USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=15 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 3 LYS NZ :NH3+ 157:sc= -2.32! (180deg=-3.69!) USER MOD Set 1.2: A 82 ASN : amide:sc= -0.046 K(o=-2.4,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.19 (180deg=0.556) USER MOD Single : A 2 SER OG : rot 180:sc= 0.279 USER MOD Single : A 4 THR OG1 : rot -23:sc= 0.155 USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0.902 (180deg=0.761) USER MOD Single : A 8 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.3!) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.7! C(o=-6.7!,f=-2.7!) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0.642 (180deg=0.529) 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 169:sc= -0.0426 (180deg=-0.22) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -169:sc= -0.209 (180deg=-0.412) USER MOD Single : A 28 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.12) USER MOD Single : A 34 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1.2) USER MOD Single : A 35 SER OG : rot 180:sc= -0.162 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00983) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.421 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0721) USER MOD Single : A 53 GLN : amide:sc= 0.411 K(o=0.41,f=-4.9!) 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 :FLIP amide:sc= -0.127 F(o=-1.5!,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 76 HIS : no HD1:sc= -0.457 K(o=-0.46,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.440 -1.341 -11.328 1.00 0.00 N ATOM 2 CA MET A 1 5.353 -0.347 -10.712 1.00 0.00 C ATOM 3 C MET A 1 4.681 0.242 -9.469 1.00 0.00 C ATOM 4 O MET A 1 3.570 0.778 -9.574 1.00 0.00 O ATOM 5 CB MET A 1 5.708 0.781 -11.720 1.00 0.00 C ATOM 6 CG MET A 1 6.464 0.320 -12.980 1.00 0.00 C ATOM 7 SD MET A 1 5.503 -0.817 -14.007 1.00 0.00 S ATOM 8 CE MET A 1 6.650 -1.140 -15.349 1.00 0.00 C ATOM 0 H1 MET A 1 4.669 -1.444 -12.337 1.00 0.00 H new ATOM 0 H2 MET A 1 4.553 -2.258 -10.851 1.00 0.00 H new ATOM 0 H3 MET A 1 3.457 -1.018 -11.228 1.00 0.00 H new ATOM 0 HA MET A 1 6.282 -0.842 -10.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.786 1.274 -12.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.312 1.529 -11.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.737 1.193 -13.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.393 -0.166 -12.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.193 -1.827 -16.061 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.893 -0.204 -15.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.561 -1.585 -14.950 1.00 0.00 H new ATOM 18 N SER A 2 5.333 0.113 -8.298 1.00 0.00 N ATOM 19 CA SER A 2 4.838 0.708 -7.041 1.00 0.00 C ATOM 20 C SER A 2 4.921 2.252 -7.134 1.00 0.00 C ATOM 21 O SER A 2 3.948 2.886 -7.585 1.00 0.00 O ATOM 22 CB SER A 2 5.626 0.116 -5.837 1.00 0.00 C ATOM 23 OG SER A 2 7.028 0.211 -6.031 1.00 0.00 O ATOM 0 H SER A 2 6.208 -0.401 -8.196 1.00 0.00 H new ATOM 0 HA SER A 2 3.789 0.458 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.348 0.644 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.348 -0.929 -5.698 1.00 0.00 H new ATOM 0 HG SER A 2 7.492 -0.168 -5.256 1.00 0.00 H new ATOM 29 N LYS A 3 6.093 2.823 -6.757 1.00 0.00 N ATOM 30 CA LYS A 3 6.439 4.251 -6.919 1.00 0.00 C ATOM 31 C LYS A 3 7.742 4.527 -6.153 1.00 0.00 C ATOM 32 O LYS A 3 7.852 4.167 -4.977 1.00 0.00 O ATOM 33 CB LYS A 3 5.317 5.211 -6.407 1.00 0.00 C ATOM 34 CG LYS A 3 5.385 6.661 -6.935 1.00 0.00 C ATOM 35 CD LYS A 3 4.094 7.484 -6.645 1.00 0.00 C ATOM 36 CE LYS A 3 2.874 7.083 -7.520 1.00 0.00 C ATOM 37 NZ LYS A 3 2.432 5.662 -7.357 1.00 0.00 N ATOM 0 H LYS A 3 6.841 2.285 -6.320 1.00 0.00 H new ATOM 0 HA LYS A 3 6.557 4.447 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.350 4.789 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.356 5.238 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.238 7.166 -6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.561 6.641 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.829 7.365 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.308 8.541 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.038 7.740 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.122 7.255 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.435 5.574 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.018 5.045 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.535 5.378 -6.362 1.00 0.00 H new ATOM 51 N THR A 4 8.716 5.149 -6.823 1.00 0.00 N ATOM 52 CA THR A 4 9.969 5.614 -6.187 1.00 0.00 C ATOM 53 C THR A 4 9.727 6.912 -5.378 1.00 0.00 C ATOM 54 O THR A 4 10.576 7.323 -4.582 1.00 0.00 O ATOM 55 CB THR A 4 11.090 5.814 -7.267 1.00 0.00 C ATOM 56 OG1 THR A 4 12.321 6.215 -6.656 1.00 0.00 O ATOM 57 CG2 THR A 4 10.690 6.842 -8.339 1.00 0.00 C ATOM 0 H THR A 4 8.666 5.348 -7.822 1.00 0.00 H new ATOM 0 HA THR A 4 10.308 4.849 -5.488 1.00 0.00 H new ATOM 0 HB THR A 4 11.224 4.850 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.135 6.630 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.498 6.945 -9.063 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.787 6.504 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.501 7.806 -7.866 1.00 0.00 H new ATOM 65 N ALA A 5 8.561 7.550 -5.637 1.00 0.00 N ATOM 66 CA ALA A 5 8.033 8.703 -4.869 1.00 0.00 C ATOM 67 C ALA A 5 8.894 9.979 -5.011 1.00 0.00 C ATOM 68 O ALA A 5 8.714 10.938 -4.256 1.00 0.00 O ATOM 69 CB ALA A 5 7.820 8.323 -3.391 1.00 0.00 C ATOM 0 H ALA A 5 7.948 7.271 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 5 7.065 8.951 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.432 9.184 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.107 7.501 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.770 8.015 -2.954 1.00 0.00 H new ATOM 75 N LYS A 6 9.794 9.987 -6.016 1.00 0.00 N ATOM 76 CA LYS A 6 10.668 11.133 -6.298 1.00 0.00 C ATOM 77 C LYS A 6 9.843 12.271 -6.915 1.00 0.00 C ATOM 78 O LYS A 6 9.234 12.105 -7.974 1.00 0.00 O ATOM 79 CB LYS A 6 11.839 10.711 -7.230 1.00 0.00 C ATOM 80 CG LYS A 6 12.779 9.600 -6.680 1.00 0.00 C ATOM 81 CD LYS A 6 13.791 10.075 -5.581 1.00 0.00 C ATOM 82 CE LYS A 6 13.198 10.211 -4.161 1.00 0.00 C ATOM 83 NZ LYS A 6 12.686 8.918 -3.644 1.00 0.00 N ATOM 0 H LYS A 6 9.931 9.200 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 6 11.105 11.491 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.420 10.369 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.440 11.594 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.167 8.798 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.341 9.176 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.622 9.371 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.203 11.039 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.962 10.594 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.389 10.941 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.454 9.015 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.831 8.647 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.413 8.184 -3.763 1.00 0.00 H new ATOM 97 N LEU A 7 9.809 13.399 -6.211 1.00 0.00 N ATOM 98 CA LEU A 7 9.028 14.578 -6.589 1.00 0.00 C ATOM 99 C LEU A 7 9.766 15.791 -6.003 1.00 0.00 C ATOM 100 O LEU A 7 9.539 16.184 -4.853 1.00 0.00 O ATOM 101 CB LEU A 7 7.554 14.416 -6.070 1.00 0.00 C ATOM 102 CG LEU A 7 6.453 15.368 -6.660 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.047 14.761 -6.453 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.502 16.796 -6.061 1.00 0.00 C ATOM 0 H LEU A 7 10.333 13.524 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 7 8.944 14.710 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.244 13.389 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.565 14.549 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 7 6.664 15.460 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.296 15.433 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.989 13.797 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.863 14.624 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.717 17.405 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.350 16.744 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.473 17.245 -6.269 1.00 0.00 H new ATOM 116 N ASN A 8 10.737 16.300 -6.776 1.00 0.00 N ATOM 117 CA ASN A 8 11.632 17.382 -6.345 1.00 0.00 C ATOM 118 C ASN A 8 11.089 18.733 -6.827 1.00 0.00 C ATOM 119 O ASN A 8 10.646 19.556 -6.014 1.00 0.00 O ATOM 120 CB ASN A 8 13.083 17.135 -6.866 1.00 0.00 C ATOM 121 CG ASN A 8 13.712 15.836 -6.331 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.046 14.805 -6.191 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.993 15.878 -5.994 1.00 0.00 N ATOM 0 H ASN A 8 10.924 15.970 -7.723 1.00 0.00 H new ATOM 0 HA ASN A 8 11.671 17.398 -5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.069 17.101 -7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.712 17.979 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.447 15.049 -5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.525 16.739 -6.118 1.00 0.00 H new ATOM 130 N ASN A 9 11.097 18.958 -8.151 1.00 0.00 N ATOM 131 CA ASN A 9 10.580 20.203 -8.740 1.00 0.00 C ATOM 132 C ASN A 9 9.090 20.031 -9.070 1.00 0.00 C ATOM 133 O ASN A 9 8.728 19.646 -10.190 1.00 0.00 O ATOM 134 CB ASN A 9 11.388 20.612 -9.998 1.00 0.00 C ATOM 135 CG ASN A 9 11.078 22.044 -10.445 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.140 22.210 -11.355 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 11.678 23.001 -9.962 1.00 0.00 N flip ATOM 0 H ASN A 9 11.457 18.292 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 9 10.693 21.008 -8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.454 20.521 -9.788 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.163 19.923 -10.812 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.401 22.848 -9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.454 23.949 -10.264 1.00 0.00 H new ATOM 144 N GLU A 10 8.246 20.297 -8.059 1.00 0.00 N ATOM 145 CA GLU A 10 6.781 20.150 -8.133 1.00 0.00 C ATOM 146 C GLU A 10 6.170 20.962 -9.288 1.00 0.00 C ATOM 147 O GLU A 10 5.203 20.521 -9.911 1.00 0.00 O ATOM 148 CB GLU A 10 6.158 20.580 -6.785 1.00 0.00 C ATOM 149 CG GLU A 10 4.627 20.473 -6.728 1.00 0.00 C ATOM 150 CD GLU A 10 4.053 20.753 -5.339 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.990 19.813 -4.516 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.696 21.915 -5.050 1.00 0.00 O ATOM 0 H GLU A 10 8.568 20.627 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 10 6.557 19.102 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.582 19.966 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.445 21.611 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.194 21.175 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.328 19.473 -7.043 1.00 0.00 H new ATOM 159 N GLU A 11 6.779 22.124 -9.557 1.00 0.00 N ATOM 160 CA GLU A 11 6.358 23.088 -10.595 1.00 0.00 C ATOM 161 C GLU A 11 6.007 22.409 -11.946 1.00 0.00 C ATOM 162 O GLU A 11 4.959 22.696 -12.532 1.00 0.00 O ATOM 163 CB GLU A 11 7.511 24.101 -10.797 1.00 0.00 C ATOM 164 CG GLU A 11 7.291 25.162 -11.896 1.00 0.00 C ATOM 165 CD GLU A 11 8.580 25.915 -12.256 1.00 0.00 C ATOM 166 OE1 GLU A 11 9.465 25.302 -12.894 1.00 0.00 O ATOM 167 OE2 GLU A 11 8.724 27.106 -11.908 1.00 0.00 O ATOM 0 H GLU A 11 7.605 22.434 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 11 5.447 23.582 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.686 24.615 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.419 23.546 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.896 24.678 -12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.539 25.876 -11.561 1.00 0.00 H new ATOM 174 N LYS A 12 6.880 21.489 -12.402 1.00 0.00 N ATOM 175 CA LYS A 12 6.728 20.808 -13.712 1.00 0.00 C ATOM 176 C LYS A 12 5.536 19.834 -13.693 1.00 0.00 C ATOM 177 O LYS A 12 4.821 19.691 -14.693 1.00 0.00 O ATOM 178 CB LYS A 12 8.043 20.069 -14.093 1.00 0.00 C ATOM 179 CG LYS A 12 9.264 21.007 -14.188 1.00 0.00 C ATOM 180 CD LYS A 12 10.597 20.292 -14.514 1.00 0.00 C ATOM 181 CE LYS A 12 10.690 19.816 -15.973 1.00 0.00 C ATOM 182 NZ LYS A 12 11.987 19.147 -16.259 1.00 0.00 N ATOM 0 H LYS A 12 7.706 21.196 -11.880 1.00 0.00 H new ATOM 0 HA LYS A 12 6.526 21.565 -14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.245 19.295 -13.352 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.905 19.566 -15.050 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.071 21.757 -14.955 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.373 21.538 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.425 20.970 -14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.713 19.435 -13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.872 19.126 -16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.567 20.668 -16.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.111 19.055 -17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.765 19.715 -15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.994 18.203 -15.824 1.00 0.00 H new ATOM 196 N LEU A 13 5.324 19.185 -12.534 1.00 0.00 N ATOM 197 CA LEU A 13 4.182 18.268 -12.325 1.00 0.00 C ATOM 198 C LEU A 13 2.845 19.038 -12.294 1.00 0.00 C ATOM 199 O LEU A 13 1.824 18.539 -12.784 1.00 0.00 O ATOM 200 CB LEU A 13 4.343 17.428 -11.032 1.00 0.00 C ATOM 201 CG LEU A 13 5.542 16.422 -11.016 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.854 17.072 -10.544 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.212 15.159 -10.200 1.00 0.00 C ATOM 0 H LEU A 13 5.932 19.278 -11.720 1.00 0.00 H new ATOM 0 HA LEU A 13 4.171 17.582 -13.172 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.455 18.111 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.422 16.868 -10.868 1.00 0.00 H new ATOM 0 HG LEU A 13 5.702 16.116 -12.050 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.652 16.329 -10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.115 17.892 -11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.726 17.456 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.068 14.484 -10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.985 15.439 -9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.349 14.658 -10.638 1.00 0.00 H new ATOM 215 N VAL A 14 2.871 20.245 -11.702 1.00 0.00 N ATOM 216 CA VAL A 14 1.702 21.144 -11.643 1.00 0.00 C ATOM 217 C VAL A 14 1.296 21.559 -13.066 1.00 0.00 C ATOM 218 O VAL A 14 0.120 21.457 -13.427 1.00 0.00 O ATOM 219 CB VAL A 14 1.994 22.418 -10.765 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.792 23.401 -10.746 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.397 22.003 -9.332 1.00 0.00 C ATOM 0 H VAL A 14 3.703 20.626 -11.251 1.00 0.00 H new ATOM 0 HA VAL A 14 0.881 20.603 -11.173 1.00 0.00 H new ATOM 0 HB VAL A 14 2.829 22.949 -11.221 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.038 24.265 -10.128 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.576 23.731 -11.762 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.083 22.898 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.596 22.895 -8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.586 21.436 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.294 21.385 -9.371 1.00 0.00 H new ATOM 231 N LYS A 15 2.300 21.983 -13.867 1.00 0.00 N ATOM 232 CA LYS A 15 2.113 22.346 -15.293 1.00 0.00 C ATOM 233 C LYS A 15 1.480 21.184 -16.070 1.00 0.00 C ATOM 234 O LYS A 15 0.524 21.371 -16.824 1.00 0.00 O ATOM 235 CB LYS A 15 3.464 22.697 -15.971 1.00 0.00 C ATOM 236 CG LYS A 15 4.190 23.933 -15.415 1.00 0.00 C ATOM 237 CD LYS A 15 5.497 24.210 -16.186 1.00 0.00 C ATOM 238 CE LYS A 15 6.236 25.460 -15.699 1.00 0.00 C ATOM 239 NZ LYS A 15 7.422 25.740 -16.542 1.00 0.00 N ATOM 0 H LYS A 15 3.262 22.084 -13.545 1.00 0.00 H new ATOM 0 HA LYS A 15 1.457 23.217 -15.313 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.128 21.838 -15.881 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.286 22.852 -17.035 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.535 24.802 -15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.413 23.782 -14.359 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.156 23.347 -16.091 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.268 24.322 -17.246 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.561 26.316 -15.719 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.546 25.323 -14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.904 26.592 -16.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.075 24.931 -16.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.120 25.894 -17.525 1.00 0.00 H new ATOM 253 N LYS A 16 2.035 19.979 -15.846 1.00 0.00 N ATOM 254 CA LYS A 16 1.593 18.749 -16.517 1.00 0.00 C ATOM 255 C LYS A 16 0.138 18.419 -16.140 1.00 0.00 C ATOM 256 O LYS A 16 -0.632 17.968 -16.975 1.00 0.00 O ATOM 257 CB LYS A 16 2.534 17.570 -16.156 1.00 0.00 C ATOM 258 CG LYS A 16 2.304 16.263 -16.957 1.00 0.00 C ATOM 259 CD LYS A 16 2.388 16.478 -18.484 1.00 0.00 C ATOM 260 CE LYS A 16 2.226 15.179 -19.287 1.00 0.00 C ATOM 261 NZ LYS A 16 2.154 15.451 -20.745 1.00 0.00 N ATOM 0 H LYS A 16 2.804 19.834 -15.192 1.00 0.00 H new ATOM 0 HA LYS A 16 1.637 18.907 -17.595 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.565 17.891 -16.307 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.421 17.350 -15.095 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.045 15.522 -16.657 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.325 15.854 -16.705 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.616 17.184 -18.788 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.349 16.931 -18.728 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.065 14.514 -19.080 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.322 14.661 -18.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.045 14.554 -21.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.339 16.066 -20.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.028 15.923 -21.054 1.00 0.00 H new ATOM 275 N ALA A 17 -0.227 18.689 -14.881 1.00 0.00 N ATOM 276 CA ALA A 17 -1.594 18.475 -14.373 1.00 0.00 C ATOM 277 C ALA A 17 -2.573 19.531 -14.928 1.00 0.00 C ATOM 278 O ALA A 17 -3.769 19.265 -15.035 1.00 0.00 O ATOM 279 CB ALA A 17 -1.599 18.477 -12.843 1.00 0.00 C ATOM 0 H ALA A 17 0.415 19.063 -14.182 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.934 17.499 -14.720 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.615 18.318 -12.482 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.954 17.678 -12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.231 19.436 -12.479 1.00 0.00 H new ATOM 285 N LEU A 18 -2.052 20.731 -15.271 1.00 0.00 N ATOM 286 CA LEU A 18 -2.848 21.781 -15.953 1.00 0.00 C ATOM 287 C LEU A 18 -3.165 21.343 -17.391 1.00 0.00 C ATOM 288 O LEU A 18 -4.269 21.577 -17.890 1.00 0.00 O ATOM 289 CB LEU A 18 -2.111 23.157 -15.975 1.00 0.00 C ATOM 290 CG LEU A 18 -1.705 23.747 -14.588 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.059 25.144 -14.722 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.895 23.763 -13.609 1.00 0.00 C ATOM 0 H LEU A 18 -1.085 20.998 -15.087 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.772 21.909 -15.388 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.210 23.053 -16.579 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.752 23.880 -16.480 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.947 23.085 -14.169 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.792 25.518 -13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.162 25.073 -15.338 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.767 25.829 -15.190 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.575 24.180 -12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.697 24.375 -14.022 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.256 22.746 -13.458 1.00 0.00 H new ATOM 304 N GLU A 19 -2.169 20.703 -18.037 1.00 0.00 N ATOM 305 CA GLU A 19 -2.290 20.200 -19.419 1.00 0.00 C ATOM 306 C GLU A 19 -3.274 19.020 -19.496 1.00 0.00 C ATOM 307 O GLU A 19 -4.228 19.046 -20.277 1.00 0.00 O ATOM 308 CB GLU A 19 -0.897 19.774 -19.966 1.00 0.00 C ATOM 309 CG GLU A 19 0.173 20.888 -19.967 1.00 0.00 C ATOM 310 CD GLU A 19 -0.236 22.135 -20.776 1.00 0.00 C ATOM 311 OE1 GLU A 19 -0.109 22.119 -22.021 1.00 0.00 O ATOM 312 OE2 GLU A 19 -0.692 23.135 -20.175 1.00 0.00 O ATOM 0 H GLU A 19 -1.259 20.521 -17.615 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.680 21.009 -20.037 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.529 18.939 -19.370 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.020 19.408 -20.985 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.379 21.184 -18.938 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.101 20.488 -20.375 1.00 0.00 H new ATOM 319 N ILE A 20 -3.032 17.998 -18.656 1.00 0.00 N ATOM 320 CA ILE A 20 -3.826 16.760 -18.649 1.00 0.00 C ATOM 321 C ILE A 20 -5.225 17.051 -18.088 1.00 0.00 C ATOM 322 O ILE A 20 -6.207 16.772 -18.748 1.00 0.00 O ATOM 323 CB ILE A 20 -3.128 15.601 -17.834 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.667 15.352 -18.341 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.957 14.290 -17.891 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.535 15.039 -19.822 1.00 0.00 C ATOM 0 H ILE A 20 -2.282 18.008 -17.965 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.909 16.411 -19.678 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.077 15.921 -16.793 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.068 16.235 -18.119 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.239 14.526 -17.773 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.449 13.513 -17.320 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.945 14.465 -17.465 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.060 13.970 -18.928 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.485 14.884 -20.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.100 14.136 -20.055 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.926 15.872 -20.406 1.00 0.00 H new ATOM 338 N GLY A 21 -5.286 17.663 -16.895 1.00 0.00 N ATOM 339 CA GLY A 21 -6.559 18.011 -16.245 1.00 0.00 C ATOM 340 C GLY A 21 -7.392 19.003 -17.057 1.00 0.00 C ATOM 341 O GLY A 21 -8.628 18.927 -17.066 1.00 0.00 O ATOM 0 H GLY A 21 -4.461 17.929 -16.357 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.140 17.102 -16.085 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.355 18.435 -15.262 1.00 0.00 H new ATOM 345 N GLY A 22 -6.701 19.937 -17.744 1.00 0.00 N ATOM 346 CA GLY A 22 -7.352 20.921 -18.616 1.00 0.00 C ATOM 347 C GLY A 22 -8.033 20.280 -19.828 1.00 0.00 C ATOM 348 O GLY A 22 -9.233 20.505 -20.063 1.00 0.00 O ATOM 0 H GLY A 22 -5.685 20.025 -17.707 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.092 21.476 -18.040 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.610 21.642 -18.961 1.00 0.00 H new ATOM 352 N LYS A 23 -7.266 19.459 -20.585 1.00 0.00 N ATOM 353 CA LYS A 23 -7.781 18.780 -21.798 1.00 0.00 C ATOM 354 C LYS A 23 -8.837 17.722 -21.417 1.00 0.00 C ATOM 355 O LYS A 23 -9.801 17.534 -22.148 1.00 0.00 O ATOM 356 CB LYS A 23 -6.645 18.109 -22.628 1.00 0.00 C ATOM 357 CG LYS A 23 -5.970 16.908 -21.928 1.00 0.00 C ATOM 358 CD LYS A 23 -5.111 16.046 -22.864 1.00 0.00 C ATOM 359 CE LYS A 23 -4.550 14.805 -22.150 1.00 0.00 C ATOM 360 NZ LYS A 23 -3.766 13.945 -23.063 1.00 0.00 N ATOM 0 H LYS A 23 -6.289 19.251 -20.377 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.239 19.549 -22.420 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.056 17.775 -23.581 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.885 18.857 -22.853 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.345 17.278 -21.115 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.741 16.282 -21.478 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.709 15.733 -23.719 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.287 16.644 -23.253 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.920 15.120 -21.318 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.372 14.228 -21.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.407 13.121 -22.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.373 13.623 -23.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.966 14.486 -23.448 1.00 0.00 H new ATOM 374 N MET A 24 -8.627 17.041 -20.263 1.00 0.00 N ATOM 375 CA MET A 24 -9.554 16.011 -19.749 1.00 0.00 C ATOM 376 C MET A 24 -10.919 16.639 -19.512 1.00 0.00 C ATOM 377 O MET A 24 -11.901 16.174 -20.067 1.00 0.00 O ATOM 378 CB MET A 24 -9.031 15.342 -18.440 1.00 0.00 C ATOM 379 CG MET A 24 -8.003 14.216 -18.646 1.00 0.00 C ATOM 380 SD MET A 24 -7.260 13.639 -17.094 1.00 0.00 S ATOM 381 CE MET A 24 -8.688 13.168 -16.118 1.00 0.00 C ATOM 0 H MET A 24 -7.813 17.192 -19.667 1.00 0.00 H new ATOM 0 HA MET A 24 -9.629 15.223 -20.498 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.582 16.112 -17.812 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.882 14.939 -17.891 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.487 13.376 -19.144 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.214 14.569 -19.310 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.360 12.622 -15.233 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.231 14.062 -15.812 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.343 12.533 -16.714 1.00 0.00 H new ATOM 391 N ALA A 25 -10.939 17.739 -18.727 1.00 0.00 N ATOM 392 CA ALA A 25 -12.162 18.506 -18.431 1.00 0.00 C ATOM 393 C ALA A 25 -12.882 18.898 -19.718 1.00 0.00 C ATOM 394 O ALA A 25 -14.075 18.622 -19.879 1.00 0.00 O ATOM 395 CB ALA A 25 -11.825 19.751 -17.598 1.00 0.00 C ATOM 0 H ALA A 25 -10.103 18.118 -18.281 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.831 17.872 -17.850 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.739 20.307 -17.388 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.362 19.446 -16.660 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.135 20.385 -18.154 1.00 0.00 H new ATOM 401 N LYS A 26 -12.105 19.471 -20.652 1.00 0.00 N ATOM 402 CA LYS A 26 -12.609 19.931 -21.949 1.00 0.00 C ATOM 403 C LYS A 26 -13.398 18.812 -22.663 1.00 0.00 C ATOM 404 O LYS A 26 -14.598 18.971 -22.933 1.00 0.00 O ATOM 405 CB LYS A 26 -11.445 20.440 -22.837 1.00 0.00 C ATOM 406 CG LYS A 26 -11.887 21.121 -24.159 1.00 0.00 C ATOM 407 CD LYS A 26 -10.703 21.476 -25.087 1.00 0.00 C ATOM 408 CE LYS A 26 -9.973 20.233 -25.633 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.929 20.605 -26.616 1.00 0.00 N ATOM 0 H LYS A 26 -11.105 19.627 -20.524 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.292 20.762 -21.773 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.850 21.148 -22.261 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.795 19.599 -23.077 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.571 20.459 -24.690 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.441 22.030 -23.924 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.070 22.072 -25.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.993 22.097 -24.540 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.518 19.685 -24.808 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.694 19.563 -26.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.457 19.746 -26.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.367 21.107 -27.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.228 21.224 -26.161 1.00 0.00 H new ATOM 423 N MET A 27 -12.722 17.663 -22.856 1.00 0.00 N ATOM 424 CA MET A 27 -13.279 16.483 -23.552 1.00 0.00 C ATOM 425 C MET A 27 -14.458 15.847 -22.774 1.00 0.00 C ATOM 426 O MET A 27 -15.393 15.322 -23.386 1.00 0.00 O ATOM 427 CB MET A 27 -12.162 15.432 -23.768 1.00 0.00 C ATOM 428 CG MET A 27 -10.989 15.908 -24.649 1.00 0.00 C ATOM 429 SD MET A 27 -9.717 14.643 -24.893 1.00 0.00 S ATOM 430 CE MET A 27 -9.195 14.289 -23.210 1.00 0.00 C ATOM 0 H MET A 27 -11.765 17.525 -22.531 1.00 0.00 H new ATOM 0 HA MET A 27 -13.667 16.819 -24.513 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.770 15.134 -22.796 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.601 14.543 -24.221 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.375 16.217 -25.620 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.534 16.787 -24.193 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.292 13.680 -23.230 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.991 15.224 -22.688 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.986 13.749 -22.690 1.00 0.00 H new ATOM 440 N GLN A 28 -14.406 15.904 -21.426 1.00 0.00 N ATOM 441 CA GLN A 28 -15.488 15.385 -20.550 1.00 0.00 C ATOM 442 C GLN A 28 -16.764 16.237 -20.711 1.00 0.00 C ATOM 443 O GLN A 28 -17.871 15.768 -20.429 1.00 0.00 O ATOM 444 CB GLN A 28 -15.050 15.349 -19.051 1.00 0.00 C ATOM 445 CG GLN A 28 -13.939 14.337 -18.696 1.00 0.00 C ATOM 446 CD GLN A 28 -14.241 12.901 -19.123 1.00 0.00 C ATOM 447 OE1 GLN A 28 -14.851 12.130 -18.381 1.00 0.00 O ATOM 448 NE2 GLN A 28 -13.805 12.525 -20.321 1.00 0.00 N ATOM 0 H GLN A 28 -13.621 16.307 -20.914 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.699 14.361 -20.859 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.711 16.345 -18.768 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.926 15.126 -18.442 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.009 14.656 -19.166 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.775 14.357 -17.619 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.303 13.188 -20.912 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.973 11.574 -20.649 1.00 0.00 H new ATOM 457 N GLY A 29 -16.585 17.495 -21.145 1.00 0.00 N ATOM 458 CA GLY A 29 -17.699 18.376 -21.510 1.00 0.00 C ATOM 459 C GLY A 29 -17.616 19.712 -20.805 1.00 0.00 C ATOM 460 O GLY A 29 -18.640 20.307 -20.456 1.00 0.00 O ATOM 0 H GLY A 29 -15.667 17.926 -21.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.699 18.534 -22.588 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.642 17.891 -21.259 1.00 0.00 H new ATOM 464 N PHE A 30 -16.383 20.208 -20.622 1.00 0.00 N ATOM 465 CA PHE A 30 -16.106 21.443 -19.856 1.00 0.00 C ATOM 466 C PHE A 30 -15.118 22.308 -20.652 1.00 0.00 C ATOM 467 O PHE A 30 -14.896 22.060 -21.843 1.00 0.00 O ATOM 468 CB PHE A 30 -15.518 21.103 -18.445 1.00 0.00 C ATOM 469 CG PHE A 30 -16.395 20.200 -17.568 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.437 20.731 -16.806 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.182 18.819 -17.514 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.231 19.912 -16.019 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.977 18.003 -16.731 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.000 18.549 -15.985 1.00 0.00 C ATOM 0 H PHE A 30 -15.545 19.766 -21.000 1.00 0.00 H new ATOM 0 HA PHE A 30 -17.037 21.990 -19.705 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.550 20.621 -18.580 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.338 22.036 -17.911 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.627 21.794 -16.830 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.382 18.382 -18.094 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.031 20.339 -15.432 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.797 16.938 -16.704 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.621 17.912 -15.374 1.00 0.00 H new ATOM 484 N ASP A 31 -14.581 23.349 -19.999 1.00 0.00 N ATOM 485 CA ASP A 31 -13.423 24.116 -20.486 1.00 0.00 C ATOM 486 C ASP A 31 -12.869 24.967 -19.324 1.00 0.00 C ATOM 487 O ASP A 31 -13.470 25.971 -18.920 1.00 0.00 O ATOM 488 CB ASP A 31 -13.756 24.988 -21.747 1.00 0.00 C ATOM 489 CG ASP A 31 -14.891 26.017 -21.542 1.00 0.00 C ATOM 490 OD1 ASP A 31 -16.073 25.614 -21.443 1.00 0.00 O ATOM 491 OD2 ASP A 31 -14.610 27.233 -21.480 1.00 0.00 O ATOM 0 H ASP A 31 -14.942 23.687 -19.107 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.658 23.415 -20.821 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.854 25.519 -22.053 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.030 24.325 -22.568 1.00 0.00 H new ATOM 496 N LEU A 32 -11.751 24.504 -18.735 1.00 0.00 N ATOM 497 CA LEU A 32 -11.057 25.232 -17.662 1.00 0.00 C ATOM 498 C LEU A 32 -10.332 26.450 -18.270 1.00 0.00 C ATOM 499 O LEU A 32 -9.491 26.268 -19.164 1.00 0.00 O ATOM 500 CB LEU A 32 -10.066 24.296 -16.922 1.00 0.00 C ATOM 501 CG LEU A 32 -10.713 23.044 -16.234 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.638 22.109 -15.649 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.749 23.459 -15.153 1.00 0.00 C ATOM 0 H LEU A 32 -11.308 23.621 -18.989 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.781 25.583 -16.927 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.316 23.952 -17.634 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.541 24.877 -16.163 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.250 22.490 -17.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.119 21.251 -15.179 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.981 21.765 -16.448 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.052 22.649 -14.905 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.177 22.566 -14.697 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.256 24.057 -14.386 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.542 24.046 -15.616 1.00 0.00 H new ATOM 515 N PRO A 33 -10.646 27.707 -17.802 1.00 0.00 N ATOM 516 CA PRO A 33 -10.160 28.948 -18.454 1.00 0.00 C ATOM 517 C PRO A 33 -8.626 29.072 -18.414 1.00 0.00 C ATOM 518 O PRO A 33 -7.978 28.652 -17.441 1.00 0.00 O ATOM 519 CB PRO A 33 -10.843 30.081 -17.638 1.00 0.00 C ATOM 520 CG PRO A 33 -11.134 29.468 -16.301 1.00 0.00 C ATOM 521 CD PRO A 33 -11.465 28.017 -16.591 1.00 0.00 C ATOM 0 HA PRO A 33 -10.406 28.977 -19.516 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.190 30.948 -17.542 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.757 30.423 -18.124 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.275 29.550 -15.635 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.967 29.971 -15.810 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.203 27.371 -15.753 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.529 27.878 -16.780 1.00 0.00 H new ATOM 529 N GLN A 34 -8.056 29.655 -19.482 1.00 0.00 N ATOM 530 CA GLN A 34 -6.605 29.887 -19.608 1.00 0.00 C ATOM 531 C GLN A 34 -6.270 31.267 -18.986 1.00 0.00 C ATOM 532 O GLN A 34 -5.679 32.145 -19.607 1.00 0.00 O ATOM 533 CB GLN A 34 -6.177 29.742 -21.114 1.00 0.00 C ATOM 534 CG GLN A 34 -4.655 29.505 -21.375 1.00 0.00 C ATOM 535 CD GLN A 34 -3.817 30.778 -21.546 1.00 0.00 C ATOM 536 OE1 GLN A 34 -4.307 31.794 -22.038 1.00 0.00 O ATOM 537 NE2 GLN A 34 -2.560 30.741 -21.134 1.00 0.00 N ATOM 0 H GLN A 34 -8.591 29.981 -20.287 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.029 29.142 -19.060 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.733 28.913 -21.551 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.480 30.644 -21.645 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.246 28.928 -20.546 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.547 28.895 -22.272 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.181 29.885 -20.730 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.970 31.569 -21.220 1.00 0.00 H new ATOM 546 N SER A 35 -6.697 31.429 -17.725 1.00 0.00 N ATOM 547 CA SER A 35 -6.437 32.618 -16.900 1.00 0.00 C ATOM 548 C SER A 35 -4.956 32.582 -16.379 1.00 0.00 C ATOM 549 O SER A 35 -4.296 31.578 -16.631 1.00 0.00 O ATOM 550 CB SER A 35 -7.489 32.606 -15.770 1.00 0.00 C ATOM 551 OG SER A 35 -8.806 32.523 -16.298 1.00 0.00 O ATOM 0 H SER A 35 -7.246 30.720 -17.239 1.00 0.00 H new ATOM 0 HA SER A 35 -6.531 33.550 -17.458 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.306 31.760 -15.107 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.391 33.510 -15.168 1.00 0.00 H new ATOM 0 HG SER A 35 -9.453 32.515 -15.562 1.00 0.00 H new ATOM 557 N PRO A 36 -4.401 33.664 -15.695 1.00 0.00 N ATOM 558 CA PRO A 36 -2.972 33.750 -15.237 1.00 0.00 C ATOM 559 C PRO A 36 -2.234 32.399 -14.927 1.00 0.00 C ATOM 560 O PRO A 36 -1.709 31.768 -15.857 1.00 0.00 O ATOM 561 CB PRO A 36 -3.059 34.669 -13.997 1.00 0.00 C ATOM 562 CG PRO A 36 -4.308 35.508 -14.181 1.00 0.00 C ATOM 563 CD PRO A 36 -5.078 34.951 -15.379 1.00 0.00 C ATOM 0 HA PRO A 36 -2.346 34.126 -16.046 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.116 34.082 -13.080 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.174 35.300 -13.917 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.925 35.476 -13.283 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.045 36.552 -14.349 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.130 34.797 -15.137 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.043 35.636 -16.226 1.00 0.00 H new ATOM 571 N GLN A 37 -2.193 31.951 -13.645 1.00 0.00 N ATOM 572 CA GLN A 37 -1.494 30.697 -13.241 1.00 0.00 C ATOM 573 C GLN A 37 -2.250 30.020 -12.048 1.00 0.00 C ATOM 574 O GLN A 37 -2.844 28.959 -12.256 1.00 0.00 O ATOM 575 CB GLN A 37 0.024 30.934 -12.892 1.00 0.00 C ATOM 576 CG GLN A 37 0.909 31.461 -14.050 1.00 0.00 C ATOM 577 CD GLN A 37 2.357 31.753 -13.637 1.00 0.00 C ATOM 578 OE1 GLN A 37 2.912 31.109 -12.750 1.00 0.00 O ATOM 579 NE2 GLN A 37 2.983 32.722 -14.291 1.00 0.00 N ATOM 0 H GLN A 37 -2.637 32.441 -12.868 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.509 30.024 -14.098 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.081 31.642 -12.065 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.446 29.994 -12.536 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.912 30.727 -14.856 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.464 32.372 -14.450 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.497 33.240 -15.023 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.951 32.949 -14.062 1.00 0.00 H new ATOM 588 N PRO A 38 -2.319 30.636 -10.789 1.00 0.00 N ATOM 589 CA PRO A 38 -2.838 29.927 -9.569 1.00 0.00 C ATOM 590 C PRO A 38 -4.346 29.612 -9.662 1.00 0.00 C ATOM 591 O PRO A 38 -4.839 28.655 -9.054 1.00 0.00 O ATOM 592 CB PRO A 38 -2.544 30.920 -8.418 1.00 0.00 C ATOM 593 CG PRO A 38 -2.570 32.265 -9.081 1.00 0.00 C ATOM 594 CD PRO A 38 -1.962 32.055 -10.451 1.00 0.00 C ATOM 0 HA PRO A 38 -2.365 28.955 -9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.293 30.850 -7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.576 30.721 -7.957 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.589 32.644 -9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.000 32.996 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.370 32.755 -11.181 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.882 32.203 -10.436 1.00 0.00 H new ATOM 602 N VAL A 39 -5.054 30.443 -10.428 1.00 0.00 N ATOM 603 CA VAL A 39 -6.491 30.305 -10.687 1.00 0.00 C ATOM 604 C VAL A 39 -6.796 29.054 -11.539 1.00 0.00 C ATOM 605 O VAL A 39 -7.818 28.392 -11.322 1.00 0.00 O ATOM 606 CB VAL A 39 -7.051 31.600 -11.381 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.070 32.791 -10.391 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.215 31.956 -12.634 1.00 0.00 C ATOM 0 H VAL A 39 -4.638 31.248 -10.896 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.992 30.179 -9.727 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.075 31.397 -11.695 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.461 33.676 -10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.705 32.546 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.057 32.990 -10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.620 32.855 -13.098 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.180 32.133 -12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.256 31.131 -13.345 1.00 0.00 H new ATOM 618 N ARG A 40 -5.895 28.732 -12.497 1.00 0.00 N ATOM 619 CA ARG A 40 -6.020 27.510 -13.326 1.00 0.00 C ATOM 620 C ARG A 40 -5.702 26.278 -12.480 1.00 0.00 C ATOM 621 O ARG A 40 -6.345 25.249 -12.618 1.00 0.00 O ATOM 622 CB ARG A 40 -5.074 27.512 -14.551 1.00 0.00 C ATOM 623 CG ARG A 40 -5.227 28.708 -15.503 1.00 0.00 C ATOM 624 CD ARG A 40 -4.534 28.454 -16.856 1.00 0.00 C ATOM 625 NE ARG A 40 -5.231 27.403 -17.630 1.00 0.00 N ATOM 626 CZ ARG A 40 -4.658 26.359 -18.249 1.00 0.00 C ATOM 627 NH1 ARG A 40 -3.353 26.150 -18.174 1.00 0.00 N ATOM 628 NH2 ARG A 40 -5.414 25.525 -18.943 1.00 0.00 N ATOM 0 H ARG A 40 -5.076 29.300 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.047 27.488 -13.691 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.045 27.484 -14.193 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.240 26.596 -15.117 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.286 28.908 -15.669 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.803 29.599 -15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.510 29.378 -17.434 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.499 28.157 -16.686 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.246 27.479 -17.700 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.764 26.788 -17.639 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.936 25.351 -18.651 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.421 25.679 -19.003 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.991 24.728 -19.418 1.00 0.00 H new ATOM 642 N VAL A 41 -4.678 26.422 -11.621 1.00 0.00 N ATOM 643 CA VAL A 41 -4.226 25.375 -10.686 1.00 0.00 C ATOM 644 C VAL A 41 -5.402 24.896 -9.801 1.00 0.00 C ATOM 645 O VAL A 41 -5.672 23.689 -9.684 1.00 0.00 O ATOM 646 CB VAL A 41 -3.016 25.920 -9.823 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.579 24.935 -8.725 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.815 26.283 -10.737 1.00 0.00 C ATOM 0 H VAL A 41 -4.133 27.281 -11.555 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.875 24.509 -11.247 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.368 26.820 -9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.746 25.361 -8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.414 24.750 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.267 23.996 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.993 26.656 -10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.490 25.396 -11.280 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.118 27.053 -11.447 1.00 0.00 H new ATOM 658 N LYS A 42 -6.136 25.871 -9.254 1.00 0.00 N ATOM 659 CA LYS A 42 -7.283 25.621 -8.366 1.00 0.00 C ATOM 660 C LYS A 42 -8.498 25.103 -9.185 1.00 0.00 C ATOM 661 O LYS A 42 -9.245 24.237 -8.708 1.00 0.00 O ATOM 662 CB LYS A 42 -7.608 26.924 -7.561 1.00 0.00 C ATOM 663 CG LYS A 42 -8.401 26.729 -6.236 1.00 0.00 C ATOM 664 CD LYS A 42 -9.912 26.433 -6.426 1.00 0.00 C ATOM 665 CE LYS A 42 -10.663 27.558 -7.174 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.633 28.838 -6.425 1.00 0.00 N ATOM 0 H LYS A 42 -5.952 26.862 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.038 24.840 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.669 27.427 -7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.177 27.593 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.951 25.909 -5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.294 27.627 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.026 25.500 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.372 26.285 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.214 27.702 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.698 27.257 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.190 29.552 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.038 28.695 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.650 29.165 -6.336 1.00 0.00 H new ATOM 680 N ALA A 43 -8.686 25.638 -10.413 1.00 0.00 N ATOM 681 CA ALA A 43 -9.761 25.180 -11.337 1.00 0.00 C ATOM 682 C ALA A 43 -9.625 23.673 -11.681 1.00 0.00 C ATOM 683 O ALA A 43 -10.608 22.911 -11.613 1.00 0.00 O ATOM 684 CB ALA A 43 -9.751 26.025 -12.625 1.00 0.00 C ATOM 0 H ALA A 43 -8.109 26.389 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.714 25.315 -10.826 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.541 25.681 -13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.919 27.072 -12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.786 25.921 -13.121 1.00 0.00 H new ATOM 690 N VAL A 44 -8.388 23.271 -12.036 1.00 0.00 N ATOM 691 CA VAL A 44 -8.031 21.871 -12.351 1.00 0.00 C ATOM 692 C VAL A 44 -8.284 20.978 -11.133 1.00 0.00 C ATOM 693 O VAL A 44 -8.877 19.913 -11.264 1.00 0.00 O ATOM 694 CB VAL A 44 -6.531 21.737 -12.838 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.104 20.254 -13.007 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.313 22.513 -14.162 1.00 0.00 C ATOM 0 H VAL A 44 -7.600 23.915 -12.113 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.666 21.543 -13.174 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.902 22.175 -12.063 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.068 20.210 -13.342 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.199 19.737 -12.052 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.745 19.773 -13.745 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.275 22.408 -14.479 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.970 22.110 -14.932 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.540 23.568 -14.007 1.00 0.00 H new ATOM 706 N TYR A 45 -7.857 21.461 -9.955 1.00 0.00 N ATOM 707 CA TYR A 45 -8.090 20.795 -8.662 1.00 0.00 C ATOM 708 C TYR A 45 -9.584 20.445 -8.450 1.00 0.00 C ATOM 709 O TYR A 45 -9.905 19.294 -8.149 1.00 0.00 O ATOM 710 CB TYR A 45 -7.562 21.704 -7.526 1.00 0.00 C ATOM 711 CG TYR A 45 -8.051 21.362 -6.118 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.466 20.341 -5.362 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.111 22.070 -5.544 1.00 0.00 C ATOM 714 CE1 TYR A 45 -7.926 20.044 -4.092 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.564 21.777 -4.283 1.00 0.00 C ATOM 716 CZ TYR A 45 -8.973 20.765 -3.562 1.00 0.00 C ATOM 717 OH TYR A 45 -9.444 20.477 -2.308 1.00 0.00 O ATOM 0 H TYR A 45 -7.335 22.333 -9.872 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.549 19.849 -8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.473 21.665 -7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.845 22.733 -7.748 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.643 19.777 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.583 22.863 -6.105 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.467 19.252 -3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.382 22.339 -3.857 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.183 21.082 -2.089 1.00 0.00 H new ATOM 727 N LEU A 46 -10.476 21.448 -8.620 1.00 0.00 N ATOM 728 CA LEU A 46 -11.942 21.272 -8.435 1.00 0.00 C ATOM 729 C LEU A 46 -12.504 20.214 -9.393 1.00 0.00 C ATOM 730 O LEU A 46 -13.352 19.391 -9.001 1.00 0.00 O ATOM 731 CB LEU A 46 -12.706 22.607 -8.645 1.00 0.00 C ATOM 732 CG LEU A 46 -12.419 23.740 -7.615 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.283 24.982 -7.924 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.619 23.255 -6.156 1.00 0.00 C ATOM 0 H LEU A 46 -10.207 22.395 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.089 20.937 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.470 22.983 -9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.775 22.395 -8.630 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.371 24.023 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.070 25.764 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.052 25.346 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.338 24.714 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.409 24.074 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.648 22.922 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.940 22.427 -5.952 1.00 0.00 H new ATOM 746 N PHE A 47 -12.032 20.259 -10.657 1.00 0.00 N ATOM 747 CA PHE A 47 -12.367 19.254 -11.678 1.00 0.00 C ATOM 748 C PHE A 47 -11.977 17.840 -11.187 1.00 0.00 C ATOM 749 O PHE A 47 -12.805 16.934 -11.201 1.00 0.00 O ATOM 750 CB PHE A 47 -11.685 19.592 -13.048 1.00 0.00 C ATOM 751 CG PHE A 47 -11.566 18.400 -14.011 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.702 17.762 -14.525 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.315 17.887 -14.364 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.584 16.654 -15.350 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.201 16.788 -15.194 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.335 16.169 -15.684 1.00 0.00 C ATOM 0 H PHE A 47 -11.409 20.993 -10.994 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.445 19.272 -11.840 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.253 20.383 -13.537 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.688 19.988 -12.855 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.683 18.138 -14.275 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.421 18.358 -13.981 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.470 16.169 -15.732 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.224 16.412 -15.460 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.245 15.307 -16.328 1.00 0.00 H new ATOM 766 N LEU A 48 -10.720 17.693 -10.739 1.00 0.00 N ATOM 767 CA LEU A 48 -10.154 16.399 -10.318 1.00 0.00 C ATOM 768 C LEU A 48 -10.910 15.806 -9.110 1.00 0.00 C ATOM 769 O LEU A 48 -11.206 14.614 -9.090 1.00 0.00 O ATOM 770 CB LEU A 48 -8.648 16.544 -9.984 1.00 0.00 C ATOM 771 CG LEU A 48 -7.711 16.992 -11.147 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.250 17.070 -10.671 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.849 16.083 -12.387 1.00 0.00 C ATOM 0 H LEU A 48 -10.064 18.470 -10.658 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.269 15.710 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.548 17.263 -9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.289 15.586 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.025 17.990 -11.452 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.614 17.384 -11.499 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.170 17.791 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.929 16.090 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.178 16.433 -13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.590 15.059 -12.118 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.877 16.114 -12.748 1.00 0.00 H new ATOM 785 N VAL A 49 -11.233 16.651 -8.121 1.00 0.00 N ATOM 786 CA VAL A 49 -11.970 16.231 -6.910 1.00 0.00 C ATOM 787 C VAL A 49 -13.379 15.721 -7.291 1.00 0.00 C ATOM 788 O VAL A 49 -13.821 14.659 -6.823 1.00 0.00 O ATOM 789 CB VAL A 49 -12.074 17.402 -5.858 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.942 16.999 -4.644 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.666 17.854 -5.394 1.00 0.00 C ATOM 0 H VAL A 49 -10.994 17.643 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.412 15.419 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.562 18.242 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.991 17.830 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.948 16.750 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.500 16.133 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.764 18.662 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.148 17.013 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.095 18.205 -6.254 1.00 0.00 H new ATOM 801 N ASP A 50 -14.048 16.477 -8.183 1.00 0.00 N ATOM 802 CA ASP A 50 -15.389 16.130 -8.704 1.00 0.00 C ATOM 803 C ASP A 50 -15.335 14.839 -9.549 1.00 0.00 C ATOM 804 O ASP A 50 -16.260 14.018 -9.520 1.00 0.00 O ATOM 805 CB ASP A 50 -15.945 17.309 -9.549 1.00 0.00 C ATOM 806 CG ASP A 50 -17.399 17.095 -10.025 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.334 17.253 -9.202 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.616 16.770 -11.215 1.00 0.00 O ATOM 0 H ASP A 50 -13.675 17.347 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.055 15.950 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.896 18.224 -8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.304 17.456 -10.419 1.00 0.00 H new ATOM 813 N ALA A 51 -14.210 14.662 -10.261 1.00 0.00 N ATOM 814 CA ALA A 51 -13.989 13.536 -11.189 1.00 0.00 C ATOM 815 C ALA A 51 -13.351 12.317 -10.480 1.00 0.00 C ATOM 816 O ALA A 51 -12.876 11.384 -11.153 1.00 0.00 O ATOM 817 CB ALA A 51 -13.122 14.021 -12.363 1.00 0.00 C ATOM 0 H ALA A 51 -13.418 15.303 -10.209 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.953 13.197 -11.567 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.952 13.196 -13.055 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.633 14.831 -12.882 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.165 14.380 -11.985 1.00 0.00 H new ATOM 823 N LYS A 52 -13.333 12.353 -9.117 1.00 0.00 N ATOM 824 CA LYS A 52 -12.908 11.221 -8.236 1.00 0.00 C ATOM 825 C LYS A 52 -11.405 10.875 -8.411 1.00 0.00 C ATOM 826 O LYS A 52 -10.957 9.778 -8.055 1.00 0.00 O ATOM 827 CB LYS A 52 -13.809 9.964 -8.463 1.00 0.00 C ATOM 828 CG LYS A 52 -15.328 10.251 -8.462 1.00 0.00 C ATOM 829 CD LYS A 52 -15.848 10.880 -7.147 1.00 0.00 C ATOM 830 CE LYS A 52 -17.326 11.301 -7.245 1.00 0.00 C ATOM 831 NZ LYS A 52 -18.204 10.170 -7.654 1.00 0.00 N ATOM 0 H LYS A 52 -13.617 13.179 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.039 11.550 -7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.540 9.508 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.591 9.232 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.562 10.920 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.864 9.319 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.729 10.165 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.240 11.750 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.657 11.687 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.424 12.114 -7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.200 10.458 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.995 9.907 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.031 9.354 -7.033 1.00 0.00 H new ATOM 845 N GLN A 53 -10.645 11.837 -8.956 1.00 0.00 N ATOM 846 CA GLN A 53 -9.203 11.712 -9.214 1.00 0.00 C ATOM 847 C GLN A 53 -8.408 11.884 -7.902 1.00 0.00 C ATOM 848 O GLN A 53 -7.504 11.100 -7.607 1.00 0.00 O ATOM 849 CB GLN A 53 -8.765 12.783 -10.246 1.00 0.00 C ATOM 850 CG GLN A 53 -9.519 12.752 -11.595 1.00 0.00 C ATOM 851 CD GLN A 53 -9.203 11.537 -12.469 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.099 10.995 -12.437 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.167 11.113 -13.272 1.00 0.00 N ATOM 0 H GLN A 53 -11.024 12.742 -9.235 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.998 10.720 -9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.895 13.769 -9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.700 12.660 -10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.591 12.774 -11.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.279 13.657 -12.152 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.072 11.584 -13.275 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.005 10.316 -13.887 1.00 0.00 H new ATOM 862 N ILE A 54 -8.772 12.926 -7.120 1.00 0.00 N ATOM 863 CA ILE A 54 -8.127 13.251 -5.824 1.00 0.00 C ATOM 864 C ILE A 54 -9.190 13.577 -4.755 1.00 0.00 C ATOM 865 O ILE A 54 -10.381 13.722 -5.064 1.00 0.00 O ATOM 866 CB ILE A 54 -7.119 14.470 -5.936 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.833 15.723 -6.537 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.863 14.088 -6.746 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.967 16.963 -6.692 1.00 0.00 C ATOM 0 H ILE A 54 -9.524 13.568 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.560 12.367 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.785 14.727 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.232 15.456 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.684 15.973 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.193 14.946 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.351 13.260 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.156 13.788 -7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.562 17.771 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.588 17.266 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.130 16.742 -7.354 1.00 0.00 H new ATOM 881 N ALA A 55 -8.720 13.705 -3.501 1.00 0.00 N ATOM 882 CA ALA A 55 -9.555 14.014 -2.331 1.00 0.00 C ATOM 883 C ALA A 55 -9.541 15.535 -2.055 1.00 0.00 C ATOM 884 O ALA A 55 -8.509 16.192 -2.271 1.00 0.00 O ATOM 885 CB ALA A 55 -9.045 13.228 -1.106 1.00 0.00 C ATOM 0 H ALA A 55 -7.733 13.594 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.584 13.715 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.666 13.460 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.095 12.159 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.013 13.509 -0.897 1.00 0.00 H new ATOM 891 N PRO A 56 -10.682 16.127 -1.579 1.00 0.00 N ATOM 892 CA PRO A 56 -10.755 17.567 -1.258 1.00 0.00 C ATOM 893 C PRO A 56 -9.985 17.920 0.037 1.00 0.00 C ATOM 894 O PRO A 56 -10.223 17.331 1.103 1.00 0.00 O ATOM 895 CB PRO A 56 -12.277 17.823 -1.117 1.00 0.00 C ATOM 896 CG PRO A 56 -12.839 16.509 -0.670 1.00 0.00 C ATOM 897 CD PRO A 56 -11.993 15.447 -1.346 1.00 0.00 C ATOM 0 HA PRO A 56 -10.288 18.191 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.481 18.610 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.715 18.141 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.794 16.413 0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.887 16.414 -0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.879 14.565 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.442 15.114 -2.282 1.00 0.00 H new ATOM 905 N LEU A 57 -9.040 18.857 -0.092 1.00 0.00 N ATOM 906 CA LEU A 57 -8.326 19.475 1.038 1.00 0.00 C ATOM 907 C LEU A 57 -9.315 20.209 1.982 1.00 0.00 C ATOM 908 O LEU A 57 -10.341 20.726 1.510 1.00 0.00 O ATOM 909 CB LEU A 57 -7.288 20.491 0.491 1.00 0.00 C ATOM 910 CG LEU A 57 -6.189 19.897 -0.444 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.396 21.018 -1.143 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.247 18.938 0.329 1.00 0.00 C ATOM 0 H LEU A 57 -8.742 19.216 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.824 18.691 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.821 21.270 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.798 20.973 1.337 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.689 19.311 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.636 20.578 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.075 21.625 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.915 21.646 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.493 18.542 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.757 19.482 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.828 18.115 0.746 1.00 0.00 H new ATOM 924 N PRO A 58 -9.037 20.260 3.327 1.00 0.00 N ATOM 925 CA PRO A 58 -9.832 21.081 4.271 1.00 0.00 C ATOM 926 C PRO A 58 -9.677 22.583 3.969 1.00 0.00 C ATOM 927 O PRO A 58 -8.741 22.993 3.263 1.00 0.00 O ATOM 928 CB PRO A 58 -9.258 20.697 5.661 1.00 0.00 C ATOM 929 CG PRO A 58 -7.872 20.217 5.376 1.00 0.00 C ATOM 930 CD PRO A 58 -7.950 19.527 4.031 1.00 0.00 C ATOM 0 HA PRO A 58 -10.904 20.896 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.250 21.552 6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.857 19.920 6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.167 21.048 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.528 19.531 6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.006 19.593 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.183 18.467 4.136 1.00 0.00 H new ATOM 938 N ASP A 59 -10.600 23.388 4.506 1.00 0.00 N ATOM 939 CA ASP A 59 -10.664 24.842 4.259 1.00 0.00 C ATOM 940 C ASP A 59 -9.341 25.543 4.651 1.00 0.00 C ATOM 941 O ASP A 59 -8.863 26.434 3.942 1.00 0.00 O ATOM 942 CB ASP A 59 -11.863 25.453 5.033 1.00 0.00 C ATOM 943 CG ASP A 59 -12.101 26.945 4.722 1.00 0.00 C ATOM 944 OD1 ASP A 59 -12.780 27.255 3.718 1.00 0.00 O ATOM 945 OD2 ASP A 59 -11.607 27.816 5.477 1.00 0.00 O ATOM 0 H ASP A 59 -11.332 23.051 5.131 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.810 25.003 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.765 24.891 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.692 25.336 6.103 1.00 0.00 H new ATOM 950 N SER A 60 -8.743 25.081 5.764 1.00 0.00 N ATOM 951 CA SER A 60 -7.462 25.602 6.280 1.00 0.00 C ATOM 952 C SER A 60 -6.296 25.325 5.286 1.00 0.00 C ATOM 953 O SER A 60 -5.391 26.153 5.126 1.00 0.00 O ATOM 954 CB SER A 60 -7.159 24.952 7.650 1.00 0.00 C ATOM 955 OG SER A 60 -8.270 25.057 8.534 1.00 0.00 O ATOM 0 H SER A 60 -9.136 24.332 6.334 1.00 0.00 H new ATOM 0 HA SER A 60 -7.549 26.682 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.904 23.902 7.507 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.289 25.433 8.098 1.00 0.00 H new ATOM 0 HG SER A 60 -8.048 24.635 9.390 1.00 0.00 H new ATOM 961 N LYS A 61 -6.341 24.145 4.626 1.00 0.00 N ATOM 962 CA LYS A 61 -5.295 23.696 3.670 1.00 0.00 C ATOM 963 C LYS A 61 -5.748 23.928 2.221 1.00 0.00 C ATOM 964 O LYS A 61 -5.118 23.430 1.285 1.00 0.00 O ATOM 965 CB LYS A 61 -4.921 22.190 3.900 1.00 0.00 C ATOM 966 CG LYS A 61 -4.065 21.916 5.173 1.00 0.00 C ATOM 967 CD LYS A 61 -4.803 22.245 6.495 1.00 0.00 C ATOM 968 CE LYS A 61 -3.885 22.255 7.727 1.00 0.00 C ATOM 969 NZ LYS A 61 -3.372 20.908 8.055 1.00 0.00 N ATOM 0 H LYS A 61 -7.102 23.475 4.739 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.401 24.292 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.840 21.608 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.376 21.828 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.768 20.867 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.150 22.506 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.281 23.220 6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.597 21.514 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.046 22.927 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.433 22.651 8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.758 20.965 8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.170 20.271 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.827 20.539 7.250 1.00 0.00 H new ATOM 983 N LEU A 62 -6.834 24.703 2.030 1.00 0.00 N ATOM 984 CA LEU A 62 -7.269 25.137 0.689 1.00 0.00 C ATOM 985 C LEU A 62 -6.451 26.390 0.330 1.00 0.00 C ATOM 986 O LEU A 62 -6.917 27.529 0.441 1.00 0.00 O ATOM 987 CB LEU A 62 -8.822 25.379 0.643 1.00 0.00 C ATOM 988 CG LEU A 62 -9.547 24.995 -0.693 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.096 25.865 -1.887 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.367 23.494 -0.987 1.00 0.00 C ATOM 0 H LEU A 62 -7.426 25.041 2.789 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.084 24.362 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.280 24.814 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.010 26.434 0.843 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.609 25.198 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.630 25.555 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.315 26.912 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.024 25.743 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.876 23.242 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.305 23.266 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.793 22.910 -0.171 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.191 26.125 -0.022 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.147 27.130 -0.269 1.00 0.00 C ATOM 1004 C ASP A 63 -3.392 26.746 -1.544 1.00 0.00 C ATOM 1005 O ASP A 63 -3.194 25.562 -1.789 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.188 27.173 0.950 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.855 27.906 0.685 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.819 29.151 0.767 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.839 27.233 0.384 1.00 0.00 O ATOM 0 H ASP A 63 -4.854 25.170 -0.148 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.585 28.120 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.698 27.660 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.971 26.152 1.263 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.948 27.764 -2.308 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.312 27.586 -3.626 1.00 0.00 C ATOM 1016 C GLY A 64 -1.228 26.504 -3.678 1.00 0.00 C ATOM 1017 O GLY A 64 -1.225 25.678 -4.587 1.00 0.00 O ATOM 0 H GLY A 64 -3.022 28.741 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.084 27.342 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.872 28.535 -3.932 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.342 26.483 -2.662 1.00 0.00 N ATOM 1022 CA ALA A 65 0.782 25.518 -2.582 1.00 0.00 C ATOM 1023 C ALA A 65 0.275 24.081 -2.326 1.00 0.00 C ATOM 1024 O ALA A 65 0.807 23.116 -2.886 1.00 0.00 O ATOM 1025 CB ALA A 65 1.763 25.947 -1.480 1.00 0.00 C ATOM 0 H ALA A 65 -0.382 27.130 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 65 1.300 25.518 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.586 25.234 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.156 26.938 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.244 25.974 -0.522 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.759 23.961 -1.470 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.386 22.661 -1.116 1.00 0.00 C ATOM 1033 C ASN A 66 -2.189 22.095 -2.309 1.00 0.00 C ATOM 1034 O ASN A 66 -2.265 20.869 -2.496 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.304 22.820 0.128 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.535 23.160 1.409 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.266 24.436 1.640 1.00 0.00 O flip ATOM 1038 ND2 ASN A 66 -1.166 22.274 2.182 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.187 24.760 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.591 21.956 -0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.036 23.604 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.860 21.895 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.386 21.298 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.641 22.516 3.022 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.799 23.006 -3.095 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.500 22.671 -4.350 1.00 0.00 C ATOM 1047 C ILE A 67 -2.499 22.072 -5.361 1.00 0.00 C ATOM 1048 O ILE A 67 -2.758 21.029 -5.972 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.190 23.945 -4.988 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.249 24.587 -4.033 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.835 23.599 -6.346 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.448 23.712 -3.739 1.00 0.00 C ATOM 0 H ILE A 67 -2.819 24.002 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.277 21.944 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.404 24.683 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.762 24.841 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.597 25.521 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.303 24.490 -6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.069 23.236 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.590 22.826 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.128 24.239 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.965 23.478 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.117 22.788 -3.266 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.345 22.751 -5.502 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.231 22.321 -6.375 1.00 0.00 C ATOM 1066 C LYS A 68 0.300 20.939 -5.957 1.00 0.00 C ATOM 1067 O LYS A 68 0.713 20.145 -6.806 1.00 0.00 O ATOM 1068 CB LYS A 68 0.908 23.368 -6.323 1.00 0.00 C ATOM 1069 CG LYS A 68 0.550 24.721 -6.966 1.00 0.00 C ATOM 1070 CD LYS A 68 1.592 25.817 -6.684 1.00 0.00 C ATOM 1071 CE LYS A 68 1.190 27.189 -7.254 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.116 28.258 -6.806 1.00 0.00 N ATOM 0 H LYS A 68 -1.156 23.623 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.605 22.243 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.186 23.535 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.785 22.960 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.452 24.590 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.422 25.047 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.736 25.905 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.550 25.519 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.185 27.144 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.175 27.431 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.816 29.169 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.102 28.317 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.081 28.039 -7.127 1.00 0.00 H new ATOM 1086 N HIS A 69 0.278 20.681 -4.633 1.00 0.00 N ATOM 1087 CA HIS A 69 0.701 19.395 -4.055 1.00 0.00 C ATOM 1088 C HIS A 69 -0.270 18.270 -4.482 1.00 0.00 C ATOM 1089 O HIS A 69 0.157 17.163 -4.817 1.00 0.00 O ATOM 1090 CB HIS A 69 0.801 19.506 -2.507 1.00 0.00 C ATOM 1091 CG HIS A 69 1.550 18.374 -1.849 1.00 0.00 C ATOM 1092 ND1 HIS A 69 0.945 17.409 -1.066 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.869 18.063 -1.864 1.00 0.00 C ATOM 1094 CE1 HIS A 69 1.858 16.562 -0.630 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.032 16.936 -1.097 1.00 0.00 N ATOM 0 H HIS A 69 -0.034 21.359 -3.938 1.00 0.00 H new ATOM 0 HA HIS A 69 1.691 19.142 -4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.291 20.446 -2.253 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.206 19.549 -2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.648 18.602 -2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.674 15.706 0.003 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.919 16.464 -0.918 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.581 18.585 -4.487 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.633 17.660 -4.975 1.00 0.00 C ATOM 1106 C ARG A 70 -2.409 17.296 -6.449 1.00 0.00 C ATOM 1107 O ARG A 70 -2.421 16.115 -6.807 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.060 18.266 -4.783 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.697 17.996 -3.411 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.805 16.489 -3.114 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.573 16.216 -1.888 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.377 15.174 -1.067 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.409 14.287 -1.296 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.152 15.030 -0.011 1.00 0.00 N ATOM 0 H ARG A 70 -1.942 19.480 -4.156 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.565 16.751 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.005 19.344 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.716 17.867 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.103 18.477 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.690 18.445 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.280 15.988 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.805 16.068 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.314 16.873 -1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.801 14.394 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.276 13.501 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.892 15.707 0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.012 14.241 0.620 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.187 18.328 -7.273 1.00 0.00 N ATOM 1129 CA LEU A 71 -1.985 18.175 -8.725 1.00 0.00 C ATOM 1130 C LEU A 71 -0.699 17.377 -9.025 1.00 0.00 C ATOM 1131 O LEU A 71 -0.658 16.574 -9.965 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.914 19.560 -9.422 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.118 20.535 -9.197 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.056 21.720 -10.174 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.479 19.817 -9.280 1.00 0.00 C ATOM 0 H LEU A 71 -2.142 19.296 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.839 17.624 -9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.006 20.061 -9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.809 19.394 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.028 20.922 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.903 22.382 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.127 22.270 -10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.093 21.349 -11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.281 20.537 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.592 19.365 -10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.528 19.041 -8.517 1.00 0.00 H new ATOM 1147 N ALA A 72 0.328 17.619 -8.191 1.00 0.00 N ATOM 1148 CA ALA A 72 1.652 16.995 -8.319 1.00 0.00 C ATOM 1149 C ALA A 72 1.580 15.479 -8.122 1.00 0.00 C ATOM 1150 O ALA A 72 1.994 14.719 -8.992 1.00 0.00 O ATOM 1151 CB ALA A 72 2.625 17.609 -7.310 1.00 0.00 C ATOM 0 H ALA A 72 0.259 18.261 -7.401 1.00 0.00 H new ATOM 0 HA ALA A 72 2.013 17.185 -9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.603 17.138 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.716 18.679 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.251 17.447 -6.299 1.00 0.00 H new ATOM 1157 N LEU A 73 1.048 15.049 -6.959 1.00 0.00 N ATOM 1158 CA LEU A 73 0.936 13.611 -6.626 1.00 0.00 C ATOM 1159 C LEU A 73 -0.140 12.914 -7.475 1.00 0.00 C ATOM 1160 O LEU A 73 -0.044 11.699 -7.702 1.00 0.00 O ATOM 1161 CB LEU A 73 0.683 13.364 -5.114 1.00 0.00 C ATOM 1162 CG LEU A 73 1.915 13.597 -4.176 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.184 15.093 -3.949 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.764 12.832 -2.849 1.00 0.00 C ATOM 0 H LEU A 73 0.690 15.673 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 73 1.903 13.170 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.128 14.016 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.339 12.338 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 73 2.791 13.193 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.046 15.212 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.386 15.576 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.311 15.554 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.636 13.016 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.867 13.173 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.682 11.764 -3.052 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.147 13.689 -7.947 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.173 13.170 -8.869 1.00 0.00 C ATOM 1178 C TRP A 74 -1.510 12.678 -10.155 1.00 0.00 C ATOM 1179 O TRP A 74 -1.633 11.505 -10.514 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.252 14.230 -9.240 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.188 13.742 -10.333 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -5.098 12.730 -10.236 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.260 14.211 -11.694 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.722 12.541 -11.440 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.235 13.441 -12.346 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.598 15.209 -12.412 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.558 13.623 -13.682 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.924 15.399 -13.741 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.901 14.612 -14.362 1.00 0.00 C ATOM 0 H TRP A 74 -1.266 14.672 -7.702 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.675 12.354 -8.348 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.833 14.480 -8.352 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.761 15.146 -9.568 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.297 12.161 -9.340 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.437 11.839 -11.631 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.845 15.821 -11.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.300 13.007 -14.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.418 16.166 -14.309 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.141 14.789 -15.400 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.821 13.608 -10.842 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.200 13.335 -12.138 1.00 0.00 C ATOM 1202 C ILE A 75 0.968 12.351 -11.965 1.00 0.00 C ATOM 1203 O ILE A 75 1.186 11.522 -12.814 1.00 0.00 O ATOM 1204 CB ILE A 75 0.254 14.654 -12.881 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.612 14.364 -14.378 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.427 15.354 -12.154 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.509 13.734 -15.199 1.00 0.00 C ATOM 0 H ILE A 75 -0.683 14.563 -10.511 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.953 12.874 -12.777 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.592 15.341 -12.862 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.908 15.299 -14.853 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.479 13.704 -14.407 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.707 16.256 -12.699 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.121 15.621 -11.143 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.281 14.679 -12.108 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.165 13.572 -16.220 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.792 12.779 -14.756 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.372 14.400 -15.208 1.00 0.00 H new ATOM 1219 N HIS A 76 1.652 12.405 -10.807 1.00 0.00 N ATOM 1220 CA HIS A 76 2.772 11.496 -10.477 1.00 0.00 C ATOM 1221 C HIS A 76 2.269 10.040 -10.316 1.00 0.00 C ATOM 1222 O HIS A 76 3.008 9.082 -10.561 1.00 0.00 O ATOM 1223 CB HIS A 76 3.476 11.980 -9.183 1.00 0.00 C ATOM 1224 CG HIS A 76 4.838 11.404 -8.951 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.224 10.838 -7.759 1.00 0.00 N ATOM 1226 CD2 HIS A 76 5.929 11.370 -9.751 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.487 10.482 -7.838 1.00 0.00 C ATOM 1228 NE2 HIS A 76 6.940 10.792 -9.034 1.00 0.00 N ATOM 0 H HIS A 76 1.445 13.080 -10.071 1.00 0.00 H new ATOM 0 HA HIS A 76 3.491 11.512 -11.296 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.558 13.066 -9.217 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.844 11.734 -8.330 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.990 11.732 -10.767 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.059 10.013 -7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.889 10.628 -9.371 1.00 0.00 H new ATOM 1237 N ALA A 77 1.003 9.910 -9.865 1.00 0.00 N ATOM 1238 CA ALA A 77 0.289 8.615 -9.778 1.00 0.00 C ATOM 1239 C ALA A 77 -0.349 8.231 -11.133 1.00 0.00 C ATOM 1240 O ALA A 77 -0.452 7.044 -11.463 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.787 8.693 -8.679 1.00 0.00 C ATOM 0 H ALA A 77 0.444 10.703 -9.549 1.00 0.00 H new ATOM 0 HA ALA A 77 1.011 7.839 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.312 7.740 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.314 8.911 -7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.498 9.483 -8.921 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.776 9.255 -11.900 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.476 9.075 -13.194 1.00 0.00 C ATOM 1249 C ALA A 78 -0.497 8.617 -14.286 1.00 0.00 C ATOM 1250 O ALA A 78 -0.874 7.870 -15.190 1.00 0.00 O ATOM 1251 CB ALA A 78 -2.194 10.378 -13.611 1.00 0.00 C ATOM 0 H ALA A 78 -0.646 10.233 -11.641 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.229 8.297 -13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.702 10.225 -14.563 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.925 10.650 -12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.462 11.179 -13.715 1.00 0.00 H new ATOM 1257 N LEU A 79 0.762 9.076 -14.167 1.00 0.00 N ATOM 1258 CA LEU A 79 1.866 8.665 -15.042 1.00 0.00 C ATOM 1259 C LEU A 79 2.175 7.176 -14.796 1.00 0.00 C ATOM 1260 O LEU A 79 2.586 6.819 -13.682 1.00 0.00 O ATOM 1261 CB LEU A 79 3.122 9.539 -14.775 1.00 0.00 C ATOM 1262 CG LEU A 79 2.993 11.047 -15.178 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.182 11.872 -14.653 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.804 11.228 -16.703 1.00 0.00 C ATOM 0 H LEU A 79 1.040 9.749 -13.453 1.00 0.00 H new ATOM 0 HA LEU A 79 1.578 8.804 -16.084 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.362 9.484 -13.713 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.965 9.108 -15.315 1.00 0.00 H new ATOM 0 HG LEU A 79 2.090 11.429 -14.701 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.061 12.914 -14.950 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.218 11.807 -13.566 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.109 11.481 -15.071 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.719 12.289 -16.936 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.662 10.809 -17.228 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.897 10.713 -17.021 1.00 0.00 H new ATOM 1276 N PRO A 80 1.946 6.278 -15.813 1.00 0.00 N ATOM 1277 CA PRO A 80 2.202 4.819 -15.678 1.00 0.00 C ATOM 1278 C PRO A 80 3.682 4.501 -15.378 1.00 0.00 C ATOM 1279 O PRO A 80 4.004 3.499 -14.724 1.00 0.00 O ATOM 1280 CB PRO A 80 1.772 4.251 -17.060 1.00 0.00 C ATOM 1281 CG PRO A 80 0.851 5.285 -17.626 1.00 0.00 C ATOM 1282 CD PRO A 80 1.406 6.606 -17.164 1.00 0.00 C ATOM 0 HA PRO A 80 1.658 4.382 -14.841 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.634 4.091 -17.708 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.270 3.289 -16.954 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.819 5.230 -18.714 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.169 5.141 -17.270 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.184 6.975 -17.833 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.635 7.375 -17.117 1.00 0.00 H new ATOM 1290 N ASP A 81 4.565 5.386 -15.867 1.00 0.00 N ATOM 1291 CA ASP A 81 6.022 5.281 -15.684 1.00 0.00 C ATOM 1292 C ASP A 81 6.443 5.763 -14.277 1.00 0.00 C ATOM 1293 O ASP A 81 7.520 5.403 -13.796 1.00 0.00 O ATOM 1294 CB ASP A 81 6.742 6.094 -16.798 1.00 0.00 C ATOM 1295 CG ASP A 81 8.270 5.883 -16.855 1.00 0.00 C ATOM 1296 OD1 ASP A 81 8.710 4.731 -17.064 1.00 0.00 O ATOM 1297 OD2 ASP A 81 9.034 6.865 -16.741 1.00 0.00 O ATOM 0 H ASP A 81 4.284 6.204 -16.407 1.00 0.00 H new ATOM 0 HA ASP A 81 6.316 4.235 -15.765 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.314 5.823 -17.763 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.539 7.154 -16.646 1.00 0.00 H new ATOM 1302 N ASN A 82 5.556 6.561 -13.625 1.00 0.00 N ATOM 1303 CA ASN A 82 5.777 7.133 -12.265 1.00 0.00 C ATOM 1304 C ASN A 82 6.988 8.094 -12.238 1.00 0.00 C ATOM 1305 O ASN A 82 7.584 8.330 -11.173 1.00 0.00 O ATOM 1306 CB ASN A 82 5.931 6.006 -11.187 1.00 0.00 C ATOM 1307 CG ASN A 82 4.668 5.158 -10.993 1.00 0.00 C ATOM 1308 OD1 ASN A 82 3.832 5.450 -10.138 1.00 0.00 O ATOM 1309 ND2 ASN A 82 4.520 4.107 -11.789 1.00 0.00 N ATOM 0 H ASN A 82 4.659 6.829 -14.030 1.00 0.00 H new ATOM 0 HA ASN A 82 4.890 7.715 -12.015 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.755 5.353 -11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.201 6.462 -10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.695 3.514 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.231 3.892 -12.488 1.00 0.00 H new ATOM 1316 N ASP A 83 7.303 8.685 -13.407 1.00 0.00 N ATOM 1317 CA ASP A 83 8.488 9.551 -13.593 1.00 0.00 C ATOM 1318 C ASP A 83 8.348 10.889 -12.814 1.00 0.00 C ATOM 1319 O ASP A 83 7.226 11.372 -12.618 1.00 0.00 O ATOM 1320 CB ASP A 83 8.720 9.813 -15.110 1.00 0.00 C ATOM 1321 CG ASP A 83 7.574 10.582 -15.791 1.00 0.00 C ATOM 1322 OD1 ASP A 83 6.591 9.938 -16.239 1.00 0.00 O ATOM 1323 OD2 ASP A 83 7.654 11.828 -15.893 1.00 0.00 O ATOM 0 H ASP A 83 6.743 8.576 -14.252 1.00 0.00 H new ATOM 0 HA ASP A 83 9.356 9.032 -13.186 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.646 10.374 -15.235 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.856 8.858 -15.617 1.00 0.00 H new ATOM 1328 N PRO A 84 9.491 11.512 -12.356 1.00 0.00 N ATOM 1329 CA PRO A 84 9.462 12.760 -11.559 1.00 0.00 C ATOM 1330 C PRO A 84 9.400 14.037 -12.420 1.00 0.00 C ATOM 1331 O PRO A 84 9.343 15.138 -11.872 1.00 0.00 O ATOM 1332 CB PRO A 84 10.790 12.673 -10.766 1.00 0.00 C ATOM 1333 CG PRO A 84 11.740 11.951 -11.684 1.00 0.00 C ATOM 1334 CD PRO A 84 10.898 11.048 -12.573 1.00 0.00 C ATOM 0 HA PRO A 84 8.571 12.835 -10.936 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.164 13.665 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.657 12.131 -9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.310 12.660 -12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.460 11.366 -11.112 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.189 11.139 -13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.017 10.000 -12.299 1.00 0.00 H new ATOM 1342 N LEU A 85 9.387 13.871 -13.764 1.00 0.00 N ATOM 1343 CA LEU A 85 9.523 14.985 -14.737 1.00 0.00 C ATOM 1344 C LEU A 85 10.862 15.725 -14.533 1.00 0.00 C ATOM 1345 O LEU A 85 10.961 16.937 -14.741 1.00 0.00 O ATOM 1346 CB LEU A 85 8.318 15.974 -14.700 1.00 0.00 C ATOM 1347 CG LEU A 85 6.946 15.415 -15.181 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.290 14.506 -14.129 1.00 0.00 C ATOM 1349 CD2 LEU A 85 6.004 16.551 -15.625 1.00 0.00 C ATOM 0 H LEU A 85 9.282 12.958 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 85 9.519 14.539 -15.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.201 16.331 -13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.568 16.840 -15.314 1.00 0.00 H new ATOM 0 HG LEU A 85 7.140 14.791 -16.053 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.336 14.140 -14.509 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.945 13.661 -13.919 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.123 15.072 -13.213 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.055 16.129 -15.955 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.829 17.227 -14.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.461 17.102 -16.447 1.00 0.00 H new ATOM 1361 N LYS A 86 11.892 14.963 -14.139 1.00 0.00 N ATOM 1362 CA LYS A 86 13.265 15.471 -13.992 1.00 0.00 C ATOM 1363 C LYS A 86 13.805 15.820 -15.401 1.00 0.00 C ATOM 1364 O LYS A 86 13.879 14.911 -16.249 1.00 0.00 O ATOM 1365 CB LYS A 86 14.131 14.403 -13.246 1.00 0.00 C ATOM 1366 CG LYS A 86 15.562 14.840 -12.808 1.00 0.00 C ATOM 1367 CD LYS A 86 16.618 14.794 -13.943 1.00 0.00 C ATOM 1368 CE LYS A 86 18.009 15.287 -13.506 1.00 0.00 C ATOM 1369 NZ LYS A 86 18.965 15.298 -14.647 1.00 0.00 N ATOM 1370 OXT LYS A 86 14.114 17.003 -15.660 1.00 0.00 O ATOM 0 H LYS A 86 11.797 13.973 -13.912 1.00 0.00 H new ATOM 0 HA LYS A 86 13.300 16.379 -13.390 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.586 14.084 -12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.225 13.530 -13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.514 15.855 -12.413 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.893 14.196 -11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.702 13.771 -14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.270 15.404 -14.777 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.926 16.291 -13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.393 14.643 -12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.893 15.635 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.061 14.335 -15.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.610 15.931 -15.391 1.00 0.00 H new TER 1384 LYS A 86