USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 761 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 45 GLN : amide:sc= -1 K(o=-3.9,f=-8.8!) USER MOD Set 1.2: A 60 HIS : no HE2:sc= -2.95 K(o=-3.9,f=-8.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0967 K(o=-0.097,f=-4.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 52:sc= 0.731 USER MOD Single : A 11 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0128) USER MOD Single : A 20 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.0069) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.7!) USER MOD Single : A 33 THR OG1 : rot 74:sc= 0.926 USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -0.664 (180deg=-1.75) USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= 0.147 (180deg=-0.0184) USER MOD Single : A 43 GLN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.429 K(o=0.43,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0224 (180deg=-0.162) USER MOD Single : A 59 CYS SG : rot 170:sc= -4.99! USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= -0.172 (180deg=-2.98!) USER MOD Single : A 69 TYR OH : rot 180:sc=-0.00957 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.588) USER MOD Single : A 83 SER OG : rot 170:sc= -0.114 USER MOD Single : A 84 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -11.409 -4.736 9.059 1.00 0.00 N ATOM 21 CA LEU A 2 -11.746 -4.737 7.640 1.00 0.00 C ATOM 22 C LEU A 2 -11.122 -5.935 6.930 1.00 0.00 C ATOM 23 O LEU A 2 -10.288 -6.641 7.498 1.00 0.00 O ATOM 24 CB LEU A 2 -11.278 -3.439 6.982 1.00 0.00 C ATOM 25 CG LEU A 2 -11.999 -2.174 7.460 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.020 -1.211 8.111 1.00 0.00 C ATOM 27 CD2 LEU A 2 -12.721 -1.500 6.302 1.00 0.00 C ATOM 0 HA LEU A 2 -12.830 -4.811 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.210 -3.321 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.409 -3.528 5.904 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.740 -2.464 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.553 -0.320 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.550 -1.694 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.254 -0.928 7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.227 -0.604 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.999 -1.226 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.455 -2.187 5.881 1.00 0.00 H new ATOM 39 N LYS A 3 -11.532 -6.155 5.687 1.00 0.00 N ATOM 40 CA LYS A 3 -11.016 -7.264 4.894 1.00 0.00 C ATOM 41 C LYS A 3 -9.901 -6.794 3.966 1.00 0.00 C ATOM 42 O LYS A 3 -9.872 -5.636 3.553 1.00 0.00 O ATOM 43 CB LYS A 3 -12.144 -7.897 4.078 1.00 0.00 C ATOM 44 CG LYS A 3 -11.882 -9.346 3.698 1.00 0.00 C ATOM 45 CD LYS A 3 -11.323 -9.459 2.289 1.00 0.00 C ATOM 46 CE LYS A 3 -12.291 -8.904 1.256 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.813 -9.969 0.357 1.00 0.00 N ATOM 0 H LYS A 3 -12.222 -5.579 5.205 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.606 -8.010 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.070 -7.842 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.296 -7.314 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.180 -9.788 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.809 -9.916 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.377 -8.921 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.110 -10.504 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.124 -8.417 1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.789 -8.141 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.469 -9.550 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.021 -10.417 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.314 -10.685 0.921 1.00 0.00 H new ATOM 61 N LEU A 4 -8.983 -7.699 3.640 1.00 0.00 N ATOM 62 CA LEU A 4 -7.867 -7.371 2.760 1.00 0.00 C ATOM 63 C LEU A 4 -7.936 -8.177 1.467 1.00 0.00 C ATOM 64 O LEU A 4 -8.337 -9.340 1.470 1.00 0.00 O ATOM 65 CB LEU A 4 -6.535 -7.631 3.466 1.00 0.00 C ATOM 66 CG LEU A 4 -5.291 -7.201 2.680 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.432 -6.257 3.509 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.485 -8.420 2.249 1.00 0.00 C ATOM 0 H LEU A 4 -8.990 -8.664 3.972 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.936 -6.312 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.540 -7.109 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.458 -8.696 3.684 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.617 -6.670 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.554 -5.964 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.011 -5.370 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.115 -6.761 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.606 -8.096 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.171 -8.979 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.101 -9.058 1.615 1.00 0.00 H new ATOM 80 N ASN A 5 -7.543 -7.549 0.365 1.00 0.00 N ATOM 81 CA ASN A 5 -7.559 -8.207 -0.937 1.00 0.00 C ATOM 82 C ASN A 5 -6.174 -8.176 -1.579 1.00 0.00 C ATOM 83 O ASN A 5 -5.216 -7.685 -0.983 1.00 0.00 O ATOM 84 CB ASN A 5 -8.579 -7.535 -1.858 1.00 0.00 C ATOM 85 CG ASN A 5 -9.406 -8.540 -2.636 1.00 0.00 C ATOM 86 OD1 ASN A 5 -8.866 -9.376 -3.360 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.723 -8.461 -2.490 1.00 0.00 N ATOM 0 H ASN A 5 -7.209 -6.585 0.346 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.846 -9.248 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.242 -6.906 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.058 -6.880 -2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.331 -9.110 -2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.127 -7.751 -1.879 1.00 0.00 H new ATOM 94 N LEU A 6 -6.080 -8.703 -2.794 1.00 0.00 N ATOM 95 CA LEU A 6 -4.812 -8.734 -3.516 1.00 0.00 C ATOM 96 C LEU A 6 -5.028 -8.474 -5.003 1.00 0.00 C ATOM 97 O LEU A 6 -5.714 -9.234 -5.684 1.00 0.00 O ATOM 98 CB LEU A 6 -4.123 -10.085 -3.315 1.00 0.00 C ATOM 99 CG LEU A 6 -3.169 -10.154 -2.119 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.354 -11.460 -1.361 1.00 0.00 C ATOM 101 CD2 LEU A 6 -1.726 -10.003 -2.577 1.00 0.00 C ATOM 0 H LEU A 6 -6.864 -9.114 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.173 -7.946 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.888 -10.852 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.566 -10.330 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.404 -9.330 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.667 -11.490 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.380 -11.528 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.148 -12.299 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.063 -10.055 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.479 -10.805 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.601 -9.041 -3.074 1.00 0.00 H new ATOM 113 N LYS A 7 -4.436 -7.392 -5.501 1.00 0.00 N ATOM 114 CA LYS A 7 -4.563 -7.029 -6.907 1.00 0.00 C ATOM 115 C LYS A 7 -3.379 -7.555 -7.713 1.00 0.00 C ATOM 116 O LYS A 7 -2.425 -8.095 -7.155 1.00 0.00 O ATOM 117 CB LYS A 7 -4.660 -5.510 -7.056 1.00 0.00 C ATOM 118 CG LYS A 7 -6.083 -4.980 -6.974 1.00 0.00 C ATOM 119 CD LYS A 7 -6.616 -4.593 -8.344 1.00 0.00 C ATOM 120 CE LYS A 7 -5.875 -3.393 -8.910 1.00 0.00 C ATOM 121 NZ LYS A 7 -6.514 -2.883 -10.155 1.00 0.00 N ATOM 0 H LYS A 7 -3.864 -6.752 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.475 -7.484 -7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.060 -5.038 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.227 -5.219 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.729 -5.738 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.112 -4.113 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.518 -5.438 -9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.679 -4.364 -8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.847 -2.598 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.842 -3.670 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.979 -2.065 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.518 -3.633 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.492 -2.595 -9.950 1.00 0.00 H new ATOM 135 N LYS A 8 -3.448 -7.389 -9.030 1.00 0.00 N ATOM 136 CA LYS A 8 -2.382 -7.846 -9.916 1.00 0.00 C ATOM 137 C LYS A 8 -1.166 -6.931 -9.818 1.00 0.00 C ATOM 138 O LYS A 8 -0.026 -7.396 -9.790 1.00 0.00 O ATOM 139 CB LYS A 8 -2.878 -7.902 -11.362 1.00 0.00 C ATOM 140 CG LYS A 8 -3.826 -9.057 -11.636 1.00 0.00 C ATOM 141 CD LYS A 8 -4.690 -8.792 -12.859 1.00 0.00 C ATOM 142 CE LYS A 8 -5.093 -10.086 -13.546 1.00 0.00 C ATOM 143 NZ LYS A 8 -5.949 -9.837 -14.740 1.00 0.00 N ATOM 0 H LYS A 8 -4.230 -6.942 -9.508 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.088 -8.848 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.381 -6.965 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.019 -7.982 -12.029 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.253 -9.972 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.464 -9.219 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.583 -8.242 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.145 -8.160 -13.561 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.198 -10.631 -13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.630 -10.720 -12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.203 -10.744 -15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.815 -9.339 -14.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.428 -9.253 -15.425 1.00 0.00 H new ATOM 157 N SER A 9 -1.416 -5.625 -9.767 1.00 0.00 N ATOM 158 CA SER A 9 -0.341 -4.645 -9.673 1.00 0.00 C ATOM 159 C SER A 9 0.382 -4.760 -8.334 1.00 0.00 C ATOM 160 O SER A 9 1.579 -4.493 -8.238 1.00 0.00 O ATOM 161 CB SER A 9 -0.897 -3.231 -9.846 1.00 0.00 C ATOM 162 OG SER A 9 -2.068 -3.044 -9.072 1.00 0.00 O ATOM 0 H SER A 9 -2.353 -5.223 -9.789 1.00 0.00 H new ATOM 0 HA SER A 9 0.374 -4.847 -10.471 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.142 -2.502 -9.551 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.120 -3.051 -10.898 1.00 0.00 H new ATOM 0 HG SER A 9 -1.893 -3.308 -8.145 1.00 0.00 H new ATOM 168 N PHE A 10 -0.354 -5.157 -7.302 1.00 0.00 N ATOM 169 CA PHE A 10 0.218 -5.309 -5.968 1.00 0.00 C ATOM 170 C PHE A 10 1.070 -6.570 -5.884 1.00 0.00 C ATOM 171 O PHE A 10 2.078 -6.605 -5.180 1.00 0.00 O ATOM 172 CB PHE A 10 -0.893 -5.359 -4.916 1.00 0.00 C ATOM 173 CG PHE A 10 -0.386 -5.279 -3.505 1.00 0.00 C ATOM 174 CD1 PHE A 10 0.186 -4.112 -3.025 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.482 -6.371 -2.658 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.653 -4.035 -1.727 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.017 -6.301 -1.359 1.00 0.00 C ATOM 178 CZ PHE A 10 0.552 -5.132 -0.892 1.00 0.00 C ATOM 0 H PHE A 10 -1.348 -5.379 -7.363 1.00 0.00 H new ATOM 0 HA PHE A 10 0.855 -4.447 -5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.586 -4.536 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.458 -6.283 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.268 -3.252 -3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.926 -7.288 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.096 -3.119 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.098 -7.160 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.917 -5.075 0.123 1.00 0.00 H new ATOM 188 N GLN A 11 0.659 -7.605 -6.611 1.00 0.00 N ATOM 189 CA GLN A 11 1.383 -8.870 -6.619 1.00 0.00 C ATOM 190 C GLN A 11 2.769 -8.697 -7.231 1.00 0.00 C ATOM 191 O GLN A 11 3.742 -9.292 -6.769 1.00 0.00 O ATOM 192 CB GLN A 11 0.598 -9.926 -7.398 1.00 0.00 C ATOM 193 CG GLN A 11 -0.508 -10.584 -6.589 1.00 0.00 C ATOM 194 CD GLN A 11 -1.174 -11.725 -7.333 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.380 -12.805 -6.780 1.00 0.00 O ATOM 196 NE2 GLN A 11 -1.516 -11.490 -8.595 1.00 0.00 N ATOM 0 H GLN A 11 -0.172 -7.591 -7.202 1.00 0.00 H new ATOM 0 HA GLN A 11 1.498 -9.201 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.162 -9.463 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.287 -10.695 -7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.095 -10.958 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.258 -9.837 -6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.326 -10.579 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.968 -12.220 -9.145 1.00 0.00 H new ATOM 205 N LYS A 12 2.852 -7.880 -8.277 1.00 0.00 N ATOM 206 CA LYS A 12 4.120 -7.632 -8.953 1.00 0.00 C ATOM 207 C LYS A 12 4.943 -6.580 -8.206 1.00 0.00 C ATOM 208 O LYS A 12 6.170 -6.553 -8.294 1.00 0.00 O ATOM 209 CB LYS A 12 3.876 -7.174 -10.392 1.00 0.00 C ATOM 210 CG LYS A 12 3.079 -5.881 -10.492 1.00 0.00 C ATOM 211 CD LYS A 12 3.581 -5.005 -11.628 1.00 0.00 C ATOM 212 CE LYS A 12 3.196 -3.549 -11.418 1.00 0.00 C ATOM 213 NZ LYS A 12 3.472 -2.722 -12.625 1.00 0.00 N ATOM 0 H LYS A 12 2.057 -7.379 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 12 4.682 -8.566 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.836 -7.039 -10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.346 -7.960 -10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.025 -6.113 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.150 -5.335 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.665 -5.089 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.168 -5.359 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.137 -3.486 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.748 -3.147 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.196 -1.736 -12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.487 -2.761 -12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.926 -3.090 -13.430 1.00 0.00 H new ATOM 227 N ASP A 13 4.254 -5.719 -7.471 1.00 0.00 N ATOM 228 CA ASP A 13 4.909 -4.665 -6.702 1.00 0.00 C ATOM 229 C ASP A 13 5.238 -5.140 -5.290 1.00 0.00 C ATOM 230 O ASP A 13 5.993 -4.493 -4.564 1.00 0.00 O ATOM 231 CB ASP A 13 4.016 -3.423 -6.638 1.00 0.00 C ATOM 232 CG ASP A 13 4.250 -2.482 -7.802 1.00 0.00 C ATOM 233 OD1 ASP A 13 5.419 -2.325 -8.214 1.00 0.00 O ATOM 234 OD2 ASP A 13 3.266 -1.898 -8.301 1.00 0.00 O ATOM 0 H ASP A 13 3.237 -5.728 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 13 5.842 -4.411 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.970 -3.731 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.201 -2.893 -5.703 1.00 0.00 H new ATOM 239 N PHE A 14 4.656 -6.269 -4.901 1.00 0.00 N ATOM 240 CA PHE A 14 4.879 -6.836 -3.581 1.00 0.00 C ATOM 241 C PHE A 14 6.038 -7.823 -3.597 1.00 0.00 C ATOM 242 O PHE A 14 7.036 -7.635 -2.911 1.00 0.00 O ATOM 243 CB PHE A 14 3.609 -7.530 -3.083 1.00 0.00 C ATOM 244 CG PHE A 14 3.740 -8.103 -1.700 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.449 -9.273 -1.486 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.152 -7.470 -0.615 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.571 -9.802 -0.215 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.270 -7.995 0.657 1.00 0.00 C ATOM 249 CZ PHE A 14 3.979 -9.163 0.858 1.00 0.00 C ATOM 0 H PHE A 14 4.022 -6.811 -5.488 1.00 0.00 H new ATOM 0 HA PHE A 14 5.133 -6.022 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.786 -6.815 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.347 -8.330 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.912 -9.778 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.596 -6.557 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.128 -10.714 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.808 -7.492 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.071 -9.576 1.852 1.00 0.00 H new ATOM 259 N ASP A 15 5.878 -8.889 -4.376 1.00 0.00 N ATOM 260 CA ASP A 15 6.891 -9.932 -4.485 1.00 0.00 C ATOM 261 C ASP A 15 7.877 -9.665 -5.619 1.00 0.00 C ATOM 262 O ASP A 15 9.083 -9.853 -5.454 1.00 0.00 O ATOM 263 CB ASP A 15 6.221 -11.291 -4.691 1.00 0.00 C ATOM 264 CG ASP A 15 6.892 -12.392 -3.891 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.571 -12.536 -2.692 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.738 -13.111 -4.464 1.00 0.00 O ATOM 0 H ASP A 15 5.048 -9.053 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 15 7.456 -9.934 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.172 -11.224 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.245 -11.548 -5.750 1.00 0.00 H new ATOM 271 N LYS A 16 7.367 -9.248 -6.778 1.00 0.00 N ATOM 272 CA LYS A 16 8.230 -8.990 -7.928 1.00 0.00 C ATOM 273 C LYS A 16 9.032 -7.707 -7.747 1.00 0.00 C ATOM 274 O LYS A 16 10.031 -7.492 -8.433 1.00 0.00 O ATOM 275 CB LYS A 16 7.412 -8.921 -9.216 1.00 0.00 C ATOM 276 CG LYS A 16 7.190 -10.276 -9.870 1.00 0.00 C ATOM 277 CD LYS A 16 6.157 -10.194 -10.982 1.00 0.00 C ATOM 278 CE LYS A 16 5.451 -11.525 -11.186 1.00 0.00 C ATOM 279 NZ LYS A 16 6.396 -12.598 -11.600 1.00 0.00 N ATOM 0 H LYS A 16 6.374 -9.084 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 16 8.932 -9.821 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.444 -8.469 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.918 -8.264 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.133 -10.645 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.862 -10.995 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.423 -9.425 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.643 -9.893 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.953 -11.817 -10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.676 -11.412 -11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.866 -13.471 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.903 -12.302 -12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.081 -12.771 -10.837 1.00 0.00 H new ATOM 293 N LEU A 17 8.605 -6.861 -6.814 1.00 0.00 N ATOM 294 CA LEU A 17 9.306 -5.618 -6.548 1.00 0.00 C ATOM 295 C LEU A 17 10.559 -5.906 -5.738 1.00 0.00 C ATOM 296 O LEU A 17 11.604 -5.289 -5.944 1.00 0.00 O ATOM 297 CB LEU A 17 8.397 -4.652 -5.790 1.00 0.00 C ATOM 298 CG LEU A 17 9.098 -3.440 -5.180 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.833 -2.651 -6.253 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.098 -2.556 -4.453 1.00 0.00 C ATOM 0 H LEU A 17 7.780 -7.016 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 17 9.589 -5.156 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.622 -4.299 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.896 -5.201 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 17 9.831 -3.795 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.326 -1.791 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.579 -3.289 -6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.121 -2.307 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.615 -1.697 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.340 -2.210 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.620 -3.126 -3.656 1.00 0.00 H new ATOM 312 N LEU A 18 10.443 -6.854 -4.816 1.00 0.00 N ATOM 313 CA LEU A 18 11.574 -7.232 -3.969 1.00 0.00 C ATOM 314 C LEU A 18 12.670 -7.900 -4.793 1.00 0.00 C ATOM 315 O LEU A 18 13.856 -7.758 -4.495 1.00 0.00 O ATOM 316 CB LEU A 18 11.122 -8.169 -2.848 1.00 0.00 C ATOM 317 CG LEU A 18 9.667 -8.003 -2.411 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.386 -8.818 -1.165 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.342 -6.533 -2.181 1.00 0.00 C ATOM 0 H LEU A 18 9.584 -7.374 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 18 11.977 -6.322 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.272 -9.198 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.765 -8.011 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 18 9.024 -8.373 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.345 -8.686 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.574 -9.872 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.037 -8.483 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.302 -6.435 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.992 -6.134 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.499 -5.977 -3.105 1.00 0.00 H new ATOM 331 N LEU A 19 12.267 -8.628 -5.828 1.00 0.00 N ATOM 332 CA LEU A 19 13.218 -9.317 -6.692 1.00 0.00 C ATOM 333 C LEU A 19 13.923 -8.331 -7.618 1.00 0.00 C ATOM 334 O LEU A 19 15.105 -8.489 -7.925 1.00 0.00 O ATOM 335 CB LEU A 19 12.506 -10.391 -7.517 1.00 0.00 C ATOM 336 CG LEU A 19 12.356 -11.745 -6.822 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.085 -12.443 -7.280 1.00 0.00 C ATOM 338 CD2 LEU A 19 13.573 -12.619 -7.090 1.00 0.00 C ATOM 0 H LEU A 19 11.289 -8.756 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 19 13.967 -9.794 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.515 -10.025 -7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.054 -10.536 -8.448 1.00 0.00 H new ATOM 0 HG LEU A 19 12.285 -11.575 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.996 -13.405 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.222 -11.824 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.125 -12.602 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.449 -13.579 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.675 -12.781 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.467 -12.124 -6.711 1.00 0.00 H new ATOM 350 N ASN A 20 13.191 -7.313 -8.058 1.00 0.00 N ATOM 351 CA ASN A 20 13.746 -6.298 -8.945 1.00 0.00 C ATOM 352 C ASN A 20 14.854 -5.509 -8.252 1.00 0.00 C ATOM 353 O ASN A 20 15.711 -4.919 -8.908 1.00 0.00 O ATOM 354 CB ASN A 20 12.642 -5.349 -9.419 1.00 0.00 C ATOM 355 CG ASN A 20 12.291 -5.553 -10.879 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.136 -5.797 -11.224 1.00 0.00 O ATOM 357 ND2 ASN A 20 13.292 -5.451 -11.747 1.00 0.00 N ATOM 0 H ASN A 20 12.211 -7.169 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 20 14.178 -6.803 -9.809 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.751 -5.500 -8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.962 -4.318 -9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.117 -5.577 -12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.235 -5.247 -11.416 1.00 0.00 H new ATOM 364 N GLY A 21 14.830 -5.503 -6.922 1.00 0.00 N ATOM 365 CA GLY A 21 15.838 -4.784 -6.164 1.00 0.00 C ATOM 366 C GLY A 21 15.237 -3.936 -5.059 1.00 0.00 C ATOM 367 O GLY A 21 15.666 -2.804 -4.834 1.00 0.00 O ATOM 0 H GLY A 21 14.130 -5.983 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.539 -5.497 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.409 -4.146 -6.838 1.00 0.00 H new ATOM 371 N PHE A 22 14.240 -4.482 -4.372 1.00 0.00 N ATOM 372 CA PHE A 22 13.576 -3.771 -3.287 1.00 0.00 C ATOM 373 C PHE A 22 13.625 -4.582 -1.996 1.00 0.00 C ATOM 374 O PHE A 22 13.542 -5.809 -2.018 1.00 0.00 O ATOM 375 CB PHE A 22 12.126 -3.476 -3.666 1.00 0.00 C ATOM 376 CG PHE A 22 11.405 -2.617 -2.669 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.897 -3.165 -1.503 1.00 0.00 C ATOM 378 CD2 PHE A 22 11.234 -1.260 -2.898 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.232 -2.378 -0.582 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.571 -0.467 -1.981 1.00 0.00 C ATOM 381 CZ PHE A 22 10.069 -1.027 -0.822 1.00 0.00 C ATOM 0 H PHE A 22 13.873 -5.417 -4.548 1.00 0.00 H new ATOM 0 HA PHE A 22 14.101 -2.831 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.107 -2.983 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.589 -4.418 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.022 -4.220 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.623 -0.818 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.841 -2.818 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.445 0.589 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.550 -0.409 -0.104 1.00 0.00 H new ATOM 391 N ASP A 23 13.762 -3.887 -0.871 1.00 0.00 N ATOM 392 CA ASP A 23 13.823 -4.544 0.431 1.00 0.00 C ATOM 393 C ASP A 23 12.474 -5.151 0.801 1.00 0.00 C ATOM 394 O ASP A 23 11.461 -4.453 0.856 1.00 0.00 O ATOM 395 CB ASP A 23 14.260 -3.548 1.507 1.00 0.00 C ATOM 396 CG ASP A 23 15.123 -4.192 2.575 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.689 -5.272 2.309 1.00 0.00 O ATOM 398 OD2 ASP A 23 15.230 -3.615 3.678 1.00 0.00 O ATOM 0 H ASP A 23 13.833 -2.870 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 23 14.556 -5.348 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.812 -2.732 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.377 -3.110 1.973 1.00 0.00 H new ATOM 403 N ASP A 24 12.467 -6.457 1.050 1.00 0.00 N ATOM 404 CA ASP A 24 11.244 -7.161 1.414 1.00 0.00 C ATOM 405 C ASP A 24 10.895 -6.938 2.884 1.00 0.00 C ATOM 406 O ASP A 24 9.730 -6.999 3.273 1.00 0.00 O ATOM 407 CB ASP A 24 11.393 -8.659 1.145 1.00 0.00 C ATOM 408 CG ASP A 24 12.578 -9.265 1.870 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.497 -8.507 2.242 1.00 0.00 O ATOM 410 OD2 ASP A 24 12.586 -10.498 2.066 1.00 0.00 O ATOM 0 H ASP A 24 13.296 -7.049 1.006 1.00 0.00 H new ATOM 0 HA ASP A 24 10.436 -6.761 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.482 -9.172 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.505 -8.823 0.073 1.00 0.00 H new ATOM 415 N SER A 25 11.917 -6.690 3.700 1.00 0.00 N ATOM 416 CA SER A 25 11.721 -6.470 5.130 1.00 0.00 C ATOM 417 C SER A 25 10.934 -5.187 5.394 1.00 0.00 C ATOM 418 O SER A 25 9.897 -5.212 6.056 1.00 0.00 O ATOM 419 CB SER A 25 13.071 -6.409 5.845 1.00 0.00 C ATOM 420 OG SER A 25 13.023 -7.093 7.087 1.00 0.00 O ATOM 0 H SER A 25 12.889 -6.636 3.395 1.00 0.00 H new ATOM 0 HA SER A 25 11.143 -7.308 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.841 -6.851 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.352 -5.369 6.010 1.00 0.00 H new ATOM 0 HG SER A 25 13.899 -7.041 7.523 1.00 0.00 H new ATOM 426 N VAL A 26 11.438 -4.069 4.880 1.00 0.00 N ATOM 427 CA VAL A 26 10.787 -2.775 5.069 1.00 0.00 C ATOM 428 C VAL A 26 9.298 -2.840 4.736 1.00 0.00 C ATOM 429 O VAL A 26 8.497 -2.085 5.286 1.00 0.00 O ATOM 430 CB VAL A 26 11.452 -1.682 4.209 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.298 -1.995 2.728 1.00 0.00 C ATOM 432 CG2 VAL A 26 10.870 -0.316 4.535 1.00 0.00 C ATOM 0 H VAL A 26 12.296 -4.032 4.329 1.00 0.00 H new ATOM 0 HA VAL A 26 10.901 -2.520 6.123 1.00 0.00 H new ATOM 0 HB VAL A 26 12.516 -1.663 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.774 -1.211 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.770 -2.952 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.239 -2.046 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.352 0.442 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.799 -0.320 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.041 -0.089 5.587 1.00 0.00 H new ATOM 442 N LEU A 27 8.935 -3.744 3.832 1.00 0.00 N ATOM 443 CA LEU A 27 7.541 -3.901 3.431 1.00 0.00 C ATOM 444 C LEU A 27 6.728 -4.571 4.537 1.00 0.00 C ATOM 445 O LEU A 27 5.545 -4.282 4.713 1.00 0.00 O ATOM 446 CB LEU A 27 7.449 -4.708 2.130 1.00 0.00 C ATOM 447 CG LEU A 27 7.132 -6.198 2.292 1.00 0.00 C ATOM 448 CD1 LEU A 27 5.629 -6.417 2.383 1.00 0.00 C ATOM 449 CD2 LEU A 27 7.717 -6.994 1.139 1.00 0.00 C ATOM 0 H LEU A 27 9.584 -4.377 3.364 1.00 0.00 H new ATOM 0 HA LEU A 27 7.121 -2.910 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.682 -4.259 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.395 -4.613 1.598 1.00 0.00 H new ATOM 0 HG LEU A 27 7.587 -6.548 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.423 -7.481 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.234 -5.876 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.152 -6.051 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.482 -8.050 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.290 -6.641 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.799 -6.863 1.118 1.00 0.00 H new ATOM 461 N ASN A 28 7.373 -5.468 5.278 1.00 0.00 N ATOM 462 CA ASN A 28 6.712 -6.180 6.365 1.00 0.00 C ATOM 463 C ASN A 28 6.093 -5.205 7.360 1.00 0.00 C ATOM 464 O ASN A 28 4.918 -5.321 7.709 1.00 0.00 O ATOM 465 CB ASN A 28 7.705 -7.096 7.081 1.00 0.00 C ATOM 466 CG ASN A 28 7.077 -8.407 7.515 1.00 0.00 C ATOM 467 OD1 ASN A 28 5.975 -8.751 7.086 1.00 0.00 O ATOM 468 ND2 ASN A 28 7.777 -9.144 8.369 1.00 0.00 N ATOM 0 H ASN A 28 8.353 -5.718 5.145 1.00 0.00 H new ATOM 0 HA ASN A 28 5.914 -6.786 5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.547 -7.301 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.104 -6.581 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.406 -10.036 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.686 -8.819 8.698 1.00 0.00 H new ATOM 475 N GLU A 29 6.890 -4.243 7.812 1.00 0.00 N ATOM 476 CA GLU A 29 6.421 -3.244 8.766 1.00 0.00 C ATOM 477 C GLU A 29 5.239 -2.459 8.203 1.00 0.00 C ATOM 478 O GLU A 29 4.437 -1.904 8.953 1.00 0.00 O ATOM 479 CB GLU A 29 7.556 -2.286 9.133 1.00 0.00 C ATOM 480 CG GLU A 29 8.533 -2.861 10.146 1.00 0.00 C ATOM 481 CD GLU A 29 9.689 -1.925 10.435 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.464 -0.890 11.098 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.821 -2.225 9.999 1.00 0.00 O ATOM 0 H GLU A 29 7.865 -4.134 7.533 1.00 0.00 H new ATOM 0 HA GLU A 29 6.090 -3.766 9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.100 -2.017 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.129 -1.367 9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.004 -3.077 11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.922 -3.809 9.773 1.00 0.00 H new ATOM 490 N VAL A 30 5.138 -2.416 6.878 1.00 0.00 N ATOM 491 CA VAL A 30 4.057 -1.696 6.215 1.00 0.00 C ATOM 492 C VAL A 30 2.758 -2.495 6.257 1.00 0.00 C ATOM 493 O VAL A 30 1.827 -2.150 6.984 1.00 0.00 O ATOM 494 CB VAL A 30 4.412 -1.384 4.748 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.259 -0.677 4.048 1.00 0.00 C ATOM 496 CG2 VAL A 30 5.684 -0.553 4.673 1.00 0.00 C ATOM 0 H VAL A 30 5.792 -2.872 6.242 1.00 0.00 H new ATOM 0 HA VAL A 30 3.919 -0.759 6.755 1.00 0.00 H new ATOM 0 HB VAL A 30 4.589 -2.327 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.534 -0.468 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.376 -1.316 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.040 0.259 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.920 -0.342 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.538 0.385 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.507 -1.106 5.126 1.00 0.00 H new ATOM 506 N ILE A 31 2.704 -3.564 5.470 1.00 0.00 N ATOM 507 CA ILE A 31 1.524 -4.420 5.411 1.00 0.00 C ATOM 508 C ILE A 31 1.054 -4.813 6.813 1.00 0.00 C ATOM 509 O ILE A 31 -0.127 -5.075 7.032 1.00 0.00 O ATOM 510 CB ILE A 31 1.808 -5.685 4.563 1.00 0.00 C ATOM 511 CG1 ILE A 31 1.442 -5.429 3.100 1.00 0.00 C ATOM 512 CG2 ILE A 31 1.056 -6.900 5.093 1.00 0.00 C ATOM 513 CD1 ILE A 31 2.345 -4.427 2.416 1.00 0.00 C ATOM 0 H ILE A 31 3.467 -3.860 4.861 1.00 0.00 H new ATOM 0 HA ILE A 31 0.725 -3.852 4.934 1.00 0.00 H new ATOM 0 HB ILE A 31 2.874 -5.902 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.480 -6.372 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.413 -5.073 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.281 -7.767 4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.364 -7.099 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.016 -6.704 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.026 -4.296 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.289 -3.471 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.372 -4.791 2.435 1.00 0.00 H new ATOM 525 N LEU A 32 1.990 -4.848 7.757 1.00 0.00 N ATOM 526 CA LEU A 32 1.675 -5.204 9.135 1.00 0.00 C ATOM 527 C LEU A 32 0.806 -4.131 9.789 1.00 0.00 C ATOM 528 O LEU A 32 -0.077 -4.436 10.592 1.00 0.00 O ATOM 529 CB LEU A 32 2.973 -5.403 9.932 1.00 0.00 C ATOM 530 CG LEU A 32 2.897 -5.063 11.423 1.00 0.00 C ATOM 531 CD1 LEU A 32 3.939 -5.852 12.203 1.00 0.00 C ATOM 532 CD2 LEU A 32 3.086 -3.567 11.637 1.00 0.00 C ATOM 0 H LEU A 32 2.973 -4.634 7.592 1.00 0.00 H new ATOM 0 HA LEU A 32 1.112 -6.138 9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.284 -6.443 9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.753 -4.792 9.478 1.00 0.00 H new ATOM 0 HG LEU A 32 1.910 -5.341 11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.871 -5.598 13.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.759 -6.919 12.074 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.934 -5.604 11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.029 -3.342 12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.061 -3.265 11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.304 -3.022 11.109 1.00 0.00 H new ATOM 544 N THR A 33 1.067 -2.876 9.447 1.00 0.00 N ATOM 545 CA THR A 33 0.318 -1.756 10.007 1.00 0.00 C ATOM 546 C THR A 33 -1.112 -1.717 9.474 1.00 0.00 C ATOM 547 O THR A 33 -2.017 -1.212 10.138 1.00 0.00 O ATOM 548 CB THR A 33 1.028 -0.440 9.687 1.00 0.00 C ATOM 549 OG1 THR A 33 2.363 -0.461 10.161 1.00 0.00 O ATOM 550 CG2 THR A 33 0.348 0.770 10.291 1.00 0.00 C ATOM 0 H THR A 33 1.793 -2.607 8.783 1.00 0.00 H new ATOM 0 HA THR A 33 0.271 -1.892 11.087 1.00 0.00 H new ATOM 0 HB THR A 33 0.995 -0.352 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.907 -1.033 9.580 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.903 1.670 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.670 0.845 9.907 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.320 0.668 11.376 1.00 0.00 H new ATOM 558 N LEU A 34 -1.310 -2.242 8.268 1.00 0.00 N ATOM 559 CA LEU A 34 -2.631 -2.251 7.647 1.00 0.00 C ATOM 560 C LEU A 34 -3.409 -3.518 7.995 1.00 0.00 C ATOM 561 O LEU A 34 -4.640 -3.506 8.037 1.00 0.00 O ATOM 562 CB LEU A 34 -2.498 -2.128 6.127 1.00 0.00 C ATOM 563 CG LEU A 34 -1.533 -1.043 5.647 1.00 0.00 C ATOM 564 CD1 LEU A 34 -1.542 -0.956 4.128 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.893 0.300 6.261 1.00 0.00 C ATOM 0 H LEU A 34 -0.574 -2.666 7.702 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.185 -1.397 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.169 -3.087 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.484 -1.928 5.706 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.527 -1.309 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.850 -0.179 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.236 -1.914 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.547 -0.713 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.196 1.060 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.907 0.574 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.835 0.231 7.347 1.00 0.00 H new ATOM 577 N ARG A 35 -2.693 -4.613 8.227 1.00 0.00 N ATOM 578 CA ARG A 35 -3.330 -5.885 8.553 1.00 0.00 C ATOM 579 C ARG A 35 -3.371 -6.137 10.058 1.00 0.00 C ATOM 580 O ARG A 35 -3.525 -7.279 10.495 1.00 0.00 O ATOM 581 CB ARG A 35 -2.601 -7.034 7.854 1.00 0.00 C ATOM 582 CG ARG A 35 -2.667 -6.956 6.338 1.00 0.00 C ATOM 583 CD ARG A 35 -2.965 -8.312 5.719 1.00 0.00 C ATOM 584 NE ARG A 35 -4.128 -8.951 6.331 1.00 0.00 N ATOM 585 CZ ARG A 35 -4.411 -10.247 6.212 1.00 0.00 C ATOM 586 NH1 ARG A 35 -3.621 -11.043 5.502 1.00 0.00 N ATOM 587 NH2 ARG A 35 -5.488 -10.747 6.801 1.00 0.00 N ATOM 0 H ARG A 35 -1.674 -4.646 8.196 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.359 -5.833 8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.556 -7.035 8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.032 -7.980 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.438 -6.244 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.720 -6.579 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.139 -8.192 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.095 -8.960 5.830 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.760 -8.370 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.792 -10.663 5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.842 -12.035 5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.100 -10.139 7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.705 -11.740 6.710 1.00 0.00 H new ATOM 601 N LYS A 36 -3.239 -5.079 10.852 1.00 0.00 N ATOM 602 CA LYS A 36 -3.271 -5.220 12.306 1.00 0.00 C ATOM 603 C LYS A 36 -4.392 -4.383 12.914 1.00 0.00 C ATOM 604 O LYS A 36 -5.249 -4.911 13.621 1.00 0.00 O ATOM 605 CB LYS A 36 -1.926 -4.809 12.907 1.00 0.00 C ATOM 606 CG LYS A 36 -0.943 -5.963 13.037 1.00 0.00 C ATOM 607 CD LYS A 36 -0.283 -5.984 14.407 1.00 0.00 C ATOM 608 CE LYS A 36 1.003 -5.174 14.418 1.00 0.00 C ATOM 609 NZ LYS A 36 0.803 -3.806 13.867 1.00 0.00 N ATOM 0 H LYS A 36 -3.110 -4.124 10.519 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.462 -6.268 12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.482 -4.031 12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.095 -4.373 13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.463 -6.906 12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.178 -5.879 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.973 -5.584 15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.068 -7.014 14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.378 -5.103 15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.764 -5.693 13.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.616 -3.208 14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.719 -3.858 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.066 -3.395 14.264 1.00 0.00 H new ATOM 623 N LYS A 37 -4.378 -3.080 12.622 1.00 0.00 N ATOM 624 CA LYS A 37 -5.391 -2.135 13.120 1.00 0.00 C ATOM 625 C LYS A 37 -4.812 -0.727 13.240 1.00 0.00 C ATOM 626 O LYS A 37 -5.553 0.256 13.276 1.00 0.00 O ATOM 627 CB LYS A 37 -5.946 -2.560 14.487 1.00 0.00 C ATOM 628 CG LYS A 37 -4.875 -2.813 15.536 1.00 0.00 C ATOM 629 CD LYS A 37 -5.413 -3.642 16.691 1.00 0.00 C ATOM 630 CE LYS A 37 -4.324 -4.497 17.319 1.00 0.00 C ATOM 631 NZ LYS A 37 -3.997 -5.683 16.481 1.00 0.00 N ATOM 0 H LYS A 37 -3.666 -2.647 12.034 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.204 -2.139 12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.621 -1.785 14.851 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.539 -3.466 14.362 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.031 -3.329 15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.501 -1.861 15.913 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.839 -2.982 17.446 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.220 -4.283 16.335 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.427 -3.895 17.462 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.646 -4.828 18.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.965 -5.799 16.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.421 -6.534 16.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.377 -5.546 15.523 1.00 0.00 H new ATOM 645 N GLU A 38 -3.487 -0.632 13.307 1.00 0.00 N ATOM 646 CA GLU A 38 -2.818 0.658 13.430 1.00 0.00 C ATOM 647 C GLU A 38 -3.073 1.527 12.198 1.00 0.00 C ATOM 648 O GLU A 38 -2.637 1.192 11.096 1.00 0.00 O ATOM 649 CB GLU A 38 -1.314 0.456 13.624 1.00 0.00 C ATOM 650 CG GLU A 38 -0.611 1.661 14.229 1.00 0.00 C ATOM 651 CD GLU A 38 0.700 1.978 13.538 1.00 0.00 C ATOM 652 OE1 GLU A 38 1.688 1.254 13.778 1.00 0.00 O ATOM 653 OE2 GLU A 38 0.738 2.953 12.757 1.00 0.00 O ATOM 0 H GLU A 38 -2.856 -1.433 13.278 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.226 1.170 14.301 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.152 -0.409 14.267 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.859 0.227 12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.268 2.528 14.169 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.424 1.475 15.287 1.00 0.00 H new ATOM 660 N PRO A 39 -3.781 2.659 12.365 1.00 0.00 N ATOM 661 CA PRO A 39 -4.082 3.569 11.255 1.00 0.00 C ATOM 662 C PRO A 39 -2.851 4.347 10.799 1.00 0.00 C ATOM 663 O PRO A 39 -1.761 4.176 11.342 1.00 0.00 O ATOM 664 CB PRO A 39 -5.125 4.516 11.848 1.00 0.00 C ATOM 665 CG PRO A 39 -4.837 4.524 13.310 1.00 0.00 C ATOM 666 CD PRO A 39 -4.340 3.143 13.642 1.00 0.00 C ATOM 0 HA PRO A 39 -4.427 3.036 10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.041 5.516 11.422 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.138 4.168 11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.089 5.278 13.556 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.733 4.765 13.883 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.584 3.167 14.427 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.147 2.501 13.996 1.00 0.00 H new ATOM 674 N LEU A 40 -3.036 5.202 9.799 1.00 0.00 N ATOM 675 CA LEU A 40 -1.940 6.007 9.271 1.00 0.00 C ATOM 676 C LEU A 40 -2.099 7.471 9.666 1.00 0.00 C ATOM 677 O LEU A 40 -3.212 7.996 9.707 1.00 0.00 O ATOM 678 CB LEU A 40 -1.872 5.878 7.749 1.00 0.00 C ATOM 679 CG LEU A 40 -1.462 4.497 7.234 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.685 3.618 7.030 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.669 4.623 5.942 1.00 0.00 C ATOM 0 H LEU A 40 -3.933 5.356 9.338 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.010 5.635 9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.848 6.128 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.165 6.615 7.368 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.824 4.026 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.373 2.640 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.210 3.500 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.350 4.083 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.386 3.631 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.281 5.115 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.229 5.214 6.122 1.00 0.00 H new ATOM 693 N ASP A 41 -0.979 8.125 9.959 1.00 0.00 N ATOM 694 CA ASP A 41 -0.995 9.529 10.353 1.00 0.00 C ATOM 695 C ASP A 41 -1.479 10.416 9.208 1.00 0.00 C ATOM 696 O ASP A 41 -1.412 10.029 8.042 1.00 0.00 O ATOM 697 CB ASP A 41 0.401 9.970 10.800 1.00 0.00 C ATOM 698 CG ASP A 41 0.626 9.761 12.284 1.00 0.00 C ATOM 699 OD1 ASP A 41 0.321 10.686 13.066 1.00 0.00 O ATOM 700 OD2 ASP A 41 1.106 8.673 12.664 1.00 0.00 O ATOM 0 H ASP A 41 -0.050 7.705 9.931 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.689 9.636 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.152 9.413 10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.541 11.024 10.559 1.00 0.00 H new ATOM 705 N PRO A 42 -1.976 11.623 9.530 1.00 0.00 N ATOM 706 CA PRO A 42 -2.473 12.567 8.524 1.00 0.00 C ATOM 707 C PRO A 42 -1.352 13.187 7.695 1.00 0.00 C ATOM 708 O PRO A 42 -1.608 13.856 6.695 1.00 0.00 O ATOM 709 CB PRO A 42 -3.175 13.637 9.360 1.00 0.00 C ATOM 710 CG PRO A 42 -2.487 13.595 10.681 1.00 0.00 C ATOM 711 CD PRO A 42 -2.091 12.160 10.900 1.00 0.00 C ATOM 0 HA PRO A 42 -3.121 12.079 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.087 14.621 8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.240 13.426 9.461 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.613 14.246 10.686 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.147 13.943 11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.149 12.082 11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.839 11.621 11.481 1.00 0.00 H new ATOM 719 N GLN A 43 -0.108 12.964 8.115 1.00 0.00 N ATOM 720 CA GLN A 43 1.043 13.504 7.403 1.00 0.00 C ATOM 721 C GLN A 43 1.615 12.481 6.425 1.00 0.00 C ATOM 722 O GLN A 43 2.772 12.583 6.015 1.00 0.00 O ATOM 723 CB GLN A 43 2.125 13.937 8.397 1.00 0.00 C ATOM 724 CG GLN A 43 2.506 12.852 9.391 1.00 0.00 C ATOM 725 CD GLN A 43 4.008 12.700 9.538 1.00 0.00 C ATOM 726 OE1 GLN A 43 4.546 12.793 10.641 1.00 0.00 O ATOM 727 NE2 GLN A 43 4.692 12.464 8.425 1.00 0.00 N ATOM 0 H GLN A 43 0.126 12.415 8.942 1.00 0.00 H new ATOM 0 HA GLN A 43 0.710 14.372 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.014 14.240 7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.775 14.813 8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.071 13.085 10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.078 11.903 9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.204 12.395 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.705 12.352 8.463 1.00 0.00 H new ATOM 736 N PHE A 44 0.800 11.498 6.054 1.00 0.00 N ATOM 737 CA PHE A 44 1.230 10.461 5.122 1.00 0.00 C ATOM 738 C PHE A 44 0.635 10.686 3.730 1.00 0.00 C ATOM 739 O PHE A 44 0.757 9.834 2.851 1.00 0.00 O ATOM 740 CB PHE A 44 0.823 9.079 5.643 1.00 0.00 C ATOM 741 CG PHE A 44 1.710 8.544 6.740 1.00 0.00 C ATOM 742 CD1 PHE A 44 2.664 9.348 7.349 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.584 7.228 7.160 1.00 0.00 C ATOM 744 CE1 PHE A 44 3.472 8.850 8.353 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.390 6.726 8.165 1.00 0.00 C ATOM 746 CZ PHE A 44 3.335 7.537 8.761 1.00 0.00 C ATOM 0 H PHE A 44 -0.160 11.398 6.384 1.00 0.00 H new ATOM 0 HA PHE A 44 2.316 10.512 5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.201 9.130 6.012 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.828 8.374 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.776 10.375 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.848 6.588 6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.210 9.486 8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.280 5.700 8.484 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.966 7.146 9.545 1.00 0.00 H new ATOM 756 N GLN A 45 -0.007 11.836 3.536 1.00 0.00 N ATOM 757 CA GLN A 45 -0.615 12.163 2.251 1.00 0.00 C ATOM 758 C GLN A 45 -1.665 11.126 1.867 1.00 0.00 C ATOM 759 O GLN A 45 -1.806 10.773 0.695 1.00 0.00 O ATOM 760 CB GLN A 45 0.457 12.250 1.163 1.00 0.00 C ATOM 761 CG GLN A 45 1.393 13.437 1.325 1.00 0.00 C ATOM 762 CD GLN A 45 2.802 13.022 1.704 1.00 0.00 C ATOM 763 OE1 GLN A 45 3.577 12.573 0.858 1.00 0.00 O ATOM 764 NE2 GLN A 45 3.141 13.169 2.979 1.00 0.00 N ATOM 0 H GLN A 45 -0.119 12.555 4.251 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.105 13.132 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.044 11.332 1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.029 12.312 0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.423 14.001 0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.997 14.105 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.467 13.545 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.075 12.906 3.292 1.00 0.00 H new ATOM 773 N ASP A 46 -2.402 10.640 2.861 1.00 0.00 N ATOM 774 CA ASP A 46 -3.440 9.643 2.628 1.00 0.00 C ATOM 775 C ASP A 46 -4.708 10.295 2.086 1.00 0.00 C ATOM 776 O ASP A 46 -5.457 10.929 2.828 1.00 0.00 O ATOM 777 CB ASP A 46 -3.752 8.890 3.922 1.00 0.00 C ATOM 778 CG ASP A 46 -4.244 9.811 5.023 1.00 0.00 C ATOM 779 OD1 ASP A 46 -3.928 11.019 4.972 1.00 0.00 O ATOM 780 OD2 ASP A 46 -4.944 9.324 5.936 1.00 0.00 O ATOM 0 H ASP A 46 -2.299 10.921 3.836 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.071 8.936 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.507 8.130 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.857 8.369 4.261 1.00 0.00 H new ATOM 785 N HIS A 47 -4.941 10.134 0.787 1.00 0.00 N ATOM 786 CA HIS A 47 -6.119 10.706 0.146 1.00 0.00 C ATOM 787 C HIS A 47 -6.288 10.159 -1.268 1.00 0.00 C ATOM 788 O HIS A 47 -5.458 9.389 -1.750 1.00 0.00 O ATOM 789 CB HIS A 47 -6.013 12.232 0.107 1.00 0.00 C ATOM 790 CG HIS A 47 -4.712 12.730 -0.444 1.00 0.00 C ATOM 791 ND1 HIS A 47 -4.400 12.698 -1.787 1.00 0.00 N ATOM 792 CD2 HIS A 47 -3.640 13.275 0.178 1.00 0.00 C ATOM 793 CE1 HIS A 47 -3.193 13.202 -1.967 1.00 0.00 C ATOM 794 NE2 HIS A 47 -2.710 13.560 -0.792 1.00 0.00 N ATOM 0 H HIS A 47 -4.330 9.613 0.159 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.994 10.425 0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.829 12.629 -0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.144 12.623 1.116 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -5.006 12.341 -2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.536 13.452 1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.687 13.304 -2.915 1.00 0.00 H new ATOM 803 N ALA A 48 -7.368 10.564 -1.928 1.00 0.00 N ATOM 804 CA ALA A 48 -7.647 10.115 -3.287 1.00 0.00 C ATOM 805 C ALA A 48 -6.662 10.727 -4.278 1.00 0.00 C ATOM 806 O ALA A 48 -6.192 11.849 -4.089 1.00 0.00 O ATOM 807 CB ALA A 48 -9.075 10.465 -3.675 1.00 0.00 C ATOM 0 H ALA A 48 -8.064 11.202 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.529 9.032 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.270 10.124 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.768 9.977 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.212 11.545 -3.622 1.00 0.00 H new ATOM 813 N LEU A 49 -6.356 9.981 -5.336 1.00 0.00 N ATOM 814 CA LEU A 49 -5.428 10.452 -6.358 1.00 0.00 C ATOM 815 C LEU A 49 -6.182 11.054 -7.539 1.00 0.00 C ATOM 816 O LEU A 49 -7.412 11.077 -7.556 1.00 0.00 O ATOM 817 CB LEU A 49 -4.537 9.304 -6.834 1.00 0.00 C ATOM 818 CG LEU A 49 -3.622 8.707 -5.761 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.520 7.197 -5.924 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.243 9.345 -5.823 1.00 0.00 C ATOM 0 H LEU A 49 -6.736 9.050 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.802 11.228 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.172 8.512 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.920 9.661 -7.659 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.056 8.917 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.866 6.791 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.511 6.753 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.110 6.964 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.606 8.909 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.803 9.165 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.331 10.419 -5.656 1.00 0.00 H new ATOM 832 N LYS A 50 -5.436 11.541 -8.524 1.00 0.00 N ATOM 833 CA LYS A 50 -6.034 12.147 -9.710 1.00 0.00 C ATOM 834 C LYS A 50 -5.768 11.299 -10.950 1.00 0.00 C ATOM 835 O LYS A 50 -5.111 10.260 -10.876 1.00 0.00 O ATOM 836 CB LYS A 50 -5.485 13.559 -9.917 1.00 0.00 C ATOM 837 CG LYS A 50 -3.993 13.594 -10.206 1.00 0.00 C ATOM 838 CD LYS A 50 -3.494 15.017 -10.388 1.00 0.00 C ATOM 839 CE LYS A 50 -3.638 15.826 -9.109 1.00 0.00 C ATOM 840 NZ LYS A 50 -2.523 16.799 -8.939 1.00 0.00 N ATOM 0 H LYS A 50 -4.416 11.529 -8.526 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.112 12.201 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.018 14.030 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.688 14.153 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.452 13.119 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.782 13.016 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.448 15.000 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.053 15.500 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.588 16.361 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.665 15.151 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.658 17.331 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.618 16.287 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.513 17.459 -9.742 1.00 0.00 H new ATOM 854 N GLY A 51 -6.282 11.751 -12.089 1.00 0.00 N ATOM 855 CA GLY A 51 -6.089 11.025 -13.330 1.00 0.00 C ATOM 856 C GLY A 51 -6.803 9.689 -13.340 1.00 0.00 C ATOM 857 O GLY A 51 -7.886 9.551 -12.772 1.00 0.00 O ATOM 0 H GLY A 51 -6.829 12.608 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.449 11.631 -14.161 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.023 10.864 -13.491 1.00 0.00 H new ATOM 861 N LYS A 52 -6.193 8.700 -13.988 1.00 0.00 N ATOM 862 CA LYS A 52 -6.778 7.365 -14.071 1.00 0.00 C ATOM 863 C LYS A 52 -6.975 6.763 -12.680 1.00 0.00 C ATOM 864 O LYS A 52 -7.773 5.841 -12.502 1.00 0.00 O ATOM 865 CB LYS A 52 -5.889 6.450 -14.915 1.00 0.00 C ATOM 866 CG LYS A 52 -6.279 6.412 -16.384 1.00 0.00 C ATOM 867 CD LYS A 52 -7.722 5.969 -16.565 1.00 0.00 C ATOM 868 CE LYS A 52 -7.964 5.413 -17.959 1.00 0.00 C ATOM 869 NZ LYS A 52 -8.490 6.451 -18.887 1.00 0.00 N ATOM 0 H LYS A 52 -5.295 8.798 -14.462 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.755 7.454 -14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.855 6.783 -14.830 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.933 5.439 -14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.143 7.400 -16.824 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.618 5.731 -16.920 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.966 5.210 -15.822 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.388 6.814 -16.389 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.032 5.010 -18.356 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.671 4.585 -17.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.642 6.032 -19.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.392 6.818 -18.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.804 7.229 -18.962 1.00 0.00 H new ATOM 883 N TRP A 53 -6.247 7.287 -11.698 1.00 0.00 N ATOM 884 CA TRP A 53 -6.348 6.797 -10.329 1.00 0.00 C ATOM 885 C TRP A 53 -7.297 7.667 -9.510 1.00 0.00 C ATOM 886 O TRP A 53 -7.047 7.948 -8.338 1.00 0.00 O ATOM 887 CB TRP A 53 -4.967 6.768 -9.666 1.00 0.00 C ATOM 888 CG TRP A 53 -3.883 6.251 -10.565 1.00 0.00 C ATOM 889 CD1 TRP A 53 -3.144 6.975 -11.456 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.419 4.900 -10.660 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.248 6.156 -12.099 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.397 4.877 -11.628 1.00 0.00 C ATOM 893 CE3 TRP A 53 -3.767 3.706 -10.021 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.720 3.709 -11.971 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.094 2.547 -10.361 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.082 2.556 -11.329 1.00 0.00 C ATOM 0 H TRP A 53 -5.582 8.050 -11.826 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.746 5.783 -10.364 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.708 7.775 -9.340 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.015 6.146 -8.772 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.249 8.036 -11.630 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.580 6.451 -12.811 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.548 3.689 -9.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.938 3.713 -12.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.353 1.620 -9.872 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.577 1.634 -11.574 1.00 0.00 H new ATOM 907 N LYS A 54 -8.389 8.090 -10.138 1.00 0.00 N ATOM 908 CA LYS A 54 -9.380 8.930 -9.474 1.00 0.00 C ATOM 909 C LYS A 54 -10.152 8.149 -8.412 1.00 0.00 C ATOM 910 O LYS A 54 -10.298 8.610 -7.279 1.00 0.00 O ATOM 911 CB LYS A 54 -10.355 9.512 -10.500 1.00 0.00 C ATOM 912 CG LYS A 54 -10.759 10.949 -10.207 1.00 0.00 C ATOM 913 CD LYS A 54 -10.893 11.761 -11.485 1.00 0.00 C ATOM 914 CE LYS A 54 -10.524 13.218 -11.259 1.00 0.00 C ATOM 915 NZ LYS A 54 -9.078 13.470 -11.511 1.00 0.00 N ATOM 0 H LYS A 54 -8.611 7.865 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.848 9.742 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.899 9.466 -11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.250 8.891 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.706 10.959 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.016 11.412 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.250 11.337 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.917 11.697 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.122 13.850 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.769 13.500 -10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.795 14.359 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.516 12.686 -11.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.911 13.541 -12.535 1.00 0.00 H new ATOM 929 N PRO A 55 -10.668 6.955 -8.761 1.00 0.00 N ATOM 930 CA PRO A 55 -11.433 6.125 -7.830 1.00 0.00 C ATOM 931 C PRO A 55 -10.547 5.274 -6.921 1.00 0.00 C ATOM 932 O PRO A 55 -10.882 4.131 -6.612 1.00 0.00 O ATOM 933 CB PRO A 55 -12.243 5.235 -8.767 1.00 0.00 C ATOM 934 CG PRO A 55 -11.369 5.059 -9.962 1.00 0.00 C ATOM 935 CD PRO A 55 -10.559 6.325 -10.093 1.00 0.00 C ATOM 0 HA PRO A 55 -12.031 6.725 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.477 4.277 -8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.192 5.700 -9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.718 4.193 -9.842 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.967 4.887 -10.857 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.522 6.111 -10.350 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.954 6.973 -10.875 1.00 0.00 H new ATOM 943 N PHE A 56 -9.422 5.837 -6.491 1.00 0.00 N ATOM 944 CA PHE A 56 -8.500 5.127 -5.613 1.00 0.00 C ATOM 945 C PHE A 56 -8.011 6.040 -4.493 1.00 0.00 C ATOM 946 O PHE A 56 -8.289 7.239 -4.493 1.00 0.00 O ATOM 947 CB PHE A 56 -7.304 4.598 -6.409 1.00 0.00 C ATOM 948 CG PHE A 56 -7.686 3.708 -7.561 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.679 2.754 -7.417 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.049 3.828 -8.785 1.00 0.00 C ATOM 951 CE1 PHE A 56 -9.032 1.935 -8.474 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.395 3.012 -9.845 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.388 2.064 -9.690 1.00 0.00 C ATOM 0 H PHE A 56 -9.128 6.782 -6.736 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.034 4.285 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.731 5.443 -6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.648 4.045 -5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.184 2.648 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.273 4.568 -8.912 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.810 1.196 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.890 3.115 -10.794 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.660 1.425 -10.517 1.00 0.00 H new ATOM 963 N ARG A 57 -7.284 5.467 -3.541 1.00 0.00 N ATOM 964 CA ARG A 57 -6.758 6.234 -2.416 1.00 0.00 C ATOM 965 C ARG A 57 -5.308 5.857 -2.133 1.00 0.00 C ATOM 966 O ARG A 57 -4.956 4.677 -2.111 1.00 0.00 O ATOM 967 CB ARG A 57 -7.615 6.005 -1.169 1.00 0.00 C ATOM 968 CG ARG A 57 -7.153 6.802 0.040 1.00 0.00 C ATOM 969 CD ARG A 57 -8.159 6.729 1.178 1.00 0.00 C ATOM 970 NE ARG A 57 -9.484 7.199 0.774 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.439 6.409 0.284 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.221 5.110 0.119 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.616 6.923 -0.045 1.00 0.00 N ATOM 0 H ARG A 57 -7.045 4.476 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.793 7.291 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.648 6.269 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.604 4.944 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.190 6.422 0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.002 7.843 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.232 5.700 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.802 7.329 2.015 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.690 8.193 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.317 4.709 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.958 4.513 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.789 7.921 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.349 6.321 -0.420 1.00 0.00 H new ATOM 987 N GLU A 58 -4.470 6.865 -1.916 1.00 0.00 N ATOM 988 CA GLU A 58 -3.056 6.640 -1.636 1.00 0.00 C ATOM 989 C GLU A 58 -2.792 6.641 -0.133 1.00 0.00 C ATOM 990 O GLU A 58 -3.647 7.036 0.658 1.00 0.00 O ATOM 991 CB GLU A 58 -2.202 7.710 -2.319 1.00 0.00 C ATOM 992 CG GLU A 58 -0.993 7.150 -3.050 1.00 0.00 C ATOM 993 CD GLU A 58 -0.081 8.236 -3.588 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.153 9.376 -3.084 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.706 7.945 -4.512 1.00 0.00 O ATOM 0 H GLU A 58 -4.746 7.847 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.784 5.662 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.822 8.260 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.863 8.425 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.428 6.509 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.331 6.523 -3.875 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.599 6.196 0.251 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.219 6.146 1.657 1.00 0.00 C ATOM 1004 C CYS A 59 0.284 5.919 1.805 1.00 0.00 C ATOM 1005 O CYS A 59 0.795 4.851 1.472 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.990 5.034 2.375 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.945 5.601 3.801 1.00 0.00 S ATOM 0 H CYS A 59 -0.880 5.865 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.470 7.104 2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.666 4.558 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.284 4.271 2.704 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.724 4.644 4.210 1.00 0.00 H new ATOM 1013 N HIS A 60 0.984 6.934 2.299 1.00 0.00 N ATOM 1014 CA HIS A 60 2.428 6.845 2.485 1.00 0.00 C ATOM 1015 C HIS A 60 2.769 6.339 3.883 1.00 0.00 C ATOM 1016 O HIS A 60 3.015 7.125 4.797 1.00 0.00 O ATOM 1017 CB HIS A 60 3.079 8.211 2.254 1.00 0.00 C ATOM 1018 CG HIS A 60 2.716 8.829 0.940 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.320 9.970 0.453 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.807 8.460 0.007 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.797 10.276 -0.721 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.876 9.377 -1.015 1.00 0.00 N ATOM 0 H HIS A 60 0.576 7.827 2.578 1.00 0.00 H new ATOM 0 HA HIS A 60 2.818 6.135 1.756 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.785 8.886 3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.162 8.103 2.309 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.056 10.495 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.150 7.604 0.056 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.076 11.119 -1.336 1.00 0.00 H new ATOM 1031 N ILE A 61 2.784 5.019 4.040 1.00 0.00 N ATOM 1032 CA ILE A 61 3.100 4.405 5.326 1.00 0.00 C ATOM 1033 C ILE A 61 4.483 4.827 5.808 1.00 0.00 C ATOM 1034 O ILE A 61 4.738 4.901 7.010 1.00 0.00 O ATOM 1035 CB ILE A 61 3.046 2.867 5.240 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.723 2.414 4.619 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.228 2.250 6.621 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.824 2.094 3.144 1.00 0.00 C ATOM 0 H ILE A 61 2.581 4.354 3.294 1.00 0.00 H new ATOM 0 HA ILE A 61 2.349 4.749 6.037 1.00 0.00 H new ATOM 0 HB ILE A 61 3.861 2.526 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.365 1.532 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.977 3.196 4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.187 1.164 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.194 2.548 7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.433 2.596 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.849 1.780 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.151 2.981 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.545 1.290 2.995 1.00 0.00 H new ATOM 1050 N LYS A 62 5.373 5.104 4.861 1.00 0.00 N ATOM 1051 CA LYS A 62 6.733 5.518 5.183 1.00 0.00 C ATOM 1052 C LYS A 62 7.193 6.630 4.243 1.00 0.00 C ATOM 1053 O LYS A 62 6.601 6.840 3.185 1.00 0.00 O ATOM 1054 CB LYS A 62 7.680 4.320 5.085 1.00 0.00 C ATOM 1055 CG LYS A 62 7.641 3.415 6.305 1.00 0.00 C ATOM 1056 CD LYS A 62 8.753 2.378 6.269 1.00 0.00 C ATOM 1057 CE LYS A 62 8.357 1.116 7.019 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.536 0.439 7.629 1.00 0.00 N ATOM 0 H LYS A 62 5.176 5.049 3.862 1.00 0.00 H new ATOM 0 HA LYS A 62 6.748 5.902 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.424 3.736 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.698 4.682 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.734 4.017 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.675 2.912 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.988 2.130 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.658 2.797 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.639 1.368 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.857 0.429 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.594 -0.539 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.403 0.951 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.435 0.432 8.664 1.00 0.00 H new ATOM 1072 N PRO A 63 8.261 7.360 4.614 1.00 0.00 N ATOM 1073 CA PRO A 63 8.791 8.453 3.787 1.00 0.00 C ATOM 1074 C PRO A 63 9.322 7.971 2.442 1.00 0.00 C ATOM 1075 O PRO A 63 9.653 8.774 1.570 1.00 0.00 O ATOM 1076 CB PRO A 63 9.925 9.036 4.636 1.00 0.00 C ATOM 1077 CG PRO A 63 10.298 7.946 5.583 1.00 0.00 C ATOM 1078 CD PRO A 63 9.032 7.187 5.858 1.00 0.00 C ATOM 0 HA PRO A 63 8.015 9.177 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.773 9.327 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.599 9.929 5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.057 7.295 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.716 8.354 6.503 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.230 6.136 6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.501 7.589 6.721 1.00 0.00 H new ATOM 1086 N ASP A 64 9.388 6.659 2.280 1.00 0.00 N ATOM 1087 CA ASP A 64 9.867 6.059 1.042 1.00 0.00 C ATOM 1088 C ASP A 64 8.930 4.942 0.589 1.00 0.00 C ATOM 1089 O ASP A 64 9.345 4.011 -0.100 1.00 0.00 O ATOM 1090 CB ASP A 64 11.282 5.512 1.229 1.00 0.00 C ATOM 1091 CG ASP A 64 12.056 5.449 -0.074 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.475 5.009 -1.088 1.00 0.00 O ATOM 1093 OD2 ASP A 64 13.242 5.841 -0.079 1.00 0.00 O ATOM 0 H ASP A 64 9.114 5.984 2.995 1.00 0.00 H new ATOM 0 HA ASP A 64 9.886 6.831 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.821 6.141 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.228 4.514 1.665 1.00 0.00 H new ATOM 1098 N VAL A 65 7.663 5.042 0.985 1.00 0.00 N ATOM 1099 CA VAL A 65 6.667 4.040 0.624 1.00 0.00 C ATOM 1100 C VAL A 65 5.314 4.685 0.342 1.00 0.00 C ATOM 1101 O VAL A 65 4.939 5.671 0.977 1.00 0.00 O ATOM 1102 CB VAL A 65 6.502 2.987 1.737 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.482 1.930 1.339 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.840 2.345 2.064 1.00 0.00 C ATOM 0 H VAL A 65 7.303 5.807 1.556 1.00 0.00 H new ATOM 0 HA VAL A 65 7.025 3.548 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 65 6.133 3.491 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.384 1.199 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.517 2.404 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.813 1.429 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.705 1.604 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.238 1.859 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.538 3.111 2.402 1.00 0.00 H new ATOM 1114 N LEU A 66 4.584 4.114 -0.608 1.00 0.00 N ATOM 1115 CA LEU A 66 3.266 4.623 -0.977 1.00 0.00 C ATOM 1116 C LEU A 66 2.360 3.486 -1.437 1.00 0.00 C ATOM 1117 O LEU A 66 2.423 3.057 -2.589 1.00 0.00 O ATOM 1118 CB LEU A 66 3.376 5.679 -2.086 1.00 0.00 C ATOM 1119 CG LEU A 66 4.766 6.294 -2.282 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.876 6.924 -3.662 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.054 7.323 -1.197 1.00 0.00 C ATOM 0 H LEU A 66 4.882 3.296 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 66 2.830 5.089 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.064 5.225 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.671 6.482 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 66 5.510 5.501 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.869 7.357 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.714 6.162 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.124 7.706 -3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.045 7.749 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.308 8.116 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.015 6.842 -0.220 1.00 0.00 H new ATOM 1133 N LEU A 67 1.520 2.997 -0.530 1.00 0.00 N ATOM 1134 CA LEU A 67 0.607 1.907 -0.848 1.00 0.00 C ATOM 1135 C LEU A 67 -0.737 2.440 -1.330 1.00 0.00 C ATOM 1136 O LEU A 67 -1.306 3.356 -0.736 1.00 0.00 O ATOM 1137 CB LEU A 67 0.399 1.004 0.376 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.723 -0.040 0.251 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -2.086 0.600 0.478 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.671 -0.729 -1.109 1.00 0.00 C ATOM 0 H LEU A 67 1.453 3.338 0.429 1.00 0.00 H new ATOM 0 HA LEU A 67 1.056 1.322 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.334 0.483 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.188 1.636 1.239 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.570 -0.795 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.864 -0.158 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.122 1.035 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.249 1.381 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.474 -1.464 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.792 0.013 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.290 -1.230 -1.227 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.248 1.841 -2.398 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.535 2.230 -2.952 1.00 0.00 C ATOM 1154 C VAL A 68 -3.571 1.153 -2.661 1.00 0.00 C ATOM 1155 O VAL A 68 -3.370 -0.016 -2.989 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.452 2.471 -4.472 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.818 2.838 -5.040 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.433 3.556 -4.776 1.00 0.00 C ATOM 0 H VAL A 68 -0.787 1.081 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.831 3.166 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.129 1.547 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.733 3.003 -6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.520 2.026 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.179 3.748 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.383 3.717 -5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.730 4.482 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.454 3.248 -4.410 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.669 1.547 -2.034 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.725 0.605 -1.690 1.00 0.00 C ATOM 1170 C TYR A 69 -7.105 1.191 -1.981 1.00 0.00 C ATOM 1171 O TYR A 69 -7.285 2.409 -1.981 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.614 0.207 -0.213 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.043 1.296 0.747 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.389 1.547 0.983 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -5.103 2.069 1.417 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.786 2.541 1.857 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.493 3.065 2.293 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.834 3.296 2.511 1.00 0.00 C ATOM 1179 OH TYR A 69 -7.225 4.286 3.382 1.00 0.00 O ATOM 0 H TYR A 69 -4.853 2.510 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.603 -0.284 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.224 -0.679 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.582 -0.069 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.137 0.956 0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.051 1.889 1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.836 2.726 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.750 3.659 2.804 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.432 4.722 3.759 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.073 0.314 -2.230 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.437 0.741 -2.523 1.00 0.00 C ATOM 1191 C LEU A 70 -10.388 0.334 -1.403 1.00 0.00 C ATOM 1192 O LEU A 70 -10.384 -0.813 -0.957 1.00 0.00 O ATOM 1193 CB LEU A 70 -9.906 0.140 -3.851 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.729 1.080 -4.733 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.891 0.497 -6.129 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.089 1.346 -4.106 1.00 0.00 C ATOM 0 H LEU A 70 -7.938 -0.697 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.443 1.828 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.031 -0.188 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.501 -0.749 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.197 2.028 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.479 1.180 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.909 0.357 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.401 -0.464 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.661 2.017 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.628 0.405 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.955 1.807 -3.127 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.207 1.280 -0.957 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.167 1.022 0.108 1.00 0.00 C ATOM 1210 C VAL A 71 -13.388 0.289 -0.423 1.00 0.00 C ATOM 1211 O VAL A 71 -13.671 0.320 -1.620 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.626 2.330 0.780 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.280 3.255 -0.236 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -13.572 2.043 1.938 1.00 0.00 C ATOM 0 H VAL A 71 -11.225 2.234 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.661 0.399 0.845 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.746 2.832 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.597 4.173 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.565 3.495 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.147 2.760 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.882 2.982 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.450 1.513 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.063 1.428 2.680 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.117 -0.360 0.476 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.313 -1.087 0.089 1.00 0.00 C ATOM 1226 C LYS A 72 -16.390 -0.973 1.164 1.00 0.00 C ATOM 1227 O LYS A 72 -16.098 -0.645 2.314 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.982 -2.556 -0.182 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.787 -3.162 -1.321 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.914 -4.041 -0.802 1.00 0.00 C ATOM 1231 CE LYS A 72 -17.802 -4.535 -1.932 1.00 0.00 C ATOM 1232 NZ LYS A 72 -18.326 -3.411 -2.756 1.00 0.00 N ATOM 0 H LYS A 72 -13.900 -0.396 1.472 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.699 -0.642 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.920 -2.644 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.161 -3.133 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.201 -2.365 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.129 -3.752 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.495 -4.894 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.514 -3.480 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.237 -5.218 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.636 -5.101 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.146 -3.737 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.616 -2.630 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.583 -3.080 -3.404 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.637 -1.240 0.774 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.776 -1.163 1.694 1.00 0.00 C ATOM 1248 C ASP A 73 -18.430 -1.723 3.072 1.00 0.00 C ATOM 1249 O ASP A 73 -18.937 -1.249 4.089 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.972 -1.920 1.113 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.290 -1.228 1.404 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.374 -0.518 2.429 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.238 -1.397 0.609 1.00 0.00 O ATOM 0 H ASP A 73 -17.886 -1.513 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.031 -0.110 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.847 -2.019 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -19.995 -2.929 1.525 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.564 -2.730 3.099 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.151 -3.348 4.353 1.00 0.00 C ATOM 1260 C ASP A 74 -15.904 -4.203 4.154 1.00 0.00 C ATOM 1261 O ASP A 74 -15.712 -5.207 4.840 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.285 -4.204 4.921 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.731 -5.288 3.960 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.505 -5.129 2.742 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.305 -6.295 4.423 1.00 0.00 O ATOM 0 H ASP A 74 -17.135 -3.135 2.267 1.00 0.00 H new ATOM 0 HA ASP A 74 -16.915 -2.553 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.958 -4.662 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -19.134 -3.564 5.161 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.062 -3.800 3.208 1.00 0.00 N ATOM 1271 CA GLU A 75 -13.835 -4.532 2.916 1.00 0.00 C ATOM 1272 C GLU A 75 -12.776 -3.605 2.330 1.00 0.00 C ATOM 1273 O GLU A 75 -13.091 -2.547 1.789 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.118 -5.676 1.938 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.172 -6.656 2.428 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.474 -7.741 1.413 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.495 -7.433 0.203 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -15.688 -8.899 1.828 1.00 0.00 O ATOM 0 H GLU A 75 -15.207 -2.971 2.631 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.458 -4.945 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.441 -5.256 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.191 -6.218 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.832 -7.116 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.089 -6.113 2.658 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.517 -4.016 2.436 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.407 -3.229 1.911 1.00 0.00 C ATOM 1287 C LEU A 76 -9.596 -4.051 0.917 1.00 0.00 C ATOM 1288 O LEU A 76 -9.328 -5.231 1.147 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.508 -2.742 3.048 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.425 -1.744 2.634 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.948 -0.320 2.731 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.183 -1.919 3.494 1.00 0.00 C ATOM 0 H LEU A 76 -11.239 -4.891 2.881 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.817 -2.360 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.133 -2.281 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.028 -3.606 3.507 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.154 -1.939 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.164 0.377 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.808 -0.203 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.247 -0.111 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.423 -1.201 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.438 -1.751 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.796 -2.931 3.373 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.212 -3.427 -0.191 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.439 -4.111 -1.219 1.00 0.00 C ATOM 1306 C ILE A 77 -7.174 -3.334 -1.575 1.00 0.00 C ATOM 1307 O ILE A 77 -7.212 -2.119 -1.763 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.280 -4.330 -2.495 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.546 -2.998 -3.203 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.591 -5.023 -2.151 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -8.559 -2.691 -4.308 1.00 0.00 C ATOM 0 H ILE A 77 -9.423 -2.451 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.153 -5.080 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.716 -4.970 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.553 -3.013 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.517 -2.194 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.174 -5.171 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.382 -5.990 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.157 -4.405 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.810 -1.733 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.552 -2.643 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.603 -3.475 -5.064 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.056 -4.046 -1.670 1.00 0.00 N ATOM 1324 CA LEU A 78 -4.781 -3.424 -2.009 1.00 0.00 C ATOM 1325 C LEU A 78 -4.599 -3.348 -3.521 1.00 0.00 C ATOM 1326 O LEU A 78 -4.678 -4.360 -4.217 1.00 0.00 O ATOM 1327 CB LEU A 78 -3.623 -4.206 -1.387 1.00 0.00 C ATOM 1328 CG LEU A 78 -3.749 -4.468 0.114 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.703 -5.475 0.568 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.618 -3.168 0.895 1.00 0.00 C ATOM 0 H LEU A 78 -6.007 -5.053 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.784 -2.411 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.534 -5.163 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.697 -3.660 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.736 -4.887 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.807 -5.650 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.844 -6.413 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.707 -5.084 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.710 -3.373 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.645 -2.720 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.405 -2.479 0.589 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.355 -2.142 -4.025 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.161 -1.935 -5.455 1.00 0.00 C ATOM 1344 C LEU A 79 -2.725 -2.257 -5.860 1.00 0.00 C ATOM 1345 O LEU A 79 -2.479 -3.192 -6.620 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.501 -0.493 -5.835 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.951 -0.261 -6.268 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -6.743 0.406 -5.154 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -6.005 0.576 -7.537 1.00 0.00 C ATOM 0 H LEU A 79 -4.287 -1.293 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.830 -2.609 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.285 0.152 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.842 -0.182 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.403 -1.230 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.771 0.562 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.737 -0.232 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.290 1.367 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.044 0.729 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.532 1.542 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.477 0.058 -8.337 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.780 -1.474 -5.346 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.370 -1.678 -5.656 1.00 0.00 C ATOM 1363 C ARG A 80 0.522 -0.969 -4.644 1.00 0.00 C ATOM 1364 O ARG A 80 0.044 -0.201 -3.808 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.060 -1.173 -7.067 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.321 0.313 -7.252 1.00 0.00 C ATOM 1367 CD ARG A 80 0.957 1.125 -7.102 1.00 0.00 C ATOM 1368 NE ARG A 80 0.707 2.561 -7.209 1.00 0.00 N ATOM 1369 CZ ARG A 80 0.438 3.183 -8.355 1.00 0.00 C ATOM 1370 NH1 ARG A 80 0.382 2.501 -9.492 1.00 0.00 N ATOM 1371 NH2 ARG A 80 0.224 4.492 -8.363 1.00 0.00 N ATOM 0 H ARG A 80 -1.966 -0.695 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.165 -2.747 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.985 -1.381 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.662 -1.731 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.751 0.488 -8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.055 0.649 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.414 0.907 -6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.671 0.823 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 80 0.741 3.119 -6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.546 1.494 -9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.175 2.984 -10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.266 5.021 -7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.018 4.970 -9.240 1.00 0.00 H new ATOM 1385 N LEU A 81 1.822 -1.235 -4.722 1.00 0.00 N ATOM 1386 CA LEU A 81 2.786 -0.628 -3.812 1.00 0.00 C ATOM 1387 C LEU A 81 3.907 0.061 -4.585 1.00 0.00 C ATOM 1388 O LEU A 81 4.480 -0.514 -5.509 1.00 0.00 O ATOM 1389 CB LEU A 81 3.372 -1.687 -2.877 1.00 0.00 C ATOM 1390 CG LEU A 81 4.112 -1.142 -1.654 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.424 -0.495 -2.067 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.238 -0.148 -0.902 1.00 0.00 C ATOM 0 H LEU A 81 2.233 -1.869 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 81 2.264 0.123 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.563 -2.333 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.059 -2.312 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 81 4.337 -1.975 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.936 -0.113 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.055 -1.234 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.224 0.327 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.780 0.230 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.982 0.682 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.325 -0.643 -0.572 1.00 0.00 H new ATOM 1404 N GLY A 82 4.212 1.296 -4.201 1.00 0.00 N ATOM 1405 CA GLY A 82 5.262 2.042 -4.867 1.00 0.00 C ATOM 1406 C GLY A 82 6.054 2.910 -3.908 1.00 0.00 C ATOM 1407 O GLY A 82 5.630 3.141 -2.776 1.00 0.00 O ATOM 0 H GLY A 82 3.750 1.793 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.937 1.347 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.822 2.670 -5.642 1.00 0.00 H new ATOM 1411 N SER A 83 7.206 3.391 -4.361 1.00 0.00 N ATOM 1412 CA SER A 83 8.060 4.238 -3.538 1.00 0.00 C ATOM 1413 C SER A 83 7.967 5.696 -3.975 1.00 0.00 C ATOM 1414 O SER A 83 7.330 6.012 -4.980 1.00 0.00 O ATOM 1415 CB SER A 83 9.511 3.761 -3.612 1.00 0.00 C ATOM 1416 OG SER A 83 9.611 2.380 -3.308 1.00 0.00 O ATOM 0 H SER A 83 7.570 3.208 -5.296 1.00 0.00 H new ATOM 0 HA SER A 83 7.714 4.166 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.907 3.946 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.122 4.335 -2.915 1.00 0.00 H new ATOM 0 HG SER A 83 10.515 2.064 -3.517 1.00 0.00 H new ATOM 1422 N HIS A 84 8.607 6.578 -3.217 1.00 0.00 N ATOM 1423 CA HIS A 84 8.597 8.002 -3.525 1.00 0.00 C ATOM 1424 C HIS A 84 9.296 8.281 -4.854 1.00 0.00 C ATOM 1425 O HIS A 84 9.027 9.288 -5.508 1.00 0.00 O ATOM 1426 CB HIS A 84 9.276 8.791 -2.404 1.00 0.00 C ATOM 1427 CG HIS A 84 8.931 10.248 -2.401 1.00 0.00 C ATOM 1428 ND1 HIS A 84 7.811 10.761 -3.023 1.00 0.00 N ATOM 1429 CD2 HIS A 84 9.567 11.307 -1.842 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.773 12.069 -2.848 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.826 12.425 -2.135 1.00 0.00 N ATOM 0 H HIS A 84 9.140 6.331 -2.383 1.00 0.00 H new ATOM 0 HA HIS A 84 7.558 8.321 -3.610 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.994 8.358 -1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.357 8.682 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.484 11.277 -1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.010 12.735 -3.224 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.052 13.377 -1.848 1.00 0.00 H new ATOM 1440 N SER A 85 10.195 7.385 -5.248 1.00 0.00 N ATOM 1441 CA SER A 85 10.931 7.539 -6.497 1.00 0.00 C ATOM 1442 C SER A 85 10.189 6.878 -7.657 1.00 0.00 C ATOM 1443 O SER A 85 10.340 7.279 -8.810 1.00 0.00 O ATOM 1444 CB SER A 85 12.332 6.938 -6.367 1.00 0.00 C ATOM 1445 OG SER A 85 13.102 7.647 -5.412 1.00 0.00 O ATOM 0 H SER A 85 10.431 6.545 -4.720 1.00 0.00 H new ATOM 0 HA SER A 85 11.017 8.605 -6.706 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.257 5.891 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.833 6.963 -7.335 1.00 0.00 H new ATOM 0 HG SER A 85 13.993 7.244 -5.345 1.00 0.00 H new ATOM 1451 N GLU A 86 9.388 5.864 -7.343 1.00 0.00 N ATOM 1452 CA GLU A 86 8.627 5.150 -8.361 1.00 0.00 C ATOM 1453 C GLU A 86 7.452 5.990 -8.857 1.00 0.00 C ATOM 1454 O GLU A 86 7.435 6.432 -10.005 1.00 0.00 O ATOM 1455 CB GLU A 86 8.119 3.816 -7.808 1.00 0.00 C ATOM 1456 CG GLU A 86 9.208 2.970 -7.170 1.00 0.00 C ATOM 1457 CD GLU A 86 10.053 2.240 -8.194 1.00 0.00 C ATOM 1458 OE1 GLU A 86 10.901 2.894 -8.837 1.00 0.00 O ATOM 1459 OE2 GLU A 86 9.869 1.016 -8.353 1.00 0.00 O ATOM 0 H GLU A 86 9.250 5.519 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 86 9.291 4.957 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.341 4.011 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.656 3.249 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.850 3.608 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.752 2.244 -6.497 1.00 0.00 H new ATOM 1466 N LEU A 87 6.474 6.202 -7.983 1.00 0.00 N ATOM 1467 CA LEU A 87 5.295 6.987 -8.334 1.00 0.00 C ATOM 1468 C LEU A 87 5.637 8.469 -8.442 1.00 0.00 C ATOM 1469 O LEU A 87 5.045 9.196 -9.239 1.00 0.00 O ATOM 1470 CB LEU A 87 4.194 6.783 -7.292 1.00 0.00 C ATOM 1471 CG LEU A 87 3.973 5.332 -6.859 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.809 5.237 -5.886 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.730 4.446 -8.073 1.00 0.00 C ATOM 0 H LEU A 87 6.474 5.842 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 87 4.938 6.644 -9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.435 7.377 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.258 7.173 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 87 4.872 4.982 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.667 4.198 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.022 5.841 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.902 5.604 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.575 3.417 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.846 4.795 -8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.595 4.490 -8.735 1.00 0.00 H new ATOM 1485 N PHE A 88 6.597 8.911 -7.636 1.00 0.00 N ATOM 1486 CA PHE A 88 7.018 10.308 -7.644 1.00 0.00 C ATOM 1487 C PHE A 88 8.482 10.433 -8.056 1.00 0.00 C ATOM 1488 O PHE A 88 9.131 9.385 -8.252 1.00 0.00 O ATOM 1489 CB PHE A 88 6.810 10.933 -6.264 1.00 0.00 C ATOM 1490 CG PHE A 88 5.424 11.471 -6.051 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.010 12.627 -6.692 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.537 10.819 -5.210 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.735 13.123 -6.497 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.261 11.311 -5.011 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.859 12.465 -5.655 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.965 11.579 -8.180 1.00 0.00 O ATOM 0 H PHE A 88 7.098 8.323 -6.970 1.00 0.00 H new ATOM 0 HA PHE A 88 6.407 10.841 -8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.022 10.185 -5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.529 11.741 -6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.690 13.146 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.846 9.916 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.423 14.025 -7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.579 10.794 -4.353 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.863 12.852 -5.501 1.00 0.00 H new