USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 344 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -6:sc= 0.586 USER MOD Single : A 9 ASN : amide:sc= 0.0306 K(o=0.031,f=-5.8!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 70:sc= 0.181 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00745 USER MOD Single : A 33 SER OG : rot 96:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 97:sc= -0.132 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.437 -5.176 0.498 1.00 10.00 N ATOM 14 CA ILE A 2 -3.868 -5.377 -0.837 1.00 10.00 C ATOM 15 C ILE A 2 -4.144 -6.797 -1.353 1.00 10.00 C ATOM 16 O ILE A 2 -4.335 -7.745 -0.585 1.00 10.00 O ATOM 17 CB ILE A 2 -2.350 -5.062 -0.865 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.575 -5.738 0.290 1.00 10.00 C ATOM 19 CG2 ILE A 2 -2.137 -3.540 -0.882 1.00 10.00 C ATOM 20 CD1 ILE A 2 -0.054 -5.742 0.099 1.00 10.00 C ATOM 0 HA ILE A 2 -4.362 -4.674 -1.507 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.938 -5.487 -1.780 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -1.813 -5.226 1.222 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.921 -6.766 0.394 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -1.069 -3.322 -0.902 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.610 -3.116 -1.768 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.581 -3.101 0.011 1.00 10.00 H new ATOM 0 HD11 ILE A 2 0.418 -6.233 0.950 1.00 10.00 H new ATOM 0 HD12 ILE A 2 0.196 -6.280 -0.815 1.00 10.00 H new ATOM 0 HD13 ILE A 2 0.306 -4.716 0.026 1.00 10.00 H new ATOM 32 N LYS A 3 -4.086 -6.930 -2.675 1.00 10.00 N ATOM 33 CA LYS A 3 -4.048 -8.170 -3.430 1.00 10.00 C ATOM 34 C LYS A 3 -2.696 -8.206 -4.142 1.00 10.00 C ATOM 35 O LYS A 3 -2.041 -7.172 -4.315 1.00 10.00 O ATOM 36 CB LYS A 3 -5.212 -8.189 -4.443 1.00 10.00 C ATOM 37 CG LYS A 3 -6.589 -8.324 -3.769 1.00 10.00 C ATOM 38 CD LYS A 3 -7.730 -8.224 -4.793 1.00 10.00 C ATOM 39 CE LYS A 3 -9.074 -8.505 -4.103 1.00 10.00 C ATOM 40 NZ LYS A 3 -10.227 -8.314 -5.015 1.00 10.00 N ATOM 0 H LYS A 3 -4.063 -6.114 -3.286 1.00 10.00 H new ATOM 0 HA LYS A 3 -4.159 -9.043 -2.787 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.190 -7.272 -5.032 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.070 -9.017 -5.137 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.648 -9.280 -3.249 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.705 -7.544 -3.016 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.742 -7.231 -5.242 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.569 -8.938 -5.601 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -9.079 -9.527 -3.725 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -9.182 -7.846 -3.242 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -11.110 -8.515 -4.504 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -10.240 -7.332 -5.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -10.140 -8.961 -5.825 1.00 10.00 H new ATOM 54 N LEU A 4 -2.294 -9.393 -4.587 1.00 10.00 N ATOM 55 CA LEU A 4 -1.131 -9.597 -5.443 1.00 10.00 C ATOM 56 C LEU A 4 -1.678 -10.184 -6.734 1.00 10.00 C ATOM 57 O LEU A 4 -2.570 -11.038 -6.688 1.00 10.00 O ATOM 58 CB LEU A 4 -0.116 -10.551 -4.788 1.00 10.00 C ATOM 59 CG LEU A 4 0.485 -10.058 -3.456 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.485 -11.093 -2.930 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.189 -8.704 -3.596 1.00 10.00 C ATOM 0 H LEU A 4 -2.780 -10.260 -4.357 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.595 -8.664 -5.619 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.603 -11.511 -4.615 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.698 -10.729 -5.491 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.341 -9.930 -2.756 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.909 -10.744 -1.989 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.975 -12.042 -2.768 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.284 -11.230 -3.659 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.594 -8.403 -2.630 1.00 10.00 H new ATOM 0 HD22 LEU A 4 2.000 -8.789 -4.319 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.474 -7.956 -3.939 1.00 10.00 H new ATOM 73 N VAL A 5 -1.194 -9.706 -7.879 1.00 10.00 N ATOM 74 CA VAL A 5 -1.868 -9.917 -9.156 1.00 10.00 C ATOM 75 C VAL A 5 -0.817 -10.230 -10.220 1.00 10.00 C ATOM 76 O VAL A 5 0.303 -9.720 -10.148 1.00 10.00 O ATOM 77 CB VAL A 5 -2.718 -8.669 -9.512 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.716 -9.026 -10.620 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.532 -8.097 -8.334 1.00 10.00 C ATOM 0 H VAL A 5 -0.331 -9.166 -7.947 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.552 -10.763 -9.098 1.00 10.00 H new ATOM 0 HB VAL A 5 -1.999 -7.910 -9.821 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.312 -8.148 -10.869 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.174 -9.359 -11.505 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.372 -9.825 -10.275 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.096 -7.227 -8.670 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.221 -8.857 -7.965 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -2.854 -7.802 -7.533 1.00 10.00 H new ATOM 89 N GLN A 6 -1.176 -11.072 -11.194 1.00 10.00 N ATOM 90 CA GLN A 6 -0.327 -11.489 -12.303 1.00 10.00 C ATOM 91 C GLN A 6 -1.246 -11.669 -13.513 1.00 10.00 C ATOM 92 O GLN A 6 -2.186 -12.466 -13.432 1.00 10.00 O ATOM 93 CB GLN A 6 0.371 -12.826 -11.978 1.00 10.00 C ATOM 94 CG GLN A 6 1.146 -12.855 -10.650 1.00 10.00 C ATOM 95 CD GLN A 6 1.890 -14.174 -10.425 1.00 10.00 C ATOM 96 OE1 GLN A 6 1.348 -15.261 -10.614 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.138 -14.113 -9.986 1.00 10.00 N ATOM 0 H GLN A 6 -2.103 -11.496 -11.228 1.00 10.00 H new ATOM 0 HA GLN A 6 0.449 -10.748 -12.495 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.381 -13.615 -11.958 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.061 -13.063 -12.788 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.861 -12.033 -10.634 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.452 -12.690 -9.826 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.581 -13.207 -9.832 1.00 10.00 H new ATOM 0 HE22 GLN A 6 3.657 -14.972 -9.802 1.00 10.00 H new ATOM 106 N SER A 7 -1.038 -10.947 -14.615 1.00 10.00 N ATOM 107 CA SER A 7 -1.777 -11.141 -15.870 1.00 10.00 C ATOM 108 C SER A 7 -0.967 -10.551 -17.033 1.00 10.00 C ATOM 109 O SER A 7 -0.240 -9.575 -16.830 1.00 10.00 O ATOM 110 CB SER A 7 -3.155 -10.452 -15.826 1.00 10.00 C ATOM 111 OG SER A 7 -3.925 -10.837 -14.702 1.00 10.00 O ATOM 0 H SER A 7 -0.344 -10.201 -14.665 1.00 10.00 H new ATOM 0 HA SER A 7 -1.929 -12.211 -16.009 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.015 -9.371 -15.812 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.705 -10.691 -16.736 1.00 10.00 H new ATOM 0 HG SER A 7 -3.463 -11.553 -14.218 1.00 10.00 H new ATOM 117 N PRO A 8 -1.091 -11.074 -18.266 1.00 10.00 N ATOM 118 CA PRO A 8 -0.308 -10.584 -19.398 1.00 10.00 C ATOM 119 C PRO A 8 -0.696 -9.161 -19.824 1.00 10.00 C ATOM 120 O PRO A 8 0.145 -8.447 -20.370 1.00 10.00 O ATOM 121 CB PRO A 8 -0.532 -11.604 -20.521 1.00 10.00 C ATOM 122 CG PRO A 8 -1.888 -12.225 -20.189 1.00 10.00 C ATOM 123 CD PRO A 8 -1.906 -12.216 -18.661 1.00 10.00 C ATOM 0 HA PRO A 8 0.746 -10.501 -19.133 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.541 -11.125 -21.500 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.257 -12.355 -20.541 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.711 -11.644 -20.606 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.977 -13.236 -20.588 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.923 -12.121 -18.282 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.501 -13.145 -18.259 1.00 10.00 H new ATOM 131 N ASN A 9 -1.944 -8.738 -19.584 1.00 10.00 N ATOM 132 CA ASN A 9 -2.444 -7.439 -20.044 1.00 10.00 C ATOM 133 C ASN A 9 -2.038 -6.266 -19.144 1.00 10.00 C ATOM 134 O ASN A 9 -2.110 -5.121 -19.595 1.00 10.00 O ATOM 135 CB ASN A 9 -3.972 -7.474 -20.248 1.00 10.00 C ATOM 136 CG ASN A 9 -4.822 -7.561 -18.977 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.326 -7.561 -17.854 1.00 10.00 O ATOM 138 ND2 ASN A 9 -6.130 -7.653 -19.133 1.00 10.00 N ATOM 0 H ASN A 9 -2.632 -9.286 -19.067 1.00 10.00 H new ATOM 0 HA ASN A 9 -1.962 -7.259 -21.005 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.265 -6.578 -20.796 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.214 -8.328 -20.881 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.737 -7.725 -18.317 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -6.533 -7.652 -20.070 1.00 10.00 H new ATOM 145 N GLY A 10 -1.611 -6.523 -17.901 1.00 10.00 N ATOM 146 CA GLY A 10 -1.254 -5.492 -16.929 1.00 10.00 C ATOM 147 C GLY A 10 -2.320 -4.411 -16.749 1.00 10.00 C ATOM 148 O GLY A 10 -1.947 -3.248 -16.590 1.00 10.00 O ATOM 0 H GLY A 10 -1.503 -7.471 -17.540 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.065 -5.965 -15.966 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.322 -5.020 -17.241 1.00 10.00 H new ATOM 152 N ASN A 11 -3.609 -4.762 -16.838 1.00 10.00 N ATOM 153 CA ASN A 11 -4.738 -3.828 -16.848 1.00 10.00 C ATOM 154 C ASN A 11 -4.712 -2.864 -15.650 1.00 10.00 C ATOM 155 O ASN A 11 -5.114 -3.222 -14.543 1.00 10.00 O ATOM 156 CB ASN A 11 -6.058 -4.611 -16.910 1.00 10.00 C ATOM 157 CG ASN A 11 -7.279 -3.708 -16.748 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.293 -2.562 -17.190 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.331 -4.205 -16.125 1.00 10.00 N ATOM 0 H ASN A 11 -3.903 -5.736 -16.907 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.652 -3.206 -17.739 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.122 -5.136 -17.863 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.064 -5.370 -16.127 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -9.169 -3.636 -16.006 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.306 -5.158 -15.763 1.00 10.00 H new ATOM 166 N PHE A 12 -4.227 -1.641 -15.873 1.00 10.00 N ATOM 167 CA PHE A 12 -4.116 -0.600 -14.860 1.00 10.00 C ATOM 168 C PHE A 12 -5.509 -0.041 -14.553 1.00 10.00 C ATOM 169 O PHE A 12 -6.154 0.531 -15.437 1.00 10.00 O ATOM 170 CB PHE A 12 -3.153 0.483 -15.373 1.00 10.00 C ATOM 171 CG PHE A 12 -3.048 1.740 -14.527 1.00 10.00 C ATOM 172 CD1 PHE A 12 -2.212 1.778 -13.394 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.748 2.900 -14.911 1.00 10.00 C ATOM 174 CE1 PHE A 12 -2.090 2.962 -12.644 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.610 4.088 -14.172 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.786 4.118 -13.034 1.00 10.00 C ATOM 0 H PHE A 12 -3.893 -1.343 -16.790 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.713 -0.999 -13.929 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -2.159 0.044 -15.460 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.464 0.771 -16.377 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.663 0.896 -13.100 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.393 2.877 -15.777 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.460 2.982 -11.767 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -4.138 4.979 -14.479 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.688 5.028 -12.461 1.00 10.00 H new ATOM 186 N ALA A 13 -5.971 -0.201 -13.307 1.00 10.00 N ATOM 187 CA ALA A 13 -7.308 0.221 -12.878 1.00 10.00 C ATOM 188 C ALA A 13 -7.338 1.617 -12.231 1.00 10.00 C ATOM 189 O ALA A 13 -8.426 2.161 -12.041 1.00 10.00 O ATOM 190 CB ALA A 13 -7.873 -0.817 -11.901 1.00 10.00 C ATOM 0 H ALA A 13 -5.422 -0.631 -12.563 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.923 0.289 -13.776 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.867 -0.509 -11.578 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.936 -1.786 -12.396 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -7.218 -0.895 -11.034 1.00 10.00 H new ATOM 196 N ALA A 14 -6.172 2.191 -11.903 1.00 10.00 N ATOM 197 CA ALA A 14 -5.943 3.363 -11.052 1.00 10.00 C ATOM 198 C ALA A 14 -6.580 3.263 -9.658 1.00 10.00 C ATOM 199 O ALA A 14 -5.850 3.174 -8.671 1.00 10.00 O ATOM 200 CB ALA A 14 -6.347 4.658 -11.771 1.00 10.00 C ATOM 0 H ALA A 14 -5.293 1.814 -12.257 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.869 3.390 -10.870 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.166 5.510 -11.115 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.757 4.768 -12.681 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.405 4.616 -12.028 1.00 10.00 H new ATOM 206 N SER A 15 -7.907 3.271 -9.551 1.00 10.00 N ATOM 207 CA SER A 15 -8.628 3.302 -8.286 1.00 10.00 C ATOM 208 C SER A 15 -10.093 2.903 -8.497 1.00 10.00 C ATOM 209 O SER A 15 -10.590 2.939 -9.628 1.00 10.00 O ATOM 210 CB SER A 15 -8.517 4.700 -7.647 1.00 10.00 C ATOM 211 OG SER A 15 -8.606 5.763 -8.590 1.00 10.00 O ATOM 0 H SER A 15 -8.524 3.256 -10.363 1.00 10.00 H new ATOM 0 HA SER A 15 -8.180 2.580 -7.603 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.307 4.816 -6.905 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.568 4.774 -7.116 1.00 10.00 H new ATOM 0 HG SER A 15 -8.531 6.621 -8.123 1.00 10.00 H new ATOM 217 N PHE A 16 -10.792 2.536 -7.418 1.00 10.00 N ATOM 218 CA PHE A 16 -12.195 2.122 -7.427 1.00 10.00 C ATOM 219 C PHE A 16 -12.776 2.301 -6.014 1.00 10.00 C ATOM 220 O PHE A 16 -12.042 2.627 -5.078 1.00 10.00 O ATOM 221 CB PHE A 16 -12.275 0.651 -7.882 1.00 10.00 C ATOM 222 CG PHE A 16 -13.658 0.112 -8.211 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.442 0.735 -9.201 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.143 -1.044 -7.566 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.708 0.219 -9.531 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.406 -1.565 -7.906 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.189 -0.932 -8.886 1.00 10.00 C ATOM 0 H PHE A 16 -10.381 2.519 -6.485 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.777 2.731 -8.119 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.645 0.533 -8.764 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.845 0.028 -7.097 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.070 1.612 -9.709 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.545 -1.531 -6.810 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.311 0.709 -10.281 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.774 -2.453 -7.413 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.160 -1.330 -9.143 1.00 10.00 H new ATOM 237 N VAL A 17 -14.072 2.045 -5.831 1.00 10.00 N ATOM 238 CA VAL A 17 -14.731 2.011 -4.531 1.00 10.00 C ATOM 239 C VAL A 17 -15.649 0.787 -4.572 1.00 10.00 C ATOM 240 O VAL A 17 -16.373 0.593 -5.551 1.00 10.00 O ATOM 241 CB VAL A 17 -15.499 3.328 -4.266 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.206 3.304 -2.902 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.575 4.559 -4.290 1.00 10.00 C ATOM 0 H VAL A 17 -14.707 1.851 -6.606 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.021 1.929 -3.708 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.230 3.405 -5.071 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.735 4.245 -2.750 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.918 2.479 -2.876 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.467 3.171 -2.112 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.161 5.458 -4.099 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.810 4.455 -3.521 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.099 4.637 -5.267 1.00 10.00 H new ATOM 253 N LEU A 18 -15.607 -0.044 -3.529 1.00 10.00 N ATOM 254 CA LEU A 18 -16.369 -1.282 -3.419 1.00 10.00 C ATOM 255 C LEU A 18 -16.651 -1.498 -1.939 1.00 10.00 C ATOM 256 O LEU A 18 -15.739 -1.359 -1.122 1.00 10.00 O ATOM 257 CB LEU A 18 -15.542 -2.452 -3.989 1.00 10.00 C ATOM 258 CG LEU A 18 -16.170 -3.849 -3.803 1.00 10.00 C ATOM 259 CD1 LEU A 18 -17.479 -3.999 -4.587 1.00 10.00 C ATOM 260 CD2 LEU A 18 -15.180 -4.923 -4.264 1.00 10.00 C ATOM 0 H LEU A 18 -15.022 0.135 -2.713 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.301 -1.227 -3.981 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.384 -2.280 -5.054 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.560 -2.446 -3.516 1.00 10.00 H new ATOM 0 HG LEU A 18 -16.397 -3.970 -2.744 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -17.886 -4.997 -4.427 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -18.197 -3.255 -4.242 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.286 -3.852 -5.650 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -15.625 -5.909 -4.132 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -14.942 -4.771 -5.317 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -14.267 -4.855 -3.672 1.00 10.00 H new ATOM 272 N ASP A 19 -17.895 -1.860 -1.620 1.00 10.00 N ATOM 273 CA ASP A 19 -18.390 -2.164 -0.274 1.00 10.00 C ATOM 274 C ASP A 19 -17.939 -1.133 0.772 1.00 10.00 C ATOM 275 O ASP A 19 -17.371 -1.463 1.815 1.00 10.00 O ATOM 276 CB ASP A 19 -18.076 -3.621 0.103 1.00 10.00 C ATOM 277 CG ASP A 19 -18.725 -4.032 1.440 1.00 10.00 C ATOM 278 OD1 ASP A 19 -19.907 -3.696 1.683 1.00 10.00 O ATOM 279 OD2 ASP A 19 -18.079 -4.755 2.233 1.00 10.00 O ATOM 0 H ASP A 19 -18.622 -1.954 -2.329 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.476 -2.074 -0.284 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -18.429 -4.283 -0.688 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -16.996 -3.752 0.170 1.00 10.00 H new ATOM 284 N GLY A 20 -18.153 0.148 0.452 1.00 10.00 N ATOM 285 CA GLY A 20 -17.877 1.267 1.349 1.00 10.00 C ATOM 286 C GLY A 20 -16.388 1.450 1.659 1.00 10.00 C ATOM 287 O GLY A 20 -16.051 2.069 2.671 1.00 10.00 O ATOM 0 H GLY A 20 -18.528 0.437 -0.451 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.262 2.184 0.902 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.418 1.116 2.283 1.00 10.00 H new ATOM 291 N THR A 21 -15.503 0.924 0.812 1.00 10.00 N ATOM 292 CA THR A 21 -14.056 0.953 0.982 1.00 10.00 C ATOM 293 C THR A 21 -13.471 1.488 -0.328 1.00 10.00 C ATOM 294 O THR A 21 -13.956 1.136 -1.406 1.00 10.00 O ATOM 295 CB THR A 21 -13.579 -0.477 1.317 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.328 -1.023 2.390 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.099 -0.537 1.705 1.00 10.00 C ATOM 0 H THR A 21 -15.789 0.448 -0.044 1.00 10.00 H new ATOM 0 HA THR A 21 -13.730 1.598 1.798 1.00 10.00 H new ATOM 0 HB THR A 21 -13.728 -1.054 0.404 1.00 10.00 H new ATOM 0 HG1 THR A 21 -15.241 -1.212 2.089 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.823 -1.567 1.929 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.491 -0.170 0.878 1.00 10.00 H new ATOM 0 HG23 THR A 21 -11.928 0.084 2.584 1.00 10.00 H new ATOM 305 N LYS A 22 -12.460 2.359 -0.254 1.00 10.00 N ATOM 306 CA LYS A 22 -11.747 2.856 -1.430 1.00 10.00 C ATOM 307 C LYS A 22 -10.593 1.905 -1.746 1.00 10.00 C ATOM 308 O LYS A 22 -10.040 1.270 -0.846 1.00 10.00 O ATOM 309 CB LYS A 22 -11.268 4.297 -1.175 1.00 10.00 C ATOM 310 CG LYS A 22 -10.661 4.953 -2.431 1.00 10.00 C ATOM 311 CD LYS A 22 -10.432 6.464 -2.277 1.00 10.00 C ATOM 312 CE LYS A 22 -9.402 6.789 -1.183 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.149 8.247 -1.069 1.00 10.00 N ATOM 0 H LYS A 22 -12.114 2.739 0.627 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.405 2.886 -2.298 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.108 4.898 -0.826 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.525 4.293 -0.377 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.711 4.470 -2.662 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.322 4.777 -3.280 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.092 6.876 -3.227 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.378 6.950 -2.038 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -9.758 6.407 -0.226 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -8.466 6.275 -1.403 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -8.449 8.420 -0.320 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -8.785 8.608 -1.974 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -10.036 8.736 -0.833 1.00 10.00 H new ATOM 327 N TRP A 23 -10.225 1.837 -3.019 1.00 10.00 N ATOM 328 CA TRP A 23 -9.265 0.902 -3.581 1.00 10.00 C ATOM 329 C TRP A 23 -8.373 1.714 -4.542 1.00 10.00 C ATOM 330 O TRP A 23 -8.874 2.621 -5.209 1.00 10.00 O ATOM 331 CB TRP A 23 -10.078 -0.231 -4.249 1.00 10.00 C ATOM 332 CG TRP A 23 -10.874 -1.119 -3.327 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.106 -0.833 -2.859 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.551 -2.436 -2.763 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.541 -1.821 -2.003 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.625 -2.846 -1.913 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.475 -3.345 -2.888 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.617 -4.066 -1.218 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.450 -4.569 -2.194 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.518 -4.931 -1.356 1.00 10.00 C ATOM 0 H TRP A 23 -10.610 2.467 -3.723 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.605 0.427 -2.855 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.764 0.219 -4.967 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.389 -0.857 -4.816 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.673 0.049 -3.119 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.428 -1.797 -1.500 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.648 -3.092 -3.535 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.448 -4.337 -0.583 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.606 -5.233 -2.306 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.495 -5.869 -0.821 1.00 10.00 H new ATOM 351 N ILE A 24 -7.059 1.455 -4.589 1.00 10.00 N ATOM 352 CA ILE A 24 -6.043 2.337 -5.182 1.00 10.00 C ATOM 353 C ILE A 24 -4.822 1.532 -5.687 1.00 10.00 C ATOM 354 O ILE A 24 -4.542 0.430 -5.213 1.00 10.00 O ATOM 355 CB ILE A 24 -5.665 3.418 -4.126 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.682 4.513 -4.597 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.107 2.803 -2.827 1.00 10.00 C ATOM 358 CD1 ILE A 24 -5.184 5.346 -5.779 1.00 10.00 C ATOM 0 H ILE A 24 -6.661 0.599 -4.203 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.442 2.836 -6.065 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.624 3.905 -3.948 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -4.472 5.180 -3.761 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -3.739 4.043 -4.874 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.859 3.599 -2.125 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.857 2.148 -2.383 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.210 2.227 -3.053 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.433 6.090 -6.045 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.366 4.693 -6.633 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -6.111 5.848 -5.502 1.00 10.00 H new ATOM 370 N PHE A 25 -4.089 2.072 -6.663 1.00 10.00 N ATOM 371 CA PHE A 25 -2.800 1.564 -7.142 1.00 10.00 C ATOM 372 C PHE A 25 -1.753 1.479 -6.015 1.00 10.00 C ATOM 373 O PHE A 25 -1.823 2.237 -5.044 1.00 10.00 O ATOM 374 CB PHE A 25 -2.329 2.488 -8.282 1.00 10.00 C ATOM 375 CG PHE A 25 -0.915 2.252 -8.786 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.644 1.202 -9.683 1.00 10.00 C ATOM 377 CD2 PHE A 25 0.134 3.095 -8.370 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.658 1.002 -10.169 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.439 2.893 -8.853 1.00 10.00 C ATOM 380 CZ PHE A 25 1.703 1.845 -9.752 1.00 10.00 C ATOM 0 H PHE A 25 -4.389 2.909 -7.162 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.921 0.544 -7.507 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.016 2.377 -9.121 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.405 3.521 -7.942 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.442 0.546 -9.999 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.065 3.900 -7.677 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.857 0.200 -10.864 1.00 10.00 H new ATOM 0 HE2 PHE A 25 2.239 3.544 -8.533 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.706 1.688 -10.121 1.00 10.00 H new ATOM 390 N LYS A 26 -0.739 0.609 -6.170 1.00 10.00 N ATOM 391 CA LYS A 26 0.437 0.583 -5.295 1.00 10.00 C ATOM 392 C LYS A 26 1.701 0.363 -6.142 1.00 10.00 C ATOM 393 O LYS A 26 2.499 1.299 -6.229 1.00 10.00 O ATOM 394 CB LYS A 26 0.212 -0.427 -4.144 1.00 10.00 C ATOM 395 CG LYS A 26 1.143 -0.297 -2.925 1.00 10.00 C ATOM 396 CD LYS A 26 2.618 -0.536 -3.263 1.00 10.00 C ATOM 397 CE LYS A 26 3.493 -0.714 -2.019 1.00 10.00 C ATOM 398 NZ LYS A 26 4.930 -0.786 -2.382 1.00 10.00 N ATOM 0 H LYS A 26 -0.716 -0.095 -6.908 1.00 10.00 H new ATOM 0 HA LYS A 26 0.591 1.541 -4.798 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.817 -0.328 -3.799 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.317 -1.434 -4.548 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.032 0.699 -2.496 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.832 -1.010 -2.161 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.703 -1.423 -3.891 1.00 10.00 H new ATOM 0 HD3 LYS A 26 2.993 0.305 -3.847 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.329 0.117 -1.333 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.202 -1.623 -1.493 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.500 -0.907 -1.521 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 5.087 -1.594 -3.017 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.211 0.092 -2.863 1.00 10.00 H new ATOM 412 N SER A 27 1.875 -0.787 -6.807 1.00 10.00 N ATOM 413 CA SER A 27 3.052 -1.072 -7.639 1.00 10.00 C ATOM 414 C SER A 27 2.707 -2.059 -8.761 1.00 10.00 C ATOM 415 O SER A 27 1.881 -2.953 -8.575 1.00 10.00 O ATOM 416 CB SER A 27 4.173 -1.694 -6.786 1.00 10.00 C ATOM 417 OG SER A 27 4.550 -0.884 -5.685 1.00 10.00 O ATOM 0 H SER A 27 1.199 -1.550 -6.783 1.00 10.00 H new ATOM 0 HA SER A 27 3.382 -0.127 -8.069 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.844 -2.666 -6.418 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.045 -1.870 -7.416 1.00 10.00 H new ATOM 0 HG SER A 27 5.262 -1.329 -5.180 1.00 10.00 H new ATOM 423 N LYS A 28 3.389 -1.966 -9.908 1.00 10.00 N ATOM 424 CA LYS A 28 3.247 -2.908 -11.023 1.00 10.00 C ATOM 425 C LYS A 28 4.589 -2.972 -11.756 1.00 10.00 C ATOM 426 O LYS A 28 5.261 -1.944 -11.867 1.00 10.00 O ATOM 427 CB LYS A 28 2.111 -2.423 -11.946 1.00 10.00 C ATOM 428 CG LYS A 28 1.444 -3.548 -12.755 1.00 10.00 C ATOM 429 CD LYS A 28 0.427 -2.991 -13.770 1.00 10.00 C ATOM 430 CE LYS A 28 1.130 -2.391 -15.001 1.00 10.00 C ATOM 431 NZ LYS A 28 0.217 -1.604 -15.866 1.00 10.00 N ATOM 0 H LYS A 28 4.064 -1.224 -10.090 1.00 10.00 H new ATOM 0 HA LYS A 28 2.988 -3.908 -10.676 1.00 10.00 H new ATOM 0 HB2 LYS A 28 1.353 -1.924 -11.342 1.00 10.00 H new ATOM 0 HB3 LYS A 28 2.509 -1.679 -12.636 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.208 -4.120 -13.281 1.00 10.00 H new ATOM 0 HG3 LYS A 28 0.941 -4.236 -12.076 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -0.246 -3.788 -14.086 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -0.186 -2.227 -13.291 1.00 10.00 H new ATOM 0 HE2 LYS A 28 1.948 -1.751 -14.669 1.00 10.00 H new ATOM 0 HE3 LYS A 28 1.573 -3.196 -15.588 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 0.751 -1.212 -16.668 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -0.541 -2.221 -16.223 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -0.200 -0.827 -15.315 1.00 10.00 H new ATOM 445 N TYR A 29 4.987 -4.144 -12.255 1.00 10.00 N ATOM 446 CA TYR A 29 6.224 -4.353 -13.005 1.00 10.00 C ATOM 447 C TYR A 29 6.024 -5.509 -13.988 1.00 10.00 C ATOM 448 O TYR A 29 5.166 -6.368 -13.776 1.00 10.00 O ATOM 449 CB TYR A 29 7.399 -4.635 -12.051 1.00 10.00 C ATOM 450 CG TYR A 29 7.350 -5.959 -11.301 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.575 -6.087 -10.132 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.112 -7.054 -11.755 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.562 -7.299 -9.419 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.110 -8.267 -11.043 1.00 10.00 C ATOM 455 CZ TYR A 29 7.334 -8.394 -9.868 1.00 10.00 C ATOM 456 OH TYR A 29 7.332 -9.557 -9.157 1.00 10.00 O ATOM 0 H TYR A 29 4.440 -4.998 -12.144 1.00 10.00 H new ATOM 0 HA TYR A 29 6.467 -3.449 -13.563 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.324 -4.601 -12.627 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.449 -3.828 -11.320 1.00 10.00 H new ATOM 0 HD1 TYR A 29 5.988 -5.251 -9.782 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.701 -6.961 -12.655 1.00 10.00 H new ATOM 0 HE1 TYR A 29 5.961 -7.393 -8.527 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.701 -9.101 -11.393 1.00 10.00 H new ATOM 0 HH TYR A 29 7.912 -10.212 -9.599 1.00 10.00 H new ATOM 466 N TYR A 30 6.792 -5.531 -15.078 1.00 10.00 N ATOM 467 CA TYR A 30 6.742 -6.619 -16.043 1.00 10.00 C ATOM 468 C TYR A 30 7.743 -7.678 -15.590 1.00 10.00 C ATOM 469 O TYR A 30 8.927 -7.377 -15.415 1.00 10.00 O ATOM 470 CB TYR A 30 7.046 -6.089 -17.448 1.00 10.00 C ATOM 471 CG TYR A 30 6.794 -7.101 -18.549 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.480 -7.327 -19.004 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.865 -7.803 -19.135 1.00 10.00 C ATOM 474 CE1 TYR A 30 5.236 -8.217 -20.064 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.630 -8.695 -20.195 1.00 10.00 C ATOM 476 CZ TYR A 30 6.316 -8.893 -20.677 1.00 10.00 C ATOM 477 OH TYR A 30 6.107 -9.731 -21.730 1.00 10.00 O ATOM 0 H TYR A 30 7.461 -4.798 -15.312 1.00 10.00 H new ATOM 0 HA TYR A 30 5.749 -7.066 -16.091 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.436 -5.205 -17.633 1.00 10.00 H new ATOM 0 HB3 TYR A 30 8.088 -5.772 -17.490 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.654 -6.813 -18.535 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.870 -7.655 -18.769 1.00 10.00 H new ATOM 0 HE1 TYR A 30 4.226 -8.384 -20.409 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.455 -9.230 -20.642 1.00 10.00 H new ATOM 0 HH TYR A 30 6.963 -10.107 -22.024 1.00 10.00 H new ATOM 487 N ASP A 31 7.274 -8.905 -15.376 1.00 10.00 N ATOM 488 CA ASP A 31 8.100 -10.030 -14.967 1.00 10.00 C ATOM 489 C ASP A 31 8.434 -10.867 -16.193 1.00 10.00 C ATOM 490 O ASP A 31 7.707 -11.791 -16.580 1.00 10.00 O ATOM 491 CB ASP A 31 7.441 -10.877 -13.875 1.00 10.00 C ATOM 492 CG ASP A 31 8.352 -12.048 -13.464 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.566 -12.028 -13.780 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.861 -12.985 -12.796 1.00 10.00 O ATOM 0 H ASP A 31 6.289 -9.146 -15.485 1.00 10.00 H new ATOM 0 HA ASP A 31 9.018 -9.641 -14.526 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.227 -10.255 -13.006 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.487 -11.262 -14.234 1.00 10.00 H new ATOM 499 N SER A 32 9.557 -10.526 -16.818 1.00 10.00 N ATOM 500 CA SER A 32 10.115 -11.211 -17.974 1.00 10.00 C ATOM 501 C SER A 32 10.388 -12.706 -17.726 1.00 10.00 C ATOM 502 O SER A 32 10.584 -13.443 -18.695 1.00 10.00 O ATOM 503 CB SER A 32 11.398 -10.483 -18.395 1.00 10.00 C ATOM 504 OG SER A 32 11.193 -9.075 -18.424 1.00 10.00 O ATOM 0 H SER A 32 10.124 -9.733 -16.519 1.00 10.00 H new ATOM 0 HA SER A 32 9.375 -11.181 -18.774 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.203 -10.724 -17.700 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.712 -10.830 -19.379 1.00 10.00 H new ATOM 0 HG SER A 32 12.023 -8.629 -18.693 1.00 10.00 H new ATOM 510 N SER A 33 10.374 -13.184 -16.472 1.00 10.00 N ATOM 511 CA SER A 33 10.530 -14.606 -16.156 1.00 10.00 C ATOM 512 C SER A 33 9.388 -15.452 -16.743 1.00 10.00 C ATOM 513 O SER A 33 9.595 -16.636 -17.021 1.00 10.00 O ATOM 514 CB SER A 33 10.620 -14.823 -14.637 1.00 10.00 C ATOM 515 OG SER A 33 11.389 -13.818 -14.003 1.00 10.00 O ATOM 0 H SER A 33 10.254 -12.592 -15.650 1.00 10.00 H new ATOM 0 HA SER A 33 11.462 -14.935 -16.616 1.00 10.00 H new ATOM 0 HB2 SER A 33 9.616 -14.834 -14.212 1.00 10.00 H new ATOM 0 HB3 SER A 33 11.062 -15.799 -14.436 1.00 10.00 H new ATOM 0 HG SER A 33 10.794 -13.122 -13.654 1.00 10.00 H new ATOM 521 N LYS A 34 8.207 -14.856 -16.977 1.00 10.00 N ATOM 522 CA LYS A 34 7.091 -15.514 -17.666 1.00 10.00 C ATOM 523 C LYS A 34 6.500 -14.632 -18.772 1.00 10.00 C ATOM 524 O LYS A 34 5.710 -15.124 -19.577 1.00 10.00 O ATOM 525 CB LYS A 34 6.022 -15.950 -16.646 1.00 10.00 C ATOM 526 CG LYS A 34 5.324 -17.254 -17.064 1.00 10.00 C ATOM 527 CD LYS A 34 4.213 -17.636 -16.079 1.00 10.00 C ATOM 528 CE LYS A 34 3.615 -18.996 -16.466 1.00 10.00 C ATOM 529 NZ LYS A 34 2.520 -19.411 -15.552 1.00 10.00 N ATOM 0 H LYS A 34 8.001 -13.899 -16.691 1.00 10.00 H new ATOM 0 HA LYS A 34 7.475 -16.406 -18.160 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.487 -16.085 -15.669 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.279 -15.159 -16.539 1.00 10.00 H new ATOM 0 HG2 LYS A 34 4.903 -17.139 -18.063 1.00 10.00 H new ATOM 0 HG3 LYS A 34 6.057 -18.059 -17.118 1.00 10.00 H new ATOM 0 HD2 LYS A 34 4.613 -17.680 -15.066 1.00 10.00 H new ATOM 0 HD3 LYS A 34 3.435 -16.873 -16.082 1.00 10.00 H new ATOM 0 HE2 LYS A 34 3.234 -18.946 -17.486 1.00 10.00 H new ATOM 0 HE3 LYS A 34 4.400 -19.752 -16.455 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 2.148 -20.334 -15.853 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 2.887 -19.485 -14.582 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 1.757 -18.704 -15.581 1.00 10.00 H new ATOM 543 N GLY A 35 6.894 -13.357 -18.856 1.00 10.00 N ATOM 544 CA GLY A 35 6.438 -12.459 -19.905 1.00 10.00 C ATOM 545 C GLY A 35 5.015 -11.987 -19.622 1.00 10.00 C ATOM 546 O GLY A 35 4.148 -12.072 -20.494 1.00 10.00 O ATOM 0 H GLY A 35 7.539 -12.925 -18.194 1.00 10.00 H new ATOM 0 HA2 GLY A 35 7.106 -11.600 -19.973 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.474 -12.967 -20.868 1.00 10.00 H new ATOM 550 N TYR A 36 4.764 -11.532 -18.392 1.00 10.00 N ATOM 551 CA TYR A 36 3.480 -10.989 -17.962 1.00 10.00 C ATOM 552 C TYR A 36 3.703 -9.845 -16.976 1.00 10.00 C ATOM 553 O TYR A 36 4.799 -9.696 -16.434 1.00 10.00 O ATOM 554 CB TYR A 36 2.565 -12.097 -17.398 1.00 10.00 C ATOM 555 CG TYR A 36 2.970 -12.928 -16.180 1.00 10.00 C ATOM 556 CD1 TYR A 36 4.208 -12.793 -15.513 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.051 -13.891 -15.716 1.00 10.00 C ATOM 558 CE1 TYR A 36 4.523 -13.613 -14.415 1.00 10.00 C ATOM 559 CE2 TYR A 36 2.360 -14.719 -14.621 1.00 10.00 C ATOM 560 CZ TYR A 36 3.606 -14.590 -13.971 1.00 10.00 C ATOM 561 OH TYR A 36 3.920 -15.421 -12.937 1.00 10.00 O ATOM 0 H TYR A 36 5.467 -11.532 -17.653 1.00 10.00 H new ATOM 0 HA TYR A 36 2.957 -10.578 -18.826 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.611 -11.627 -17.158 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.379 -12.798 -18.212 1.00 10.00 H new ATOM 0 HD1 TYR A 36 4.919 -12.053 -15.850 1.00 10.00 H new ATOM 0 HD2 TYR A 36 1.095 -13.995 -16.208 1.00 10.00 H new ATOM 0 HE1 TYR A 36 5.470 -13.495 -13.909 1.00 10.00 H new ATOM 0 HE2 TYR A 36 1.645 -15.452 -14.279 1.00 10.00 H new ATOM 0 HH TYR A 36 3.170 -16.029 -12.767 1.00 10.00 H new ATOM 571 N TRP A 37 2.683 -9.021 -16.748 1.00 10.00 N ATOM 572 CA TRP A 37 2.740 -8.018 -15.699 1.00 10.00 C ATOM 573 C TRP A 37 2.398 -8.682 -14.369 1.00 10.00 C ATOM 574 O TRP A 37 1.590 -9.613 -14.308 1.00 10.00 O ATOM 575 CB TRP A 37 1.785 -6.867 -16.007 1.00 10.00 C ATOM 576 CG TRP A 37 2.248 -5.942 -17.092 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.937 -6.029 -18.403 1.00 10.00 C ATOM 578 CD2 TRP A 37 3.102 -4.766 -16.970 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.522 -4.987 -19.093 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.250 -4.167 -18.257 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.750 -4.130 -15.892 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.996 -2.996 -18.455 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.501 -2.953 -16.075 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.621 -2.385 -17.356 1.00 10.00 C ATOM 0 H TRP A 37 1.811 -9.031 -17.277 1.00 10.00 H new ATOM 0 HA TRP A 37 3.744 -7.598 -15.640 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.817 -7.282 -16.290 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.630 -6.288 -15.097 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.322 -6.799 -18.845 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.427 -4.841 -20.098 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.669 -4.555 -14.903 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 4.089 -2.569 -19.442 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.986 -2.486 -15.230 1.00 10.00 H new ATOM 0 HH2 TRP A 37 5.193 -1.480 -17.494 1.00 10.00 H new ATOM 595 N VAL A 38 2.985 -8.157 -13.303 1.00 10.00 N ATOM 596 CA VAL A 38 2.805 -8.576 -11.925 1.00 10.00 C ATOM 597 C VAL A 38 2.676 -7.283 -11.117 1.00 10.00 C ATOM 598 O VAL A 38 3.196 -6.241 -11.529 1.00 10.00 O ATOM 599 CB VAL A 38 4.012 -9.446 -11.496 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.937 -9.868 -10.019 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.125 -10.713 -12.363 1.00 10.00 C ATOM 0 H VAL A 38 3.640 -7.379 -13.385 1.00 10.00 H new ATOM 0 HA VAL A 38 1.920 -9.194 -11.769 1.00 10.00 H new ATOM 0 HB VAL A 38 4.894 -8.820 -11.636 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.807 -10.476 -9.770 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.922 -8.980 -9.387 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.029 -10.448 -9.852 1.00 10.00 H new ATOM 0 HG21 VAL A 38 4.982 -11.302 -12.036 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.216 -11.306 -12.260 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.257 -10.429 -13.407 1.00 10.00 H new ATOM 611 N GLY A 39 1.990 -7.306 -9.975 1.00 10.00 N ATOM 612 CA GLY A 39 1.868 -6.116 -9.155 1.00 10.00 C ATOM 613 C GLY A 39 1.392 -6.400 -7.743 1.00 10.00 C ATOM 614 O GLY A 39 0.899 -7.488 -7.429 1.00 10.00 O ATOM 0 H GLY A 39 1.517 -8.130 -9.605 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.835 -5.615 -9.110 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.173 -5.425 -9.632 1.00 10.00 H new ATOM 618 N ILE A 40 1.531 -5.368 -6.917 1.00 10.00 N ATOM 619 CA ILE A 40 1.016 -5.261 -5.565 1.00 10.00 C ATOM 620 C ILE A 40 -0.054 -4.193 -5.737 1.00 10.00 C ATOM 621 O ILE A 40 0.252 -3.111 -6.241 1.00 10.00 O ATOM 622 CB ILE A 40 2.121 -4.796 -4.582 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.377 -5.698 -4.635 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.544 -4.724 -3.156 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.542 -5.175 -3.786 1.00 10.00 C ATOM 0 H ILE A 40 2.041 -4.531 -7.198 1.00 10.00 H new ATOM 0 HA ILE A 40 0.648 -6.199 -5.150 1.00 10.00 H new ATOM 0 HB ILE A 40 2.449 -3.802 -4.888 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.111 -6.699 -4.295 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.705 -5.790 -5.670 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.321 -4.397 -2.465 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.717 -4.015 -3.134 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.185 -5.709 -2.859 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.388 -5.857 -3.870 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.835 -4.187 -4.140 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.232 -5.109 -2.743 1.00 10.00 H new ATOM 637 N TYR A 41 -1.302 -4.481 -5.391 1.00 10.00 N ATOM 638 CA TYR A 41 -2.395 -3.638 -5.835 1.00 10.00 C ATOM 639 C TYR A 41 -3.453 -3.611 -4.755 1.00 10.00 C ATOM 640 O TYR A 41 -3.853 -4.656 -4.253 1.00 10.00 O ATOM 641 CB TYR A 41 -2.948 -4.202 -7.157 1.00 10.00 C ATOM 642 CG TYR A 41 -2.916 -3.222 -8.311 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.660 -2.032 -8.234 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.182 -3.512 -9.476 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.729 -1.167 -9.340 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.265 -2.665 -10.595 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.054 -1.497 -10.534 1.00 10.00 C ATOM 648 OH TYR A 41 -3.135 -0.665 -11.605 1.00 10.00 O ATOM 0 H TYR A 41 -1.576 -5.277 -4.815 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.060 -2.616 -6.013 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.373 -5.087 -7.430 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.977 -4.526 -6.999 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.181 -1.781 -7.322 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.552 -4.389 -9.511 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.298 -0.251 -9.276 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.726 -2.908 -11.499 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.350 -0.078 -11.624 1.00 10.00 H new ATOM 658 N GLU A 42 -3.963 -2.428 -4.433 1.00 10.00 N ATOM 659 CA GLU A 42 -5.105 -2.281 -3.550 1.00 10.00 C ATOM 660 C GLU A 42 -6.337 -1.980 -4.411 1.00 10.00 C ATOM 661 O GLU A 42 -7.200 -1.249 -3.953 1.00 10.00 O ATOM 662 CB GLU A 42 -4.799 -1.217 -2.470 1.00 10.00 C ATOM 663 CG GLU A 42 -5.567 -1.485 -1.169 1.00 10.00 C ATOM 664 CD GLU A 42 -5.258 -0.422 -0.099 1.00 10.00 C ATOM 665 OE1 GLU A 42 -4.208 -0.516 0.576 1.00 10.00 O ATOM 666 OE2 GLU A 42 -6.079 0.501 0.106 1.00 10.00 O ATOM 0 H GLU A 42 -3.592 -1.543 -4.780 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.317 -3.197 -2.998 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.729 -1.206 -2.264 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -5.061 -0.229 -2.849 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.638 -1.496 -1.373 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -5.305 -2.472 -0.788 1.00 10.00 H new ATOM 673 N VAL A 43 -6.429 -2.491 -5.654 1.00 10.00 N ATOM 674 CA VAL A 43 -7.661 -2.431 -6.456 1.00 10.00 C ATOM 675 C VAL A 43 -7.753 -3.563 -7.487 1.00 10.00 C ATOM 676 O VAL A 43 -8.816 -4.178 -7.597 1.00 10.00 O ATOM 677 CB VAL A 43 -7.871 -1.034 -7.105 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.730 -0.514 -7.981 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.169 -0.963 -7.915 1.00 10.00 C ATOM 0 H VAL A 43 -5.653 -2.955 -6.127 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.484 -2.585 -5.758 1.00 10.00 H new ATOM 0 HB VAL A 43 -7.914 -0.381 -6.233 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -6.993 0.467 -8.377 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.821 -0.433 -7.385 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.561 -1.205 -8.807 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.273 0.031 -8.349 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.142 -1.706 -8.712 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.018 -1.164 -7.261 1.00 10.00 H new ATOM 689 N TRP A 44 -6.686 -3.829 -8.253 1.00 10.00 N ATOM 690 CA TRP A 44 -6.764 -4.728 -9.405 1.00 10.00 C ATOM 691 C TRP A 44 -7.116 -6.156 -8.957 1.00 10.00 C ATOM 692 O TRP A 44 -6.756 -6.581 -7.857 1.00 10.00 O ATOM 693 CB TRP A 44 -5.461 -4.656 -10.220 1.00 10.00 C ATOM 694 CG TRP A 44 -5.446 -5.345 -11.555 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.498 -5.497 -12.392 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.308 -5.935 -12.260 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.113 -6.209 -13.505 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.767 -6.496 -13.489 1.00 10.00 C ATOM 699 CE3 TRP A 44 -2.931 -6.063 -11.981 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -3.909 -7.163 -14.377 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.056 -6.725 -12.864 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.547 -7.285 -14.055 1.00 10.00 C ATOM 0 H TRP A 44 -5.760 -3.433 -8.093 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.570 -4.407 -10.064 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.220 -3.605 -10.380 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.660 -5.078 -9.613 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.493 -5.116 -12.213 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.748 -6.490 -14.252 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.538 -5.643 -11.067 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.292 -7.578 -15.298 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.006 -6.802 -12.625 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.878 -7.809 -14.722 1.00 10.00 H new