USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 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 36 MET CE :methyl 154:sc= -2.14! (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -3.88! C(o=-6!,f=-17!) USER MOD Single : A 1 ALA N :NH3+ 166:sc= 0 (180deg=-0.166) USER MOD Single : A 3 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.85) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.415! USER MOD Single : A 8 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.64) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0413) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= 0.21 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 103:sc= 1.1 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.51) USER MOD Single : A 44 THR OG1 : rot 3:sc= 0.211 USER MOD Single : A 49 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.5!) USER MOD Single : A 51 MET CE :methyl 166:sc= -1.11 (180deg=-1.59) USER MOD Single : A 53 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.7) USER MOD Single : A 60 ASN : amide:sc= -0.0637 K(o=-0.064,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 103:sc= 1.05 USER MOD Single : A 71 MET CE :methyl 172:sc= -2.1 (180deg=-2.38) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= 0.5 (180deg=0.212) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.122 (180deg=-0.9) USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.0305 (180deg=-0.384) USER MOD Single : B 46 THR OG1 : rot 180:sc= -0.23 USER MOD Single : B 51 SER OG : rot 180:sc= -0.503 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 61 GLN : amide:sc=-0.00498 K(o=-0.005,f=-1.8!) USER MOD Single : B 63 LYS NZ :NH3+ -161:sc= -0.0302 (180deg=-0.396) USER MOD Single : B 65 MET CE :methyl 152:sc= -0.205 (180deg=-1.35!) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.536 -24.087 -3.559 1.00 0.00 N ATOM 2 CA ALA A 1 -3.862 -22.848 -4.038 1.00 0.00 C ATOM 3 C ALA A 1 -4.698 -22.254 -5.159 1.00 0.00 C ATOM 4 O ALA A 1 -4.183 -21.883 -6.216 1.00 0.00 O ATOM 5 CB ALA A 1 -2.463 -23.193 -4.548 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.878 -24.634 -2.968 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.374 -23.832 -2.999 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.827 -24.662 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.767 -22.127 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.970 -22.286 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.880 -23.634 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.541 -23.905 -5.370 1.00 0.00 H new ATOM 13 N ASP A 2 -5.996 -22.189 -4.913 1.00 0.00 N ATOM 14 CA ASP A 2 -6.939 -21.664 -5.888 1.00 0.00 C ATOM 15 C ASP A 2 -6.663 -20.195 -6.196 1.00 0.00 C ATOM 16 O ASP A 2 -6.732 -19.774 -7.351 1.00 0.00 O ATOM 17 CB ASP A 2 -8.355 -21.827 -5.341 1.00 0.00 C ATOM 18 CG ASP A 2 -8.736 -23.304 -5.338 1.00 0.00 C ATOM 19 OD1 ASP A 2 -8.016 -24.081 -5.945 1.00 0.00 O ATOM 20 OD2 ASP A 2 -9.734 -23.639 -4.724 1.00 0.00 O ATOM 0 H ASP A 2 -6.424 -22.496 -4.039 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.828 -22.221 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.414 -21.424 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.059 -21.261 -5.951 1.00 0.00 H new ATOM 25 N GLN A 3 -6.354 -19.417 -5.161 1.00 0.00 N ATOM 26 CA GLN A 3 -6.077 -17.988 -5.340 1.00 0.00 C ATOM 27 C GLN A 3 -4.941 -17.553 -4.415 1.00 0.00 C ATOM 28 O GLN A 3 -4.685 -18.185 -3.389 1.00 0.00 O ATOM 29 CB GLN A 3 -7.345 -17.179 -5.029 1.00 0.00 C ATOM 30 CG GLN A 3 -7.214 -15.744 -5.551 1.00 0.00 C ATOM 31 CD GLN A 3 -7.186 -15.738 -7.077 1.00 0.00 C ATOM 32 OE1 GLN A 3 -7.939 -16.476 -7.714 1.00 0.00 O ATOM 33 NE2 GLN A 3 -6.361 -14.945 -7.704 1.00 0.00 N ATOM 0 H GLN A 3 -6.289 -19.745 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.776 -17.807 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.210 -17.660 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.519 -17.165 -3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.049 -15.142 -5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.303 -15.289 -5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.738 -14.335 -7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.339 -14.935 -8.724 1.00 0.00 H new ATOM 42 N LEU A 4 -4.267 -16.469 -4.782 1.00 0.00 N ATOM 43 CA LEU A 4 -3.168 -15.948 -3.977 1.00 0.00 C ATOM 44 C LEU A 4 -2.197 -17.046 -3.555 1.00 0.00 C ATOM 45 O LEU A 4 -2.338 -17.642 -2.486 1.00 0.00 O ATOM 46 CB LEU A 4 -3.718 -15.274 -2.730 1.00 0.00 C ATOM 47 CG LEU A 4 -2.565 -14.583 -1.948 1.00 0.00 C ATOM 48 CD1 LEU A 4 -2.746 -13.071 -1.979 1.00 0.00 C ATOM 49 CD2 LEU A 4 -2.557 -15.067 -0.500 1.00 0.00 C ATOM 0 H LEU A 4 -4.461 -15.935 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.626 -15.231 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.473 -14.538 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.209 -16.011 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.616 -14.840 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.934 -12.596 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.736 -12.724 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.698 -12.809 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.747 -14.579 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.509 -14.821 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.410 -16.147 -0.478 1.00 0.00 H new ATOM 61 N THR A 5 -1.231 -17.308 -4.414 1.00 0.00 N ATOM 62 CA THR A 5 -0.217 -18.346 -4.183 1.00 0.00 C ATOM 63 C THR A 5 1.018 -17.752 -3.533 1.00 0.00 C ATOM 64 O THR A 5 0.931 -16.772 -2.797 1.00 0.00 O ATOM 65 CB THR A 5 0.174 -19.026 -5.510 1.00 0.00 C ATOM 66 OG1 THR A 5 1.140 -20.040 -5.254 1.00 0.00 O ATOM 67 CG2 THR A 5 0.757 -17.996 -6.487 1.00 0.00 C ATOM 0 H THR A 5 -1.118 -16.811 -5.298 1.00 0.00 H new ATOM 0 HA THR A 5 -0.646 -19.092 -3.514 1.00 0.00 H new ATOM 0 HB THR A 5 -0.716 -19.469 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.389 -20.475 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.028 -18.492 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.014 -17.225 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.644 -17.539 -6.048 1.00 0.00 H new ATOM 75 N GLU A 6 2.168 -18.359 -3.802 1.00 0.00 N ATOM 76 CA GLU A 6 3.410 -17.877 -3.225 1.00 0.00 C ATOM 77 C GLU A 6 3.802 -16.535 -3.830 1.00 0.00 C ATOM 78 O GLU A 6 4.285 -15.645 -3.137 1.00 0.00 O ATOM 79 CB GLU A 6 4.519 -18.910 -3.437 1.00 0.00 C ATOM 80 CG GLU A 6 5.782 -18.485 -2.678 1.00 0.00 C ATOM 81 CD GLU A 6 6.900 -19.497 -2.913 1.00 0.00 C ATOM 82 OE1 GLU A 6 6.612 -20.557 -3.443 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.029 -19.200 -2.554 1.00 0.00 O ATOM 0 H GLU A 6 2.263 -19.174 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 6 3.265 -17.732 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.188 -19.888 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.739 -19.007 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.100 -17.497 -3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.567 -18.410 -1.612 1.00 0.00 H new ATOM 90 N GLU A 7 3.617 -16.407 -5.125 1.00 0.00 N ATOM 91 CA GLU A 7 3.964 -15.181 -5.803 1.00 0.00 C ATOM 92 C GLU A 7 3.334 -13.976 -5.098 1.00 0.00 C ATOM 93 O GLU A 7 4.035 -13.070 -4.641 1.00 0.00 O ATOM 94 CB GLU A 7 3.470 -15.274 -7.253 1.00 0.00 C ATOM 95 CG GLU A 7 3.402 -13.885 -7.884 1.00 0.00 C ATOM 96 CD GLU A 7 3.168 -13.991 -9.385 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.343 -15.075 -9.918 1.00 0.00 O ATOM 98 OE2 GLU A 7 2.813 -12.986 -9.977 1.00 0.00 O ATOM 0 H GLU A 7 3.230 -17.134 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 7 5.045 -15.044 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.140 -15.911 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.485 -15.740 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.598 -13.310 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.330 -13.346 -7.692 1.00 0.00 H new ATOM 105 N GLN A 8 2.006 -13.947 -5.075 1.00 0.00 N ATOM 106 CA GLN A 8 1.266 -12.826 -4.499 1.00 0.00 C ATOM 107 C GLN A 8 1.763 -12.428 -3.106 1.00 0.00 C ATOM 108 O GLN A 8 2.051 -11.255 -2.869 1.00 0.00 O ATOM 109 CB GLN A 8 -0.227 -13.202 -4.423 1.00 0.00 C ATOM 110 CG GLN A 8 -0.948 -12.878 -5.738 1.00 0.00 C ATOM 111 CD GLN A 8 -1.104 -11.370 -5.896 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.503 -10.684 -4.954 1.00 0.00 O ATOM 113 NE2 GLN A 8 -0.824 -10.811 -7.040 1.00 0.00 N ATOM 0 H GLN A 8 1.416 -14.690 -5.450 1.00 0.00 H new ATOM 0 HA GLN A 8 1.424 -11.964 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.326 -14.265 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.700 -12.661 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.385 -13.283 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.928 -13.356 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.494 -11.381 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.935 -9.804 -7.156 1.00 0.00 H new ATOM 122 N ILE A 9 1.831 -13.371 -2.177 1.00 0.00 N ATOM 123 CA ILE A 9 2.256 -13.019 -0.834 1.00 0.00 C ATOM 124 C ILE A 9 3.607 -12.310 -0.874 1.00 0.00 C ATOM 125 O ILE A 9 3.802 -11.297 -0.203 1.00 0.00 O ATOM 126 CB ILE A 9 2.315 -14.270 0.036 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.082 -15.352 -0.700 1.00 0.00 C ATOM 128 CG2 ILE A 9 0.901 -14.775 0.308 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.163 -16.610 0.153 1.00 0.00 C ATOM 0 H ILE A 9 1.605 -14.355 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 9 1.531 -12.332 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 9 2.808 -14.030 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.591 -15.577 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.086 -14.999 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.947 -15.669 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.332 -14.002 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.412 -15.015 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.716 -17.380 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.675 -16.383 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.157 -16.969 0.368 1.00 0.00 H new ATOM 141 N ALA A 10 4.532 -12.822 -1.667 1.00 0.00 N ATOM 142 CA ALA A 10 5.837 -12.198 -1.769 1.00 0.00 C ATOM 143 C ALA A 10 5.689 -10.762 -2.267 1.00 0.00 C ATOM 144 O ALA A 10 6.381 -9.856 -1.804 1.00 0.00 O ATOM 145 CB ALA A 10 6.708 -13.000 -2.737 1.00 0.00 C ATOM 0 H ALA A 10 4.406 -13.656 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 10 6.309 -12.182 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.690 -12.533 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.820 -14.019 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.236 -13.020 -3.719 1.00 0.00 H new ATOM 151 N GLU A 11 4.776 -10.572 -3.213 1.00 0.00 N ATOM 152 CA GLU A 11 4.532 -9.252 -3.790 1.00 0.00 C ATOM 153 C GLU A 11 4.134 -8.250 -2.705 1.00 0.00 C ATOM 154 O GLU A 11 4.655 -7.134 -2.661 1.00 0.00 O ATOM 155 CB GLU A 11 3.411 -9.343 -4.830 1.00 0.00 C ATOM 156 CG GLU A 11 3.377 -8.069 -5.674 1.00 0.00 C ATOM 157 CD GLU A 11 2.324 -8.206 -6.771 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.216 -8.609 -6.456 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.642 -7.910 -7.911 1.00 0.00 O ATOM 0 H GLU A 11 4.192 -11.314 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 11 5.452 -8.909 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.568 -10.210 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.452 -9.485 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.149 -7.210 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.356 -7.889 -6.117 1.00 0.00 H new ATOM 166 N PHE A 12 3.215 -8.651 -1.829 1.00 0.00 N ATOM 167 CA PHE A 12 2.765 -7.774 -0.755 1.00 0.00 C ATOM 168 C PHE A 12 3.935 -7.438 0.176 1.00 0.00 C ATOM 169 O PHE A 12 4.097 -6.294 0.588 1.00 0.00 O ATOM 170 CB PHE A 12 1.590 -8.451 0.008 1.00 0.00 C ATOM 171 CG PHE A 12 1.835 -8.473 1.502 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.627 -7.316 2.262 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.291 -9.642 2.116 1.00 0.00 C ATOM 174 CE1 PHE A 12 1.873 -7.332 3.635 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.543 -9.656 3.488 1.00 0.00 C ATOM 176 CZ PHE A 12 2.333 -8.500 4.247 1.00 0.00 C ATOM 0 H PHE A 12 2.772 -9.570 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 12 2.401 -6.834 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.663 -7.917 -0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.459 -9.470 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.277 -6.412 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.448 -10.535 1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.708 -6.442 4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.900 -10.558 3.963 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.527 -8.511 5.309 1.00 0.00 H new ATOM 186 N LYS A 13 4.732 -8.447 0.510 1.00 0.00 N ATOM 187 CA LYS A 13 5.862 -8.255 1.395 1.00 0.00 C ATOM 188 C LYS A 13 6.774 -7.163 0.857 1.00 0.00 C ATOM 189 O LYS A 13 7.229 -6.299 1.606 1.00 0.00 O ATOM 190 CB LYS A 13 6.635 -9.573 1.536 1.00 0.00 C ATOM 191 CG LYS A 13 7.843 -9.388 2.485 1.00 0.00 C ATOM 192 CD LYS A 13 9.132 -9.165 1.670 1.00 0.00 C ATOM 193 CE LYS A 13 10.168 -8.445 2.530 1.00 0.00 C ATOM 194 NZ LYS A 13 10.603 -9.338 3.641 1.00 0.00 N ATOM 0 H LYS A 13 4.612 -9.404 0.178 1.00 0.00 H new ATOM 0 HA LYS A 13 5.499 -7.948 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.975 -10.350 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.980 -9.906 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.670 -8.538 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.953 -10.267 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.529 -10.122 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.913 -8.577 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.026 -8.160 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.745 -7.525 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.380 -8.887 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.804 -9.506 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.929 -10.245 3.250 1.00 0.00 H new ATOM 208 N GLU A 14 7.034 -7.203 -0.443 1.00 0.00 N ATOM 209 CA GLU A 14 7.888 -6.201 -1.069 1.00 0.00 C ATOM 210 C GLU A 14 7.273 -4.815 -0.906 1.00 0.00 C ATOM 211 O GLU A 14 7.907 -3.899 -0.380 1.00 0.00 O ATOM 212 CB GLU A 14 8.038 -6.510 -2.561 1.00 0.00 C ATOM 213 CG GLU A 14 8.800 -7.826 -2.762 1.00 0.00 C ATOM 214 CD GLU A 14 10.235 -7.696 -2.268 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.700 -6.573 -2.146 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.852 -8.720 -2.025 1.00 0.00 O ATOM 0 H GLU A 14 6.670 -7.911 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 14 8.866 -6.223 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.054 -6.578 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.568 -5.696 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.296 -8.630 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.796 -8.097 -3.818 1.00 0.00 H new ATOM 223 N ALA A 15 6.026 -4.668 -1.352 1.00 0.00 N ATOM 224 CA ALA A 15 5.340 -3.386 -1.253 1.00 0.00 C ATOM 225 C ALA A 15 5.298 -2.932 0.204 1.00 0.00 C ATOM 226 O ALA A 15 5.510 -1.757 0.508 1.00 0.00 O ATOM 227 CB ALA A 15 3.913 -3.517 -1.834 1.00 0.00 C ATOM 0 H ALA A 15 5.477 -5.413 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 15 5.880 -2.634 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.400 -2.558 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.972 -3.817 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.359 -4.269 -1.272 1.00 0.00 H new ATOM 233 N PHE A 16 5.043 -3.872 1.099 1.00 0.00 N ATOM 234 CA PHE A 16 4.991 -3.562 2.517 1.00 0.00 C ATOM 235 C PHE A 16 6.313 -2.953 2.986 1.00 0.00 C ATOM 236 O PHE A 16 6.333 -1.916 3.650 1.00 0.00 O ATOM 237 CB PHE A 16 4.661 -4.855 3.306 1.00 0.00 C ATOM 238 CG PHE A 16 5.464 -4.927 4.590 1.00 0.00 C ATOM 239 CD1 PHE A 16 5.210 -4.036 5.639 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.501 -5.864 4.702 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.995 -4.082 6.795 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.275 -5.915 5.859 1.00 0.00 C ATOM 243 CZ PHE A 16 7.027 -5.025 6.902 1.00 0.00 C ATOM 0 H PHE A 16 4.870 -4.851 0.870 1.00 0.00 H new ATOM 0 HA PHE A 16 4.210 -2.824 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.596 -4.883 3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.876 -5.727 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.410 -3.315 5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.700 -6.547 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.807 -3.392 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.067 -6.644 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.632 -5.062 7.796 1.00 0.00 H new ATOM 253 N SER A 17 7.406 -3.611 2.648 1.00 0.00 N ATOM 254 CA SER A 17 8.722 -3.144 3.050 1.00 0.00 C ATOM 255 C SER A 17 8.977 -1.732 2.542 1.00 0.00 C ATOM 256 O SER A 17 9.679 -0.951 3.189 1.00 0.00 O ATOM 257 CB SER A 17 9.800 -4.088 2.511 1.00 0.00 C ATOM 258 OG SER A 17 10.999 -3.901 3.252 1.00 0.00 O ATOM 0 H SER A 17 7.410 -4.469 2.097 1.00 0.00 H new ATOM 0 HA SER A 17 8.760 -3.132 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.467 -5.123 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.977 -3.891 1.454 1.00 0.00 H new ATOM 0 HG SER A 17 11.692 -4.505 2.911 1.00 0.00 H new ATOM 264 N LEU A 18 8.420 -1.403 1.380 1.00 0.00 N ATOM 265 CA LEU A 18 8.619 -0.068 0.814 1.00 0.00 C ATOM 266 C LEU A 18 7.891 1.006 1.615 1.00 0.00 C ATOM 267 O LEU A 18 8.447 2.071 1.880 1.00 0.00 O ATOM 268 CB LEU A 18 8.119 -0.036 -0.632 1.00 0.00 C ATOM 269 CG LEU A 18 8.979 -0.960 -1.511 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.373 -1.032 -2.919 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.429 -0.434 -1.595 1.00 0.00 C ATOM 0 H LEU A 18 7.838 -2.026 0.820 1.00 0.00 H new ATOM 0 HA LEU A 18 9.687 0.144 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.076 -0.351 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.158 0.983 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 18 8.996 -1.955 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.981 -1.686 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.359 -1.427 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.348 -0.034 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.022 -1.101 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.429 0.566 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.861 -0.396 -0.595 1.00 0.00 H new ATOM 283 N PHE A 19 6.641 0.738 1.976 1.00 0.00 N ATOM 284 CA PHE A 19 5.853 1.714 2.724 1.00 0.00 C ATOM 285 C PHE A 19 6.317 1.817 4.173 1.00 0.00 C ATOM 286 O PHE A 19 6.434 2.910 4.709 1.00 0.00 O ATOM 287 CB PHE A 19 4.382 1.333 2.688 1.00 0.00 C ATOM 288 CG PHE A 19 3.946 1.136 1.257 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.989 2.205 0.351 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.504 -0.120 0.831 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.590 2.012 -0.977 1.00 0.00 C ATOM 292 CE2 PHE A 19 3.108 -0.313 -0.489 1.00 0.00 C ATOM 293 CZ PHE A 19 3.148 0.752 -1.398 1.00 0.00 C ATOM 0 H PHE A 19 6.155 -0.134 1.767 1.00 0.00 H new ATOM 0 HA PHE A 19 5.995 2.686 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.219 0.418 3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.782 2.113 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.330 3.177 0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.470 -0.944 1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.623 2.834 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.769 -1.286 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.838 0.601 -2.422 1.00 0.00 H new ATOM 303 N ASP A 20 6.560 0.678 4.814 1.00 0.00 N ATOM 304 CA ASP A 20 6.998 0.685 6.207 1.00 0.00 C ATOM 305 C ASP A 20 8.365 1.358 6.346 1.00 0.00 C ATOM 306 O ASP A 20 9.369 0.693 6.608 1.00 0.00 O ATOM 307 CB ASP A 20 7.086 -0.747 6.735 1.00 0.00 C ATOM 308 CG ASP A 20 7.239 -0.738 8.251 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.687 0.268 8.777 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.904 -1.739 8.866 1.00 0.00 O ATOM 0 H ASP A 20 6.463 -0.249 4.400 1.00 0.00 H new ATOM 0 HA ASP A 20 6.267 1.248 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.190 -1.302 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.933 -1.259 6.279 1.00 0.00 H new ATOM 315 N LYS A 21 8.399 2.680 6.162 1.00 0.00 N ATOM 316 CA LYS A 21 9.661 3.416 6.265 1.00 0.00 C ATOM 317 C LYS A 21 10.272 3.213 7.644 1.00 0.00 C ATOM 318 O LYS A 21 11.461 2.918 7.762 1.00 0.00 O ATOM 319 CB LYS A 21 9.443 4.917 6.021 1.00 0.00 C ATOM 320 CG LYS A 21 8.480 5.163 4.849 1.00 0.00 C ATOM 321 CD LYS A 21 8.908 4.387 3.593 1.00 0.00 C ATOM 322 CE LYS A 21 10.297 4.852 3.149 1.00 0.00 C ATOM 323 NZ LYS A 21 10.543 4.404 1.751 1.00 0.00 N ATOM 0 H LYS A 21 7.584 3.254 5.945 1.00 0.00 H new ATOM 0 HA LYS A 21 10.339 3.032 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.044 5.379 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.400 5.396 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.472 4.864 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.444 6.229 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.921 3.317 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.187 4.547 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.367 5.938 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.059 4.444 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.541 4.131 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.936 3.587 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.324 5.180 1.094 1.00 0.00 H new ATOM 337 N ASP A 22 9.473 3.399 8.685 1.00 0.00 N ATOM 338 CA ASP A 22 9.980 3.252 10.035 1.00 0.00 C ATOM 339 C ASP A 22 10.492 1.831 10.231 1.00 0.00 C ATOM 340 O ASP A 22 11.287 1.564 11.132 1.00 0.00 O ATOM 341 CB ASP A 22 8.849 3.546 11.021 1.00 0.00 C ATOM 342 CG ASP A 22 9.391 3.764 12.429 1.00 0.00 C ATOM 343 OD1 ASP A 22 10.591 3.951 12.565 1.00 0.00 O ATOM 344 OD2 ASP A 22 8.591 3.740 13.353 1.00 0.00 O ATOM 0 H ASP A 22 8.486 3.648 8.620 1.00 0.00 H new ATOM 0 HA ASP A 22 10.801 3.948 10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.302 4.431 10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.141 2.717 11.025 1.00 0.00 H new ATOM 349 N GLY A 23 10.061 0.929 9.351 1.00 0.00 N ATOM 350 CA GLY A 23 10.504 -0.460 9.404 1.00 0.00 C ATOM 351 C GLY A 23 10.167 -1.131 10.732 1.00 0.00 C ATOM 352 O GLY A 23 10.974 -1.890 11.266 1.00 0.00 O ATOM 0 H GLY A 23 9.408 1.136 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.039 -1.017 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.581 -0.501 9.243 1.00 0.00 H new ATOM 356 N ASP A 24 8.975 -0.862 11.266 1.00 0.00 N ATOM 357 CA ASP A 24 8.567 -1.473 12.540 1.00 0.00 C ATOM 358 C ASP A 24 7.644 -2.666 12.298 1.00 0.00 C ATOM 359 O ASP A 24 7.301 -3.389 13.231 1.00 0.00 O ATOM 360 CB ASP A 24 7.835 -0.454 13.413 1.00 0.00 C ATOM 361 CG ASP A 24 8.569 0.882 13.406 1.00 0.00 C ATOM 362 OD1 ASP A 24 9.216 1.176 12.420 1.00 0.00 O ATOM 363 OD2 ASP A 24 8.471 1.596 14.390 1.00 0.00 O ATOM 0 H ASP A 24 8.284 -0.238 10.849 1.00 0.00 H new ATOM 0 HA ASP A 24 9.470 -1.811 13.048 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.817 -0.318 13.047 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.760 -0.829 14.434 1.00 0.00 H new ATOM 368 N GLY A 25 7.233 -2.858 11.044 1.00 0.00 N ATOM 369 CA GLY A 25 6.334 -3.963 10.692 1.00 0.00 C ATOM 370 C GLY A 25 4.900 -3.472 10.515 1.00 0.00 C ATOM 371 O GLY A 25 3.968 -4.270 10.412 1.00 0.00 O ATOM 0 H GLY A 25 7.505 -2.268 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.676 -4.434 9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.367 -4.725 11.471 1.00 0.00 H new ATOM 375 N THR A 26 4.730 -2.151 10.482 1.00 0.00 N ATOM 376 CA THR A 26 3.411 -1.547 10.317 1.00 0.00 C ATOM 377 C THR A 26 3.499 -0.321 9.417 1.00 0.00 C ATOM 378 O THR A 26 4.524 0.360 9.385 1.00 0.00 O ATOM 379 CB THR A 26 2.862 -1.137 11.684 1.00 0.00 C ATOM 380 OG1 THR A 26 3.880 -0.449 12.414 1.00 0.00 O ATOM 381 CG2 THR A 26 2.397 -2.383 12.447 1.00 0.00 C ATOM 0 H THR A 26 5.492 -1.478 10.568 1.00 0.00 H new ATOM 0 HA THR A 26 2.745 -2.276 9.856 1.00 0.00 H new ATOM 0 HB THR A 26 2.009 -0.471 11.557 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.531 -0.183 13.290 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.006 -2.088 13.421 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.615 -2.886 11.879 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.239 -3.061 12.584 1.00 0.00 H new ATOM 389 N ILE A 27 2.408 -0.027 8.704 1.00 0.00 N ATOM 390 CA ILE A 27 2.361 1.138 7.824 1.00 0.00 C ATOM 391 C ILE A 27 1.417 2.178 8.418 1.00 0.00 C ATOM 392 O ILE A 27 0.405 1.829 9.025 1.00 0.00 O ATOM 393 CB ILE A 27 1.889 0.734 6.432 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.918 -0.193 5.787 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.719 1.981 5.569 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.301 -0.856 4.547 1.00 0.00 C ATOM 0 H ILE A 27 1.550 -0.579 8.720 1.00 0.00 H new ATOM 0 HA ILE A 27 3.361 1.563 7.736 1.00 0.00 H new ATOM 0 HB ILE A 27 0.935 0.214 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.807 0.372 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.235 -0.954 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.382 1.692 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.981 2.641 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.673 2.502 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.034 -1.518 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.425 -1.434 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.006 -0.088 3.833 1.00 0.00 H new ATOM 408 N THR A 28 1.753 3.453 8.252 1.00 0.00 N ATOM 409 CA THR A 28 0.925 4.534 8.787 1.00 0.00 C ATOM 410 C THR A 28 0.810 5.676 7.786 1.00 0.00 C ATOM 411 O THR A 28 1.564 5.751 6.814 1.00 0.00 O ATOM 412 CB THR A 28 1.525 5.050 10.103 1.00 0.00 C ATOM 413 OG1 THR A 28 0.822 6.213 10.519 1.00 0.00 O ATOM 414 CG2 THR A 28 3.002 5.390 9.907 1.00 0.00 C ATOM 0 H THR A 28 2.587 3.765 7.755 1.00 0.00 H new ATOM 0 HA THR A 28 -0.074 4.141 8.975 1.00 0.00 H new ATOM 0 HB THR A 28 1.436 4.275 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.203 6.542 11.360 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.419 5.755 10.846 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.542 4.497 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.100 6.161 9.142 1.00 0.00 H new ATOM 422 N THR A 29 -0.160 6.549 8.027 1.00 0.00 N ATOM 423 CA THR A 29 -0.405 7.683 7.143 1.00 0.00 C ATOM 424 C THR A 29 0.880 8.465 6.893 1.00 0.00 C ATOM 425 O THR A 29 1.150 8.888 5.776 1.00 0.00 O ATOM 426 CB THR A 29 -1.430 8.631 7.772 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.777 9.451 8.733 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.543 7.830 8.454 1.00 0.00 C ATOM 0 H THR A 29 -0.790 6.494 8.827 1.00 0.00 H new ATOM 0 HA THR A 29 -0.783 7.291 6.199 1.00 0.00 H new ATOM 0 HB THR A 29 -1.871 9.252 6.992 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.428 10.062 9.138 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.265 8.515 8.897 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.044 7.202 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.113 7.201 9.234 1.00 0.00 H new ATOM 436 N LYS A 30 1.654 8.674 7.949 1.00 0.00 N ATOM 437 CA LYS A 30 2.900 9.429 7.844 1.00 0.00 C ATOM 438 C LYS A 30 3.917 8.710 6.954 1.00 0.00 C ATOM 439 O LYS A 30 4.560 9.329 6.105 1.00 0.00 O ATOM 440 CB LYS A 30 3.485 9.626 9.242 1.00 0.00 C ATOM 441 CG LYS A 30 2.582 10.568 10.042 1.00 0.00 C ATOM 442 CD LYS A 30 3.051 10.626 11.501 1.00 0.00 C ATOM 443 CE LYS A 30 4.437 11.277 11.583 1.00 0.00 C ATOM 444 NZ LYS A 30 4.680 11.745 12.978 1.00 0.00 N ATOM 0 H LYS A 30 1.444 8.333 8.887 1.00 0.00 H new ATOM 0 HA LYS A 30 2.681 10.394 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.570 8.666 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.491 10.040 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.604 11.566 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.549 10.222 9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.338 11.194 12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.088 9.620 11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.205 10.562 11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.499 12.116 10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.619 12.187 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.953 12.440 13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.637 10.935 13.628 1.00 0.00 H new ATOM 458 N GLU A 31 4.052 7.404 7.153 1.00 0.00 N ATOM 459 CA GLU A 31 4.987 6.604 6.363 1.00 0.00 C ATOM 460 C GLU A 31 4.578 6.611 4.897 1.00 0.00 C ATOM 461 O GLU A 31 5.308 7.100 4.033 1.00 0.00 O ATOM 462 CB GLU A 31 5.017 5.161 6.894 1.00 0.00 C ATOM 463 CG GLU A 31 5.840 5.104 8.186 1.00 0.00 C ATOM 464 CD GLU A 31 5.792 3.702 8.779 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.247 2.830 8.132 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.294 3.524 9.877 1.00 0.00 O ATOM 0 H GLU A 31 3.529 6.876 7.851 1.00 0.00 H new ATOM 0 HA GLU A 31 5.983 7.037 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.002 4.811 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.450 4.497 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.873 5.385 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.451 5.825 8.906 1.00 0.00 H new ATOM 473 N LEU A 32 3.398 6.081 4.627 1.00 0.00 N ATOM 474 CA LEU A 32 2.892 6.042 3.268 1.00 0.00 C ATOM 475 C LEU A 32 2.711 7.455 2.725 1.00 0.00 C ATOM 476 O LEU A 32 3.049 7.732 1.575 1.00 0.00 O ATOM 477 CB LEU A 32 1.562 5.248 3.253 1.00 0.00 C ATOM 478 CG LEU A 32 0.564 5.775 2.173 1.00 0.00 C ATOM 479 CD1 LEU A 32 -0.302 4.617 1.642 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.343 6.885 2.765 1.00 0.00 C ATOM 0 H LEU A 32 2.776 5.674 5.326 1.00 0.00 H new ATOM 0 HA LEU A 32 3.608 5.539 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.773 4.195 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.095 5.309 4.236 1.00 0.00 H new ATOM 0 HG LEU A 32 1.139 6.197 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.994 4.996 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.340 3.858 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.866 4.177 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.031 7.240 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.911 6.482 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.275 7.714 3.110 1.00 0.00 H new ATOM 492 N GLY A 33 2.160 8.332 3.537 1.00 0.00 N ATOM 493 CA GLY A 33 1.924 9.690 3.095 1.00 0.00 C ATOM 494 C GLY A 33 3.209 10.306 2.578 1.00 0.00 C ATOM 495 O GLY A 33 3.216 10.977 1.547 1.00 0.00 O ATOM 0 H GLY A 33 1.870 8.133 4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.168 9.698 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.534 10.286 3.920 1.00 0.00 H new ATOM 499 N THR A 34 4.297 10.068 3.295 1.00 0.00 N ATOM 500 CA THR A 34 5.582 10.604 2.887 1.00 0.00 C ATOM 501 C THR A 34 5.937 10.083 1.501 1.00 0.00 C ATOM 502 O THR A 34 6.327 10.853 0.624 1.00 0.00 O ATOM 503 CB THR A 34 6.662 10.190 3.889 1.00 0.00 C ATOM 504 OG1 THR A 34 6.351 10.730 5.165 1.00 0.00 O ATOM 505 CG2 THR A 34 8.024 10.710 3.428 1.00 0.00 C ATOM 0 H THR A 34 4.315 9.514 4.151 1.00 0.00 H new ATOM 0 HA THR A 34 5.523 11.692 2.858 1.00 0.00 H new ATOM 0 HB THR A 34 6.699 9.102 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.979 10.026 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.789 10.412 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.261 10.292 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.994 11.797 3.360 1.00 0.00 H new ATOM 513 N VAL A 35 5.797 8.772 1.301 1.00 0.00 N ATOM 514 CA VAL A 35 6.101 8.166 0.010 1.00 0.00 C ATOM 515 C VAL A 35 5.217 8.763 -1.081 1.00 0.00 C ATOM 516 O VAL A 35 5.681 9.045 -2.183 1.00 0.00 O ATOM 517 CB VAL A 35 5.869 6.652 0.085 1.00 0.00 C ATOM 518 CG1 VAL A 35 6.224 6.000 -1.255 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.740 6.047 1.186 1.00 0.00 C ATOM 0 H VAL A 35 5.477 8.115 2.013 1.00 0.00 H new ATOM 0 HA VAL A 35 7.144 8.366 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 35 4.818 6.469 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.056 4.925 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.597 6.420 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.272 6.191 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.571 4.971 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.790 6.239 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.481 6.498 2.144 1.00 0.00 H new ATOM 529 N MET A 36 3.944 8.966 -0.764 1.00 0.00 N ATOM 530 CA MET A 36 3.014 9.542 -1.734 1.00 0.00 C ATOM 531 C MET A 36 3.422 10.971 -2.105 1.00 0.00 C ATOM 532 O MET A 36 3.348 11.361 -3.269 1.00 0.00 O ATOM 533 CB MET A 36 1.596 9.536 -1.160 1.00 0.00 C ATOM 534 CG MET A 36 1.120 8.089 -0.998 1.00 0.00 C ATOM 535 SD MET A 36 0.880 7.335 -2.629 1.00 0.00 S ATOM 536 CE MET A 36 -0.891 7.671 -2.782 1.00 0.00 C ATOM 0 H MET A 36 3.534 8.745 0.143 1.00 0.00 H new ATOM 0 HA MET A 36 3.042 8.934 -2.638 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.579 10.046 -0.197 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.922 10.081 -1.821 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.852 7.518 -0.427 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.187 8.064 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.162 7.724 -3.837 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.456 6.872 -2.302 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.124 8.620 -2.299 1.00 0.00 H new ATOM 546 N ARG A 37 3.851 11.745 -1.113 1.00 0.00 N ATOM 547 CA ARG A 37 4.262 13.127 -1.362 1.00 0.00 C ATOM 548 C ARG A 37 5.558 13.179 -2.177 1.00 0.00 C ATOM 549 O ARG A 37 5.642 13.887 -3.181 1.00 0.00 O ATOM 550 CB ARG A 37 4.440 13.871 -0.044 1.00 0.00 C ATOM 551 CG ARG A 37 4.727 15.341 -0.348 1.00 0.00 C ATOM 552 CD ARG A 37 4.651 16.137 0.942 1.00 0.00 C ATOM 553 NE ARG A 37 5.041 17.524 0.697 1.00 0.00 N ATOM 554 CZ ARG A 37 4.996 18.449 1.655 1.00 0.00 C ATOM 555 NH1 ARG A 37 4.593 18.136 2.860 1.00 0.00 N ATOM 556 NH2 ARG A 37 5.359 19.676 1.389 1.00 0.00 N ATOM 0 H ARG A 37 3.924 11.446 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 37 3.477 13.613 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.542 13.779 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.260 13.436 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.714 15.447 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.005 15.724 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.638 16.101 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.306 15.693 1.692 1.00 0.00 H new ATOM 0 HE ARG A 37 5.357 17.792 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.311 17.179 3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.561 18.849 3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.675 19.922 0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.326 20.387 2.119 1.00 0.00 H new ATOM 570 N SER A 38 6.567 12.438 -1.730 1.00 0.00 N ATOM 571 CA SER A 38 7.860 12.415 -2.412 1.00 0.00 C ATOM 572 C SER A 38 7.680 12.108 -3.894 1.00 0.00 C ATOM 573 O SER A 38 8.434 12.594 -4.736 1.00 0.00 O ATOM 574 CB SER A 38 8.770 11.362 -1.777 1.00 0.00 C ATOM 575 OG SER A 38 9.848 11.079 -2.659 1.00 0.00 O ATOM 0 H SER A 38 6.516 11.846 -0.901 1.00 0.00 H new ATOM 0 HA SER A 38 8.319 13.399 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.152 11.723 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.205 10.453 -1.571 1.00 0.00 H new ATOM 0 HG SER A 38 10.434 10.406 -2.254 1.00 0.00 H new ATOM 581 N LEU A 39 6.677 11.296 -4.203 1.00 0.00 N ATOM 582 CA LEU A 39 6.402 10.927 -5.587 1.00 0.00 C ATOM 583 C LEU A 39 5.867 12.117 -6.380 1.00 0.00 C ATOM 584 O LEU A 39 5.922 12.124 -7.608 1.00 0.00 O ATOM 585 CB LEU A 39 5.400 9.774 -5.622 1.00 0.00 C ATOM 586 CG LEU A 39 6.076 8.483 -5.121 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.999 7.455 -4.753 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.998 7.889 -6.209 1.00 0.00 C ATOM 0 H LEU A 39 6.043 10.882 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 39 7.336 10.610 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.538 10.010 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.030 9.632 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 39 6.679 8.724 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.475 6.541 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.362 7.861 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.394 7.232 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.464 6.978 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.410 7.656 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.771 8.613 -6.466 1.00 0.00 H new ATOM 600 N GLY A 40 5.374 13.138 -5.675 1.00 0.00 N ATOM 601 CA GLY A 40 4.861 14.339 -6.334 1.00 0.00 C ATOM 602 C GLY A 40 3.342 14.317 -6.442 1.00 0.00 C ATOM 603 O GLY A 40 2.767 14.963 -7.318 1.00 0.00 O ATOM 0 H GLY A 40 5.320 13.157 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.173 15.222 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.296 14.421 -7.330 1.00 0.00 H new ATOM 607 N GLN A 41 2.694 13.575 -5.550 1.00 0.00 N ATOM 608 CA GLN A 41 1.236 13.487 -5.562 1.00 0.00 C ATOM 609 C GLN A 41 0.619 14.690 -4.845 1.00 0.00 C ATOM 610 O GLN A 41 0.972 14.996 -3.704 1.00 0.00 O ATOM 611 CB GLN A 41 0.787 12.187 -4.898 1.00 0.00 C ATOM 612 CG GLN A 41 1.230 10.999 -5.757 1.00 0.00 C ATOM 613 CD GLN A 41 0.805 9.690 -5.103 1.00 0.00 C ATOM 614 OE1 GLN A 41 0.155 9.702 -4.057 1.00 0.00 O ATOM 615 NE2 GLN A 41 1.128 8.556 -5.663 1.00 0.00 N ATOM 0 H GLN A 41 3.148 13.031 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 41 0.894 13.493 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.217 12.108 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.297 12.181 -4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.791 11.076 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.312 11.016 -5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.666 8.550 -6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.842 7.676 -5.234 1.00 0.00 H new ATOM 624 N ASN A 42 -0.294 15.372 -5.535 1.00 0.00 N ATOM 625 CA ASN A 42 -0.958 16.562 -4.990 1.00 0.00 C ATOM 626 C ASN A 42 -1.519 16.290 -3.587 1.00 0.00 C ATOM 627 O ASN A 42 -1.396 15.178 -3.071 1.00 0.00 O ATOM 628 CB ASN A 42 -2.096 17.013 -5.946 1.00 0.00 C ATOM 629 CG ASN A 42 -1.947 16.332 -7.304 1.00 0.00 C ATOM 630 OD1 ASN A 42 -1.196 16.805 -8.157 1.00 0.00 O ATOM 631 ND2 ASN A 42 -2.617 15.239 -7.551 1.00 0.00 N ATOM 0 H ASN A 42 -0.594 15.122 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.220 17.360 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.065 16.766 -5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.069 18.096 -6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.519 14.774 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.238 14.850 -6.842 1.00 0.00 H new ATOM 638 N PRO A 43 -2.134 17.278 -2.967 1.00 0.00 N ATOM 639 CA PRO A 43 -2.726 17.119 -1.603 1.00 0.00 C ATOM 640 C PRO A 43 -3.827 16.057 -1.586 1.00 0.00 C ATOM 641 O PRO A 43 -4.963 16.319 -1.985 1.00 0.00 O ATOM 642 CB PRO A 43 -3.293 18.521 -1.274 1.00 0.00 C ATOM 643 CG PRO A 43 -2.613 19.457 -2.223 1.00 0.00 C ATOM 644 CD PRO A 43 -2.334 18.644 -3.484 1.00 0.00 C ATOM 0 HA PRO A 43 -1.992 16.781 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.375 18.548 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.089 18.794 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.246 20.317 -2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.688 19.844 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.167 18.691 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.452 19.008 -4.011 1.00 0.00 H new ATOM 652 N THR A 44 -3.483 14.863 -1.111 1.00 0.00 N ATOM 653 CA THR A 44 -4.445 13.766 -1.034 1.00 0.00 C ATOM 654 C THR A 44 -4.123 12.875 0.162 1.00 0.00 C ATOM 655 O THR A 44 -4.787 11.868 0.398 1.00 0.00 O ATOM 656 CB THR A 44 -4.414 12.949 -2.331 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.509 12.042 -2.340 1.00 0.00 O ATOM 658 CG2 THR A 44 -3.102 12.169 -2.427 1.00 0.00 C ATOM 0 H THR A 44 -2.549 14.630 -0.774 1.00 0.00 H new ATOM 0 HA THR A 44 -5.446 14.178 -0.905 1.00 0.00 H new ATOM 0 HB THR A 44 -4.488 13.624 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.053 12.178 -1.537 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.089 11.592 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.263 12.865 -2.422 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.017 11.493 -1.576 1.00 0.00 H new ATOM 666 N GLU A 45 -3.105 13.261 0.920 1.00 0.00 N ATOM 667 CA GLU A 45 -2.703 12.499 2.096 1.00 0.00 C ATOM 668 C GLU A 45 -3.886 12.332 3.049 1.00 0.00 C ATOM 669 O GLU A 45 -3.874 11.474 3.930 1.00 0.00 O ATOM 670 CB GLU A 45 -1.554 13.223 2.813 1.00 0.00 C ATOM 671 CG GLU A 45 -2.052 14.562 3.363 1.00 0.00 C ATOM 672 CD GLU A 45 -0.884 15.357 3.939 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.026 14.738 4.467 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.920 16.573 3.850 1.00 0.00 O ATOM 0 H GLU A 45 -2.544 14.094 0.743 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.366 11.512 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.172 12.605 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.727 13.387 2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.535 15.133 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.802 14.391 4.135 1.00 0.00 H new ATOM 681 N ALA A 46 -4.918 13.143 2.842 1.00 0.00 N ATOM 682 CA ALA A 46 -6.117 13.072 3.672 1.00 0.00 C ATOM 683 C ALA A 46 -6.927 11.826 3.330 1.00 0.00 C ATOM 684 O ALA A 46 -7.429 11.131 4.213 1.00 0.00 O ATOM 685 CB ALA A 46 -6.975 14.317 3.455 1.00 0.00 C ATOM 0 H ALA A 46 -4.950 13.854 2.111 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.813 13.020 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.868 14.257 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.403 15.205 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.267 14.379 2.407 1.00 0.00 H new ATOM 691 N GLU A 47 -7.045 11.555 2.037 1.00 0.00 N ATOM 692 CA GLU A 47 -7.789 10.397 1.568 1.00 0.00 C ATOM 693 C GLU A 47 -7.273 9.140 2.258 1.00 0.00 C ATOM 694 O GLU A 47 -8.047 8.346 2.789 1.00 0.00 O ATOM 695 CB GLU A 47 -7.616 10.265 0.043 1.00 0.00 C ATOM 696 CG GLU A 47 -8.646 11.135 -0.693 1.00 0.00 C ATOM 697 CD GLU A 47 -8.386 12.610 -0.413 1.00 0.00 C ATOM 698 OE1 GLU A 47 -7.295 12.926 0.035 1.00 0.00 O ATOM 699 OE2 GLU A 47 -9.283 13.403 -0.646 1.00 0.00 O ATOM 0 H GLU A 47 -6.634 12.122 1.295 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.846 10.522 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.608 10.566 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.734 9.223 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.592 10.946 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.653 10.869 -0.372 1.00 0.00 H new ATOM 706 N LEU A 48 -5.958 8.974 2.247 1.00 0.00 N ATOM 707 CA LEU A 48 -5.355 7.813 2.877 1.00 0.00 C ATOM 708 C LEU A 48 -5.624 7.819 4.384 1.00 0.00 C ATOM 709 O LEU A 48 -6.035 6.811 4.955 1.00 0.00 O ATOM 710 CB LEU A 48 -3.841 7.815 2.616 1.00 0.00 C ATOM 711 CG LEU A 48 -3.506 7.106 1.285 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.872 5.604 1.353 1.00 0.00 C ATOM 713 CD2 LEU A 48 -4.284 7.792 0.154 1.00 0.00 C ATOM 0 H LEU A 48 -5.298 9.620 1.815 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.797 6.912 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.475 8.841 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.326 7.316 3.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.435 7.178 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.627 5.126 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.308 5.128 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.939 5.498 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.057 7.302 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.353 7.721 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.995 8.841 0.098 1.00 0.00 H new ATOM 725 N GLN A 49 -5.375 8.958 5.015 1.00 0.00 N ATOM 726 CA GLN A 49 -5.578 9.077 6.455 1.00 0.00 C ATOM 727 C GLN A 49 -6.939 8.514 6.858 1.00 0.00 C ATOM 728 O GLN A 49 -7.046 7.729 7.801 1.00 0.00 O ATOM 729 CB GLN A 49 -5.495 10.554 6.860 1.00 0.00 C ATOM 730 CG GLN A 49 -4.033 10.996 6.929 1.00 0.00 C ATOM 731 CD GLN A 49 -3.951 12.517 6.984 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.978 13.194 7.000 1.00 0.00 O ATOM 733 NE2 GLN A 49 -2.782 13.096 7.012 1.00 0.00 N ATOM 0 H GLN A 49 -5.036 9.805 4.560 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.802 8.507 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.035 11.168 6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.974 10.702 7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.555 10.566 7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.491 10.625 6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.933 12.531 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.717 14.113 7.047 1.00 0.00 H new ATOM 742 N ASP A 50 -7.971 8.927 6.138 1.00 0.00 N ATOM 743 CA ASP A 50 -9.324 8.471 6.425 1.00 0.00 C ATOM 744 C ASP A 50 -9.507 6.998 6.058 1.00 0.00 C ATOM 745 O ASP A 50 -10.178 6.253 6.774 1.00 0.00 O ATOM 746 CB ASP A 50 -10.325 9.321 5.643 1.00 0.00 C ATOM 747 CG ASP A 50 -11.733 9.123 6.199 1.00 0.00 C ATOM 748 OD1 ASP A 50 -11.850 8.663 7.323 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.675 9.440 5.491 1.00 0.00 O ATOM 0 H ASP A 50 -7.899 9.575 5.353 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.498 8.577 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.046 10.373 5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.301 9.046 4.588 1.00 0.00 H new ATOM 754 N MET A 51 -8.917 6.582 4.938 1.00 0.00 N ATOM 755 CA MET A 51 -9.039 5.196 4.491 1.00 0.00 C ATOM 756 C MET A 51 -8.359 4.246 5.476 1.00 0.00 C ATOM 757 O MET A 51 -8.898 3.192 5.806 1.00 0.00 O ATOM 758 CB MET A 51 -8.396 5.047 3.114 1.00 0.00 C ATOM 759 CG MET A 51 -9.300 5.685 2.056 1.00 0.00 C ATOM 760 SD MET A 51 -8.385 5.868 0.505 1.00 0.00 S ATOM 761 CE MET A 51 -9.460 7.118 -0.244 1.00 0.00 C ATOM 0 H MET A 51 -8.356 7.178 4.330 1.00 0.00 H new ATOM 0 HA MET A 51 -10.097 4.941 4.437 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.416 5.524 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.240 3.993 2.886 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.184 5.067 1.898 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.649 6.658 2.401 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.956 7.564 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.388 6.650 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.683 7.893 0.490 1.00 0.00 H new ATOM 771 N ILE A 52 -7.173 4.629 5.950 1.00 0.00 N ATOM 772 CA ILE A 52 -6.446 3.796 6.900 1.00 0.00 C ATOM 773 C ILE A 52 -7.244 3.678 8.197 1.00 0.00 C ATOM 774 O ILE A 52 -7.381 2.592 8.759 1.00 0.00 O ATOM 775 CB ILE A 52 -5.041 4.382 7.177 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.109 4.019 6.004 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.483 3.813 8.493 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.739 4.685 6.166 1.00 0.00 C ATOM 0 H ILE A 52 -6.703 5.498 5.695 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.317 2.802 6.471 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.106 5.466 7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.988 2.937 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.562 4.334 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.494 4.231 8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.149 4.076 9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.410 2.728 8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.100 4.413 5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.862 5.768 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.279 4.349 7.095 1.00 0.00 H new ATOM 790 N ASN A 53 -7.762 4.803 8.662 1.00 0.00 N ATOM 791 CA ASN A 53 -8.538 4.830 9.895 1.00 0.00 C ATOM 792 C ASN A 53 -9.796 3.968 9.762 1.00 0.00 C ATOM 793 O ASN A 53 -10.269 3.396 10.743 1.00 0.00 O ATOM 794 CB ASN A 53 -8.924 6.276 10.230 1.00 0.00 C ATOM 795 CG ASN A 53 -7.727 7.017 10.824 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.444 8.153 10.440 1.00 0.00 O ATOM 797 ND2 ASN A 53 -7.003 6.440 11.746 1.00 0.00 N ATOM 0 H ASN A 53 -7.660 5.710 8.206 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.928 4.423 10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.267 6.786 9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.754 6.284 10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.204 6.930 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.237 5.500 12.064 1.00 0.00 H new ATOM 804 N GLU A 54 -10.345 3.903 8.552 1.00 0.00 N ATOM 805 CA GLU A 54 -11.560 3.124 8.313 1.00 0.00 C ATOM 806 C GLU A 54 -11.271 1.622 8.213 1.00 0.00 C ATOM 807 O GLU A 54 -11.863 0.822 8.938 1.00 0.00 O ATOM 808 CB GLU A 54 -12.232 3.601 7.022 1.00 0.00 C ATOM 809 CG GLU A 54 -13.552 2.849 6.819 1.00 0.00 C ATOM 810 CD GLU A 54 -14.279 3.387 5.592 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.659 4.113 4.830 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.444 3.065 5.428 1.00 0.00 O ATOM 0 H GLU A 54 -9.973 4.375 7.728 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.223 3.279 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.417 4.674 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.571 3.431 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.357 1.783 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.182 2.959 7.702 1.00 0.00 H new ATOM 819 N VAL A 55 -10.384 1.243 7.294 1.00 0.00 N ATOM 820 CA VAL A 55 -10.059 -0.171 7.088 1.00 0.00 C ATOM 821 C VAL A 55 -9.390 -0.789 8.317 1.00 0.00 C ATOM 822 O VAL A 55 -9.612 -1.964 8.616 1.00 0.00 O ATOM 823 CB VAL A 55 -9.144 -0.327 5.868 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.799 0.337 4.652 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.787 0.328 6.155 1.00 0.00 C ATOM 0 H VAL A 55 -9.881 1.887 6.684 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.996 -0.701 6.917 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.990 -1.386 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.150 0.227 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.758 -0.139 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.955 1.396 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.138 0.216 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.932 1.388 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.326 -0.154 7.017 1.00 0.00 H new ATOM 835 N ASP A 56 -8.574 -0.008 9.027 1.00 0.00 N ATOM 836 CA ASP A 56 -7.885 -0.520 10.218 1.00 0.00 C ATOM 837 C ASP A 56 -8.814 -1.410 11.044 1.00 0.00 C ATOM 838 O ASP A 56 -9.949 -1.035 11.342 1.00 0.00 O ATOM 839 CB ASP A 56 -7.391 0.645 11.078 1.00 0.00 C ATOM 840 CG ASP A 56 -6.720 0.118 12.343 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.683 -1.089 12.516 1.00 0.00 O ATOM 842 OD2 ASP A 56 -6.249 0.933 13.119 1.00 0.00 O ATOM 0 H ASP A 56 -8.374 0.967 8.805 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.034 -1.116 9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.687 1.253 10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.228 1.291 11.343 1.00 0.00 H new ATOM 847 N ALA A 57 -8.325 -2.598 11.393 1.00 0.00 N ATOM 848 CA ALA A 57 -9.116 -3.557 12.166 1.00 0.00 C ATOM 849 C ALA A 57 -9.005 -3.303 13.672 1.00 0.00 C ATOM 850 O ALA A 57 -9.992 -3.420 14.396 1.00 0.00 O ATOM 851 CB ALA A 57 -8.649 -4.981 11.849 1.00 0.00 C ATOM 0 H ALA A 57 -7.387 -2.920 11.154 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.161 -3.433 11.883 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.239 -5.694 12.425 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.779 -5.178 10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.596 -5.085 12.111 1.00 0.00 H new ATOM 857 N ASP A 58 -7.803 -2.967 14.141 1.00 0.00 N ATOM 858 CA ASP A 58 -7.587 -2.715 15.568 1.00 0.00 C ATOM 859 C ASP A 58 -7.877 -1.260 15.925 1.00 0.00 C ATOM 860 O ASP A 58 -8.104 -0.931 17.089 1.00 0.00 O ATOM 861 CB ASP A 58 -6.139 -3.042 15.943 1.00 0.00 C ATOM 862 CG ASP A 58 -5.904 -4.548 15.886 1.00 0.00 C ATOM 863 OD1 ASP A 58 -6.881 -5.280 15.858 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.751 -4.948 15.872 1.00 0.00 O ATOM 0 H ASP A 58 -6.970 -2.863 13.561 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.272 -3.354 16.125 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.456 -2.535 15.261 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.923 -2.671 16.945 1.00 0.00 H new ATOM 869 N GLY A 59 -7.849 -0.387 14.922 1.00 0.00 N ATOM 870 CA GLY A 59 -8.088 1.036 15.154 1.00 0.00 C ATOM 871 C GLY A 59 -6.818 1.703 15.673 1.00 0.00 C ATOM 872 O GLY A 59 -6.860 2.795 16.240 1.00 0.00 O ATOM 0 H GLY A 59 -7.665 -0.635 13.950 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.407 1.515 14.228 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.896 1.164 15.874 1.00 0.00 H new ATOM 876 N ASN A 60 -5.692 1.022 15.479 1.00 0.00 N ATOM 877 CA ASN A 60 -4.398 1.516 15.923 1.00 0.00 C ATOM 878 C ASN A 60 -3.956 2.685 15.061 1.00 0.00 C ATOM 879 O ASN A 60 -3.102 3.476 15.457 1.00 0.00 O ATOM 880 CB ASN A 60 -3.364 0.391 15.831 1.00 0.00 C ATOM 881 CG ASN A 60 -3.624 -0.653 16.914 1.00 0.00 C ATOM 882 OD1 ASN A 60 -4.316 -0.371 17.893 1.00 0.00 O ATOM 883 ND2 ASN A 60 -3.111 -1.847 16.797 1.00 0.00 N ATOM 0 H ASN A 60 -5.654 0.116 15.011 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.483 1.853 16.956 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.410 -0.076 14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.360 0.800 15.943 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.283 -2.549 17.517 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.538 -2.079 15.985 1.00 0.00 H new ATOM 890 N GLY A 61 -4.548 2.783 13.876 1.00 0.00 N ATOM 891 CA GLY A 61 -4.218 3.854 12.947 1.00 0.00 C ATOM 892 C GLY A 61 -3.155 3.410 11.947 1.00 0.00 C ATOM 893 O GLY A 61 -2.652 4.215 11.165 1.00 0.00 O ATOM 0 H GLY A 61 -5.258 2.134 13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.116 4.165 12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.860 4.722 13.501 1.00 0.00 H new ATOM 897 N THR A 62 -2.815 2.120 11.979 1.00 0.00 N ATOM 898 CA THR A 62 -1.803 1.573 11.074 1.00 0.00 C ATOM 899 C THR A 62 -2.325 0.323 10.375 1.00 0.00 C ATOM 900 O THR A 62 -3.284 -0.298 10.833 1.00 0.00 O ATOM 901 CB THR A 62 -0.548 1.220 11.869 1.00 0.00 C ATOM 902 OG1 THR A 62 -0.832 0.126 12.732 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.109 2.427 12.705 1.00 0.00 C ATOM 0 H THR A 62 -3.223 1.438 12.618 1.00 0.00 H new ATOM 0 HA THR A 62 -1.568 2.324 10.320 1.00 0.00 H new ATOM 0 HB THR A 62 0.253 0.948 11.181 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.028 -0.105 13.243 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.787 2.171 13.271 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.106 3.268 12.045 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.907 2.702 13.394 1.00 0.00 H new ATOM 911 N ILE A 63 -1.682 -0.045 9.265 1.00 0.00 N ATOM 912 CA ILE A 63 -2.082 -1.231 8.508 1.00 0.00 C ATOM 913 C ILE A 63 -1.082 -2.357 8.748 1.00 0.00 C ATOM 914 O ILE A 63 0.121 -2.184 8.544 1.00 0.00 O ATOM 915 CB ILE A 63 -2.137 -0.912 7.013 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.955 0.368 6.789 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.793 -2.076 6.266 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.310 0.263 7.492 1.00 0.00 C ATOM 0 H ILE A 63 -0.886 0.459 8.873 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.071 -1.542 8.843 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.125 -0.764 6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.406 1.229 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.103 0.531 5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.832 -1.849 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.210 -2.983 6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.805 -2.226 6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.879 1.178 7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.863 -0.587 7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.155 0.123 8.562 1.00 0.00 H new ATOM 930 N ASP A 64 -1.586 -3.504 9.194 1.00 0.00 N ATOM 931 CA ASP A 64 -0.734 -4.657 9.478 1.00 0.00 C ATOM 932 C ASP A 64 -0.604 -5.567 8.252 1.00 0.00 C ATOM 933 O ASP A 64 -1.112 -5.259 7.173 1.00 0.00 O ATOM 934 CB ASP A 64 -1.311 -5.433 10.667 1.00 0.00 C ATOM 935 CG ASP A 64 -1.007 -4.701 11.969 1.00 0.00 C ATOM 936 OD1 ASP A 64 0.154 -4.649 12.337 1.00 0.00 O ATOM 937 OD2 ASP A 64 -1.942 -4.210 12.581 1.00 0.00 O ATOM 0 H ASP A 64 -2.579 -3.661 9.367 1.00 0.00 H new ATOM 0 HA ASP A 64 0.266 -4.301 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.388 -5.547 10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.886 -6.436 10.697 1.00 0.00 H new ATOM 942 N PHE A 65 0.103 -6.678 8.435 1.00 0.00 N ATOM 943 CA PHE A 65 0.338 -7.644 7.362 1.00 0.00 C ATOM 944 C PHE A 65 -0.973 -8.093 6.677 1.00 0.00 C ATOM 945 O PHE A 65 -1.034 -8.193 5.449 1.00 0.00 O ATOM 946 CB PHE A 65 1.105 -8.878 7.953 1.00 0.00 C ATOM 947 CG PHE A 65 0.367 -10.183 7.664 1.00 0.00 C ATOM 948 CD1 PHE A 65 0.250 -10.636 6.345 1.00 0.00 C ATOM 949 CD2 PHE A 65 -0.225 -10.914 8.706 1.00 0.00 C ATOM 950 CE1 PHE A 65 -0.457 -11.811 6.064 1.00 0.00 C ATOM 951 CE2 PHE A 65 -0.929 -12.096 8.423 1.00 0.00 C ATOM 952 CZ PHE A 65 -1.048 -12.538 7.101 1.00 0.00 C ATOM 0 H PHE A 65 0.528 -6.935 9.326 1.00 0.00 H new ATOM 0 HA PHE A 65 0.939 -7.162 6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.107 -8.923 7.527 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.221 -8.755 9.030 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.707 -10.077 5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.139 -10.568 9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.546 -12.156 5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.378 -12.663 9.225 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.597 -13.442 6.882 1.00 0.00 H new ATOM 962 N PRO A 66 -1.987 -8.419 7.444 1.00 0.00 N ATOM 963 CA PRO A 66 -3.273 -8.947 6.902 1.00 0.00 C ATOM 964 C PRO A 66 -4.135 -7.870 6.252 1.00 0.00 C ATOM 965 O PRO A 66 -4.609 -8.032 5.129 1.00 0.00 O ATOM 966 CB PRO A 66 -3.985 -9.559 8.139 1.00 0.00 C ATOM 967 CG PRO A 66 -3.081 -9.318 9.322 1.00 0.00 C ATOM 968 CD PRO A 66 -2.040 -8.289 8.898 1.00 0.00 C ATOM 0 HA PRO A 66 -3.097 -9.670 6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.958 -9.094 8.295 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.160 -10.625 7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.654 -8.955 10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.600 -10.245 9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.329 -7.282 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.070 -8.492 9.353 1.00 0.00 H new ATOM 976 N GLU A 67 -4.341 -6.783 6.973 1.00 0.00 N ATOM 977 CA GLU A 67 -5.162 -5.695 6.471 1.00 0.00 C ATOM 978 C GLU A 67 -4.666 -5.240 5.110 1.00 0.00 C ATOM 979 O GLU A 67 -5.458 -4.973 4.207 1.00 0.00 O ATOM 980 CB GLU A 67 -5.113 -4.522 7.447 1.00 0.00 C ATOM 981 CG GLU A 67 -5.802 -4.922 8.750 1.00 0.00 C ATOM 982 CD GLU A 67 -5.705 -3.784 9.762 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.145 -2.756 9.415 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.184 -3.961 10.870 1.00 0.00 O ATOM 0 H GLU A 67 -3.953 -6.630 7.904 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.188 -6.049 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.079 -4.238 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.606 -3.652 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.848 -5.162 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.338 -5.821 9.156 1.00 0.00 H new ATOM 991 N PHE A 68 -3.352 -5.154 4.973 1.00 0.00 N ATOM 992 CA PHE A 68 -2.759 -4.721 3.712 1.00 0.00 C ATOM 993 C PHE A 68 -2.911 -5.804 2.651 1.00 0.00 C ATOM 994 O PHE A 68 -3.618 -5.629 1.657 1.00 0.00 O ATOM 995 CB PHE A 68 -1.273 -4.410 3.915 1.00 0.00 C ATOM 996 CG PHE A 68 -0.763 -3.591 2.754 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.525 -4.203 1.521 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.529 -2.220 2.912 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.055 -3.446 0.441 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.058 -1.464 1.838 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.179 -2.075 0.601 1.00 0.00 C ATOM 0 H PHE A 68 -2.680 -5.375 5.708 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.277 -3.823 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.129 -3.865 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.705 -5.337 3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.704 -5.261 1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.713 -1.747 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.127 -3.918 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.124 -0.407 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.542 -1.489 -0.230 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.245 -6.925 2.881 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.304 -8.042 1.957 1.00 0.00 C ATOM 1013 C LEU A 69 -3.748 -8.343 1.572 1.00 0.00 C ATOM 1014 O LEU A 69 -4.012 -8.889 0.501 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.642 -9.274 2.606 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.000 -10.578 1.840 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.808 -11.547 1.860 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.224 -11.269 2.490 1.00 0.00 C ATOM 0 H LEU A 69 -1.658 -7.083 3.700 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.764 -7.786 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.560 -9.143 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.966 -9.359 3.643 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.240 -10.313 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.070 -12.457 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.051 -11.077 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.559 -11.796 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.461 -12.180 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.993 -11.519 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.080 -10.595 2.461 1.00 0.00 H new ATOM 1030 N THR A 70 -4.684 -7.997 2.447 1.00 0.00 N ATOM 1031 CA THR A 70 -6.097 -8.256 2.188 1.00 0.00 C ATOM 1032 C THR A 70 -6.741 -7.149 1.352 1.00 0.00 C ATOM 1033 O THR A 70 -7.083 -7.356 0.187 1.00 0.00 O ATOM 1034 CB THR A 70 -6.826 -8.385 3.520 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.307 -9.502 4.230 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.321 -8.580 3.273 1.00 0.00 C ATOM 0 H THR A 70 -4.493 -7.539 3.338 1.00 0.00 H new ATOM 0 HA THR A 70 -6.175 -9.181 1.616 1.00 0.00 H new ATOM 0 HB THR A 70 -6.678 -7.478 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.703 -9.189 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.839 -8.672 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.715 -7.722 2.728 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.478 -9.485 2.687 1.00 0.00 H new ATOM 1044 N MET A 71 -6.929 -5.986 1.963 1.00 0.00 N ATOM 1045 CA MET A 71 -7.559 -4.860 1.277 1.00 0.00 C ATOM 1046 C MET A 71 -6.956 -4.626 -0.104 1.00 0.00 C ATOM 1047 O MET A 71 -7.575 -3.981 -0.950 1.00 0.00 O ATOM 1048 CB MET A 71 -7.466 -3.575 2.130 1.00 0.00 C ATOM 1049 CG MET A 71 -6.098 -2.875 1.968 1.00 0.00 C ATOM 1050 SD MET A 71 -6.099 -1.323 2.904 1.00 0.00 S ATOM 1051 CE MET A 71 -5.817 -2.022 4.545 1.00 0.00 C ATOM 0 H MET A 71 -6.657 -5.796 2.927 1.00 0.00 H new ATOM 0 HA MET A 71 -8.610 -5.114 1.140 1.00 0.00 H new ATOM 0 HB2 MET A 71 -8.262 -2.889 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.625 -3.823 3.179 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.300 -3.526 2.324 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.901 -2.677 0.914 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.642 -1.217 5.258 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.692 -2.594 4.852 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.947 -2.677 4.517 1.00 0.00 H new ATOM 1061 N MET A 72 -5.770 -5.180 -0.346 1.00 0.00 N ATOM 1062 CA MET A 72 -5.115 -5.039 -1.648 1.00 0.00 C ATOM 1063 C MET A 72 -5.503 -6.182 -2.598 1.00 0.00 C ATOM 1064 O MET A 72 -5.516 -6.011 -3.818 1.00 0.00 O ATOM 1065 CB MET A 72 -3.584 -4.963 -1.448 1.00 0.00 C ATOM 1066 CG MET A 72 -2.939 -6.359 -1.500 1.00 0.00 C ATOM 1067 SD MET A 72 -1.197 -6.220 -1.042 1.00 0.00 S ATOM 1068 CE MET A 72 -0.559 -5.875 -2.697 1.00 0.00 C ATOM 0 H MET A 72 -5.245 -5.727 0.336 1.00 0.00 H new ATOM 0 HA MET A 72 -5.454 -4.115 -2.115 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.146 -4.330 -2.220 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.364 -4.495 -0.489 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.454 -7.037 -0.820 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.033 -6.780 -2.501 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.523 -5.750 -2.651 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.801 -6.705 -3.361 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.014 -4.961 -3.079 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.761 -7.355 -2.025 1.00 0.00 N ATOM 1079 CA ALA A 73 -6.094 -8.541 -2.816 1.00 0.00 C ATOM 1080 C ALA A 73 -7.479 -8.438 -3.443 1.00 0.00 C ATOM 1081 O ALA A 73 -7.903 -9.333 -4.175 1.00 0.00 O ATOM 1082 CB ALA A 73 -6.033 -9.782 -1.924 1.00 0.00 C ATOM 0 H ALA A 73 -5.746 -7.512 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.366 -8.616 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.281 -10.665 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.028 -9.888 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.747 -9.678 -1.107 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.182 -7.350 -3.152 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.528 -7.138 -3.690 1.00 0.00 C ATOM 1090 C ARG A 74 -9.513 -6.047 -4.764 1.00 0.00 C ATOM 1091 O ARG A 74 -10.539 -5.743 -5.370 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.470 -6.745 -2.550 1.00 0.00 C ATOM 1093 CG ARG A 74 -9.845 -5.617 -1.724 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.888 -5.061 -0.752 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.966 -4.411 -1.486 1.00 0.00 N ATOM 1096 CZ ARG A 74 -13.104 -4.073 -0.885 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -13.277 -4.335 0.385 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -14.048 -3.482 -1.566 1.00 0.00 N ATOM 0 H ARG A 74 -7.847 -6.600 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.879 -8.062 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.430 -6.423 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.665 -7.608 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.981 -5.990 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.486 -4.825 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.291 -5.868 -0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.419 -4.348 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.846 -4.211 -2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.539 -4.799 0.915 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.150 -4.076 0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.912 -3.280 -2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.921 -3.222 -1.107 1.00 0.00 H new ATOM 1112 N LYS A 75 -8.336 -5.473 -4.992 1.00 0.00 N ATOM 1113 CA LYS A 75 -8.177 -4.423 -5.996 1.00 0.00 C ATOM 1114 C LYS A 75 -8.230 -5.002 -7.408 1.00 0.00 C ATOM 1115 O LYS A 75 -8.772 -4.385 -8.325 1.00 0.00 O ATOM 1116 CB LYS A 75 -6.841 -3.706 -5.781 1.00 0.00 C ATOM 1117 CG LYS A 75 -6.812 -3.057 -4.389 1.00 0.00 C ATOM 1118 CD LYS A 75 -7.571 -1.724 -4.399 1.00 0.00 C ATOM 1119 CE LYS A 75 -7.424 -1.048 -3.036 1.00 0.00 C ATOM 1120 NZ LYS A 75 -8.128 -1.855 -2.000 1.00 0.00 N ATOM 0 H LYS A 75 -7.478 -5.716 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.998 -3.714 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.019 -4.415 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.699 -2.946 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.259 -3.731 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.780 -2.892 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.180 -1.076 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.624 -1.894 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.369 -0.949 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.839 -0.041 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.340 -1.255 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.015 -2.228 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.521 -2.646 -1.705 1.00 0.00 H new ATOM 1134 N MET A 76 -7.653 -6.189 -7.575 1.00 0.00 N ATOM 1135 CA MET A 76 -7.631 -6.847 -8.878 1.00 0.00 C ATOM 1136 C MET A 76 -9.036 -7.260 -9.302 1.00 0.00 C ATOM 1137 O MET A 76 -9.754 -6.496 -9.946 1.00 0.00 O ATOM 1138 CB MET A 76 -6.751 -8.095 -8.810 1.00 0.00 C ATOM 1139 CG MET A 76 -5.299 -7.691 -8.564 1.00 0.00 C ATOM 1140 SD MET A 76 -4.262 -9.177 -8.515 1.00 0.00 S ATOM 1141 CE MET A 76 -4.868 -9.860 -6.947 1.00 0.00 C ATOM 0 H MET A 76 -7.196 -6.713 -6.828 1.00 0.00 H new ATOM 0 HA MET A 76 -7.231 -6.142 -9.607 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.096 -8.751 -8.011 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.829 -8.657 -9.740 1.00 0.00 H new ATOM 0 HG2 MET A 76 -4.957 -7.021 -9.353 1.00 0.00 H new ATOM 0 HG3 MET A 76 -5.216 -7.145 -7.624 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.108 -10.511 -6.516 1.00 0.00 H new ATOM 0 HE2 MET A 76 -5.084 -9.046 -6.255 1.00 0.00 H new ATOM 0 HE3 MET A 76 -5.777 -10.433 -7.127 1.00 0.00 H new ATOM 1151 N LYS A 77 -9.414 -8.480 -8.930 1.00 0.00 N ATOM 1152 CA LYS A 77 -10.730 -9.011 -9.264 1.00 0.00 C ATOM 1153 C LYS A 77 -11.141 -10.074 -8.247 1.00 0.00 C ATOM 1154 O LYS A 77 -12.105 -10.777 -8.505 1.00 0.00 O ATOM 1155 CB LYS A 77 -10.712 -9.615 -10.675 1.00 0.00 C ATOM 1156 CG LYS A 77 -9.620 -10.686 -10.763 1.00 0.00 C ATOM 1157 CD LYS A 77 -9.560 -11.243 -12.188 1.00 0.00 C ATOM 1158 CE LYS A 77 -8.426 -12.269 -12.301 1.00 0.00 C ATOM 1159 NZ LYS A 77 -8.679 -13.407 -11.376 1.00 0.00 N ATOM 1160 OXT LYS A 77 -10.484 -10.166 -7.222 1.00 0.00 O ATOM 0 H LYS A 77 -8.826 -9.120 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.454 -8.197 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.683 -10.052 -10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.530 -8.834 -11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.655 -10.260 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.827 -11.490 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.511 -11.709 -12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.400 -10.432 -12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.353 -12.632 -13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.473 -11.798 -12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.075 -14.211 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.462 -13.117 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.678 -13.690 -11.438 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -12.500 12.952 -7.723 1.00 0.00 N ATOM 1176 CA GLY B 45 -12.451 12.517 -6.299 1.00 0.00 C ATOM 1177 C GLY B 45 -12.448 10.993 -6.226 1.00 0.00 C ATOM 1178 O GLY B 45 -12.772 10.413 -5.190 1.00 0.00 O ATOM 0 HA2 GLY B 45 -11.558 12.915 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -13.309 12.915 -5.758 1.00 0.00 H new ATOM 1184 N THR B 46 -12.083 10.343 -7.332 1.00 0.00 N ATOM 1185 CA THR B 46 -12.050 8.884 -7.364 1.00 0.00 C ATOM 1186 C THR B 46 -11.104 8.344 -6.295 1.00 0.00 C ATOM 1187 O THR B 46 -11.521 7.611 -5.401 1.00 0.00 O ATOM 1188 CB THR B 46 -11.581 8.391 -8.736 1.00 0.00 C ATOM 1189 OG1 THR B 46 -10.256 8.844 -8.973 1.00 0.00 O ATOM 1190 CG2 THR B 46 -12.509 8.924 -9.831 1.00 0.00 C ATOM 0 H THR B 46 -11.810 10.797 -8.204 1.00 0.00 H new ATOM 0 HA THR B 46 -13.060 8.522 -7.170 1.00 0.00 H new ATOM 0 HB THR B 46 -11.604 7.301 -8.751 1.00 0.00 H new ATOM 0 HG1 THR B 46 -9.954 8.528 -9.850 1.00 0.00 H new ATOM 0 HG21 THR B 46 -12.167 8.568 -10.803 1.00 0.00 H new ATOM 0 HG22 THR B 46 -13.524 8.570 -9.652 1.00 0.00 H new ATOM 0 HG23 THR B 46 -12.497 10.014 -9.819 1.00 0.00 H new ATOM 1198 N GLY B 47 -9.828 8.719 -6.392 1.00 0.00 N ATOM 1199 CA GLY B 47 -8.823 8.272 -5.427 1.00 0.00 C ATOM 1200 C GLY B 47 -9.058 6.820 -5.013 1.00 0.00 C ATOM 1201 O GLY B 47 -8.942 5.902 -5.827 1.00 0.00 O ATOM 0 H GLY B 47 -9.467 9.329 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -7.828 8.372 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -8.852 8.913 -4.546 1.00 0.00 H new ATOM 1205 N ALA B 48 -9.397 6.629 -3.740 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.667 5.298 -3.195 1.00 0.00 C ATOM 1207 C ALA B 48 -8.791 4.221 -3.840 1.00 0.00 C ATOM 1208 O ALA B 48 -7.605 4.110 -3.536 1.00 0.00 O ATOM 1209 CB ALA B 48 -11.143 4.952 -3.395 1.00 0.00 C ATOM 0 H ALA B 48 -9.492 7.384 -3.061 1.00 0.00 H new ATOM 0 HA ALA B 48 -9.427 5.321 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -11.343 3.960 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.762 5.687 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.378 4.962 -4.459 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.393 3.414 -4.715 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.662 2.335 -5.377 1.00 0.00 C ATOM 1217 C ALA B 49 -7.509 2.883 -6.209 1.00 0.00 C ATOM 1218 O ALA B 49 -6.417 2.314 -6.223 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.611 1.546 -6.281 1.00 0.00 C ATOM 0 H ALA B 49 -10.375 3.486 -4.979 1.00 0.00 H new ATOM 0 HA ALA B 49 -8.253 1.680 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.062 0.743 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.416 1.121 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.033 2.211 -7.035 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.756 3.986 -6.901 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.728 4.600 -7.731 1.00 0.00 C ATOM 1227 C LEU B 50 -5.560 5.063 -6.868 1.00 0.00 C ATOM 1228 O LEU B 50 -4.398 4.862 -7.218 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.324 5.797 -8.481 1.00 0.00 C ATOM 1230 CG LEU B 50 -6.257 6.483 -9.352 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -5.678 5.489 -10.372 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -6.906 7.664 -10.088 1.00 0.00 C ATOM 0 H LEU B 50 -8.653 4.472 -6.905 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.364 3.864 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.152 5.464 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -7.732 6.513 -7.767 1.00 0.00 H new ATOM 0 HG LEU B 50 -5.444 6.838 -8.718 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -4.925 5.989 -10.980 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -5.221 4.652 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -6.477 5.120 -11.015 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -6.160 8.160 -10.710 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.718 7.299 -10.717 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -7.301 8.373 -9.361 1.00 0.00 H new ATOM 1244 N SER B 51 -5.881 5.687 -5.743 1.00 0.00 N ATOM 1245 CA SER B 51 -4.859 6.183 -4.832 1.00 0.00 C ATOM 1246 C SER B 51 -4.055 5.031 -4.246 1.00 0.00 C ATOM 1247 O SER B 51 -2.819 5.016 -4.303 1.00 0.00 O ATOM 1248 CB SER B 51 -5.527 6.957 -3.696 1.00 0.00 C ATOM 1249 OG SER B 51 -6.128 8.133 -4.220 1.00 0.00 O ATOM 0 H SER B 51 -6.839 5.862 -5.440 1.00 0.00 H new ATOM 0 HA SER B 51 -4.185 6.835 -5.387 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.279 6.336 -3.210 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.790 7.219 -2.936 1.00 0.00 H new ATOM 0 HG SER B 51 -6.559 8.631 -3.494 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.770 4.064 -3.690 1.00 0.00 N ATOM 1256 CA TRP B 52 -4.132 2.907 -3.087 1.00 0.00 C ATOM 1257 C TRP B 52 -3.311 2.153 -4.134 1.00 0.00 C ATOM 1258 O TRP B 52 -2.162 1.809 -3.892 1.00 0.00 O ATOM 1259 CB TRP B 52 -5.222 1.983 -2.479 1.00 0.00 C ATOM 1260 CG TRP B 52 -5.166 1.996 -0.980 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -6.226 2.211 -0.167 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -4.018 1.789 -0.109 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.801 2.143 1.148 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.447 1.884 1.237 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.659 1.527 -0.356 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.558 1.725 2.302 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.759 1.368 0.711 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -2.206 1.466 2.039 1.00 0.00 C ATOM 0 H TRP B 52 -5.789 4.059 -3.645 1.00 0.00 H new ATOM 0 HA TRP B 52 -3.457 3.233 -2.296 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -6.207 2.310 -2.812 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -5.084 0.965 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -7.238 2.404 -0.491 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.413 2.269 1.954 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -2.304 1.447 -1.373 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.910 1.801 3.320 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.717 1.169 0.509 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.510 1.342 2.855 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.915 1.904 -5.292 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.232 1.183 -6.363 1.00 0.00 C ATOM 1281 C GLN B 53 -2.055 1.989 -6.910 1.00 0.00 C ATOM 1282 O GLN B 53 -1.011 1.428 -7.251 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.219 0.874 -7.494 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.518 0.053 -8.580 1.00 0.00 C ATOM 1285 CD GLN B 53 -4.517 -0.349 -9.660 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -5.106 0.510 -10.317 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -4.744 -1.616 -9.886 1.00 0.00 N ATOM 0 H GLN B 53 -4.869 2.188 -5.513 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.844 0.251 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.074 0.323 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.604 1.802 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.708 0.635 -9.021 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.068 -0.837 -8.140 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.256 -2.327 -9.341 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.410 -1.894 -10.607 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.230 3.302 -7.002 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.178 4.170 -7.523 1.00 0.00 C ATOM 1298 C ALA B 54 0.080 4.083 -6.665 1.00 0.00 C ATOM 1299 O ALA B 54 1.197 4.169 -7.178 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.667 5.620 -7.570 1.00 0.00 C ATOM 0 H ALA B 54 -3.083 3.787 -6.725 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.934 3.835 -8.531 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -0.875 6.259 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.541 5.689 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -1.935 5.947 -6.565 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.102 3.918 -5.359 1.00 0.00 N ATOM 1307 CA ALA B 55 1.037 3.830 -4.449 1.00 0.00 C ATOM 1308 C ALA B 55 1.981 2.699 -4.862 1.00 0.00 C ATOM 1309 O ALA B 55 3.191 2.899 -4.974 1.00 0.00 O ATOM 1310 CB ALA B 55 0.538 3.583 -3.025 1.00 0.00 C ATOM 0 H ALA B 55 -1.015 3.843 -4.910 1.00 0.00 H new ATOM 0 HA ALA B 55 1.585 4.771 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.389 3.518 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.108 4.406 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.024 2.649 -2.993 1.00 0.00 H new ATOM 1316 N ILE B 56 1.422 1.514 -5.089 1.00 0.00 N ATOM 1317 CA ILE B 56 2.219 0.358 -5.494 1.00 0.00 C ATOM 1318 C ILE B 56 2.837 0.584 -6.870 1.00 0.00 C ATOM 1319 O ILE B 56 4.008 0.277 -7.097 1.00 0.00 O ATOM 1320 CB ILE B 56 1.333 -0.896 -5.517 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.961 -1.295 -4.079 1.00 0.00 C ATOM 1322 CG2 ILE B 56 2.074 -2.059 -6.188 1.00 0.00 C ATOM 1323 CD1 ILE B 56 0.012 -0.261 -3.462 1.00 0.00 C ATOM 0 H ILE B 56 0.423 1.328 -5.000 1.00 0.00 H new ATOM 0 HA ILE B 56 3.026 0.220 -4.774 1.00 0.00 H new ATOM 0 HB ILE B 56 0.429 -0.674 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.488 -2.277 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE B 56 1.863 -1.376 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.434 -2.941 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.330 -1.785 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.986 -2.278 -5.633 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.240 -0.560 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE B 56 0.499 0.714 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.898 -0.201 -4.059 1.00 0.00 H new ATOM 1335 N ASP B 57 2.037 1.109 -7.788 1.00 0.00 N ATOM 1336 CA ASP B 57 2.510 1.356 -9.143 1.00 0.00 C ATOM 1337 C ASP B 57 3.668 2.348 -9.137 1.00 0.00 C ATOM 1338 O ASP B 57 4.682 2.135 -9.802 1.00 0.00 O ATOM 1339 CB ASP B 57 1.363 1.908 -9.987 1.00 0.00 C ATOM 1340 CG ASP B 57 0.346 0.806 -10.270 1.00 0.00 C ATOM 1341 OD1 ASP B 57 0.683 -0.351 -10.078 1.00 0.00 O ATOM 1342 OD2 ASP B 57 -0.759 1.135 -10.667 1.00 0.00 O ATOM 0 H ASP B 57 1.065 1.370 -7.621 1.00 0.00 H new ATOM 0 HA ASP B 57 2.863 0.417 -9.569 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.881 2.734 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.750 2.307 -10.925 1.00 0.00 H new ATOM 1347 N ALA B 58 3.515 3.427 -8.379 1.00 0.00 N ATOM 1348 CA ALA B 58 4.559 4.438 -8.292 1.00 0.00 C ATOM 1349 C ALA B 58 5.777 3.890 -7.552 1.00 0.00 C ATOM 1350 O ALA B 58 6.916 4.146 -7.939 1.00 0.00 O ATOM 1351 CB ALA B 58 4.028 5.676 -7.569 1.00 0.00 C ATOM 0 H ALA B 58 2.685 3.623 -7.820 1.00 0.00 H new ATOM 0 HA ALA B 58 4.859 4.712 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.815 6.427 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.180 6.083 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.710 5.402 -6.563 1.00 0.00 H new ATOM 1357 N ALA B 59 5.527 3.132 -6.488 1.00 0.00 N ATOM 1358 CA ALA B 59 6.613 2.550 -5.709 1.00 0.00 C ATOM 1359 C ALA B 59 7.398 1.561 -6.561 1.00 0.00 C ATOM 1360 O ALA B 59 8.628 1.555 -6.551 1.00 0.00 O ATOM 1361 CB ALA B 59 6.047 1.833 -4.481 1.00 0.00 C ATOM 0 H ALA B 59 4.591 2.909 -6.149 1.00 0.00 H new ATOM 0 HA ALA B 59 7.280 3.349 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.864 1.400 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.503 2.546 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.370 1.041 -4.802 1.00 0.00 H new ATOM 1367 N ARG B 60 6.673 0.730 -7.302 1.00 0.00 N ATOM 1368 CA ARG B 60 7.301 -0.260 -8.160 1.00 0.00 C ATOM 1369 C ARG B 60 8.149 0.419 -9.229 1.00 0.00 C ATOM 1370 O ARG B 60 9.289 0.023 -9.473 1.00 0.00 O ATOM 1371 CB ARG B 60 6.222 -1.111 -8.834 1.00 0.00 C ATOM 1372 CG ARG B 60 6.849 -2.380 -9.447 1.00 0.00 C ATOM 1373 CD ARG B 60 6.863 -3.500 -8.403 1.00 0.00 C ATOM 1374 NE ARG B 60 5.492 -3.859 -8.074 1.00 0.00 N ATOM 1375 CZ ARG B 60 5.189 -4.516 -6.960 1.00 0.00 C ATOM 1376 NH1 ARG B 60 6.133 -4.912 -6.148 1.00 0.00 N ATOM 1377 NH2 ARG B 60 3.939 -4.769 -6.681 1.00 0.00 N ATOM 0 H ARG B 60 5.653 0.724 -7.324 1.00 0.00 H new ATOM 0 HA ARG B 60 7.945 -0.893 -7.549 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.460 -1.389 -8.106 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.724 -0.531 -9.611 1.00 0.00 H new ATOM 0 HG2 ARG B 60 6.280 -2.692 -10.323 1.00 0.00 H new ATOM 0 HG3 ARG B 60 7.864 -2.170 -9.784 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.397 -4.368 -8.790 1.00 0.00 H new ATOM 0 HD3 ARG B 60 7.392 -3.173 -7.508 1.00 0.00 H new ATOM 0 HE ARG B 60 4.743 -3.599 -8.716 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.110 -4.717 -6.368 1.00 0.00 H new ATOM 0 HH12 ARG B 60 5.893 -5.416 -5.294 1.00 0.00 H new ATOM 0 HH21 ARG B 60 3.202 -4.463 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG B 60 3.699 -5.273 -5.827 1.00 0.00 H new ATOM 1391 N GLN B 61 7.588 1.446 -9.861 1.00 0.00 N ATOM 1392 CA GLN B 61 8.309 2.172 -10.897 1.00 0.00 C ATOM 1393 C GLN B 61 9.502 2.895 -10.287 1.00 0.00 C ATOM 1394 O GLN B 61 10.587 2.925 -10.867 1.00 0.00 O ATOM 1395 CB GLN B 61 7.379 3.185 -11.576 1.00 0.00 C ATOM 1396 CG GLN B 61 8.127 3.893 -12.708 1.00 0.00 C ATOM 1397 CD GLN B 61 7.167 4.779 -13.498 1.00 0.00 C ATOM 1398 OE1 GLN B 61 5.950 4.604 -13.417 1.00 0.00 O ATOM 1399 NE2 GLN B 61 7.643 5.725 -14.263 1.00 0.00 N ATOM 0 H GLN B 61 6.646 1.790 -9.675 1.00 0.00 H new ATOM 0 HA GLN B 61 8.664 1.462 -11.644 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.499 2.678 -11.970 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.027 3.915 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.937 4.496 -12.298 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.582 3.156 -13.370 1.00 0.00 H new ATOM 0 HE21 GLN B 61 8.651 5.869 -14.329 1.00 0.00 H new ATOM 0 HE22 GLN B 61 7.007 6.320 -14.794 1.00 0.00 H new ATOM 1408 N ALA B 62 9.291 3.469 -9.108 1.00 0.00 N ATOM 1409 CA ALA B 62 10.353 4.187 -8.415 1.00 0.00 C ATOM 1410 C ALA B 62 11.493 3.239 -8.059 1.00 0.00 C ATOM 1411 O ALA B 62 12.666 3.583 -8.198 1.00 0.00 O ATOM 1412 CB ALA B 62 9.799 4.824 -7.140 1.00 0.00 C ATOM 0 H ALA B 62 8.399 3.451 -8.614 1.00 0.00 H new ATOM 0 HA ALA B 62 10.736 4.965 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.596 5.360 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.002 5.521 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.404 4.046 -6.487 1.00 0.00 H new ATOM 1418 N LYS B 63 11.138 2.039 -7.606 1.00 0.00 N ATOM 1419 CA LYS B 63 12.138 1.044 -7.238 1.00 0.00 C ATOM 1420 C LYS B 63 12.963 0.637 -8.457 1.00 0.00 C ATOM 1421 O LYS B 63 14.188 0.550 -8.390 1.00 0.00 O ATOM 1422 CB LYS B 63 11.449 -0.191 -6.647 1.00 0.00 C ATOM 1423 CG LYS B 63 12.503 -1.186 -6.157 1.00 0.00 C ATOM 1424 CD LYS B 63 11.812 -2.383 -5.503 1.00 0.00 C ATOM 1425 CE LYS B 63 12.868 -3.363 -4.992 1.00 0.00 C ATOM 1426 NZ LYS B 63 13.592 -3.956 -6.151 1.00 0.00 N ATOM 0 H LYS B 63 10.172 1.735 -7.486 1.00 0.00 H new ATOM 0 HA LYS B 63 12.804 1.480 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.801 0.103 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.814 -0.660 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.119 -1.520 -6.992 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.170 -0.703 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.182 -2.048 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.159 -2.877 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.569 -2.849 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS B 63 12.396 -4.149 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 14.068 -4.831 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 12.915 -4.172 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 14.300 -3.279 -6.501 1.00 0.00 H new ATOM 1440 N LEU B 64 12.278 0.382 -9.567 1.00 0.00 N ATOM 1441 CA LEU B 64 12.950 -0.026 -10.796 1.00 0.00 C ATOM 1442 C LEU B 64 13.874 1.080 -11.306 1.00 0.00 C ATOM 1443 O LEU B 64 14.998 0.812 -11.728 1.00 0.00 O ATOM 1444 CB LEU B 64 11.901 -0.360 -11.863 1.00 0.00 C ATOM 1445 CG LEU B 64 11.151 -1.649 -11.478 1.00 0.00 C ATOM 1446 CD1 LEU B 64 9.878 -1.766 -12.323 1.00 0.00 C ATOM 1447 CD2 LEU B 64 12.033 -2.891 -11.718 1.00 0.00 C ATOM 0 H LEU B 64 11.263 0.450 -9.641 1.00 0.00 H new ATOM 0 HA LEU B 64 13.556 -0.907 -10.586 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.196 0.465 -11.962 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.383 -0.486 -12.832 1.00 0.00 H new ATOM 0 HG LEU B 64 10.898 -1.599 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.345 -2.677 -12.053 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.238 -0.903 -12.139 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.144 -1.801 -13.379 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.481 -3.789 -11.439 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.305 -2.946 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU B 64 12.937 -2.818 -11.113 1.00 0.00 H new ATOM 1459 N MET B 65 13.394 2.318 -11.266 1.00 0.00 N ATOM 1460 CA MET B 65 14.190 3.450 -11.730 1.00 0.00 C ATOM 1461 C MET B 65 15.382 3.699 -10.807 1.00 0.00 C ATOM 1462 O MET B 65 16.472 4.039 -11.268 1.00 0.00 O ATOM 1463 CB MET B 65 13.318 4.702 -11.804 1.00 0.00 C ATOM 1464 CG MET B 65 12.315 4.552 -12.949 1.00 0.00 C ATOM 1465 SD MET B 65 11.243 6.009 -13.003 1.00 0.00 S ATOM 1466 CE MET B 65 12.515 7.219 -13.447 1.00 0.00 C ATOM 0 H MET B 65 12.466 2.563 -10.920 1.00 0.00 H new ATOM 0 HA MET B 65 14.572 3.215 -12.723 1.00 0.00 H new ATOM 0 HB2 MET B 65 12.792 4.849 -10.861 1.00 0.00 H new ATOM 0 HB3 MET B 65 13.940 5.583 -11.963 1.00 0.00 H new ATOM 0 HG2 MET B 65 12.842 4.439 -13.896 1.00 0.00 H new ATOM 0 HG3 MET B 65 11.717 3.652 -12.808 1.00 0.00 H new ATOM 0 HE1 MET B 65 12.059 8.039 -14.002 1.00 0.00 H new ATOM 0 HE2 MET B 65 12.979 7.608 -12.541 1.00 0.00 H new ATOM 0 HE3 MET B 65 13.273 6.739 -14.066 1.00 0.00 H new ATOM 1476 N GLY B 66 15.172 3.521 -9.505 1.00 0.00 N ATOM 1477 CA GLY B 66 16.241 3.723 -8.528 1.00 0.00 C ATOM 1478 C GLY B 66 16.384 5.195 -8.139 1.00 0.00 C ATOM 1479 O GLY B 66 17.363 5.580 -7.504 1.00 0.00 O ATOM 0 H GLY B 66 14.278 3.239 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.036 3.130 -7.637 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.183 3.363 -8.941 1.00 0.00 H new ATOM 1483 N SER B 67 15.401 6.013 -8.512 1.00 0.00 N ATOM 1484 CA SER B 67 15.439 7.439 -8.181 1.00 0.00 C ATOM 1485 C SER B 67 14.029 8.016 -8.120 1.00 0.00 C ATOM 1486 O SER B 67 13.083 7.428 -8.646 1.00 0.00 O ATOM 1487 CB SER B 67 16.256 8.203 -9.223 1.00 0.00 C ATOM 1488 OG SER B 67 15.760 7.909 -10.521 1.00 0.00 O ATOM 0 H SER B 67 14.577 5.719 -9.037 1.00 0.00 H new ATOM 0 HA SER B 67 15.908 7.547 -7.203 1.00 0.00 H new ATOM 0 HB2 SER B 67 16.196 9.275 -9.033 1.00 0.00 H new ATOM 0 HB3 SER B 67 17.307 7.925 -9.152 1.00 0.00 H new ATOM 0 HG SER B 67 16.282 8.400 -11.190 1.00 0.00 H new ATOM 1494 N ALA B 68 13.896 9.174 -7.477 1.00 0.00 N ATOM 1495 CA ALA B 68 12.598 9.828 -7.350 1.00 0.00 C ATOM 1496 C ALA B 68 11.507 8.815 -7.018 1.00 0.00 C ATOM 1497 O ALA B 68 10.354 9.101 -7.299 1.00 0.00 O ATOM 1498 CB ALA B 68 12.248 10.548 -8.655 1.00 0.00 C ATOM 1499 OXT ALA B 68 11.839 7.769 -6.485 1.00 0.00 O ATOM 0 H ALA B 68 14.668 9.676 -7.038 1.00 0.00 H new ATOM 0 HA ALA B 68 12.659 10.551 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA B 68 11.278 11.034 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA B 68 13.009 11.298 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA B 68 12.208 9.825 -9.470 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 6.118 2.057 12.504 1.00 0.00 CA HETATM 1507 CA CA A 102 -4.131 -2.400 12.534 1.00 0.00 CA