USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -111:sc= 0.297 USER MOD Set 1.2: A 36 CYS SG : rot 76:sc= -0.676 USER MOD Set 1.3: A 56 CYS SG : rot -140:sc= 0.153 USER MOD Set 2.1: A 6 CYS SG : rot -118:sc= 2.19 USER MOD Set 2.2: A 9 CYS SG : rot -160:sc= -2.61! USER MOD Set 2.3: A 27 HIS : no HE2:sc= -2.37 K(o=-3.7,f=-5.4!) USER MOD Set 2.4: A 30 CYS SG : rot -164:sc= -0.867! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.934 X(o=-0.93,f=-0.44) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 TYR OH : rot -11:sc= 1.2 USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.144 (180deg=-0.607) USER MOD Single : A 24 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 111:sc= 0.905 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 1.71 (180deg=1.54) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 1.13 K(o=1.1,f=-0.45) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -16.012 -7.368 -7.482 1.00 0.00 N ATOM 22 CA LEU A 3 -14.859 -7.542 -6.609 1.00 0.00 C ATOM 23 C LEU A 3 -13.580 -7.074 -7.288 1.00 0.00 C ATOM 24 O LEU A 3 -13.537 -6.879 -8.504 1.00 0.00 O ATOM 25 CB LEU A 3 -14.709 -9.002 -6.179 1.00 0.00 C ATOM 26 CG LEU A 3 -15.960 -9.638 -5.573 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.003 -11.126 -5.882 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.000 -9.399 -4.071 1.00 0.00 C ATOM 0 HA LEU A 3 -15.029 -6.930 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.407 -9.589 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.900 -9.068 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.839 -9.172 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.900 -11.563 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.019 -11.273 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.121 -11.610 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.896 -9.858 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.117 -9.841 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.015 -8.327 -3.873 1.00 0.00 H new ATOM 40 N LEU A 4 -12.536 -6.932 -6.494 1.00 0.00 N ATOM 41 CA LEU A 4 -11.237 -6.496 -6.985 1.00 0.00 C ATOM 42 C LEU A 4 -10.188 -7.553 -6.685 1.00 0.00 C ATOM 43 O LEU A 4 -10.416 -8.447 -5.875 1.00 0.00 O ATOM 44 CB LEU A 4 -10.848 -5.169 -6.335 1.00 0.00 C ATOM 45 CG LEU A 4 -11.933 -4.095 -6.360 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.508 -3.889 -4.966 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.375 -2.794 -6.913 1.00 0.00 C ATOM 0 H LEU A 4 -12.561 -7.115 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.296 -6.353 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.569 -5.358 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.962 -4.781 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.739 -4.427 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.280 -3.120 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.942 -4.823 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.714 -3.576 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.160 -2.038 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.553 -2.454 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.012 -2.956 -7.928 1.00 0.00 H new ATOM 59 N THR A 5 -9.041 -7.450 -7.327 1.00 0.00 N ATOM 60 CA THR A 5 -7.967 -8.404 -7.108 1.00 0.00 C ATOM 61 C THR A 5 -6.679 -7.687 -6.733 1.00 0.00 C ATOM 62 O THR A 5 -6.302 -6.701 -7.365 1.00 0.00 O ATOM 63 CB THR A 5 -7.720 -9.267 -8.357 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.316 -8.648 -9.507 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.293 -10.663 -8.174 1.00 0.00 C ATOM 0 H THR A 5 -8.827 -6.717 -8.004 1.00 0.00 H new ATOM 0 HA THR A 5 -8.274 -9.053 -6.288 1.00 0.00 H new ATOM 0 HB THR A 5 -6.643 -9.350 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.153 -9.203 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.106 -11.254 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.818 -11.142 -7.318 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.367 -10.596 -8.002 1.00 0.00 H new ATOM 73 N CYS A 6 -6.034 -8.165 -5.684 1.00 0.00 N ATOM 74 CA CYS A 6 -4.798 -7.576 -5.215 1.00 0.00 C ATOM 75 C CYS A 6 -3.623 -8.160 -5.985 1.00 0.00 C ATOM 76 O CYS A 6 -3.689 -9.291 -6.463 1.00 0.00 O ATOM 77 CB CYS A 6 -4.669 -7.814 -3.705 1.00 0.00 C ATOM 78 SG CYS A 6 -3.146 -8.646 -3.157 1.00 0.00 S ATOM 0 H CYS A 6 -6.351 -8.966 -5.138 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.801 -6.500 -5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.736 -6.851 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.522 -8.407 -3.376 1.00 0.00 H new ATOM 0 HG CYS A 6 -3.449 -9.775 -2.587 1.00 0.00 H new ATOM 83 N GLY A 7 -2.586 -7.362 -6.170 1.00 0.00 N ATOM 84 CA GLY A 7 -1.439 -7.807 -6.933 1.00 0.00 C ATOM 85 C GLY A 7 -0.369 -8.428 -6.057 1.00 0.00 C ATOM 86 O GLY A 7 0.701 -8.804 -6.539 1.00 0.00 O ATOM 0 H GLY A 7 -2.517 -6.412 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.762 -8.534 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.016 -6.961 -7.475 1.00 0.00 H new ATOM 90 N GLY A 8 -0.649 -8.517 -4.764 1.00 0.00 N ATOM 91 CA GLY A 8 0.308 -9.073 -3.833 1.00 0.00 C ATOM 92 C GLY A 8 0.105 -10.555 -3.631 1.00 0.00 C ATOM 93 O GLY A 8 1.046 -11.341 -3.758 1.00 0.00 O ATOM 0 H GLY A 8 -1.527 -8.212 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.318 -8.892 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.221 -8.561 -2.875 1.00 0.00 H new ATOM 97 N CYS A 9 -1.131 -10.943 -3.355 1.00 0.00 N ATOM 98 CA CYS A 9 -1.454 -12.345 -3.166 1.00 0.00 C ATOM 99 C CYS A 9 -2.377 -12.838 -4.278 1.00 0.00 C ATOM 100 O CYS A 9 -2.375 -14.024 -4.619 1.00 0.00 O ATOM 101 CB CYS A 9 -2.088 -12.564 -1.789 1.00 0.00 C ATOM 102 SG CYS A 9 -3.786 -11.930 -1.620 1.00 0.00 S ATOM 0 H CYS A 9 -1.923 -10.308 -3.258 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.532 -12.925 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.091 -13.632 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.461 -12.087 -1.036 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.069 -11.778 -0.360 1.00 0.00 H new ATOM 107 N GLN A 10 -3.119 -11.898 -4.871 1.00 0.00 N ATOM 108 CA GLN A 10 -4.010 -12.181 -5.996 1.00 0.00 C ATOM 109 C GLN A 10 -5.122 -13.160 -5.618 1.00 0.00 C ATOM 110 O GLN A 10 -5.649 -13.872 -6.472 1.00 0.00 O ATOM 111 CB GLN A 10 -3.217 -12.705 -7.198 1.00 0.00 C ATOM 112 CG GLN A 10 -3.466 -11.916 -8.475 1.00 0.00 C ATOM 113 CD GLN A 10 -2.201 -11.298 -9.043 1.00 0.00 C ATOM 114 OE1 GLN A 10 -1.153 -11.944 -9.111 1.00 0.00 O ATOM 115 NE2 GLN A 10 -2.289 -10.047 -9.460 1.00 0.00 N ATOM 0 H GLN A 10 -3.118 -10.919 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.486 -11.240 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.153 -12.676 -6.963 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.477 -13.750 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.910 -12.574 -9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.191 -11.127 -8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.174 -9.546 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.471 -9.582 -9.855 1.00 0.00 H new ATOM 124 N GLN A 11 -5.478 -13.194 -4.337 1.00 0.00 N ATOM 125 CA GLN A 11 -6.521 -14.096 -3.859 1.00 0.00 C ATOM 126 C GLN A 11 -7.894 -13.421 -3.879 1.00 0.00 C ATOM 127 O GLN A 11 -8.857 -13.945 -3.315 1.00 0.00 O ATOM 128 CB GLN A 11 -6.190 -14.594 -2.445 1.00 0.00 C ATOM 129 CG GLN A 11 -6.557 -13.615 -1.339 1.00 0.00 C ATOM 130 CD GLN A 11 -7.303 -14.277 -0.198 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.507 -14.509 -0.279 1.00 0.00 O ATOM 132 NE2 GLN A 11 -6.596 -14.582 0.874 1.00 0.00 N ATOM 0 H GLN A 11 -5.061 -12.609 -3.613 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.559 -14.951 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.713 -15.534 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.123 -14.807 -2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.649 -13.151 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.171 -12.816 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.598 -14.373 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.048 -15.026 1.673 1.00 0.00 H new ATOM 141 N ASN A 12 -7.960 -12.257 -4.536 1.00 0.00 N ATOM 142 CA ASN A 12 -9.194 -11.468 -4.654 1.00 0.00 C ATOM 143 C ASN A 12 -9.501 -10.730 -3.352 1.00 0.00 C ATOM 144 O ASN A 12 -9.416 -11.298 -2.263 1.00 0.00 O ATOM 145 CB ASN A 12 -10.389 -12.345 -5.068 1.00 0.00 C ATOM 146 CG ASN A 12 -11.674 -11.553 -5.237 1.00 0.00 C ATOM 147 OD1 ASN A 12 -11.904 -10.939 -6.278 1.00 0.00 O ATOM 148 ND2 ASN A 12 -12.519 -11.565 -4.217 1.00 0.00 N ATOM 0 H ASN A 12 -7.158 -11.834 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.031 -10.730 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.154 -12.851 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.542 -13.120 -4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.399 -11.052 -4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.290 -12.087 -3.371 1.00 0.00 H new ATOM 155 N ILE A 13 -9.843 -9.459 -3.472 1.00 0.00 N ATOM 156 CA ILE A 13 -10.166 -8.640 -2.317 1.00 0.00 C ATOM 157 C ILE A 13 -11.646 -8.749 -1.973 1.00 0.00 C ATOM 158 O ILE A 13 -12.505 -8.215 -2.680 1.00 0.00 O ATOM 159 CB ILE A 13 -9.797 -7.164 -2.552 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.403 -7.061 -3.175 1.00 0.00 C ATOM 161 CG2 ILE A 13 -9.856 -6.383 -1.249 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.224 -5.857 -4.069 1.00 0.00 C ATOM 0 H ILE A 13 -9.904 -8.969 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.576 -9.014 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.521 -6.731 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.661 -7.024 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.206 -7.964 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.592 -5.342 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.865 -6.433 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.153 -6.813 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.212 -5.852 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.942 -5.902 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.389 -4.947 -3.491 1.00 0.00 H new ATOM 174 N GLY A 14 -11.930 -9.444 -0.883 1.00 0.00 N ATOM 175 CA GLY A 14 -13.295 -9.619 -0.438 1.00 0.00 C ATOM 176 C GLY A 14 -13.557 -8.884 0.854 1.00 0.00 C ATOM 177 O GLY A 14 -14.535 -9.157 1.553 1.00 0.00 O ATOM 0 H GLY A 14 -11.230 -9.894 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.978 -9.259 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.500 -10.681 -0.301 1.00 0.00 H new ATOM 181 N ASP A 15 -12.675 -7.949 1.169 1.00 0.00 N ATOM 182 CA ASP A 15 -12.810 -7.138 2.374 1.00 0.00 C ATOM 183 C ASP A 15 -13.854 -6.054 2.162 1.00 0.00 C ATOM 184 O ASP A 15 -14.300 -5.819 1.038 1.00 0.00 O ATOM 185 CB ASP A 15 -11.479 -6.477 2.753 1.00 0.00 C ATOM 186 CG ASP A 15 -10.402 -7.472 3.130 1.00 0.00 C ATOM 187 OD1 ASP A 15 -10.408 -7.955 4.278 1.00 0.00 O ATOM 188 OD2 ASP A 15 -9.527 -7.756 2.287 1.00 0.00 O ATOM 0 H ASP A 15 -11.853 -7.730 0.606 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.118 -7.800 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.129 -5.874 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.644 -5.797 3.589 1.00 0.00 H new ATOM 193 N ARG A 16 -14.149 -5.318 3.218 1.00 0.00 N ATOM 194 CA ARG A 16 -15.060 -4.189 3.119 1.00 0.00 C ATOM 195 C ARG A 16 -14.285 -2.916 2.792 1.00 0.00 C ATOM 196 O ARG A 16 -14.776 -2.040 2.075 1.00 0.00 O ATOM 197 CB ARG A 16 -15.861 -4.018 4.417 1.00 0.00 C ATOM 198 CG ARG A 16 -15.105 -3.304 5.524 1.00 0.00 C ATOM 199 CD ARG A 16 -16.002 -2.964 6.701 1.00 0.00 C ATOM 200 NE ARG A 16 -15.266 -3.022 7.962 1.00 0.00 N ATOM 201 CZ ARG A 16 -15.812 -3.320 9.140 1.00 0.00 C ATOM 202 NH1 ARG A 16 -17.124 -3.492 9.250 1.00 0.00 N ATOM 203 NH2 ARG A 16 -15.038 -3.416 10.214 1.00 0.00 N ATOM 0 H ARG A 16 -13.773 -5.480 4.152 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.766 -4.384 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.773 -3.462 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -16.165 -5.001 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.283 -3.933 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.663 -2.389 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.420 -1.966 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.841 -3.659 6.735 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.266 -2.821 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.722 -3.396 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.534 -3.720 10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.033 -3.262 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.448 -3.644 11.120 1.00 0.00 H new ATOM 217 N TYR A 17 -13.041 -2.856 3.257 1.00 0.00 N ATOM 218 CA TYR A 17 -12.174 -1.726 2.970 1.00 0.00 C ATOM 219 C TYR A 17 -10.809 -2.241 2.541 1.00 0.00 C ATOM 220 O TYR A 17 -10.342 -3.266 3.045 1.00 0.00 O ATOM 221 CB TYR A 17 -12.034 -0.822 4.201 1.00 0.00 C ATOM 222 CG TYR A 17 -12.137 0.641 3.871 1.00 0.00 C ATOM 223 CD1 TYR A 17 -13.340 1.168 3.430 1.00 0.00 C ATOM 224 CD2 TYR A 17 -11.048 1.493 3.985 1.00 0.00 C ATOM 225 CE1 TYR A 17 -13.457 2.499 3.108 1.00 0.00 C ATOM 226 CE2 TYR A 17 -11.161 2.832 3.666 1.00 0.00 C ATOM 227 CZ TYR A 17 -12.369 3.327 3.226 1.00 0.00 C ATOM 228 OH TYR A 17 -12.492 4.655 2.898 1.00 0.00 O ATOM 0 H TYR A 17 -12.613 -3.580 3.835 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.613 -1.136 2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.807 -1.081 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.073 -1.014 4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.200 0.522 3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.100 1.104 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.402 2.892 2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.308 3.487 3.761 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.347 4.801 2.441 1.00 0.00 H new ATOM 238 N PHE A 18 -10.202 -1.582 1.569 1.00 0.00 N ATOM 239 CA PHE A 18 -8.926 -2.035 1.042 1.00 0.00 C ATOM 240 C PHE A 18 -8.075 -0.866 0.561 1.00 0.00 C ATOM 241 O PHE A 18 -8.456 0.298 0.704 1.00 0.00 O ATOM 242 CB PHE A 18 -9.145 -3.052 -0.088 1.00 0.00 C ATOM 243 CG PHE A 18 -9.559 -2.452 -1.404 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.796 -1.839 -1.558 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.710 -2.518 -2.496 1.00 0.00 C ATOM 246 CE1 PHE A 18 -11.169 -1.306 -2.774 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.077 -1.982 -3.713 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.308 -1.376 -3.852 1.00 0.00 C ATOM 0 H PHE A 18 -10.569 -0.737 1.131 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.383 -2.524 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.223 -3.615 -0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.907 -3.765 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.472 -1.779 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.747 -2.996 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.134 -0.834 -2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.402 -2.037 -4.554 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.599 -0.956 -4.804 1.00 0.00 H new ATOM 258 N LEU A 19 -6.910 -1.185 0.022 1.00 0.00 N ATOM 259 CA LEU A 19 -5.980 -0.185 -0.448 1.00 0.00 C ATOM 260 C LEU A 19 -5.609 -0.442 -1.901 1.00 0.00 C ATOM 261 O LEU A 19 -5.458 -1.584 -2.319 1.00 0.00 O ATOM 262 CB LEU A 19 -4.727 -0.209 0.416 1.00 0.00 C ATOM 263 CG LEU A 19 -4.859 0.480 1.772 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.759 0.007 2.710 1.00 0.00 C ATOM 265 CD2 LEU A 19 -4.815 1.989 1.612 1.00 0.00 C ATOM 0 H LEU A 19 -6.587 -2.145 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.453 0.795 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.438 -1.247 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.915 0.264 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.823 0.214 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.863 0.505 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.838 -1.071 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.786 0.248 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.911 2.461 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.867 2.279 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.636 2.311 0.972 1.00 0.00 H new ATOM 277 N LYS A 20 -5.405 0.627 -2.644 1.00 0.00 N ATOM 278 CA LYS A 20 -4.979 0.536 -4.032 1.00 0.00 C ATOM 279 C LYS A 20 -4.394 1.884 -4.428 1.00 0.00 C ATOM 280 O LYS A 20 -4.790 2.903 -3.859 1.00 0.00 O ATOM 281 CB LYS A 20 -6.159 0.098 -4.929 1.00 0.00 C ATOM 282 CG LYS A 20 -6.604 1.098 -5.987 1.00 0.00 C ATOM 283 CD LYS A 20 -7.683 2.033 -5.460 1.00 0.00 C ATOM 284 CE LYS A 20 -8.344 2.820 -6.583 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.926 1.938 -7.631 1.00 0.00 N ATOM 0 H LYS A 20 -5.528 1.582 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.210 -0.225 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.883 -0.830 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.012 -0.126 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.746 1.683 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.981 0.562 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.438 1.454 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.245 2.724 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.129 3.451 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.609 3.484 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.636 2.468 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.172 1.613 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.377 1.116 -7.181 1.00 0.00 H new ATOM 299 N ALA A 21 -3.332 1.881 -5.234 1.00 0.00 N ATOM 300 CA ALA A 21 -2.608 3.123 -5.497 1.00 0.00 C ATOM 301 C ALA A 21 -1.614 2.996 -6.642 1.00 0.00 C ATOM 302 O ALA A 21 -1.611 3.826 -7.548 1.00 0.00 O ATOM 303 CB ALA A 21 -1.877 3.574 -4.242 1.00 0.00 C ATOM 0 H ALA A 21 -2.962 1.055 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.351 3.864 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.340 4.500 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.598 3.742 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.169 2.804 -3.937 1.00 0.00 H new ATOM 309 N ILE A 22 -0.672 2.058 -6.499 1.00 0.00 N ATOM 310 CA ILE A 22 0.447 1.919 -7.441 1.00 0.00 C ATOM 311 C ILE A 22 -0.015 2.018 -8.890 1.00 0.00 C ATOM 312 O ILE A 22 0.489 2.836 -9.656 1.00 0.00 O ATOM 313 CB ILE A 22 1.190 0.577 -7.258 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.328 0.225 -5.773 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.556 0.643 -7.921 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.417 -0.792 -5.473 1.00 0.00 C ATOM 0 H ILE A 22 -0.661 1.380 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 22 1.125 2.743 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 22 0.605 -0.209 -7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.534 1.137 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.375 -0.163 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.072 -0.308 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.434 0.842 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.143 1.442 -7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.449 -0.986 -4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.204 -1.720 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.380 -0.401 -5.800 1.00 0.00 H new ATOM 328 N ASP A 23 -1.021 1.227 -9.221 1.00 0.00 N ATOM 329 CA ASP A 23 -1.610 1.214 -10.561 1.00 0.00 C ATOM 330 C ASP A 23 -2.693 0.156 -10.624 1.00 0.00 C ATOM 331 O ASP A 23 -3.459 0.076 -11.581 1.00 0.00 O ATOM 332 CB ASP A 23 -0.550 0.919 -11.630 1.00 0.00 C ATOM 333 CG ASP A 23 -0.871 1.566 -12.963 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.599 2.580 -12.985 1.00 0.00 O ATOM 335 OD2 ASP A 23 -0.381 1.070 -13.999 1.00 0.00 O ATOM 0 H ASP A 23 -1.457 0.573 -8.572 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.033 2.199 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.420 1.274 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.465 -0.159 -11.765 1.00 0.00 H new ATOM 340 N GLN A 24 -2.745 -0.651 -9.576 1.00 0.00 N ATOM 341 CA GLN A 24 -3.714 -1.724 -9.471 1.00 0.00 C ATOM 342 C GLN A 24 -4.285 -1.755 -8.062 1.00 0.00 C ATOM 343 O GLN A 24 -4.038 -0.838 -7.271 1.00 0.00 O ATOM 344 CB GLN A 24 -3.064 -3.069 -9.819 1.00 0.00 C ATOM 345 CG GLN A 24 -1.658 -3.233 -9.264 1.00 0.00 C ATOM 346 CD GLN A 24 -0.587 -2.835 -10.269 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.860 -2.701 -11.461 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.633 -2.624 -9.793 1.00 0.00 N ATOM 0 H GLN A 24 -2.116 -0.579 -8.776 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.523 -1.547 -10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.691 -3.875 -9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.031 -3.176 -10.903 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.552 -2.626 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.506 -4.271 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.820 -2.746 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.384 -2.340 -10.422 1.00 0.00 H new ATOM 357 N TYR A 25 -4.993 -2.821 -7.732 1.00 0.00 N ATOM 358 CA TYR A 25 -5.592 -2.952 -6.410 1.00 0.00 C ATOM 359 C TYR A 25 -4.753 -3.855 -5.526 1.00 0.00 C ATOM 360 O TYR A 25 -3.983 -4.683 -6.021 1.00 0.00 O ATOM 361 CB TYR A 25 -7.021 -3.494 -6.497 1.00 0.00 C ATOM 362 CG TYR A 25 -7.783 -3.045 -7.723 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.830 -1.704 -8.095 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.455 -3.971 -8.511 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.526 -1.307 -9.223 1.00 0.00 C ATOM 366 CE2 TYR A 25 -9.151 -3.579 -9.636 1.00 0.00 C ATOM 367 CZ TYR A 25 -9.183 -2.250 -9.990 1.00 0.00 C ATOM 368 OH TYR A 25 -9.877 -1.862 -11.114 1.00 0.00 O ATOM 0 H TYR A 25 -5.168 -3.608 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.628 -1.956 -5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.985 -4.583 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.570 -3.183 -5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.317 -0.966 -7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.432 -5.016 -8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.556 -0.264 -9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.669 -4.313 -10.236 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.279 -2.649 -11.538 1.00 0.00 H new ATOM 378 N TRP A 26 -4.855 -3.642 -4.223 1.00 0.00 N ATOM 379 CA TRP A 26 -4.069 -4.386 -3.258 1.00 0.00 C ATOM 380 C TRP A 26 -4.912 -4.725 -2.037 1.00 0.00 C ATOM 381 O TRP A 26 -6.107 -4.427 -1.987 1.00 0.00 O ATOM 382 CB TRP A 26 -2.838 -3.573 -2.831 1.00 0.00 C ATOM 383 CG TRP A 26 -1.963 -3.163 -3.979 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.053 -2.014 -4.713 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.876 -3.908 -4.527 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.089 -2.006 -5.691 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.351 -3.156 -5.595 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.291 -5.136 -4.219 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.723 -3.598 -6.359 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.779 -5.571 -4.977 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.278 -4.803 -6.034 1.00 0.00 C ATOM 0 H TRP A 26 -5.482 -2.952 -3.809 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.736 -5.312 -3.727 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.168 -2.680 -2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.249 -4.163 -2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.775 -1.228 -4.548 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.946 -1.265 -6.377 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.667 -5.736 -3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.105 -3.010 -7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.239 -6.521 -4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.119 -5.170 -6.604 1.00 0.00 H new ATOM 402 N HIS A 27 -4.267 -5.278 -1.031 1.00 0.00 N ATOM 403 CA HIS A 27 -4.928 -5.586 0.223 1.00 0.00 C ATOM 404 C HIS A 27 -4.407 -4.664 1.311 1.00 0.00 C ATOM 405 O HIS A 27 -3.386 -3.998 1.123 1.00 0.00 O ATOM 406 CB HIS A 27 -4.678 -7.040 0.614 1.00 0.00 C ATOM 407 CG HIS A 27 -5.738 -7.988 0.160 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.444 -9.108 -0.571 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.073 -7.953 0.382 1.00 0.00 C ATOM 410 CE1 HIS A 27 -6.588 -9.731 -0.777 1.00 0.00 C ATOM 411 NE2 HIS A 27 -7.612 -9.069 -0.216 1.00 0.00 N ATOM 0 H HIS A 27 -3.278 -5.526 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.001 -5.438 0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.721 -7.357 0.199 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.591 -7.103 1.699 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.522 -9.402 -0.893 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.613 -7.192 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.688 -10.655 -1.327 1.00 0.00 H new ATOM 419 N GLU A 28 -5.096 -4.639 2.445 1.00 0.00 N ATOM 420 CA GLU A 28 -4.710 -3.801 3.567 1.00 0.00 C ATOM 421 C GLU A 28 -3.300 -4.140 4.052 1.00 0.00 C ATOM 422 O GLU A 28 -2.483 -3.250 4.284 1.00 0.00 O ATOM 423 CB GLU A 28 -5.711 -3.983 4.708 1.00 0.00 C ATOM 424 CG GLU A 28 -6.802 -2.926 4.734 1.00 0.00 C ATOM 425 CD GLU A 28 -6.654 -1.957 5.888 1.00 0.00 C ATOM 426 OE1 GLU A 28 -5.545 -1.426 6.091 1.00 0.00 O ATOM 427 OE2 GLU A 28 -7.655 -1.697 6.587 1.00 0.00 O ATOM 0 H GLU A 28 -5.934 -5.197 2.610 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.712 -2.762 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.172 -4.967 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.175 -3.964 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.786 -2.371 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.774 -3.415 4.799 1.00 0.00 H new ATOM 434 N ASP A 29 -3.030 -5.429 4.236 1.00 0.00 N ATOM 435 CA ASP A 29 -1.735 -5.863 4.761 1.00 0.00 C ATOM 436 C ASP A 29 -0.838 -6.420 3.664 1.00 0.00 C ATOM 437 O ASP A 29 0.327 -6.739 3.900 1.00 0.00 O ATOM 438 CB ASP A 29 -1.924 -6.916 5.855 1.00 0.00 C ATOM 439 CG ASP A 29 -1.270 -6.525 7.167 1.00 0.00 C ATOM 440 OD1 ASP A 29 -0.057 -6.229 7.178 1.00 0.00 O ATOM 441 OD2 ASP A 29 -1.971 -6.519 8.203 1.00 0.00 O ATOM 0 H ASP A 29 -3.682 -6.186 4.032 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.248 -4.984 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.990 -7.076 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.508 -7.865 5.516 1.00 0.00 H new ATOM 446 N CYS A 30 -1.372 -6.515 2.463 1.00 0.00 N ATOM 447 CA CYS A 30 -0.613 -7.034 1.332 1.00 0.00 C ATOM 448 C CYS A 30 0.333 -5.975 0.776 1.00 0.00 C ATOM 449 O CYS A 30 1.496 -6.257 0.496 1.00 0.00 O ATOM 450 CB CYS A 30 -1.555 -7.520 0.239 1.00 0.00 C ATOM 451 SG CYS A 30 -2.035 -9.275 0.399 1.00 0.00 S ATOM 0 H CYS A 30 -2.329 -6.241 2.240 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.016 -7.875 1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.455 -6.905 0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.078 -7.371 -0.730 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.551 -9.688 -0.721 1.00 0.00 H new ATOM 456 N LEU A 31 -0.162 -4.752 0.661 1.00 0.00 N ATOM 457 CA LEU A 31 0.653 -3.630 0.196 1.00 0.00 C ATOM 458 C LEU A 31 1.614 -3.170 1.295 1.00 0.00 C ATOM 459 O LEU A 31 1.646 -1.999 1.674 1.00 0.00 O ATOM 460 CB LEU A 31 -0.239 -2.471 -0.258 1.00 0.00 C ATOM 461 CG LEU A 31 0.492 -1.306 -0.938 1.00 0.00 C ATOM 462 CD1 LEU A 31 1.662 -1.801 -1.775 1.00 0.00 C ATOM 463 CD2 LEU A 31 -0.472 -0.499 -1.790 1.00 0.00 C ATOM 0 H LEU A 31 -1.127 -4.507 0.883 1.00 0.00 H new ATOM 0 HA LEU A 31 1.243 -3.965 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.988 -2.860 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.774 -2.085 0.610 1.00 0.00 H new ATOM 0 HG LEU A 31 0.892 -0.659 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.159 -0.952 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.370 -2.328 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.296 -2.478 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.063 0.323 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.905 -1.141 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.267 -0.099 -1.160 1.00 0.00 H new ATOM 475 N SER A 32 2.418 -4.096 1.771 1.00 0.00 N ATOM 476 CA SER A 32 3.400 -3.813 2.795 1.00 0.00 C ATOM 477 C SER A 32 4.766 -4.328 2.359 1.00 0.00 C ATOM 478 O SER A 32 4.970 -4.614 1.173 1.00 0.00 O ATOM 479 CB SER A 32 2.977 -4.464 4.114 1.00 0.00 C ATOM 480 OG SER A 32 1.580 -4.331 4.320 1.00 0.00 O ATOM 0 H SER A 32 2.409 -5.067 1.459 1.00 0.00 H new ATOM 0 HA SER A 32 3.466 -2.735 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.248 -5.520 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.516 -4.002 4.941 1.00 0.00 H new ATOM 0 HG SER A 32 1.153 -5.210 4.245 1.00 0.00 H new ATOM 486 N CYS A 33 5.670 -4.487 3.325 1.00 0.00 N ATOM 487 CA CYS A 33 6.997 -5.025 3.085 1.00 0.00 C ATOM 488 C CYS A 33 6.926 -6.298 2.239 1.00 0.00 C ATOM 489 O CYS A 33 6.264 -7.270 2.613 1.00 0.00 O ATOM 490 CB CYS A 33 7.643 -5.338 4.434 1.00 0.00 C ATOM 491 SG CYS A 33 8.805 -4.084 5.050 1.00 0.00 S ATOM 0 H CYS A 33 5.496 -4.243 4.300 1.00 0.00 H new ATOM 0 HA CYS A 33 7.590 -4.291 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.854 -5.472 5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.170 -6.289 4.354 1.00 0.00 H new ATOM 0 HG CYS A 33 10.013 -4.565 5.030 1.00 0.00 H new ATOM 496 N ASP A 34 7.585 -6.282 1.092 1.00 0.00 N ATOM 497 CA ASP A 34 7.577 -7.440 0.202 1.00 0.00 C ATOM 498 C ASP A 34 8.664 -8.416 0.602 1.00 0.00 C ATOM 499 O ASP A 34 8.398 -9.587 0.869 1.00 0.00 O ATOM 500 CB ASP A 34 7.780 -7.019 -1.252 1.00 0.00 C ATOM 501 CG ASP A 34 7.185 -8.011 -2.233 1.00 0.00 C ATOM 502 OD1 ASP A 34 7.837 -9.036 -2.523 1.00 0.00 O ATOM 503 OD2 ASP A 34 6.061 -7.770 -2.718 1.00 0.00 O ATOM 0 H ASP A 34 8.129 -5.488 0.754 1.00 0.00 H new ATOM 0 HA ASP A 34 6.604 -7.922 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.327 -6.040 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.846 -6.912 -1.450 1.00 0.00 H new ATOM 508 N LEU A 35 9.885 -7.908 0.662 1.00 0.00 N ATOM 509 CA LEU A 35 11.035 -8.710 1.043 1.00 0.00 C ATOM 510 C LEU A 35 10.878 -9.227 2.469 1.00 0.00 C ATOM 511 O LEU A 35 10.897 -10.434 2.713 1.00 0.00 O ATOM 512 CB LEU A 35 12.308 -7.868 0.924 1.00 0.00 C ATOM 513 CG LEU A 35 13.599 -8.574 1.338 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.388 -9.003 0.111 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.435 -7.665 2.225 1.00 0.00 C ATOM 0 H LEU A 35 10.105 -6.935 0.449 1.00 0.00 H new ATOM 0 HA LEU A 35 11.106 -9.568 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.410 -7.537 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.191 -6.973 1.535 1.00 0.00 H new ATOM 0 HG LEU A 35 13.341 -9.468 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.304 -9.504 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.787 -9.687 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.640 -8.126 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.352 -8.180 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.686 -6.755 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.868 -7.407 3.119 1.00 0.00 H new ATOM 527 N CYS A 36 10.767 -8.293 3.400 1.00 0.00 N ATOM 528 CA CYS A 36 10.660 -8.606 4.815 1.00 0.00 C ATOM 529 C CYS A 36 9.284 -9.167 5.171 1.00 0.00 C ATOM 530 O CYS A 36 9.166 -10.276 5.693 1.00 0.00 O ATOM 531 CB CYS A 36 10.945 -7.333 5.597 1.00 0.00 C ATOM 532 SG CYS A 36 12.032 -6.180 4.692 1.00 0.00 S ATOM 0 H CYS A 36 10.749 -7.294 3.195 1.00 0.00 H new ATOM 0 HA CYS A 36 11.383 -9.381 5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.004 -6.834 5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.409 -7.592 6.549 1.00 0.00 H new ATOM 0 HG CYS A 36 11.352 -5.587 3.756 1.00 0.00 H new ATOM 537 N GLY A 37 8.248 -8.407 4.860 1.00 0.00 N ATOM 538 CA GLY A 37 6.894 -8.862 5.113 1.00 0.00 C ATOM 539 C GLY A 37 6.272 -8.246 6.354 1.00 0.00 C ATOM 540 O GLY A 37 5.354 -8.820 6.937 1.00 0.00 O ATOM 0 H GLY A 37 8.318 -7.482 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.272 -8.627 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.897 -9.947 5.218 1.00 0.00 H new ATOM 710 N TYR A 48 7.123 3.011 -4.915 1.00 0.00 N ATOM 711 CA TYR A 48 8.211 2.341 -5.612 1.00 0.00 C ATOM 712 C TYR A 48 7.966 0.838 -5.634 1.00 0.00 C ATOM 713 O TYR A 48 7.572 0.264 -4.621 1.00 0.00 O ATOM 714 CB TYR A 48 9.538 2.566 -4.885 1.00 0.00 C ATOM 715 CG TYR A 48 10.193 3.903 -5.116 1.00 0.00 C ATOM 716 CD1 TYR A 48 10.123 4.551 -6.341 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.907 4.501 -4.094 1.00 0.00 C ATOM 718 CE1 TYR A 48 10.751 5.767 -6.536 1.00 0.00 C ATOM 719 CE2 TYR A 48 11.535 5.715 -4.277 1.00 0.00 C ATOM 720 CZ TYR A 48 11.456 6.345 -5.500 1.00 0.00 C ATOM 721 OH TYR A 48 12.087 7.553 -5.688 1.00 0.00 O ATOM 0 HA TYR A 48 8.255 2.749 -6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.370 2.445 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.234 1.784 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.571 4.100 -7.152 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.974 4.008 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.690 6.262 -7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.086 6.169 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 48 12.537 7.820 -4.859 1.00 0.00 H new ATOM 731 N TYR A 49 8.380 0.185 -6.703 1.00 0.00 N ATOM 732 CA TYR A 49 8.388 -1.267 -6.744 1.00 0.00 C ATOM 733 C TYR A 49 9.413 -1.746 -7.759 1.00 0.00 C ATOM 734 O TYR A 49 9.784 -1.007 -8.665 1.00 0.00 O ATOM 735 CB TYR A 49 6.988 -1.818 -7.039 1.00 0.00 C ATOM 736 CG TYR A 49 6.535 -1.708 -8.477 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.969 -0.536 -8.956 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.647 -2.789 -9.344 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.531 -0.438 -10.262 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.206 -2.700 -10.650 1.00 0.00 C ATOM 741 CZ TYR A 49 5.653 -1.525 -11.104 1.00 0.00 C ATOM 742 OH TYR A 49 5.207 -1.439 -12.404 1.00 0.00 O ATOM 0 H TYR A 49 8.715 0.635 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 49 8.676 -1.650 -5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.961 -2.868 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.270 -1.293 -6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.869 0.314 -8.297 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.085 -3.711 -8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.096 0.483 -10.622 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.295 -3.549 -11.312 1.00 0.00 H new ATOM 0 HH TYR A 49 5.368 -2.290 -12.862 1.00 0.00 H new ATOM 752 N LYS A 50 9.940 -2.941 -7.555 1.00 0.00 N ATOM 753 CA LYS A 50 10.981 -3.465 -8.418 1.00 0.00 C ATOM 754 C LYS A 50 10.371 -4.297 -9.538 1.00 0.00 C ATOM 755 O LYS A 50 9.164 -4.524 -9.546 1.00 0.00 O ATOM 756 CB LYS A 50 11.991 -4.280 -7.602 1.00 0.00 C ATOM 757 CG LYS A 50 13.339 -3.591 -7.452 1.00 0.00 C ATOM 758 CD LYS A 50 14.396 -4.539 -6.907 1.00 0.00 C ATOM 759 CE LYS A 50 15.793 -4.154 -7.371 1.00 0.00 C ATOM 760 NZ LYS A 50 16.848 -4.908 -6.645 1.00 0.00 N ATOM 0 H LYS A 50 9.663 -3.566 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 50 11.516 -2.632 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.577 -4.472 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.137 -5.248 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.660 -3.205 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.238 -2.735 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.361 -4.535 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.173 -5.556 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.884 -4.342 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.943 -3.085 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.784 -4.616 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.778 -4.709 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.721 -5.927 -6.809 1.00 0.00 H new ATOM 774 N LEU A 51 11.215 -4.654 -10.508 1.00 0.00 N ATOM 775 CA LEU A 51 10.826 -5.357 -11.740 1.00 0.00 C ATOM 776 C LEU A 51 9.565 -6.206 -11.594 1.00 0.00 C ATOM 777 O LEU A 51 8.578 -5.982 -12.294 1.00 0.00 O ATOM 778 CB LEU A 51 11.980 -6.243 -12.221 1.00 0.00 C ATOM 779 CG LEU A 51 13.251 -6.177 -11.369 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.214 -7.232 -10.273 1.00 0.00 C ATOM 781 CD2 LEU A 51 14.486 -6.346 -12.238 1.00 0.00 C ATOM 0 H LEU A 51 12.215 -4.459 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 51 10.599 -4.582 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.635 -7.277 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.232 -5.961 -13.243 1.00 0.00 H new ATOM 0 HG LEU A 51 13.299 -5.196 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.125 -7.170 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.349 -7.061 -9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.141 -8.222 -10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.379 -6.296 -11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.448 -7.312 -12.741 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.518 -5.551 -12.983 1.00 0.00 H new ATOM 793 N GLY A 52 9.623 -7.211 -10.738 1.00 0.00 N ATOM 794 CA GLY A 52 8.500 -8.120 -10.612 1.00 0.00 C ATOM 795 C GLY A 52 7.968 -8.231 -9.199 1.00 0.00 C ATOM 796 O GLY A 52 7.228 -9.163 -8.884 1.00 0.00 O ATOM 0 H GLY A 52 10.418 -7.415 -10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.697 -7.786 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.803 -9.109 -10.956 1.00 0.00 H new ATOM 800 N ARG A 53 8.325 -7.285 -8.342 1.00 0.00 N ATOM 801 CA ARG A 53 7.834 -7.301 -6.971 1.00 0.00 C ATOM 802 C ARG A 53 7.770 -5.897 -6.390 1.00 0.00 C ATOM 803 O ARG A 53 8.736 -5.137 -6.486 1.00 0.00 O ATOM 804 CB ARG A 53 8.715 -8.193 -6.091 1.00 0.00 C ATOM 805 CG ARG A 53 10.200 -7.883 -6.181 1.00 0.00 C ATOM 806 CD ARG A 53 10.922 -8.290 -4.911 1.00 0.00 C ATOM 807 NE ARG A 53 12.374 -8.184 -5.039 1.00 0.00 N ATOM 808 CZ ARG A 53 13.235 -8.767 -4.208 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.796 -9.499 -3.192 1.00 0.00 N ATOM 810 NH2 ARG A 53 14.539 -8.621 -4.402 1.00 0.00 N ATOM 0 H ARG A 53 8.944 -6.506 -8.567 1.00 0.00 H new ATOM 0 HA ARG A 53 6.824 -7.710 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.396 -8.090 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.555 -9.234 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.633 -8.408 -7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.342 -6.817 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.585 -7.661 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.656 -9.316 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 53 12.749 -7.631 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.794 -9.617 -3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.461 -9.943 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.879 -8.064 -5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.202 -9.066 -3.767 1.00 0.00 H new ATOM 824 N LYS A 54 6.687 -5.596 -5.686 1.00 0.00 N ATOM 825 CA LYS A 54 6.565 -4.325 -4.985 1.00 0.00 C ATOM 826 C LYS A 54 7.370 -4.369 -3.687 1.00 0.00 C ATOM 827 O LYS A 54 6.816 -4.388 -2.587 1.00 0.00 O ATOM 828 CB LYS A 54 5.096 -3.991 -4.702 1.00 0.00 C ATOM 829 CG LYS A 54 4.291 -5.154 -4.143 1.00 0.00 C ATOM 830 CD LYS A 54 3.596 -4.778 -2.847 1.00 0.00 C ATOM 831 CE LYS A 54 3.239 -6.008 -2.032 1.00 0.00 C ATOM 832 NZ LYS A 54 4.355 -6.433 -1.149 1.00 0.00 N ATOM 0 H LYS A 54 5.882 -6.214 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 54 6.966 -3.537 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.053 -3.161 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.628 -3.650 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.549 -5.470 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.951 -6.004 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.244 -4.127 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.691 -4.212 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.357 -5.798 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.977 -6.825 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.089 -7.305 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.204 -6.609 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.555 -5.683 -0.456 1.00 0.00 H new ATOM 846 N LEU A 55 8.681 -4.462 -3.841 1.00 0.00 N ATOM 847 CA LEU A 55 9.581 -4.573 -2.713 1.00 0.00 C ATOM 848 C LEU A 55 9.809 -3.206 -2.095 1.00 0.00 C ATOM 849 O LEU A 55 9.711 -2.181 -2.779 1.00 0.00 O ATOM 850 CB LEU A 55 10.912 -5.202 -3.156 1.00 0.00 C ATOM 851 CG LEU A 55 12.180 -4.501 -2.653 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.164 -5.511 -2.085 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.821 -3.693 -3.769 1.00 0.00 C ATOM 0 H LEU A 55 9.146 -4.462 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 55 9.132 -5.221 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.933 -6.238 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.938 -5.222 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 55 11.899 -3.816 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.056 -4.992 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.701 -6.041 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.441 -6.225 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.719 -3.203 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.087 -4.356 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.117 -2.939 -4.123 1.00 0.00 H new ATOM 865 N CYS A 56 10.166 -3.207 -0.821 1.00 0.00 N ATOM 866 CA CYS A 56 10.444 -1.990 -0.103 1.00 0.00 C ATOM 867 C CYS A 56 11.660 -1.302 -0.682 1.00 0.00 C ATOM 868 O CYS A 56 12.696 -1.924 -0.900 1.00 0.00 O ATOM 869 CB CYS A 56 10.688 -2.341 1.356 1.00 0.00 C ATOM 870 SG CYS A 56 10.659 -4.144 1.670 1.00 0.00 S ATOM 0 H CYS A 56 10.269 -4.054 -0.263 1.00 0.00 H new ATOM 0 HA CYS A 56 9.598 -1.309 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.653 -1.939 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.930 -1.858 1.972 1.00 0.00 H new ATOM 0 HG CYS A 56 10.043 -4.380 2.790 1.00 0.00 H new ATOM 875 N ARG A 57 11.570 -0.001 -0.785 1.00 0.00 N ATOM 876 CA ARG A 57 12.700 0.804 -1.198 1.00 0.00 C ATOM 877 C ARG A 57 13.516 1.154 0.024 1.00 0.00 C ATOM 878 O ARG A 57 14.717 1.404 -0.053 1.00 0.00 O ATOM 879 CB ARG A 57 12.229 2.074 -1.901 1.00 0.00 C ATOM 880 CG ARG A 57 13.354 2.862 -2.553 1.00 0.00 C ATOM 881 CD ARG A 57 13.783 2.253 -3.880 1.00 0.00 C ATOM 882 NE ARG A 57 12.879 1.200 -4.344 1.00 0.00 N ATOM 883 CZ ARG A 57 12.821 0.785 -5.607 1.00 0.00 C ATOM 884 NH1 ARG A 57 13.553 1.377 -6.542 1.00 0.00 N ATOM 885 NH2 ARG A 57 12.010 -0.208 -5.945 1.00 0.00 N ATOM 0 H ARG A 57 10.722 0.530 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 57 13.311 0.239 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.495 1.807 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 57 11.721 2.712 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.030 3.890 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.209 2.899 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.835 3.038 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.788 1.843 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 57 12.260 0.760 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.165 2.155 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.504 1.054 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.429 -0.656 -5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.967 -0.524 -6.914 1.00 0.00 H new ATOM 899 N ARG A 58 12.847 1.136 1.160 1.00 0.00 N ATOM 900 CA ARG A 58 13.481 1.427 2.422 1.00 0.00 C ATOM 901 C ARG A 58 14.417 0.309 2.817 1.00 0.00 C ATOM 902 O ARG A 58 15.555 0.565 3.195 1.00 0.00 O ATOM 903 CB ARG A 58 12.426 1.650 3.507 1.00 0.00 C ATOM 904 CG ARG A 58 11.517 2.834 3.238 1.00 0.00 C ATOM 905 CD ARG A 58 12.315 4.047 2.819 1.00 0.00 C ATOM 906 NE ARG A 58 11.687 4.797 1.742 1.00 0.00 N ATOM 907 CZ ARG A 58 12.340 5.222 0.668 1.00 0.00 C ATOM 908 NH1 ARG A 58 13.591 4.827 0.448 1.00 0.00 N ATOM 909 NH2 ARG A 58 11.737 6.030 -0.183 1.00 0.00 N ATOM 0 H ARG A 58 11.853 0.920 1.230 1.00 0.00 H new ATOM 0 HA ARG A 58 14.066 2.340 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.818 0.750 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.927 1.798 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.802 2.577 2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.941 3.065 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.449 4.702 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.308 3.730 2.502 1.00 0.00 H new ATOM 0 HE ARG A 58 10.692 5.007 1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.050 4.196 1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.091 5.155 -0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.775 6.324 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.233 6.361 -1.011 1.00 0.00 H new ATOM 923 N ASP A 59 13.955 -0.925 2.684 1.00 0.00 N ATOM 924 CA ASP A 59 14.776 -2.077 3.021 1.00 0.00 C ATOM 925 C ASP A 59 15.723 -2.405 1.872 1.00 0.00 C ATOM 926 O ASP A 59 16.782 -3.000 2.075 1.00 0.00 O ATOM 927 CB ASP A 59 13.892 -3.273 3.365 1.00 0.00 C ATOM 928 CG ASP A 59 13.098 -3.047 4.635 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.720 -3.020 5.728 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.861 -2.869 4.542 1.00 0.00 O ATOM 0 H ASP A 59 13.020 -1.154 2.347 1.00 0.00 H new ATOM 0 HA ASP A 59 15.379 -1.839 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.207 -3.467 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.513 -4.161 3.479 1.00 0.00 H new ATOM 935 N TYR A 60 15.402 -1.883 0.694 1.00 0.00 N ATOM 936 CA TYR A 60 16.276 -1.978 -0.463 1.00 0.00 C ATOM 937 C TYR A 60 17.461 -1.027 -0.279 1.00 0.00 C ATOM 938 O TYR A 60 18.575 -1.310 -0.715 1.00 0.00 O ATOM 939 CB TYR A 60 15.445 -1.662 -1.716 1.00 0.00 C ATOM 940 CG TYR A 60 16.154 -0.997 -2.872 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.505 0.346 -2.823 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.411 -1.703 -4.040 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.107 0.964 -3.905 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.000 -1.091 -5.126 1.00 0.00 C ATOM 945 CZ TYR A 60 17.349 0.241 -5.056 1.00 0.00 C ATOM 946 OH TYR A 60 17.922 0.856 -6.148 1.00 0.00 O ATOM 0 H TYR A 60 14.530 -1.384 0.517 1.00 0.00 H new ATOM 0 HA TYR A 60 16.689 -2.980 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.013 -2.595 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.615 -1.022 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.305 0.916 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.145 -2.748 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.386 2.006 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.187 -1.653 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 60 18.024 0.205 -6.874 1.00 0.00 H new ATOM 1420 N LEU A 96 2.814 5.137 -1.459 1.00 0.00 N ATOM 1421 CA LEU A 96 1.582 5.909 -1.447 1.00 0.00 C ATOM 1422 C LEU A 96 0.399 4.954 -1.343 1.00 0.00 C ATOM 1423 O LEU A 96 0.507 3.795 -1.733 1.00 0.00 O ATOM 1424 CB LEU A 96 1.478 6.752 -2.721 1.00 0.00 C ATOM 1425 CG LEU A 96 0.579 6.186 -3.820 1.00 0.00 C ATOM 1426 CD1 LEU A 96 -0.713 6.980 -3.903 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.298 6.193 -5.161 1.00 0.00 C ATOM 0 HA LEU A 96 1.579 6.583 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.110 7.742 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.480 6.885 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 96 0.337 5.153 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.344 6.567 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.237 6.922 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.486 8.022 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.640 5.786 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.571 7.215 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.199 5.583 -5.094 1.00 0.00 H new ATOM 1439 N ILE A 97 -0.738 5.434 -0.855 1.00 0.00 N ATOM 1440 CA ILE A 97 -1.930 4.606 -0.773 1.00 0.00 C ATOM 1441 C ILE A 97 -3.174 5.454 -0.663 1.00 0.00 C ATOM 1442 O ILE A 97 -3.205 6.447 0.066 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.924 3.633 0.425 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.803 3.969 1.406 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.808 2.200 -0.068 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -1.266 4.771 2.604 1.00 0.00 C ATOM 0 H ILE A 97 -0.858 6.387 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.930 4.024 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.867 3.741 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.346 3.043 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.028 4.529 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.805 1.521 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.655 1.968 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.881 2.082 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.417 4.973 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.696 5.714 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.019 4.205 3.152 1.00 0.00 H new ATOM 1458 N THR A 98 -4.232 4.970 -1.269 1.00 0.00 N ATOM 1459 CA THR A 98 -5.523 5.568 -1.118 1.00 0.00 C ATOM 1460 C THR A 98 -6.476 4.513 -0.557 1.00 0.00 C ATOM 1461 O THR A 98 -6.522 3.379 -1.052 1.00 0.00 O ATOM 1462 CB THR A 98 -6.016 6.140 -2.469 1.00 0.00 C ATOM 1463 OG1 THR A 98 -6.042 7.570 -2.412 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.387 5.617 -2.846 1.00 0.00 C ATOM 0 H THR A 98 -4.215 4.152 -1.878 1.00 0.00 H new ATOM 0 HA THR A 98 -5.478 6.407 -0.424 1.00 0.00 H new ATOM 0 HB THR A 98 -5.316 5.811 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.353 7.926 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.690 6.046 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.351 4.531 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.107 5.897 -2.077 1.00 0.00 H new ATOM 1472 N ARG A 99 -7.138 4.844 0.541 1.00 0.00 N ATOM 1473 CA ARG A 99 -8.045 3.912 1.187 1.00 0.00 C ATOM 1474 C ARG A 99 -9.337 3.852 0.396 1.00 0.00 C ATOM 1475 O ARG A 99 -9.999 4.875 0.197 1.00 0.00 O ATOM 1476 CB ARG A 99 -8.344 4.340 2.627 1.00 0.00 C ATOM 1477 CG ARG A 99 -7.126 4.802 3.407 1.00 0.00 C ATOM 1478 CD ARG A 99 -6.484 3.660 4.184 1.00 0.00 C ATOM 1479 NE ARG A 99 -7.467 2.800 4.847 1.00 0.00 N ATOM 1480 CZ ARG A 99 -7.186 1.590 5.328 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -5.939 1.124 5.292 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -8.147 0.861 5.886 1.00 0.00 N ATOM 0 H ARG A 99 -7.063 5.751 1.002 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.574 2.930 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.077 5.147 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.803 3.504 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.396 5.230 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.416 5.594 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.882 3.058 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.806 4.072 4.931 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.421 3.147 4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.193 1.694 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.730 0.197 5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.097 1.228 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.935 -0.066 6.255 1.00 0.00 H new ATOM 1496 N LEU A 100 -9.671 2.683 -0.112 1.00 0.00 N ATOM 1497 CA LEU A 100 -10.870 2.549 -0.909 1.00 0.00 C ATOM 1498 C LEU A 100 -11.891 1.672 -0.229 1.00 0.00 C ATOM 1499 O LEU A 100 -11.592 0.931 0.710 1.00 0.00 O ATOM 1500 CB LEU A 100 -10.570 1.999 -2.293 1.00 0.00 C ATOM 1501 CG LEU A 100 -11.364 2.653 -3.424 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -10.771 4.008 -3.772 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -11.389 1.757 -4.647 1.00 0.00 C ATOM 0 H LEU A 100 -9.136 1.823 0.011 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.282 3.552 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.506 2.122 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.774 0.928 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.389 2.799 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.347 4.461 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.803 4.655 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.737 3.881 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.959 2.240 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.369 1.579 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.857 0.806 -4.392 1.00 0.00 H new ATOM 1515 N GLU A 101 -13.091 1.761 -0.741 1.00 0.00 N ATOM 1516 CA GLU A 101 -14.228 1.028 -0.221 1.00 0.00 C ATOM 1517 C GLU A 101 -14.773 0.106 -1.300 1.00 0.00 C ATOM 1518 O GLU A 101 -14.868 0.504 -2.462 1.00 0.00 O ATOM 1519 CB GLU A 101 -15.309 2.016 0.234 1.00 0.00 C ATOM 1520 CG GLU A 101 -15.039 3.444 -0.225 1.00 0.00 C ATOM 1521 CD GLU A 101 -15.605 4.502 0.700 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -14.899 4.915 1.645 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -16.745 4.952 0.463 1.00 0.00 O ATOM 0 H GLU A 101 -13.315 2.351 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.919 0.426 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.276 1.692 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -15.377 1.996 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.962 3.590 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.461 3.582 -1.220 1.00 0.00 H new ATOM 1530 N ASN A 102 -15.036 -1.143 -0.940 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.510 -2.129 -1.906 1.00 0.00 C ATOM 1532 C ASN A 102 -16.851 -1.704 -2.503 1.00 0.00 C ATOM 1533 O ASN A 102 -16.929 -1.339 -3.677 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.634 -3.505 -1.250 1.00 0.00 C ATOM 1535 CG ASN A 102 -15.324 -4.644 -2.207 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.576 -4.555 -3.409 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.784 -5.730 -1.677 1.00 0.00 N ATOM 0 H ASN A 102 -14.930 -1.498 0.010 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.780 -2.191 -2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.957 -3.558 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -16.645 -3.628 -0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.562 -6.530 -2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.590 -5.767 -0.676 1.00 0.00 H new ATOM 1544 N THR A 103 -17.906 -1.736 -1.697 1.00 0.00 N ATOM 1545 CA THR A 103 -19.223 -1.341 -2.164 1.00 0.00 C ATOM 1546 C THR A 103 -19.981 -0.544 -1.096 1.00 0.00 C ATOM 1547 O THR A 103 -19.682 0.624 -0.849 1.00 0.00 O ATOM 1548 CB THR A 103 -20.050 -2.572 -2.570 1.00 0.00 C ATOM 1549 OG1 THR A 103 -19.425 -3.772 -2.090 1.00 0.00 O ATOM 1550 CG2 THR A 103 -20.221 -2.636 -4.071 1.00 0.00 C ATOM 0 H THR A 103 -17.872 -2.031 -0.721 1.00 0.00 H new ATOM 0 HA THR A 103 -19.078 -0.702 -3.035 1.00 0.00 H new ATOM 0 HB THR A 103 -21.038 -2.483 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 103 -19.962 -4.548 -2.353 1.00 0.00 H new ATOM 0 HG21 THR A 103 -20.809 -3.515 -4.333 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.735 -1.739 -4.417 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.242 -2.700 -4.546 1.00 0.00 H new