USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 82:sc= 1.53 USER MOD Set 1.2: A 53 HIS : no HE2:sc= -0.254 K(o=1.3,f=-0.89) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.15 (180deg=0.859) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.0163 X(o=0.016,f=-0.02) USER MOD Single : A 14 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.049) USER MOD Single : A 18 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 27 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.38) USER MOD Single : A 30 GLN : amide:sc= -0.889 K(o=-0.89,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.205) USER MOD Single : A 56 MET CE :methyl -131:sc= -0.883 (180deg=-2.56!) USER MOD Single : A 59 SER OG : rot -86:sc= 0.31 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.4) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.993 3.356 -6.155 1.00 0.00 N ATOM 2 CA MET A 1 -0.168 3.084 -5.276 1.00 0.00 C ATOM 3 C MET A 1 -0.972 1.892 -5.837 1.00 0.00 C ATOM 4 O MET A 1 -1.724 2.042 -6.805 1.00 0.00 O ATOM 5 CB MET A 1 -1.064 4.352 -5.139 1.00 0.00 C ATOM 6 CG MET A 1 -0.397 5.558 -4.446 1.00 0.00 C ATOM 7 SD MET A 1 1.051 6.189 -5.331 1.00 0.00 S ATOM 8 CE MET A 1 1.572 7.541 -4.264 1.00 0.00 C ATOM 0 H1 MET A 1 1.300 4.342 -6.030 1.00 0.00 H new ATOM 0 H2 MET A 1 1.774 2.716 -5.906 1.00 0.00 H new ATOM 0 H3 MET A 1 0.721 3.201 -7.147 1.00 0.00 H new ATOM 0 HA MET A 1 0.190 2.826 -4.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.386 4.658 -6.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.962 4.084 -4.582 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.129 6.359 -4.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.099 5.269 -3.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.455 8.020 -4.688 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.767 8.271 -4.183 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.810 7.152 -3.274 1.00 0.00 H new ATOM 20 N LYS A 2 -0.756 0.692 -5.253 1.00 0.00 N ATOM 21 CA LYS A 2 -1.513 -0.532 -5.596 1.00 0.00 C ATOM 22 C LYS A 2 -2.872 -0.532 -4.880 1.00 0.00 C ATOM 23 O LYS A 2 -3.932 -0.594 -5.523 1.00 0.00 O ATOM 24 CB LYS A 2 -0.681 -1.805 -5.237 1.00 0.00 C ATOM 25 CG LYS A 2 0.646 -2.007 -6.042 1.00 0.00 C ATOM 26 CD LYS A 2 0.456 -2.567 -7.488 1.00 0.00 C ATOM 27 CE LYS A 2 -0.097 -1.549 -8.509 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.445 -2.184 -9.800 1.00 0.00 N ATOM 0 H LYS A 2 -0.051 0.545 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.698 -0.547 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.437 -1.768 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.311 -2.681 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.166 -1.051 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.292 -2.687 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.416 -2.937 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.219 -3.422 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.981 -1.065 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.644 -0.768 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.812 -1.463 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.403 -2.624 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.171 -2.912 -9.644 1.00 0.00 H new ATOM 42 N CYS A 3 -2.831 -0.443 -3.536 1.00 0.00 N ATOM 43 CA CYS A 3 -4.030 -0.293 -2.705 1.00 0.00 C ATOM 44 C CYS A 3 -4.449 1.189 -2.696 1.00 0.00 C ATOM 45 O CYS A 3 -4.251 1.900 -1.705 1.00 0.00 O ATOM 46 CB CYS A 3 -3.755 -0.820 -1.274 1.00 0.00 C ATOM 47 SG CYS A 3 -3.104 -2.510 -1.217 1.00 0.00 S ATOM 0 H CYS A 3 -1.963 -0.474 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.850 -0.882 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.046 -0.153 -0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.681 -0.780 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.905 -2.857 0.020 1.00 0.00 H new ATOM 53 N LYS A 4 -4.985 1.653 -3.846 1.00 0.00 N ATOM 54 CA LYS A 4 -5.402 3.059 -4.048 1.00 0.00 C ATOM 55 C LYS A 4 -6.437 3.475 -3.000 1.00 0.00 C ATOM 56 O LYS A 4 -6.345 4.563 -2.427 1.00 0.00 O ATOM 57 CB LYS A 4 -5.998 3.259 -5.459 1.00 0.00 C ATOM 58 CG LYS A 4 -5.023 2.963 -6.612 1.00 0.00 C ATOM 59 CD LYS A 4 -5.658 3.234 -7.991 1.00 0.00 C ATOM 60 CE LYS A 4 -4.726 2.891 -9.160 1.00 0.00 C ATOM 61 NZ LYS A 4 -5.390 3.116 -10.467 1.00 0.00 N ATOM 0 H LYS A 4 -5.141 1.062 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.514 3.683 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.872 2.616 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.346 4.288 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.130 3.577 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.704 1.922 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.575 2.652 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.939 4.285 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.824 3.500 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.413 1.850 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.733 2.875 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.237 2.516 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.666 4.115 -10.549 1.00 0.00 H new ATOM 75 N ARG A 5 -7.404 2.559 -2.757 1.00 0.00 N ATOM 76 CA ARG A 5 -8.486 2.736 -1.767 1.00 0.00 C ATOM 77 C ARG A 5 -7.925 3.063 -0.373 1.00 0.00 C ATOM 78 O ARG A 5 -8.480 3.904 0.337 1.00 0.00 O ATOM 79 CB ARG A 5 -9.387 1.473 -1.703 1.00 0.00 C ATOM 80 CG ARG A 5 -10.167 1.184 -3.004 1.00 0.00 C ATOM 81 CD ARG A 5 -11.102 -0.033 -2.885 1.00 0.00 C ATOM 82 NE ARG A 5 -12.066 -0.126 -3.999 1.00 0.00 N ATOM 83 CZ ARG A 5 -13.102 -0.976 -4.039 1.00 0.00 C ATOM 84 NH1 ARG A 5 -13.290 -1.864 -3.064 1.00 0.00 N ATOM 85 NH2 ARG A 5 -13.944 -0.930 -5.054 1.00 0.00 N ATOM 0 H ARG A 5 -7.453 1.667 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.092 3.581 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.766 0.609 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.098 1.589 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.755 2.062 -3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.459 1.014 -3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.503 -0.943 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.647 0.024 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.935 0.500 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.642 -1.902 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.082 -2.506 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.805 -0.251 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.734 -1.574 -5.091 1.00 0.00 H new ATOM 99 N LEU A 6 -6.805 2.413 -0.015 1.00 0.00 N ATOM 100 CA LEU A 6 -6.134 2.636 1.277 1.00 0.00 C ATOM 101 C LEU A 6 -5.517 4.055 1.315 1.00 0.00 C ATOM 102 O LEU A 6 -5.629 4.742 2.326 1.00 0.00 O ATOM 103 CB LEU A 6 -5.076 1.514 1.527 1.00 0.00 C ATOM 104 CG LEU A 6 -4.402 1.410 2.948 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.267 2.433 3.153 1.00 0.00 C ATOM 106 CD2 LEU A 6 -5.451 1.497 4.080 1.00 0.00 C ATOM 0 H LEU A 6 -6.342 1.724 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.860 2.581 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.554 0.557 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.280 1.641 0.793 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.938 0.425 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.843 2.311 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.490 2.269 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.664 3.443 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.951 1.422 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.977 2.450 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.166 0.681 3.977 1.00 0.00 H new ATOM 118 N ASN A 7 -4.888 4.489 0.206 1.00 0.00 N ATOM 119 CA ASN A 7 -4.249 5.828 0.123 1.00 0.00 C ATOM 120 C ASN A 7 -5.290 6.962 0.247 1.00 0.00 C ATOM 121 O ASN A 7 -5.105 7.918 1.020 1.00 0.00 O ATOM 122 CB ASN A 7 -3.448 6.000 -1.195 1.00 0.00 C ATOM 123 CG ASN A 7 -2.229 5.081 -1.273 1.00 0.00 C ATOM 124 OD1 ASN A 7 -1.155 5.423 -0.797 1.00 0.00 O ATOM 125 ND2 ASN A 7 -2.379 3.914 -1.880 1.00 0.00 N ATOM 0 H ASN A 7 -4.806 3.936 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.557 5.894 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.104 5.798 -2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.122 7.036 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.588 3.275 -1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.286 3.654 -2.268 1.00 0.00 H new ATOM 132 N GLU A 8 -6.395 6.827 -0.502 1.00 0.00 N ATOM 133 CA GLU A 8 -7.417 7.880 -0.629 1.00 0.00 C ATOM 134 C GLU A 8 -8.306 7.969 0.627 1.00 0.00 C ATOM 135 O GLU A 8 -8.742 9.064 0.990 1.00 0.00 O ATOM 136 CB GLU A 8 -8.242 7.684 -1.925 1.00 0.00 C ATOM 137 CG GLU A 8 -8.954 6.331 -2.051 1.00 0.00 C ATOM 138 CD GLU A 8 -9.504 6.076 -3.462 1.00 0.00 C ATOM 139 OE1 GLU A 8 -10.536 6.665 -3.819 1.00 0.00 O ATOM 140 OE2 GLU A 8 -8.865 5.332 -4.240 1.00 0.00 O ATOM 0 H GLU A 8 -6.606 5.985 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.908 8.840 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.989 8.476 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.578 7.808 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.259 5.534 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.774 6.289 -1.334 1.00 0.00 H new ATOM 147 N VAL A 9 -8.545 6.834 1.332 1.00 0.00 N ATOM 148 CA VAL A 9 -9.190 6.909 2.670 1.00 0.00 C ATOM 149 C VAL A 9 -8.234 7.625 3.652 1.00 0.00 C ATOM 150 O VAL A 9 -8.654 8.497 4.389 1.00 0.00 O ATOM 151 CB VAL A 9 -9.692 5.524 3.258 1.00 0.00 C ATOM 152 CG1 VAL A 9 -10.775 4.885 2.353 1.00 0.00 C ATOM 153 CG2 VAL A 9 -8.528 4.541 3.531 1.00 0.00 C ATOM 0 H VAL A 9 -8.313 5.893 1.015 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.107 7.483 2.538 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.150 5.740 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.097 3.937 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.629 5.558 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.362 4.709 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.926 3.609 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.997 4.338 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.840 4.983 4.252 1.00 0.00 H new ATOM 163 N ILE A 10 -6.923 7.319 3.588 1.00 0.00 N ATOM 164 CA ILE A 10 -5.891 8.024 4.395 1.00 0.00 C ATOM 165 C ILE A 10 -5.708 9.505 3.921 1.00 0.00 C ATOM 166 O ILE A 10 -5.035 10.291 4.573 1.00 0.00 O ATOM 167 CB ILE A 10 -4.530 7.203 4.408 1.00 0.00 C ATOM 168 CG1 ILE A 10 -4.754 5.805 5.074 1.00 0.00 C ATOM 169 CG2 ILE A 10 -3.354 7.943 5.108 1.00 0.00 C ATOM 170 CD1 ILE A 10 -5.236 5.854 6.521 1.00 0.00 C ATOM 0 H ILE A 10 -6.547 6.587 2.986 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.236 8.079 5.428 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.237 7.084 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.481 5.249 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.819 5.246 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.461 7.319 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.158 8.884 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.618 8.146 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.363 4.839 6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.501 6.378 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.189 6.380 6.569 1.00 0.00 H new ATOM 182 N GLU A 11 -6.334 9.904 2.798 1.00 0.00 N ATOM 183 CA GLU A 11 -6.404 11.335 2.430 1.00 0.00 C ATOM 184 C GLU A 11 -7.476 12.079 3.273 1.00 0.00 C ATOM 185 O GLU A 11 -7.139 12.942 4.084 1.00 0.00 O ATOM 186 CB GLU A 11 -6.676 11.520 0.905 1.00 0.00 C ATOM 187 CG GLU A 11 -5.493 11.145 -0.016 1.00 0.00 C ATOM 188 CD GLU A 11 -4.271 12.067 0.166 1.00 0.00 C ATOM 189 OE1 GLU A 11 -4.321 13.235 -0.292 1.00 0.00 O ATOM 190 OE2 GLU A 11 -3.262 11.641 0.769 1.00 0.00 O ATOM 0 H GLU A 11 -6.791 9.272 2.140 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.432 11.775 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.539 10.915 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.945 12.560 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.197 10.115 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.821 11.187 -1.055 1.00 0.00 H new ATOM 197 N LEU A 12 -8.768 11.702 3.129 1.00 0.00 N ATOM 198 CA LEU A 12 -9.907 12.512 3.707 1.00 0.00 C ATOM 199 C LEU A 12 -10.413 11.985 5.071 1.00 0.00 C ATOM 200 O LEU A 12 -11.199 12.648 5.762 1.00 0.00 O ATOM 201 CB LEU A 12 -11.107 12.698 2.689 1.00 0.00 C ATOM 202 CG LEU A 12 -11.449 11.564 1.657 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.484 11.580 0.458 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.521 10.171 2.317 1.00 0.00 C ATOM 0 H LEU A 12 -9.062 10.862 2.631 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.477 13.496 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.006 12.881 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.910 13.606 2.119 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.447 11.777 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.751 10.782 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.553 12.541 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.464 11.428 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.760 9.422 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.559 9.934 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.295 10.172 3.085 1.00 0.00 H new ATOM 216 N LEU A 13 -9.963 10.795 5.437 1.00 0.00 N ATOM 217 CA LEU A 13 -10.356 10.088 6.676 1.00 0.00 C ATOM 218 C LEU A 13 -9.150 9.978 7.636 1.00 0.00 C ATOM 219 O LEU A 13 -9.286 9.447 8.745 1.00 0.00 O ATOM 220 CB LEU A 13 -11.004 8.714 6.259 1.00 0.00 C ATOM 221 CG LEU A 13 -10.971 7.483 7.239 1.00 0.00 C ATOM 222 CD1 LEU A 13 -12.258 6.634 7.132 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.725 6.595 6.981 1.00 0.00 C ATOM 0 H LEU A 13 -9.295 10.268 4.874 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.106 10.638 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.050 8.910 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.523 8.400 5.332 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.911 7.883 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.198 5.794 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.122 7.250 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.363 6.259 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.729 5.753 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.749 6.223 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.821 7.184 7.132 1.00 0.00 H new ATOM 235 N GLN A 14 -7.996 10.574 7.220 1.00 0.00 N ATOM 236 CA GLN A 14 -6.714 10.536 7.968 1.00 0.00 C ATOM 237 C GLN A 14 -6.922 10.808 9.493 1.00 0.00 C ATOM 238 O GLN A 14 -6.577 9.940 10.290 1.00 0.00 O ATOM 239 CB GLN A 14 -5.668 11.546 7.371 1.00 0.00 C ATOM 240 CG GLN A 14 -4.177 11.105 7.411 1.00 0.00 C ATOM 241 CD GLN A 14 -3.694 10.505 8.735 1.00 0.00 C ATOM 242 OE1 GLN A 14 -3.246 11.211 9.631 1.00 0.00 O ATOM 243 NE2 GLN A 14 -3.768 9.185 8.852 1.00 0.00 N ATOM 0 H GLN A 14 -7.934 11.098 6.347 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.317 9.527 7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.938 11.743 6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.759 12.490 7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.013 10.372 6.621 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.556 11.970 7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.146 8.626 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.447 8.730 9.706 1.00 0.00 H new ATOM 252 N PRO A 15 -7.528 11.984 9.934 1.00 0.00 N ATOM 253 CA PRO A 15 -7.701 12.258 11.380 1.00 0.00 C ATOM 254 C PRO A 15 -8.756 11.341 12.016 1.00 0.00 C ATOM 255 O PRO A 15 -8.550 10.827 13.122 1.00 0.00 O ATOM 256 CB PRO A 15 -8.119 13.749 11.422 1.00 0.00 C ATOM 257 CG PRO A 15 -8.799 13.993 10.102 1.00 0.00 C ATOM 258 CD PRO A 15 -8.085 13.110 9.099 1.00 0.00 C ATOM 0 HA PRO A 15 -6.796 12.064 11.956 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.791 13.948 12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.253 14.399 11.548 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.859 13.745 10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.732 15.043 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.769 12.740 8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.294 13.653 8.582 1.00 0.00 H new ATOM 266 N ALA A 16 -9.851 11.107 11.262 1.00 0.00 N ATOM 267 CA ALA A 16 -11.037 10.381 11.742 1.00 0.00 C ATOM 268 C ALA A 16 -10.670 8.972 12.229 1.00 0.00 C ATOM 269 O ALA A 16 -10.990 8.595 13.368 1.00 0.00 O ATOM 270 CB ALA A 16 -12.101 10.326 10.629 1.00 0.00 C ATOM 0 H ALA A 16 -9.933 11.421 10.295 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.451 10.918 12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.977 9.787 10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.388 11.340 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.692 9.812 9.759 1.00 0.00 H new ATOM 276 N TRP A 17 -9.977 8.204 11.368 1.00 0.00 N ATOM 277 CA TRP A 17 -9.543 6.826 11.697 1.00 0.00 C ATOM 278 C TRP A 17 -8.477 6.824 12.810 1.00 0.00 C ATOM 279 O TRP A 17 -8.439 5.911 13.627 1.00 0.00 O ATOM 280 CB TRP A 17 -9.013 6.113 10.424 1.00 0.00 C ATOM 281 CG TRP A 17 -8.938 4.599 10.494 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.434 3.774 11.471 1.00 0.00 C ATOM 283 CD2 TRP A 17 -8.358 3.737 9.511 1.00 0.00 C ATOM 284 NE1 TRP A 17 -9.183 2.467 11.154 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.524 2.415 9.958 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.714 3.956 8.294 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -8.064 1.325 9.232 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -7.257 2.874 7.574 1.00 0.00 C ATOM 289 CH2 TRP A 17 -7.437 1.570 8.042 1.00 0.00 C ATOM 0 H TRP A 17 -9.703 8.512 10.435 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.408 6.278 12.071 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.652 6.387 9.585 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -8.017 6.497 10.204 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.948 4.107 12.361 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.446 1.660 11.720 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.575 4.960 7.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.197 0.317 9.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.752 3.036 6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.074 0.740 7.453 1.00 0.00 H new ATOM 300 N GLN A 18 -7.627 7.862 12.850 1.00 0.00 N ATOM 301 CA GLN A 18 -6.557 7.971 13.874 1.00 0.00 C ATOM 302 C GLN A 18 -7.095 8.389 15.255 1.00 0.00 C ATOM 303 O GLN A 18 -6.340 8.403 16.235 1.00 0.00 O ATOM 304 CB GLN A 18 -5.417 8.911 13.400 1.00 0.00 C ATOM 305 CG GLN A 18 -4.657 8.406 12.157 1.00 0.00 C ATOM 306 CD GLN A 18 -4.119 6.980 12.312 1.00 0.00 C ATOM 307 OE1 GLN A 18 -3.009 6.776 12.788 1.00 0.00 O ATOM 308 NE2 GLN A 18 -4.908 5.986 11.905 1.00 0.00 N ATOM 0 H GLN A 18 -7.653 8.640 12.190 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.140 6.971 13.996 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.838 9.892 13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.707 9.044 14.217 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.321 8.444 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.826 9.080 11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.827 6.192 11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.593 5.019 11.985 1.00 0.00 H new ATOM 317 N LYS A 19 -8.395 8.725 15.332 1.00 0.00 N ATOM 318 CA LYS A 19 -9.077 8.913 16.630 1.00 0.00 C ATOM 319 C LYS A 19 -9.312 7.565 17.338 1.00 0.00 C ATOM 320 O LYS A 19 -9.405 7.520 18.573 1.00 0.00 O ATOM 321 CB LYS A 19 -10.399 9.699 16.466 1.00 0.00 C ATOM 322 CG LYS A 19 -10.239 11.085 15.799 1.00 0.00 C ATOM 323 CD LYS A 19 -9.050 11.891 16.374 1.00 0.00 C ATOM 324 CE LYS A 19 -8.894 13.276 15.736 1.00 0.00 C ATOM 325 NZ LYS A 19 -7.740 14.017 16.300 1.00 0.00 N ATOM 0 H LYS A 19 -8.993 8.872 14.519 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.419 9.509 17.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.092 9.102 15.873 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.853 9.832 17.448 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.098 10.953 14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.158 11.656 15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.184 12.007 17.450 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.130 11.325 16.227 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.765 13.167 14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.806 13.852 15.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.668 14.948 15.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.875 14.143 17.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.866 13.480 16.130 1.00 0.00 H new ATOM 339 N GLU A 20 -9.394 6.470 16.553 1.00 0.00 N ATOM 340 CA GLU A 20 -9.367 5.098 17.086 1.00 0.00 C ATOM 341 C GLU A 20 -9.095 4.097 15.944 1.00 0.00 C ATOM 342 O GLU A 20 -10.032 3.593 15.315 1.00 0.00 O ATOM 343 CB GLU A 20 -10.672 4.741 17.863 1.00 0.00 C ATOM 344 CG GLU A 20 -10.566 3.453 18.710 1.00 0.00 C ATOM 345 CD GLU A 20 -11.733 3.275 19.698 1.00 0.00 C ATOM 346 OE1 GLU A 20 -11.978 4.195 20.510 1.00 0.00 O ATOM 347 OE2 GLU A 20 -12.416 2.230 19.672 1.00 0.00 O ATOM 0 H GLU A 20 -9.480 6.515 15.538 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.554 5.033 17.810 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.933 5.573 18.517 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.488 4.628 17.150 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.528 2.591 18.044 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.628 3.468 19.265 1.00 0.00 H new ATOM 354 N PRO A 21 -7.780 3.833 15.611 1.00 0.00 N ATOM 355 CA PRO A 21 -7.396 2.843 14.573 1.00 0.00 C ATOM 356 C PRO A 21 -7.516 1.375 15.061 1.00 0.00 C ATOM 357 O PRO A 21 -7.082 0.450 14.364 1.00 0.00 O ATOM 358 CB PRO A 21 -5.932 3.240 14.244 1.00 0.00 C ATOM 359 CG PRO A 21 -5.405 3.807 15.527 1.00 0.00 C ATOM 360 CD PRO A 21 -6.575 4.521 16.176 1.00 0.00 C ATOM 0 HA PRO A 21 -8.054 2.869 13.704 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.349 2.378 13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.890 3.973 13.438 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.021 3.018 16.174 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.581 4.496 15.341 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.541 4.437 17.262 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.575 5.585 15.938 1.00 0.00 H new ATOM 368 N ASP A 22 -8.091 1.187 16.272 1.00 0.00 N ATOM 369 CA ASP A 22 -8.473 -0.144 16.806 1.00 0.00 C ATOM 370 C ASP A 22 -9.517 -0.814 15.891 1.00 0.00 C ATOM 371 O ASP A 22 -9.563 -2.045 15.767 1.00 0.00 O ATOM 372 CB ASP A 22 -9.031 -0.002 18.249 1.00 0.00 C ATOM 373 CG ASP A 22 -9.414 -1.349 18.908 1.00 0.00 C ATOM 374 OD1 ASP A 22 -8.499 -2.148 19.238 1.00 0.00 O ATOM 375 OD2 ASP A 22 -10.624 -1.614 19.100 1.00 0.00 O ATOM 0 H ASP A 22 -8.304 1.955 16.909 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.585 -0.775 16.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.285 0.496 18.869 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.909 0.643 18.227 1.00 0.00 H new ATOM 380 N PHE A 23 -10.363 0.023 15.266 1.00 0.00 N ATOM 381 CA PHE A 23 -11.253 -0.408 14.183 1.00 0.00 C ATOM 382 C PHE A 23 -10.417 -0.753 12.935 1.00 0.00 C ATOM 383 O PHE A 23 -9.452 -0.052 12.621 1.00 0.00 O ATOM 384 CB PHE A 23 -12.267 0.704 13.831 1.00 0.00 C ATOM 385 CG PHE A 23 -13.196 1.124 14.972 1.00 0.00 C ATOM 386 CD1 PHE A 23 -14.260 0.313 15.360 1.00 0.00 C ATOM 387 CD2 PHE A 23 -13.007 2.326 15.652 1.00 0.00 C ATOM 388 CE1 PHE A 23 -15.108 0.698 16.388 1.00 0.00 C ATOM 389 CE2 PHE A 23 -13.856 2.707 16.673 1.00 0.00 C ATOM 390 CZ PHE A 23 -14.903 1.890 17.043 1.00 0.00 C ATOM 0 H PHE A 23 -10.446 1.013 15.499 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.803 -1.288 14.516 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.716 1.581 13.491 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.877 0.366 12.993 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -14.427 -0.627 14.854 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.184 2.969 15.376 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -15.931 0.060 16.675 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.699 3.646 17.182 1.00 0.00 H new ATOM 0 HZ PHE A 23 -15.562 2.186 17.846 1.00 0.00 H new ATOM 400 N ASN A 24 -10.780 -1.848 12.246 1.00 0.00 N ATOM 401 CA ASN A 24 -10.151 -2.247 10.961 1.00 0.00 C ATOM 402 C ASN A 24 -10.644 -1.346 9.805 1.00 0.00 C ATOM 403 O ASN A 24 -11.386 -0.380 10.040 1.00 0.00 O ATOM 404 CB ASN A 24 -10.450 -3.745 10.668 1.00 0.00 C ATOM 405 CG ASN A 24 -9.901 -4.692 11.739 1.00 0.00 C ATOM 406 OD1 ASN A 24 -8.850 -4.448 12.329 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.618 -5.774 12.012 1.00 0.00 N ATOM 0 H ASN A 24 -11.514 -2.484 12.557 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.072 -2.118 11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.528 -3.884 10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.021 -4.012 9.702 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.301 -6.429 12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.486 -5.951 11.507 1.00 0.00 H new ATOM 414 N LEU A 25 -10.218 -1.664 8.558 1.00 0.00 N ATOM 415 CA LEU A 25 -10.548 -0.849 7.367 1.00 0.00 C ATOM 416 C LEU A 25 -12.078 -0.788 7.179 1.00 0.00 C ATOM 417 O LEU A 25 -12.662 0.283 7.276 1.00 0.00 O ATOM 418 CB LEU A 25 -9.798 -1.409 6.107 1.00 0.00 C ATOM 419 CG LEU A 25 -9.768 -0.526 4.793 1.00 0.00 C ATOM 420 CD1 LEU A 25 -11.018 -0.710 3.917 1.00 0.00 C ATOM 421 CD2 LEU A 25 -9.530 0.969 5.106 1.00 0.00 C ATOM 0 H LEU A 25 -9.644 -2.482 8.353 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.204 0.176 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.766 -1.608 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.248 -2.368 5.852 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.919 -0.889 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.938 -0.079 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.099 -1.754 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.905 -0.428 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.517 1.538 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.331 1.339 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.574 1.086 5.617 1.00 0.00 H new ATOM 433 N LEU A 26 -12.732 -1.949 7.019 1.00 0.00 N ATOM 434 CA LEU A 26 -14.204 -2.010 6.850 1.00 0.00 C ATOM 435 C LEU A 26 -14.956 -1.664 8.163 1.00 0.00 C ATOM 436 O LEU A 26 -16.094 -1.196 8.108 1.00 0.00 O ATOM 437 CB LEU A 26 -14.665 -3.399 6.297 1.00 0.00 C ATOM 438 CG LEU A 26 -14.531 -3.638 4.756 1.00 0.00 C ATOM 439 CD1 LEU A 26 -15.314 -2.582 3.946 1.00 0.00 C ATOM 440 CD2 LEU A 26 -13.059 -3.729 4.316 1.00 0.00 C ATOM 0 H LEU A 26 -12.272 -2.859 7.002 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.464 -1.251 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.093 -4.173 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.710 -3.541 6.571 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.984 -4.606 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.197 -2.781 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.370 -2.630 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.928 -1.589 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.011 -3.895 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.547 -2.799 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.575 -4.558 4.833 1.00 0.00 H new ATOM 452 N GLN A 27 -14.307 -1.877 9.326 1.00 0.00 N ATOM 453 CA GLN A 27 -14.944 -1.669 10.649 1.00 0.00 C ATOM 454 C GLN A 27 -15.170 -0.180 10.955 1.00 0.00 C ATOM 455 O GLN A 27 -16.263 0.209 11.371 1.00 0.00 O ATOM 456 CB GLN A 27 -14.118 -2.335 11.776 1.00 0.00 C ATOM 457 CG GLN A 27 -14.060 -3.871 11.688 1.00 0.00 C ATOM 458 CD GLN A 27 -15.430 -4.549 11.773 1.00 0.00 C ATOM 459 OE1 GLN A 27 -16.349 -4.056 12.427 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.571 -5.693 11.121 1.00 0.00 N ATOM 0 H GLN A 27 -13.339 -2.194 9.379 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.923 -2.147 10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.102 -1.941 11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.543 -2.053 12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.583 -4.154 10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.428 -4.248 12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.790 -6.076 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.460 -6.191 11.152 1.00 0.00 H new ATOM 469 N PHE A 28 -14.145 0.664 10.749 1.00 0.00 N ATOM 470 CA PHE A 28 -14.292 2.117 10.975 1.00 0.00 C ATOM 471 C PHE A 28 -15.225 2.717 9.911 1.00 0.00 C ATOM 472 O PHE A 28 -16.027 3.622 10.185 1.00 0.00 O ATOM 473 CB PHE A 28 -12.929 2.845 10.967 1.00 0.00 C ATOM 474 CG PHE A 28 -13.068 4.312 11.368 1.00 0.00 C ATOM 475 CD1 PHE A 28 -13.269 4.660 12.702 1.00 0.00 C ATOM 476 CD2 PHE A 28 -13.068 5.329 10.414 1.00 0.00 C ATOM 477 CE1 PHE A 28 -13.471 5.977 13.070 1.00 0.00 C ATOM 478 CE2 PHE A 28 -13.262 6.646 10.784 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.467 6.967 12.111 1.00 0.00 C ATOM 0 H PHE A 28 -13.220 0.375 10.432 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.728 2.259 11.964 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.245 2.344 11.652 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.488 2.780 9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.267 3.890 13.459 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.915 5.084 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.632 6.230 14.108 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -13.253 7.424 10.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.625 7.996 12.398 1.00 0.00 H new ATOM 489 N LEU A 29 -15.086 2.188 8.700 1.00 0.00 N ATOM 490 CA LEU A 29 -15.886 2.583 7.537 1.00 0.00 C ATOM 491 C LEU A 29 -17.390 2.292 7.752 1.00 0.00 C ATOM 492 O LEU A 29 -18.235 3.073 7.319 1.00 0.00 O ATOM 493 CB LEU A 29 -15.325 1.890 6.260 1.00 0.00 C ATOM 494 CG LEU A 29 -14.205 2.665 5.488 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.088 3.201 6.412 1.00 0.00 C ATOM 496 CD2 LEU A 29 -13.638 1.794 4.346 1.00 0.00 C ATOM 0 H LEU A 29 -14.403 1.460 8.491 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.807 3.662 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.932 0.914 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.154 1.713 5.574 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.670 3.549 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.344 3.728 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.518 3.886 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.614 2.368 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.860 2.347 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.215 0.879 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.438 1.540 3.650 1.00 0.00 H new ATOM 508 N GLN A 30 -17.709 1.183 8.455 1.00 0.00 N ATOM 509 CA GLN A 30 -19.101 0.807 8.757 1.00 0.00 C ATOM 510 C GLN A 30 -19.675 1.703 9.869 1.00 0.00 C ATOM 511 O GLN A 30 -20.876 1.966 9.880 1.00 0.00 O ATOM 512 CB GLN A 30 -19.192 -0.703 9.126 1.00 0.00 C ATOM 513 CG GLN A 30 -18.932 -1.076 10.605 1.00 0.00 C ATOM 514 CD GLN A 30 -20.213 -1.256 11.433 1.00 0.00 C ATOM 515 OE1 GLN A 30 -21.178 -1.851 10.968 1.00 0.00 O ATOM 516 NE2 GLN A 30 -20.258 -0.659 12.606 1.00 0.00 N ATOM 0 H GLN A 30 -17.015 0.532 8.824 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.708 0.963 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -20.186 -1.060 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.478 -1.248 8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.354 -2.000 10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.320 -0.299 11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -19.435 -0.173 12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.115 -0.683 13.158 1.00 0.00 H new ATOM 525 N LYS A 31 -18.809 2.162 10.808 1.00 0.00 N ATOM 526 CA LYS A 31 -19.218 3.104 11.880 1.00 0.00 C ATOM 527 C LYS A 31 -19.788 4.383 11.245 1.00 0.00 C ATOM 528 O LYS A 31 -20.947 4.761 11.485 1.00 0.00 O ATOM 529 CB LYS A 31 -18.015 3.462 12.805 1.00 0.00 C ATOM 530 CG LYS A 31 -17.358 2.261 13.524 1.00 0.00 C ATOM 531 CD LYS A 31 -18.266 1.582 14.573 1.00 0.00 C ATOM 532 CE LYS A 31 -18.606 2.508 15.747 1.00 0.00 C ATOM 533 NZ LYS A 31 -19.371 1.809 16.805 1.00 0.00 N ATOM 0 H LYS A 31 -17.825 1.895 10.844 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.981 2.622 12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.256 3.967 12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.355 4.174 13.557 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.065 1.521 12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.445 2.599 14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.189 1.256 14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.771 0.688 14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.685 2.908 16.171 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.185 3.357 15.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.579 2.472 17.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.262 1.449 16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.809 1.014 17.172 1.00 0.00 H new ATOM 547 N LEU A 32 -18.975 4.985 10.362 1.00 0.00 N ATOM 548 CA LEU A 32 -19.306 6.250 9.706 1.00 0.00 C ATOM 549 C LEU A 32 -20.413 6.058 8.642 1.00 0.00 C ATOM 550 O LEU A 32 -21.195 6.978 8.391 1.00 0.00 O ATOM 551 CB LEU A 32 -18.010 6.906 9.134 1.00 0.00 C ATOM 552 CG LEU A 32 -17.357 6.253 7.868 1.00 0.00 C ATOM 553 CD1 LEU A 32 -17.975 6.792 6.554 1.00 0.00 C ATOM 554 CD2 LEU A 32 -15.820 6.417 7.877 1.00 0.00 C ATOM 0 H LEU A 32 -18.070 4.604 10.086 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.720 6.940 10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.238 7.945 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.263 6.918 9.927 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.576 5.186 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.493 6.313 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.043 6.573 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.825 7.870 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.399 5.953 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.567 7.477 7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.408 5.937 8.765 1.00 0.00 H new ATOM 566 N ALA A 33 -20.467 4.855 8.025 1.00 0.00 N ATOM 567 CA ALA A 33 -21.458 4.533 6.974 1.00 0.00 C ATOM 568 C ALA A 33 -22.869 4.443 7.566 1.00 0.00 C ATOM 569 O ALA A 33 -23.806 5.068 7.061 1.00 0.00 O ATOM 570 CB ALA A 33 -21.102 3.217 6.267 1.00 0.00 C ATOM 0 H ALA A 33 -19.831 4.087 8.240 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.436 5.339 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.846 3.004 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.119 3.307 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.088 2.405 6.994 1.00 0.00 H new ATOM 576 N LYS A 34 -23.000 3.660 8.646 1.00 0.00 N ATOM 577 CA LYS A 34 -24.294 3.407 9.301 1.00 0.00 C ATOM 578 C LYS A 34 -24.871 4.692 9.933 1.00 0.00 C ATOM 579 O LYS A 34 -26.088 4.905 9.896 1.00 0.00 O ATOM 580 CB LYS A 34 -24.173 2.289 10.364 1.00 0.00 C ATOM 581 CG LYS A 34 -23.842 0.893 9.790 1.00 0.00 C ATOM 582 CD LYS A 34 -23.838 -0.209 10.870 1.00 0.00 C ATOM 583 CE LYS A 34 -25.212 -0.411 11.533 1.00 0.00 C ATOM 584 NZ LYS A 34 -25.182 -1.466 12.572 1.00 0.00 N ATOM 0 H LYS A 34 -22.215 3.184 9.090 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.986 3.073 8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.399 2.567 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -25.110 2.228 10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.571 0.639 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.866 0.926 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -23.517 -1.149 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -23.105 0.045 11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -25.539 0.528 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -25.946 -0.674 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -26.128 -1.567 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -24.895 -2.369 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -24.501 -1.204 13.313 1.00 0.00 H new ATOM 598 N GLU A 35 -24.001 5.562 10.501 1.00 0.00 N ATOM 599 CA GLU A 35 -24.453 6.863 11.050 1.00 0.00 C ATOM 600 C GLU A 35 -24.831 7.837 9.908 1.00 0.00 C ATOM 601 O GLU A 35 -25.638 8.743 10.109 1.00 0.00 O ATOM 602 CB GLU A 35 -23.392 7.493 11.994 1.00 0.00 C ATOM 603 CG GLU A 35 -22.081 7.911 11.312 1.00 0.00 C ATOM 604 CD GLU A 35 -21.038 8.512 12.269 1.00 0.00 C ATOM 605 OE1 GLU A 35 -20.480 7.760 13.103 1.00 0.00 O ATOM 606 OE2 GLU A 35 -20.756 9.730 12.186 1.00 0.00 O ATOM 0 H GLU A 35 -22.999 5.391 10.590 1.00 0.00 H new ATOM 0 HA GLU A 35 -25.344 6.675 11.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -23.829 8.369 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.161 6.778 12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.647 7.041 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.306 8.640 10.533 1.00 0.00 H new ATOM 613 N SER A 36 -24.252 7.632 8.702 1.00 0.00 N ATOM 614 CA SER A 36 -24.672 8.364 7.476 1.00 0.00 C ATOM 615 C SER A 36 -26.033 7.850 6.956 1.00 0.00 C ATOM 616 O SER A 36 -26.709 8.535 6.176 1.00 0.00 O ATOM 617 CB SER A 36 -23.608 8.218 6.370 1.00 0.00 C ATOM 618 OG SER A 36 -22.370 8.804 6.746 1.00 0.00 O ATOM 0 H SER A 36 -23.494 6.968 8.548 1.00 0.00 H new ATOM 0 HA SER A 36 -24.777 9.416 7.740 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.457 7.161 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 36 -23.969 8.687 5.455 1.00 0.00 H new ATOM 0 HG SER A 36 -21.868 8.177 7.307 1.00 0.00 H new ATOM 624 N GLY A 37 -26.409 6.639 7.393 1.00 0.00 N ATOM 625 CA GLY A 37 -27.665 6.009 6.990 1.00 0.00 C ATOM 626 C GLY A 37 -27.512 5.130 5.758 1.00 0.00 C ATOM 627 O GLY A 37 -28.381 5.123 4.880 1.00 0.00 O ATOM 0 H GLY A 37 -25.850 6.075 8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -28.046 5.408 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.407 6.782 6.790 1.00 0.00 H new ATOM 631 N PHE A 38 -26.384 4.396 5.696 1.00 0.00 N ATOM 632 CA PHE A 38 -26.117 3.418 4.630 1.00 0.00 C ATOM 633 C PHE A 38 -27.004 2.176 4.855 1.00 0.00 C ATOM 634 O PHE A 38 -26.814 1.447 5.836 1.00 0.00 O ATOM 635 CB PHE A 38 -24.608 3.050 4.608 1.00 0.00 C ATOM 636 CG PHE A 38 -24.183 2.115 3.475 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.471 2.426 2.143 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.488 0.931 3.731 1.00 0.00 C ATOM 639 CE1 PHE A 38 -24.079 1.585 1.112 1.00 0.00 C ATOM 640 CE2 PHE A 38 -23.098 0.095 2.696 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.397 0.420 1.390 1.00 0.00 C ATOM 0 H PHE A 38 -25.634 4.466 6.384 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.361 3.846 3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -24.027 3.969 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -24.350 2.584 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -25.007 3.335 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -23.251 0.663 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -24.309 1.844 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -22.558 -0.814 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 38 -23.098 -0.237 0.587 1.00 0.00 H new ATOM 651 N ASP A 39 -27.991 1.986 3.964 1.00 0.00 N ATOM 652 CA ASP A 39 -28.998 0.906 4.069 1.00 0.00 C ATOM 653 C ASP A 39 -28.348 -0.479 3.966 1.00 0.00 C ATOM 654 O ASP A 39 -28.666 -1.396 4.742 1.00 0.00 O ATOM 655 CB ASP A 39 -30.053 1.039 2.937 1.00 0.00 C ATOM 656 CG ASP A 39 -30.879 2.333 3.003 1.00 0.00 C ATOM 657 OD1 ASP A 39 -30.381 3.400 2.571 1.00 0.00 O ATOM 658 OD2 ASP A 39 -32.038 2.290 3.476 1.00 0.00 O ATOM 0 H ASP A 39 -28.117 2.579 3.144 1.00 0.00 H new ATOM 0 HA ASP A 39 -29.476 1.005 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -29.545 0.993 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -30.729 0.185 2.982 1.00 0.00 H new ATOM 663 N GLY A 40 -27.436 -0.611 2.986 1.00 0.00 N ATOM 664 CA GLY A 40 -26.800 -1.888 2.673 1.00 0.00 C ATOM 665 C GLY A 40 -25.753 -2.304 3.703 1.00 0.00 C ATOM 666 O GLY A 40 -25.465 -1.559 4.648 1.00 0.00 O ATOM 0 H GLY A 40 -27.126 0.162 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -27.565 -2.662 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.330 -1.822 1.692 1.00 0.00 H new ATOM 670 N GLU A 41 -25.184 -3.507 3.507 1.00 0.00 N ATOM 671 CA GLU A 41 -24.104 -4.035 4.355 1.00 0.00 C ATOM 672 C GLU A 41 -22.768 -3.377 3.956 1.00 0.00 C ATOM 673 O GLU A 41 -22.585 -2.985 2.798 1.00 0.00 O ATOM 674 CB GLU A 41 -24.019 -5.584 4.235 1.00 0.00 C ATOM 675 CG GLU A 41 -23.580 -6.127 2.853 1.00 0.00 C ATOM 676 CD GLU A 41 -23.523 -7.665 2.824 1.00 0.00 C ATOM 677 OE1 GLU A 41 -22.565 -8.236 3.385 1.00 0.00 O ATOM 678 OE2 GLU A 41 -24.451 -8.308 2.286 1.00 0.00 O ATOM 0 H GLU A 41 -25.461 -4.139 2.756 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.318 -3.795 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -23.321 -5.951 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.996 -6.003 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.274 -5.776 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.599 -5.724 2.601 1.00 0.00 H new ATOM 685 N LEU A 42 -21.844 -3.282 4.917 1.00 0.00 N ATOM 686 CA LEU A 42 -20.530 -2.630 4.736 1.00 0.00 C ATOM 687 C LEU A 42 -19.621 -3.366 3.719 1.00 0.00 C ATOM 688 O LEU A 42 -18.641 -2.790 3.234 1.00 0.00 O ATOM 689 CB LEU A 42 -19.800 -2.478 6.090 1.00 0.00 C ATOM 690 CG LEU A 42 -19.578 -3.799 6.922 1.00 0.00 C ATOM 691 CD1 LEU A 42 -18.187 -3.815 7.581 1.00 0.00 C ATOM 692 CD2 LEU A 42 -20.689 -4.002 7.984 1.00 0.00 C ATOM 0 H LEU A 42 -21.983 -3.658 5.855 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.735 -1.642 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -18.826 -2.025 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.365 -1.778 6.706 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.633 -4.632 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -18.063 -4.738 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -17.419 -3.757 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -18.093 -2.962 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.501 -4.923 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.691 -3.159 8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -21.658 -4.068 7.489 1.00 0.00 H new ATOM 704 N ALA A 43 -19.931 -4.641 3.420 1.00 0.00 N ATOM 705 CA ALA A 43 -19.247 -5.408 2.346 1.00 0.00 C ATOM 706 C ALA A 43 -19.528 -4.792 0.957 1.00 0.00 C ATOM 707 O ALA A 43 -18.726 -4.933 0.024 1.00 0.00 O ATOM 708 CB ALA A 43 -19.680 -6.881 2.385 1.00 0.00 C ATOM 0 H ALA A 43 -20.654 -5.170 3.907 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.172 -5.356 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.171 -7.431 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.418 -7.312 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -20.758 -6.947 2.238 1.00 0.00 H new ATOM 714 N ASP A 44 -20.676 -4.106 0.854 1.00 0.00 N ATOM 715 CA ASP A 44 -21.121 -3.408 -0.368 1.00 0.00 C ATOM 716 C ASP A 44 -20.546 -1.968 -0.424 1.00 0.00 C ATOM 717 O ASP A 44 -20.515 -1.343 -1.496 1.00 0.00 O ATOM 718 CB ASP A 44 -22.675 -3.379 -0.401 1.00 0.00 C ATOM 719 CG ASP A 44 -23.251 -2.771 -1.691 1.00 0.00 C ATOM 720 OD1 ASP A 44 -23.213 -3.452 -2.747 1.00 0.00 O ATOM 721 OD2 ASP A 44 -23.761 -1.623 -1.658 1.00 0.00 O ATOM 0 H ASP A 44 -21.334 -4.017 1.628 1.00 0.00 H new ATOM 0 HA ASP A 44 -20.750 -3.945 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -23.052 -4.396 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -23.038 -2.808 0.454 1.00 0.00 H new ATOM 726 N LEU A 45 -20.077 -1.462 0.742 1.00 0.00 N ATOM 727 CA LEU A 45 -19.580 -0.077 0.892 1.00 0.00 C ATOM 728 C LEU A 45 -18.340 0.165 -0.007 1.00 0.00 C ATOM 729 O LEU A 45 -17.241 -0.318 0.299 1.00 0.00 O ATOM 730 CB LEU A 45 -19.221 0.204 2.381 1.00 0.00 C ATOM 731 CG LEU A 45 -18.928 1.691 2.737 1.00 0.00 C ATOM 732 CD1 LEU A 45 -20.195 2.564 2.624 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.285 1.819 4.127 1.00 0.00 C ATOM 0 H LEU A 45 -20.034 -2.005 1.604 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.370 0.606 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -20.044 -0.144 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.347 -0.392 2.643 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.210 2.063 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.951 3.595 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.575 2.524 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -20.956 2.191 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.094 2.870 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.960 1.410 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.345 1.268 4.145 1.00 0.00 H new ATOM 745 N THR A 46 -18.547 0.880 -1.127 1.00 0.00 N ATOM 746 CA THR A 46 -17.482 1.204 -2.097 1.00 0.00 C ATOM 747 C THR A 46 -16.721 2.473 -1.665 1.00 0.00 C ATOM 748 O THR A 46 -17.300 3.356 -1.019 1.00 0.00 O ATOM 749 CB THR A 46 -18.077 1.409 -3.530 1.00 0.00 C ATOM 750 OG1 THR A 46 -19.100 2.423 -3.494 1.00 0.00 O ATOM 751 CG2 THR A 46 -18.670 0.101 -4.090 1.00 0.00 C ATOM 0 H THR A 46 -19.461 1.251 -1.387 1.00 0.00 H new ATOM 0 HA THR A 46 -16.787 0.364 -2.122 1.00 0.00 H new ATOM 0 HB THR A 46 -17.265 1.722 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.468 2.549 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.074 0.282 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.889 -0.657 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.467 -0.248 -3.433 1.00 0.00 H new ATOM 759 N ASP A 47 -15.436 2.554 -2.058 1.00 0.00 N ATOM 760 CA ASP A 47 -14.526 3.682 -1.737 1.00 0.00 C ATOM 761 C ASP A 47 -15.090 5.042 -2.192 1.00 0.00 C ATOM 762 O ASP A 47 -14.822 6.068 -1.568 1.00 0.00 O ATOM 763 CB ASP A 47 -13.137 3.434 -2.377 1.00 0.00 C ATOM 764 CG ASP A 47 -13.172 3.328 -3.919 1.00 0.00 C ATOM 765 OD1 ASP A 47 -13.866 2.431 -4.449 1.00 0.00 O ATOM 766 OD2 ASP A 47 -12.498 4.121 -4.604 1.00 0.00 O ATOM 0 H ASP A 47 -14.988 1.828 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.429 3.726 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.466 4.245 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.717 2.515 -1.968 1.00 0.00 H new ATOM 771 N ASP A 48 -15.880 5.011 -3.279 1.00 0.00 N ATOM 772 CA ASP A 48 -16.612 6.184 -3.826 1.00 0.00 C ATOM 773 C ASP A 48 -17.400 6.924 -2.721 1.00 0.00 C ATOM 774 O ASP A 48 -17.368 8.163 -2.621 1.00 0.00 O ATOM 775 CB ASP A 48 -17.583 5.702 -4.936 1.00 0.00 C ATOM 776 CG ASP A 48 -18.404 6.829 -5.595 1.00 0.00 C ATOM 777 OD1 ASP A 48 -19.523 7.132 -5.122 1.00 0.00 O ATOM 778 OD2 ASP A 48 -17.950 7.397 -6.613 1.00 0.00 O ATOM 0 H ASP A 48 -16.036 4.159 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.887 6.884 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.009 5.189 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.269 4.970 -4.509 1.00 0.00 H new ATOM 783 N ILE A 49 -18.090 6.128 -1.893 1.00 0.00 N ATOM 784 CA ILE A 49 -18.917 6.618 -0.782 1.00 0.00 C ATOM 785 C ILE A 49 -18.047 7.293 0.301 1.00 0.00 C ATOM 786 O ILE A 49 -18.373 8.383 0.779 1.00 0.00 O ATOM 787 CB ILE A 49 -19.749 5.431 -0.163 1.00 0.00 C ATOM 788 CG1 ILE A 49 -20.636 4.754 -1.266 1.00 0.00 C ATOM 789 CG2 ILE A 49 -20.603 5.894 1.043 1.00 0.00 C ATOM 790 CD1 ILE A 49 -21.354 3.480 -0.831 1.00 0.00 C ATOM 0 H ILE A 49 -18.089 5.111 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 49 -19.607 7.367 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.045 4.690 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.381 5.475 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.006 4.522 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.161 5.046 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.950 6.295 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.300 6.667 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -21.940 3.090 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -20.620 2.735 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.016 3.703 0.005 1.00 0.00 H new ATOM 802 N LEU A 50 -16.925 6.648 0.656 1.00 0.00 N ATOM 803 CA LEU A 50 -16.037 7.132 1.733 1.00 0.00 C ATOM 804 C LEU A 50 -15.394 8.476 1.360 1.00 0.00 C ATOM 805 O LEU A 50 -15.358 9.405 2.163 1.00 0.00 O ATOM 806 CB LEU A 50 -14.928 6.100 2.077 1.00 0.00 C ATOM 807 CG LEU A 50 -15.387 4.778 2.751 1.00 0.00 C ATOM 808 CD1 LEU A 50 -16.385 5.043 3.884 1.00 0.00 C ATOM 809 CD2 LEU A 50 -15.937 3.766 1.740 1.00 0.00 C ATOM 0 H LEU A 50 -16.607 5.786 0.213 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.662 7.269 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.402 5.847 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.206 6.584 2.735 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.499 4.326 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.685 4.096 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.917 5.672 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.263 5.549 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.244 2.860 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.796 4.196 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.163 3.521 1.013 1.00 0.00 H new ATOM 821 N ILE A 51 -14.899 8.562 0.126 1.00 0.00 N ATOM 822 CA ILE A 51 -14.235 9.769 -0.385 1.00 0.00 C ATOM 823 C ILE A 51 -15.211 10.962 -0.362 1.00 0.00 C ATOM 824 O ILE A 51 -14.848 12.035 0.101 1.00 0.00 O ATOM 825 CB ILE A 51 -13.595 9.511 -1.811 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.186 8.823 -1.676 1.00 0.00 C ATOM 827 CG2 ILE A 51 -13.481 10.800 -2.664 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.123 7.576 -0.796 1.00 0.00 C ATOM 0 H ILE A 51 -14.945 7.800 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.403 10.026 0.271 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.275 8.840 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.839 8.555 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.484 9.557 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.035 10.559 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -14.474 11.223 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.854 11.525 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.103 7.193 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.430 7.831 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -12.791 6.814 -1.197 1.00 0.00 H new ATOM 840 N TYR A 52 -16.467 10.729 -0.780 1.00 0.00 N ATOM 841 CA TYR A 52 -17.525 11.758 -0.739 1.00 0.00 C ATOM 842 C TYR A 52 -17.814 12.206 0.717 1.00 0.00 C ATOM 843 O TYR A 52 -17.672 13.388 1.051 1.00 0.00 O ATOM 844 CB TYR A 52 -18.820 11.233 -1.406 1.00 0.00 C ATOM 845 CG TYR A 52 -19.979 12.255 -1.432 1.00 0.00 C ATOM 846 CD1 TYR A 52 -19.865 13.445 -2.155 1.00 0.00 C ATOM 847 CD2 TYR A 52 -21.176 12.031 -0.740 1.00 0.00 C ATOM 848 CE1 TYR A 52 -20.900 14.363 -2.189 1.00 0.00 C ATOM 849 CE2 TYR A 52 -22.209 12.951 -0.771 1.00 0.00 C ATOM 850 CZ TYR A 52 -22.067 14.111 -1.496 1.00 0.00 C ATOM 851 OH TYR A 52 -23.099 15.024 -1.541 1.00 0.00 O ATOM 0 H TYR A 52 -16.777 9.832 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 52 -17.170 12.625 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -18.592 10.933 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -19.151 10.339 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.954 13.652 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -21.295 11.121 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -20.795 15.276 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -23.123 12.759 -0.228 1.00 0.00 H new ATOM 0 HH TYR A 52 -23.849 14.697 -1.002 1.00 0.00 H new ATOM 861 N HIS A 53 -18.162 11.223 1.573 1.00 0.00 N ATOM 862 CA HIS A 53 -18.686 11.468 2.942 1.00 0.00 C ATOM 863 C HIS A 53 -17.640 12.132 3.854 1.00 0.00 C ATOM 864 O HIS A 53 -17.961 13.052 4.616 1.00 0.00 O ATOM 865 CB HIS A 53 -19.219 10.151 3.584 1.00 0.00 C ATOM 866 CG HIS A 53 -20.536 9.677 3.025 1.00 0.00 C ATOM 867 ND1 HIS A 53 -21.578 9.249 3.819 1.00 0.00 N ATOM 868 CD2 HIS A 53 -20.966 9.530 1.750 1.00 0.00 C ATOM 869 CE1 HIS A 53 -22.584 8.869 3.057 1.00 0.00 C ATOM 870 NE2 HIS A 53 -22.236 9.031 1.800 1.00 0.00 N ATOM 0 H HIS A 53 -18.089 10.233 1.338 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.518 12.165 2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -18.475 9.366 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -19.327 10.302 4.658 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -21.572 9.229 4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -20.407 9.765 0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -23.533 8.489 3.406 1.00 0.00 H new ATOM 879 N LEU A 54 -16.397 11.668 3.763 1.00 0.00 N ATOM 880 CA LEU A 54 -15.297 12.187 4.589 1.00 0.00 C ATOM 881 C LEU A 54 -14.775 13.526 4.044 1.00 0.00 C ATOM 882 O LEU A 54 -14.264 14.315 4.806 1.00 0.00 O ATOM 883 CB LEU A 54 -14.153 11.146 4.741 1.00 0.00 C ATOM 884 CG LEU A 54 -14.400 9.977 5.743 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.640 10.496 7.174 1.00 0.00 C ATOM 886 CD2 LEU A 54 -15.529 9.049 5.277 1.00 0.00 C ATOM 0 H LEU A 54 -16.119 10.926 3.121 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.696 12.372 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.951 10.716 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.251 11.674 5.050 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.489 9.379 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.808 9.652 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.767 11.057 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.515 11.147 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.667 8.249 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.454 9.619 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.270 8.618 4.310 1.00 0.00 H new ATOM 898 N LYS A 55 -14.912 13.783 2.730 1.00 0.00 N ATOM 899 CA LYS A 55 -14.589 15.109 2.151 1.00 0.00 C ATOM 900 C LYS A 55 -15.645 16.160 2.536 1.00 0.00 C ATOM 901 O LYS A 55 -15.345 17.354 2.536 1.00 0.00 O ATOM 902 CB LYS A 55 -14.406 15.009 0.610 1.00 0.00 C ATOM 903 CG LYS A 55 -12.923 14.955 0.134 1.00 0.00 C ATOM 904 CD LYS A 55 -12.709 14.212 -1.216 1.00 0.00 C ATOM 905 CE LYS A 55 -13.807 14.488 -2.254 1.00 0.00 C ATOM 906 NZ LYS A 55 -13.384 14.131 -3.633 1.00 0.00 N ATOM 0 H LYS A 55 -15.241 13.098 2.050 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.641 15.441 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.921 14.117 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.892 15.866 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.548 15.974 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.325 14.466 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.745 14.505 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.662 13.140 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.701 13.922 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.077 15.543 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.224 14.024 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.776 14.883 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.856 13.235 -3.613 1.00 0.00 H new ATOM 920 N MET A 56 -16.880 15.709 2.851 1.00 0.00 N ATOM 921 CA MET A 56 -17.938 16.599 3.386 1.00 0.00 C ATOM 922 C MET A 56 -17.468 17.285 4.691 1.00 0.00 C ATOM 923 O MET A 56 -17.753 18.472 4.907 1.00 0.00 O ATOM 924 CB MET A 56 -19.274 15.845 3.628 1.00 0.00 C ATOM 925 CG MET A 56 -19.920 15.230 2.373 1.00 0.00 C ATOM 926 SD MET A 56 -21.631 14.688 2.635 1.00 0.00 S ATOM 927 CE MET A 56 -21.492 13.643 4.085 1.00 0.00 C ATOM 0 H MET A 56 -17.169 14.737 2.745 1.00 0.00 H new ATOM 0 HA MET A 56 -18.124 17.361 2.629 1.00 0.00 H new ATOM 0 HB2 MET A 56 -19.097 15.050 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 56 -19.985 16.536 4.081 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.898 15.963 1.566 1.00 0.00 H new ATOM 0 HG3 MET A 56 -19.323 14.379 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 56 -22.002 12.697 3.902 1.00 0.00 H new ATOM 0 HE2 MET A 56 -20.440 13.453 4.297 1.00 0.00 H new ATOM 0 HE3 MET A 56 -21.950 14.143 4.939 1.00 0.00 H new ATOM 937 N ARG A 57 -16.737 16.536 5.549 1.00 0.00 N ATOM 938 CA ARG A 57 -16.135 17.104 6.768 1.00 0.00 C ATOM 939 C ARG A 57 -14.757 17.733 6.444 1.00 0.00 C ATOM 940 O ARG A 57 -14.452 18.832 6.903 1.00 0.00 O ATOM 941 CB ARG A 57 -16.024 16.044 7.922 1.00 0.00 C ATOM 942 CG ARG A 57 -15.002 14.893 7.707 1.00 0.00 C ATOM 943 CD ARG A 57 -14.778 14.019 8.962 1.00 0.00 C ATOM 944 NE ARG A 57 -15.984 13.284 9.366 1.00 0.00 N ATOM 945 CZ ARG A 57 -16.242 12.823 10.599 1.00 0.00 C ATOM 946 NH1 ARG A 57 -15.460 13.143 11.627 1.00 0.00 N ATOM 947 NH2 ARG A 57 -17.302 12.079 10.804 1.00 0.00 N ATOM 0 H ARG A 57 -16.553 15.542 5.417 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.798 17.890 7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.761 16.567 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.009 15.602 8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.348 14.259 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.048 15.319 7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.974 13.309 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.451 14.652 9.787 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.686 13.109 8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.651 13.747 11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.670 12.784 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.925 11.854 10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.504 11.725 11.739 1.00 0.00 H new ATOM 961 N ASP A 58 -13.962 17.048 5.592 1.00 0.00 N ATOM 962 CA ASP A 58 -12.512 17.345 5.386 1.00 0.00 C ATOM 963 C ASP A 58 -12.289 18.614 4.521 1.00 0.00 C ATOM 964 O ASP A 58 -11.176 19.144 4.437 1.00 0.00 O ATOM 965 CB ASP A 58 -11.801 16.103 4.770 1.00 0.00 C ATOM 966 CG ASP A 58 -10.264 16.140 4.865 1.00 0.00 C ATOM 967 OD1 ASP A 58 -9.625 16.740 3.988 1.00 0.00 O ATOM 968 OD2 ASP A 58 -9.688 15.590 5.840 1.00 0.00 O ATOM 0 H ASP A 58 -14.300 16.272 5.024 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.070 17.558 6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.163 15.206 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.087 16.019 3.721 1.00 0.00 H new ATOM 973 N SER A 59 -13.365 19.105 3.882 1.00 0.00 N ATOM 974 CA SER A 59 -13.375 20.432 3.220 1.00 0.00 C ATOM 975 C SER A 59 -13.242 21.562 4.280 1.00 0.00 C ATOM 976 O SER A 59 -12.759 22.663 3.982 1.00 0.00 O ATOM 977 CB SER A 59 -14.670 20.584 2.390 1.00 0.00 C ATOM 978 OG SER A 59 -15.811 20.243 3.156 1.00 0.00 O ATOM 0 H SER A 59 -14.249 18.602 3.807 1.00 0.00 H new ATOM 0 HA SER A 59 -12.523 20.512 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.760 21.611 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.617 19.946 1.508 1.00 0.00 H new ATOM 0 HG SER A 59 -15.963 19.276 3.104 1.00 0.00 H new ATOM 984 N ALA A 60 -13.710 21.242 5.508 1.00 0.00 N ATOM 985 CA ALA A 60 -13.489 22.023 6.742 1.00 0.00 C ATOM 986 C ALA A 60 -13.999 23.483 6.638 1.00 0.00 C ATOM 987 O ALA A 60 -15.218 23.718 6.738 1.00 0.00 O ATOM 988 CB ALA A 60 -12.015 21.923 7.210 1.00 0.00 C ATOM 0 H ALA A 60 -14.270 20.405 5.670 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.102 21.571 7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.882 22.508 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.766 20.881 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.359 22.310 6.431 1.00 0.00 H new ATOM 994 N LYS A 61 -13.066 24.435 6.369 1.00 0.00 N ATOM 995 CA LYS A 61 -13.276 25.907 6.502 1.00 0.00 C ATOM 996 C LYS A 61 -13.485 26.309 7.986 1.00 0.00 C ATOM 997 O LYS A 61 -12.747 27.138 8.525 1.00 0.00 O ATOM 998 CB LYS A 61 -14.418 26.445 5.555 1.00 0.00 C ATOM 999 CG LYS A 61 -13.926 27.143 4.258 1.00 0.00 C ATOM 1000 CD LYS A 61 -12.927 26.298 3.438 1.00 0.00 C ATOM 1001 CE LYS A 61 -12.398 27.049 2.204 1.00 0.00 C ATOM 1002 NZ LYS A 61 -11.358 26.275 1.477 1.00 0.00 N ATOM 0 H LYS A 61 -12.127 24.199 6.047 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.364 26.398 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.062 25.610 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.033 27.149 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.788 27.378 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.456 28.090 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.089 26.013 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.412 25.376 3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.227 27.264 1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.983 28.008 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.032 26.820 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.555 26.092 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.759 25.371 1.156 1.00 0.00 H new ATOM 1016 N ASP A 62 -14.510 25.725 8.606 1.00 0.00 N ATOM 1017 CA ASP A 62 -14.705 25.714 10.063 1.00 0.00 C ATOM 1018 C ASP A 62 -15.267 24.335 10.447 1.00 0.00 C ATOM 1019 O ASP A 62 -16.422 24.029 10.126 1.00 0.00 O ATOM 1020 CB ASP A 62 -15.663 26.850 10.498 1.00 0.00 C ATOM 1021 CG ASP A 62 -15.974 26.838 12.011 1.00 0.00 C ATOM 1022 OD1 ASP A 62 -15.133 27.306 12.803 1.00 0.00 O ATOM 1023 OD2 ASP A 62 -17.058 26.357 12.408 1.00 0.00 O ATOM 0 H ASP A 62 -15.247 25.234 8.101 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.758 25.887 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.222 27.810 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.596 26.763 9.941 1.00 0.00 H new ATOM 1028 N ALA A 63 -14.428 23.493 11.082 1.00 0.00 N ATOM 1029 CA ALA A 63 -14.799 22.116 11.457 1.00 0.00 C ATOM 1030 C ALA A 63 -13.829 21.560 12.517 1.00 0.00 C ATOM 1031 O ALA A 63 -12.689 22.027 12.625 1.00 0.00 O ATOM 1032 CB ALA A 63 -14.834 21.226 10.206 1.00 0.00 C ATOM 0 H ALA A 63 -13.477 23.748 11.348 1.00 0.00 H new ATOM 0 HA ALA A 63 -15.795 22.124 11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.109 20.210 10.490 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.568 21.617 9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.850 21.218 9.737 1.00 0.00 H new ATOM 1038 N VAL A 64 -14.291 20.537 13.273 1.00 0.00 N ATOM 1039 CA VAL A 64 -13.559 19.982 14.431 1.00 0.00 C ATOM 1040 C VAL A 64 -12.286 19.206 13.990 1.00 0.00 C ATOM 1041 O VAL A 64 -11.300 19.130 14.735 1.00 0.00 O ATOM 1042 CB VAL A 64 -14.521 19.072 15.302 1.00 0.00 C ATOM 1043 CG1 VAL A 64 -14.962 17.791 14.549 1.00 0.00 C ATOM 1044 CG2 VAL A 64 -13.905 18.736 16.680 1.00 0.00 C ATOM 0 H VAL A 64 -15.182 20.074 13.096 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.221 20.814 15.048 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.422 19.659 15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.620 17.202 15.188 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.494 18.069 13.639 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.083 17.201 14.290 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.596 18.111 17.245 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.966 18.201 16.538 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.718 19.659 17.230 1.00 0.00 H new ATOM 1054 N ILE A 65 -12.316 18.646 12.763 1.00 0.00 N ATOM 1055 CA ILE A 65 -11.168 17.919 12.175 1.00 0.00 C ATOM 1056 C ILE A 65 -10.186 18.907 11.481 1.00 0.00 C ATOM 1057 O ILE A 65 -10.589 20.022 11.124 1.00 0.00 O ATOM 1058 CB ILE A 65 -11.605 16.771 11.158 1.00 0.00 C ATOM 1059 CG1 ILE A 65 -12.115 17.317 9.779 1.00 0.00 C ATOM 1060 CG2 ILE A 65 -12.655 15.838 11.806 1.00 0.00 C ATOM 1061 CD1 ILE A 65 -13.439 18.043 9.820 1.00 0.00 C ATOM 0 H ILE A 65 -13.132 18.684 12.153 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.662 17.428 13.006 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.704 16.197 10.939 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -11.362 17.993 9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -12.200 16.481 9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -12.940 15.062 11.096 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.230 15.376 12.697 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.536 16.418 12.082 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.701 18.380 8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -14.212 17.369 10.190 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -13.361 18.905 10.483 1.00 0.00 H new ATOM 1073 N PRO A 66 -8.870 18.512 11.326 1.00 0.00 N ATOM 1074 CA PRO A 66 -7.872 19.253 10.509 1.00 0.00 C ATOM 1075 C PRO A 66 -8.395 19.635 9.105 1.00 0.00 C ATOM 1076 O PRO A 66 -8.342 20.804 8.707 1.00 0.00 O ATOM 1077 CB PRO A 66 -6.692 18.252 10.394 1.00 0.00 C ATOM 1078 CG PRO A 66 -6.765 17.453 11.651 1.00 0.00 C ATOM 1079 CD PRO A 66 -8.239 17.341 11.992 1.00 0.00 C ATOM 0 HA PRO A 66 -7.608 20.205 10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.792 17.618 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.737 18.770 10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.321 16.467 11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.215 17.941 12.456 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.660 16.404 11.628 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.399 17.365 13.070 1.00 0.00 H new ATOM 1087 N GLY A 67 -8.921 18.621 8.388 1.00 0.00 N ATOM 1088 CA GLY A 67 -9.429 18.798 7.033 1.00 0.00 C ATOM 1089 C GLY A 67 -8.328 19.162 6.044 1.00 0.00 C ATOM 1090 O GLY A 67 -8.254 20.307 5.589 1.00 0.00 O ATOM 0 H GLY A 67 -9.001 17.666 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.917 17.879 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.188 19.580 7.032 1.00 0.00 H new ATOM 1094 N LEU A 68 -7.455 18.188 5.706 1.00 0.00 N ATOM 1095 CA LEU A 68 -6.180 18.471 4.999 1.00 0.00 C ATOM 1096 C LEU A 68 -5.819 17.372 3.974 1.00 0.00 C ATOM 1097 O LEU A 68 -4.649 16.978 3.878 1.00 0.00 O ATOM 1098 CB LEU A 68 -5.021 18.660 6.045 1.00 0.00 C ATOM 1099 CG LEU A 68 -5.090 19.935 6.950 1.00 0.00 C ATOM 1100 CD1 LEU A 68 -3.966 19.945 8.004 1.00 0.00 C ATOM 1101 CD2 LEU A 68 -5.069 21.231 6.100 1.00 0.00 C ATOM 0 H LEU A 68 -7.607 17.200 5.909 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.312 19.394 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.002 17.784 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.075 18.678 5.504 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.040 19.901 7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.047 20.845 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.057 19.066 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.998 19.931 7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.118 22.099 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.149 21.269 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.926 21.238 5.426 1.00 0.00 H new ATOM 1113 N GLN A 69 -6.803 16.880 3.188 1.00 0.00 N ATOM 1114 CA GLN A 69 -6.505 15.993 2.036 1.00 0.00 C ATOM 1115 C GLN A 69 -5.990 16.852 0.881 1.00 0.00 C ATOM 1116 O GLN A 69 -6.482 17.970 0.669 1.00 0.00 O ATOM 1117 CB GLN A 69 -7.722 15.100 1.614 1.00 0.00 C ATOM 1118 CG GLN A 69 -8.960 15.777 0.963 1.00 0.00 C ATOM 1119 CD GLN A 69 -8.939 15.817 -0.573 1.00 0.00 C ATOM 1120 OE1 GLN A 69 -9.352 14.869 -1.246 1.00 0.00 O ATOM 1121 NE2 GLN A 69 -8.493 16.926 -1.127 1.00 0.00 N ATOM 0 H GLN A 69 -7.795 17.076 3.325 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.734 15.283 2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.353 14.348 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.065 14.570 2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.857 15.249 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.038 16.797 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.159 17.691 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.482 17.020 -2.143 1.00 0.00 H new ATOM 1130 N LYS A 70 -4.990 16.349 0.152 1.00 0.00 N ATOM 1131 CA LYS A 70 -4.308 17.121 -0.896 1.00 0.00 C ATOM 1132 C LYS A 70 -4.845 16.686 -2.269 1.00 0.00 C ATOM 1133 O LYS A 70 -4.464 15.629 -2.792 1.00 0.00 O ATOM 1134 CB LYS A 70 -2.772 16.937 -0.762 1.00 0.00 C ATOM 1135 CG LYS A 70 -1.930 17.985 -1.513 1.00 0.00 C ATOM 1136 CD LYS A 70 -0.428 17.891 -1.172 1.00 0.00 C ATOM 1137 CE LYS A 70 0.406 18.964 -1.886 1.00 0.00 C ATOM 1138 NZ LYS A 70 1.839 18.900 -1.516 1.00 0.00 N ATOM 0 H LYS A 70 -4.631 15.402 0.269 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.510 18.187 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.507 16.968 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.505 15.946 -1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.064 17.853 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.293 18.983 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.297 17.991 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.057 16.904 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.306 18.841 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.013 19.950 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.362 19.643 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.940 19.043 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.223 17.969 -1.775 1.00 0.00 H new ATOM 1152 N ASP A 71 -5.764 17.501 -2.814 1.00 0.00 N ATOM 1153 CA ASP A 71 -6.544 17.179 -4.024 1.00 0.00 C ATOM 1154 C ASP A 71 -5.640 17.039 -5.268 1.00 0.00 C ATOM 1155 O ASP A 71 -5.101 18.036 -5.770 1.00 0.00 O ATOM 1156 CB ASP A 71 -7.618 18.277 -4.252 1.00 0.00 C ATOM 1157 CG ASP A 71 -8.567 17.975 -5.430 1.00 0.00 C ATOM 1158 OD1 ASP A 71 -9.515 17.187 -5.246 1.00 0.00 O ATOM 1159 OD2 ASP A 71 -8.377 18.530 -6.536 1.00 0.00 O ATOM 0 H ASP A 71 -5.990 18.415 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.031 16.216 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.207 18.393 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.120 19.230 -4.432 1.00 0.00 H new ATOM 1164 N TYR A 72 -5.472 15.788 -5.736 1.00 0.00 N ATOM 1165 CA TYR A 72 -4.709 15.455 -6.957 1.00 0.00 C ATOM 1166 C TYR A 72 -5.415 14.330 -7.728 1.00 0.00 C ATOM 1167 O TYR A 72 -5.584 13.223 -7.204 1.00 0.00 O ATOM 1168 CB TYR A 72 -3.244 15.048 -6.625 1.00 0.00 C ATOM 1169 CG TYR A 72 -2.305 16.242 -6.437 1.00 0.00 C ATOM 1170 CD1 TYR A 72 -1.849 16.966 -7.542 1.00 0.00 C ATOM 1171 CD2 TYR A 72 -1.883 16.653 -5.178 1.00 0.00 C ATOM 1172 CE1 TYR A 72 -1.005 18.051 -7.394 1.00 0.00 C ATOM 1173 CE2 TYR A 72 -1.037 17.734 -5.030 1.00 0.00 C ATOM 1174 CZ TYR A 72 -0.600 18.429 -6.132 1.00 0.00 C ATOM 1175 OH TYR A 72 0.256 19.503 -5.974 1.00 0.00 O ATOM 0 H TYR A 72 -5.866 14.969 -5.273 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.669 16.348 -7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -3.240 14.446 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.860 14.417 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.163 16.672 -8.533 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.222 16.119 -4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.666 18.598 -8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.717 18.035 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 72 0.441 19.636 -5.021 1.00 0.00 H new ATOM 1185 N GLU A 73 -5.825 14.646 -8.959 1.00 0.00 N ATOM 1186 CA GLU A 73 -6.467 13.719 -9.885 1.00 0.00 C ATOM 1187 C GLU A 73 -6.378 14.317 -11.294 1.00 0.00 C ATOM 1188 O GLU A 73 -6.880 15.424 -11.534 1.00 0.00 O ATOM 1189 CB GLU A 73 -7.948 13.484 -9.484 1.00 0.00 C ATOM 1190 CG GLU A 73 -8.724 12.542 -10.419 1.00 0.00 C ATOM 1191 CD GLU A 73 -10.212 12.448 -10.047 1.00 0.00 C ATOM 1192 OE1 GLU A 73 -11.014 13.260 -10.547 1.00 0.00 O ATOM 1193 OE2 GLU A 73 -10.588 11.567 -9.246 1.00 0.00 O ATOM 0 H GLU A 73 -5.715 15.583 -9.347 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.963 12.753 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.976 13.076 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.459 14.446 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.630 12.894 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.279 11.548 -10.381 1.00 0.00 H new ATOM 1200 N GLU A 74 -5.714 13.599 -12.214 1.00 0.00 N ATOM 1201 CA GLU A 74 -5.563 14.038 -13.606 1.00 0.00 C ATOM 1202 C GLU A 74 -5.181 12.856 -14.502 1.00 0.00 C ATOM 1203 O GLU A 74 -4.693 11.817 -14.032 1.00 0.00 O ATOM 1204 CB GLU A 74 -4.502 15.175 -13.730 1.00 0.00 C ATOM 1205 CG GLU A 74 -3.068 14.764 -13.337 1.00 0.00 C ATOM 1206 CD GLU A 74 -2.045 15.899 -13.509 1.00 0.00 C ATOM 1207 OE1 GLU A 74 -1.929 16.745 -12.602 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -1.360 15.953 -14.556 1.00 0.00 O ATOM 0 H GLU A 74 -5.270 12.703 -12.013 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.523 14.435 -13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.493 15.535 -14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.811 16.011 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.063 14.433 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.762 13.912 -13.944 1.00 0.00 H new ATOM 1215 N ASP A 75 -5.417 13.056 -15.796 1.00 0.00 N ATOM 1216 CA ASP A 75 -5.105 12.102 -16.863 1.00 0.00 C ATOM 1217 C ASP A 75 -5.145 12.863 -18.200 1.00 0.00 C ATOM 1218 O ASP A 75 -5.485 12.302 -19.234 1.00 0.00 O ATOM 1219 CB ASP A 75 -6.104 10.900 -16.851 1.00 0.00 C ATOM 1220 CG ASP A 75 -7.573 11.300 -17.109 1.00 0.00 C ATOM 1221 OD1 ASP A 75 -8.215 11.874 -16.204 1.00 0.00 O ATOM 1222 OD2 ASP A 75 -8.090 11.054 -18.219 1.00 0.00 O ATOM 0 H ASP A 75 -5.845 13.914 -16.145 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.113 11.676 -16.713 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.797 10.178 -17.608 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.039 10.397 -15.886 1.00 0.00 H new ATOM 1227 N PHE A 76 -4.755 14.150 -18.153 1.00 0.00 N ATOM 1228 CA PHE A 76 -4.833 15.077 -19.301 1.00 0.00 C ATOM 1229 C PHE A 76 -3.977 14.574 -20.483 1.00 0.00 C ATOM 1230 O PHE A 76 -4.440 14.566 -21.625 1.00 0.00 O ATOM 1231 CB PHE A 76 -4.394 16.497 -18.850 1.00 0.00 C ATOM 1232 CG PHE A 76 -4.431 17.576 -19.941 1.00 0.00 C ATOM 1233 CD1 PHE A 76 -5.647 18.067 -20.424 1.00 0.00 C ATOM 1234 CD2 PHE A 76 -3.251 18.102 -20.483 1.00 0.00 C ATOM 1235 CE1 PHE A 76 -5.682 19.046 -21.409 1.00 0.00 C ATOM 1236 CE2 PHE A 76 -3.292 19.081 -21.466 1.00 0.00 C ATOM 1237 CZ PHE A 76 -4.506 19.550 -21.929 1.00 0.00 C ATOM 0 H PHE A 76 -4.373 14.581 -17.311 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.864 15.122 -19.651 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.036 16.813 -18.028 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.379 16.437 -18.456 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.573 17.680 -20.026 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.296 17.741 -20.131 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.631 19.414 -21.769 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.372 19.477 -21.870 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.535 20.309 -22.696 1.00 0.00 H new ATOM 1247 N LYS A 77 -2.751 14.108 -20.178 1.00 0.00 N ATOM 1248 CA LYS A 77 -1.824 13.555 -21.192 1.00 0.00 C ATOM 1249 C LYS A 77 -2.409 12.260 -21.791 1.00 0.00 C ATOM 1250 O LYS A 77 -2.368 12.039 -23.013 1.00 0.00 O ATOM 1251 CB LYS A 77 -0.429 13.264 -20.576 1.00 0.00 C ATOM 1252 CG LYS A 77 0.609 12.735 -21.599 1.00 0.00 C ATOM 1253 CD LYS A 77 1.975 12.401 -20.968 1.00 0.00 C ATOM 1254 CE LYS A 77 2.986 11.880 -22.005 1.00 0.00 C ATOM 1255 NZ LYS A 77 4.294 11.534 -21.392 1.00 0.00 N ATOM 0 H LYS A 77 -2.374 14.103 -19.230 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.703 14.298 -21.980 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.045 14.178 -20.122 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.541 12.533 -19.775 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.211 11.841 -22.080 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.751 13.481 -22.381 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.378 13.292 -20.487 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.839 11.652 -20.188 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.575 11.000 -22.500 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.137 12.637 -22.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.942 11.188 -22.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.701 12.379 -20.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.156 10.793 -20.676 1.00 0.00 H new ATOM 1269 N THR A 78 -2.959 11.420 -20.888 1.00 0.00 N ATOM 1270 CA THR A 78 -3.641 10.163 -21.241 1.00 0.00 C ATOM 1271 C THR A 78 -4.834 10.443 -22.178 1.00 0.00 C ATOM 1272 O THR A 78 -5.069 9.710 -23.130 1.00 0.00 O ATOM 1273 CB THR A 78 -4.139 9.428 -19.949 1.00 0.00 C ATOM 1274 OG1 THR A 78 -3.070 9.379 -18.991 1.00 0.00 O ATOM 1275 CG2 THR A 78 -4.634 7.997 -20.235 1.00 0.00 C ATOM 0 H THR A 78 -2.940 11.600 -19.884 1.00 0.00 H new ATOM 0 HA THR A 78 -2.928 9.521 -21.759 1.00 0.00 H new ATOM 0 HB THR A 78 -4.985 9.992 -19.557 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.378 8.922 -18.181 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.967 7.535 -19.306 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.464 8.033 -20.940 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.821 7.409 -20.662 1.00 0.00 H new ATOM 1283 N ALA A 79 -5.526 11.563 -21.916 1.00 0.00 N ATOM 1284 CA ALA A 79 -6.714 11.996 -22.662 1.00 0.00 C ATOM 1285 C ALA A 79 -6.336 12.485 -24.074 1.00 0.00 C ATOM 1286 O ALA A 79 -7.110 12.314 -25.013 1.00 0.00 O ATOM 1287 CB ALA A 79 -7.454 13.095 -21.880 1.00 0.00 C ATOM 0 H ALA A 79 -5.269 12.204 -21.165 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.380 11.141 -22.778 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.334 13.411 -22.440 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.762 12.706 -20.909 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.791 13.948 -21.735 1.00 0.00 H new ATOM 1293 N LEU A 80 -5.135 13.087 -24.209 1.00 0.00 N ATOM 1294 CA LEU A 80 -4.618 13.563 -25.511 1.00 0.00 C ATOM 1295 C LEU A 80 -4.365 12.378 -26.471 1.00 0.00 C ATOM 1296 O LEU A 80 -4.861 12.374 -27.607 1.00 0.00 O ATOM 1297 CB LEU A 80 -3.324 14.440 -25.333 1.00 0.00 C ATOM 1298 CG LEU A 80 -3.527 15.994 -25.329 1.00 0.00 C ATOM 1299 CD1 LEU A 80 -4.173 16.481 -26.644 1.00 0.00 C ATOM 1300 CD2 LEU A 80 -4.334 16.469 -24.103 1.00 0.00 C ATOM 0 H LEU A 80 -4.502 13.256 -23.427 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.382 14.200 -25.957 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.846 14.156 -24.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.629 14.189 -26.134 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.537 16.443 -25.256 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.300 17.563 -26.608 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.530 16.219 -27.484 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.146 16.006 -26.769 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.450 17.552 -24.141 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.317 15.998 -24.110 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.806 16.193 -23.190 1.00 0.00 H new ATOM 1312 N LEU A 81 -3.610 11.370 -26.001 1.00 0.00 N ATOM 1313 CA LEU A 81 -3.266 10.187 -26.824 1.00 0.00 C ATOM 1314 C LEU A 81 -4.504 9.294 -27.065 1.00 0.00 C ATOM 1315 O LEU A 81 -4.621 8.647 -28.110 1.00 0.00 O ATOM 1316 CB LEU A 81 -2.065 9.414 -26.187 1.00 0.00 C ATOM 1317 CG LEU A 81 -2.208 8.923 -24.693 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -2.916 7.548 -24.580 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -0.839 8.912 -23.956 1.00 0.00 C ATOM 0 H LEU A 81 -3.224 11.346 -25.057 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.942 10.521 -27.810 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.863 8.541 -26.808 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.186 10.056 -26.245 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.850 9.650 -24.195 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.987 7.260 -23.531 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.917 7.618 -25.005 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.342 6.798 -25.124 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.980 8.568 -22.931 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.153 8.241 -24.473 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.423 9.919 -23.947 1.00 0.00 H new ATOM 1331 N ARG A 82 -5.430 9.302 -26.091 1.00 0.00 N ATOM 1332 CA ARG A 82 -6.717 8.570 -26.162 1.00 0.00 C ATOM 1333 C ARG A 82 -7.658 9.229 -27.192 1.00 0.00 C ATOM 1334 O ARG A 82 -8.443 8.547 -27.859 1.00 0.00 O ATOM 1335 CB ARG A 82 -7.365 8.561 -24.756 1.00 0.00 C ATOM 1336 CG ARG A 82 -8.659 7.735 -24.574 1.00 0.00 C ATOM 1337 CD ARG A 82 -9.185 7.838 -23.132 1.00 0.00 C ATOM 1338 NE ARG A 82 -10.360 6.985 -22.867 1.00 0.00 N ATOM 1339 CZ ARG A 82 -10.575 6.316 -21.725 1.00 0.00 C ATOM 1340 NH1 ARG A 82 -9.659 6.307 -20.758 1.00 0.00 N ATOM 1341 NH2 ARG A 82 -11.707 5.664 -21.550 1.00 0.00 N ATOM 0 H ARG A 82 -5.310 9.821 -25.221 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.538 7.545 -26.485 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.626 8.189 -24.047 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.582 9.593 -24.479 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.421 8.090 -25.268 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.465 6.691 -24.820 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.386 7.565 -22.443 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.446 8.876 -22.923 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.058 6.898 -23.605 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.782 6.813 -20.882 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.835 5.794 -19.894 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.417 5.669 -22.282 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.873 5.154 -20.682 1.00 0.00 H new ATOM 1355 N ALA A 83 -7.543 10.566 -27.323 1.00 0.00 N ATOM 1356 CA ALA A 83 -8.304 11.364 -28.307 1.00 0.00 C ATOM 1357 C ALA A 83 -7.826 11.065 -29.743 1.00 0.00 C ATOM 1358 O ALA A 83 -8.615 11.087 -30.692 1.00 0.00 O ATOM 1359 CB ALA A 83 -8.166 12.864 -27.993 1.00 0.00 C ATOM 0 H ALA A 83 -6.916 11.126 -26.746 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.356 11.087 -28.237 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.731 13.442 -28.724 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.554 13.064 -26.994 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.115 13.150 -28.038 1.00 0.00 H new ATOM 1365 N ARG A 84 -6.512 10.797 -29.884 1.00 0.00 N ATOM 1366 CA ARG A 84 -5.901 10.388 -31.172 1.00 0.00 C ATOM 1367 C ARG A 84 -6.205 8.887 -31.435 1.00 0.00 C ATOM 1368 O ARG A 84 -6.117 8.417 -32.574 1.00 0.00 O ATOM 1369 CB ARG A 84 -4.357 10.682 -31.160 1.00 0.00 C ATOM 1370 CG ARG A 84 -3.763 11.224 -32.494 1.00 0.00 C ATOM 1371 CD ARG A 84 -3.778 10.213 -33.655 1.00 0.00 C ATOM 1372 NE ARG A 84 -3.411 10.831 -34.939 1.00 0.00 N ATOM 1373 CZ ARG A 84 -3.506 10.241 -36.144 1.00 0.00 C ATOM 1374 NH1 ARG A 84 -3.955 8.991 -36.269 1.00 0.00 N ATOM 1375 NH2 ARG A 84 -3.164 10.919 -37.221 1.00 0.00 N ATOM 0 H ARG A 84 -5.845 10.857 -29.115 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.333 10.968 -31.987 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.149 11.405 -30.371 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.833 9.763 -30.897 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.323 12.110 -32.793 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.735 11.541 -32.318 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.086 9.400 -33.435 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.772 9.772 -33.737 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.055 11.786 -34.913 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.234 8.464 -35.441 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.019 8.562 -37.192 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.832 11.880 -37.135 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.231 10.483 -38.141 1.00 0.00 H new ATOM 1389 N GLY A 85 -6.566 8.157 -30.358 1.00 0.00 N ATOM 1390 CA GLY A 85 -6.972 6.754 -30.447 1.00 0.00 C ATOM 1391 C GLY A 85 -8.354 6.570 -31.078 1.00 0.00 C ATOM 1392 O GLY A 85 -9.345 6.334 -30.380 1.00 0.00 O ATOM 0 H GLY A 85 -6.581 8.530 -29.409 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.235 6.205 -31.033 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.974 6.318 -29.448 1.00 0.00 H new ATOM 1396 N VAL A 86 -8.409 6.709 -32.412 1.00 0.00 N ATOM 1397 CA VAL A 86 -9.651 6.600 -33.208 1.00 0.00 C ATOM 1398 C VAL A 86 -9.516 5.426 -34.195 1.00 0.00 C ATOM 1399 O VAL A 86 -8.656 5.450 -35.082 1.00 0.00 O ATOM 1400 CB VAL A 86 -9.952 7.945 -33.981 1.00 0.00 C ATOM 1401 CG1 VAL A 86 -11.216 7.826 -34.871 1.00 0.00 C ATOM 1402 CG2 VAL A 86 -10.078 9.135 -32.992 1.00 0.00 C ATOM 0 H VAL A 86 -7.584 6.903 -32.979 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.488 6.416 -32.535 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.107 8.138 -34.642 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.389 8.771 -35.386 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.070 7.034 -35.606 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.079 7.589 -34.248 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.285 10.050 -33.548 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.892 8.943 -32.293 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.145 9.249 -32.440 1.00 0.00 H new ATOM 1412 N ILE A 87 -10.354 4.391 -34.012 1.00 0.00 N ATOM 1413 CA ILE A 87 -10.338 3.162 -34.838 1.00 0.00 C ATOM 1414 C ILE A 87 -11.719 2.943 -35.495 1.00 0.00 C ATOM 1415 O ILE A 87 -12.704 3.600 -35.122 1.00 0.00 O ATOM 1416 CB ILE A 87 -9.948 1.899 -33.972 1.00 0.00 C ATOM 1417 CG1 ILE A 87 -11.029 1.608 -32.878 1.00 0.00 C ATOM 1418 CG2 ILE A 87 -8.545 2.077 -33.329 1.00 0.00 C ATOM 1419 CD1 ILE A 87 -10.755 0.393 -32.010 1.00 0.00 C ATOM 0 H ILE A 87 -11.068 4.380 -33.283 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.586 3.289 -35.616 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.907 1.038 -34.640 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.117 2.483 -32.234 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.993 1.475 -33.368 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.301 1.194 -32.738 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.799 2.207 -34.113 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.549 2.955 -32.684 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.559 0.276 -31.284 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.699 -0.497 -32.637 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.809 0.527 -31.485 1.00 0.00 H new ATOM 1431 N LYS A 88 -11.779 2.008 -36.465 1.00 0.00 N ATOM 1432 CA LYS A 88 -13.037 1.610 -37.134 1.00 0.00 C ATOM 1433 C LYS A 88 -12.841 0.276 -37.875 1.00 0.00 C ATOM 1434 O LYS A 88 -11.747 0.000 -38.386 1.00 0.00 O ATOM 1435 CB LYS A 88 -13.539 2.706 -38.126 1.00 0.00 C ATOM 1436 CG LYS A 88 -14.940 2.426 -38.728 1.00 0.00 C ATOM 1437 CD LYS A 88 -15.411 3.517 -39.712 1.00 0.00 C ATOM 1438 CE LYS A 88 -16.816 3.237 -40.274 1.00 0.00 C ATOM 1439 NZ LYS A 88 -17.257 4.285 -41.231 1.00 0.00 N ATOM 0 H LYS A 88 -10.959 1.508 -36.807 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.798 1.489 -36.363 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.564 3.665 -37.608 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -12.819 2.801 -38.939 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.921 1.466 -39.243 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.665 2.339 -37.919 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.411 4.482 -39.206 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.701 3.589 -40.536 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.820 2.268 -40.772 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.529 3.175 -39.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.208 4.055 -41.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.280 5.207 -40.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.592 4.327 -42.030 1.00 0.00 H new ATOM 1453 N GLU A 89 -13.903 -0.550 -37.920 1.00 0.00 N ATOM 1454 CA GLU A 89 -13.898 -1.821 -38.655 1.00 0.00 C ATOM 1455 C GLU A 89 -14.147 -1.553 -40.169 1.00 0.00 C ATOM 1456 O GLU A 89 -13.165 -1.395 -40.927 1.00 0.00 O ATOM 1457 CB GLU A 89 -14.966 -2.795 -38.069 1.00 0.00 C ATOM 1458 CG GLU A 89 -14.855 -3.067 -36.555 1.00 0.00 C ATOM 1459 CD GLU A 89 -13.494 -3.638 -36.133 1.00 0.00 C ATOM 1460 OE1 GLU A 89 -13.197 -4.803 -36.467 1.00 0.00 O ATOM 1461 OE2 GLU A 89 -12.721 -2.942 -35.442 1.00 0.00 O ATOM 1462 OXT GLU A 89 -15.322 -1.479 -40.589 1.00 0.00 O ATOM 0 H GLU A 89 -14.785 -0.352 -37.448 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.923 -2.296 -38.545 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.956 -2.388 -38.276 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.895 -3.746 -38.598 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.034 -2.138 -36.013 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.640 -3.764 -36.261 1.00 0.00 H new TER 1469 GLU A 89