USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 714 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 34 GLN : amide:sc= -1.44 K(o=-2.7,f=-0.43) USER MOD Set 1.2: A 37 GLN : amide:sc= -1.25 K(o=-2.7,f=-0.43) USER MOD Set 2.1: A 2 SER OG : rot 110:sc= -0.652 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.708 X(o=-1.7,f=-1.6) USER MOD Set 2.3: A 82 ASN : amide:sc= -0.324 K(o=-1.7,f=-0.38) USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.000655) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= -0.0121 (180deg=-0.0944) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0466) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 9 ASN : amide:sc= -0.468 K(o=-0.47,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= -2.34! (180deg=-2.39!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -166:sc= -0.639 (180deg=-1.08) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -172:sc= -0.184 (180deg=-0.371) USER MOD Single : A 28 GLN : amide:sc=-0.00399 X(o=-0.004,f=-0.31) USER MOD Single : A 35 SER OG : rot 180:sc= -0.386 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.847 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.137 K(o=0.14,f=-3.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.15! K(o=-2.2!,f=-0.56) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= -0.0832 K(o=-0.083,f=-2.6) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.283 3.085 -11.125 1.00 0.00 N ATOM 2 CA MET A 1 -0.393 4.059 -10.011 1.00 0.00 C ATOM 3 C MET A 1 0.985 4.192 -9.332 1.00 0.00 C ATOM 4 O MET A 1 1.311 3.442 -8.397 1.00 0.00 O ATOM 5 CB MET A 1 -1.488 3.602 -9.005 1.00 0.00 C ATOM 6 CG MET A 1 -1.803 4.602 -7.878 1.00 0.00 C ATOM 7 SD MET A 1 -2.651 6.086 -8.469 1.00 0.00 S ATOM 8 CE MET A 1 -3.118 6.874 -6.922 1.00 0.00 C ATOM 0 H1 MET A 1 -1.207 2.986 -11.592 1.00 0.00 H new ATOM 0 H2 MET A 1 0.419 3.423 -11.814 1.00 0.00 H new ATOM 0 H3 MET A 1 0.016 2.162 -10.751 1.00 0.00 H new ATOM 0 HA MET A 1 -0.691 5.036 -10.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.406 3.402 -9.558 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.175 2.660 -8.555 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.422 4.111 -7.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.874 4.892 -7.387 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.940 7.567 -7.100 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.433 6.114 -6.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.264 7.419 -6.519 1.00 0.00 H new ATOM 18 N SER A 2 1.818 5.119 -9.852 1.00 0.00 N ATOM 19 CA SER A 2 3.187 5.338 -9.356 1.00 0.00 C ATOM 20 C SER A 2 3.164 6.341 -8.185 1.00 0.00 C ATOM 21 O SER A 2 3.549 7.513 -8.318 1.00 0.00 O ATOM 22 CB SER A 2 4.115 5.809 -10.504 1.00 0.00 C ATOM 23 OG SER A 2 5.462 5.878 -10.073 1.00 0.00 O ATOM 0 H SER A 2 1.558 5.733 -10.624 1.00 0.00 H new ATOM 0 HA SER A 2 3.591 4.396 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.034 5.122 -11.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.792 6.788 -10.858 1.00 0.00 H new ATOM 0 HG SER A 2 5.980 5.165 -10.502 1.00 0.00 H new ATOM 29 N LYS A 3 2.697 5.854 -7.022 1.00 0.00 N ATOM 30 CA LYS A 3 2.491 6.674 -5.809 1.00 0.00 C ATOM 31 C LYS A 3 3.803 6.732 -4.962 1.00 0.00 C ATOM 32 O LYS A 3 3.778 6.760 -3.727 1.00 0.00 O ATOM 33 CB LYS A 3 1.273 6.089 -5.016 1.00 0.00 C ATOM 34 CG LYS A 3 0.732 6.971 -3.859 1.00 0.00 C ATOM 35 CD LYS A 3 0.191 8.339 -4.340 1.00 0.00 C ATOM 36 CE LYS A 3 -0.279 9.226 -3.174 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.366 8.578 -2.388 1.00 0.00 N ATOM 0 H LYS A 3 2.449 4.873 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 3 2.258 7.706 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.460 5.907 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.562 5.122 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.063 6.434 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.528 7.137 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.970 8.859 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.639 8.177 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.565 9.441 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.632 10.181 -3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.737 9.251 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.132 8.288 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.989 7.742 -1.898 1.00 0.00 H new ATOM 51 N THR A 4 4.957 6.788 -5.663 1.00 0.00 N ATOM 52 CA THR A 4 6.284 6.944 -5.040 1.00 0.00 C ATOM 53 C THR A 4 6.467 8.389 -4.510 1.00 0.00 C ATOM 54 O THR A 4 5.702 9.300 -4.869 1.00 0.00 O ATOM 55 CB THR A 4 7.424 6.563 -6.057 1.00 0.00 C ATOM 56 OG1 THR A 4 8.724 6.703 -5.447 1.00 0.00 O ATOM 57 CG2 THR A 4 7.369 7.394 -7.354 1.00 0.00 C ATOM 0 H THR A 4 4.991 6.726 -6.681 1.00 0.00 H new ATOM 0 HA THR A 4 6.352 6.262 -4.192 1.00 0.00 H new ATOM 0 HB THR A 4 7.256 5.520 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.417 6.460 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.178 7.088 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.412 7.231 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.477 8.452 -7.113 1.00 0.00 H new ATOM 65 N ALA A 5 7.468 8.578 -3.635 1.00 0.00 N ATOM 66 CA ALA A 5 7.774 9.880 -3.002 1.00 0.00 C ATOM 67 C ALA A 5 8.876 10.659 -3.759 1.00 0.00 C ATOM 68 O ALA A 5 9.402 11.652 -3.239 1.00 0.00 O ATOM 69 CB ALA A 5 8.179 9.648 -1.534 1.00 0.00 C ATOM 0 H ALA A 5 8.095 7.829 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 5 6.876 10.496 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.405 10.605 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.358 9.167 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.060 9.008 -1.497 1.00 0.00 H new ATOM 75 N LYS A 6 9.216 10.217 -4.993 1.00 0.00 N ATOM 76 CA LYS A 6 10.225 10.892 -5.852 1.00 0.00 C ATOM 77 C LYS A 6 9.603 12.117 -6.575 1.00 0.00 C ATOM 78 O LYS A 6 9.573 12.174 -7.813 1.00 0.00 O ATOM 79 CB LYS A 6 10.810 9.882 -6.892 1.00 0.00 C ATOM 80 CG LYS A 6 11.650 8.724 -6.303 1.00 0.00 C ATOM 81 CD LYS A 6 12.190 7.772 -7.404 1.00 0.00 C ATOM 82 CE LYS A 6 13.135 6.686 -6.859 1.00 0.00 C ATOM 83 NZ LYS A 6 14.393 7.253 -6.304 1.00 0.00 N ATOM 0 H LYS A 6 8.803 9.388 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 6 11.035 11.249 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.984 9.455 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.431 10.434 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.487 9.135 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.040 8.156 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.349 7.294 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.717 8.359 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.622 6.119 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.377 5.985 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.037 6.479 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.847 7.856 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.175 7.821 -5.460 1.00 0.00 H new ATOM 97 N LEU A 7 9.082 13.087 -5.801 1.00 0.00 N ATOM 98 CA LEU A 7 8.439 14.297 -6.352 1.00 0.00 C ATOM 99 C LEU A 7 9.537 15.322 -6.739 1.00 0.00 C ATOM 100 O LEU A 7 9.902 16.204 -5.951 1.00 0.00 O ATOM 101 CB LEU A 7 7.415 14.872 -5.323 1.00 0.00 C ATOM 102 CG LEU A 7 6.618 16.148 -5.761 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.729 15.864 -6.988 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.779 16.721 -4.592 1.00 0.00 C ATOM 0 H LEU A 7 9.094 13.056 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 7 7.877 14.055 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.697 14.088 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.951 15.105 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 7 7.350 16.903 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.191 16.770 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.352 15.543 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.015 15.077 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.239 17.605 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.067 15.969 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.440 16.993 -3.769 1.00 0.00 H new ATOM 116 N ASN A 8 10.117 15.116 -7.936 1.00 0.00 N ATOM 117 CA ASN A 8 11.230 15.927 -8.459 1.00 0.00 C ATOM 118 C ASN A 8 10.693 17.217 -9.120 1.00 0.00 C ATOM 119 O ASN A 8 10.132 17.166 -10.220 1.00 0.00 O ATOM 120 CB ASN A 8 12.070 15.099 -9.474 1.00 0.00 C ATOM 121 CG ASN A 8 12.767 13.888 -8.853 1.00 0.00 C ATOM 122 OD1 ASN A 8 12.223 12.783 -8.821 1.00 0.00 O ATOM 123 ND2 ASN A 8 13.976 14.087 -8.349 1.00 0.00 N ATOM 0 H ASN A 8 9.823 14.375 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 8 11.876 16.211 -7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.418 14.759 -10.279 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.821 15.748 -9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.483 13.313 -7.919 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.400 15.014 -8.391 1.00 0.00 H new ATOM 130 N ASN A 9 10.874 18.354 -8.412 1.00 0.00 N ATOM 131 CA ASN A 9 10.443 19.710 -8.840 1.00 0.00 C ATOM 132 C ASN A 9 8.930 19.763 -9.121 1.00 0.00 C ATOM 133 O ASN A 9 8.493 19.543 -10.263 1.00 0.00 O ATOM 134 CB ASN A 9 11.254 20.223 -10.069 1.00 0.00 C ATOM 135 CG ASN A 9 10.910 21.658 -10.523 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.948 21.968 -11.715 1.00 0.00 O ATOM 137 ND2 ASN A 9 10.612 22.553 -9.588 1.00 0.00 N ATOM 0 H ASN A 9 11.336 18.357 -7.503 1.00 0.00 H new ATOM 0 HA ASN A 9 10.653 20.380 -8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.316 20.179 -9.829 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.087 19.544 -10.905 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.409 23.517 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.586 22.276 -8.607 1.00 0.00 H new ATOM 144 N GLU A 10 8.159 20.070 -8.058 1.00 0.00 N ATOM 145 CA GLU A 10 6.676 20.116 -8.062 1.00 0.00 C ATOM 146 C GLU A 10 6.105 20.902 -9.260 1.00 0.00 C ATOM 147 O GLU A 10 5.115 20.474 -9.853 1.00 0.00 O ATOM 148 CB GLU A 10 6.182 20.742 -6.726 1.00 0.00 C ATOM 149 CG GLU A 10 4.651 20.802 -6.556 1.00 0.00 C ATOM 150 CD GLU A 10 4.207 21.412 -5.221 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.258 20.705 -4.195 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.815 22.598 -5.193 1.00 0.00 O ATOM 0 H GLU A 10 8.558 20.299 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 10 6.314 19.093 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.601 20.170 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.580 21.754 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.225 21.386 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.244 19.794 -6.639 1.00 0.00 H new ATOM 159 N GLU A 11 6.781 22.014 -9.620 1.00 0.00 N ATOM 160 CA GLU A 11 6.360 22.947 -10.696 1.00 0.00 C ATOM 161 C GLU A 11 5.993 22.231 -12.013 1.00 0.00 C ATOM 162 O GLU A 11 4.918 22.473 -12.568 1.00 0.00 O ATOM 163 CB GLU A 11 7.479 23.982 -10.963 1.00 0.00 C ATOM 164 CG GLU A 11 7.747 24.933 -9.787 1.00 0.00 C ATOM 165 CD GLU A 11 8.877 25.926 -10.081 1.00 0.00 C ATOM 166 OE1 GLU A 11 10.055 25.576 -9.876 1.00 0.00 O ATOM 167 OE2 GLU A 11 8.600 27.042 -10.549 1.00 0.00 O ATOM 0 H GLU A 11 7.649 22.296 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 11 5.457 23.444 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.400 23.451 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.212 24.572 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.835 25.483 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.002 24.349 -8.903 1.00 0.00 H new ATOM 174 N LYS A 12 6.881 21.329 -12.482 1.00 0.00 N ATOM 175 CA LYS A 12 6.688 20.604 -13.763 1.00 0.00 C ATOM 176 C LYS A 12 5.438 19.722 -13.709 1.00 0.00 C ATOM 177 O LYS A 12 4.708 19.594 -14.696 1.00 0.00 O ATOM 178 CB LYS A 12 7.917 19.725 -14.113 1.00 0.00 C ATOM 179 CG LYS A 12 9.264 20.475 -14.130 1.00 0.00 C ATOM 180 CD LYS A 12 10.411 19.654 -14.771 1.00 0.00 C ATOM 181 CE LYS A 12 10.578 18.242 -14.165 1.00 0.00 C ATOM 182 NZ LYS A 12 10.842 18.261 -12.701 1.00 0.00 N ATOM 0 H LYS A 12 7.742 21.083 -11.994 1.00 0.00 H new ATOM 0 HA LYS A 12 6.566 21.359 -14.539 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.980 18.910 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.756 19.273 -15.092 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.145 21.410 -14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.540 20.737 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.225 19.561 -15.841 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.346 20.202 -14.656 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.676 17.662 -14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.399 17.732 -14.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.928 17.285 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.727 18.775 -12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.056 18.736 -12.213 1.00 0.00 H new ATOM 196 N LEU A 13 5.208 19.128 -12.529 1.00 0.00 N ATOM 197 CA LEU A 13 4.066 18.238 -12.293 1.00 0.00 C ATOM 198 C LEU A 13 2.743 19.023 -12.200 1.00 0.00 C ATOM 199 O LEU A 13 1.701 18.538 -12.646 1.00 0.00 O ATOM 200 CB LEU A 13 4.280 17.383 -11.025 1.00 0.00 C ATOM 201 CG LEU A 13 5.461 16.355 -11.093 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.779 16.928 -10.546 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.094 15.023 -10.424 1.00 0.00 C ATOM 0 H LEU A 13 5.808 19.252 -11.714 1.00 0.00 H new ATOM 0 HA LEU A 13 3.996 17.569 -13.151 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.453 18.052 -10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.359 16.838 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 13 5.633 16.151 -12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.562 16.173 -10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.065 17.803 -11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.646 17.215 -9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.938 14.337 -10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.851 15.197 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.231 14.588 -10.929 1.00 0.00 H new ATOM 215 N VAL A 14 2.800 20.227 -11.602 1.00 0.00 N ATOM 216 CA VAL A 14 1.638 21.140 -11.520 1.00 0.00 C ATOM 217 C VAL A 14 1.177 21.503 -12.938 1.00 0.00 C ATOM 218 O VAL A 14 0.006 21.342 -13.276 1.00 0.00 O ATOM 219 CB VAL A 14 1.964 22.454 -10.710 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.760 23.443 -10.676 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.429 22.108 -9.283 1.00 0.00 C ATOM 0 H VAL A 14 3.644 20.595 -11.164 1.00 0.00 H new ATOM 0 HA VAL A 14 0.844 20.620 -10.985 1.00 0.00 H new ATOM 0 HB VAL A 14 2.776 22.961 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.035 24.331 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.497 23.731 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.095 22.959 -10.203 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.649 23.027 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.641 21.561 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.327 21.491 -9.332 1.00 0.00 H new ATOM 231 N LYS A 15 2.150 21.937 -13.761 1.00 0.00 N ATOM 232 CA LYS A 15 1.943 22.293 -15.178 1.00 0.00 C ATOM 233 C LYS A 15 1.399 21.098 -15.978 1.00 0.00 C ATOM 234 O LYS A 15 0.505 21.255 -16.808 1.00 0.00 O ATOM 235 CB LYS A 15 3.278 22.767 -15.798 1.00 0.00 C ATOM 236 CG LYS A 15 3.857 24.048 -15.159 1.00 0.00 C ATOM 237 CD LYS A 15 5.296 24.348 -15.638 1.00 0.00 C ATOM 238 CE LYS A 15 5.402 24.555 -17.163 1.00 0.00 C ATOM 239 NZ LYS A 15 6.810 24.742 -17.595 1.00 0.00 N ATOM 0 H LYS A 15 3.116 22.052 -13.456 1.00 0.00 H new ATOM 0 HA LYS A 15 1.209 23.097 -15.222 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.012 21.966 -15.707 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.128 22.942 -16.863 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.213 24.894 -15.400 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.853 23.943 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.661 25.241 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.948 23.526 -15.344 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.975 23.694 -17.678 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.813 25.425 -17.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.842 24.878 -18.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.210 25.578 -17.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.366 23.901 -17.340 1.00 0.00 H new ATOM 253 N LYS A 16 1.941 19.901 -15.683 1.00 0.00 N ATOM 254 CA LYS A 16 1.552 18.654 -16.363 1.00 0.00 C ATOM 255 C LYS A 16 0.127 18.233 -15.961 1.00 0.00 C ATOM 256 O LYS A 16 -0.581 17.595 -16.735 1.00 0.00 O ATOM 257 CB LYS A 16 2.562 17.525 -16.047 1.00 0.00 C ATOM 258 CG LYS A 16 2.400 16.249 -16.907 1.00 0.00 C ATOM 259 CD LYS A 16 2.576 16.535 -18.410 1.00 0.00 C ATOM 260 CE LYS A 16 2.327 15.306 -19.288 1.00 0.00 C ATOM 261 NZ LYS A 16 2.453 15.645 -20.723 1.00 0.00 N ATOM 0 H LYS A 16 2.658 19.773 -14.969 1.00 0.00 H new ATOM 0 HA LYS A 16 1.562 18.835 -17.438 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.572 17.912 -16.183 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.464 17.253 -14.996 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.132 15.505 -16.592 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.414 15.819 -16.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.891 17.330 -18.705 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.587 16.903 -18.588 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.039 14.522 -19.032 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.331 14.909 -19.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.280 14.795 -21.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.757 16.377 -20.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.411 16.001 -20.913 1.00 0.00 H new ATOM 275 N ALA A 17 -0.277 18.610 -14.743 1.00 0.00 N ATOM 276 CA ALA A 17 -1.637 18.376 -14.244 1.00 0.00 C ATOM 277 C ALA A 17 -2.611 19.411 -14.827 1.00 0.00 C ATOM 278 O ALA A 17 -3.799 19.135 -14.954 1.00 0.00 O ATOM 279 CB ALA A 17 -1.654 18.397 -12.717 1.00 0.00 C ATOM 0 H ALA A 17 0.330 19.086 -14.075 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.965 17.389 -14.571 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.670 18.222 -12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.996 17.616 -12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.308 19.368 -12.363 1.00 0.00 H new ATOM 285 N LEU A 18 -2.091 20.608 -15.184 1.00 0.00 N ATOM 286 CA LEU A 18 -2.875 21.630 -15.912 1.00 0.00 C ATOM 287 C LEU A 18 -3.131 21.147 -17.348 1.00 0.00 C ATOM 288 O LEU A 18 -4.193 21.403 -17.918 1.00 0.00 O ATOM 289 CB LEU A 18 -2.165 23.019 -15.932 1.00 0.00 C ATOM 290 CG LEU A 18 -1.749 23.608 -14.547 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.185 25.041 -14.673 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.902 23.528 -13.528 1.00 0.00 C ATOM 0 H LEU A 18 -1.132 20.889 -14.979 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.820 21.763 -15.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.271 22.936 -16.550 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.827 23.733 -16.422 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.939 22.987 -14.164 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.909 25.411 -13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.305 25.030 -15.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.943 25.694 -15.106 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.576 23.947 -12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.756 24.094 -13.900 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.191 22.487 -13.386 1.00 0.00 H new ATOM 304 N GLU A 19 -2.128 20.437 -17.908 1.00 0.00 N ATOM 305 CA GLU A 19 -2.215 19.822 -19.240 1.00 0.00 C ATOM 306 C GLU A 19 -3.269 18.697 -19.256 1.00 0.00 C ATOM 307 O GLU A 19 -4.269 18.792 -19.964 1.00 0.00 O ATOM 308 CB GLU A 19 -0.829 19.264 -19.676 1.00 0.00 C ATOM 309 CG GLU A 19 0.274 20.328 -19.876 1.00 0.00 C ATOM 310 CD GLU A 19 1.662 19.719 -20.177 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.805 19.021 -21.213 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.614 19.936 -19.394 1.00 0.00 O ATOM 0 H GLU A 19 -1.234 20.277 -17.443 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.521 20.592 -19.948 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.491 18.549 -18.926 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.954 18.713 -20.608 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.011 20.988 -20.695 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.342 20.944 -18.979 1.00 0.00 H new ATOM 319 N ILE A 20 -3.044 17.655 -18.432 1.00 0.00 N ATOM 320 CA ILE A 20 -3.866 16.430 -18.438 1.00 0.00 C ATOM 321 C ILE A 20 -5.243 16.703 -17.809 1.00 0.00 C ATOM 322 O ILE A 20 -6.265 16.361 -18.393 1.00 0.00 O ATOM 323 CB ILE A 20 -3.140 15.235 -17.706 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.696 15.010 -18.277 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.971 13.927 -17.795 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.629 14.685 -19.762 1.00 0.00 C ATOM 0 H ILE A 20 -2.290 17.639 -17.746 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.011 16.133 -19.477 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.051 15.507 -16.654 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.105 15.907 -18.091 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.226 14.198 -17.722 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.442 13.124 -17.281 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.943 14.081 -17.325 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.112 13.656 -18.841 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.589 14.548 -20.058 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.186 13.769 -19.960 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.064 15.505 -20.334 1.00 0.00 H new ATOM 338 N GLY A 21 -5.249 17.350 -16.639 1.00 0.00 N ATOM 339 CA GLY A 21 -6.490 17.729 -15.959 1.00 0.00 C ATOM 340 C GLY A 21 -7.295 18.752 -16.752 1.00 0.00 C ATOM 341 O GLY A 21 -8.527 18.697 -16.768 1.00 0.00 O ATOM 0 H GLY A 21 -4.402 17.623 -16.141 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.098 16.839 -15.795 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.253 18.139 -14.977 1.00 0.00 H new ATOM 345 N GLY A 22 -6.584 19.679 -17.427 1.00 0.00 N ATOM 346 CA GLY A 22 -7.220 20.717 -18.239 1.00 0.00 C ATOM 347 C GLY A 22 -7.845 20.174 -19.523 1.00 0.00 C ATOM 348 O GLY A 22 -8.949 20.587 -19.892 1.00 0.00 O ATOM 0 H GLY A 22 -5.565 19.723 -17.420 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.991 21.211 -17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.479 21.475 -18.495 1.00 0.00 H new ATOM 352 N LYS A 23 -7.140 19.236 -20.201 1.00 0.00 N ATOM 353 CA LYS A 23 -7.623 18.644 -21.475 1.00 0.00 C ATOM 354 C LYS A 23 -8.778 17.672 -21.199 1.00 0.00 C ATOM 355 O LYS A 23 -9.721 17.594 -21.982 1.00 0.00 O ATOM 356 CB LYS A 23 -6.504 17.905 -22.267 1.00 0.00 C ATOM 357 CG LYS A 23 -5.980 16.608 -21.606 1.00 0.00 C ATOM 358 CD LYS A 23 -5.240 15.682 -22.581 1.00 0.00 C ATOM 359 CE LYS A 23 -4.783 14.375 -21.907 1.00 0.00 C ATOM 360 NZ LYS A 23 -4.130 13.446 -22.858 1.00 0.00 N ATOM 0 H LYS A 23 -6.239 18.874 -19.890 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.964 19.474 -22.094 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.883 17.661 -23.259 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.666 18.588 -22.405 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.310 16.871 -20.788 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.819 16.067 -21.169 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.892 15.447 -23.422 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.372 16.203 -22.986 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.090 14.609 -21.099 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.644 13.882 -21.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.841 12.582 -22.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.798 13.199 -23.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.292 13.904 -23.270 1.00 0.00 H new ATOM 374 N MET A 24 -8.677 16.922 -20.078 1.00 0.00 N ATOM 375 CA MET A 24 -9.712 15.964 -19.675 1.00 0.00 C ATOM 376 C MET A 24 -10.995 16.716 -19.333 1.00 0.00 C ATOM 377 O MET A 24 -12.049 16.366 -19.836 1.00 0.00 O ATOM 378 CB MET A 24 -9.263 15.078 -18.485 1.00 0.00 C ATOM 379 CG MET A 24 -8.255 13.968 -18.833 1.00 0.00 C ATOM 380 SD MET A 24 -8.106 12.717 -17.530 1.00 0.00 S ATOM 381 CE MET A 24 -7.937 13.726 -16.052 1.00 0.00 C ATOM 0 H MET A 24 -7.883 16.968 -19.439 1.00 0.00 H new ATOM 0 HA MET A 24 -9.893 15.292 -20.514 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.822 15.720 -17.722 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.147 14.618 -18.043 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.561 13.484 -19.761 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.278 14.415 -19.014 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.592 13.105 -15.225 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.214 14.521 -16.235 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.902 14.165 -15.798 1.00 0.00 H new ATOM 391 N ALA A 25 -10.863 17.775 -18.505 1.00 0.00 N ATOM 392 CA ALA A 25 -11.979 18.666 -18.133 1.00 0.00 C ATOM 393 C ALA A 25 -12.671 19.210 -19.379 1.00 0.00 C ATOM 394 O ALA A 25 -13.889 19.086 -19.519 1.00 0.00 O ATOM 395 CB ALA A 25 -11.476 19.814 -17.250 1.00 0.00 C ATOM 0 H ALA A 25 -9.975 18.035 -18.075 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.707 18.087 -17.564 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.311 20.462 -16.985 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.030 19.407 -16.343 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.728 20.391 -17.794 1.00 0.00 H new ATOM 401 N LYS A 26 -11.845 19.763 -20.282 1.00 0.00 N ATOM 402 CA LYS A 26 -12.258 20.312 -21.584 1.00 0.00 C ATOM 403 C LYS A 26 -13.209 19.349 -22.315 1.00 0.00 C ATOM 404 O LYS A 26 -14.375 19.697 -22.562 1.00 0.00 O ATOM 405 CB LYS A 26 -10.987 20.596 -22.430 1.00 0.00 C ATOM 406 CG LYS A 26 -11.220 21.218 -23.826 1.00 0.00 C ATOM 407 CD LYS A 26 -9.898 21.376 -24.616 1.00 0.00 C ATOM 408 CE LYS A 26 -8.872 22.284 -23.905 1.00 0.00 C ATOM 409 NZ LYS A 26 -7.591 22.352 -24.649 1.00 0.00 N ATOM 0 H LYS A 26 -10.841 19.843 -20.121 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.806 21.242 -21.430 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.339 21.263 -21.862 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.445 19.659 -22.559 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.909 20.591 -24.392 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.695 22.193 -23.714 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.456 20.392 -24.773 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.117 21.788 -25.601 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.285 23.287 -23.800 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.689 21.907 -22.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.927 22.971 -24.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.184 21.398 -24.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.762 22.735 -25.601 1.00 0.00 H new ATOM 423 N MET A 27 -12.710 18.109 -22.538 1.00 0.00 N ATOM 424 CA MET A 27 -13.443 17.029 -23.237 1.00 0.00 C ATOM 425 C MET A 27 -14.708 16.583 -22.463 1.00 0.00 C ATOM 426 O MET A 27 -15.719 16.227 -23.077 1.00 0.00 O ATOM 427 CB MET A 27 -12.505 15.815 -23.457 1.00 0.00 C ATOM 428 CG MET A 27 -11.313 16.082 -24.394 1.00 0.00 C ATOM 429 SD MET A 27 -10.282 14.620 -24.679 1.00 0.00 S ATOM 430 CE MET A 27 -9.581 14.306 -23.058 1.00 0.00 C ATOM 0 H MET A 27 -11.777 17.829 -22.234 1.00 0.00 H new ATOM 0 HA MET A 27 -13.771 17.425 -24.198 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.123 15.489 -22.490 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.091 14.990 -23.863 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.687 16.446 -25.351 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.697 16.875 -23.970 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.824 13.525 -23.134 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.124 15.219 -22.676 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.369 13.983 -22.377 1.00 0.00 H new ATOM 440 N GLN A 28 -14.638 16.602 -21.117 1.00 0.00 N ATOM 441 CA GLN A 28 -15.787 16.273 -20.233 1.00 0.00 C ATOM 442 C GLN A 28 -16.873 17.367 -20.327 1.00 0.00 C ATOM 443 O GLN A 28 -18.037 17.129 -19.994 1.00 0.00 O ATOM 444 CB GLN A 28 -15.323 16.089 -18.754 1.00 0.00 C ATOM 445 CG GLN A 28 -14.382 14.883 -18.502 1.00 0.00 C ATOM 446 CD GLN A 28 -15.021 13.513 -18.753 1.00 0.00 C ATOM 447 OE1 GLN A 28 -16.224 13.325 -18.581 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.207 12.540 -19.140 1.00 0.00 N ATOM 0 H GLN A 28 -13.788 16.844 -20.608 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.214 15.329 -20.572 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.815 16.999 -18.434 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.206 15.978 -18.124 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.505 14.983 -19.142 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.031 14.922 -17.471 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.214 12.729 -19.274 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.574 11.603 -19.304 1.00 0.00 H new ATOM 457 N GLY A 29 -16.462 18.567 -20.773 1.00 0.00 N ATOM 458 CA GLY A 29 -17.373 19.682 -21.052 1.00 0.00 C ATOM 459 C GLY A 29 -17.035 20.904 -20.215 1.00 0.00 C ATOM 460 O GLY A 29 -17.934 21.650 -19.804 1.00 0.00 O ATOM 0 H GLY A 29 -15.482 18.788 -20.950 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.321 19.939 -22.110 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.399 19.374 -20.849 1.00 0.00 H new ATOM 464 N PHE A 30 -15.722 21.124 -19.970 1.00 0.00 N ATOM 465 CA PHE A 30 -15.246 22.157 -19.010 1.00 0.00 C ATOM 466 C PHE A 30 -14.000 22.871 -19.553 1.00 0.00 C ATOM 467 O PHE A 30 -12.864 22.483 -19.251 1.00 0.00 O ATOM 468 CB PHE A 30 -14.932 21.543 -17.608 1.00 0.00 C ATOM 469 CG PHE A 30 -16.105 20.835 -16.932 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.105 21.564 -16.291 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.206 19.440 -16.931 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.170 20.925 -15.679 1.00 0.00 C ATOM 473 CE2 PHE A 30 -17.270 18.804 -16.319 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.247 19.548 -15.685 1.00 0.00 C ATOM 0 H PHE A 30 -14.971 20.602 -20.422 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.052 22.881 -18.892 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.112 20.833 -17.715 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.581 22.338 -16.951 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.048 22.642 -16.271 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.441 18.851 -17.416 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.942 21.506 -15.196 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.338 17.726 -16.336 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.071 19.051 -15.194 1.00 0.00 H new ATOM 484 N ASP A 31 -14.218 23.887 -20.395 1.00 0.00 N ATOM 485 CA ASP A 31 -13.152 24.787 -20.862 1.00 0.00 C ATOM 486 C ASP A 31 -12.678 25.660 -19.676 1.00 0.00 C ATOM 487 O ASP A 31 -13.276 26.700 -19.360 1.00 0.00 O ATOM 488 CB ASP A 31 -13.643 25.634 -22.082 1.00 0.00 C ATOM 489 CG ASP A 31 -14.967 26.384 -21.830 1.00 0.00 C ATOM 490 OD1 ASP A 31 -16.038 25.737 -21.841 1.00 0.00 O ATOM 491 OD2 ASP A 31 -14.948 27.624 -21.633 1.00 0.00 O ATOM 0 H ASP A 31 -15.138 24.111 -20.774 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.298 24.211 -21.217 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.871 26.358 -22.344 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.768 24.976 -22.942 1.00 0.00 H new ATOM 496 N LEU A 32 -11.644 25.161 -18.968 1.00 0.00 N ATOM 497 CA LEU A 32 -11.111 25.803 -17.754 1.00 0.00 C ATOM 498 C LEU A 32 -10.434 27.153 -18.087 1.00 0.00 C ATOM 499 O LEU A 32 -9.790 27.264 -19.141 1.00 0.00 O ATOM 500 CB LEU A 32 -10.111 24.857 -17.033 1.00 0.00 C ATOM 501 CG LEU A 32 -10.692 23.484 -16.547 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.620 22.658 -15.799 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.968 23.673 -15.678 1.00 0.00 C ATOM 0 H LEU A 32 -11.157 24.302 -19.224 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.948 26.003 -17.085 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.279 24.658 -17.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.703 25.382 -16.170 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.987 22.923 -17.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.052 21.711 -15.474 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.780 22.464 -16.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.272 23.216 -14.930 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.340 22.699 -15.361 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.725 24.272 -14.800 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.735 24.181 -16.263 1.00 0.00 H new ATOM 515 N PRO A 33 -10.585 28.202 -17.201 1.00 0.00 N ATOM 516 CA PRO A 33 -9.959 29.532 -17.413 1.00 0.00 C ATOM 517 C PRO A 33 -8.418 29.438 -17.491 1.00 0.00 C ATOM 518 O PRO A 33 -7.801 28.679 -16.728 1.00 0.00 O ATOM 519 CB PRO A 33 -10.438 30.365 -16.191 1.00 0.00 C ATOM 520 CG PRO A 33 -11.646 29.640 -15.677 1.00 0.00 C ATOM 521 CD PRO A 33 -11.377 28.177 -15.934 1.00 0.00 C ATOM 0 HA PRO A 33 -10.247 29.986 -18.361 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.662 30.429 -15.428 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.684 31.386 -16.482 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.796 29.831 -14.614 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.549 29.969 -16.190 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.819 27.719 -15.117 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.301 27.610 -16.046 1.00 0.00 H new ATOM 529 N GLN A 34 -7.808 30.203 -18.416 1.00 0.00 N ATOM 530 CA GLN A 34 -6.388 30.037 -18.787 1.00 0.00 C ATOM 531 C GLN A 34 -5.596 31.345 -18.599 1.00 0.00 C ATOM 532 O GLN A 34 -4.570 31.341 -17.903 1.00 0.00 O ATOM 533 CB GLN A 34 -6.312 29.516 -20.260 1.00 0.00 C ATOM 534 CG GLN A 34 -4.916 29.055 -20.779 1.00 0.00 C ATOM 535 CD GLN A 34 -4.019 30.195 -21.282 1.00 0.00 C ATOM 536 OE1 GLN A 34 -4.074 30.574 -22.448 1.00 0.00 O ATOM 537 NE2 GLN A 34 -3.172 30.731 -20.421 1.00 0.00 N ATOM 0 H GLN A 34 -8.281 30.949 -18.925 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.924 29.306 -18.125 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.003 28.679 -20.359 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.673 30.307 -20.918 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.399 28.529 -19.976 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.061 28.339 -21.588 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.146 30.398 -19.457 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.545 31.477 -20.720 1.00 0.00 H new ATOM 546 N SER A 35 -6.107 32.450 -19.195 1.00 0.00 N ATOM 547 CA SER A 35 -5.321 33.691 -19.440 1.00 0.00 C ATOM 548 C SER A 35 -4.540 34.259 -18.203 1.00 0.00 C ATOM 549 O SER A 35 -3.336 34.521 -18.350 1.00 0.00 O ATOM 550 CB SER A 35 -6.193 34.788 -20.125 1.00 0.00 C ATOM 551 OG SER A 35 -7.402 35.017 -19.434 1.00 0.00 O ATOM 0 H SER A 35 -7.072 32.509 -19.520 1.00 0.00 H new ATOM 0 HA SER A 35 -4.533 33.381 -20.127 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.627 35.718 -20.180 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.413 34.487 -21.149 1.00 0.00 H new ATOM 0 HG SER A 35 -7.916 35.712 -19.896 1.00 0.00 H new ATOM 557 N PRO A 36 -5.144 34.452 -16.970 1.00 0.00 N ATOM 558 CA PRO A 36 -4.397 35.054 -15.832 1.00 0.00 C ATOM 559 C PRO A 36 -3.317 34.107 -15.245 1.00 0.00 C ATOM 560 O PRO A 36 -2.327 34.600 -14.703 1.00 0.00 O ATOM 561 CB PRO A 36 -5.509 35.388 -14.806 1.00 0.00 C ATOM 562 CG PRO A 36 -6.566 34.372 -15.064 1.00 0.00 C ATOM 563 CD PRO A 36 -6.544 34.115 -16.563 1.00 0.00 C ATOM 0 HA PRO A 36 -3.823 35.930 -16.134 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.138 35.325 -13.783 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.888 36.400 -14.946 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.370 33.455 -14.508 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.543 34.736 -14.745 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.787 33.078 -16.793 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.272 34.737 -17.085 1.00 0.00 H new ATOM 571 N GLN A 37 -3.562 32.758 -15.360 1.00 0.00 N ATOM 572 CA GLN A 37 -2.650 31.618 -14.973 1.00 0.00 C ATOM 573 C GLN A 37 -3.004 30.882 -13.627 1.00 0.00 C ATOM 574 O GLN A 37 -3.228 29.665 -13.678 1.00 0.00 O ATOM 575 CB GLN A 37 -1.111 31.928 -15.075 1.00 0.00 C ATOM 576 CG GLN A 37 -0.588 32.209 -16.517 1.00 0.00 C ATOM 577 CD GLN A 37 -0.787 31.036 -17.489 1.00 0.00 C ATOM 578 OE1 GLN A 37 -0.780 29.866 -17.100 1.00 0.00 O ATOM 579 NE2 GLN A 37 -0.957 31.342 -18.769 1.00 0.00 N ATOM 0 H GLN A 37 -4.444 32.418 -15.744 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.871 30.901 -15.763 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.888 32.792 -14.449 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.558 31.084 -14.662 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.097 33.087 -16.913 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.474 32.451 -16.467 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.959 32.318 -19.064 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.086 30.601 -19.458 1.00 0.00 H new ATOM 588 N PRO A 38 -3.075 31.548 -12.396 1.00 0.00 N ATOM 589 CA PRO A 38 -3.292 30.813 -11.105 1.00 0.00 C ATOM 590 C PRO A 38 -4.660 30.089 -11.042 1.00 0.00 C ATOM 591 O PRO A 38 -4.819 29.080 -10.342 1.00 0.00 O ATOM 592 CB PRO A 38 -3.195 31.918 -10.016 1.00 0.00 C ATOM 593 CG PRO A 38 -2.565 33.098 -10.700 1.00 0.00 C ATOM 594 CD PRO A 38 -2.984 33.006 -12.144 1.00 0.00 C ATOM 0 HA PRO A 38 -2.558 30.017 -10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.180 32.171 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.592 31.585 -9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.901 34.034 -10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.479 33.071 -10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.940 33.502 -12.315 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.256 33.481 -12.802 1.00 0.00 H new ATOM 602 N VAL A 39 -5.623 30.618 -11.809 1.00 0.00 N ATOM 603 CA VAL A 39 -6.995 30.088 -11.878 1.00 0.00 C ATOM 604 C VAL A 39 -7.028 28.663 -12.465 1.00 0.00 C ATOM 605 O VAL A 39 -7.924 27.888 -12.132 1.00 0.00 O ATOM 606 CB VAL A 39 -7.921 31.029 -12.719 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.975 32.447 -12.093 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.467 31.072 -14.201 1.00 0.00 C ATOM 0 H VAL A 39 -5.472 31.432 -12.404 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.369 30.045 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.932 30.623 -12.701 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.624 33.085 -12.693 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.368 32.382 -11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.972 32.872 -12.067 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.126 31.732 -14.764 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.444 31.445 -14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.511 30.068 -14.624 1.00 0.00 H new ATOM 618 N ARG A 40 -6.034 28.344 -13.335 1.00 0.00 N ATOM 619 CA ARG A 40 -5.898 27.007 -13.949 1.00 0.00 C ATOM 620 C ARG A 40 -5.712 25.956 -12.854 1.00 0.00 C ATOM 621 O ARG A 40 -6.405 24.951 -12.829 1.00 0.00 O ATOM 622 CB ARG A 40 -4.685 26.929 -14.925 1.00 0.00 C ATOM 623 CG ARG A 40 -4.754 27.885 -16.130 1.00 0.00 C ATOM 624 CD ARG A 40 -3.708 27.565 -17.220 1.00 0.00 C ATOM 625 NE ARG A 40 -3.793 26.161 -17.707 1.00 0.00 N ATOM 626 CZ ARG A 40 -4.825 25.607 -18.388 1.00 0.00 C ATOM 627 NH1 ARG A 40 -5.946 26.290 -18.637 1.00 0.00 N ATOM 628 NH2 ARG A 40 -4.738 24.341 -18.772 1.00 0.00 N ATOM 0 H ARG A 40 -5.313 29.004 -13.625 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.808 26.818 -14.519 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.774 27.140 -14.365 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.602 25.907 -15.296 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.751 27.837 -16.567 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.607 28.908 -15.783 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.846 28.245 -18.060 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.709 27.747 -16.823 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.996 25.556 -17.508 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.040 27.252 -18.312 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.708 25.849 -19.152 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.902 23.798 -18.554 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.507 23.910 -19.285 1.00 0.00 H new ATOM 642 N VAL A 41 -4.791 26.261 -11.934 1.00 0.00 N ATOM 643 CA VAL A 41 -4.370 25.365 -10.846 1.00 0.00 C ATOM 644 C VAL A 41 -5.578 24.950 -9.963 1.00 0.00 C ATOM 645 O VAL A 41 -5.847 23.749 -9.767 1.00 0.00 O ATOM 646 CB VAL A 41 -3.225 26.068 -10.008 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.786 25.234 -8.792 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.010 26.395 -10.919 1.00 0.00 C ATOM 0 H VAL A 41 -4.305 27.158 -11.923 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.970 24.443 -11.267 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.638 26.998 -9.618 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.999 25.762 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.638 25.079 -8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.409 24.269 -9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.232 26.878 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.619 25.473 -11.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.325 27.064 -11.720 1.00 0.00 H new ATOM 658 N LYS A 42 -6.339 25.958 -9.525 1.00 0.00 N ATOM 659 CA LYS A 42 -7.500 25.774 -8.633 1.00 0.00 C ATOM 660 C LYS A 42 -8.661 25.058 -9.390 1.00 0.00 C ATOM 661 O LYS A 42 -9.343 24.187 -8.824 1.00 0.00 O ATOM 662 CB LYS A 42 -7.930 27.174 -8.062 1.00 0.00 C ATOM 663 CG LYS A 42 -8.687 27.161 -6.698 1.00 0.00 C ATOM 664 CD LYS A 42 -10.146 26.645 -6.785 1.00 0.00 C ATOM 665 CE LYS A 42 -11.035 27.502 -7.712 1.00 0.00 C ATOM 666 NZ LYS A 42 -11.158 28.907 -7.246 1.00 0.00 N ATOM 0 H LYS A 42 -6.170 26.932 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.233 25.131 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.036 27.788 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.564 27.665 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.135 26.538 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.695 28.172 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.141 25.616 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.581 26.631 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.619 27.492 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.027 27.055 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.818 29.421 -7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.517 28.919 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.225 29.366 -7.278 1.00 0.00 H new ATOM 680 N ALA A 43 -8.855 25.425 -10.671 1.00 0.00 N ATOM 681 CA ALA A 43 -9.923 24.860 -11.536 1.00 0.00 C ATOM 682 C ALA A 43 -9.707 23.357 -11.804 1.00 0.00 C ATOM 683 O ALA A 43 -10.652 22.554 -11.722 1.00 0.00 O ATOM 684 CB ALA A 43 -9.993 25.627 -12.868 1.00 0.00 C ATOM 0 H ALA A 43 -8.278 26.122 -11.141 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.868 24.972 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.780 25.202 -13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.212 26.677 -12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.037 25.546 -13.385 1.00 0.00 H new ATOM 690 N VAL A 44 -8.449 23.001 -12.125 1.00 0.00 N ATOM 691 CA VAL A 44 -8.026 21.608 -12.357 1.00 0.00 C ATOM 692 C VAL A 44 -8.265 20.772 -11.094 1.00 0.00 C ATOM 693 O VAL A 44 -8.822 19.685 -11.182 1.00 0.00 O ATOM 694 CB VAL A 44 -6.516 21.513 -12.811 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.006 20.050 -12.841 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.318 22.177 -14.194 1.00 0.00 C ATOM 0 H VAL A 44 -7.693 23.677 -12.231 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.629 21.209 -13.172 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.925 22.051 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.963 20.035 -13.159 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.088 19.616 -11.845 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.607 19.469 -13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.271 22.100 -14.488 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.940 21.672 -14.933 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.603 23.228 -14.137 1.00 0.00 H new ATOM 706 N TYR A 45 -7.870 21.326 -9.933 1.00 0.00 N ATOM 707 CA TYR A 45 -8.112 20.721 -8.611 1.00 0.00 C ATOM 708 C TYR A 45 -9.595 20.329 -8.417 1.00 0.00 C ATOM 709 O TYR A 45 -9.884 19.171 -8.100 1.00 0.00 O ATOM 710 CB TYR A 45 -7.636 21.702 -7.509 1.00 0.00 C ATOM 711 CG TYR A 45 -8.213 21.479 -6.108 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.741 20.460 -5.269 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.241 22.297 -5.624 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.282 20.271 -4.008 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.771 22.112 -4.371 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.294 21.102 -3.570 1.00 0.00 C ATOM 717 OH TYR A 45 -9.849 20.920 -2.330 1.00 0.00 O ATOM 0 H TYR A 45 -7.370 22.214 -9.886 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.540 19.796 -8.540 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.549 21.644 -7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.883 22.716 -7.823 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.945 19.814 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.625 23.090 -6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.915 19.479 -3.372 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.560 22.758 -4.016 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.546 21.592 -2.182 1.00 0.00 H new ATOM 727 N LEU A 46 -10.511 21.305 -8.623 1.00 0.00 N ATOM 728 CA LEU A 46 -11.973 21.090 -8.478 1.00 0.00 C ATOM 729 C LEU A 46 -12.451 19.927 -9.358 1.00 0.00 C ATOM 730 O LEU A 46 -13.134 19.001 -8.880 1.00 0.00 O ATOM 731 CB LEU A 46 -12.773 22.372 -8.842 1.00 0.00 C ATOM 732 CG LEU A 46 -12.569 23.599 -7.903 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.439 24.789 -8.362 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.843 23.233 -6.424 1.00 0.00 C ATOM 0 H LEU A 46 -10.261 22.257 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.156 20.845 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.504 22.668 -9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.834 22.122 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.524 23.902 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.281 25.635 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.161 25.073 -9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.490 24.501 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.691 24.112 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.871 22.886 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.160 22.443 -6.112 1.00 0.00 H new ATOM 746 N PHE A 47 -12.041 19.981 -10.637 1.00 0.00 N ATOM 747 CA PHE A 47 -12.356 18.952 -11.634 1.00 0.00 C ATOM 748 C PHE A 47 -11.884 17.557 -11.164 1.00 0.00 C ATOM 749 O PHE A 47 -12.656 16.605 -11.215 1.00 0.00 O ATOM 750 CB PHE A 47 -11.727 19.318 -13.018 1.00 0.00 C ATOM 751 CG PHE A 47 -11.607 18.131 -13.983 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.741 17.520 -14.529 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.356 17.589 -14.298 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.623 16.415 -15.355 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.243 16.497 -15.130 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.377 15.903 -15.653 1.00 0.00 C ATOM 0 H PHE A 47 -11.478 20.747 -11.007 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.439 18.913 -11.750 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.332 20.094 -13.487 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.736 19.742 -12.854 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.720 17.915 -14.303 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.464 18.034 -13.882 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.508 15.953 -15.767 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.267 16.104 -15.374 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.287 15.039 -16.294 1.00 0.00 H new ATOM 766 N LEU A 48 -10.623 17.468 -10.709 1.00 0.00 N ATOM 767 CA LEU A 48 -9.994 16.198 -10.299 1.00 0.00 C ATOM 768 C LEU A 48 -10.703 15.577 -9.085 1.00 0.00 C ATOM 769 O LEU A 48 -10.826 14.358 -9.003 1.00 0.00 O ATOM 770 CB LEU A 48 -8.490 16.392 -9.984 1.00 0.00 C ATOM 771 CG LEU A 48 -7.569 16.808 -11.169 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.110 16.935 -10.694 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.694 15.838 -12.367 1.00 0.00 C ATOM 0 H LEU A 48 -10.008 18.276 -10.614 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.092 15.513 -11.141 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.402 17.148 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.108 15.460 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.900 17.784 -11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.478 17.226 -11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.046 17.692 -9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.771 15.977 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.035 16.166 -13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.411 14.833 -12.053 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.724 15.830 -12.723 1.00 0.00 H new ATOM 785 N VAL A 49 -11.162 16.420 -8.147 1.00 0.00 N ATOM 786 CA VAL A 49 -11.892 15.943 -6.957 1.00 0.00 C ATOM 787 C VAL A 49 -13.250 15.328 -7.372 1.00 0.00 C ATOM 788 O VAL A 49 -13.601 14.222 -6.942 1.00 0.00 O ATOM 789 CB VAL A 49 -12.100 17.074 -5.879 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.909 16.552 -4.663 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.744 17.665 -5.414 1.00 0.00 C ATOM 0 H VAL A 49 -11.042 17.432 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.277 15.174 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.674 17.871 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.035 17.356 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.888 16.208 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.373 15.724 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.922 18.442 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.134 16.875 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.221 18.093 -6.269 1.00 0.00 H new ATOM 801 N ASP A 50 -13.983 16.038 -8.248 1.00 0.00 N ATOM 802 CA ASP A 50 -15.283 15.567 -8.784 1.00 0.00 C ATOM 803 C ASP A 50 -15.121 14.370 -9.749 1.00 0.00 C ATOM 804 O ASP A 50 -16.029 13.541 -9.875 1.00 0.00 O ATOM 805 CB ASP A 50 -16.027 16.742 -9.472 1.00 0.00 C ATOM 806 CG ASP A 50 -16.647 17.712 -8.453 1.00 0.00 C ATOM 807 OD1 ASP A 50 -17.770 17.439 -7.971 1.00 0.00 O ATOM 808 OD2 ASP A 50 -16.016 18.728 -8.108 1.00 0.00 O ATOM 0 H ASP A 50 -13.698 16.950 -8.606 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.880 15.210 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.332 17.285 -10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.811 16.346 -10.117 1.00 0.00 H new ATOM 813 N ALA A 51 -13.951 14.274 -10.401 1.00 0.00 N ATOM 814 CA ALA A 51 -13.608 13.157 -11.312 1.00 0.00 C ATOM 815 C ALA A 51 -13.029 11.959 -10.521 1.00 0.00 C ATOM 816 O ALA A 51 -12.635 10.946 -11.122 1.00 0.00 O ATOM 817 CB ALA A 51 -12.616 13.640 -12.388 1.00 0.00 C ATOM 0 H ALA A 51 -13.210 14.969 -10.314 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.518 12.817 -11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.369 12.812 -13.053 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.069 14.447 -12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.707 14.003 -11.908 1.00 0.00 H new ATOM 823 N LYS A 52 -12.968 12.115 -9.171 1.00 0.00 N ATOM 824 CA LYS A 52 -12.541 11.074 -8.201 1.00 0.00 C ATOM 825 C LYS A 52 -11.062 10.664 -8.404 1.00 0.00 C ATOM 826 O LYS A 52 -10.634 9.575 -8.003 1.00 0.00 O ATOM 827 CB LYS A 52 -13.512 9.848 -8.217 1.00 0.00 C ATOM 828 CG LYS A 52 -15.017 10.207 -8.032 1.00 0.00 C ATOM 829 CD LYS A 52 -15.322 11.049 -6.762 1.00 0.00 C ATOM 830 CE LYS A 52 -14.965 10.323 -5.450 1.00 0.00 C ATOM 831 NZ LYS A 52 -15.207 11.170 -4.252 1.00 0.00 N ATOM 0 H LYS A 52 -13.222 12.992 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.600 11.511 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.392 9.319 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.217 9.158 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.358 10.757 -8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.596 9.284 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.767 11.986 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.381 11.306 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.554 9.409 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.917 10.025 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.953 10.639 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.626 12.030 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.212 11.434 -4.210 1.00 0.00 H new ATOM 845 N GLN A 53 -10.299 11.590 -9.007 1.00 0.00 N ATOM 846 CA GLN A 53 -8.859 11.464 -9.248 1.00 0.00 C ATOM 847 C GLN A 53 -8.079 11.714 -7.942 1.00 0.00 C ATOM 848 O GLN A 53 -7.177 10.945 -7.588 1.00 0.00 O ATOM 849 CB GLN A 53 -8.429 12.483 -10.338 1.00 0.00 C ATOM 850 CG GLN A 53 -9.161 12.335 -11.690 1.00 0.00 C ATOM 851 CD GLN A 53 -8.897 11.004 -12.409 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.812 10.424 -12.314 1.00 0.00 O ATOM 853 NE2 GLN A 53 -9.895 10.506 -13.127 1.00 0.00 N ATOM 0 H GLN A 53 -10.682 12.471 -9.349 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.636 10.455 -9.594 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.597 13.491 -9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.357 12.381 -10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.233 12.438 -11.523 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.861 13.154 -12.344 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.781 11.009 -13.187 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.777 9.621 -13.619 1.00 0.00 H new ATOM 862 N ILE A 54 -8.445 12.811 -7.235 1.00 0.00 N ATOM 863 CA ILE A 54 -7.895 13.154 -5.902 1.00 0.00 C ATOM 864 C ILE A 54 -9.028 13.441 -4.912 1.00 0.00 C ATOM 865 O ILE A 54 -10.125 13.827 -5.308 1.00 0.00 O ATOM 866 CB ILE A 54 -6.933 14.411 -5.923 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.665 15.664 -6.509 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.636 14.097 -6.685 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.842 16.941 -6.549 1.00 0.00 C ATOM 0 H ILE A 54 -9.132 13.484 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.313 12.286 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.656 14.648 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.993 15.431 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.562 15.849 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.992 14.976 -6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.120 13.269 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.875 13.822 -7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.442 17.747 -6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.536 17.208 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.957 16.785 -7.166 1.00 0.00 H new ATOM 881 N ALA A 55 -8.728 13.254 -3.622 1.00 0.00 N ATOM 882 CA ALA A 55 -9.587 13.704 -2.521 1.00 0.00 C ATOM 883 C ALA A 55 -9.430 15.245 -2.350 1.00 0.00 C ATOM 884 O ALA A 55 -8.424 15.810 -2.814 1.00 0.00 O ATOM 885 CB ALA A 55 -9.213 12.935 -1.238 1.00 0.00 C ATOM 0 H ALA A 55 -7.878 12.784 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.635 13.497 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.849 13.266 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.356 11.867 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.169 13.128 -0.989 1.00 0.00 H new ATOM 891 N PRO A 56 -10.415 15.963 -1.723 1.00 0.00 N ATOM 892 CA PRO A 56 -10.311 17.421 -1.511 1.00 0.00 C ATOM 893 C PRO A 56 -9.396 17.800 -0.325 1.00 0.00 C ATOM 894 O PRO A 56 -8.941 16.951 0.442 1.00 0.00 O ATOM 895 CB PRO A 56 -11.779 17.829 -1.245 1.00 0.00 C ATOM 896 CG PRO A 56 -12.374 16.636 -0.562 1.00 0.00 C ATOM 897 CD PRO A 56 -11.709 15.429 -1.194 1.00 0.00 C ATOM 0 HA PRO A 56 -9.855 17.931 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.838 18.718 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.303 18.059 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.190 16.667 0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.455 16.605 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.545 14.636 -0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.322 15.007 -1.991 1.00 0.00 H new ATOM 905 N LEU A 57 -9.100 19.094 -0.253 1.00 0.00 N ATOM 906 CA LEU A 57 -8.478 19.755 0.894 1.00 0.00 C ATOM 907 C LEU A 57 -9.583 20.374 1.767 1.00 0.00 C ATOM 908 O LEU A 57 -10.608 20.817 1.224 1.00 0.00 O ATOM 909 CB LEU A 57 -7.534 20.877 0.385 1.00 0.00 C ATOM 910 CG LEU A 57 -6.241 20.402 -0.349 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.604 21.553 -1.161 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.225 19.790 0.657 1.00 0.00 C ATOM 0 H LEU A 57 -9.293 19.737 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.905 19.034 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.097 21.519 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.240 21.491 1.236 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.523 19.621 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.705 21.192 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.315 21.910 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.342 22.370 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.333 19.466 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.951 20.540 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.678 18.934 1.157 1.00 0.00 H new ATOM 924 N PRO A 58 -9.408 20.429 3.125 1.00 0.00 N ATOM 925 CA PRO A 58 -10.326 21.190 4.006 1.00 0.00 C ATOM 926 C PRO A 58 -10.135 22.708 3.821 1.00 0.00 C ATOM 927 O PRO A 58 -9.156 23.140 3.199 1.00 0.00 O ATOM 928 CB PRO A 58 -9.912 20.720 5.419 1.00 0.00 C ATOM 929 CG PRO A 58 -8.464 20.364 5.288 1.00 0.00 C ATOM 930 CD PRO A 58 -8.321 19.766 3.905 1.00 0.00 C ATOM 0 HA PRO A 58 -11.381 21.015 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.062 21.507 6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.504 19.863 5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.831 21.244 5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.163 19.652 6.057 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.339 19.971 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.442 18.683 3.921 1.00 0.00 H new ATOM 938 N ASP A 59 -11.063 23.513 4.373 1.00 0.00 N ATOM 939 CA ASP A 59 -11.048 24.989 4.212 1.00 0.00 C ATOM 940 C ASP A 59 -9.742 25.608 4.771 1.00 0.00 C ATOM 941 O ASP A 59 -9.213 26.574 4.209 1.00 0.00 O ATOM 942 CB ASP A 59 -12.287 25.623 4.902 1.00 0.00 C ATOM 943 CG ASP A 59 -12.418 27.145 4.645 1.00 0.00 C ATOM 944 OD1 ASP A 59 -12.918 27.537 3.565 1.00 0.00 O ATOM 945 OD2 ASP A 59 -12.032 27.956 5.517 1.00 0.00 O ATOM 0 H ASP A 59 -11.839 23.168 4.938 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.089 25.207 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.188 25.123 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.226 25.447 5.976 1.00 0.00 H new ATOM 950 N SER A 60 -9.226 25.012 5.863 1.00 0.00 N ATOM 951 CA SER A 60 -7.972 25.441 6.515 1.00 0.00 C ATOM 952 C SER A 60 -6.734 25.191 5.615 1.00 0.00 C ATOM 953 O SER A 60 -5.759 25.949 5.671 1.00 0.00 O ATOM 954 CB SER A 60 -7.804 24.702 7.865 1.00 0.00 C ATOM 955 OG SER A 60 -8.908 24.941 8.732 1.00 0.00 O ATOM 0 H SER A 60 -9.669 24.215 6.321 1.00 0.00 H new ATOM 0 HA SER A 60 -8.039 26.515 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.706 23.631 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.883 25.029 8.348 1.00 0.00 H new ATOM 0 HG SER A 60 -8.772 24.459 9.575 1.00 0.00 H new ATOM 961 N LYS A 61 -6.786 24.121 4.786 1.00 0.00 N ATOM 962 CA LYS A 61 -5.675 23.743 3.872 1.00 0.00 C ATOM 963 C LYS A 61 -6.026 24.030 2.413 1.00 0.00 C ATOM 964 O LYS A 61 -5.339 23.567 1.500 1.00 0.00 O ATOM 965 CB LYS A 61 -5.279 22.250 4.074 1.00 0.00 C ATOM 966 CG LYS A 61 -4.710 21.956 5.479 1.00 0.00 C ATOM 967 CD LYS A 61 -3.479 22.840 5.808 1.00 0.00 C ATOM 968 CE LYS A 61 -3.016 22.709 7.257 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.876 23.615 7.559 1.00 0.00 N ATOM 0 H LYS A 61 -7.592 23.498 4.730 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.812 24.360 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.154 21.623 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.538 21.973 3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.486 22.124 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.428 20.905 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.657 22.569 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.723 23.883 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.847 22.936 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.722 21.678 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.592 23.496 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.074 23.383 6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.164 24.601 7.397 1.00 0.00 H new ATOM 983 N LEU A 62 -7.076 24.830 2.202 1.00 0.00 N ATOM 984 CA LEU A 62 -7.455 25.314 0.868 1.00 0.00 C ATOM 985 C LEU A 62 -6.604 26.562 0.583 1.00 0.00 C ATOM 986 O LEU A 62 -7.036 27.700 0.783 1.00 0.00 O ATOM 987 CB LEU A 62 -8.998 25.592 0.787 1.00 0.00 C ATOM 988 CG LEU A 62 -9.680 25.382 -0.608 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.161 26.361 -1.683 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.532 23.917 -1.063 1.00 0.00 C ATOM 0 H LEU A 62 -7.687 25.161 2.949 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.260 24.562 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.498 24.948 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.175 26.621 1.101 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.740 25.605 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.670 26.167 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.358 27.386 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.088 26.222 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.011 23.787 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.474 23.666 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.006 23.260 -0.334 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.359 26.295 0.186 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.318 27.299 -0.075 1.00 0.00 C ATOM 1004 C ASP A 63 -3.645 26.963 -1.413 1.00 0.00 C ATOM 1005 O ASP A 63 -3.510 25.792 -1.736 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.297 27.299 1.096 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.995 28.084 0.812 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.960 29.315 1.032 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.005 27.465 0.354 1.00 0.00 O ATOM 0 H ASP A 63 -5.033 25.341 0.031 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.747 28.299 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.776 27.722 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.039 26.268 1.337 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.204 28.004 -2.150 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.678 27.869 -3.518 1.00 0.00 C ATOM 1016 C GLY A 64 -1.545 26.850 -3.661 1.00 0.00 C ATOM 1017 O GLY A 64 -1.551 26.049 -4.597 1.00 0.00 O ATOM 0 H GLY A 64 -3.204 28.965 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.494 27.583 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.320 28.842 -3.854 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.600 26.857 -2.704 1.00 0.00 N ATOM 1022 CA ALA A 65 0.556 25.928 -2.701 1.00 0.00 C ATOM 1023 C ALA A 65 0.095 24.480 -2.432 1.00 0.00 C ATOM 1024 O ALA A 65 0.632 23.528 -3.011 1.00 0.00 O ATOM 1025 CB ALA A 65 1.583 26.369 -1.651 1.00 0.00 C ATOM 0 H ALA A 65 -0.611 27.501 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 65 1.025 25.956 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.428 25.680 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.933 27.375 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.119 26.366 -0.665 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.912 24.339 -1.546 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.532 23.035 -1.213 1.00 0.00 C ATOM 1033 C ASN A 66 -2.243 22.436 -2.439 1.00 0.00 C ATOM 1034 O ASN A 66 -2.146 21.228 -2.687 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.526 23.178 -0.027 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.826 23.397 1.314 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.597 22.450 2.065 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.421 24.625 1.604 1.00 0.00 N ATOM 0 H ASN A 66 -1.320 25.125 -1.040 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.735 22.355 -0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.197 24.014 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.143 22.281 0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.907 24.802 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.624 25.393 0.964 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.956 23.303 -3.194 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.613 22.936 -4.464 1.00 0.00 C ATOM 1047 C ILE A 67 -2.572 22.348 -5.455 1.00 0.00 C ATOM 1048 O ILE A 67 -2.766 21.250 -5.992 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.327 24.174 -5.140 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.377 24.853 -4.197 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.993 23.762 -6.469 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.571 23.990 -3.846 1.00 0.00 C ATOM 0 H ILE A 67 -3.091 24.281 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.372 22.190 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.549 24.911 -5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.877 25.149 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.734 25.766 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.478 24.629 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.235 23.377 -7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.737 22.988 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.241 24.546 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.101 23.714 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.231 23.088 -3.337 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.453 23.089 -5.637 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.339 22.706 -6.537 1.00 0.00 C ATOM 1066 C LYS A 68 0.233 21.331 -6.154 1.00 0.00 C ATOM 1067 O LYS A 68 0.560 20.514 -7.021 1.00 0.00 O ATOM 1068 CB LYS A 68 0.788 23.777 -6.482 1.00 0.00 C ATOM 1069 CG LYS A 68 0.374 25.165 -7.008 1.00 0.00 C ATOM 1070 CD LYS A 68 1.526 26.192 -6.978 1.00 0.00 C ATOM 1071 CE LYS A 68 1.088 27.595 -7.442 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.238 28.536 -7.535 1.00 0.00 N ATOM 0 H LYS A 68 -1.297 23.977 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.732 22.646 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.126 23.879 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.639 23.421 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.010 25.066 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.456 25.541 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.922 26.257 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.337 25.840 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.602 27.520 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.349 27.993 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.900 29.468 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.687 28.628 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.932 28.170 -8.218 1.00 0.00 H new ATOM 1086 N HIS A 69 0.315 21.094 -4.839 1.00 0.00 N ATOM 1087 CA HIS A 69 0.852 19.852 -4.266 1.00 0.00 C ATOM 1088 C HIS A 69 -0.088 18.651 -4.542 1.00 0.00 C ATOM 1089 O HIS A 69 0.388 17.538 -4.780 1.00 0.00 O ATOM 1090 CB HIS A 69 1.107 20.060 -2.749 1.00 0.00 C ATOM 1091 CG HIS A 69 1.862 18.941 -2.077 1.00 0.00 C ATOM 1092 ND1 HIS A 69 3.150 18.582 -2.419 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.510 18.116 -1.069 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.550 17.590 -1.652 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.574 17.288 -0.821 1.00 0.00 N ATOM 0 H HIS A 69 0.008 21.765 -4.135 1.00 0.00 H new ATOM 0 HA HIS A 69 1.800 19.612 -4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.662 20.988 -2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.148 20.185 -2.247 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.707 19.019 -3.154 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.562 18.109 -0.552 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.514 17.106 -1.697 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.419 18.899 -4.543 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.437 17.861 -4.875 1.00 0.00 C ATOM 1106 C ARG A 70 -2.317 17.448 -6.348 1.00 0.00 C ATOM 1107 O ARG A 70 -2.363 16.258 -6.674 1.00 0.00 O ATOM 1108 CB ARG A 70 -3.886 18.364 -4.613 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.164 18.796 -3.169 1.00 0.00 C ATOM 1110 CD ARG A 70 -3.960 17.671 -2.131 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.071 16.698 -2.080 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.286 15.833 -1.065 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.458 15.775 -0.029 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.320 15.025 -1.095 1.00 0.00 N ATOM 0 H ARG A 70 -1.819 19.810 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.243 17.006 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.089 19.206 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.585 17.572 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.511 19.632 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.189 19.160 -3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.036 17.141 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.835 18.118 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.721 16.678 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.645 16.389 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.635 15.116 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.963 15.049 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.480 14.373 -0.327 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.162 18.465 -7.214 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.022 18.282 -8.669 1.00 0.00 C ATOM 1130 C LEU A 71 -0.737 17.502 -9.000 1.00 0.00 C ATOM 1131 O LEU A 71 -0.731 16.619 -9.871 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.986 19.660 -9.384 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.196 20.611 -9.138 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.110 21.857 -10.035 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.546 19.887 -9.313 1.00 0.00 C ATOM 0 H LEU A 71 -2.130 19.442 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.882 17.713 -9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.078 20.179 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.905 19.484 -10.457 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.143 20.938 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.966 22.503 -9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.190 22.399 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.113 21.553 -11.082 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.361 20.588 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.621 19.497 -10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.612 19.063 -8.603 1.00 0.00 H new ATOM 1147 N ALA A 72 0.331 17.856 -8.270 1.00 0.00 N ATOM 1148 CA ALA A 72 1.665 17.273 -8.423 1.00 0.00 C ATOM 1149 C ALA A 72 1.661 15.770 -8.106 1.00 0.00 C ATOM 1150 O ALA A 72 2.143 14.967 -8.900 1.00 0.00 O ATOM 1151 CB ALA A 72 2.661 18.008 -7.523 1.00 0.00 C ATOM 0 H ALA A 72 0.287 18.570 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 72 1.969 17.389 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.652 17.569 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.695 19.061 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.347 17.918 -6.483 1.00 0.00 H new ATOM 1157 N LEU A 73 1.096 15.414 -6.939 1.00 0.00 N ATOM 1158 CA LEU A 73 1.018 14.015 -6.470 1.00 0.00 C ATOM 1159 C LEU A 73 0.056 13.179 -7.333 1.00 0.00 C ATOM 1160 O LEU A 73 0.295 11.970 -7.544 1.00 0.00 O ATOM 1161 CB LEU A 73 0.580 13.981 -4.988 1.00 0.00 C ATOM 1162 CG LEU A 73 1.560 14.677 -3.992 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.949 14.756 -2.583 1.00 0.00 C ATOM 1164 CD2 LEU A 73 2.948 13.985 -3.977 1.00 0.00 C ATOM 0 H LEU A 73 0.680 16.085 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 73 2.010 13.573 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.398 14.456 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.457 12.941 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 73 1.718 15.697 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.652 15.245 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.023 15.329 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.739 13.750 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.603 14.498 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.832 12.944 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.386 14.026 -4.974 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.017 13.838 -7.829 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.989 13.205 -8.734 1.00 0.00 C ATOM 1178 C TRP A 74 -1.283 12.692 -9.989 1.00 0.00 C ATOM 1179 O TRP A 74 -1.263 11.484 -10.246 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.125 14.180 -9.165 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.993 13.604 -10.271 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.818 12.520 -10.187 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.069 14.058 -11.631 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.392 12.276 -11.408 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -4.950 13.205 -12.306 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.464 15.098 -12.336 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.262 13.367 -13.643 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.772 15.263 -13.667 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.657 14.394 -14.312 1.00 0.00 C ATOM 0 H TRP A 74 -1.227 14.812 -7.613 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.439 12.380 -8.182 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.748 14.412 -8.301 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.686 15.119 -9.503 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -4.993 11.941 -9.292 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.046 11.520 -11.613 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.767 15.762 -11.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.957 12.707 -14.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.324 16.075 -14.221 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.867 14.537 -15.362 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.699 13.639 -10.749 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.057 13.340 -12.028 1.00 0.00 C ATOM 1202 C ILE A 75 1.164 12.436 -11.803 1.00 0.00 C ATOM 1203 O ILE A 75 1.444 11.595 -12.624 1.00 0.00 O ATOM 1204 CB ILE A 75 0.325 14.642 -12.830 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.733 14.311 -14.307 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.431 15.431 -12.113 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.339 13.604 -15.124 1.00 0.00 C ATOM 0 H ILE A 75 -0.663 14.625 -10.489 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.779 12.807 -12.646 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.563 15.272 -12.870 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.001 15.239 -14.812 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.627 13.688 -14.291 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.673 16.324 -12.690 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.085 15.722 -11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.320 14.807 -12.019 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.035 13.417 -16.131 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.592 12.656 -14.649 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.228 14.232 -15.178 1.00 0.00 H new ATOM 1219 N HIS A 76 1.817 12.565 -10.630 1.00 0.00 N ATOM 1220 CA HIS A 76 2.968 11.722 -10.241 1.00 0.00 C ATOM 1221 C HIS A 76 2.570 10.232 -10.228 1.00 0.00 C ATOM 1222 O HIS A 76 3.332 9.361 -10.666 1.00 0.00 O ATOM 1223 CB HIS A 76 3.485 12.146 -8.839 1.00 0.00 C ATOM 1224 CG HIS A 76 4.874 11.689 -8.528 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.233 11.121 -7.327 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.014 11.785 -9.253 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.523 10.890 -7.331 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.019 11.277 -8.488 1.00 0.00 N ATOM 0 H HIS A 76 1.562 13.257 -9.925 1.00 0.00 H new ATOM 0 HA HIS A 76 3.763 11.861 -10.973 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.448 13.233 -8.765 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.808 11.752 -8.081 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.108 12.189 -10.250 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.086 10.454 -6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.998 11.207 -8.766 1.00 0.00 H new ATOM 1237 N ALA A 77 1.350 9.976 -9.723 1.00 0.00 N ATOM 1238 CA ALA A 77 0.746 8.634 -9.689 1.00 0.00 C ATOM 1239 C ALA A 77 0.058 8.278 -11.028 1.00 0.00 C ATOM 1240 O ALA A 77 -0.077 7.097 -11.366 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.243 8.553 -8.521 1.00 0.00 C ATOM 0 H ALA A 77 0.752 10.700 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 77 1.539 7.901 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.692 7.560 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.283 8.740 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.024 9.301 -8.653 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.361 9.312 -11.781 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.093 9.155 -13.062 1.00 0.00 C ATOM 1249 C ALA A 78 -0.133 8.896 -14.248 1.00 0.00 C ATOM 1250 O ALA A 78 -0.575 8.432 -15.310 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.969 10.395 -13.333 1.00 0.00 C ATOM 0 H ALA A 78 -0.203 10.286 -11.521 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.736 8.280 -12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.500 10.266 -14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.690 10.515 -12.524 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.337 11.281 -13.391 1.00 0.00 H new ATOM 1257 N LEU A 79 1.165 9.216 -14.057 1.00 0.00 N ATOM 1258 CA LEU A 79 2.238 8.909 -15.023 1.00 0.00 C ATOM 1259 C LEU A 79 2.537 7.391 -14.991 1.00 0.00 C ATOM 1260 O LEU A 79 3.036 6.901 -13.966 1.00 0.00 O ATOM 1261 CB LEU A 79 3.523 9.715 -14.685 1.00 0.00 C ATOM 1262 CG LEU A 79 3.447 11.265 -14.851 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.727 11.941 -14.314 1.00 0.00 C ATOM 1264 CD2 LEU A 79 3.141 11.673 -16.315 1.00 0.00 C ATOM 0 H LEU A 79 1.498 9.698 -13.222 1.00 0.00 H new ATOM 0 HA LEU A 79 1.910 9.194 -16.023 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.799 9.497 -13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.331 9.345 -15.316 1.00 0.00 H new ATOM 0 HG LEU A 79 2.612 11.624 -14.249 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.649 13.021 -14.441 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.845 11.708 -13.256 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.592 11.572 -14.865 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.096 12.760 -16.388 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.928 11.297 -16.969 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.184 11.249 -16.618 1.00 0.00 H new ATOM 1276 N PRO A 80 2.223 6.625 -16.098 1.00 0.00 N ATOM 1277 CA PRO A 80 2.315 5.131 -16.129 1.00 0.00 C ATOM 1278 C PRO A 80 3.703 4.569 -15.739 1.00 0.00 C ATOM 1279 O PRO A 80 3.799 3.525 -15.078 1.00 0.00 O ATOM 1280 CB PRO A 80 1.956 4.778 -17.597 1.00 0.00 C ATOM 1281 CG PRO A 80 1.120 5.932 -18.061 1.00 0.00 C ATOM 1282 CD PRO A 80 1.725 7.153 -17.404 1.00 0.00 C ATOM 0 HA PRO A 80 1.651 4.684 -15.389 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.851 4.663 -18.209 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.406 3.839 -17.657 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.139 6.020 -19.147 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.077 5.805 -17.770 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.533 7.574 -18.003 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.987 7.943 -17.264 1.00 0.00 H new ATOM 1290 N ASP A 81 4.767 5.283 -16.147 1.00 0.00 N ATOM 1291 CA ASP A 81 6.174 4.879 -15.888 1.00 0.00 C ATOM 1292 C ASP A 81 6.875 5.857 -14.928 1.00 0.00 C ATOM 1293 O ASP A 81 8.080 5.718 -14.685 1.00 0.00 O ATOM 1294 CB ASP A 81 6.966 4.798 -17.221 1.00 0.00 C ATOM 1295 CG ASP A 81 6.426 3.730 -18.180 1.00 0.00 C ATOM 1296 OD1 ASP A 81 5.487 4.027 -18.948 1.00 0.00 O ATOM 1297 OD2 ASP A 81 6.932 2.587 -18.166 1.00 0.00 O ATOM 0 H ASP A 81 4.683 6.157 -16.666 1.00 0.00 H new ATOM 0 HA ASP A 81 6.152 3.896 -15.418 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.935 5.769 -17.714 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.012 4.585 -17.002 1.00 0.00 H new ATOM 1302 N ASN A 82 6.098 6.817 -14.376 1.00 0.00 N ATOM 1303 CA ASN A 82 6.616 7.953 -13.581 1.00 0.00 C ATOM 1304 C ASN A 82 7.601 8.768 -14.448 1.00 0.00 C ATOM 1305 O ASN A 82 8.821 8.722 -14.252 1.00 0.00 O ATOM 1306 CB ASN A 82 7.267 7.489 -12.239 1.00 0.00 C ATOM 1307 CG ASN A 82 7.372 8.600 -11.189 1.00 0.00 C ATOM 1308 OD1 ASN A 82 8.352 9.351 -11.133 1.00 0.00 O ATOM 1309 ND2 ASN A 82 6.356 8.705 -10.337 1.00 0.00 N ATOM 0 H ASN A 82 5.083 6.824 -14.471 1.00 0.00 H new ATOM 0 HA ASN A 82 5.779 8.591 -13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.683 6.666 -11.827 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.264 7.100 -12.445 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.371 9.421 -9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.562 8.069 -10.410 1.00 0.00 H new ATOM 1316 N ASP A 83 7.031 9.457 -15.450 1.00 0.00 N ATOM 1317 CA ASP A 83 7.774 10.221 -16.476 1.00 0.00 C ATOM 1318 C ASP A 83 8.683 11.305 -15.845 1.00 0.00 C ATOM 1319 O ASP A 83 8.350 11.842 -14.782 1.00 0.00 O ATOM 1320 CB ASP A 83 6.760 10.872 -17.463 1.00 0.00 C ATOM 1321 CG ASP A 83 5.929 9.837 -18.254 1.00 0.00 C ATOM 1322 OD1 ASP A 83 5.092 9.128 -17.645 1.00 0.00 O ATOM 1323 OD2 ASP A 83 6.100 9.735 -19.485 1.00 0.00 O ATOM 0 H ASP A 83 6.020 9.502 -15.576 1.00 0.00 H new ATOM 0 HA ASP A 83 8.425 9.530 -17.013 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.085 11.520 -16.905 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.302 11.506 -18.165 1.00 0.00 H new ATOM 1328 N PRO A 84 9.847 11.646 -16.498 1.00 0.00 N ATOM 1329 CA PRO A 84 10.793 12.670 -15.978 1.00 0.00 C ATOM 1330 C PRO A 84 10.247 14.116 -16.091 1.00 0.00 C ATOM 1331 O PRO A 84 10.842 15.044 -15.531 1.00 0.00 O ATOM 1332 CB PRO A 84 12.048 12.452 -16.862 1.00 0.00 C ATOM 1333 CG PRO A 84 11.502 11.936 -18.158 1.00 0.00 C ATOM 1334 CD PRO A 84 10.344 11.045 -17.773 1.00 0.00 C ATOM 0 HA PRO A 84 10.985 12.558 -14.911 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.600 13.381 -17.005 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.736 11.739 -16.408 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.174 12.753 -18.800 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.259 11.381 -18.711 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.571 11.038 -18.541 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.662 10.012 -17.632 1.00 0.00 H new ATOM 1342 N LEU A 85 9.125 14.278 -16.839 1.00 0.00 N ATOM 1343 CA LEU A 85 8.412 15.572 -17.035 1.00 0.00 C ATOM 1344 C LEU A 85 9.326 16.644 -17.674 1.00 0.00 C ATOM 1345 O LEU A 85 9.128 17.847 -17.479 1.00 0.00 O ATOM 1346 CB LEU A 85 7.779 16.085 -15.698 1.00 0.00 C ATOM 1347 CG LEU A 85 6.831 15.068 -14.947 1.00 0.00 C ATOM 1348 CD1 LEU A 85 7.425 14.623 -13.593 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.407 15.637 -14.776 1.00 0.00 C ATOM 0 H LEU A 85 8.682 13.502 -17.331 1.00 0.00 H new ATOM 0 HA LEU A 85 7.598 15.385 -17.736 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.586 16.367 -15.021 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.211 16.991 -15.912 1.00 0.00 H new ATOM 0 HG LEU A 85 6.755 14.180 -15.575 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.743 13.924 -13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.386 14.136 -13.760 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.566 15.494 -12.954 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.784 14.909 -14.256 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.451 16.558 -14.195 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.979 15.846 -15.756 1.00 0.00 H new ATOM 1361 N LYS A 86 10.306 16.175 -18.457 1.00 0.00 N ATOM 1362 CA LYS A 86 11.285 17.016 -19.150 1.00 0.00 C ATOM 1363 C LYS A 86 10.734 17.471 -20.524 1.00 0.00 C ATOM 1364 O LYS A 86 10.447 16.598 -21.366 1.00 0.00 O ATOM 1365 CB LYS A 86 12.602 16.213 -19.314 1.00 0.00 C ATOM 1366 CG LYS A 86 13.305 15.828 -17.987 1.00 0.00 C ATOM 1367 CD LYS A 86 13.808 17.049 -17.176 1.00 0.00 C ATOM 1368 CE LYS A 86 14.806 17.915 -17.968 1.00 0.00 C ATOM 1369 NZ LYS A 86 15.395 18.991 -17.141 1.00 0.00 N ATOM 1370 OXT LYS A 86 10.572 18.692 -20.743 1.00 0.00 O ATOM 0 H LYS A 86 10.442 15.179 -18.629 1.00 0.00 H new ATOM 0 HA LYS A 86 11.482 17.914 -18.565 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.387 15.301 -19.871 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.295 16.800 -19.918 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.612 15.254 -17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.150 15.176 -18.209 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.956 17.661 -16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.283 16.701 -16.259 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.603 17.282 -18.358 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.300 18.356 -18.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.060 19.547 -17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.639 19.612 -16.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.902 18.572 -16.335 1.00 0.00 H new TER 1384 LYS A 86