 -6.952 1.302 1.00 0.00 C ATOM 567 C LEU A 38 1.395 -5.669 0.743 1.00 0.00 C ATOM 568 O LEU A 38 2.613 -5.554 0.580 1.00 0.00 O ATOM 569 CB LEU A 38 1.160 -7.091 2.779 1.00 0.00 C ATOM 570 CG LEU A 38 0.415 -8.186 3.550 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.954 -9.564 3.199 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.513 -7.944 5.047 1.00 0.00 C ATOM 0 H LEU A 38 1.998 -8.640 0.989 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.291 -6.899 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.230 -7.285 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.975 -6.136 3.271 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.635 -8.148 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.408 -10.322 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.829 -9.742 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.012 -9.616 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.022 -8.731 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.560 -7.949 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.071 -6.978 5.289 1.00 0.00 H new ATOM 584 N TRP A 39 0.537 -4.701 0.458 1.00 0.00 N ATOM 585 CA TRP A 39 0.980 -3.425 -0.078 1.00 0.00 C ATOM 586 C TRP A 39 0.302 -2.271 0.645 1.00 0.00 C ATOM 587 O TRP A 39 -0.591 -2.472 1.472 1.00 0.00 O ATOM 588 CB TRP A 39 0.699 -3.332 -1.584 1.00 0.00 C ATOM 589 CG TRP A 39 -0.757 -3.384 -1.938 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.531 -4.500 -2.059 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.618 -2.266 -2.210 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.806 -4.148 -2.397 1.00 0.00 N ATOM 593 CE2 TRP A 39 -2.888 -2.786 -2.497 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.441 -0.878 -2.242 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -3.968 -1.972 -2.812 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.519 -0.072 -2.554 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.769 -0.626 -2.836 1.00 0.00 C ATOM 0 H TRP A 39 -0.472 -4.776 0.590 1.00 0.00 H new ATOM 0 HA TRP A 39 2.056 -3.357 0.080 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.122 -2.402 -1.965 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.215 -4.148 -2.090 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.186 -5.513 -1.910 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.577 -4.798 -2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.476 -0.443 -2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.937 -2.395 -3.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.393 1.000 -2.580 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.595 0.027 -3.078 1.00 0.00 H new ATOM 608 N CYS A 40 0.734 -1.061 0.331 1.00 0.00 N ATOM 609 CA CYS A 40 0.186 0.138 0.940 1.00 0.00 C ATOM 610 C CYS A 40 0.303 1.295 -0.039 1.00 0.00 C ATOM 611 O CYS A 40 1.103 1.237 -0.973 1.00 0.00 O ATOM 612 CB CYS A 40 0.957 0.465 2.217 1.00 0.00 C ATOM 613 SG CYS A 40 2.668 1.035 1.924 1.00 0.00 S ATOM 0 H CYS A 40 1.472 -0.883 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.863 -0.026 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.417 1.235 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.983 -0.421 2.851 1.00 0.00 H new ATOM 618 N SER A 41 -0.462 2.348 0.177 1.00 0.00 N ATOM 619 CA SER A 41 -0.387 3.504 -0.698 1.00 0.00 C ATOM 620 C SER A 41 0.368 4.617 0.012 1.00 0.00 C ATOM 621 O SER A 41 0.486 4.604 1.236 1.00 0.00 O ATOM 622 CB SER A 41 -1.784 3.985 -1.097 1.00 0.00 C ATOM 623 OG SER A 41 -1.727 4.984 -2.106 1.00 0.00 O ATOM 0 H SER A 41 -1.134 2.428 0.940 1.00 0.00 H new ATOM 0 HA SER A 41 0.140 3.222 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.372 3.140 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.297 4.382 -0.221 1.00 0.00 H new ATOM 0 HG SER A 41 -0.933 4.842 -2.663 1.00 0.00 H new ATOM 629 N THR A 42 0.860 5.569 -0.754 1.00 0.00 N ATOM 630 CA THR A 42 1.594 6.698 -0.194 1.00 0.00 C ATOM 631 C THR A 42 0.661 7.900 -0.077 1.00 0.00 C ATOM 632 O THR A 42 0.989 8.908 0.548 1.00 0.00 O ATOM 633 CB THR A 42 2.791 7.045 -1.088 1.00 0.00 C ATOM 634 OG1 THR A 42 3.430 5.869 -1.551 1.00 0.00 O ATOM 635 CG2 THR A 42 3.845 7.885 -0.399 1.00 0.00 C ATOM 0 H THR A 42 0.767 5.588 -1.770 1.00 0.00 H new ATOM 0 HA THR A 42 1.965 6.432 0.795 1.00 0.00 H new ATOM 0 HB THR A 42 2.367 7.624 -1.909 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.126 6.108 -2.198 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.659 8.089 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.403 8.826 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.233 7.345 0.465 1.00 0.00 H new ATOM 643 N THR A 43 -0.504 7.781 -0.699 1.00 0.00 N ATOM 644 CA THR A 43 -1.491 8.846 -0.694 1.00 0.00 C ATOM 645 C THR A 43 -2.750 8.430 0.054 1.00 0.00 C ATOM 646 O THR A 43 -2.950 7.248 0.349 1.00 0.00 O ATOM 647 CB THR A 43 -1.828 9.220 -2.139 1.00 0.00 C ATOM 648 OG1 THR A 43 -2.209 8.070 -2.879 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.669 9.856 -2.868 1.00 0.00 C ATOM 0 H THR A 43 -0.788 6.949 -1.217 1.00 0.00 H new ATOM 0 HA THR A 43 -1.074 9.710 -0.177 1.00 0.00 H new ATOM 0 HB THR A 43 -2.645 9.939 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.135 8.170 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.969 10.099 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.370 10.768 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.171 9.161 -2.893 1.00 0.00 H new ATOM 657 N TYR A 44 -3.597 9.412 0.357 1.00 0.00 N ATOM 658 CA TYR A 44 -4.832 9.177 1.064 1.00 0.00 C ATOM 659 C TYR A 44 -5.834 8.432 0.187 1.00 0.00 C ATOM 660 O TYR A 44 -6.632 7.648 0.685 1.00 0.00 O ATOM 661 CB TYR A 44 -5.399 10.516 1.545 1.00 0.00 C ATOM 662 CG TYR A 44 -5.509 11.589 0.472 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.615 11.658 -0.374 1.00 0.00 C ATOM 664 CD2 TYR A 44 -4.502 12.534 0.303 1.00 0.00 C ATOM 665 CE1 TYR A 44 -6.708 12.633 -1.346 1.00 0.00 C ATOM 666 CE2 TYR A 44 -4.595 13.511 -0.670 1.00 0.00 C ATOM 667 CZ TYR A 44 -5.698 13.553 -1.488 1.00 0.00 C ATOM 668 OH TYR A 44 -5.797 14.521 -2.454 1.00 0.00 O ATOM 0 H TYR A 44 -3.437 10.390 0.114 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.635 8.544 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.389 10.344 1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.769 10.892 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.412 10.937 -0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.633 12.504 0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.572 12.673 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.805 14.238 -0.787 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.003 15.094 -2.425 1.00 0.00 H new ATOM 678 N ASN A 45 -5.775 8.668 -1.118 1.00 0.00 N ATOM 679 CA ASN A 45 -6.668 8.000 -2.057 1.00 0.00 C ATOM 680 C ASN A 45 -5.838 7.348 -3.163 1.00 0.00 C ATOM 681 O ASN A 45 -5.320 8.031 -4.044 1.00 0.00 O ATOM 682 CB ASN A 45 -7.672 9.006 -2.650 1.00 0.00 C ATOM 683 CG ASN A 45 -8.815 8.398 -3.415 1.00 0.00 C ATOM 684 OD1 ASN A 45 -8.706 7.156 -3.816 1.00 0.00 O flip ATOM 685 ND2 ASN A 45 -9.806 9.078 -3.691 1.00 0.00 N flip ATOM 0 H ASN A 45 -5.118 9.317 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.235 7.229 -1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.079 9.609 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.134 9.684 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.868 10.043 -3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.563 8.675 -4.243 1.00 0.00 H new ATOM 692 N PHE A 46 -5.710 6.027 -3.098 1.00 0.00 N ATOM 693 CA PHE A 46 -4.929 5.266 -4.077 1.00 0.00 C ATOM 694 C PHE A 46 -5.501 5.387 -5.492 1.00 0.00 C ATOM 695 O PHE A 46 -4.768 5.298 -6.475 1.00 0.00 O ATOM 696 CB PHE A 46 -4.881 3.788 -3.654 1.00 0.00 C ATOM 697 CG PHE A 46 -4.114 2.901 -4.607 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.752 3.093 -4.829 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.756 1.879 -5.289 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.060 2.282 -5.707 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.064 1.068 -6.164 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.715 1.271 -6.377 1.00 0.00 C ATOM 0 H PHE A 46 -6.140 5.453 -2.372 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.922 5.683 -4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.428 3.718 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.901 3.413 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.232 3.884 -4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.812 1.716 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.004 2.440 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.578 0.273 -6.683 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.175 0.639 -7.067 1.00 0.00 H new ATOM 712 N GLU A 47 -6.809 5.565 -5.585 1.00 0.00 N ATOM 713 CA GLU A 47 -7.487 5.667 -6.874 1.00 0.00 C ATOM 714 C GLU A 47 -7.036 6.885 -7.693 1.00 0.00 C ATOM 715 O GLU A 47 -6.925 6.808 -8.919 1.00 0.00 O ATOM 716 CB GLU A 47 -8.995 5.749 -6.643 1.00 0.00 C ATOM 717 CG GLU A 47 -9.834 5.242 -7.801 1.00 0.00 C ATOM 718 CD GLU A 47 -11.307 5.505 -7.597 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.871 4.998 -6.606 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.899 6.224 -8.421 1.00 0.00 O ATOM 0 H GLU A 47 -7.429 5.643 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.225 4.778 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.245 5.176 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.264 6.786 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.505 5.722 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.672 4.171 -7.924 1.00 0.00 H new ATOM 727 N LYS A 48 -6.823 8.016 -7.025 1.00 0.00 N ATOM 728 CA LYS A 48 -6.440 9.246 -7.721 1.00 0.00 C ATOM 729 C LYS A 48 -4.952 9.313 -8.077 1.00 0.00 C ATOM 730 O LYS A 48 -4.599 9.734 -9.179 1.00 0.00 O ATOM 731 CB LYS A 48 -6.839 10.486 -6.900 1.00 0.00 C ATOM 732 CG LYS A 48 -6.160 10.595 -5.536 1.00 0.00 C ATOM 733 CD LYS A 48 -6.587 11.854 -4.794 1.00 0.00 C ATOM 734 CE LYS A 48 -6.067 13.114 -5.468 1.00 0.00 C ATOM 735 NZ LYS A 48 -4.581 13.183 -5.450 1.00 0.00 N ATOM 0 H LYS A 48 -6.907 8.109 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.988 9.235 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.605 11.379 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.919 10.475 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.405 9.718 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.078 10.599 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.675 11.893 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.220 11.813 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.419 13.145 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.477 13.990 -4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.280 14.078 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.203 12.386 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.219 13.133 -6.424 1.00 0.00 H new ATOM 749 N ASP A 49 -4.081 8.942 -7.146 1.00 0.00 N ATOM 750 CA ASP A 49 -2.638 9.017 -7.390 1.00 0.00 C ATOM 751 C ASP A 49 -2.066 7.703 -7.900 1.00 0.00 C ATOM 752 O ASP A 49 -1.454 7.660 -8.966 1.00 0.00 O ATOM 753 CB ASP A 49 -1.917 9.464 -6.123 1.00 0.00 C ATOM 754 CG ASP A 49 -2.212 10.907 -5.790 1.00 0.00 C ATOM 755 OD1 ASP A 49 -1.768 11.794 -6.548 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.899 11.160 -4.786 1.00 0.00 O ATOM 0 H ASP A 49 -4.340 8.590 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.477 9.755 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.219 8.830 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.842 9.333 -6.251 1.00 0.00 H new ATOM 761 N GLY A 50 -2.267 6.632 -7.154 1.00 0.00 N ATOM 762 CA GLY A 50 -1.771 5.339 -7.575 1.00 0.00 C ATOM 763 C GLY A 50 -0.399 5.004 -7.028 1.00 0.00 C ATOM 764 O GLY A 50 0.237 4.057 -7.490 1.00 0.00 O ATOM 0 H GLY A 50 -2.765 6.633 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.476 4.569 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.735 5.311 -8.664 1.00 0.00 H new ATOM 768 N LYS A 51 0.057 5.753 -6.036 1.00 0.00 N ATOM 769 CA LYS A 51 1.354 5.487 -5.436 1.00 0.00 C ATOM 770 C LYS A 51 1.251 4.306 -4.485 1.00 0.00 C ATOM 771 O LYS A 51 0.489 4.354 -3.519 1.00 0.00 O ATOM 772 CB LYS A 51 1.831 6.704 -4.679 1.00 0.00 C ATOM 773 CG LYS A 51 2.158 7.869 -5.573 1.00 0.00 C ATOM 774 CD LYS A 51 2.483 9.070 -4.735 1.00 0.00 C ATOM 775 CE LYS A 51 3.113 10.190 -5.548 1.00 0.00 C ATOM 776 NZ LYS A 51 2.183 10.720 -6.582 1.00 0.00 N ATOM 0 H LYS A 51 -0.447 6.543 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 51 2.067 5.253 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.062 7.005 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.716 6.440 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.003 7.622 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.314 8.087 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.572 9.436 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.163 8.778 -3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.412 10.998 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.019 9.823 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.652 11.481 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.917 9.955 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.329 11.094 -6.122 1.00 0.00 H new ATOM 790 N TYR A 52 1.985 3.237 -4.766 1.00 0.00 N ATOM 791 CA TYR A 52 1.927 2.049 -3.933 1.00 0.00 C ATOM 792 C TYR A 52 3.287 1.374 -3.817 1.00 0.00 C ATOM 793 O TYR A 52 4.178 1.567 -4.650 1.00 0.00 O ATOM 794 CB TYR A 52 0.915 1.057 -4.520 1.00 0.00 C ATOM 795 CG TYR A 52 1.420 0.322 -5.741 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.290 0.866 -7.012 1.00 0.00 C ATOM 797 CD2 TYR A 52 2.043 -0.913 -5.616 1.00 0.00 C ATOM 798 CE1 TYR A 52 1.766 0.198 -8.123 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.521 -1.588 -6.720 1.00 0.00 C ATOM 800 CZ TYR A 52 2.380 -1.029 -7.973 1.00 0.00 C ATOM 801 OH TYR A 52 2.850 -1.698 -9.080 1.00 0.00 O ATOM 0 H TYR A 52 2.623 3.171 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 52 1.617 2.357 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.647 0.329 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.003 1.594 -4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.810 1.826 -7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.155 -1.353 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.658 0.634 -9.105 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.002 -2.548 -6.604 1.00 0.00 H new ATOM 0 HH TYR A 52 3.256 -2.546 -8.802 1.00 0.00 H new ATOM 811 N GLY A 53 3.420 0.556 -2.791 1.00 0.00 N ATOM 812 CA GLY A 53 4.635 -0.182 -2.567 1.00 0.00 C ATOM 813 C GLY A 53 4.385 -1.348 -1.647 1.00 0.00 C ATOM 814 O GLY A 53 3.414 -1.341 -0.889 1.00 0.00 O ATOM 0 H GLY A 53 2.691 0.389 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.030 -0.540 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.391 0.474 -2.135 1.00 0.00 H new ATOM 818 N PHE A 54 5.235 -2.356 -1.711 1.00 0.00 N ATOM 819 CA PHE A 54 5.060 -3.524 -0.872 1.00 0.00 C ATOM 820 C PHE A 54 5.826 -3.367 0.424 1.00 0.00 C ATOM 821 O PHE A 54 7.009 -3.038 0.423 1.00 0.00 O ATOM 822 CB PHE A 54 5.493 -4.786 -1.610 1.00 0.00 C ATOM 823 CG PHE A 54 4.657 -5.065 -2.828 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.331 -5.456 -2.708 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.195 -4.923 -4.094 1.00 0.00 C ATOM 826 CE1 PHE A 54 2.566 -5.699 -3.832 1.00 0.00 C ATOM 827 CE2 PHE A 54 4.435 -5.166 -5.220 1.00 0.00 C ATOM 828 CZ PHE A 54 3.119 -5.555 -5.088 1.00 0.00 C ATOM 0 H PHE A 54 6.046 -2.389 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 54 4.001 -3.620 -0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.537 -4.688 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.433 -5.637 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.893 -5.571 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.225 -4.617 -4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.535 -6.002 -3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.870 -5.052 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.521 -5.747 -5.967 1.00 0.00 H new ATOM 838 N CYS A 55 5.129 -3.585 1.523 1.00 0.00 N ATOM 839 CA CYS A 55 5.713 -3.462 2.852 1.00 0.00 C ATOM 840 C CYS A 55 6.810 -4.509 3.088 1.00 0.00 C ATOM 841 O CYS A 55 7.906 -4.157 3.520 1.00 0.00 O ATOM 842 CB CYS A 55 4.611 -3.562 3.903 1.00 0.00 C ATOM 843 SG CYS A 55 3.159 -2.536 3.509 1.00 0.00 S ATOM 0 H CYS A 55 4.145 -3.852 1.524 1.00 0.00 H new ATOM 0 HA CYS A 55 6.192 -2.486 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.299 -4.602 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.011 -3.260 4.871 1.00 0.00 H new ATOM 848 N PRO A 56 6.563 -5.811 2.800 1.00 0.00 N ATOM 849 CA PRO A 56 7.587 -6.846 2.987 1.00 0.00 C ATOM 850 C PRO A 56 8.797 -6.619 2.084 1.00 0.00 C ATOM 851 O PRO A 56 8.657 -6.392 0.879 1.00 0.00 O ATOM 852 CB PRO A 56 6.873 -8.146 2.612 1.00 0.00 C ATOM 853 CG PRO A 56 5.735 -7.726 1.746 1.00 0.00 C ATOM 854 CD PRO A 56 5.307 -6.383 2.265 1.00 0.00 C ATOM 0 HA PRO A 56 7.979 -6.850 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.542 -8.825 2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.520 -8.673 3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.040 -7.664 0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.917 -8.445 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.886 -5.761 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.545 -6.475 3.039 1.00 0.00 H new ATOM 862 N HIS A 57 9.983 -6.674 2.675 1.00 0.00 N ATOM 863 CA HIS A 57 11.216 -6.473 1.928 1.00 0.00 C ATOM 864 C HIS A 57 11.622 -7.761 1.230 1.00 0.00 C ATOM 865 O HIS A 57 12.423 -7.748 0.293 1.00 0.00 O ATOM 866 CB HIS A 57 12.350 -5.977 2.841 1.00 0.00 C ATOM 867 CG HIS A 57 12.703 -6.916 3.959 1.00 0.00 C ATOM 868 ND1 HIS A 57 11.866 -7.184 5.023 1.00 0.00 N ATOM 869 CD2 HIS A 57 13.810 -7.667 4.159 1.00 0.00 C ATOM 870 CE1 HIS A 57 12.444 -8.061 5.825 1.00 0.00 C ATOM 871 NE2 HIS A 57 13.625 -8.366 5.325 1.00 0.00 N ATOM 0 H HIS A 57 10.117 -6.856 3.670 1.00 0.00 H new ATOM 0 HA HIS A 57 11.034 -5.704 1.177 1.00 0.00 H new ATOM 0 HB2 HIS A 57 13.239 -5.804 2.234 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.063 -5.016 3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 57 14.679 -7.709 3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.021 -8.460 6.735 1.00 0.00 H new ATOM 0 HE2 HIS A 57 14.293 -9.016 5.738 1.00 0.00 H new ATOM 879 N GLU A 58 11.067 -8.874 1.693 1.00 0.00 N ATOM 880 CA GLU A 58 11.373 -10.169 1.111 1.00 0.00 C ATOM 881 C GLU A 58 10.375 -10.532 0.017 1.00 0.00 C ATOM 882 O GLU A 58 9.189 -10.191 0.092 1.00 0.00 O ATOM 883 CB GLU A 58 11.399 -11.263 2.185 1.00 0.00 C ATOM 884 CG GLU A 58 10.071 -11.482 2.902 1.00 0.00 C ATOM 885 CD GLU A 58 10.136 -12.608 3.906 1.00 0.00 C ATOM 886 OE1 GLU A 58 11.192 -13.263 3.999 1.00 0.00 O ATOM 887 OE2 GLU A 58 9.128 -12.842 4.600 1.00 0.00 O ATOM 0 H GLU A 58 10.405 -8.903 2.468 1.00 0.00 H new ATOM 0 HA GLU A 58 12.364 -10.099 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.706 -12.201 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.158 -11.009 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.780 -10.563 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.296 -11.699 2.167 1.00 0.00 H new ATOM 894 N ALA A 59 10.872 -11.235 -0.991 1.00 0.00 N ATOM 895 CA ALA A 59 10.058 -11.672 -2.113 1.00 0.00 C ATOM 896 C ALA A 59 10.689 -12.897 -2.761 1.00 0.00 C ATOM 897 O ALA A 59 11.246 -13.728 -2.023 1.00 0.00 O ATOM 898 CB ALA A 59 9.913 -10.553 -3.129 1.00 0.00 C ATOM 0 H ALA A 59 11.850 -11.518 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 59 9.065 -11.935 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.301 -10.896 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.436 -9.694 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.898 -10.265 -3.496 1.00 0.00 H new TER 904 ALA A 59