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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 MET CE :methyl -169:sc= -1.16 (180deg=-1.42) USER MOD Set 2.1: A 8 ASN : amide:sc= 0 X(o=0,f=0.043) USER MOD Set 2.2: A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.0628 USER MOD Set 3.2: A 4 THR OG1 : rot 1:sc= 0.0421 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0334 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.0106 (180deg=-0.0743) USER MOD Single : A 3 LYS NZ :NH3+ 138:sc= -0.957 (180deg=-3.26!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0.0384 (180deg=0.0316) 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 24 MET CE :methyl -164:sc= -0.603 (180deg=-1.24) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0388 X(o=-0.039,f=-0.055) USER MOD Single : A 34 GLN : amide:sc=-0.00644 X(o=-0.0064,f=-0.0082) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00421) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.452 USER MOD Single : A 52 LYS NZ :NH3+ -116:sc= 1.29 (180deg=-0.551) USER MOD Single : A 53 GLN : amide:sc= 0.143 K(o=0.14,f=-4.1!) 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= -0.16 X(o=-0.16,f=-0.14) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= 0.653 (180deg=0.436) USER MOD Single : A 69 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.088) USER MOD Single : A 76 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-0.88) USER MOD Single : A 82 ASN : amide:sc= 0.156 X(o=0.16,f=-0.019) USER MOD Single : A 86 LYS NZ :NH3+ 143:sc= -0.357 (180deg=-2.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.351 -2.106 -3.852 1.00 0.00 N ATOM 2 CA MET A 1 6.608 -0.667 -4.100 1.00 0.00 C ATOM 3 C MET A 1 6.841 0.071 -2.764 1.00 0.00 C ATOM 4 O MET A 1 6.091 -0.118 -1.797 1.00 0.00 O ATOM 5 CB MET A 1 5.438 -0.040 -4.921 1.00 0.00 C ATOM 6 CG MET A 1 4.052 -0.144 -4.265 1.00 0.00 C ATOM 7 SD MET A 1 2.709 0.470 -5.311 1.00 0.00 S ATOM 8 CE MET A 1 2.699 -0.717 -6.659 1.00 0.00 C ATOM 0 H1 MET A 1 5.612 -2.444 -4.501 1.00 0.00 H new ATOM 0 H2 MET A 1 7.225 -2.647 -4.010 1.00 0.00 H new ATOM 0 H3 MET A 1 6.035 -2.238 -2.870 1.00 0.00 H new ATOM 0 HA MET A 1 7.515 -0.560 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.661 1.012 -5.097 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.398 -0.525 -5.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.857 -1.186 -4.011 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.059 0.416 -3.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.763 -0.632 -7.212 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.535 -0.515 -7.328 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.792 -1.726 -6.256 1.00 0.00 H new ATOM 18 N SER A 2 7.904 0.891 -2.710 1.00 0.00 N ATOM 19 CA SER A 2 8.268 1.676 -1.510 1.00 0.00 C ATOM 20 C SER A 2 7.760 3.132 -1.622 1.00 0.00 C ATOM 21 O SER A 2 8.064 3.961 -0.748 1.00 0.00 O ATOM 22 CB SER A 2 9.808 1.657 -1.329 1.00 0.00 C ATOM 23 OG SER A 2 10.475 2.230 -2.445 1.00 0.00 O ATOM 0 H SER A 2 8.538 1.031 -3.496 1.00 0.00 H new ATOM 0 HA SER A 2 7.793 1.223 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.075 2.204 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.146 0.630 -1.191 1.00 0.00 H new ATOM 0 HG SER A 2 11.443 2.203 -2.297 1.00 0.00 H new ATOM 29 N LYS A 3 6.981 3.400 -2.701 1.00 0.00 N ATOM 30 CA LYS A 3 6.569 4.741 -3.165 1.00 0.00 C ATOM 31 C LYS A 3 7.766 5.475 -3.789 1.00 0.00 C ATOM 32 O LYS A 3 7.750 5.771 -4.995 1.00 0.00 O ATOM 33 CB LYS A 3 5.902 5.606 -2.048 1.00 0.00 C ATOM 34 CG LYS A 3 5.455 7.021 -2.506 1.00 0.00 C ATOM 35 CD LYS A 3 4.762 7.861 -1.395 1.00 0.00 C ATOM 36 CE LYS A 3 3.363 7.335 -0.980 1.00 0.00 C ATOM 37 NZ LYS A 3 3.422 6.074 -0.188 1.00 0.00 N ATOM 0 H LYS A 3 6.611 2.656 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 3 5.801 4.590 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.033 5.072 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.604 5.711 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.327 7.566 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.771 6.919 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.406 7.881 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.663 8.890 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.853 8.100 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.765 7.167 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.742 6.125 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.184 5.268 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.381 5.948 0.193 1.00 0.00 H new ATOM 51 N THR A 4 8.796 5.742 -2.938 1.00 0.00 N ATOM 52 CA THR A 4 10.005 6.508 -3.284 1.00 0.00 C ATOM 53 C THR A 4 9.647 7.993 -3.503 1.00 0.00 C ATOM 54 O THR A 4 8.832 8.322 -4.380 1.00 0.00 O ATOM 55 CB THR A 4 10.754 5.919 -4.535 1.00 0.00 C ATOM 56 OG1 THR A 4 11.029 4.522 -4.323 1.00 0.00 O ATOM 57 CG2 THR A 4 12.074 6.655 -4.835 1.00 0.00 C ATOM 0 H THR A 4 8.798 5.418 -1.971 1.00 0.00 H new ATOM 0 HA THR A 4 10.695 6.427 -2.444 1.00 0.00 H new ATOM 0 HB THR A 4 10.098 6.055 -5.394 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.678 4.248 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.550 6.208 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.867 7.707 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.740 6.572 -3.976 1.00 0.00 H new ATOM 65 N ALA A 5 10.227 8.881 -2.676 1.00 0.00 N ATOM 66 CA ALA A 5 10.056 10.336 -2.811 1.00 0.00 C ATOM 67 C ALA A 5 10.791 10.826 -4.079 1.00 0.00 C ATOM 68 O ALA A 5 11.915 11.326 -4.015 1.00 0.00 O ATOM 69 CB ALA A 5 10.553 11.053 -1.543 1.00 0.00 C ATOM 0 H ALA A 5 10.826 8.609 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 5 8.998 10.574 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.420 12.129 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.982 10.707 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.609 10.832 -1.391 1.00 0.00 H new ATOM 75 N LYS A 6 10.140 10.604 -5.234 1.00 0.00 N ATOM 76 CA LYS A 6 10.684 10.866 -6.578 1.00 0.00 C ATOM 77 C LYS A 6 9.943 12.089 -7.156 1.00 0.00 C ATOM 78 O LYS A 6 9.421 12.081 -8.277 1.00 0.00 O ATOM 79 CB LYS A 6 10.494 9.565 -7.426 1.00 0.00 C ATOM 80 CG LYS A 6 11.215 9.545 -8.800 1.00 0.00 C ATOM 81 CD LYS A 6 11.116 8.171 -9.519 1.00 0.00 C ATOM 82 CE LYS A 6 11.768 7.032 -8.708 1.00 0.00 C ATOM 83 NZ LYS A 6 11.675 5.722 -9.393 1.00 0.00 N ATOM 0 H LYS A 6 9.193 10.226 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 6 11.748 11.103 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.846 8.717 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.427 9.416 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.786 10.315 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.265 9.799 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.067 7.932 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.597 8.240 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.816 7.271 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.286 6.963 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.127 4.991 -8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.675 5.478 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.157 5.776 -10.313 1.00 0.00 H new ATOM 97 N LEU A 7 9.910 13.150 -6.334 1.00 0.00 N ATOM 98 CA LEU A 7 9.096 14.348 -6.573 1.00 0.00 C ATOM 99 C LEU A 7 9.777 15.524 -5.839 1.00 0.00 C ATOM 100 O LEU A 7 9.928 15.479 -4.613 1.00 0.00 O ATOM 101 CB LEU A 7 7.640 14.071 -6.053 1.00 0.00 C ATOM 102 CG LEU A 7 6.487 15.047 -6.505 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.094 14.401 -6.281 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.555 16.425 -5.799 1.00 0.00 C ATOM 0 H LEU A 7 10.456 13.198 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 7 9.021 14.600 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.363 13.063 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.670 14.074 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 7 6.634 15.223 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.316 15.094 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.022 13.481 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.965 14.173 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.737 17.054 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.470 16.286 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.506 16.905 -6.029 1.00 0.00 H new ATOM 116 N ASN A 8 10.189 16.556 -6.596 1.00 0.00 N ATOM 117 CA ASN A 8 10.918 17.725 -6.052 1.00 0.00 C ATOM 118 C ASN A 8 10.379 19.020 -6.684 1.00 0.00 C ATOM 119 O ASN A 8 9.745 19.836 -5.992 1.00 0.00 O ATOM 120 CB ASN A 8 12.445 17.563 -6.293 1.00 0.00 C ATOM 121 CG ASN A 8 13.271 18.756 -5.801 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.571 19.671 -6.563 1.00 0.00 O ATOM 123 ND2 ASN A 8 13.613 18.771 -4.518 1.00 0.00 N ATOM 0 H ASN A 8 10.028 16.607 -7.602 1.00 0.00 H new ATOM 0 HA ASN A 8 10.757 17.785 -4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.790 16.660 -5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.624 17.422 -7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.140 19.558 -4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.349 17.995 -3.911 1.00 0.00 H new ATOM 130 N ASN A 9 10.643 19.202 -8.000 1.00 0.00 N ATOM 131 CA ASN A 9 10.172 20.368 -8.771 1.00 0.00 C ATOM 132 C ASN A 9 8.660 20.249 -9.001 1.00 0.00 C ATOM 133 O ASN A 9 8.218 19.779 -10.047 1.00 0.00 O ATOM 134 CB ASN A 9 10.933 20.478 -10.119 1.00 0.00 C ATOM 135 CG ASN A 9 12.427 20.740 -9.951 1.00 0.00 C ATOM 136 OD1 ASN A 9 13.228 19.810 -9.860 1.00 0.00 O ATOM 137 ND2 ASN A 9 12.812 22.010 -9.904 1.00 0.00 N ATOM 0 H ASN A 9 11.189 18.542 -8.553 1.00 0.00 H new ATOM 0 HA ASN A 9 10.373 21.278 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.794 19.555 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.495 21.282 -10.711 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.799 22.240 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.121 22.756 -9.983 1.00 0.00 H new ATOM 144 N GLU A 10 7.894 20.651 -7.978 1.00 0.00 N ATOM 145 CA GLU A 10 6.437 20.478 -7.914 1.00 0.00 C ATOM 146 C GLU A 10 5.737 21.199 -9.074 1.00 0.00 C ATOM 147 O GLU A 10 4.811 20.653 -9.664 1.00 0.00 O ATOM 148 CB GLU A 10 5.943 20.999 -6.552 1.00 0.00 C ATOM 149 CG GLU A 10 4.443 20.823 -6.276 1.00 0.00 C ATOM 150 CD GLU A 10 4.071 21.228 -4.844 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.095 22.438 -4.532 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.781 20.342 -4.016 1.00 0.00 O ATOM 0 H GLU A 10 8.278 21.115 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 10 6.191 19.421 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.500 20.491 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.185 22.059 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.871 21.424 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.163 19.783 -6.443 1.00 0.00 H new ATOM 159 N GLU A 11 6.253 22.396 -9.411 1.00 0.00 N ATOM 160 CA GLU A 11 5.749 23.257 -10.506 1.00 0.00 C ATOM 161 C GLU A 11 5.625 22.483 -11.836 1.00 0.00 C ATOM 162 O GLU A 11 4.650 22.661 -12.565 1.00 0.00 O ATOM 163 CB GLU A 11 6.683 24.493 -10.676 1.00 0.00 C ATOM 164 CG GLU A 11 6.518 25.595 -9.600 1.00 0.00 C ATOM 165 CD GLU A 11 6.674 25.117 -8.135 1.00 0.00 C ATOM 166 OE1 GLU A 11 7.767 24.625 -7.769 1.00 0.00 O ATOM 167 OE2 GLU A 11 5.698 25.199 -7.353 1.00 0.00 O ATOM 0 H GLU A 11 7.049 22.803 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 11 4.748 23.594 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.718 24.151 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.501 24.934 -11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.252 26.378 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.533 26.047 -9.715 1.00 0.00 H new ATOM 174 N LYS A 12 6.618 21.618 -12.107 1.00 0.00 N ATOM 175 CA LYS A 12 6.625 20.698 -13.277 1.00 0.00 C ATOM 176 C LYS A 12 5.350 19.829 -13.325 1.00 0.00 C ATOM 177 O LYS A 12 4.656 19.752 -14.357 1.00 0.00 O ATOM 178 CB LYS A 12 7.871 19.766 -13.212 1.00 0.00 C ATOM 179 CG LYS A 12 9.231 20.463 -13.457 1.00 0.00 C ATOM 180 CD LYS A 12 9.374 20.963 -14.911 1.00 0.00 C ATOM 181 CE LYS A 12 9.317 19.818 -15.942 1.00 0.00 C ATOM 182 NZ LYS A 12 9.272 20.316 -17.334 1.00 0.00 N ATOM 0 H LYS A 12 7.448 21.531 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 12 6.660 21.312 -14.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.897 19.289 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.750 18.973 -13.950 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.335 21.305 -12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.040 19.768 -13.232 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.580 21.679 -15.125 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.320 21.495 -15.017 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.189 19.176 -15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.438 19.203 -15.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.115 19.519 -17.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.495 21.001 -17.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.174 20.779 -17.566 1.00 0.00 H new ATOM 196 N LEU A 13 5.058 19.196 -12.182 1.00 0.00 N ATOM 197 CA LEU A 13 3.935 18.261 -12.043 1.00 0.00 C ATOM 198 C LEU A 13 2.589 18.989 -12.118 1.00 0.00 C ATOM 199 O LEU A 13 1.623 18.466 -12.684 1.00 0.00 O ATOM 200 CB LEU A 13 4.055 17.457 -10.731 1.00 0.00 C ATOM 201 CG LEU A 13 5.289 16.492 -10.638 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.545 17.181 -10.077 1.00 0.00 C ATOM 203 CD2 LEU A 13 4.967 15.212 -9.860 1.00 0.00 C ATOM 0 H LEU A 13 5.596 19.319 -11.324 1.00 0.00 H new ATOM 0 HA LEU A 13 3.977 17.562 -12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.102 18.159 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.146 16.869 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 13 5.516 16.205 -11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.365 16.465 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.822 18.014 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.338 17.554 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.852 14.576 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.662 15.470 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.157 14.678 -10.357 1.00 0.00 H new ATOM 215 N VAL A 14 2.557 20.201 -11.560 1.00 0.00 N ATOM 216 CA VAL A 14 1.375 21.068 -11.583 1.00 0.00 C ATOM 217 C VAL A 14 1.016 21.439 -13.029 1.00 0.00 C ATOM 218 O VAL A 14 -0.134 21.310 -13.423 1.00 0.00 O ATOM 219 CB VAL A 14 1.609 22.361 -10.725 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.385 23.310 -10.750 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.981 21.978 -9.279 1.00 0.00 C ATOM 0 H VAL A 14 3.355 20.612 -11.076 1.00 0.00 H new ATOM 0 HA VAL A 14 0.541 20.520 -11.145 1.00 0.00 H new ATOM 0 HB VAL A 14 2.439 22.908 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.595 24.190 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.184 23.617 -11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.486 22.791 -10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.141 22.883 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.171 21.397 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.894 21.382 -9.284 1.00 0.00 H new ATOM 231 N LYS A 15 2.038 21.847 -13.808 1.00 0.00 N ATOM 232 CA LYS A 15 1.885 22.231 -15.226 1.00 0.00 C ATOM 233 C LYS A 15 1.373 21.064 -16.089 1.00 0.00 C ATOM 234 O LYS A 15 0.502 21.251 -16.945 1.00 0.00 O ATOM 235 CB LYS A 15 3.227 22.748 -15.792 1.00 0.00 C ATOM 236 CG LYS A 15 3.702 24.100 -15.218 1.00 0.00 C ATOM 237 CD LYS A 15 5.042 24.564 -15.841 1.00 0.00 C ATOM 238 CE LYS A 15 4.959 24.757 -17.370 1.00 0.00 C ATOM 239 NZ LYS A 15 6.280 25.058 -17.969 1.00 0.00 N ATOM 0 H LYS A 15 2.997 21.920 -13.469 1.00 0.00 H new ATOM 0 HA LYS A 15 1.141 23.027 -15.265 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.996 22.000 -15.602 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.135 22.842 -16.874 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.939 24.857 -15.398 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.817 24.013 -14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.347 25.502 -15.378 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.816 23.830 -15.614 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.552 23.855 -17.827 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.267 25.568 -17.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.176 25.180 -18.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.658 25.933 -17.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.935 24.273 -17.778 1.00 0.00 H new ATOM 253 N LYS A 16 1.923 19.862 -15.855 1.00 0.00 N ATOM 254 CA LYS A 16 1.500 18.642 -16.574 1.00 0.00 C ATOM 255 C LYS A 16 0.074 18.234 -16.159 1.00 0.00 C ATOM 256 O LYS A 16 -0.667 17.654 -16.948 1.00 0.00 O ATOM 257 CB LYS A 16 2.500 17.502 -16.309 1.00 0.00 C ATOM 258 CG LYS A 16 2.258 16.189 -17.099 1.00 0.00 C ATOM 259 CD LYS A 16 2.397 16.361 -18.625 1.00 0.00 C ATOM 260 CE LYS A 16 2.162 15.050 -19.391 1.00 0.00 C ATOM 261 NZ LYS A 16 2.281 15.240 -20.856 1.00 0.00 N ATOM 0 H LYS A 16 2.664 19.705 -15.172 1.00 0.00 H new ATOM 0 HA LYS A 16 1.489 18.849 -17.644 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.502 17.863 -16.541 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.483 17.270 -15.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.966 15.433 -16.760 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.260 15.815 -16.872 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.685 17.111 -18.969 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.393 16.738 -18.855 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.883 14.302 -19.062 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.171 14.663 -19.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.116 14.333 -21.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.576 15.935 -21.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.235 15.585 -21.085 1.00 0.00 H new ATOM 275 N ALA A 17 -0.302 18.566 -14.916 1.00 0.00 N ATOM 276 CA ALA A 17 -1.667 18.356 -14.407 1.00 0.00 C ATOM 277 C ALA A 17 -2.632 19.404 -14.995 1.00 0.00 C ATOM 278 O ALA A 17 -3.819 19.132 -15.139 1.00 0.00 O ATOM 279 CB ALA A 17 -1.680 18.391 -12.876 1.00 0.00 C ATOM 0 H ALA A 17 0.330 18.987 -14.235 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.008 17.371 -14.724 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.697 18.234 -12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.033 17.604 -12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.319 19.360 -12.531 1.00 0.00 H new ATOM 285 N LEU A 18 -2.101 20.601 -15.340 1.00 0.00 N ATOM 286 CA LEU A 18 -2.870 21.644 -16.055 1.00 0.00 C ATOM 287 C LEU A 18 -3.183 21.161 -17.477 1.00 0.00 C ATOM 288 O LEU A 18 -4.268 21.418 -18.004 1.00 0.00 O ATOM 289 CB LEU A 18 -2.106 23.002 -16.125 1.00 0.00 C ATOM 290 CG LEU A 18 -1.702 23.655 -14.761 1.00 0.00 C ATOM 291 CD1 LEU A 18 -0.935 24.982 -14.962 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.917 23.844 -13.842 1.00 0.00 C ATOM 0 H LEU A 18 -1.139 20.868 -15.133 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.790 21.814 -15.496 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.200 22.852 -16.712 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.726 23.713 -16.672 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.022 22.962 -14.266 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.674 25.402 -13.991 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.026 24.794 -15.533 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.564 25.687 -15.505 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.597 24.300 -12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.645 24.491 -14.330 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.373 22.875 -13.637 1.00 0.00 H new ATOM 304 N GLU A 19 -2.201 20.455 -18.082 1.00 0.00 N ATOM 305 CA GLU A 19 -2.347 19.865 -19.422 1.00 0.00 C ATOM 306 C GLU A 19 -3.388 18.734 -19.408 1.00 0.00 C ATOM 307 O GLU A 19 -4.425 18.854 -20.045 1.00 0.00 O ATOM 308 CB GLU A 19 -0.984 19.340 -19.945 1.00 0.00 C ATOM 309 CG GLU A 19 0.087 20.434 -20.112 1.00 0.00 C ATOM 310 CD GLU A 19 1.433 19.892 -20.618 1.00 0.00 C ATOM 311 OE1 GLU A 19 2.268 19.478 -19.792 1.00 0.00 O ATOM 312 OE2 GLU A 19 1.660 19.871 -21.845 1.00 0.00 O ATOM 0 H GLU A 19 -1.292 20.282 -17.654 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.696 20.646 -20.098 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.610 18.582 -19.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.140 18.849 -20.906 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.279 21.188 -20.809 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.240 20.932 -19.155 1.00 0.00 H new ATOM 319 N ILE A 20 -3.121 17.676 -18.625 1.00 0.00 N ATOM 320 CA ILE A 20 -3.956 16.460 -18.586 1.00 0.00 C ATOM 321 C ILE A 20 -5.343 16.768 -17.997 1.00 0.00 C ATOM 322 O ILE A 20 -6.354 16.432 -18.605 1.00 0.00 O ATOM 323 CB ILE A 20 -3.251 15.297 -17.786 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.831 14.986 -18.374 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.122 14.012 -17.757 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.818 14.520 -19.819 1.00 0.00 C ATOM 0 H ILE A 20 -2.317 17.638 -17.998 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.088 16.118 -19.613 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.129 15.641 -16.759 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.217 15.883 -18.293 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.360 14.220 -17.758 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.603 13.234 -17.197 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.076 14.230 -17.277 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.299 13.669 -18.776 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.791 14.331 -20.131 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.399 13.603 -19.911 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.254 15.291 -20.454 1.00 0.00 H new ATOM 338 N GLY A 21 -5.371 17.444 -16.840 1.00 0.00 N ATOM 339 CA GLY A 21 -6.626 17.848 -16.193 1.00 0.00 C ATOM 340 C GLY A 21 -7.413 18.868 -17.016 1.00 0.00 C ATOM 341 O GLY A 21 -8.647 18.831 -17.033 1.00 0.00 O ATOM 0 H GLY A 21 -4.533 17.724 -16.331 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.245 16.966 -16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.405 18.271 -15.213 1.00 0.00 H new ATOM 345 N GLY A 22 -6.684 19.771 -17.710 1.00 0.00 N ATOM 346 CA GLY A 22 -7.299 20.781 -18.578 1.00 0.00 C ATOM 347 C GLY A 22 -7.988 20.181 -19.798 1.00 0.00 C ATOM 348 O GLY A 22 -9.138 20.516 -20.089 1.00 0.00 O ATOM 0 H GLY A 22 -5.665 19.814 -17.680 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.027 21.352 -18.002 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.533 21.482 -18.909 1.00 0.00 H new ATOM 352 N LYS A 23 -7.286 19.262 -20.492 1.00 0.00 N ATOM 353 CA LYS A 23 -7.797 18.630 -21.727 1.00 0.00 C ATOM 354 C LYS A 23 -8.881 17.593 -21.405 1.00 0.00 C ATOM 355 O LYS A 23 -9.791 17.396 -22.201 1.00 0.00 O ATOM 356 CB LYS A 23 -6.645 18.011 -22.584 1.00 0.00 C ATOM 357 CG LYS A 23 -5.815 16.867 -21.929 1.00 0.00 C ATOM 358 CD LYS A 23 -6.379 15.448 -22.156 1.00 0.00 C ATOM 359 CE LYS A 23 -5.550 14.369 -21.440 1.00 0.00 C ATOM 360 NZ LYS A 23 -6.055 13.008 -21.710 1.00 0.00 N ATOM 0 H LYS A 23 -6.358 18.939 -20.216 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.254 19.413 -22.331 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.078 17.629 -23.509 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.959 18.812 -22.860 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.798 16.905 -22.319 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.752 17.051 -20.856 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.409 15.408 -21.800 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.402 15.235 -23.225 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.511 14.439 -21.761 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.566 14.554 -20.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.466 12.313 -21.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.039 12.931 -21.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.016 12.820 -22.732 1.00 0.00 H new ATOM 374 N MET A 24 -8.770 16.932 -20.232 1.00 0.00 N ATOM 375 CA MET A 24 -9.799 15.983 -19.764 1.00 0.00 C ATOM 376 C MET A 24 -11.101 16.729 -19.473 1.00 0.00 C ATOM 377 O MET A 24 -12.147 16.330 -19.964 1.00 0.00 O ATOM 378 CB MET A 24 -9.351 15.168 -18.520 1.00 0.00 C ATOM 379 CG MET A 24 -8.372 14.019 -18.811 1.00 0.00 C ATOM 380 SD MET A 24 -8.290 12.794 -17.477 1.00 0.00 S ATOM 381 CE MET A 24 -8.160 13.815 -16.009 1.00 0.00 C ATOM 0 H MET A 24 -7.980 17.039 -19.595 1.00 0.00 H new ATOM 0 HA MET A 24 -9.958 15.262 -20.566 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.886 15.849 -17.807 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.237 14.756 -18.036 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.670 13.522 -19.734 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.377 14.432 -18.978 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.822 13.206 -15.171 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.444 14.618 -16.186 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.135 14.243 -15.776 1.00 0.00 H new ATOM 391 N ALA A 25 -11.005 17.839 -18.710 1.00 0.00 N ATOM 392 CA ALA A 25 -12.156 18.717 -18.401 1.00 0.00 C ATOM 393 C ALA A 25 -12.818 19.214 -19.685 1.00 0.00 C ATOM 394 O ALA A 25 -14.043 19.150 -19.834 1.00 0.00 O ATOM 395 CB ALA A 25 -11.712 19.900 -17.529 1.00 0.00 C ATOM 0 H ALA A 25 -10.129 18.152 -18.291 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.890 18.135 -17.844 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.571 20.535 -17.312 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.292 19.526 -16.595 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.957 20.480 -18.060 1.00 0.00 H new ATOM 401 N LYS A 26 -11.967 19.655 -20.618 1.00 0.00 N ATOM 402 CA LYS A 26 -12.373 20.148 -21.935 1.00 0.00 C ATOM 403 C LYS A 26 -13.260 19.106 -22.656 1.00 0.00 C ATOM 404 O LYS A 26 -14.422 19.398 -22.980 1.00 0.00 O ATOM 405 CB LYS A 26 -11.103 20.505 -22.753 1.00 0.00 C ATOM 406 CG LYS A 26 -11.356 21.215 -24.099 1.00 0.00 C ATOM 407 CD LYS A 26 -10.045 21.639 -24.813 1.00 0.00 C ATOM 408 CE LYS A 26 -9.202 22.624 -23.983 1.00 0.00 C ATOM 409 NZ LYS A 26 -7.972 23.050 -24.697 1.00 0.00 N ATOM 0 H LYS A 26 -10.957 19.679 -20.474 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.976 21.050 -21.827 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.465 21.142 -22.141 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.546 19.588 -22.945 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.922 20.552 -24.753 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.973 22.097 -23.928 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.450 20.751 -25.027 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.291 22.097 -25.771 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.803 23.501 -23.743 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.928 22.157 -23.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.436 23.712 -24.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.384 22.217 -24.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.233 23.519 -25.588 1.00 0.00 H new ATOM 423 N MET A 27 -12.725 17.868 -22.775 1.00 0.00 N ATOM 424 CA MET A 27 -13.421 16.717 -23.412 1.00 0.00 C ATOM 425 C MET A 27 -14.708 16.312 -22.659 1.00 0.00 C ATOM 426 O MET A 27 -15.684 15.891 -23.288 1.00 0.00 O ATOM 427 CB MET A 27 -12.475 15.491 -23.504 1.00 0.00 C ATOM 428 CG MET A 27 -11.268 15.677 -24.437 1.00 0.00 C ATOM 429 SD MET A 27 -10.251 14.190 -24.597 1.00 0.00 S ATOM 430 CE MET A 27 -9.779 13.869 -22.899 1.00 0.00 C ATOM 0 H MET A 27 -11.793 17.635 -22.431 1.00 0.00 H new ATOM 0 HA MET A 27 -13.707 17.043 -24.412 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.111 15.255 -22.504 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.051 14.630 -23.845 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.623 15.974 -25.424 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.650 16.493 -24.062 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.001 13.106 -22.876 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.402 14.786 -22.447 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.647 13.519 -22.340 1.00 0.00 H new ATOM 440 N GLN A 28 -14.694 16.438 -21.315 1.00 0.00 N ATOM 441 CA GLN A 28 -15.870 16.162 -20.451 1.00 0.00 C ATOM 442 C GLN A 28 -16.995 17.169 -20.751 1.00 0.00 C ATOM 443 O GLN A 28 -18.180 16.868 -20.577 1.00 0.00 O ATOM 444 CB GLN A 28 -15.468 16.206 -18.941 1.00 0.00 C ATOM 445 CG GLN A 28 -14.551 15.053 -18.475 1.00 0.00 C ATOM 446 CD GLN A 28 -15.217 13.681 -18.548 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.140 12.981 -19.560 1.00 0.00 O ATOM 448 NE2 GLN A 28 -15.890 13.292 -17.480 1.00 0.00 N ATOM 0 H GLN A 28 -13.868 16.734 -20.795 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.237 15.159 -20.670 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.966 17.153 -18.742 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.376 16.194 -18.338 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.650 15.044 -19.089 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.236 15.241 -17.449 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.935 13.894 -16.658 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.365 12.389 -17.477 1.00 0.00 H new ATOM 457 N GLY A 29 -16.593 18.367 -21.205 1.00 0.00 N ATOM 458 CA GLY A 29 -17.519 19.399 -21.672 1.00 0.00 C ATOM 459 C GLY A 29 -17.330 20.684 -20.909 1.00 0.00 C ATOM 460 O GLY A 29 -18.299 21.306 -20.469 1.00 0.00 O ATOM 0 H GLY A 29 -15.612 18.643 -21.257 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.362 19.578 -22.736 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.545 19.051 -21.555 1.00 0.00 H new ATOM 464 N PHE A 30 -16.057 21.083 -20.740 1.00 0.00 N ATOM 465 CA PHE A 30 -15.686 22.280 -19.944 1.00 0.00 C ATOM 466 C PHE A 30 -14.612 23.104 -20.665 1.00 0.00 C ATOM 467 O PHE A 30 -14.230 22.807 -21.801 1.00 0.00 O ATOM 468 CB PHE A 30 -15.160 21.880 -18.527 1.00 0.00 C ATOM 469 CG PHE A 30 -16.170 21.178 -17.617 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.147 21.912 -16.944 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.146 19.793 -17.438 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.053 21.285 -16.110 1.00 0.00 C ATOM 473 CE2 PHE A 30 -17.049 19.169 -16.604 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.006 19.915 -15.942 1.00 0.00 C ATOM 0 H PHE A 30 -15.259 20.594 -21.145 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.588 22.882 -19.829 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.296 21.227 -18.652 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.809 22.780 -18.023 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.196 22.983 -17.076 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.409 19.202 -17.961 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.799 21.867 -15.589 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.009 18.098 -16.468 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.717 19.426 -15.293 1.00 0.00 H new ATOM 484 N ASP A 31 -14.175 24.173 -19.984 1.00 0.00 N ATOM 485 CA ASP A 31 -12.970 24.927 -20.322 1.00 0.00 C ATOM 486 C ASP A 31 -12.499 25.630 -19.043 1.00 0.00 C ATOM 487 O ASP A 31 -13.210 26.490 -18.511 1.00 0.00 O ATOM 488 CB ASP A 31 -13.227 25.951 -21.458 1.00 0.00 C ATOM 489 CG ASP A 31 -11.921 26.559 -21.994 1.00 0.00 C ATOM 490 OD1 ASP A 31 -11.166 25.829 -22.679 1.00 0.00 O ATOM 491 OD2 ASP A 31 -11.628 27.743 -21.719 1.00 0.00 O ATOM 0 H ASP A 31 -14.663 24.541 -19.167 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.202 24.250 -20.696 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.760 25.461 -22.273 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.872 26.748 -21.088 1.00 0.00 H new ATOM 496 N LEU A 32 -11.331 25.227 -18.531 1.00 0.00 N ATOM 497 CA LEU A 32 -10.779 25.764 -17.280 1.00 0.00 C ATOM 498 C LEU A 32 -10.137 27.146 -17.546 1.00 0.00 C ATOM 499 O LEU A 32 -9.260 27.227 -18.420 1.00 0.00 O ATOM 500 CB LEU A 32 -9.769 24.750 -16.682 1.00 0.00 C ATOM 501 CG LEU A 32 -10.368 23.327 -16.390 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.303 22.367 -15.835 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.589 23.409 -15.434 1.00 0.00 C ATOM 0 H LEU A 32 -10.741 24.520 -18.971 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.572 25.909 -16.547 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.931 24.643 -17.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.369 25.159 -15.754 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.714 22.925 -17.342 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.754 21.393 -15.645 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.497 22.258 -16.561 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.901 22.768 -14.905 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.978 22.407 -15.254 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.281 23.854 -14.488 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.366 24.024 -15.888 1.00 0.00 H new ATOM 515 N PRO A 33 -10.579 28.229 -16.794 1.00 0.00 N ATOM 516 CA PRO A 33 -10.230 29.654 -17.070 1.00 0.00 C ATOM 517 C PRO A 33 -8.755 29.899 -17.439 1.00 0.00 C ATOM 518 O PRO A 33 -7.867 29.629 -16.640 1.00 0.00 O ATOM 519 CB PRO A 33 -10.587 30.355 -15.737 1.00 0.00 C ATOM 520 CG PRO A 33 -11.751 29.571 -15.228 1.00 0.00 C ATOM 521 CD PRO A 33 -11.461 28.131 -15.595 1.00 0.00 C ATOM 0 HA PRO A 33 -10.765 30.025 -17.944 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.752 30.333 -15.037 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.846 31.402 -15.892 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.861 29.687 -14.150 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.682 29.912 -15.681 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.967 27.604 -14.779 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.377 27.585 -15.818 1.00 0.00 H new ATOM 529 N GLN A 34 -8.537 30.421 -18.660 1.00 0.00 N ATOM 530 CA GLN A 34 -7.208 30.728 -19.231 1.00 0.00 C ATOM 531 C GLN A 34 -6.470 31.819 -18.413 1.00 0.00 C ATOM 532 O GLN A 34 -5.245 31.965 -18.517 1.00 0.00 O ATOM 533 CB GLN A 34 -7.378 31.179 -20.711 1.00 0.00 C ATOM 534 CG GLN A 34 -6.079 31.235 -21.537 1.00 0.00 C ATOM 535 CD GLN A 34 -5.470 29.850 -21.799 1.00 0.00 C ATOM 536 OE1 GLN A 34 -4.642 29.356 -21.031 1.00 0.00 O ATOM 537 NE2 GLN A 34 -5.890 29.204 -22.881 1.00 0.00 N ATOM 0 H GLN A 34 -9.301 30.648 -19.297 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.597 29.826 -19.188 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.073 30.498 -21.203 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.838 32.167 -20.722 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.283 31.722 -22.491 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.349 31.853 -21.014 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.576 29.637 -23.499 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.526 28.275 -23.094 1.00 0.00 H new ATOM 546 N SER A 35 -7.259 32.579 -17.623 1.00 0.00 N ATOM 547 CA SER A 35 -6.810 33.571 -16.606 1.00 0.00 C ATOM 548 C SER A 35 -5.509 33.129 -15.841 1.00 0.00 C ATOM 549 O SER A 35 -5.310 31.932 -15.681 1.00 0.00 O ATOM 550 CB SER A 35 -7.994 33.775 -15.622 1.00 0.00 C ATOM 551 OG SER A 35 -9.192 34.092 -16.310 1.00 0.00 O ATOM 0 H SER A 35 -8.276 32.519 -17.675 1.00 0.00 H new ATOM 0 HA SER A 35 -6.540 34.502 -17.105 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.140 32.869 -15.034 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.753 34.575 -14.922 1.00 0.00 H new ATOM 0 HG SER A 35 -9.918 34.213 -15.663 1.00 0.00 H new ATOM 557 N PRO A 36 -4.682 34.102 -15.280 1.00 0.00 N ATOM 558 CA PRO A 36 -3.227 33.946 -14.961 1.00 0.00 C ATOM 559 C PRO A 36 -2.685 32.482 -14.808 1.00 0.00 C ATOM 560 O PRO A 36 -2.484 31.797 -15.816 1.00 0.00 O ATOM 561 CB PRO A 36 -3.073 34.781 -13.665 1.00 0.00 C ATOM 562 CG PRO A 36 -4.189 35.799 -13.686 1.00 0.00 C ATOM 563 CD PRO A 36 -5.125 35.447 -14.841 1.00 0.00 C ATOM 0 HA PRO A 36 -2.616 34.283 -15.798 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.142 34.146 -12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.100 35.271 -13.630 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.731 35.791 -12.740 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.786 36.804 -13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.166 35.437 -14.519 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.049 36.174 -15.650 1.00 0.00 H new ATOM 571 N GLN A 37 -2.457 31.999 -13.557 1.00 0.00 N ATOM 572 CA GLN A 37 -1.882 30.649 -13.304 1.00 0.00 C ATOM 573 C GLN A 37 -2.559 29.963 -12.079 1.00 0.00 C ATOM 574 O GLN A 37 -3.125 28.891 -12.264 1.00 0.00 O ATOM 575 CB GLN A 37 -0.325 30.676 -13.127 1.00 0.00 C ATOM 576 CG GLN A 37 0.460 31.305 -14.299 1.00 0.00 C ATOM 577 CD GLN A 37 1.981 31.219 -14.143 1.00 0.00 C ATOM 578 OE1 GLN A 37 2.500 31.162 -13.031 1.00 0.00 O ATOM 579 NE2 GLN A 37 2.703 31.247 -15.247 1.00 0.00 N ATOM 0 H GLN A 37 -2.663 32.525 -12.708 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.093 30.058 -14.195 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.089 31.226 -12.216 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.026 29.654 -12.983 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.171 30.809 -15.225 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.173 32.352 -14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.243 31.294 -16.156 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.721 31.221 -15.191 1.00 0.00 H new ATOM 588 N PRO A 38 -2.550 30.557 -10.811 1.00 0.00 N ATOM 589 CA PRO A 38 -3.086 29.859 -9.593 1.00 0.00 C ATOM 590 C PRO A 38 -4.595 29.559 -9.692 1.00 0.00 C ATOM 591 O PRO A 38 -5.100 28.627 -9.060 1.00 0.00 O ATOM 592 CB PRO A 38 -2.780 30.845 -8.436 1.00 0.00 C ATOM 593 CG PRO A 38 -2.686 32.184 -9.103 1.00 0.00 C ATOM 594 CD PRO A 38 -2.047 31.922 -10.449 1.00 0.00 C ATOM 0 HA PRO A 38 -2.627 28.880 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.568 30.831 -7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.850 30.587 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.672 32.635 -9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.086 32.876 -8.512 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.343 32.668 -11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.959 31.947 -10.389 1.00 0.00 H new ATOM 602 N VAL A 39 -5.285 30.362 -10.508 1.00 0.00 N ATOM 603 CA VAL A 39 -6.719 30.205 -10.799 1.00 0.00 C ATOM 604 C VAL A 39 -6.971 28.954 -11.669 1.00 0.00 C ATOM 605 O VAL A 39 -7.998 28.288 -11.518 1.00 0.00 O ATOM 606 CB VAL A 39 -7.292 31.497 -11.499 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.291 32.709 -10.531 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.502 31.832 -12.779 1.00 0.00 C ATOM 0 H VAL A 39 -4.860 31.152 -10.993 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.243 30.070 -9.853 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.324 31.286 -11.778 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.692 33.584 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.910 32.482 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.271 32.914 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.919 32.727 -13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.457 32.008 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.571 30.998 -13.478 1.00 0.00 H new ATOM 618 N ARG A 40 -6.006 28.641 -12.563 1.00 0.00 N ATOM 619 CA ARG A 40 -6.061 27.437 -13.421 1.00 0.00 C ATOM 620 C ARG A 40 -5.719 26.199 -12.588 1.00 0.00 C ATOM 621 O ARG A 40 -6.347 25.162 -12.734 1.00 0.00 O ATOM 622 CB ARG A 40 -5.077 27.528 -14.623 1.00 0.00 C ATOM 623 CG ARG A 40 -5.074 28.880 -15.369 1.00 0.00 C ATOM 624 CD ARG A 40 -4.613 28.762 -16.833 1.00 0.00 C ATOM 625 NE ARG A 40 -5.619 28.048 -17.646 1.00 0.00 N ATOM 626 CZ ARG A 40 -5.371 27.245 -18.685 1.00 0.00 C ATOM 627 NH1 ARG A 40 -4.129 26.952 -19.042 1.00 0.00 N ATOM 628 NH2 ARG A 40 -6.379 26.713 -19.348 1.00 0.00 N ATOM 0 H ARG A 40 -5.173 29.212 -12.709 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.073 27.365 -13.819 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.068 27.328 -14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.323 26.739 -15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.078 29.304 -15.344 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.420 29.576 -14.844 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.444 29.756 -17.247 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.661 28.233 -16.877 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.597 28.181 -17.389 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.343 27.341 -18.521 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.959 26.337 -19.838 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.338 26.916 -19.066 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.200 26.099 -20.142 1.00 0.00 H new ATOM 642 N VAL A 41 -4.700 26.353 -11.720 1.00 0.00 N ATOM 643 CA VAL A 41 -4.229 25.310 -10.779 1.00 0.00 C ATOM 644 C VAL A 41 -5.397 24.819 -9.894 1.00 0.00 C ATOM 645 O VAL A 41 -5.651 23.609 -9.762 1.00 0.00 O ATOM 646 CB VAL A 41 -3.031 25.882 -9.910 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.550 24.890 -8.828 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.850 26.304 -10.828 1.00 0.00 C ATOM 0 H VAL A 41 -4.169 27.221 -11.650 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.862 24.449 -11.338 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.410 26.759 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.730 25.335 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.373 24.663 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.207 23.971 -9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.036 26.694 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.499 25.439 -11.390 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.186 27.075 -11.521 1.00 0.00 H new ATOM 658 N LYS A 42 -6.143 25.796 -9.368 1.00 0.00 N ATOM 659 CA LYS A 42 -7.293 25.568 -8.480 1.00 0.00 C ATOM 660 C LYS A 42 -8.493 25.008 -9.292 1.00 0.00 C ATOM 661 O LYS A 42 -9.229 24.146 -8.797 1.00 0.00 O ATOM 662 CB LYS A 42 -7.624 26.911 -7.746 1.00 0.00 C ATOM 663 CG LYS A 42 -8.430 26.806 -6.417 1.00 0.00 C ATOM 664 CD LYS A 42 -9.933 26.473 -6.594 1.00 0.00 C ATOM 665 CE LYS A 42 -10.653 27.430 -7.569 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.556 28.852 -7.163 1.00 0.00 N ATOM 0 H LYS A 42 -5.964 26.784 -9.549 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.061 24.818 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.685 27.422 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.184 27.545 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.974 26.039 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.342 27.750 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.032 25.450 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.426 26.515 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.227 27.313 -8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.704 27.148 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.086 29.442 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.956 28.969 -6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.558 29.144 -7.158 1.00 0.00 H new ATOM 680 N ALA A 43 -8.683 25.508 -10.535 1.00 0.00 N ATOM 681 CA ALA A 43 -9.737 25.007 -11.461 1.00 0.00 C ATOM 682 C ALA A 43 -9.561 23.502 -11.787 1.00 0.00 C ATOM 683 O ALA A 43 -10.530 22.723 -11.738 1.00 0.00 O ATOM 684 CB ALA A 43 -9.746 25.836 -12.756 1.00 0.00 C ATOM 0 H ALA A 43 -8.119 26.263 -10.926 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.695 25.119 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.521 25.459 -13.424 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.948 26.880 -12.518 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.775 25.757 -13.245 1.00 0.00 H new ATOM 690 N VAL A 44 -8.306 23.116 -12.097 1.00 0.00 N ATOM 691 CA VAL A 44 -7.925 21.718 -12.390 1.00 0.00 C ATOM 692 C VAL A 44 -8.188 20.833 -11.168 1.00 0.00 C ATOM 693 O VAL A 44 -8.756 19.752 -11.300 1.00 0.00 O ATOM 694 CB VAL A 44 -6.413 21.604 -12.835 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.954 20.130 -12.969 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.176 22.357 -14.163 1.00 0.00 C ATOM 0 H VAL A 44 -7.524 23.769 -12.151 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.539 21.374 -13.222 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.814 22.066 -12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.909 20.101 -13.277 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.064 19.626 -12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.566 19.625 -13.716 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.129 22.266 -14.451 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.806 21.927 -14.942 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.426 23.410 -14.034 1.00 0.00 H new ATOM 706 N TYR A 45 -7.792 21.339 -9.986 1.00 0.00 N ATOM 707 CA TYR A 45 -8.045 20.684 -8.692 1.00 0.00 C ATOM 708 C TYR A 45 -9.539 20.337 -8.508 1.00 0.00 C ATOM 709 O TYR A 45 -9.863 19.183 -8.240 1.00 0.00 O ATOM 710 CB TYR A 45 -7.544 21.596 -7.549 1.00 0.00 C ATOM 711 CG TYR A 45 -8.042 21.235 -6.142 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.417 20.251 -5.367 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.159 21.881 -5.599 1.00 0.00 C ATOM 714 CE1 TYR A 45 -7.891 19.936 -4.108 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.630 21.562 -4.357 1.00 0.00 C ATOM 716 CZ TYR A 45 -8.998 20.594 -3.615 1.00 0.00 C ATOM 717 OH TYR A 45 -9.494 20.280 -2.380 1.00 0.00 O ATOM 0 H TYR A 45 -7.284 22.220 -9.903 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.497 19.742 -8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.454 21.577 -7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.844 22.621 -7.769 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.554 19.732 -5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.658 22.647 -6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.398 19.180 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.497 22.069 -3.960 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.275 20.840 -2.189 1.00 0.00 H new ATOM 727 N LEU A 46 -10.424 21.350 -8.667 1.00 0.00 N ATOM 728 CA LEU A 46 -11.889 21.189 -8.477 1.00 0.00 C ATOM 729 C LEU A 46 -12.451 20.123 -9.418 1.00 0.00 C ATOM 730 O LEU A 46 -13.270 19.290 -9.005 1.00 0.00 O ATOM 731 CB LEU A 46 -12.646 22.524 -8.702 1.00 0.00 C ATOM 732 CG LEU A 46 -12.383 23.657 -7.664 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.248 24.894 -7.980 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.611 23.169 -6.212 1.00 0.00 C ATOM 0 H LEU A 46 -10.147 22.296 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.040 20.873 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.386 22.901 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.715 22.312 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.334 23.944 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.050 25.674 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.004 25.264 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.302 24.620 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.418 23.987 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.642 22.833 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.934 22.342 -5.995 1.00 0.00 H new ATOM 746 N PHE A 47 -11.983 20.160 -10.678 1.00 0.00 N ATOM 747 CA PHE A 47 -12.329 19.160 -11.697 1.00 0.00 C ATOM 748 C PHE A 47 -11.931 17.736 -11.226 1.00 0.00 C ATOM 749 O PHE A 47 -12.749 16.814 -11.275 1.00 0.00 O ATOM 750 CB PHE A 47 -11.652 19.521 -13.060 1.00 0.00 C ATOM 751 CG PHE A 47 -11.579 18.353 -14.049 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.738 17.808 -14.604 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.360 17.774 -14.383 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.675 16.720 -15.450 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.300 16.687 -15.220 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.456 16.161 -15.762 1.00 0.00 C ATOM 0 H PHE A 47 -11.353 20.887 -11.017 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.409 19.167 -11.844 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.203 20.340 -13.522 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.642 19.884 -12.867 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.697 18.244 -14.368 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.447 18.185 -13.978 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.581 16.307 -15.867 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.345 16.242 -15.455 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.404 15.313 -16.429 1.00 0.00 H new ATOM 766 N LEU A 48 -10.681 17.588 -10.765 1.00 0.00 N ATOM 767 CA LEU A 48 -10.115 16.288 -10.362 1.00 0.00 C ATOM 768 C LEU A 48 -10.807 15.704 -9.106 1.00 0.00 C ATOM 769 O LEU A 48 -11.027 14.502 -9.042 1.00 0.00 O ATOM 770 CB LEU A 48 -8.589 16.405 -10.135 1.00 0.00 C ATOM 771 CG LEU A 48 -7.722 16.760 -11.385 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.233 16.857 -11.007 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.940 15.758 -12.539 1.00 0.00 C ATOM 0 H LEU A 48 -10.031 18.367 -10.660 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.301 15.593 -11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.415 17.164 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.231 15.459 -9.730 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.048 17.737 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.648 17.105 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.099 17.634 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.896 15.901 -10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.319 16.041 -13.389 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.667 14.756 -12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.989 15.768 -12.837 1.00 0.00 H new ATOM 785 N VAL A 49 -11.151 16.554 -8.121 1.00 0.00 N ATOM 786 CA VAL A 49 -11.845 16.108 -6.888 1.00 0.00 C ATOM 787 C VAL A 49 -13.270 15.646 -7.243 1.00 0.00 C ATOM 788 O VAL A 49 -13.717 14.590 -6.795 1.00 0.00 O ATOM 789 CB VAL A 49 -11.910 17.226 -5.775 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.624 16.712 -4.495 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.500 17.751 -5.428 1.00 0.00 C ATOM 0 H VAL A 49 -10.961 17.556 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.265 15.284 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.494 18.052 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.651 17.507 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.642 16.411 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.080 15.857 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.577 18.520 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.886 16.929 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.040 18.175 -6.320 1.00 0.00 H new ATOM 801 N ASP A 50 -13.941 16.440 -8.098 1.00 0.00 N ATOM 802 CA ASP A 50 -15.303 16.145 -8.597 1.00 0.00 C ATOM 803 C ASP A 50 -15.321 14.820 -9.394 1.00 0.00 C ATOM 804 O ASP A 50 -16.265 14.033 -9.295 1.00 0.00 O ATOM 805 CB ASP A 50 -15.797 17.324 -9.481 1.00 0.00 C ATOM 806 CG ASP A 50 -17.270 17.206 -9.929 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.171 17.597 -9.162 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.539 16.719 -11.047 1.00 0.00 O ATOM 0 H ASP A 50 -13.554 17.309 -8.466 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.975 16.030 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.671 18.255 -8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.164 17.390 -10.366 1.00 0.00 H new ATOM 813 N ALA A 51 -14.236 14.586 -10.152 1.00 0.00 N ATOM 814 CA ALA A 51 -14.052 13.384 -10.989 1.00 0.00 C ATOM 815 C ALA A 51 -13.373 12.240 -10.194 1.00 0.00 C ATOM 816 O ALA A 51 -12.974 11.228 -10.786 1.00 0.00 O ATOM 817 CB ALA A 51 -13.230 13.760 -12.238 1.00 0.00 C ATOM 0 H ALA A 51 -13.450 15.234 -10.202 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.029 13.015 -11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.090 12.877 -12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.760 14.524 -12.806 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.258 14.145 -11.931 1.00 0.00 H new ATOM 823 N LYS A 52 -13.209 12.436 -8.859 1.00 0.00 N ATOM 824 CA LYS A 52 -12.691 11.414 -7.904 1.00 0.00 C ATOM 825 C LYS A 52 -11.242 10.969 -8.208 1.00 0.00 C ATOM 826 O LYS A 52 -10.783 9.946 -7.696 1.00 0.00 O ATOM 827 CB LYS A 52 -13.662 10.188 -7.826 1.00 0.00 C ATOM 828 CG LYS A 52 -15.071 10.479 -7.226 1.00 0.00 C ATOM 829 CD LYS A 52 -15.113 10.504 -5.663 1.00 0.00 C ATOM 830 CE LYS A 52 -14.566 11.796 -5.028 1.00 0.00 C ATOM 831 NZ LYS A 52 -15.388 12.980 -5.365 1.00 0.00 N ATOM 0 H LYS A 52 -13.436 13.322 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.654 11.893 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.791 9.786 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.187 9.409 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.422 11.440 -7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.769 9.722 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.144 10.363 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.541 9.658 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.529 11.678 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.543 11.959 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.822 13.647 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.218 12.681 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.703 13.445 -4.489 1.00 0.00 H new ATOM 845 N GLN A 53 -10.530 11.780 -9.003 1.00 0.00 N ATOM 846 CA GLN A 53 -9.111 11.585 -9.340 1.00 0.00 C ATOM 847 C GLN A 53 -8.216 11.820 -8.109 1.00 0.00 C ATOM 848 O GLN A 53 -7.197 11.148 -7.936 1.00 0.00 O ATOM 849 CB GLN A 53 -8.720 12.558 -10.486 1.00 0.00 C ATOM 850 CG GLN A 53 -9.478 12.332 -11.814 1.00 0.00 C ATOM 851 CD GLN A 53 -9.149 10.995 -12.488 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.035 10.478 -12.372 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.108 10.427 -13.202 1.00 0.00 N ATOM 0 H GLN A 53 -10.933 12.609 -9.440 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.963 10.556 -9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.897 13.580 -10.152 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.650 12.465 -10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.550 12.379 -11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.240 13.144 -12.501 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.020 10.877 -13.281 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.935 9.539 -13.674 1.00 0.00 H new ATOM 862 N ILE A 54 -8.618 12.793 -7.262 1.00 0.00 N ATOM 863 CA ILE A 54 -7.936 13.108 -5.983 1.00 0.00 C ATOM 864 C ILE A 54 -8.963 13.322 -4.855 1.00 0.00 C ATOM 865 O ILE A 54 -10.177 13.393 -5.098 1.00 0.00 O ATOM 866 CB ILE A 54 -7.010 14.392 -6.084 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.803 15.603 -6.667 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.738 14.102 -6.897 1.00 0.00 C ATOM 869 CD1 ILE A 54 -7.015 16.896 -6.802 1.00 0.00 C ATOM 0 H ILE A 54 -9.428 13.386 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.303 12.250 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.692 14.659 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.185 15.326 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.668 15.789 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.125 15.002 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.172 13.304 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.013 13.794 -7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.658 17.673 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.656 17.207 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.165 16.737 -7.466 1.00 0.00 H new ATOM 881 N ALA A 55 -8.433 13.410 -3.625 1.00 0.00 N ATOM 882 CA ALA A 55 -9.186 13.756 -2.415 1.00 0.00 C ATOM 883 C ALA A 55 -9.200 15.293 -2.236 1.00 0.00 C ATOM 884 O ALA A 55 -8.317 15.978 -2.770 1.00 0.00 O ATOM 885 CB ALA A 55 -8.544 13.060 -1.193 1.00 0.00 C ATOM 0 H ALA A 55 -7.444 13.238 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.216 13.412 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.103 13.316 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.564 11.980 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.511 13.392 -1.086 1.00 0.00 H new ATOM 891 N PRO A 56 -10.205 15.874 -1.510 1.00 0.00 N ATOM 892 CA PRO A 56 -10.207 17.313 -1.190 1.00 0.00 C ATOM 893 C PRO A 56 -9.216 17.665 -0.057 1.00 0.00 C ATOM 894 O PRO A 56 -8.698 16.789 0.647 1.00 0.00 O ATOM 895 CB PRO A 56 -11.672 17.573 -0.769 1.00 0.00 C ATOM 896 CG PRO A 56 -12.114 16.274 -0.168 1.00 0.00 C ATOM 897 CD PRO A 56 -11.431 15.197 -0.986 1.00 0.00 C ATOM 0 HA PRO A 56 -9.883 17.930 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.742 18.389 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.290 17.848 -1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.828 16.210 0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.198 16.171 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.180 14.330 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.070 14.843 -1.795 1.00 0.00 H new ATOM 905 N LEU A 57 -8.949 18.959 0.074 1.00 0.00 N ATOM 906 CA LEU A 57 -8.141 19.538 1.149 1.00 0.00 C ATOM 907 C LEU A 57 -9.077 20.268 2.131 1.00 0.00 C ATOM 908 O LEU A 57 -10.142 20.746 1.708 1.00 0.00 O ATOM 909 CB LEU A 57 -7.122 20.541 0.542 1.00 0.00 C ATOM 910 CG LEU A 57 -6.063 19.932 -0.429 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.348 21.040 -1.226 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.045 19.041 0.335 1.00 0.00 C ATOM 0 H LEU A 57 -9.297 19.658 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.596 18.755 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.676 21.313 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.596 21.034 1.359 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.588 19.294 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.615 20.591 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.080 21.598 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.843 21.716 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.320 18.631 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.526 19.641 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.574 18.225 0.828 1.00 0.00 H new ATOM 924 N PRO A 58 -8.708 20.386 3.450 1.00 0.00 N ATOM 925 CA PRO A 58 -9.478 21.211 4.414 1.00 0.00 C ATOM 926 C PRO A 58 -9.412 22.706 4.033 1.00 0.00 C ATOM 927 O PRO A 58 -8.458 23.134 3.369 1.00 0.00 O ATOM 928 CB PRO A 58 -8.778 20.927 5.773 1.00 0.00 C ATOM 929 CG PRO A 58 -7.387 20.516 5.396 1.00 0.00 C ATOM 930 CD PRO A 58 -7.535 19.738 4.104 1.00 0.00 C ATOM 0 HA PRO A 58 -10.541 20.970 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.772 21.812 6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.289 20.139 6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.744 21.385 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.934 19.903 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.640 19.808 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.712 18.679 4.290 1.00 0.00 H new ATOM 938 N ASP A 59 -10.425 23.482 4.458 1.00 0.00 N ATOM 939 CA ASP A 59 -10.531 24.934 4.156 1.00 0.00 C ATOM 940 C ASP A 59 -9.291 25.713 4.647 1.00 0.00 C ATOM 941 O ASP A 59 -8.910 26.725 4.051 1.00 0.00 O ATOM 942 CB ASP A 59 -11.815 25.533 4.790 1.00 0.00 C ATOM 943 CG ASP A 59 -13.113 24.902 4.252 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.649 25.389 3.236 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.588 23.901 4.829 1.00 0.00 O ATOM 0 H ASP A 59 -11.197 23.127 5.021 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.586 25.035 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.775 25.398 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.837 26.607 4.603 1.00 0.00 H new ATOM 950 N SER A 60 -8.685 25.205 5.738 1.00 0.00 N ATOM 951 CA SER A 60 -7.460 25.760 6.349 1.00 0.00 C ATOM 952 C SER A 60 -6.267 25.719 5.369 1.00 0.00 C ATOM 953 O SER A 60 -5.465 26.651 5.320 1.00 0.00 O ATOM 954 CB SER A 60 -7.112 24.953 7.627 1.00 0.00 C ATOM 955 OG SER A 60 -8.210 24.895 8.530 1.00 0.00 O ATOM 0 H SER A 60 -9.039 24.383 6.228 1.00 0.00 H new ATOM 0 HA SER A 60 -7.649 26.803 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.816 23.941 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.256 25.410 8.124 1.00 0.00 H new ATOM 0 HG SER A 60 -7.955 24.378 9.322 1.00 0.00 H new ATOM 961 N LYS A 61 -6.153 24.617 4.596 1.00 0.00 N ATOM 962 CA LYS A 61 -5.026 24.388 3.664 1.00 0.00 C ATOM 963 C LYS A 61 -5.441 24.607 2.206 1.00 0.00 C ATOM 964 O LYS A 61 -4.605 24.517 1.309 1.00 0.00 O ATOM 965 CB LYS A 61 -4.456 22.955 3.866 1.00 0.00 C ATOM 966 CG LYS A 61 -3.989 22.668 5.313 1.00 0.00 C ATOM 967 CD LYS A 61 -2.950 23.701 5.821 1.00 0.00 C ATOM 968 CE LYS A 61 -2.650 23.566 7.322 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.752 24.651 7.804 1.00 0.00 N ATOM 0 H LYS A 61 -6.839 23.862 4.600 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.248 25.117 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.219 22.228 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.616 22.809 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.853 22.671 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.555 21.669 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.024 23.582 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.318 24.707 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.584 23.590 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.187 22.598 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.572 24.527 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.851 24.612 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.204 25.573 7.643 1.00 0.00 H new ATOM 983 N LEU A 62 -6.726 24.906 1.974 1.00 0.00 N ATOM 984 CA LEU A 62 -7.259 25.148 0.621 1.00 0.00 C ATOM 985 C LEU A 62 -6.693 26.489 0.090 1.00 0.00 C ATOM 986 O LEU A 62 -7.256 27.562 0.325 1.00 0.00 O ATOM 987 CB LEU A 62 -8.825 25.121 0.628 1.00 0.00 C ATOM 988 CG LEU A 62 -9.538 24.672 -0.697 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.348 25.668 -1.865 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.090 23.256 -1.091 1.00 0.00 C ATOM 0 H LEU A 62 -7.425 24.987 2.713 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.942 24.352 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.148 24.456 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.180 26.120 0.881 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.608 24.662 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.866 25.296 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.758 26.639 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.286 25.773 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.593 22.958 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.011 23.246 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.348 22.558 -0.295 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.536 26.375 -0.563 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.768 27.486 -1.141 1.00 0.00 C ATOM 1004 C ASP A 63 -3.789 26.903 -2.157 1.00 0.00 C ATOM 1005 O ASP A 63 -3.355 25.759 -1.978 1.00 0.00 O ATOM 1006 CB ASP A 63 -4.005 28.275 -0.038 1.00 0.00 C ATOM 1007 CG ASP A 63 -3.022 29.329 -0.589 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -3.480 30.352 -1.139 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.791 29.116 -0.520 1.00 0.00 O ATOM 0 H ASP A 63 -5.087 25.471 -0.711 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.445 28.188 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.730 28.771 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.455 27.570 0.584 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.415 27.724 -3.167 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.605 27.314 -4.323 1.00 0.00 C ATOM 1016 C GLY A 64 -1.398 26.443 -3.990 1.00 0.00 C ATOM 1017 O GLY A 64 -1.116 25.496 -4.710 1.00 0.00 O ATOM 0 H GLY A 64 -3.677 28.709 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.243 26.772 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.257 28.209 -4.839 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.735 26.744 -2.852 1.00 0.00 N ATOM 1022 CA ALA A 65 0.428 25.978 -2.351 1.00 0.00 C ATOM 1023 C ALA A 65 0.097 24.477 -2.169 1.00 0.00 C ATOM 1024 O ALA A 65 0.786 23.607 -2.708 1.00 0.00 O ATOM 1025 CB ALA A 65 0.911 26.578 -1.019 1.00 0.00 C ATOM 0 H ALA A 65 -0.992 27.528 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 65 1.220 26.050 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.767 26.011 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.203 27.617 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.106 26.532 -0.286 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.994 24.196 -1.436 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.425 22.811 -1.119 1.00 0.00 C ATOM 1033 C ASN A 66 -2.170 22.170 -2.305 1.00 0.00 C ATOM 1034 O ASN A 66 -2.174 20.936 -2.449 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.322 22.801 0.139 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.599 23.316 1.385 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -0.954 22.555 2.104 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.716 24.609 1.664 1.00 0.00 N ATOM 0 H ASN A 66 -1.604 24.914 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.530 22.221 -0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.204 23.415 -0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.673 21.785 0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.264 24.995 2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.258 25.216 1.049 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.801 23.024 -3.143 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.491 22.596 -4.381 1.00 0.00 C ATOM 1047 C ILE A 67 -2.475 21.930 -5.333 1.00 0.00 C ATOM 1048 O ILE A 67 -2.751 20.878 -5.933 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.186 23.818 -5.106 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.279 24.490 -4.208 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.779 23.408 -6.469 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.461 23.617 -3.859 1.00 0.00 C ATOM 0 H ILE A 67 -2.846 24.030 -2.980 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.268 21.881 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.406 24.557 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.809 24.823 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.646 25.381 -4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.248 24.274 -6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.984 23.033 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.525 22.627 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.157 24.179 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.965 23.304 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.116 22.737 -3.316 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.283 22.551 -5.405 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.139 22.047 -6.174 1.00 0.00 C ATOM 1066 C LYS A 68 0.242 20.619 -5.758 1.00 0.00 C ATOM 1067 O LYS A 68 0.566 19.804 -6.608 1.00 0.00 O ATOM 1068 CB LYS A 68 1.092 22.954 -5.979 1.00 0.00 C ATOM 1069 CG LYS A 68 1.009 24.336 -6.643 1.00 0.00 C ATOM 1070 CD LYS A 68 2.312 25.132 -6.442 1.00 0.00 C ATOM 1071 CE LYS A 68 2.261 26.528 -7.060 1.00 0.00 C ATOM 1072 NZ LYS A 68 3.554 27.238 -6.892 1.00 0.00 N ATOM 0 H LYS A 68 -1.089 23.429 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.443 22.045 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.253 23.093 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.968 22.436 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.813 24.219 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.171 24.894 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.516 25.220 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.141 24.577 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.021 26.450 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.463 27.106 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.611 28.021 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.620 27.615 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.338 26.576 -7.059 1.00 0.00 H new ATOM 1086 N HIS A 69 0.209 20.351 -4.440 1.00 0.00 N ATOM 1087 CA HIS A 69 0.598 19.041 -3.873 1.00 0.00 C ATOM 1088 C HIS A 69 -0.364 17.937 -4.352 1.00 0.00 C ATOM 1089 O HIS A 69 0.062 16.826 -4.672 1.00 0.00 O ATOM 1090 CB HIS A 69 0.651 19.108 -2.306 1.00 0.00 C ATOM 1091 CG HIS A 69 1.920 18.567 -1.681 1.00 0.00 C ATOM 1092 ND1 HIS A 69 2.276 18.817 -0.372 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.930 17.828 -2.200 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.447 18.267 -0.123 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.868 17.658 -1.210 1.00 0.00 N ATOM 0 H HIS A 69 -0.086 21.031 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 69 1.598 18.793 -4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.527 20.146 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.198 18.553 -1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.987 17.443 -3.207 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.974 18.309 0.819 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.745 17.145 -1.303 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.662 18.278 -4.414 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.704 17.380 -4.949 1.00 0.00 C ATOM 1106 C ARG A 70 -2.433 17.041 -6.422 1.00 0.00 C ATOM 1107 O ARG A 70 -2.387 15.861 -6.791 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.114 18.012 -4.793 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.738 17.862 -3.395 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.878 16.385 -2.987 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.679 16.215 -1.762 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.332 15.478 -0.704 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.140 14.890 -0.635 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.189 15.332 0.293 1.00 0.00 N ATOM 0 H ARG A 70 -2.019 19.179 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.674 16.456 -4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.050 19.073 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.783 17.558 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.121 18.384 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.719 18.337 -3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.342 15.828 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.887 15.958 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.574 16.702 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.473 14.998 -1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.894 14.331 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.104 15.780 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.935 14.771 1.106 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.213 18.094 -7.229 1.00 0.00 N ATOM 1129 CA LEU A 71 -1.945 17.958 -8.673 1.00 0.00 C ATOM 1130 C LEU A 71 -0.635 17.182 -8.924 1.00 0.00 C ATOM 1131 O LEU A 71 -0.536 16.410 -9.884 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.876 19.353 -9.350 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.123 20.286 -9.176 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.031 21.519 -10.091 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.453 19.535 -9.391 1.00 0.00 C ATOM 0 H LEU A 71 -2.216 19.060 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.768 17.394 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.003 19.877 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.709 19.205 -10.417 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.115 20.629 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.911 22.146 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.135 22.089 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.982 21.197 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.286 20.225 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.479 19.123 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.535 18.725 -8.666 1.00 0.00 H new ATOM 1147 N ALA A 72 0.337 17.380 -8.014 1.00 0.00 N ATOM 1148 CA ALA A 72 1.680 16.802 -8.107 1.00 0.00 C ATOM 1149 C ALA A 72 1.635 15.278 -7.952 1.00 0.00 C ATOM 1150 O ALA A 72 2.019 14.549 -8.869 1.00 0.00 O ATOM 1151 CB ALA A 72 2.621 17.438 -7.068 1.00 0.00 C ATOM 0 H ALA A 72 0.204 17.956 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 72 2.075 17.023 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.613 16.994 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.687 18.511 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.230 17.260 -6.066 1.00 0.00 H new ATOM 1157 N LEU A 73 1.117 14.802 -6.803 1.00 0.00 N ATOM 1158 CA LEU A 73 1.032 13.352 -6.522 1.00 0.00 C ATOM 1159 C LEU A 73 0.037 12.652 -7.457 1.00 0.00 C ATOM 1160 O LEU A 73 0.215 11.465 -7.759 1.00 0.00 O ATOM 1161 CB LEU A 73 0.687 13.051 -5.040 1.00 0.00 C ATOM 1162 CG LEU A 73 1.857 13.261 -4.020 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.085 14.750 -3.708 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.635 12.434 -2.738 1.00 0.00 C ATOM 0 H LEU A 73 0.753 15.395 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 73 2.027 12.949 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.149 13.685 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.345 12.019 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 73 2.770 12.896 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.905 14.851 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.334 15.280 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.178 15.175 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.463 12.601 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.702 12.740 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.582 11.375 -2.992 1.00 0.00 H new ATOM 1176 N TRP A 74 -0.993 13.400 -7.919 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.966 12.884 -8.894 1.00 0.00 C ATOM 1178 C TRP A 74 -1.261 12.463 -10.186 1.00 0.00 C ATOM 1179 O TRP A 74 -1.290 11.295 -10.550 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.066 13.920 -9.231 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.021 13.434 -10.301 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.936 12.424 -10.190 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.115 13.909 -11.650 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.585 12.249 -11.380 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.105 13.148 -12.288 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.461 14.912 -12.372 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.455 13.349 -13.612 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.808 15.113 -13.691 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.801 14.337 -14.299 1.00 0.00 C ATOM 0 H TRP A 74 -1.166 14.362 -7.628 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.443 12.020 -8.432 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.629 14.153 -8.327 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.597 14.846 -9.562 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.119 11.849 -9.294 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.312 11.557 -11.561 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.698 15.518 -11.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.217 12.748 -14.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.307 15.880 -14.263 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.057 14.521 -15.332 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.619 13.440 -10.855 1.00 0.00 N ATOM 1201 CA ILE A 75 0.000 13.226 -12.173 1.00 0.00 C ATOM 1202 C ILE A 75 1.247 12.331 -12.053 1.00 0.00 C ATOM 1203 O ILE A 75 1.607 11.642 -12.999 1.00 0.00 O ATOM 1204 CB ILE A 75 0.350 14.589 -12.884 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.680 14.373 -14.399 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.508 15.310 -12.170 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.433 13.724 -15.210 1.00 0.00 C ATOM 0 H ILE A 75 -0.516 14.390 -10.499 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.731 12.713 -12.798 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.533 15.225 -12.821 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.920 15.338 -14.845 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.574 13.755 -14.477 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.726 16.246 -12.684 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.225 15.520 -11.138 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.394 14.675 -12.182 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.112 13.616 -16.246 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.660 12.742 -14.796 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.325 14.349 -15.170 1.00 0.00 H new ATOM 1219 N HIS A 76 1.878 12.331 -10.860 1.00 0.00 N ATOM 1220 CA HIS A 76 3.032 11.462 -10.575 1.00 0.00 C ATOM 1221 C HIS A 76 2.586 9.993 -10.579 1.00 0.00 C ATOM 1222 O HIS A 76 3.280 9.132 -11.108 1.00 0.00 O ATOM 1223 CB HIS A 76 3.687 11.831 -9.218 1.00 0.00 C ATOM 1224 CG HIS A 76 5.057 11.234 -9.015 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.425 10.550 -7.878 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.160 11.259 -9.808 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.686 10.181 -7.976 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.154 10.596 -9.139 1.00 0.00 N ATOM 0 H HIS A 76 1.604 12.926 -10.078 1.00 0.00 H new ATOM 0 HA HIS A 76 3.780 11.610 -11.354 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.760 12.916 -9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.035 11.501 -8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.238 11.716 -10.783 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.243 9.632 -7.231 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.102 10.447 -9.483 1.00 0.00 H new ATOM 1237 N ALA A 77 1.401 9.740 -9.989 1.00 0.00 N ATOM 1238 CA ALA A 77 0.779 8.403 -9.953 1.00 0.00 C ATOM 1239 C ALA A 77 0.085 8.057 -11.288 1.00 0.00 C ATOM 1240 O ALA A 77 0.002 6.879 -11.659 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.222 8.334 -8.788 1.00 0.00 C ATOM 0 H ALA A 77 0.848 10.459 -9.523 1.00 0.00 H new ATOM 0 HA ALA A 77 1.566 7.664 -9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.682 7.346 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.300 8.517 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.995 9.090 -8.927 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.407 9.097 -11.993 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.146 8.949 -13.264 1.00 0.00 C ATOM 1249 C ALA A 78 -0.197 8.481 -14.376 1.00 0.00 C ATOM 1250 O ALA A 78 -0.541 7.594 -15.164 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.839 10.270 -13.650 1.00 0.00 C ATOM 0 H ALA A 78 -0.302 10.067 -11.695 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.920 8.193 -13.131 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.377 10.138 -14.589 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.541 10.555 -12.866 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.090 11.053 -13.768 1.00 0.00 H new ATOM 1257 N LEU A 79 0.999 9.095 -14.418 1.00 0.00 N ATOM 1258 CA LEU A 79 2.104 8.643 -15.272 1.00 0.00 C ATOM 1259 C LEU A 79 2.629 7.301 -14.705 1.00 0.00 C ATOM 1260 O LEU A 79 3.189 7.289 -13.599 1.00 0.00 O ATOM 1261 CB LEU A 79 3.233 9.713 -15.332 1.00 0.00 C ATOM 1262 CG LEU A 79 2.821 11.112 -15.910 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.009 12.103 -15.878 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.222 10.985 -17.338 1.00 0.00 C ATOM 0 H LEU A 79 1.223 9.918 -13.859 1.00 0.00 H new ATOM 0 HA LEU A 79 1.754 8.498 -16.294 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.623 9.858 -14.325 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.050 9.318 -15.936 1.00 0.00 H new ATOM 0 HG LEU A 79 2.039 11.516 -15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.693 13.063 -16.285 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.343 12.237 -14.849 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.829 11.707 -16.477 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.948 11.973 -17.707 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.961 10.541 -18.005 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.336 10.351 -17.306 1.00 0.00 H new ATOM 1276 N PRO A 80 2.437 6.152 -15.439 1.00 0.00 N ATOM 1277 CA PRO A 80 2.734 4.791 -14.907 1.00 0.00 C ATOM 1278 C PRO A 80 4.246 4.498 -14.789 1.00 0.00 C ATOM 1279 O PRO A 80 4.652 3.478 -14.221 1.00 0.00 O ATOM 1280 CB PRO A 80 2.052 3.867 -15.945 1.00 0.00 C ATOM 1281 CG PRO A 80 2.116 4.638 -17.232 1.00 0.00 C ATOM 1282 CD PRO A 80 1.930 6.089 -16.846 1.00 0.00 C ATOM 0 HA PRO A 80 2.371 4.656 -13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.571 2.912 -16.028 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.022 3.647 -15.665 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.072 4.485 -17.734 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.338 4.313 -17.923 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.491 6.753 -17.504 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.884 6.389 -16.908 1.00 0.00 H new ATOM 1290 N ASP A 81 5.056 5.392 -15.360 1.00 0.00 N ATOM 1291 CA ASP A 81 6.527 5.331 -15.290 1.00 0.00 C ATOM 1292 C ASP A 81 7.068 6.240 -14.175 1.00 0.00 C ATOM 1293 O ASP A 81 8.267 6.197 -13.874 1.00 0.00 O ATOM 1294 CB ASP A 81 7.136 5.754 -16.650 1.00 0.00 C ATOM 1295 CG ASP A 81 6.656 4.874 -17.814 1.00 0.00 C ATOM 1296 OD1 ASP A 81 7.284 3.828 -18.081 1.00 0.00 O ATOM 1297 OD2 ASP A 81 5.631 5.214 -18.451 1.00 0.00 O ATOM 0 H ASP A 81 4.710 6.191 -15.892 1.00 0.00 H new ATOM 0 HA ASP A 81 6.814 4.304 -15.063 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.875 6.792 -16.853 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.223 5.705 -16.587 1.00 0.00 H new ATOM 1302 N ASN A 82 6.172 7.071 -13.582 1.00 0.00 N ATOM 1303 CA ASN A 82 6.523 8.087 -12.559 1.00 0.00 C ATOM 1304 C ASN A 82 7.640 9.013 -13.082 1.00 0.00 C ATOM 1305 O ASN A 82 8.542 9.420 -12.334 1.00 0.00 O ATOM 1306 CB ASN A 82 6.904 7.415 -11.198 1.00 0.00 C ATOM 1307 CG ASN A 82 5.824 6.473 -10.617 1.00 0.00 C ATOM 1308 OD1 ASN A 82 6.140 5.532 -9.893 1.00 0.00 O ATOM 1309 ND2 ASN A 82 4.550 6.697 -10.926 1.00 0.00 N ATOM 0 H ASN A 82 5.177 7.053 -13.804 1.00 0.00 H new ATOM 0 HA ASN A 82 5.645 8.704 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.826 6.849 -11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.115 8.197 -10.469 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.821 6.084 -10.561 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.302 7.482 -11.528 1.00 0.00 H new ATOM 1316 N ASP A 83 7.512 9.338 -14.392 1.00 0.00 N ATOM 1317 CA ASP A 83 8.471 10.144 -15.188 1.00 0.00 C ATOM 1318 C ASP A 83 8.832 11.465 -14.455 1.00 0.00 C ATOM 1319 O ASP A 83 7.957 12.025 -13.807 1.00 0.00 O ATOM 1320 CB ASP A 83 7.813 10.428 -16.580 1.00 0.00 C ATOM 1321 CG ASP A 83 8.744 11.097 -17.613 1.00 0.00 C ATOM 1322 OD1 ASP A 83 9.499 10.382 -18.308 1.00 0.00 O ATOM 1323 OD2 ASP A 83 8.707 12.334 -17.760 1.00 0.00 O ATOM 0 H ASP A 83 6.709 9.035 -14.943 1.00 0.00 H new ATOM 0 HA ASP A 83 9.404 9.597 -15.321 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.452 9.487 -16.994 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.942 11.066 -16.431 1.00 0.00 H new ATOM 1328 N PRO A 84 10.119 11.970 -14.527 1.00 0.00 N ATOM 1329 CA PRO A 84 10.535 13.250 -13.860 1.00 0.00 C ATOM 1330 C PRO A 84 9.992 14.520 -14.564 1.00 0.00 C ATOM 1331 O PRO A 84 10.304 15.650 -14.156 1.00 0.00 O ATOM 1332 CB PRO A 84 12.079 13.177 -13.926 1.00 0.00 C ATOM 1333 CG PRO A 84 12.350 12.403 -15.179 1.00 0.00 C ATOM 1334 CD PRO A 84 11.274 11.335 -15.227 1.00 0.00 C ATOM 0 HA PRO A 84 10.137 13.336 -12.849 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.525 14.171 -13.966 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.493 12.677 -13.050 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.305 13.047 -16.057 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.345 11.959 -15.160 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.022 11.065 -16.253 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.593 10.421 -14.726 1.00 0.00 H new ATOM 1342 N LEU A 85 9.193 14.303 -15.629 1.00 0.00 N ATOM 1343 CA LEU A 85 8.422 15.332 -16.363 1.00 0.00 C ATOM 1344 C LEU A 85 9.316 16.319 -17.148 1.00 0.00 C ATOM 1345 O LEU A 85 8.810 17.253 -17.778 1.00 0.00 O ATOM 1346 CB LEU A 85 7.401 16.085 -15.441 1.00 0.00 C ATOM 1347 CG LEU A 85 6.360 15.174 -14.678 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.852 14.764 -13.277 1.00 0.00 C ATOM 1349 CD2 LEU A 85 4.976 15.827 -14.597 1.00 0.00 C ATOM 0 H LEU A 85 9.061 13.369 -16.018 1.00 0.00 H new ATOM 0 HA LEU A 85 7.843 14.785 -17.107 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.962 16.659 -14.703 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.850 16.801 -16.051 1.00 0.00 H new ATOM 0 HG LEU A 85 6.267 14.264 -15.270 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.100 14.139 -12.796 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.784 14.206 -13.368 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.021 15.657 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.292 15.166 -14.064 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.052 16.775 -14.065 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.598 16.005 -15.604 1.00 0.00 H new ATOM 1361 N LYS A 86 10.635 16.083 -17.140 1.00 0.00 N ATOM 1362 CA LYS A 86 11.621 16.922 -17.828 1.00 0.00 C ATOM 1363 C LYS A 86 12.082 16.136 -19.079 1.00 0.00 C ATOM 1364 O LYS A 86 12.818 15.141 -18.919 1.00 0.00 O ATOM 1365 CB LYS A 86 12.811 17.262 -16.858 1.00 0.00 C ATOM 1366 CG LYS A 86 13.583 18.580 -17.167 1.00 0.00 C ATOM 1367 CD LYS A 86 14.352 18.617 -18.522 1.00 0.00 C ATOM 1368 CE LYS A 86 15.642 17.760 -18.555 1.00 0.00 C ATOM 1369 NZ LYS A 86 15.386 16.302 -18.511 1.00 0.00 N ATOM 1370 OXT LYS A 86 11.691 16.502 -20.205 1.00 0.00 O ATOM 0 H LYS A 86 11.051 15.292 -16.648 1.00 0.00 H new ATOM 0 HA LYS A 86 11.198 17.878 -18.136 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.421 17.321 -15.842 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.520 16.434 -16.879 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.872 19.406 -17.152 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.296 18.758 -16.362 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.684 18.276 -19.313 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.612 19.651 -18.749 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.201 17.995 -19.460 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.273 18.035 -17.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.072 15.811 -19.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.483 15.962 -17.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.422 16.108 -18.851 1.00 0.00 H new TER 1384 LYS A 86