USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 0 MET CE :methyl 172:sc= -0.0212 (180deg=0) USER MOD Set 1.2: A 4 TYR OH : rot -15:sc= 1.25 USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 144:sc= -0.157 (180deg=-0.229) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 7 THR OG1 : rot 127:sc= 1.24 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.0596 K(o=0.06,f=-2.9) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.398 K(o=0.4,f=-2.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.66) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.2) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0.963 (180deg=0.527) USER MOD Single : A 51 TYR OH : rot -11:sc= 0.00503 USER MOD Single : A 55 SER OG : rot -91:sc= 1.3 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= 0.857 (180deg=0.484) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -20:sc= 1.19 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.302 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 10.555 5.484 6.645 1.00 0.00 N ATOM 2 CA MET A 0 9.294 4.716 6.602 1.00 0.00 C ATOM 3 C MET A 0 9.117 3.836 5.395 1.00 0.00 C ATOM 4 O MET A 0 8.501 2.789 5.565 1.00 0.00 O ATOM 5 CB MET A 0 8.062 5.612 6.852 1.00 0.00 C ATOM 6 CG MET A 0 7.706 6.476 5.631 1.00 0.00 C ATOM 7 SD MET A 0 6.386 7.698 5.855 1.00 0.00 S ATOM 8 CE MET A 0 4.922 6.647 6.071 1.00 0.00 C ATOM 0 H1 MET A 0 10.583 6.058 7.512 1.00 0.00 H new ATOM 0 H2 MET A 0 11.362 4.828 6.638 1.00 0.00 H new ATOM 0 H3 MET A 0 10.610 6.108 5.815 1.00 0.00 H new ATOM 0 HA MET A 0 9.378 4.016 7.433 1.00 0.00 H new ATOM 0 HB2 MET A 0 7.208 4.986 7.112 1.00 0.00 H new ATOM 0 HB3 MET A 0 8.255 6.259 7.708 1.00 0.00 H new ATOM 0 HG2 MET A 0 8.606 7.002 5.312 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.420 5.811 4.816 1.00 0.00 H new ATOM 0 HE1 MET A 0 4.070 7.264 6.358 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.700 6.135 5.135 1.00 0.00 H new ATOM 0 HE3 MET A 0 5.115 5.910 6.850 1.00 0.00 H new ATOM 18 N GLY A 1 9.663 4.163 4.225 1.00 0.00 N ATOM 19 CA GLY A 1 9.637 3.295 3.064 1.00 0.00 C ATOM 20 C GLY A 1 10.566 2.104 3.248 1.00 0.00 C ATOM 21 O GLY A 1 11.486 1.908 2.458 1.00 0.00 O ATOM 0 H GLY A 1 10.140 5.050 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.620 2.943 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.933 3.858 2.179 1.00 0.00 H new ATOM 25 N LYS A 2 10.339 1.281 4.270 1.00 0.00 N ATOM 26 CA LYS A 2 10.825 -0.096 4.340 1.00 0.00 C ATOM 27 C LYS A 2 10.198 -1.012 3.261 1.00 0.00 C ATOM 28 O LYS A 2 9.839 -2.153 3.557 1.00 0.00 O ATOM 29 CB LYS A 2 10.623 -0.596 5.776 1.00 0.00 C ATOM 30 CG LYS A 2 9.155 -0.711 6.219 1.00 0.00 C ATOM 31 CD LYS A 2 9.113 -1.163 7.675 1.00 0.00 C ATOM 32 CE LYS A 2 7.690 -1.279 8.227 1.00 0.00 C ATOM 33 NZ LYS A 2 6.934 -2.431 7.707 1.00 0.00 N ATOM 0 H LYS A 2 9.800 1.559 5.090 1.00 0.00 H new ATOM 0 HA LYS A 2 11.889 -0.126 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.095 -1.573 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.141 0.079 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.651 0.249 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.625 -1.424 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.611 -2.129 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.676 -0.457 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.738 -1.351 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.145 -0.365 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.325 -2.814 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.345 -2.127 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.597 -3.167 7.389 1.00 0.00 H new ATOM 47 N ASP A 3 10.118 -0.543 2.013 1.00 0.00 N ATOM 48 CA ASP A 3 9.312 -1.044 0.896 1.00 0.00 C ATOM 49 C ASP A 3 7.815 -0.852 1.146 1.00 0.00 C ATOM 50 O ASP A 3 7.313 -1.141 2.233 1.00 0.00 O ATOM 51 CB ASP A 3 9.690 -2.479 0.458 1.00 0.00 C ATOM 52 CG ASP A 3 8.565 -3.522 0.553 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.493 -3.331 -0.065 1.00 0.00 O ATOM 54 OD2 ASP A 3 8.818 -4.612 1.123 1.00 0.00 O ATOM 0 H ASP A 3 10.665 0.271 1.733 1.00 0.00 H new ATOM 0 HA ASP A 3 9.560 -0.426 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.042 -2.444 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.527 -2.817 1.069 1.00 0.00 H new ATOM 59 N TYR A 4 7.094 -0.410 0.110 1.00 0.00 N ATOM 60 CA TYR A 4 5.633 -0.334 0.126 1.00 0.00 C ATOM 61 C TYR A 4 4.970 -1.063 -1.050 1.00 0.00 C ATOM 62 O TYR A 4 3.836 -1.514 -0.900 1.00 0.00 O ATOM 63 CB TYR A 4 5.172 1.123 0.248 1.00 0.00 C ATOM 64 CG TYR A 4 5.449 1.813 1.575 1.00 0.00 C ATOM 65 CD1 TYR A 4 5.242 1.140 2.798 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.815 3.172 1.592 1.00 0.00 C ATOM 67 CE1 TYR A 4 5.392 1.810 4.021 1.00 0.00 C ATOM 68 CE2 TYR A 4 5.965 3.852 2.814 1.00 0.00 C ATOM 69 CZ TYR A 4 5.736 3.174 4.032 1.00 0.00 C ATOM 70 OH TYR A 4 5.839 3.841 5.207 1.00 0.00 O ATOM 0 H TYR A 4 7.511 -0.094 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 4 5.296 -0.872 1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.651 1.700 -0.543 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.098 1.158 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.965 0.096 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.981 3.695 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.244 1.281 4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.255 4.892 2.821 1.00 0.00 H new ATOM 0 HH TYR A 4 5.419 3.316 5.919 1.00 0.00 H new ATOM 80 N TYR A 5 5.646 -1.243 -2.194 1.00 0.00 N ATOM 81 CA TYR A 5 5.099 -1.998 -3.317 1.00 0.00 C ATOM 82 C TYR A 5 4.858 -3.453 -2.897 1.00 0.00 C ATOM 83 O TYR A 5 3.733 -3.948 -2.949 1.00 0.00 O ATOM 84 CB TYR A 5 6.065 -1.932 -4.505 1.00 0.00 C ATOM 85 CG TYR A 5 5.969 -0.679 -5.357 1.00 0.00 C ATOM 86 CD1 TYR A 5 5.020 -0.605 -6.399 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.911 0.355 -5.204 1.00 0.00 C ATOM 88 CE1 TYR A 5 5.035 0.472 -7.306 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.922 1.438 -6.097 1.00 0.00 C ATOM 90 CZ TYR A 5 6.010 1.485 -7.173 1.00 0.00 C ATOM 91 OH TYR A 5 6.081 2.518 -8.053 1.00 0.00 O ATOM 0 H TYR A 5 6.581 -0.870 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 5 4.147 -1.562 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.084 -2.016 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.889 -2.798 -5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.276 -1.381 -6.502 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.628 0.315 -4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.304 0.523 -8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.632 2.240 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 5 6.815 3.115 -7.798 1.00 0.00 H new ATOM 101 N GLN A 6 5.911 -4.149 -2.465 1.00 0.00 N ATOM 102 CA GLN A 6 5.838 -5.491 -1.914 1.00 0.00 C ATOM 103 C GLN A 6 5.001 -5.640 -0.656 1.00 0.00 C ATOM 104 O GLN A 6 4.312 -6.645 -0.481 1.00 0.00 O ATOM 105 CB GLN A 6 7.214 -6.127 -1.774 1.00 0.00 C ATOM 106 CG GLN A 6 8.447 -5.406 -2.359 1.00 0.00 C ATOM 107 CD GLN A 6 9.713 -6.192 -2.046 1.00 0.00 C ATOM 108 OE1 GLN A 6 10.353 -6.762 -2.929 1.00 0.00 O ATOM 109 NE2 GLN A 6 10.112 -6.235 -0.784 1.00 0.00 N ATOM 0 H GLN A 6 6.861 -3.779 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 6 5.281 -6.055 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.398 -6.277 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.165 -7.115 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.336 -5.296 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.522 -4.401 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.572 -5.758 -0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.959 -6.745 -0.534 1.00 0.00 H new ATOM 118 N THR A 7 4.997 -4.626 0.191 1.00 0.00 N ATOM 119 CA THR A 7 4.130 -4.616 1.370 1.00 0.00 C ATOM 120 C THR A 7 2.644 -4.734 1.016 1.00 0.00 C ATOM 121 O THR A 7 1.886 -5.368 1.759 1.00 0.00 O ATOM 122 CB THR A 7 4.390 -3.351 2.201 1.00 0.00 C ATOM 123 OG1 THR A 7 5.750 -3.316 2.588 1.00 0.00 O ATOM 124 CG2 THR A 7 3.528 -3.299 3.465 1.00 0.00 C ATOM 0 H THR A 7 5.582 -3.796 0.090 1.00 0.00 H new ATOM 0 HA THR A 7 4.378 -5.498 1.961 1.00 0.00 H new ATOM 0 HB THR A 7 4.134 -2.495 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.143 -2.457 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.748 -2.386 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.474 -3.309 3.187 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.747 -4.164 4.091 1.00 0.00 H new ATOM 132 N LEU A 8 2.249 -4.297 -0.180 1.00 0.00 N ATOM 133 CA LEU A 8 0.908 -4.507 -0.717 1.00 0.00 C ATOM 134 C LEU A 8 0.901 -5.626 -1.773 1.00 0.00 C ATOM 135 O LEU A 8 -0.161 -6.035 -2.228 1.00 0.00 O ATOM 136 CB LEU A 8 0.320 -3.170 -1.213 1.00 0.00 C ATOM 137 CG LEU A 8 -1.215 -3.212 -1.359 1.00 0.00 C ATOM 138 CD1 LEU A 8 -1.913 -3.208 0.007 1.00 0.00 C ATOM 139 CD2 LEU A 8 -1.765 -2.045 -2.170 1.00 0.00 C ATOM 0 H LEU A 8 2.862 -3.780 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 8 0.248 -4.858 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.593 -2.377 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.765 -2.917 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.424 -4.142 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.993 -3.238 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.598 -4.081 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.644 -2.302 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.850 -2.129 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.504 -1.107 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.336 -2.064 -3.172 1.00 0.00 H new ATOM 151 N GLY A 9 2.052 -6.214 -2.083 1.00 0.00 N ATOM 152 CA GLY A 9 2.174 -7.369 -2.951 1.00 0.00 C ATOM 153 C GLY A 9 2.048 -6.957 -4.406 1.00 0.00 C ATOM 154 O GLY A 9 1.150 -7.429 -5.103 1.00 0.00 O ATOM 0 H GLY A 9 2.949 -5.887 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.136 -7.855 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.402 -8.099 -2.706 1.00 0.00 H new ATOM 158 N LEU A 10 2.937 -6.073 -4.857 1.00 0.00 N ATOM 159 CA LEU A 10 3.103 -5.649 -6.245 1.00 0.00 C ATOM 160 C LEU A 10 4.589 -5.683 -6.575 1.00 0.00 C ATOM 161 O LEU A 10 5.425 -5.581 -5.667 1.00 0.00 O ATOM 162 CB LEU A 10 2.604 -4.208 -6.429 1.00 0.00 C ATOM 163 CG LEU A 10 1.091 -4.048 -6.196 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.843 -2.972 -5.144 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.351 -3.700 -7.484 1.00 0.00 C ATOM 0 H LEU A 10 3.595 -5.609 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 10 2.533 -6.312 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.141 -3.555 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.846 -3.874 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 10 0.704 -5.004 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.229 -2.862 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.324 -3.260 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.257 -2.024 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.714 -3.596 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.736 -2.761 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.501 -4.494 -8.216 1.00 0.00 H new ATOM 177 N ALA A 11 4.931 -5.737 -7.860 1.00 0.00 N ATOM 178 CA ALA A 11 6.290 -5.449 -8.295 1.00 0.00 C ATOM 179 C ALA A 11 6.516 -3.936 -8.189 1.00 0.00 C ATOM 180 O ALA A 11 5.559 -3.155 -8.224 1.00 0.00 O ATOM 181 CB ALA A 11 6.477 -5.930 -9.734 1.00 0.00 C ATOM 0 H ALA A 11 4.287 -5.977 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 11 7.016 -5.967 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.494 -5.715 -10.060 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.299 -7.004 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.771 -5.415 -10.385 1.00 0.00 H new ATOM 187 N ARG A 12 7.779 -3.493 -8.087 1.00 0.00 N ATOM 188 CA ARG A 12 8.096 -2.071 -7.932 1.00 0.00 C ATOM 189 C ARG A 12 8.081 -1.334 -9.274 1.00 0.00 C ATOM 190 O ARG A 12 9.026 -0.651 -9.649 1.00 0.00 O ATOM 191 CB ARG A 12 9.392 -1.877 -7.118 1.00 0.00 C ATOM 192 CG ARG A 12 10.692 -2.379 -7.775 1.00 0.00 C ATOM 193 CD ARG A 12 11.144 -3.772 -7.346 1.00 0.00 C ATOM 194 NE ARG A 12 12.356 -4.126 -8.095 1.00 0.00 N ATOM 195 CZ ARG A 12 13.589 -4.326 -7.623 1.00 0.00 C ATOM 196 NH1 ARG A 12 13.842 -4.454 -6.326 1.00 0.00 N ATOM 197 NH2 ARG A 12 14.592 -4.404 -8.493 1.00 0.00 N ATOM 0 H ARG A 12 8.596 -4.103 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 12 7.305 -1.603 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.505 -0.814 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.274 -2.385 -6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.558 -2.376 -8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.490 -1.671 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.343 -3.791 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.356 -4.500 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 12 12.242 -4.233 -9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.080 -4.401 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.798 -4.606 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.409 -4.312 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.544 -4.556 -8.161 1.00 0.00 H new ATOM 211 N GLY A 13 6.976 -1.461 -9.992 1.00 0.00 N ATOM 212 CA GLY A 13 6.774 -0.970 -11.342 1.00 0.00 C ATOM 213 C GLY A 13 5.386 -1.427 -11.747 1.00 0.00 C ATOM 214 O GLY A 13 5.237 -2.188 -12.700 1.00 0.00 O ATOM 0 H GLY A 13 6.151 -1.936 -9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.854 0.116 -11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.529 -1.368 -12.020 1.00 0.00 H new ATOM 218 N ALA A 14 4.389 -1.026 -10.958 1.00 0.00 N ATOM 219 CA ALA A 14 3.010 -1.463 -11.072 1.00 0.00 C ATOM 220 C ALA A 14 2.130 -0.228 -11.231 1.00 0.00 C ATOM 221 O ALA A 14 2.359 0.793 -10.575 1.00 0.00 O ATOM 222 CB ALA A 14 2.651 -2.296 -9.838 1.00 0.00 C ATOM 0 H ALA A 14 4.532 -0.363 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 14 2.855 -2.098 -11.945 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.616 -2.630 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.309 -3.163 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.772 -1.689 -8.941 1.00 0.00 H new ATOM 228 N SER A 15 1.159 -0.320 -12.131 1.00 0.00 N ATOM 229 CA SER A 15 0.350 0.798 -12.600 1.00 0.00 C ATOM 230 C SER A 15 -0.821 1.085 -11.656 1.00 0.00 C ATOM 231 O SER A 15 -1.043 0.350 -10.697 1.00 0.00 O ATOM 232 CB SER A 15 -0.067 0.523 -14.056 1.00 0.00 C ATOM 233 OG SER A 15 -0.530 -0.807 -14.277 1.00 0.00 O ATOM 0 H SER A 15 0.904 -1.205 -12.569 1.00 0.00 H new ATOM 0 HA SER A 15 0.933 1.719 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.853 1.224 -14.338 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.783 0.716 -14.711 1.00 0.00 H new ATOM 0 HG SER A 15 -0.779 -0.914 -15.219 1.00 0.00 H new ATOM 239 N ASP A 16 -1.578 2.158 -11.900 1.00 0.00 N ATOM 240 CA ASP A 16 -2.616 2.604 -10.967 1.00 0.00 C ATOM 241 C ASP A 16 -3.685 1.520 -10.794 1.00 0.00 C ATOM 242 O ASP A 16 -4.052 1.162 -9.675 1.00 0.00 O ATOM 243 CB ASP A 16 -3.277 3.909 -11.447 1.00 0.00 C ATOM 244 CG ASP A 16 -2.523 5.185 -11.079 1.00 0.00 C ATOM 245 OD1 ASP A 16 -1.274 5.183 -10.990 1.00 0.00 O ATOM 246 OD2 ASP A 16 -3.176 6.245 -10.920 1.00 0.00 O ATOM 0 H ASP A 16 -1.491 2.735 -12.737 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.135 2.793 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.384 3.868 -12.531 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.282 3.965 -11.029 1.00 0.00 H new ATOM 251 N GLU A 17 -4.128 0.948 -11.913 1.00 0.00 N ATOM 252 CA GLU A 17 -5.122 -0.120 -12.007 1.00 0.00 C ATOM 253 C GLU A 17 -4.512 -1.474 -11.614 1.00 0.00 C ATOM 254 O GLU A 17 -5.191 -2.495 -11.625 1.00 0.00 O ATOM 255 CB GLU A 17 -5.698 -0.063 -13.440 1.00 0.00 C ATOM 256 CG GLU A 17 -6.568 -1.228 -13.943 1.00 0.00 C ATOM 257 CD GLU A 17 -7.721 -1.664 -13.028 1.00 0.00 C ATOM 258 OE1 GLU A 17 -8.170 -0.913 -12.132 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.215 -2.800 -13.197 1.00 0.00 O ATOM 0 H GLU A 17 -3.783 1.234 -12.830 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.941 0.013 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.291 0.848 -13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.859 0.041 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.986 -0.949 -14.910 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.921 -2.089 -14.112 1.00 0.00 H new ATOM 266 N GLU A 18 -3.232 -1.518 -11.255 1.00 0.00 N ATOM 267 CA GLU A 18 -2.550 -2.653 -10.667 1.00 0.00 C ATOM 268 C GLU A 18 -2.535 -2.496 -9.144 1.00 0.00 C ATOM 269 O GLU A 18 -2.872 -3.428 -8.411 1.00 0.00 O ATOM 270 CB GLU A 18 -1.137 -2.664 -11.255 1.00 0.00 C ATOM 271 CG GLU A 18 -0.644 -4.075 -11.542 1.00 0.00 C ATOM 272 CD GLU A 18 0.692 -4.066 -12.287 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.887 -3.198 -13.176 1.00 0.00 O ATOM 274 OE2 GLU A 18 1.505 -4.987 -12.036 1.00 0.00 O ATOM 0 H GLU A 18 -2.614 -0.715 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.047 -3.598 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.124 -2.082 -12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.453 -2.176 -10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.534 -4.620 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.388 -4.607 -12.135 1.00 0.00 H new ATOM 281 N ILE A 19 -2.165 -1.299 -8.681 1.00 0.00 N ATOM 282 CA ILE A 19 -2.125 -0.869 -7.295 1.00 0.00 C ATOM 283 C ILE A 19 -3.517 -1.022 -6.684 1.00 0.00 C ATOM 284 O ILE A 19 -3.676 -1.738 -5.694 1.00 0.00 O ATOM 285 CB ILE A 19 -1.540 0.565 -7.234 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.008 0.455 -7.418 1.00 0.00 C ATOM 287 CG2 ILE A 19 -1.931 1.278 -5.931 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.766 1.771 -7.301 1.00 0.00 C ATOM 0 H ILE A 19 -1.866 -0.558 -9.315 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.466 -1.490 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.955 1.181 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.380 -0.242 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.193 0.022 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.504 2.281 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.017 1.346 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.550 0.714 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.830 1.582 -7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.415 2.469 -8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.606 2.201 -6.312 1.00 0.00 H new ATOM 300 N LYS A 20 -4.533 -0.387 -7.274 1.00 0.00 N ATOM 301 CA LYS A 20 -5.902 -0.456 -6.770 1.00 0.00 C ATOM 302 C LYS A 20 -6.393 -1.903 -6.750 1.00 0.00 C ATOM 303 O LYS A 20 -7.004 -2.329 -5.768 1.00 0.00 O ATOM 304 CB LYS A 20 -6.784 0.461 -7.622 1.00 0.00 C ATOM 305 CG LYS A 20 -8.240 0.468 -7.133 1.00 0.00 C ATOM 306 CD LYS A 20 -9.028 1.633 -7.734 1.00 0.00 C ATOM 307 CE LYS A 20 -9.081 1.585 -9.267 1.00 0.00 C ATOM 308 NZ LYS A 20 -9.758 2.785 -9.790 1.00 0.00 N ATOM 0 H LYS A 20 -4.428 0.187 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.949 -0.107 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.387 1.476 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.751 0.134 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.719 -0.473 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.259 0.537 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.044 1.621 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.575 2.573 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.071 1.523 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.610 0.689 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.788 2.742 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.728 2.827 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.236 3.635 -9.494 1.00 0.00 H new ATOM 322 N ARG A 21 -6.046 -2.679 -7.781 1.00 0.00 N ATOM 323 CA ARG A 21 -6.323 -4.107 -7.870 1.00 0.00 C ATOM 324 C ARG A 21 -5.862 -4.797 -6.595 1.00 0.00 C ATOM 325 O ARG A 21 -6.648 -5.502 -5.969 1.00 0.00 O ATOM 326 CB ARG A 21 -5.593 -4.695 -9.085 1.00 0.00 C ATOM 327 CG ARG A 21 -6.386 -5.724 -9.883 1.00 0.00 C ATOM 328 CD ARG A 21 -7.330 -5.069 -10.897 1.00 0.00 C ATOM 329 NE ARG A 21 -7.347 -5.841 -12.147 1.00 0.00 N ATOM 330 CZ ARG A 21 -6.581 -5.648 -13.228 1.00 0.00 C ATOM 331 NH1 ARG A 21 -5.686 -4.672 -13.297 1.00 0.00 N ATOM 332 NH2 ARG A 21 -6.691 -6.487 -14.247 1.00 0.00 N ATOM 0 H ARG A 21 -5.552 -2.317 -8.596 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.395 -4.265 -7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.314 -3.879 -9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.667 -5.158 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.696 -6.385 -10.407 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.965 -6.344 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.337 -5.011 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.008 -4.047 -11.097 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.016 -6.609 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.563 -4.036 -12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.121 -4.557 -14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.351 -7.263 -14.199 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.116 -6.357 -15.079 1.00 0.00 H new ATOM 346 N ALA A 22 -4.601 -4.581 -6.206 1.00 0.00 N ATOM 347 CA ALA A 22 -4.039 -5.150 -4.996 1.00 0.00 C ATOM 348 C ALA A 22 -4.823 -4.651 -3.783 1.00 0.00 C ATOM 349 O ALA A 22 -5.339 -5.452 -3.014 1.00 0.00 O ATOM 350 CB ALA A 22 -2.543 -4.840 -4.885 1.00 0.00 C ATOM 0 H ALA A 22 -3.945 -4.002 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.129 -6.236 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.148 -5.278 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.020 -5.260 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.396 -3.760 -4.863 1.00 0.00 H new ATOM 356 N TYR A 23 -4.952 -3.343 -3.583 1.00 0.00 N ATOM 357 CA TYR A 23 -5.550 -2.745 -2.405 1.00 0.00 C ATOM 358 C TYR A 23 -6.980 -3.245 -2.143 1.00 0.00 C ATOM 359 O TYR A 23 -7.295 -3.585 -0.998 1.00 0.00 O ATOM 360 CB TYR A 23 -5.307 -1.225 -2.588 1.00 0.00 C ATOM 361 CG TYR A 23 -6.387 -0.193 -2.381 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.529 -0.213 -3.205 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.108 0.949 -1.607 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.405 0.879 -3.243 1.00 0.00 C ATOM 365 CE2 TYR A 23 -6.986 2.044 -1.626 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.120 2.009 -2.463 1.00 0.00 C ATOM 367 OH TYR A 23 -8.932 3.100 -2.524 1.00 0.00 O ATOM 0 H TYR A 23 -4.631 -2.652 -4.261 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.101 -3.047 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.491 -0.958 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.940 -1.090 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.732 -1.081 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.217 0.983 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.288 0.851 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.794 2.906 -1.005 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.593 3.794 -1.921 1.00 0.00 H new ATOM 377 N ARG A 24 -7.820 -3.441 -3.166 1.00 0.00 N ATOM 378 CA ARG A 24 -9.179 -3.963 -2.961 1.00 0.00 C ATOM 379 C ARG A 24 -9.214 -5.472 -2.696 1.00 0.00 C ATOM 380 O ARG A 24 -10.293 -6.023 -2.476 1.00 0.00 O ATOM 381 CB ARG A 24 -10.102 -3.560 -4.124 1.00 0.00 C ATOM 382 CG ARG A 24 -9.830 -4.304 -5.447 1.00 0.00 C ATOM 383 CD ARG A 24 -11.051 -5.067 -5.991 1.00 0.00 C ATOM 384 NE ARG A 24 -11.526 -6.119 -5.072 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.560 -6.944 -5.281 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.297 -6.859 -6.383 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.836 -7.884 -4.382 1.00 0.00 N ATOM 0 H ARG A 24 -7.586 -3.248 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.559 -3.500 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.136 -3.738 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.000 -2.489 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.499 -3.585 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.011 -5.007 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.861 -4.361 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.794 -5.518 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.019 -6.228 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.079 -6.156 -7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.080 -7.497 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.262 -7.971 -3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.621 -8.518 -4.531 1.00 0.00 H new ATOM 401 N ARG A 25 -8.083 -6.181 -2.743 1.00 0.00 N ATOM 402 CA ARG A 25 -7.981 -7.586 -2.341 1.00 0.00 C ATOM 403 C ARG A 25 -6.969 -7.797 -1.224 1.00 0.00 C ATOM 404 O ARG A 25 -6.825 -8.934 -0.788 1.00 0.00 O ATOM 405 CB ARG A 25 -7.770 -8.505 -3.562 1.00 0.00 C ATOM 406 CG ARG A 25 -6.460 -8.346 -4.345 1.00 0.00 C ATOM 407 CD ARG A 25 -5.253 -9.081 -3.759 1.00 0.00 C ATOM 408 NE ARG A 25 -4.092 -8.907 -4.642 1.00 0.00 N ATOM 409 CZ ARG A 25 -2.836 -9.292 -4.414 1.00 0.00 C ATOM 410 NH1 ARG A 25 -2.495 -9.833 -3.251 1.00 0.00 N ATOM 411 NH2 ARG A 25 -1.939 -9.129 -5.377 1.00 0.00 N ATOM 0 H ARG A 25 -7.199 -5.789 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.937 -7.879 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.836 -9.538 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.598 -8.343 -4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.620 -8.699 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.221 -7.284 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.027 -8.695 -2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.480 -10.141 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.267 -8.438 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.197 -9.958 -2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.531 -10.124 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.216 -8.717 -6.268 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.972 -9.416 -5.227 1.00 0.00 H new ATOM 425 N GLN A 26 -6.294 -6.744 -0.755 1.00 0.00 N ATOM 426 CA GLN A 26 -5.340 -6.794 0.339 1.00 0.00 C ATOM 427 C GLN A 26 -5.931 -6.214 1.625 1.00 0.00 C ATOM 428 O GLN A 26 -5.727 -6.803 2.682 1.00 0.00 O ATOM 429 CB GLN A 26 -4.094 -6.022 -0.103 1.00 0.00 C ATOM 430 CG GLN A 26 -3.217 -6.754 -1.137 1.00 0.00 C ATOM 431 CD GLN A 26 -2.580 -8.063 -0.674 1.00 0.00 C ATOM 432 OE1 GLN A 26 -3.261 -9.072 -0.513 1.00 0.00 O ATOM 433 NE2 GLN A 26 -1.265 -8.115 -0.566 1.00 0.00 N ATOM 0 H GLN A 26 -6.405 -5.807 -1.143 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.082 -7.828 0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.406 -5.066 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.488 -5.802 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.826 -6.962 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.422 -6.078 -1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.708 -7.271 -0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.806 -8.999 -0.347 1.00 0.00 H new ATOM 442 N ALA A 27 -6.693 -5.113 1.575 1.00 0.00 N ATOM 443 CA ALA A 27 -7.413 -4.659 2.766 1.00 0.00 C ATOM 444 C ALA A 27 -8.507 -5.660 3.096 1.00 0.00 C ATOM 445 O ALA A 27 -8.516 -6.209 4.191 1.00 0.00 O ATOM 446 CB ALA A 27 -8.014 -3.273 2.577 1.00 0.00 C ATOM 0 H ALA A 27 -6.824 -4.535 0.745 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.701 -4.592 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.539 -2.977 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.219 -2.557 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.715 -3.291 1.743 1.00 0.00 H new ATOM 452 N LEU A 28 -9.382 -5.949 2.128 1.00 0.00 N ATOM 453 CA LEU A 28 -10.527 -6.856 2.249 1.00 0.00 C ATOM 454 C LEU A 28 -10.132 -8.234 2.806 1.00 0.00 C ATOM 455 O LEU A 28 -10.919 -8.911 3.468 1.00 0.00 O ATOM 456 CB LEU A 28 -11.188 -6.968 0.864 1.00 0.00 C ATOM 457 CG LEU A 28 -12.592 -7.599 0.871 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.592 -6.786 1.708 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.115 -7.658 -0.568 1.00 0.00 C ATOM 0 H LEU A 28 -9.308 -5.539 1.197 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.235 -6.449 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.254 -5.972 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.542 -7.559 0.215 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.504 -8.592 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.568 -7.271 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.242 -6.729 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.676 -5.780 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.110 -8.104 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.166 -6.649 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.442 -8.263 -1.175 1.00 0.00 H new ATOM 471 N ARG A 29 -8.873 -8.614 2.586 1.00 0.00 N ATOM 472 CA ARG A 29 -8.212 -9.817 3.061 1.00 0.00 C ATOM 473 C ARG A 29 -8.233 -9.931 4.585 1.00 0.00 C ATOM 474 O ARG A 29 -8.565 -11.000 5.098 1.00 0.00 O ATOM 475 CB ARG A 29 -6.776 -9.779 2.515 1.00 0.00 C ATOM 476 CG ARG A 29 -6.220 -11.163 2.208 1.00 0.00 C ATOM 477 CD ARG A 29 -4.922 -11.017 1.402 1.00 0.00 C ATOM 478 NE ARG A 29 -4.358 -12.326 1.056 1.00 0.00 N ATOM 479 CZ ARG A 29 -4.858 -13.168 0.146 1.00 0.00 C ATOM 480 NH1 ARG A 29 -5.860 -12.798 -0.653 1.00 0.00 N ATOM 481 NH2 ARG A 29 -4.352 -14.387 0.052 1.00 0.00 N ATOM 0 H ARG A 29 -8.244 -8.038 2.026 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.741 -10.701 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.754 -9.175 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.130 -9.287 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.028 -11.705 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.949 -11.744 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.119 -10.452 0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.195 -10.447 1.980 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.515 -12.618 1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.256 -11.861 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.231 -13.452 -1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.591 -14.672 0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.723 -15.041 -0.637 1.00 0.00 H new ATOM 495 N TYR A 30 -7.928 -8.845 5.297 1.00 0.00 N ATOM 496 CA TYR A 30 -7.738 -8.809 6.751 1.00 0.00 C ATOM 497 C TYR A 30 -8.534 -7.661 7.387 1.00 0.00 C ATOM 498 O TYR A 30 -8.225 -7.212 8.492 1.00 0.00 O ATOM 499 CB TYR A 30 -6.233 -8.693 7.064 1.00 0.00 C ATOM 500 CG TYR A 30 -5.356 -9.685 6.318 1.00 0.00 C ATOM 501 CD1 TYR A 30 -5.569 -11.061 6.487 1.00 0.00 C ATOM 502 CD2 TYR A 30 -4.373 -9.243 5.412 1.00 0.00 C ATOM 503 CE1 TYR A 30 -4.833 -11.991 5.741 1.00 0.00 C ATOM 504 CE2 TYR A 30 -3.621 -10.167 4.662 1.00 0.00 C ATOM 505 CZ TYR A 30 -3.870 -11.550 4.808 1.00 0.00 C ATOM 506 OH TYR A 30 -3.214 -12.468 4.045 1.00 0.00 O ATOM 0 H TYR A 30 -7.801 -7.931 4.862 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.118 -9.734 7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.902 -7.683 6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.086 -8.831 8.135 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.306 -11.406 7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.194 -8.185 5.291 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.003 -13.048 5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.859 -9.821 3.980 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.584 -12.009 3.451 1.00 0.00 H new ATOM 516 N HIS A 31 -9.515 -7.132 6.655 1.00 0.00 N ATOM 517 CA HIS A 31 -10.347 -6.009 7.050 1.00 0.00 C ATOM 518 C HIS A 31 -11.050 -6.394 8.350 1.00 0.00 C ATOM 519 O HIS A 31 -11.677 -7.452 8.373 1.00 0.00 O ATOM 520 CB HIS A 31 -11.387 -5.748 5.936 1.00 0.00 C ATOM 521 CG HIS A 31 -11.596 -4.319 5.502 1.00 0.00 C ATOM 522 ND1 HIS A 31 -10.722 -3.264 5.643 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.676 -3.863 4.793 1.00 0.00 C ATOM 524 CE1 HIS A 31 -11.264 -2.198 5.032 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.464 -2.510 4.507 1.00 0.00 N ATOM 0 H HIS A 31 -9.757 -7.494 5.733 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.756 -5.105 7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.094 -6.327 5.060 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.346 -6.142 6.272 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -9.824 -3.288 6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.539 -4.445 4.506 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.801 -1.224 4.970 1.00 0.00 H new ATOM 533 N PRO A 32 -11.080 -5.541 9.385 1.00 0.00 N ATOM 534 CA PRO A 32 -11.820 -5.841 10.610 1.00 0.00 C ATOM 535 C PRO A 32 -13.330 -5.986 10.350 1.00 0.00 C ATOM 536 O PRO A 32 -14.059 -6.529 11.183 1.00 0.00 O ATOM 537 CB PRO A 32 -11.491 -4.688 11.561 1.00 0.00 C ATOM 538 CG PRO A 32 -11.191 -3.528 10.616 1.00 0.00 C ATOM 539 CD PRO A 32 -10.512 -4.204 9.431 1.00 0.00 C ATOM 0 HA PRO A 32 -11.531 -6.801 11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -12.327 -4.462 12.223 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.636 -4.921 12.195 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.101 -3.009 10.315 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.541 -2.787 11.082 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.703 -3.662 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.431 -4.239 9.563 1.00 0.00 H new ATOM 547 N ASP A 33 -13.782 -5.556 9.175 1.00 0.00 N ATOM 548 CA ASP A 33 -15.135 -5.603 8.640 1.00 0.00 C ATOM 549 C ASP A 33 -15.462 -6.958 7.993 1.00 0.00 C ATOM 550 O ASP A 33 -16.647 -7.268 7.834 1.00 0.00 O ATOM 551 CB ASP A 33 -15.188 -4.498 7.575 1.00 0.00 C ATOM 552 CG ASP A 33 -16.368 -4.601 6.609 1.00 0.00 C ATOM 553 OD1 ASP A 33 -17.451 -4.055 6.911 1.00 0.00 O ATOM 554 OD2 ASP A 33 -16.188 -5.125 5.486 1.00 0.00 O ATOM 0 H ASP A 33 -13.143 -5.123 8.509 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.864 -5.464 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.229 -3.531 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.262 -4.521 7.000 1.00 0.00 H new ATOM 559 N LYS A 34 -14.467 -7.772 7.616 1.00 0.00 N ATOM 560 CA LYS A 34 -14.689 -8.928 6.736 1.00 0.00 C ATOM 561 C LYS A 34 -13.897 -10.159 7.202 1.00 0.00 C ATOM 562 O LYS A 34 -14.294 -11.283 6.887 1.00 0.00 O ATOM 563 CB LYS A 34 -14.327 -8.492 5.295 1.00 0.00 C ATOM 564 CG LYS A 34 -14.187 -9.601 4.235 1.00 0.00 C ATOM 565 CD LYS A 34 -15.563 -10.174 3.878 1.00 0.00 C ATOM 566 CE LYS A 34 -16.388 -9.193 3.030 1.00 0.00 C ATOM 567 NZ LYS A 34 -17.837 -9.346 3.264 1.00 0.00 N ATOM 0 H LYS A 34 -13.497 -7.651 7.908 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.734 -9.238 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.090 -7.793 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.386 -7.943 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.710 -9.200 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.542 -10.395 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.437 -11.109 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.107 -10.410 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.089 -8.171 3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.172 -9.355 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.358 -8.667 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.128 -10.313 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.048 -9.166 4.266 1.00 0.00 H new ATOM 581 N ASN A 35 -12.772 -9.979 7.897 1.00 0.00 N ATOM 582 CA ASN A 35 -11.933 -11.035 8.444 1.00 0.00 C ATOM 583 C ASN A 35 -11.063 -10.426 9.538 1.00 0.00 C ATOM 584 O ASN A 35 -10.056 -9.782 9.234 1.00 0.00 O ATOM 585 CB ASN A 35 -11.027 -11.633 7.358 1.00 0.00 C ATOM 586 CG ASN A 35 -10.115 -12.732 7.879 1.00 0.00 C ATOM 587 OD1 ASN A 35 -10.366 -13.346 8.910 1.00 0.00 O ATOM 588 ND2 ASN A 35 -9.046 -13.030 7.163 1.00 0.00 N ATOM 0 H ASN A 35 -12.409 -9.048 8.100 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.565 -11.830 8.839 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.647 -12.034 6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.418 -10.840 6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.421 -13.777 7.466 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.846 -12.513 6.307 1.00 0.00 H new ATOM 595 N LYS A 36 -11.405 -10.658 10.806 1.00 0.00 N ATOM 596 CA LYS A 36 -10.530 -10.313 11.922 1.00 0.00 C ATOM 597 C LYS A 36 -9.569 -11.488 12.027 1.00 0.00 C ATOM 598 O LYS A 36 -9.752 -12.393 12.846 1.00 0.00 O ATOM 599 CB LYS A 36 -11.322 -10.105 13.219 1.00 0.00 C ATOM 600 CG LYS A 36 -11.920 -8.702 13.417 1.00 0.00 C ATOM 601 CD LYS A 36 -10.866 -7.629 13.721 1.00 0.00 C ATOM 602 CE LYS A 36 -10.189 -7.835 15.079 1.00 0.00 C ATOM 603 NZ LYS A 36 -8.815 -7.303 15.100 1.00 0.00 N ATOM 0 H LYS A 36 -12.288 -11.086 11.085 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.007 -9.370 11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.133 -10.833 13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.667 -10.323 14.062 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.468 -8.418 12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.641 -8.734 14.234 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.109 -7.637 12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.337 -6.646 13.700 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.778 -7.347 15.855 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.169 -8.899 15.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.395 -7.464 16.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.244 -7.787 14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.835 -6.283 14.900 1.00 0.00 H new ATOM 617 N GLU A 37 -8.611 -11.515 11.105 1.00 0.00 N ATOM 618 CA GLU A 37 -7.687 -12.620 10.960 1.00 0.00 C ATOM 619 C GLU A 37 -6.777 -12.615 12.202 1.00 0.00 C ATOM 620 O GLU A 37 -6.329 -11.539 12.621 1.00 0.00 O ATOM 621 CB GLU A 37 -6.928 -12.464 9.633 1.00 0.00 C ATOM 622 CG GLU A 37 -6.440 -13.773 8.988 1.00 0.00 C ATOM 623 CD GLU A 37 -4.971 -14.119 9.264 1.00 0.00 C ATOM 624 OE1 GLU A 37 -4.072 -13.410 8.751 1.00 0.00 O ATOM 625 OE2 GLU A 37 -4.712 -15.162 9.905 1.00 0.00 O ATOM 0 H GLU A 37 -8.458 -10.761 10.435 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.185 -13.588 10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.576 -11.950 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.065 -11.820 9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.065 -14.592 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.586 -13.707 7.910 1.00 0.00 H new ATOM 632 N PRO A 38 -6.539 -13.765 12.846 1.00 0.00 N ATOM 633 CA PRO A 38 -5.888 -13.816 14.148 1.00 0.00 C ATOM 634 C PRO A 38 -4.431 -13.360 14.067 1.00 0.00 C ATOM 635 O PRO A 38 -3.606 -13.977 13.391 1.00 0.00 O ATOM 636 CB PRO A 38 -6.040 -15.255 14.637 1.00 0.00 C ATOM 637 CG PRO A 38 -6.304 -16.057 13.363 1.00 0.00 C ATOM 638 CD PRO A 38 -7.029 -15.074 12.458 1.00 0.00 C ATOM 0 HA PRO A 38 -6.348 -13.127 14.857 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.140 -15.600 15.146 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.863 -15.350 15.345 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.376 -16.407 12.911 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.912 -16.939 13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.819 -15.277 11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.109 -15.144 12.586 1.00 0.00 H new ATOM 646 N GLY A 39 -4.105 -12.282 14.770 1.00 0.00 N ATOM 647 CA GLY A 39 -2.788 -11.657 14.780 1.00 0.00 C ATOM 648 C GLY A 39 -2.585 -10.673 13.630 1.00 0.00 C ATOM 649 O GLY A 39 -1.546 -10.010 13.567 1.00 0.00 O ATOM 0 H GLY A 39 -4.775 -11.802 15.371 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.647 -11.135 15.726 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.024 -12.432 14.727 1.00 0.00 H new ATOM 653 N ALA A 40 -3.548 -10.543 12.713 1.00 0.00 N ATOM 654 CA ALA A 40 -3.435 -9.637 11.579 1.00 0.00 C ATOM 655 C ALA A 40 -3.707 -8.183 11.959 1.00 0.00 C ATOM 656 O ALA A 40 -3.685 -7.343 11.069 1.00 0.00 O ATOM 657 CB ALA A 40 -4.369 -10.072 10.455 1.00 0.00 C ATOM 0 H ALA A 40 -4.424 -11.064 12.741 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.403 -9.690 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.272 -9.384 9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.105 -11.079 10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.398 -10.064 10.814 1.00 0.00 H new ATOM 663 N GLU A 41 -3.943 -7.856 13.232 1.00 0.00 N ATOM 664 CA GLU A 41 -4.117 -6.478 13.688 1.00 0.00 C ATOM 665 C GLU A 41 -2.909 -5.637 13.254 1.00 0.00 C ATOM 666 O GLU A 41 -3.058 -4.556 12.683 1.00 0.00 O ATOM 667 CB GLU A 41 -4.298 -6.514 15.216 1.00 0.00 C ATOM 668 CG GLU A 41 -5.114 -5.370 15.816 1.00 0.00 C ATOM 669 CD GLU A 41 -4.512 -3.979 15.638 1.00 0.00 C ATOM 670 OE1 GLU A 41 -3.428 -3.680 16.184 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.213 -3.120 15.057 1.00 0.00 O ATOM 0 H GLU A 41 -4.019 -8.546 13.979 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.997 -6.012 13.244 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.776 -7.456 15.484 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.312 -6.514 15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.107 -5.379 15.367 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.245 -5.558 16.882 1.00 0.00 H new ATOM 678 N GLU A 42 -1.708 -6.183 13.461 1.00 0.00 N ATOM 679 CA GLU A 42 -0.460 -5.557 13.056 1.00 0.00 C ATOM 680 C GLU A 42 -0.318 -5.565 11.533 1.00 0.00 C ATOM 681 O GLU A 42 0.002 -4.542 10.934 1.00 0.00 O ATOM 682 CB GLU A 42 0.703 -6.281 13.745 1.00 0.00 C ATOM 683 CG GLU A 42 2.036 -5.560 13.521 1.00 0.00 C ATOM 684 CD GLU A 42 3.187 -6.276 14.228 1.00 0.00 C ATOM 685 OE1 GLU A 42 3.158 -6.345 15.483 1.00 0.00 O ATOM 686 OE2 GLU A 42 4.107 -6.768 13.533 1.00 0.00 O ATOM 0 H GLU A 42 -1.580 -7.084 13.921 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.452 -4.512 13.364 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.504 -6.353 14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.773 -7.300 13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.244 -5.502 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.963 -4.536 13.888 1.00 0.00 H new ATOM 693 N LYS A 43 -0.593 -6.700 10.883 1.00 0.00 N ATOM 694 CA LYS A 43 -0.434 -6.822 9.436 1.00 0.00 C ATOM 695 C LYS A 43 -1.350 -5.852 8.702 1.00 0.00 C ATOM 696 O LYS A 43 -0.983 -5.331 7.653 1.00 0.00 O ATOM 697 CB LYS A 43 -0.701 -8.251 8.930 1.00 0.00 C ATOM 698 CG LYS A 43 0.406 -8.771 7.992 1.00 0.00 C ATOM 699 CD LYS A 43 0.686 -7.869 6.775 1.00 0.00 C ATOM 700 CE LYS A 43 1.775 -8.441 5.857 1.00 0.00 C ATOM 701 NZ LYS A 43 2.281 -7.440 4.886 1.00 0.00 N ATOM 0 H LYS A 43 -0.928 -7.548 11.340 1.00 0.00 H new ATOM 0 HA LYS A 43 0.607 -6.577 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.792 -8.922 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.656 -8.273 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.327 -8.884 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.128 -9.763 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.234 -7.738 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.989 -6.881 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.604 -8.805 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.376 -9.299 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.939 -7.900 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.483 -7.036 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.777 -6.681 5.396 1.00 0.00 H new ATOM 715 N PHE A 44 -2.552 -5.638 9.225 1.00 0.00 N ATOM 716 CA PHE A 44 -3.519 -4.721 8.650 1.00 0.00 C ATOM 717 C PHE A 44 -2.959 -3.305 8.730 1.00 0.00 C ATOM 718 O PHE A 44 -3.015 -2.592 7.738 1.00 0.00 O ATOM 719 CB PHE A 44 -4.877 -4.835 9.349 1.00 0.00 C ATOM 720 CG PHE A 44 -5.960 -4.008 8.677 1.00 0.00 C ATOM 721 CD1 PHE A 44 -6.502 -4.439 7.452 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.412 -2.803 9.248 1.00 0.00 C ATOM 723 CE1 PHE A 44 -7.465 -3.663 6.782 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.397 -2.043 8.591 1.00 0.00 C ATOM 725 CZ PHE A 44 -7.914 -2.460 7.354 1.00 0.00 C ATOM 0 H PHE A 44 -2.883 -6.104 10.070 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.689 -4.978 7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.184 -5.881 9.367 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.774 -4.515 10.386 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.175 -5.374 7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.004 -2.463 10.188 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.858 -3.990 5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.759 -1.131 9.042 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.653 -1.859 6.844 1.00 0.00 H new ATOM 735 N LYS A 45 -2.372 -2.903 9.864 1.00 0.00 N ATOM 736 CA LYS A 45 -1.667 -1.622 9.984 1.00 0.00 C ATOM 737 C LYS A 45 -0.473 -1.525 9.033 1.00 0.00 C ATOM 738 O LYS A 45 -0.194 -0.440 8.522 1.00 0.00 O ATOM 739 CB LYS A 45 -1.180 -1.401 11.418 1.00 0.00 C ATOM 740 CG LYS A 45 -2.306 -1.028 12.381 1.00 0.00 C ATOM 741 CD LYS A 45 -1.769 -1.082 13.815 1.00 0.00 C ATOM 742 CE LYS A 45 -2.630 -0.284 14.793 1.00 0.00 C ATOM 743 NZ LYS A 45 -4.040 -0.706 14.795 1.00 0.00 N ATOM 0 H LYS A 45 -2.373 -3.455 10.722 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.386 -0.849 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.691 -2.308 11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.429 -0.611 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.680 -0.029 12.156 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.144 -1.715 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.721 -2.121 14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.750 -0.694 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.223 -0.392 15.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.574 0.774 14.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.495 -0.394 15.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.531 -0.281 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.092 -1.742 14.727 1.00 0.00 H new ATOM 757 N GLU A 46 0.226 -2.624 8.769 1.00 0.00 N ATOM 758 CA GLU A 46 1.408 -2.655 7.929 1.00 0.00 C ATOM 759 C GLU A 46 0.988 -2.483 6.475 1.00 0.00 C ATOM 760 O GLU A 46 1.544 -1.663 5.752 1.00 0.00 O ATOM 761 CB GLU A 46 2.070 -4.021 8.161 1.00 0.00 C ATOM 762 CG GLU A 46 3.589 -3.975 8.052 1.00 0.00 C ATOM 763 CD GLU A 46 4.159 -4.540 6.750 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.733 -5.652 6.351 1.00 0.00 O ATOM 765 OE2 GLU A 46 5.084 -3.906 6.194 1.00 0.00 O ATOM 0 H GLU A 46 -0.024 -3.539 9.145 1.00 0.00 H new ATOM 0 HA GLU A 46 2.108 -1.854 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.794 -4.389 9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.681 -4.735 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.915 -2.940 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.016 -4.528 8.889 1.00 0.00 H new ATOM 772 N ILE A 47 -0.082 -3.186 6.081 1.00 0.00 N ATOM 773 CA ILE A 47 -0.797 -2.940 4.843 1.00 0.00 C ATOM 774 C ILE A 47 -1.199 -1.474 4.813 1.00 0.00 C ATOM 775 O ILE A 47 -0.847 -0.825 3.846 1.00 0.00 O ATOM 776 CB ILE A 47 -1.991 -3.912 4.661 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.430 -5.279 4.210 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.042 -3.396 3.654 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.517 -6.334 3.987 1.00 0.00 C ATOM 0 H ILE A 47 -0.473 -3.952 6.629 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.151 -3.140 3.988 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.513 -4.000 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.867 -5.146 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.729 -5.642 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.852 -4.120 3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.441 -2.443 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.575 -3.260 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.056 -7.270 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.065 -6.494 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.205 -5.990 3.215 1.00 0.00 H new ATOM 791 N ALA A 48 -1.917 -0.950 5.812 1.00 0.00 N ATOM 792 CA ALA A 48 -2.535 0.373 5.796 1.00 0.00 C ATOM 793 C ALA A 48 -1.491 1.485 5.623 1.00 0.00 C ATOM 794 O ALA A 48 -1.797 2.551 5.088 1.00 0.00 O ATOM 795 CB ALA A 48 -3.330 0.597 7.087 1.00 0.00 C ATOM 0 H ALA A 48 -2.088 -1.455 6.682 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.210 0.414 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.787 1.586 7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.109 -0.161 7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.660 0.525 7.944 1.00 0.00 H new ATOM 801 N GLU A 49 -0.257 1.246 6.063 1.00 0.00 N ATOM 802 CA GLU A 49 0.863 2.156 5.863 1.00 0.00 C ATOM 803 C GLU A 49 1.230 2.223 4.374 1.00 0.00 C ATOM 804 O GLU A 49 1.315 3.309 3.802 1.00 0.00 O ATOM 805 CB GLU A 49 2.040 1.709 6.738 1.00 0.00 C ATOM 806 CG GLU A 49 2.939 2.897 7.084 1.00 0.00 C ATOM 807 CD GLU A 49 4.138 2.459 7.920 1.00 0.00 C ATOM 808 OE1 GLU A 49 3.982 2.145 9.127 1.00 0.00 O ATOM 809 OE2 GLU A 49 5.271 2.475 7.388 1.00 0.00 O ATOM 0 H GLU A 49 -0.006 0.401 6.576 1.00 0.00 H new ATOM 0 HA GLU A 49 0.588 3.166 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.665 1.251 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.620 0.948 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.287 3.372 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.364 3.644 7.632 1.00 0.00 H new ATOM 816 N ALA A 50 1.341 1.067 3.713 1.00 0.00 N ATOM 817 CA ALA A 50 1.611 0.995 2.281 1.00 0.00 C ATOM 818 C ALA A 50 0.363 1.396 1.483 1.00 0.00 C ATOM 819 O ALA A 50 0.482 1.935 0.391 1.00 0.00 O ATOM 820 CB ALA A 50 1.988 -0.444 1.916 1.00 0.00 C ATOM 0 H ALA A 50 1.245 0.155 4.160 1.00 0.00 H new ATOM 0 HA ALA A 50 2.426 1.677 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.191 -0.507 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.877 -0.739 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.164 -1.111 2.168 1.00 0.00 H new ATOM 826 N TYR A 51 -0.828 1.147 2.022 1.00 0.00 N ATOM 827 CA TYR A 51 -2.138 1.401 1.446 1.00 0.00 C ATOM 828 C TYR A 51 -2.329 2.893 1.274 1.00 0.00 C ATOM 829 O TYR A 51 -2.747 3.341 0.210 1.00 0.00 O ATOM 830 CB TYR A 51 -3.205 0.861 2.409 1.00 0.00 C ATOM 831 CG TYR A 51 -4.538 0.484 1.826 1.00 0.00 C ATOM 832 CD1 TYR A 51 -4.676 -0.800 1.282 1.00 0.00 C ATOM 833 CD2 TYR A 51 -5.655 1.327 1.960 1.00 0.00 C ATOM 834 CE1 TYR A 51 -5.929 -1.249 0.857 1.00 0.00 C ATOM 835 CE2 TYR A 51 -6.919 0.883 1.534 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.057 -0.409 0.975 1.00 0.00 C ATOM 837 OH TYR A 51 -8.280 -0.823 0.541 1.00 0.00 O ATOM 0 H TYR A 51 -0.903 0.728 2.949 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.224 0.912 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.795 -0.018 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.375 1.614 3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.813 -1.443 1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.543 2.312 2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.034 -2.239 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.781 1.526 1.633 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.180 -1.644 0.016 1.00 0.00 H new ATOM 847 N ASP A 52 -2.027 3.657 2.328 1.00 0.00 N ATOM 848 CA ASP A 52 -2.161 5.103 2.334 1.00 0.00 C ATOM 849 C ASP A 52 -1.324 5.704 1.224 1.00 0.00 C ATOM 850 O ASP A 52 -1.821 6.499 0.430 1.00 0.00 O ATOM 851 CB ASP A 52 -1.711 5.688 3.667 1.00 0.00 C ATOM 852 CG ASP A 52 -1.844 7.209 3.641 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.965 7.677 3.941 1.00 0.00 O ATOM 854 OD2 ASP A 52 -0.868 7.931 3.348 1.00 0.00 O ATOM 0 H ASP A 52 -1.679 3.277 3.208 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.213 5.343 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.313 5.276 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.676 5.408 3.866 1.00 0.00 H new ATOM 859 N VAL A 53 -0.080 5.240 1.145 1.00 0.00 N ATOM 860 CA VAL A 53 0.892 5.677 0.175 1.00 0.00 C ATOM 861 C VAL A 53 0.375 5.298 -1.202 1.00 0.00 C ATOM 862 O VAL A 53 0.129 6.168 -2.026 1.00 0.00 O ATOM 863 CB VAL A 53 2.243 5.019 0.496 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.271 5.380 -0.577 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.807 5.434 1.856 1.00 0.00 C ATOM 0 H VAL A 53 0.281 4.527 1.779 1.00 0.00 H new ATOM 0 HA VAL A 53 1.041 6.756 0.202 1.00 0.00 H new ATOM 0 HB VAL A 53 2.057 3.945 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.225 4.909 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.923 5.027 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.399 6.462 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.762 4.935 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.954 6.514 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.108 5.150 2.642 1.00 0.00 H new ATOM 875 N LEU A 54 0.196 4.008 -1.471 1.00 0.00 N ATOM 876 CA LEU A 54 -0.269 3.473 -2.733 1.00 0.00 C ATOM 877 C LEU A 54 -1.790 3.670 -2.873 1.00 0.00 C ATOM 878 O LEU A 54 -2.512 2.786 -3.338 1.00 0.00 O ATOM 879 CB LEU A 54 0.216 2.026 -2.873 1.00 0.00 C ATOM 880 CG LEU A 54 1.710 1.819 -3.200 1.00 0.00 C ATOM 881 CD1 LEU A 54 2.625 1.835 -1.979 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.934 0.462 -3.881 1.00 0.00 C ATOM 0 H LEU A 54 0.381 3.281 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 54 0.158 4.018 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.003 1.503 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.372 1.545 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 54 1.963 2.660 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.657 1.683 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.539 2.796 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.334 1.037 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.994 0.337 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.605 -0.337 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.362 0.421 -4.808 1.00 0.00 H new ATOM 894 N SER A 55 -2.284 4.851 -2.497 1.00 0.00 N ATOM 895 CA SER A 55 -3.553 5.389 -2.935 1.00 0.00 C ATOM 896 C SER A 55 -3.562 6.926 -2.940 1.00 0.00 C ATOM 897 O SER A 55 -4.238 7.483 -3.808 1.00 0.00 O ATOM 898 CB SER A 55 -4.694 4.791 -2.110 1.00 0.00 C ATOM 899 OG SER A 55 -4.543 5.019 -0.725 1.00 0.00 O ATOM 0 H SER A 55 -1.788 5.472 -1.858 1.00 0.00 H new ATOM 0 HA SER A 55 -3.709 5.096 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.640 5.218 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.746 3.718 -2.294 1.00 0.00 H new ATOM 0 HG SER A 55 -4.056 4.270 -0.321 1.00 0.00 H new ATOM 905 N ASP A 56 -2.821 7.639 -2.079 1.00 0.00 N ATOM 906 CA ASP A 56 -3.061 9.076 -1.881 1.00 0.00 C ATOM 907 C ASP A 56 -1.850 9.900 -2.352 1.00 0.00 C ATOM 908 O ASP A 56 -0.736 9.678 -1.857 1.00 0.00 O ATOM 909 CB ASP A 56 -3.321 9.362 -0.400 1.00 0.00 C ATOM 910 CG ASP A 56 -3.505 10.847 -0.119 1.00 0.00 C ATOM 911 OD1 ASP A 56 -4.306 11.492 -0.831 1.00 0.00 O ATOM 912 OD2 ASP A 56 -2.919 11.347 0.860 1.00 0.00 O ATOM 0 H ASP A 56 -2.063 7.252 -1.517 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.933 9.361 -2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.211 8.821 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.488 8.984 0.192 1.00 0.00 H new ATOM 917 N PRO A 57 -2.014 10.869 -3.277 1.00 0.00 N ATOM 918 CA PRO A 57 -0.927 11.697 -3.800 1.00 0.00 C ATOM 919 C PRO A 57 -0.474 12.781 -2.800 1.00 0.00 C ATOM 920 O PRO A 57 -0.264 13.940 -3.163 1.00 0.00 O ATOM 921 CB PRO A 57 -1.473 12.269 -5.115 1.00 0.00 C ATOM 922 CG PRO A 57 -2.954 12.448 -4.808 1.00 0.00 C ATOM 923 CD PRO A 57 -3.255 11.210 -3.962 1.00 0.00 C ATOM 0 HA PRO A 57 -0.017 11.121 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.996 13.214 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.311 11.589 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.149 13.372 -4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.558 12.479 -5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.051 11.413 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.593 10.384 -4.588 1.00 0.00 H new ATOM 931 N ARG A 58 -0.311 12.425 -1.524 1.00 0.00 N ATOM 932 CA ARG A 58 0.406 13.231 -0.543 1.00 0.00 C ATOM 933 C ARG A 58 1.569 12.410 -0.024 1.00 0.00 C ATOM 934 O ARG A 58 2.707 12.848 -0.202 1.00 0.00 O ATOM 935 CB ARG A 58 -0.489 13.760 0.588 1.00 0.00 C ATOM 936 CG ARG A 58 -1.495 14.837 0.163 1.00 0.00 C ATOM 937 CD ARG A 58 -2.789 14.260 -0.411 1.00 0.00 C ATOM 938 NE ARG A 58 -3.668 15.299 -0.960 1.00 0.00 N ATOM 939 CZ ARG A 58 -4.620 15.065 -1.869 1.00 0.00 C ATOM 940 NH1 ARG A 58 -4.969 13.822 -2.189 1.00 0.00 N ATOM 941 NH2 ARG A 58 -5.202 16.085 -2.484 1.00 0.00 N ATOM 0 H ARG A 58 -0.680 11.555 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 58 0.775 14.133 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.036 12.923 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.146 14.167 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.734 15.462 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.032 15.484 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.547 13.541 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.319 13.715 0.370 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.545 16.256 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.508 13.031 -1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.697 13.660 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.923 17.041 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.929 15.914 -3.179 1.00 0.00 H new ATOM 955 N LYS A 59 1.363 11.184 0.489 1.00 0.00 N ATOM 956 CA LYS A 59 2.541 10.418 0.919 1.00 0.00 C ATOM 957 C LYS A 59 3.266 9.935 -0.322 1.00 0.00 C ATOM 958 O LYS A 59 4.495 10.011 -0.364 1.00 0.00 O ATOM 959 CB LYS A 59 2.182 9.212 1.802 1.00 0.00 C ATOM 960 CG LYS A 59 3.218 8.834 2.873 1.00 0.00 C ATOM 961 CD LYS A 59 4.686 8.610 2.465 1.00 0.00 C ATOM 962 CE LYS A 59 5.561 9.872 2.556 1.00 0.00 C ATOM 963 NZ LYS A 59 5.729 10.370 3.940 1.00 0.00 N ATOM 0 H LYS A 59 0.458 10.729 0.610 1.00 0.00 H new ATOM 0 HA LYS A 59 3.168 11.073 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.234 9.419 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.023 8.348 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.206 9.618 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.870 7.920 3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.115 7.836 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.715 8.234 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.542 9.656 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.117 10.658 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.526 11.037 3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.859 10.853 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.920 9.570 4.576 1.00 0.00 H new ATOM 977 N ARG A 60 2.538 9.455 -1.338 1.00 0.00 N ATOM 978 CA ARG A 60 3.198 8.949 -2.512 1.00 0.00 C ATOM 979 C ARG A 60 3.980 9.989 -3.267 1.00 0.00 C ATOM 980 O ARG A 60 4.872 9.559 -3.972 1.00 0.00 O ATOM 981 CB ARG A 60 2.209 8.251 -3.453 1.00 0.00 C ATOM 982 CG ARG A 60 2.928 7.014 -3.986 1.00 0.00 C ATOM 983 CD ARG A 60 2.039 5.970 -4.650 1.00 0.00 C ATOM 984 NE ARG A 60 2.881 5.025 -5.402 1.00 0.00 N ATOM 985 CZ ARG A 60 2.991 4.996 -6.731 1.00 0.00 C ATOM 986 NH1 ARG A 60 1.995 5.389 -7.510 1.00 0.00 N ATOM 987 NH2 ARG A 60 4.128 4.586 -7.267 1.00 0.00 N ATOM 0 H ARG A 60 1.519 9.413 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 60 3.920 8.222 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.298 7.973 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.915 8.912 -4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.680 7.335 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.459 6.541 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.458 5.438 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.327 6.454 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 60 3.419 4.343 -4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.124 5.721 -7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.099 5.359 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.901 4.299 -6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.232 4.556 -8.281 1.00 0.00 H new ATOM 1001 N GLU A 61 3.719 11.286 -3.122 1.00 0.00 N ATOM 1002 CA GLU A 61 4.323 12.325 -3.951 1.00 0.00 C ATOM 1003 C GLU A 61 5.842 12.139 -4.044 1.00 0.00 C ATOM 1004 O GLU A 61 6.383 12.049 -5.142 1.00 0.00 O ATOM 1005 CB GLU A 61 3.898 13.686 -3.365 1.00 0.00 C ATOM 1006 CG GLU A 61 4.052 14.895 -4.301 1.00 0.00 C ATOM 1007 CD GLU A 61 5.483 15.399 -4.531 1.00 0.00 C ATOM 1008 OE1 GLU A 61 6.406 15.105 -3.739 1.00 0.00 O ATOM 1009 OE2 GLU A 61 5.673 16.166 -5.506 1.00 0.00 O ATOM 0 H GLU A 61 3.076 11.648 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 61 3.973 12.267 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.854 13.618 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.483 13.871 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.621 14.636 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.460 15.717 -3.898 1.00 0.00 H new ATOM 1016 N ILE A 62 6.515 11.910 -2.913 1.00 0.00 N ATOM 1017 CA ILE A 62 7.977 11.830 -2.879 1.00 0.00 C ATOM 1018 C ILE A 62 8.442 10.498 -3.507 1.00 0.00 C ATOM 1019 O ILE A 62 9.485 10.432 -4.161 1.00 0.00 O ATOM 1020 CB ILE A 62 8.451 12.006 -1.410 1.00 0.00 C ATOM 1021 CG1 ILE A 62 7.900 13.328 -0.810 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.987 11.969 -1.298 1.00 0.00 C ATOM 1023 CD1 ILE A 62 8.271 13.575 0.654 1.00 0.00 C ATOM 0 H ILE A 62 6.068 11.776 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 62 8.427 12.627 -3.471 1.00 0.00 H new ATOM 0 HB ILE A 62 8.055 11.167 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.267 14.162 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.814 13.325 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.279 12.095 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.356 11.011 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.415 12.775 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.842 14.521 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.880 12.765 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.356 13.615 0.753 1.00 0.00 H new ATOM 1035 N PHE A 63 7.666 9.428 -3.326 1.00 0.00 N ATOM 1036 CA PHE A 63 7.946 8.086 -3.832 1.00 0.00 C ATOM 1037 C PHE A 63 7.670 8.005 -5.345 1.00 0.00 C ATOM 1038 O PHE A 63 8.345 7.277 -6.071 1.00 0.00 O ATOM 1039 CB PHE A 63 7.056 7.091 -3.050 1.00 0.00 C ATOM 1040 CG PHE A 63 7.699 5.773 -2.650 1.00 0.00 C ATOM 1041 CD1 PHE A 63 8.314 4.953 -3.613 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.650 5.343 -1.308 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.882 3.725 -3.241 1.00 0.00 C ATOM 1044 CE2 PHE A 63 8.224 4.114 -0.936 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.836 3.302 -1.903 1.00 0.00 C ATOM 0 H PHE A 63 6.792 9.476 -2.803 1.00 0.00 H new ATOM 0 HA PHE A 63 8.998 7.839 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.704 7.587 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.177 6.871 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.349 5.270 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.170 5.960 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.356 3.103 -3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.194 3.795 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.270 2.355 -1.619 1.00 0.00 H new ATOM 1055 N ASP A 64 6.661 8.735 -5.813 1.00 0.00 N ATOM 1056 CA ASP A 64 6.203 8.858 -7.190 1.00 0.00 C ATOM 1057 C ASP A 64 7.234 9.657 -7.979 1.00 0.00 C ATOM 1058 O ASP A 64 7.653 9.247 -9.060 1.00 0.00 O ATOM 1059 CB ASP A 64 4.843 9.581 -7.192 1.00 0.00 C ATOM 1060 CG ASP A 64 4.200 9.635 -8.577 1.00 0.00 C ATOM 1061 OD1 ASP A 64 3.747 8.570 -9.061 1.00 0.00 O ATOM 1062 OD2 ASP A 64 4.051 10.753 -9.125 1.00 0.00 O ATOM 0 H ASP A 64 6.096 9.304 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 64 6.087 7.877 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.167 9.075 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.977 10.597 -6.819 1.00 0.00 H new ATOM 1067 N ARG A 65 7.665 10.790 -7.414 1.00 0.00 N ATOM 1068 CA ARG A 65 8.618 11.726 -7.998 1.00 0.00 C ATOM 1069 C ARG A 65 9.975 11.045 -8.143 1.00 0.00 C ATOM 1070 O ARG A 65 10.547 11.044 -9.234 1.00 0.00 O ATOM 1071 CB ARG A 65 8.673 12.973 -7.100 1.00 0.00 C ATOM 1072 CG ARG A 65 9.928 13.849 -7.156 1.00 0.00 C ATOM 1073 CD ARG A 65 10.141 14.422 -8.558 1.00 0.00 C ATOM 1074 NE ARG A 65 10.748 15.756 -8.508 1.00 0.00 N ATOM 1075 CZ ARG A 65 11.211 16.440 -9.556 1.00 0.00 C ATOM 1076 NH1 ARG A 65 11.398 15.833 -10.725 1.00 0.00 N ATOM 1077 NH2 ARG A 65 11.465 17.736 -9.429 1.00 0.00 N ATOM 0 H ARG A 65 7.341 11.089 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 65 8.313 12.038 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.817 13.601 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.540 12.647 -6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.838 14.664 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.798 13.261 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.780 13.752 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.185 14.476 -9.079 1.00 0.00 H new ATOM 0 HE ARG A 65 10.823 16.200 -7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.187 14.840 -10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.752 16.361 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.306 18.202 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.819 18.267 -10.225 1.00 0.00 H new ATOM 1091 N TYR A 66 10.521 10.523 -7.044 1.00 0.00 N ATOM 1092 CA TYR A 66 11.898 10.044 -7.011 1.00 0.00 C ATOM 1093 C TYR A 66 11.992 8.536 -7.190 1.00 0.00 C ATOM 1094 O TYR A 66 12.701 8.077 -8.085 1.00 0.00 O ATOM 1095 CB TYR A 66 12.563 10.429 -5.692 1.00 0.00 C ATOM 1096 CG TYR A 66 12.769 11.914 -5.489 1.00 0.00 C ATOM 1097 CD1 TYR A 66 13.632 12.633 -6.338 1.00 0.00 C ATOM 1098 CD2 TYR A 66 12.118 12.576 -4.436 1.00 0.00 C ATOM 1099 CE1 TYR A 66 13.866 14.001 -6.115 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.357 13.937 -4.201 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.246 14.653 -5.030 1.00 0.00 C ATOM 1102 OH TYR A 66 13.525 15.958 -4.770 1.00 0.00 O ATOM 0 H TYR A 66 10.023 10.422 -6.159 1.00 0.00 H new ATOM 0 HA TYR A 66 12.414 10.518 -7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.956 10.046 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.531 9.932 -5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.116 12.132 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.430 12.034 -3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.520 14.552 -6.774 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.860 14.438 -3.384 1.00 0.00 H new ATOM 0 HH TYR A 66 13.012 16.253 -3.989 1.00 0.00 H new ATOM 1112 N GLY A 67 11.347 7.771 -6.311 1.00 0.00 N ATOM 1113 CA GLY A 67 11.657 6.371 -6.052 1.00 0.00 C ATOM 1114 C GLY A 67 12.018 6.210 -4.576 1.00 0.00 C ATOM 1115 O GLY A 67 11.798 7.135 -3.780 1.00 0.00 O ATOM 0 H GLY A 67 10.573 8.120 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.802 5.743 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.486 6.046 -6.681 1.00 0.00 H new ATOM 1119 N GLU A 68 12.570 5.055 -4.187 1.00 0.00 N ATOM 1120 CA GLU A 68 13.027 4.857 -2.815 1.00 0.00 C ATOM 1121 C GLU A 68 14.158 5.819 -2.434 1.00 0.00 C ATOM 1122 O GLU A 68 14.299 6.128 -1.254 1.00 0.00 O ATOM 1123 CB GLU A 68 13.393 3.394 -2.501 1.00 0.00 C ATOM 1124 CG GLU A 68 14.702 2.832 -3.093 1.00 0.00 C ATOM 1125 CD GLU A 68 14.556 1.947 -4.334 1.00 0.00 C ATOM 1126 OE1 GLU A 68 13.437 1.762 -4.870 1.00 0.00 O ATOM 1127 OE2 GLU A 68 15.593 1.415 -4.800 1.00 0.00 O ATOM 0 H GLU A 68 12.709 4.252 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 68 12.171 5.098 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.444 3.288 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.573 2.763 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.352 3.670 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.209 2.256 -2.319 1.00 0.00 H new ATOM 1134 N GLU A 69 14.922 6.349 -3.402 1.00 0.00 N ATOM 1135 CA GLU A 69 15.947 7.348 -3.105 1.00 0.00 C ATOM 1136 C GLU A 69 15.339 8.633 -2.523 1.00 0.00 C ATOM 1137 O GLU A 69 16.028 9.375 -1.821 1.00 0.00 O ATOM 1138 CB GLU A 69 16.823 7.651 -4.335 1.00 0.00 C ATOM 1139 CG GLU A 69 16.115 8.472 -5.429 1.00 0.00 C ATOM 1140 CD GLU A 69 17.088 9.037 -6.461 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.034 9.770 -6.088 1.00 0.00 O ATOM 1142 OE2 GLU A 69 16.864 8.871 -7.681 1.00 0.00 O ATOM 0 H GLU A 69 14.846 6.101 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 69 16.595 6.919 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.712 8.191 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.162 6.709 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.382 7.843 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.566 9.292 -4.965 1.00 0.00 H new ATOM 1149 N GLY A 70 14.059 8.900 -2.803 1.00 0.00 N ATOM 1150 CA GLY A 70 13.329 10.019 -2.243 1.00 0.00 C ATOM 1151 C GLY A 70 12.846 9.649 -0.858 1.00 0.00 C ATOM 1152 O GLY A 70 13.241 10.259 0.136 1.00 0.00 O ATOM 0 H GLY A 70 13.501 8.329 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.969 10.900 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.483 10.274 -2.881 1.00 0.00 H new ATOM 1156 N LEU A 71 11.964 8.648 -0.796 1.00 0.00 N ATOM 1157 CA LEU A 71 11.300 8.273 0.444 1.00 0.00 C ATOM 1158 C LEU A 71 12.168 7.253 1.190 1.00 0.00 C ATOM 1159 O LEU A 71 11.812 6.079 1.348 1.00 0.00 O ATOM 1160 CB LEU A 71 9.843 7.864 0.149 1.00 0.00 C ATOM 1161 CG LEU A 71 8.863 7.880 1.344 1.00 0.00 C ATOM 1162 CD1 LEU A 71 8.852 6.579 2.142 1.00 0.00 C ATOM 1163 CD2 LEU A 71 9.070 9.039 2.326 1.00 0.00 C ATOM 0 H LEU A 71 11.695 8.082 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 71 11.204 9.110 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.452 8.529 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.850 6.859 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 71 7.900 8.015 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.142 6.663 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.558 5.755 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.848 6.388 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.338 8.969 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.075 8.987 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.944 9.987 1.802 1.00 0.00 H new ATOM 1175 N LYS A 72 13.331 7.717 1.652 1.00 0.00 N ATOM 1176 CA LYS A 72 14.333 6.929 2.370 1.00 0.00 C ATOM 1177 C LYS A 72 14.383 7.293 3.858 1.00 0.00 C ATOM 1178 O LYS A 72 15.172 6.712 4.606 1.00 0.00 O ATOM 1179 CB LYS A 72 15.698 7.059 1.668 1.00 0.00 C ATOM 1180 CG LYS A 72 16.390 5.686 1.589 1.00 0.00 C ATOM 1181 CD LYS A 72 17.616 5.703 0.673 1.00 0.00 C ATOM 1182 CE LYS A 72 18.793 6.430 1.327 1.00 0.00 C ATOM 1183 NZ LYS A 72 19.770 6.883 0.321 1.00 0.00 N ATOM 0 H LYS A 72 13.611 8.690 1.531 1.00 0.00 H new ATOM 0 HA LYS A 72 14.047 5.878 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.562 7.464 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.329 7.761 2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.692 5.376 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.679 4.944 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.907 4.680 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.362 6.192 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.425 7.287 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.283 5.766 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.556 7.372 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.138 6.062 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.307 7.536 -0.343 1.00 0.00 H new ATOM 1197 N GLY A 73 13.528 8.206 4.311 1.00 0.00 N ATOM 1198 CA GLY A 73 13.481 8.720 5.667 1.00 0.00 C ATOM 1199 C GLY A 73 14.144 10.089 5.714 1.00 0.00 C ATOM 1200 O GLY A 73 15.003 10.407 4.889 1.00 0.00 O ATOM 0 H GLY A 73 12.818 8.624 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.447 8.793 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.989 8.034 6.345 1.00 0.00 H new ATOM 1204 N SER A 74 13.768 10.888 6.711 1.00 0.00 N ATOM 1205 CA SER A 74 14.126 12.294 6.844 1.00 0.00 C ATOM 1206 C SER A 74 13.728 13.137 5.618 1.00 0.00 C ATOM 1207 O SER A 74 12.987 12.681 4.732 1.00 0.00 O ATOM 1208 CB SER A 74 15.586 12.423 7.316 1.00 0.00 C ATOM 1209 OG SER A 74 16.539 12.133 6.311 1.00 0.00 O ATOM 0 H SER A 74 13.182 10.558 7.478 1.00 0.00 H new ATOM 0 HA SER A 74 13.524 12.747 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.752 13.437 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.746 11.752 8.160 1.00 0.00 H new ATOM 0 HG SER A 74 16.118 11.599 5.605 1.00 0.00 H new ATOM 1215 N GLY A 75 14.164 14.394 5.597 1.00 0.00 N ATOM 1216 CA GLY A 75 13.927 15.353 4.534 1.00 0.00 C ATOM 1217 C GLY A 75 12.569 16.026 4.669 1.00 0.00 C ATOM 1218 O GLY A 75 11.778 15.707 5.564 1.00 0.00 O ATOM 0 H GLY A 75 14.718 14.785 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.711 16.111 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.988 14.848 3.570 1.00 0.00 H new ATOM 1222 N CYS A 76 12.322 16.987 3.785 1.00 0.00 N ATOM 1223 CA CYS A 76 11.165 17.865 3.804 1.00 0.00 C ATOM 1224 C CYS A 76 10.704 18.065 2.374 1.00 0.00 C ATOM 1225 O CYS A 76 9.515 18.374 2.170 1.00 0.00 O ATOM 1226 CB CYS A 76 11.542 19.215 4.428 1.00 0.00 C ATOM 1227 SG CYS A 76 12.348 19.002 6.040 1.00 0.00 S ATOM 0 H CYS A 76 12.950 17.181 3.005 1.00 0.00 H new ATOM 0 HA CYS A 76 10.366 17.424 4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.209 19.754 3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 76 10.646 19.825 4.546 1.00 0.00 H new ATOM 0 HG CYS A 76 12.651 20.167 6.531 1.00 0.00 H new TER 1233 CYS A 76