USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 777 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 16 THR OG1 : rot 72:sc= 0.538 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 26 GLN : amide:sc= -0.0698 K(o=-0.07,f=-1.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -0.248 X(o=-0.25,f=-0.61) USER MOD Single : A 40 GLN : amide:sc= -0.623 X(o=-0.62,f=-1) USER MOD Single : A 41 THR OG1 : rot 91:sc= 0.0294 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 47 GLN : amide:sc= -2.71 K(o=-2.7,f=-13!) USER MOD Single : A 49 CYS SG : rot -4:sc= -3.64! USER MOD Single : A 56 ASN : amide:sc= -6.65! C(o=-6.7!,f=-13!) USER MOD Single : A 62 HIS : no HD1:sc=-0.000114 X(o=-0.00011,f=0) USER MOD Single : A 66 GLN : amide:sc= 0.0362 X(o=0.036,f=-0.0069) USER MOD Single : A 67 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.17) USER MOD Single : A 68 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.16) USER MOD Single : A 71 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.424 X(o=-0.42,f=-0.26) USER MOD Single : A 82 GLN : amide:sc= -2.19 K(o=-2.2,f=-3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.695 -1.970 -21.878 1.00 0.00 N ATOM 2 CA MET A 1 -2.569 -1.652 -20.431 1.00 0.00 C ATOM 3 C MET A 1 -2.301 -0.166 -20.214 1.00 0.00 C ATOM 4 O MET A 1 -1.152 0.252 -20.066 1.00 0.00 O ATOM 5 CB MET A 1 -1.427 -2.487 -19.847 1.00 0.00 C ATOM 6 CG MET A 1 -1.885 -3.803 -19.240 1.00 0.00 C ATOM 7 SD MET A 1 -0.549 -4.687 -18.411 1.00 0.00 S ATOM 8 CE MET A 1 -1.109 -4.631 -16.711 1.00 0.00 C ATOM 0 H1 MET A 1 -2.877 -2.987 -21.995 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.484 -1.428 -22.285 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.813 -1.718 -22.367 1.00 0.00 H new ATOM 0 HA MET A 1 -3.506 -1.892 -19.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.700 -2.692 -20.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.915 -1.903 -19.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.686 -3.610 -18.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.302 -4.435 -20.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.386 -5.139 -16.073 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.207 -3.593 -16.394 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.076 -5.128 -16.630 1.00 0.00 H new ATOM 17 N LYS A 2 -3.368 0.626 -20.198 1.00 0.00 N ATOM 18 CA LYS A 2 -3.248 2.066 -19.998 1.00 0.00 C ATOM 19 C LYS A 2 -2.845 2.385 -18.561 1.00 0.00 C ATOM 20 O LYS A 2 -2.939 1.534 -17.677 1.00 0.00 O ATOM 21 CB LYS A 2 -4.569 2.761 -20.341 1.00 0.00 C ATOM 22 CG LYS A 2 -4.430 3.845 -21.398 1.00 0.00 C ATOM 23 CD LYS A 2 -5.770 4.181 -22.031 1.00 0.00 C ATOM 24 CE LYS A 2 -5.596 4.979 -23.313 1.00 0.00 C ATOM 25 NZ LYS A 2 -6.904 5.361 -23.912 1.00 0.00 N ATOM 0 H LYS A 2 -4.325 0.295 -20.321 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.468 2.437 -20.663 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.283 2.015 -20.690 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.985 3.200 -19.434 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.004 4.742 -20.947 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.734 3.515 -22.170 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.313 3.261 -22.245 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.374 4.751 -21.325 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.016 5.878 -23.105 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.026 4.391 -24.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.741 5.904 -24.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.448 4.503 -24.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.438 5.944 -23.236 1.00 0.00 H new ATOM 39 N THR A 3 -2.398 3.616 -18.337 1.00 0.00 N ATOM 40 CA THR A 3 -1.982 4.046 -17.007 1.00 0.00 C ATOM 41 C THR A 3 -3.188 4.222 -16.090 1.00 0.00 C ATOM 42 O THR A 3 -3.096 4.013 -14.880 1.00 0.00 O ATOM 43 CB THR A 3 -1.198 5.357 -17.096 1.00 0.00 C ATOM 44 OG1 THR A 3 -0.509 5.446 -18.330 1.00 0.00 O ATOM 45 CG2 THR A 3 -0.179 5.521 -15.989 1.00 0.00 C ATOM 0 H THR A 3 -2.315 4.333 -19.058 1.00 0.00 H new ATOM 0 HA THR A 3 -1.339 3.273 -16.586 1.00 0.00 H new ATOM 0 HB THR A 3 -1.944 6.147 -17.002 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.015 6.292 -18.369 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.341 6.471 -16.111 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.685 5.506 -15.024 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.541 4.704 -16.034 1.00 0.00 H new ATOM 53 N ALA A 4 -4.318 4.608 -16.673 1.00 0.00 N ATOM 54 CA ALA A 4 -5.542 4.812 -15.908 1.00 0.00 C ATOM 55 C ALA A 4 -5.967 3.530 -15.200 1.00 0.00 C ATOM 56 O ALA A 4 -6.528 3.571 -14.105 1.00 0.00 O ATOM 57 CB ALA A 4 -6.656 5.309 -16.818 1.00 0.00 C ATOM 0 H ALA A 4 -4.411 4.786 -17.673 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.344 5.567 -15.147 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.564 5.457 -16.234 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.359 6.254 -17.274 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.843 4.572 -17.599 1.00 0.00 H new ATOM 63 N LEU A 5 -5.697 2.393 -15.832 1.00 0.00 N ATOM 64 CA LEU A 5 -6.052 1.098 -15.261 1.00 0.00 C ATOM 65 C LEU A 5 -5.358 0.886 -13.919 1.00 0.00 C ATOM 66 O LEU A 5 -6.004 0.580 -12.917 1.00 0.00 O ATOM 67 CB LEU A 5 -5.677 -0.028 -16.226 1.00 0.00 C ATOM 68 CG LEU A 5 -6.573 -0.148 -17.461 1.00 0.00 C ATOM 69 CD1 LEU A 5 -6.039 0.716 -18.593 1.00 0.00 C ATOM 70 CD2 LEU A 5 -6.680 -1.600 -17.901 1.00 0.00 C ATOM 0 H LEU A 5 -5.234 2.341 -16.739 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.130 1.084 -15.098 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.649 0.124 -16.555 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.702 -0.974 -15.684 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.570 0.207 -17.200 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.689 0.618 -19.463 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.014 1.758 -18.274 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.032 0.392 -18.854 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.321 -1.667 -18.780 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.688 -1.980 -18.145 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.108 -2.194 -17.094 1.00 0.00 H new ATOM 82 N LEU A 6 -4.039 1.050 -13.908 1.00 0.00 N ATOM 83 CA LEU A 6 -3.258 0.876 -12.689 1.00 0.00 C ATOM 84 C LEU A 6 -3.689 1.873 -11.618 1.00 0.00 C ATOM 85 O LEU A 6 -3.682 1.562 -10.427 1.00 0.00 O ATOM 86 CB LEU A 6 -1.766 1.045 -12.987 1.00 0.00 C ATOM 87 CG LEU A 6 -1.115 -0.131 -13.717 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.040 0.363 -14.673 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.531 -1.119 -12.718 1.00 0.00 C ATOM 0 H LEU A 6 -3.489 1.303 -14.729 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.437 -0.132 -12.314 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.630 1.945 -13.586 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.239 1.206 -12.047 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.881 -0.643 -14.299 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.412 -0.488 -15.183 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.487 1.032 -15.409 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.726 0.899 -14.113 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.072 -1.950 -13.254 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.222 -0.619 -12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.325 -1.497 -12.074 1.00 0.00 H new ATOM 101 N LEU A 7 -4.065 3.072 -12.050 1.00 0.00 N ATOM 102 CA LEU A 7 -4.499 4.115 -11.128 1.00 0.00 C ATOM 103 C LEU A 7 -5.811 3.732 -10.451 1.00 0.00 C ATOM 104 O LEU A 7 -5.920 3.761 -9.225 1.00 0.00 O ATOM 105 CB LEU A 7 -4.664 5.443 -11.869 1.00 0.00 C ATOM 106 CG LEU A 7 -5.015 6.640 -10.983 1.00 0.00 C ATOM 107 CD1 LEU A 7 -3.759 7.406 -10.597 1.00 0.00 C ATOM 108 CD2 LEU A 7 -6.004 7.556 -11.689 1.00 0.00 C ATOM 0 H LEU A 7 -4.078 3.345 -13.033 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.734 4.227 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.738 5.663 -12.400 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.443 5.327 -12.622 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.483 6.267 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.029 8.254 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.085 6.747 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.262 7.767 -11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.242 8.401 -11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.564 7.921 -12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.916 7.003 -11.913 1.00 0.00 H new ATOM 120 N GLU A 8 -6.806 3.375 -11.258 1.00 0.00 N ATOM 121 CA GLU A 8 -8.111 2.987 -10.736 1.00 0.00 C ATOM 122 C GLU A 8 -7.995 1.760 -9.836 1.00 0.00 C ATOM 123 O GLU A 8 -8.600 1.705 -8.765 1.00 0.00 O ATOM 124 CB GLU A 8 -9.078 2.701 -11.886 1.00 0.00 C ATOM 125 CG GLU A 8 -9.556 3.952 -12.605 1.00 0.00 C ATOM 126 CD GLU A 8 -10.188 3.647 -13.948 1.00 0.00 C ATOM 127 OE1 GLU A 8 -9.437 3.396 -14.914 1.00 0.00 O ATOM 128 OE2 GLU A 8 -11.434 3.660 -14.035 1.00 0.00 O ATOM 0 H GLU A 8 -6.733 3.347 -12.275 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.498 3.815 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.590 2.043 -12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.943 2.163 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.279 4.473 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.713 4.628 -12.749 1.00 0.00 H new ATOM 135 N LYS A 9 -7.216 0.779 -10.279 1.00 0.00 N ATOM 136 CA LYS A 9 -7.022 -0.447 -9.514 1.00 0.00 C ATOM 137 C LYS A 9 -6.413 -0.146 -8.148 1.00 0.00 C ATOM 138 O LYS A 9 -6.970 -0.516 -7.114 1.00 0.00 O ATOM 139 CB LYS A 9 -6.123 -1.416 -10.285 1.00 0.00 C ATOM 140 CG LYS A 9 -6.893 -2.450 -11.089 1.00 0.00 C ATOM 141 CD LYS A 9 -7.580 -3.460 -10.185 1.00 0.00 C ATOM 142 CE LYS A 9 -7.693 -4.821 -10.853 1.00 0.00 C ATOM 143 NZ LYS A 9 -8.533 -5.761 -10.061 1.00 0.00 N ATOM 0 H LYS A 9 -6.709 0.809 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.997 -0.910 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.483 -0.847 -10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.468 -1.929 -9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.637 -1.950 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.212 -2.968 -11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.021 -3.556 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.574 -3.098 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.121 -4.702 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.697 -5.245 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.585 -6.677 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.111 -5.895 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.491 -5.369 -9.959 1.00 0.00 H new ATOM 157 N LEU A 10 -5.268 0.528 -8.151 1.00 0.00 N ATOM 158 CA LEU A 10 -4.584 0.878 -6.911 1.00 0.00 C ATOM 159 C LEU A 10 -5.468 1.753 -6.029 1.00 0.00 C ATOM 160 O LEU A 10 -5.416 1.667 -4.802 1.00 0.00 O ATOM 161 CB LEU A 10 -3.271 1.603 -7.216 1.00 0.00 C ATOM 162 CG LEU A 10 -2.238 0.776 -7.983 1.00 0.00 C ATOM 163 CD1 LEU A 10 -1.120 1.667 -8.501 1.00 0.00 C ATOM 164 CD2 LEU A 10 -1.676 -0.327 -7.098 1.00 0.00 C ATOM 0 H LEU A 10 -4.794 0.843 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.366 -0.045 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.495 2.501 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.827 1.929 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.732 0.313 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.394 1.062 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.536 2.421 -9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.627 2.158 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.943 -0.906 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.197 0.116 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.485 -0.982 -6.775 1.00 0.00 H new ATOM 176 N GLU A 11 -6.280 2.594 -6.661 1.00 0.00 N ATOM 177 CA GLU A 11 -7.175 3.485 -5.932 1.00 0.00 C ATOM 178 C GLU A 11 -8.290 2.699 -5.250 1.00 0.00 C ATOM 179 O GLU A 11 -8.583 2.912 -4.073 1.00 0.00 O ATOM 180 CB GLU A 11 -7.773 4.528 -6.880 1.00 0.00 C ATOM 181 CG GLU A 11 -7.076 5.877 -6.818 1.00 0.00 C ATOM 182 CD GLU A 11 -7.551 6.725 -5.654 1.00 0.00 C ATOM 183 OE1 GLU A 11 -8.114 6.156 -4.696 1.00 0.00 O ATOM 184 OE2 GLU A 11 -7.360 7.959 -5.702 1.00 0.00 O ATOM 0 H GLU A 11 -6.337 2.677 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.594 3.994 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.724 4.149 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.828 4.662 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.000 5.723 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.250 6.415 -7.750 1.00 0.00 H new ATOM 191 N GLY A 12 -8.909 1.790 -5.996 1.00 0.00 N ATOM 192 CA GLY A 12 -9.986 0.987 -5.446 1.00 0.00 C ATOM 193 C GLY A 12 -9.537 0.138 -4.272 1.00 0.00 C ATOM 194 O GLY A 12 -10.226 0.059 -3.255 1.00 0.00 O ATOM 0 H GLY A 12 -8.684 1.595 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.797 1.642 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.387 0.340 -6.226 1.00 0.00 H new ATOM 198 N GLN A 13 -8.379 -0.498 -4.414 1.00 0.00 N ATOM 199 CA GLN A 13 -7.838 -1.346 -3.358 1.00 0.00 C ATOM 200 C GLN A 13 -7.475 -0.521 -2.128 1.00 0.00 C ATOM 201 O GLN A 13 -7.916 -0.816 -1.017 1.00 0.00 O ATOM 202 CB GLN A 13 -6.607 -2.102 -3.862 1.00 0.00 C ATOM 203 CG GLN A 13 -6.512 -3.527 -3.342 1.00 0.00 C ATOM 204 CD GLN A 13 -5.818 -4.457 -4.317 1.00 0.00 C ATOM 205 OE1 GLN A 13 -4.651 -4.260 -4.658 1.00 0.00 O ATOM 206 NE2 GLN A 13 -6.534 -5.479 -4.772 1.00 0.00 N ATOM 0 H GLN A 13 -7.797 -0.442 -5.250 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.607 -2.065 -3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.625 -2.122 -4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.710 -1.556 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.971 -3.529 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.514 -3.903 -3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.498 -5.604 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.120 -6.139 -5.431 1.00 0.00 H new ATOM 215 N LEU A 14 -6.668 0.515 -2.334 1.00 0.00 N ATOM 216 CA LEU A 14 -6.246 1.384 -1.241 1.00 0.00 C ATOM 217 C LEU A 14 -7.450 2.025 -0.559 1.00 0.00 C ATOM 218 O LEU A 14 -7.457 2.216 0.657 1.00 0.00 O ATOM 219 CB LEU A 14 -5.301 2.470 -1.761 1.00 0.00 C ATOM 220 CG LEU A 14 -4.177 2.863 -0.801 1.00 0.00 C ATOM 221 CD1 LEU A 14 -4.745 3.257 0.554 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.181 1.723 -0.652 1.00 0.00 C ATOM 0 H LEU A 14 -6.293 0.773 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.719 0.774 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.857 2.127 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.887 3.359 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.654 3.724 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.930 3.533 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.419 4.105 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.293 2.415 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.388 2.020 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.691 0.843 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.749 1.488 -1.625 1.00 0.00 H new ATOM 234 N ALA A 15 -8.465 2.356 -1.350 1.00 0.00 N ATOM 235 CA ALA A 15 -9.674 2.976 -0.821 1.00 0.00 C ATOM 236 C ALA A 15 -10.362 2.065 0.190 1.00 0.00 C ATOM 237 O ALA A 15 -10.666 2.481 1.308 1.00 0.00 O ATOM 238 CB ALA A 15 -10.628 3.323 -1.954 1.00 0.00 C ATOM 0 H ALA A 15 -8.474 2.205 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.386 3.893 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.526 3.785 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.142 4.018 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.900 2.415 -2.492 1.00 0.00 H new ATOM 244 N THR A 16 -10.604 0.821 -0.209 1.00 0.00 N ATOM 245 CA THR A 16 -11.256 -0.148 0.665 1.00 0.00 C ATOM 246 C THR A 16 -10.350 -0.523 1.833 1.00 0.00 C ATOM 247 O THR A 16 -10.822 -0.773 2.942 1.00 0.00 O ATOM 248 CB THR A 16 -11.638 -1.402 -0.123 1.00 0.00 C ATOM 249 OG1 THR A 16 -11.959 -1.074 -1.463 1.00 0.00 O ATOM 250 CG2 THR A 16 -12.820 -2.141 0.464 1.00 0.00 C ATOM 0 H THR A 16 -10.359 0.460 -1.131 1.00 0.00 H new ATOM 0 HA THR A 16 -12.161 0.311 1.063 1.00 0.00 H new ATOM 0 HB THR A 16 -10.764 -2.051 -0.074 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.141 -0.831 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.038 -3.020 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.585 -2.452 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.690 -1.484 0.477 1.00 0.00 H new ATOM 258 N LEU A 17 -9.047 -0.561 1.575 1.00 0.00 N ATOM 259 CA LEU A 17 -8.073 -0.907 2.604 1.00 0.00 C ATOM 260 C LEU A 17 -7.937 0.217 3.627 1.00 0.00 C ATOM 261 O LEU A 17 -7.638 -0.029 4.796 1.00 0.00 O ATOM 262 CB LEU A 17 -6.713 -1.198 1.967 1.00 0.00 C ATOM 263 CG LEU A 17 -5.803 -2.124 2.776 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.156 -3.580 2.515 1.00 0.00 C ATOM 265 CD2 LEU A 17 -4.343 -1.858 2.443 1.00 0.00 C ATOM 0 H LEU A 17 -8.641 -0.356 0.662 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.427 -1.800 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.877 -1.642 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.194 -0.253 1.807 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.956 -1.920 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.498 -4.224 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.191 -3.761 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.032 -3.800 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.709 -2.525 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.174 -2.035 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.098 -0.823 2.682 1.00 0.00 H new ATOM 277 N ARG A 18 -8.156 1.449 3.180 1.00 0.00 N ATOM 278 CA ARG A 18 -8.054 2.610 4.057 1.00 0.00 C ATOM 279 C ARG A 18 -9.241 2.679 5.015 1.00 0.00 C ATOM 280 O ARG A 18 -9.068 2.862 6.219 1.00 0.00 O ATOM 281 CB ARG A 18 -7.974 3.894 3.228 1.00 0.00 C ATOM 282 CG ARG A 18 -6.612 4.567 3.280 1.00 0.00 C ATOM 283 CD ARG A 18 -6.589 5.701 4.293 1.00 0.00 C ATOM 284 NE ARG A 18 -5.719 6.795 3.870 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.988 7.605 2.849 1.00 0.00 C ATOM 286 NH1 ARG A 18 -7.101 7.447 2.143 1.00 0.00 N ATOM 287 NH2 ARG A 18 -5.143 8.576 2.532 1.00 0.00 N ATOM 0 H ARG A 18 -8.405 1.669 2.216 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.143 2.509 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.217 3.663 2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.730 4.594 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.851 3.831 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.358 4.954 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.601 6.078 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.250 5.320 5.256 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.854 6.947 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.755 6.702 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.302 8.071 1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.286 8.703 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.350 9.197 1.749 1.00 0.00 H new ATOM 301 N GLN A 19 -10.445 2.538 4.470 1.00 0.00 N ATOM 302 CA GLN A 19 -11.660 2.590 5.276 1.00 0.00 C ATOM 303 C GLN A 19 -11.765 1.376 6.195 1.00 0.00 C ATOM 304 O GLN A 19 -12.345 1.456 7.278 1.00 0.00 O ATOM 305 CB GLN A 19 -12.892 2.669 4.371 1.00 0.00 C ATOM 306 CG GLN A 19 -13.851 3.786 4.746 1.00 0.00 C ATOM 307 CD GLN A 19 -14.802 4.141 3.620 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.417 4.793 2.649 1.00 0.00 O ATOM 309 NE2 GLN A 19 -16.053 3.712 3.745 1.00 0.00 N ATOM 0 H GLN A 19 -10.606 2.387 3.474 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.613 3.484 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.567 2.811 3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.423 1.718 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.427 3.487 5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.280 4.671 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.328 3.175 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.738 3.920 3.019 1.00 0.00 H new ATOM 318 N ARG A 20 -11.205 0.253 5.757 1.00 0.00 N ATOM 319 CA ARG A 20 -11.243 -0.976 6.542 1.00 0.00 C ATOM 320 C ARG A 20 -10.158 -0.978 7.615 1.00 0.00 C ATOM 321 O ARG A 20 -10.360 -1.496 8.714 1.00 0.00 O ATOM 322 CB ARG A 20 -11.076 -2.193 5.632 1.00 0.00 C ATOM 323 CG ARG A 20 -12.386 -2.708 5.056 1.00 0.00 C ATOM 324 CD ARG A 20 -12.419 -4.229 5.010 1.00 0.00 C ATOM 325 NE ARG A 20 -13.548 -4.774 5.760 1.00 0.00 N ATOM 326 CZ ARG A 20 -13.616 -6.034 6.186 1.00 0.00 C ATOM 327 NH1 ARG A 20 -12.625 -6.881 5.938 1.00 0.00 N ATOM 328 NH2 ARG A 20 -14.679 -6.447 6.862 1.00 0.00 N ATOM 0 H ARG A 20 -10.720 0.168 4.864 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.214 -1.028 7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.406 -1.934 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.597 -2.994 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.217 -2.344 5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.523 -2.310 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.479 -4.559 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.488 -4.624 5.417 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.330 -4.153 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.805 -6.568 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.683 -7.845 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.444 -5.800 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.732 -7.412 7.189 1.00 0.00 H new ATOM 342 N CYS A 21 -9.005 -0.403 7.289 1.00 0.00 N ATOM 343 CA CYS A 21 -7.888 -0.346 8.227 1.00 0.00 C ATOM 344 C CYS A 21 -7.710 1.059 8.801 1.00 0.00 C ATOM 345 O CYS A 21 -6.680 1.365 9.400 1.00 0.00 O ATOM 346 CB CYS A 21 -6.597 -0.792 7.539 1.00 0.00 C ATOM 347 SG CYS A 21 -6.632 -2.497 6.939 1.00 0.00 S ATOM 0 H CYS A 21 -8.819 0.030 6.384 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.113 -1.023 9.051 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.397 -0.127 6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.768 -0.681 8.238 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.498 -2.780 6.371 1.00 0.00 H new ATOM 353 N ALA A 22 -8.713 1.913 8.614 1.00 0.00 N ATOM 354 CA ALA A 22 -8.650 3.280 9.115 1.00 0.00 C ATOM 355 C ALA A 22 -8.672 3.316 10.644 1.00 0.00 C ATOM 356 O ALA A 22 -7.757 3.849 11.271 1.00 0.00 O ATOM 357 CB ALA A 22 -9.794 4.106 8.546 1.00 0.00 C ATOM 0 H ALA A 22 -9.575 1.682 8.121 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.706 3.714 8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.733 5.124 8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.725 4.123 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.745 3.663 8.842 1.00 0.00 H new ATOM 363 N PRO A 23 -9.726 2.756 11.267 1.00 0.00 N ATOM 364 CA PRO A 23 -9.867 2.737 12.723 1.00 0.00 C ATOM 365 C PRO A 23 -9.166 1.548 13.379 1.00 0.00 C ATOM 366 O PRO A 23 -9.707 0.933 14.298 1.00 0.00 O ATOM 367 CB PRO A 23 -11.376 2.623 12.899 1.00 0.00 C ATOM 368 CG PRO A 23 -11.820 1.797 11.739 1.00 0.00 C ATOM 369 CD PRO A 23 -10.875 2.108 10.602 1.00 0.00 C ATOM 0 HA PRO A 23 -9.414 3.611 13.192 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.631 2.148 13.846 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.852 3.603 12.895 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.793 0.736 11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.848 2.035 11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.574 1.204 10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.336 2.768 9.867 1.00 0.00 H new ATOM 377 N VAL A 24 -7.964 1.228 12.910 1.00 0.00 N ATOM 378 CA VAL A 24 -7.205 0.111 13.465 1.00 0.00 C ATOM 379 C VAL A 24 -5.835 0.557 13.978 1.00 0.00 C ATOM 380 O VAL A 24 -5.012 -0.273 14.364 1.00 0.00 O ATOM 381 CB VAL A 24 -7.014 -1.012 12.427 1.00 0.00 C ATOM 382 CG1 VAL A 24 -8.361 -1.501 11.917 1.00 0.00 C ATOM 383 CG2 VAL A 24 -6.137 -0.541 11.274 1.00 0.00 C ATOM 0 H VAL A 24 -7.496 1.723 12.151 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.788 -0.272 14.303 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.509 -1.846 12.914 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.207 -2.294 11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.948 -1.886 12.751 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.895 -0.674 11.449 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.016 -1.351 10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.606 0.312 10.785 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.160 -0.247 11.657 1.00 0.00 H new ATOM 393 N SER A 25 -5.591 1.865 13.977 1.00 0.00 N ATOM 394 CA SER A 25 -4.316 2.404 14.440 1.00 0.00 C ATOM 395 C SER A 25 -4.048 2.014 15.890 1.00 0.00 C ATOM 396 O SER A 25 -2.897 1.850 16.295 1.00 0.00 O ATOM 397 CB SER A 25 -4.302 3.927 14.299 1.00 0.00 C ATOM 398 OG SER A 25 -5.602 4.467 14.459 1.00 0.00 O ATOM 0 H SER A 25 -6.258 2.569 13.662 1.00 0.00 H new ATOM 0 HA SER A 25 -3.527 1.979 13.820 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.632 4.358 15.043 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.909 4.201 13.320 1.00 0.00 H new ATOM 0 HG SER A 25 -5.565 5.442 14.366 1.00 0.00 H new ATOM 404 N GLN A 26 -5.115 1.869 16.668 1.00 0.00 N ATOM 405 CA GLN A 26 -4.991 1.501 18.074 1.00 0.00 C ATOM 406 C GLN A 26 -4.638 0.024 18.227 1.00 0.00 C ATOM 407 O GLN A 26 -4.009 -0.374 19.207 1.00 0.00 O ATOM 408 CB GLN A 26 -6.291 1.807 18.818 1.00 0.00 C ATOM 409 CG GLN A 26 -6.763 3.243 18.652 1.00 0.00 C ATOM 410 CD GLN A 26 -7.731 3.668 19.739 1.00 0.00 C ATOM 411 OE1 GLN A 26 -7.815 3.038 20.793 1.00 0.00 O ATOM 412 NE2 GLN A 26 -8.469 4.742 19.486 1.00 0.00 N ATOM 0 H GLN A 26 -6.075 2.001 16.349 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.184 2.092 18.506 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.071 1.134 18.462 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.150 1.600 19.879 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.900 3.908 18.659 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.243 3.354 17.680 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.366 5.234 18.598 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.139 5.075 20.179 1.00 0.00 H new ATOM 421 N PHE A 27 -5.050 -0.785 17.256 1.00 0.00 N ATOM 422 CA PHE A 27 -4.778 -2.218 17.288 1.00 0.00 C ATOM 423 C PHE A 27 -3.973 -2.651 16.064 1.00 0.00 C ATOM 424 O PHE A 27 -4.044 -3.805 15.641 1.00 0.00 O ATOM 425 CB PHE A 27 -6.089 -3.004 17.359 1.00 0.00 C ATOM 426 CG PHE A 27 -6.318 -3.670 18.686 1.00 0.00 C ATOM 427 CD1 PHE A 27 -6.091 -2.984 19.869 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.758 -4.982 18.750 1.00 0.00 C ATOM 429 CE1 PHE A 27 -6.301 -3.595 21.091 1.00 0.00 C ATOM 430 CE2 PHE A 27 -6.969 -5.598 19.969 1.00 0.00 C ATOM 431 CZ PHE A 27 -6.740 -4.904 21.141 1.00 0.00 C ATOM 0 H PHE A 27 -5.573 -0.473 16.438 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.186 -2.430 18.178 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.920 -2.329 17.152 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.092 -3.762 16.576 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.746 -1.961 19.836 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.938 -5.530 17.837 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.122 -3.050 22.006 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.313 -6.621 20.005 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.904 -5.384 22.095 1.00 0.00 H new ATOM 441 N ALA A 28 -3.211 -1.720 15.499 1.00 0.00 N ATOM 442 CA ALA A 28 -2.398 -2.009 14.325 1.00 0.00 C ATOM 443 C ALA A 28 -1.115 -2.736 14.709 1.00 0.00 C ATOM 444 O ALA A 28 -0.366 -2.282 15.574 1.00 0.00 O ATOM 445 CB ALA A 28 -2.074 -0.724 13.578 1.00 0.00 C ATOM 0 H ALA A 28 -3.140 -0.760 15.836 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.973 -2.663 13.670 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.466 -0.955 12.703 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.000 -0.245 13.260 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.523 -0.050 14.235 1.00 0.00 H new ATOM 451 N THR A 29 -0.867 -3.866 14.057 1.00 0.00 N ATOM 452 CA THR A 29 0.327 -4.659 14.326 1.00 0.00 C ATOM 453 C THR A 29 0.799 -5.375 13.065 1.00 0.00 C ATOM 454 O THR A 29 0.034 -6.098 12.426 1.00 0.00 O ATOM 455 CB THR A 29 0.050 -5.678 15.433 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.421 -5.032 16.602 1.00 0.00 O ATOM 457 CG2 THR A 29 1.267 -6.491 15.815 1.00 0.00 C ATOM 0 H THR A 29 -1.477 -4.254 13.338 1.00 0.00 H new ATOM 0 HA THR A 29 1.116 -3.983 14.655 1.00 0.00 H new ATOM 0 HB THR A 29 -0.703 -6.352 15.024 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.594 -5.700 17.298 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.002 -7.194 16.605 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.625 -7.041 14.945 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.053 -5.825 16.171 1.00 0.00 H new ATOM 465 N LEU A 30 2.063 -5.167 12.711 1.00 0.00 N ATOM 466 CA LEU A 30 2.636 -5.792 11.525 1.00 0.00 C ATOM 467 C LEU A 30 3.566 -6.940 11.908 1.00 0.00 C ATOM 468 O LEU A 30 4.195 -6.916 12.965 1.00 0.00 O ATOM 469 CB LEU A 30 3.399 -4.757 10.696 1.00 0.00 C ATOM 470 CG LEU A 30 2.569 -4.047 9.625 1.00 0.00 C ATOM 471 CD1 LEU A 30 3.319 -2.840 9.083 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.219 -5.009 8.500 1.00 0.00 C ATOM 0 H LEU A 30 2.709 -4.571 13.228 1.00 0.00 H new ATOM 0 HA LEU A 30 1.819 -6.196 10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.813 -4.007 11.370 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.242 -5.251 10.213 1.00 0.00 H new ATOM 0 HG LEU A 30 1.642 -3.698 10.080 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.714 -2.347 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.520 -2.142 9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.261 -3.165 8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.628 -4.488 7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.135 -5.387 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.642 -5.843 8.900 1.00 0.00 H new ATOM 484 N SER A 31 3.646 -7.943 11.040 1.00 0.00 N ATOM 485 CA SER A 31 4.498 -9.100 11.286 1.00 0.00 C ATOM 486 C SER A 31 5.958 -8.680 11.431 1.00 0.00 C ATOM 487 O SER A 31 6.356 -7.615 10.961 1.00 0.00 O ATOM 488 CB SER A 31 4.358 -10.114 10.149 1.00 0.00 C ATOM 489 OG SER A 31 4.402 -11.442 10.642 1.00 0.00 O ATOM 0 H SER A 31 3.131 -7.978 10.160 1.00 0.00 H new ATOM 0 HA SER A 31 4.177 -9.564 12.219 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.417 -9.949 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.158 -9.965 9.424 1.00 0.00 H new ATOM 0 HG SER A 31 4.309 -12.071 9.896 1.00 0.00 H new ATOM 495 N ALA A 32 6.749 -9.525 12.083 1.00 0.00 N ATOM 496 CA ALA A 32 8.165 -9.241 12.289 1.00 0.00 C ATOM 497 C ALA A 32 8.993 -9.582 11.051 1.00 0.00 C ATOM 498 O ALA A 32 10.205 -9.369 11.029 1.00 0.00 O ATOM 499 CB ALA A 32 8.683 -10.007 13.497 1.00 0.00 C ATOM 0 H ALA A 32 6.434 -10.411 12.478 1.00 0.00 H new ATOM 0 HA ALA A 32 8.267 -8.171 12.472 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.741 -9.787 13.641 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.126 -9.707 14.384 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.554 -11.077 13.332 1.00 0.00 H new ATOM 505 N ARG A 33 8.336 -10.111 10.021 1.00 0.00 N ATOM 506 CA ARG A 33 9.021 -10.477 8.786 1.00 0.00 C ATOM 507 C ARG A 33 8.909 -9.366 7.744 1.00 0.00 C ATOM 508 O ARG A 33 9.060 -9.609 6.547 1.00 0.00 O ATOM 509 CB ARG A 33 8.441 -11.776 8.224 1.00 0.00 C ATOM 510 CG ARG A 33 8.981 -13.027 8.899 1.00 0.00 C ATOM 511 CD ARG A 33 8.454 -14.290 8.237 1.00 0.00 C ATOM 512 NE ARG A 33 9.496 -15.302 8.082 1.00 0.00 N ATOM 513 CZ ARG A 33 10.559 -15.158 7.293 1.00 0.00 C ATOM 514 NH1 ARG A 33 10.725 -14.045 6.588 1.00 0.00 N ATOM 515 NH2 ARG A 33 11.459 -16.128 7.209 1.00 0.00 N ATOM 0 H ARG A 33 7.333 -10.295 10.018 1.00 0.00 H new ATOM 0 HA ARG A 33 10.076 -10.625 9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.356 -11.756 8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.656 -11.828 7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.070 -13.022 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.701 -13.023 9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.638 -14.698 8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.041 -14.042 7.259 1.00 0.00 H new ATOM 0 HE ARG A 33 9.404 -16.170 8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.036 -13.295 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.541 -13.940 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.337 -16.985 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.273 -16.017 6.605 1.00 0.00 H new ATOM 529 N PHE A 34 8.643 -8.147 8.206 1.00 0.00 N ATOM 530 CA PHE A 34 8.511 -7.005 7.316 1.00 0.00 C ATOM 531 C PHE A 34 9.817 -6.733 6.577 1.00 0.00 C ATOM 532 O PHE A 34 10.903 -6.895 7.133 1.00 0.00 O ATOM 533 CB PHE A 34 8.095 -5.771 8.115 1.00 0.00 C ATOM 534 CG PHE A 34 9.101 -5.357 9.151 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.295 -4.761 8.778 1.00 0.00 C ATOM 536 CD2 PHE A 34 8.852 -5.564 10.498 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.222 -4.379 9.729 1.00 0.00 C ATOM 538 CE2 PHE A 34 9.775 -5.184 11.454 1.00 0.00 C ATOM 539 CZ PHE A 34 10.961 -4.591 11.069 1.00 0.00 C ATOM 0 H PHE A 34 8.515 -7.928 9.194 1.00 0.00 H new ATOM 0 HA PHE A 34 7.744 -7.233 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.932 -4.941 7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.142 -5.970 8.605 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.504 -4.593 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.926 -6.028 10.805 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.149 -3.915 9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.569 -5.351 12.501 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.684 -4.293 11.814 1.00 0.00 H new ATOM 549 N ASP A 35 9.703 -6.316 5.320 1.00 0.00 N ATOM 550 CA ASP A 35 10.874 -6.019 4.503 1.00 0.00 C ATOM 551 C ASP A 35 10.849 -4.570 4.026 1.00 0.00 C ATOM 552 O ASP A 35 9.854 -4.107 3.470 1.00 0.00 O ATOM 553 CB ASP A 35 10.937 -6.966 3.301 1.00 0.00 C ATOM 554 CG ASP A 35 12.031 -8.007 3.443 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.363 -8.367 4.592 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.556 -8.461 2.404 1.00 0.00 O ATOM 0 H ASP A 35 8.811 -6.176 4.845 1.00 0.00 H new ATOM 0 HA ASP A 35 11.763 -6.165 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.976 -7.466 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.106 -6.386 2.393 1.00 0.00 H new ATOM 561 N ARG A 36 11.948 -3.858 4.251 1.00 0.00 N ATOM 562 CA ARG A 36 12.052 -2.460 3.847 1.00 0.00 C ATOM 563 C ARG A 36 11.958 -2.311 2.329 1.00 0.00 C ATOM 564 O ARG A 36 11.693 -1.222 1.820 1.00 0.00 O ATOM 565 CB ARG A 36 13.367 -1.861 4.347 1.00 0.00 C ATOM 566 CG ARG A 36 14.601 -2.569 3.810 1.00 0.00 C ATOM 567 CD ARG A 36 15.850 -1.722 3.988 1.00 0.00 C ATOM 568 NE ARG A 36 16.787 -1.888 2.878 1.00 0.00 N ATOM 569 CZ ARG A 36 17.613 -2.925 2.754 1.00 0.00 C ATOM 570 NH1 ARG A 36 17.622 -3.888 3.667 1.00 0.00 N ATOM 571 NH2 ARG A 36 18.432 -2.998 1.714 1.00 0.00 N ATOM 0 H ARG A 36 12.780 -4.226 4.711 1.00 0.00 H new ATOM 0 HA ARG A 36 11.217 -1.921 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.409 -0.810 4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.382 -1.898 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.729 -3.521 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.461 -2.795 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.568 -0.672 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.342 -1.994 4.922 1.00 0.00 H new ATOM 0 HE ARG A 36 16.809 -1.167 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.994 -3.836 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.257 -4.680 3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.429 -2.260 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.065 -3.792 1.618 1.00 0.00 H new ATOM 585 N HIS A 37 12.180 -3.408 1.610 1.00 0.00 N ATOM 586 CA HIS A 37 12.122 -3.390 0.153 1.00 0.00 C ATOM 587 C HIS A 37 10.691 -3.193 -0.338 1.00 0.00 C ATOM 588 O HIS A 37 10.462 -2.587 -1.384 1.00 0.00 O ATOM 589 CB HIS A 37 12.694 -4.690 -0.416 1.00 0.00 C ATOM 590 CG HIS A 37 14.188 -4.692 -0.519 1.00 0.00 C ATOM 591 ND1 HIS A 37 14.883 -5.538 -1.357 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.122 -3.945 0.117 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.179 -5.312 -1.232 1.00 0.00 C ATOM 594 NE2 HIS A 37 16.350 -4.350 -0.344 1.00 0.00 N ATOM 0 H HIS A 37 12.401 -4.319 2.013 1.00 0.00 H new ATOM 0 HA HIS A 37 12.723 -2.550 -0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.380 -5.522 0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.270 -4.862 -1.405 1.00 0.00 H new ATOM 0 HD1 HIS A 37 14.462 -6.230 -1.977 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.935 -3.174 0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.965 -5.827 -1.765 1.00 0.00 H new ATOM 603 N LEU A 38 9.732 -3.712 0.422 1.00 0.00 N ATOM 604 CA LEU A 38 8.324 -3.594 0.059 1.00 0.00 C ATOM 605 C LEU A 38 7.588 -2.648 1.004 1.00 0.00 C ATOM 606 O LEU A 38 6.550 -2.090 0.651 1.00 0.00 O ATOM 607 CB LEU A 38 7.656 -4.970 0.077 1.00 0.00 C ATOM 608 CG LEU A 38 7.635 -5.662 1.442 1.00 0.00 C ATOM 609 CD1 LEU A 38 6.302 -5.431 2.137 1.00 0.00 C ATOM 610 CD2 LEU A 38 7.907 -7.152 1.290 1.00 0.00 C ATOM 0 H LEU A 38 9.903 -4.217 1.291 1.00 0.00 H new ATOM 0 HA LEU A 38 8.271 -3.181 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.630 -4.864 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.171 -5.617 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 38 8.423 -5.230 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.305 -5.930 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.147 -4.362 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.497 -5.835 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.888 -7.627 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.141 -7.599 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.886 -7.298 0.835 1.00 0.00 H new ATOM 622 N PHE A 39 8.129 -2.472 2.206 1.00 0.00 N ATOM 623 CA PHE A 39 7.518 -1.594 3.197 1.00 0.00 C ATOM 624 C PHE A 39 8.398 -0.377 3.462 1.00 0.00 C ATOM 625 O PHE A 39 9.575 -0.357 3.101 1.00 0.00 O ATOM 626 CB PHE A 39 7.273 -2.356 4.501 1.00 0.00 C ATOM 627 CG PHE A 39 5.872 -2.881 4.636 1.00 0.00 C ATOM 628 CD1 PHE A 39 4.784 -2.071 4.354 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.644 -4.185 5.047 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.494 -2.552 4.478 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.357 -4.671 5.173 1.00 0.00 C ATOM 632 CZ PHE A 39 3.280 -3.854 4.888 1.00 0.00 C ATOM 0 H PHE A 39 8.988 -2.925 2.516 1.00 0.00 H new ATOM 0 HA PHE A 39 6.563 -1.249 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.972 -3.190 4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.488 -1.698 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.946 -1.052 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.482 -4.828 5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.654 -1.911 4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.193 -5.689 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.273 -4.232 4.985 1.00 0.00 H new ATOM 642 N GLN A 40 7.818 0.636 4.097 1.00 0.00 N ATOM 643 CA GLN A 40 8.547 1.859 4.415 1.00 0.00 C ATOM 644 C GLN A 40 9.437 1.658 5.637 1.00 0.00 C ATOM 645 O GLN A 40 9.148 0.827 6.498 1.00 0.00 O ATOM 646 CB GLN A 40 7.569 3.010 4.663 1.00 0.00 C ATOM 647 CG GLN A 40 8.227 4.380 4.658 1.00 0.00 C ATOM 648 CD GLN A 40 8.508 4.887 3.257 1.00 0.00 C ATOM 649 OE1 GLN A 40 7.587 5.134 2.478 1.00 0.00 O ATOM 650 NE2 GLN A 40 9.785 5.043 2.928 1.00 0.00 N ATOM 0 H GLN A 40 6.845 0.634 4.402 1.00 0.00 H new ATOM 0 HA GLN A 40 9.181 2.108 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.792 2.987 3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.076 2.856 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.582 5.091 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.161 4.332 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.516 4.826 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.035 5.380 1.998 1.00 0.00 H new ATOM 659 N THR A 41 10.522 2.423 5.704 1.00 0.00 N ATOM 660 CA THR A 41 11.458 2.329 6.820 1.00 0.00 C ATOM 661 C THR A 41 10.751 2.576 8.150 1.00 0.00 C ATOM 662 O THR A 41 11.143 2.032 9.182 1.00 0.00 O ATOM 663 CB THR A 41 12.598 3.332 6.643 1.00 0.00 C ATOM 664 OG1 THR A 41 13.013 3.384 5.289 1.00 0.00 O ATOM 665 CG2 THR A 41 13.814 3.011 7.484 1.00 0.00 C ATOM 0 H THR A 41 10.775 3.115 4.999 1.00 0.00 H new ATOM 0 HA THR A 41 11.869 1.319 6.830 1.00 0.00 H new ATOM 0 HB THR A 41 12.194 4.290 6.970 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.504 4.076 4.817 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.585 3.762 7.311 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.538 3.012 8.538 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.197 2.028 7.210 1.00 0.00 H new ATOM 673 N ARG A 42 9.710 3.402 8.118 1.00 0.00 N ATOM 674 CA ARG A 42 8.952 3.722 9.322 1.00 0.00 C ATOM 675 C ARG A 42 7.637 2.948 9.369 1.00 0.00 C ATOM 676 O ARG A 42 6.699 3.344 10.061 1.00 0.00 O ATOM 677 CB ARG A 42 8.676 5.225 9.390 1.00 0.00 C ATOM 678 CG ARG A 42 7.781 5.732 8.271 1.00 0.00 C ATOM 679 CD ARG A 42 7.306 7.151 8.537 1.00 0.00 C ATOM 680 NE ARG A 42 8.115 8.141 7.830 1.00 0.00 N ATOM 681 CZ ARG A 42 8.160 9.431 8.156 1.00 0.00 C ATOM 682 NH1 ARG A 42 7.446 9.891 9.175 1.00 0.00 N ATOM 683 NH2 ARG A 42 8.923 10.264 7.460 1.00 0.00 N ATOM 0 H ARG A 42 9.372 3.861 7.272 1.00 0.00 H new ATOM 0 HA ARG A 42 9.551 3.428 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.212 5.457 10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.624 5.762 9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.324 5.700 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.920 5.073 8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.265 7.248 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.343 7.351 9.608 1.00 0.00 H new ATOM 0 HE ARG A 42 8.678 7.825 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.858 9.255 9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.485 10.880 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.475 9.916 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.958 11.252 7.709 1.00 0.00 H new ATOM 697 N ALA A 43 7.572 1.843 8.631 1.00 0.00 N ATOM 698 CA ALA A 43 6.370 1.019 8.595 1.00 0.00 C ATOM 699 C ALA A 43 6.485 -0.161 9.553 1.00 0.00 C ATOM 700 O ALA A 43 7.057 -1.197 9.213 1.00 0.00 O ATOM 701 CB ALA A 43 6.109 0.530 7.178 1.00 0.00 C ATOM 0 H ALA A 43 8.337 1.499 8.051 1.00 0.00 H new ATOM 0 HA ALA A 43 5.528 1.632 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.209 -0.084 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.974 1.386 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.957 -0.063 6.836 1.00 0.00 H new ATOM 707 N THR A 44 5.938 0.002 10.754 1.00 0.00 N ATOM 708 CA THR A 44 5.980 -1.050 11.764 1.00 0.00 C ATOM 709 C THR A 44 4.574 -1.507 12.155 1.00 0.00 C ATOM 710 O THR A 44 4.415 -2.480 12.892 1.00 0.00 O ATOM 711 CB THR A 44 6.730 -0.562 13.004 1.00 0.00 C ATOM 712 OG1 THR A 44 6.512 0.822 13.210 1.00 0.00 O ATOM 713 CG2 THR A 44 8.225 -0.784 12.925 1.00 0.00 C ATOM 0 H THR A 44 5.460 0.853 11.051 1.00 0.00 H new ATOM 0 HA THR A 44 6.506 -1.902 11.334 1.00 0.00 H new ATOM 0 HB THR A 44 6.334 -1.151 13.831 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.999 1.114 14.009 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.696 -0.415 13.836 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.429 -1.849 12.816 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.628 -0.247 12.066 1.00 0.00 H new ATOM 721 N THR A 45 3.558 -0.803 11.663 1.00 0.00 N ATOM 722 CA THR A 45 2.174 -1.147 11.970 1.00 0.00 C ATOM 723 C THR A 45 1.277 -0.942 10.753 1.00 0.00 C ATOM 724 O THR A 45 1.689 -0.346 9.758 1.00 0.00 O ATOM 725 CB THR A 45 1.664 -0.305 13.140 1.00 0.00 C ATOM 726 OG1 THR A 45 1.911 1.071 12.914 1.00 0.00 O ATOM 727 CG2 THR A 45 2.299 -0.673 14.464 1.00 0.00 C ATOM 0 H THR A 45 3.667 0.006 11.052 1.00 0.00 H new ATOM 0 HA THR A 45 2.143 -2.201 12.248 1.00 0.00 H new ATOM 0 HB THR A 45 0.595 -0.510 13.198 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.576 1.593 13.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.893 -0.038 15.251 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.084 -1.717 14.693 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.378 -0.530 14.402 1.00 0.00 H new ATOM 735 N LEU A 46 0.049 -1.442 10.842 1.00 0.00 N ATOM 736 CA LEU A 46 -0.909 -1.317 9.750 1.00 0.00 C ATOM 737 C LEU A 46 -1.182 0.149 9.427 1.00 0.00 C ATOM 738 O LEU A 46 -1.132 0.559 8.267 1.00 0.00 O ATOM 739 CB LEU A 46 -2.216 -2.024 10.110 1.00 0.00 C ATOM 740 CG LEU A 46 -2.066 -3.490 10.521 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.316 -3.974 11.239 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.779 -4.356 9.304 1.00 0.00 C ATOM 0 H LEU A 46 -0.306 -1.938 11.660 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.478 -1.789 8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.693 -1.481 10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.889 -1.969 9.254 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.224 -3.571 11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.191 -5.019 11.524 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.479 -3.371 12.133 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.176 -3.879 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.675 -5.396 9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.601 -4.269 8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.855 -4.024 8.831 1.00 0.00 H new ATOM 754 N GLN A 47 -1.472 0.935 10.459 1.00 0.00 N ATOM 755 CA GLN A 47 -1.754 2.354 10.284 1.00 0.00 C ATOM 756 C GLN A 47 -0.514 3.100 9.800 1.00 0.00 C ATOM 757 O GLN A 47 -0.611 4.034 9.004 1.00 0.00 O ATOM 758 CB GLN A 47 -2.254 2.964 11.595 1.00 0.00 C ATOM 759 CG GLN A 47 -1.215 2.962 12.705 1.00 0.00 C ATOM 760 CD GLN A 47 -0.477 4.283 12.815 1.00 0.00 C ATOM 761 OE1 GLN A 47 0.250 4.679 11.904 1.00 0.00 O ATOM 762 NE2 GLN A 47 -0.660 4.972 13.935 1.00 0.00 N ATOM 0 H GLN A 47 -1.518 0.612 11.426 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.533 2.453 9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.573 3.990 11.410 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.132 2.413 11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.703 2.743 13.654 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.497 2.163 12.524 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.272 4.606 14.665 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.189 5.867 14.066 1.00 0.00 H new ATOM 771 N ALA A 48 0.650 2.681 10.285 1.00 0.00 N ATOM 772 CA ALA A 48 1.907 3.309 9.900 1.00 0.00 C ATOM 773 C ALA A 48 2.179 3.118 8.413 1.00 0.00 C ATOM 774 O ALA A 48 2.409 4.083 7.684 1.00 0.00 O ATOM 775 CB ALA A 48 3.054 2.746 10.726 1.00 0.00 C ATOM 0 H ALA A 48 0.748 1.910 10.945 1.00 0.00 H new ATOM 0 HA ALA A 48 1.827 4.378 10.095 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.987 3.225 10.427 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.870 2.938 11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.128 1.671 10.560 1.00 0.00 H new ATOM 781 N CYS A 49 2.147 1.867 7.967 1.00 0.00 N ATOM 782 CA CYS A 49 2.386 1.550 6.564 1.00 0.00 C ATOM 783 C CYS A 49 1.263 2.098 5.691 1.00 0.00 C ATOM 784 O CYS A 49 1.500 2.567 4.578 1.00 0.00 O ATOM 785 CB CYS A 49 2.506 0.037 6.373 1.00 0.00 C ATOM 786 SG CYS A 49 1.032 -0.888 6.866 1.00 0.00 S ATOM 0 H CYS A 49 1.958 1.056 8.556 1.00 0.00 H new ATOM 0 HA CYS A 49 3.322 2.019 6.263 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.718 -0.170 5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.358 -0.325 6.948 1.00 0.00 H new ATOM 0 HG CYS A 49 0.164 -0.074 7.389 1.00 0.00 H new ATOM 792 N LEU A 50 0.039 2.039 6.207 1.00 0.00 N ATOM 793 CA LEU A 50 -1.122 2.534 5.477 1.00 0.00 C ATOM 794 C LEU A 50 -0.996 4.030 5.217 1.00 0.00 C ATOM 795 O LEU A 50 -1.216 4.498 4.099 1.00 0.00 O ATOM 796 CB LEU A 50 -2.405 2.245 6.259 1.00 0.00 C ATOM 797 CG LEU A 50 -3.704 2.552 5.511 1.00 0.00 C ATOM 798 CD1 LEU A 50 -3.723 1.847 4.163 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.908 2.144 6.347 1.00 0.00 C ATOM 0 H LEU A 50 -0.174 1.654 7.127 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.168 2.017 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.409 1.193 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.389 2.826 7.181 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.756 3.627 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.654 2.077 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.880 2.188 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.648 0.770 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.824 2.369 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.862 1.075 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.902 2.695 7.287 1.00 0.00 H new ATOM 811 N ASP A 51 -0.636 4.777 6.256 1.00 0.00 N ATOM 812 CA ASP A 51 -0.475 6.221 6.141 1.00 0.00 C ATOM 813 C ASP A 51 0.597 6.562 5.111 1.00 0.00 C ATOM 814 O ASP A 51 0.392 7.409 4.242 1.00 0.00 O ATOM 815 CB ASP A 51 -0.108 6.825 7.498 1.00 0.00 C ATOM 816 CG ASP A 51 -0.785 8.160 7.739 1.00 0.00 C ATOM 817 OD1 ASP A 51 -1.969 8.300 7.367 1.00 0.00 O ATOM 818 OD2 ASP A 51 -0.132 9.064 8.300 1.00 0.00 O ATOM 0 H ASP A 51 -0.450 4.405 7.187 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.423 6.645 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.389 6.130 8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.973 6.953 7.555 1.00 0.00 H new ATOM 823 N GLU A 52 1.741 5.891 5.213 1.00 0.00 N ATOM 824 CA GLU A 52 2.844 6.119 4.288 1.00 0.00 C ATOM 825 C GLU A 52 2.450 5.716 2.872 1.00 0.00 C ATOM 826 O GLU A 52 2.838 6.365 1.900 1.00 0.00 O ATOM 827 CB GLU A 52 4.081 5.335 4.732 1.00 0.00 C ATOM 828 CG GLU A 52 5.044 6.149 5.581 1.00 0.00 C ATOM 829 CD GLU A 52 5.727 7.250 4.795 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.164 8.361 4.717 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.826 7.000 4.256 1.00 0.00 O ATOM 0 H GLU A 52 1.927 5.186 5.926 1.00 0.00 H new ATOM 0 HA GLU A 52 3.080 7.183 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.762 4.459 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.606 4.971 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.502 6.588 6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.800 5.486 6.003 1.00 0.00 H new ATOM 838 N ALA A 53 1.673 4.643 2.763 1.00 0.00 N ATOM 839 CA ALA A 53 1.221 4.157 1.466 1.00 0.00 C ATOM 840 C ALA A 53 0.429 5.231 0.729 1.00 0.00 C ATOM 841 O ALA A 53 0.678 5.507 -0.444 1.00 0.00 O ATOM 842 CB ALA A 53 0.380 2.901 1.637 1.00 0.00 C ATOM 0 H ALA A 53 1.344 4.094 3.557 1.00 0.00 H new ATOM 0 HA ALA A 53 2.099 3.912 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.049 2.549 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.977 2.126 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.489 3.126 2.255 1.00 0.00 H new ATOM 848 N GLY A 54 -0.523 5.838 1.430 1.00 0.00 N ATOM 849 CA GLY A 54 -1.335 6.879 0.830 1.00 0.00 C ATOM 850 C GLY A 54 -0.540 8.137 0.545 1.00 0.00 C ATOM 851 O GLY A 54 -0.844 8.874 -0.393 1.00 0.00 O ATOM 0 H GLY A 54 -0.746 5.627 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.769 6.508 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.164 7.119 1.496 1.00 0.00 H new ATOM 855 N ASP A 55 0.484 8.381 1.357 1.00 0.00 N ATOM 856 CA ASP A 55 1.328 9.557 1.189 1.00 0.00 C ATOM 857 C ASP A 55 2.000 9.550 -0.180 1.00 0.00 C ATOM 858 O ASP A 55 1.832 10.479 -0.970 1.00 0.00 O ATOM 859 CB ASP A 55 2.389 9.612 2.290 1.00 0.00 C ATOM 860 CG ASP A 55 2.900 11.018 2.531 1.00 0.00 C ATOM 861 OD1 ASP A 55 3.847 11.434 1.831 1.00 0.00 O ATOM 862 OD2 ASP A 55 2.354 11.704 3.421 1.00 0.00 O ATOM 0 H ASP A 55 0.749 7.780 2.137 1.00 0.00 H new ATOM 0 HA ASP A 55 0.695 10.442 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.969 9.218 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.224 8.966 2.018 1.00 0.00 H new ATOM 867 N ASN A 56 2.759 8.494 -0.457 1.00 0.00 N ATOM 868 CA ASN A 56 3.452 8.369 -1.733 1.00 0.00 C ATOM 869 C ASN A 56 2.454 8.234 -2.879 1.00 0.00 C ATOM 870 O ASN A 56 2.709 8.691 -3.993 1.00 0.00 O ATOM 871 CB ASN A 56 4.400 7.168 -1.716 1.00 0.00 C ATOM 872 CG ASN A 56 3.745 5.916 -1.167 1.00 0.00 C ATOM 873 OD1 ASN A 56 2.785 5.401 -1.741 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.264 5.418 -0.051 1.00 0.00 N ATOM 0 H ASN A 56 2.909 7.715 0.184 1.00 0.00 H new ATOM 0 HA ASN A 56 4.038 9.274 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.753 6.974 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.276 7.410 -1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.867 4.575 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.060 5.878 0.391 1.00 0.00 H new ATOM 881 N LEU A 57 1.315 7.608 -2.598 1.00 0.00 N ATOM 882 CA LEU A 57 0.280 7.421 -3.609 1.00 0.00 C ATOM 883 C LEU A 57 -0.225 8.768 -4.115 1.00 0.00 C ATOM 884 O LEU A 57 -0.277 9.011 -5.321 1.00 0.00 O ATOM 885 CB LEU A 57 -0.883 6.604 -3.038 1.00 0.00 C ATOM 886 CG LEU A 57 -1.251 5.355 -3.841 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.376 4.595 -3.157 1.00 0.00 C ATOM 888 CD2 LEU A 57 -1.646 5.733 -5.261 1.00 0.00 C ATOM 0 H LEU A 57 1.086 7.223 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 57 0.715 6.875 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.631 6.303 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.761 7.247 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.377 4.705 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.625 3.710 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.057 4.293 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.254 5.237 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.905 4.833 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.506 6.402 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.811 6.235 -5.750 1.00 0.00 H new ATOM 900 N ALA A 58 -0.594 9.643 -3.184 1.00 0.00 N ATOM 901 CA ALA A 58 -1.090 10.968 -3.535 1.00 0.00 C ATOM 902 C ALA A 58 -0.042 11.751 -4.317 1.00 0.00 C ATOM 903 O ALA A 58 -0.336 12.325 -5.366 1.00 0.00 O ATOM 904 CB ALA A 58 -1.494 11.729 -2.281 1.00 0.00 C ATOM 0 H ALA A 58 -0.559 9.458 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.967 10.847 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.863 12.717 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.280 11.181 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.630 11.835 -1.625 1.00 0.00 H new ATOM 910 N ALA A 59 1.183 11.766 -3.802 1.00 0.00 N ATOM 911 CA ALA A 59 2.277 12.473 -4.455 1.00 0.00 C ATOM 912 C ALA A 59 2.595 11.853 -5.811 1.00 0.00 C ATOM 913 O ALA A 59 3.030 12.541 -6.733 1.00 0.00 O ATOM 914 CB ALA A 59 3.512 12.469 -3.567 1.00 0.00 C ATOM 0 H ALA A 59 1.442 11.296 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 59 1.966 13.505 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.322 13.001 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.283 12.963 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.818 11.441 -3.374 1.00 0.00 H new ATOM 920 N LEU A 60 2.371 10.547 -5.924 1.00 0.00 N ATOM 921 CA LEU A 60 2.630 9.831 -7.167 1.00 0.00 C ATOM 922 C LEU A 60 1.698 10.315 -8.274 1.00 0.00 C ATOM 923 O LEU A 60 2.148 10.716 -9.347 1.00 0.00 O ATOM 924 CB LEU A 60 2.455 8.325 -6.958 1.00 0.00 C ATOM 925 CG LEU A 60 2.608 7.471 -8.218 1.00 0.00 C ATOM 926 CD1 LEU A 60 4.019 7.586 -8.772 1.00 0.00 C ATOM 927 CD2 LEU A 60 2.265 6.019 -7.922 1.00 0.00 C ATOM 0 H LEU A 60 2.011 9.964 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 60 3.658 10.031 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.184 7.990 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.467 8.145 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 60 1.913 7.841 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.109 6.972 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.228 8.626 -9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.733 7.243 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.379 5.426 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.935 5.637 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.235 5.953 -7.572 1.00 0.00 H new ATOM 939 N ARG A 61 0.397 10.276 -8.003 1.00 0.00 N ATOM 940 CA ARG A 61 -0.599 10.713 -8.974 1.00 0.00 C ATOM 941 C ARG A 61 -0.375 12.172 -9.360 1.00 0.00 C ATOM 942 O ARG A 61 -0.567 12.556 -10.514 1.00 0.00 O ATOM 943 CB ARG A 61 -2.008 10.534 -8.404 1.00 0.00 C ATOM 944 CG ARG A 61 -3.104 10.612 -9.456 1.00 0.00 C ATOM 945 CD ARG A 61 -3.977 11.842 -9.264 1.00 0.00 C ATOM 946 NE ARG A 61 -3.471 12.994 -10.007 1.00 0.00 N ATOM 947 CZ ARG A 61 -4.097 14.167 -10.073 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.252 14.347 -9.443 1.00 0.00 N ATOM 949 NH2 ARG A 61 -3.568 15.162 -10.770 1.00 0.00 N ATOM 0 H ARG A 61 0.008 9.946 -7.119 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.496 10.099 -9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.067 9.569 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.186 11.300 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.655 10.635 -10.449 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.722 9.715 -9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.993 11.619 -9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.028 12.089 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.586 12.893 -10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.664 13.584 -8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.727 15.248 -9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.681 15.029 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.048 16.061 -10.821 1.00 0.00 H new ATOM 963 N HIS A 62 0.033 12.978 -8.387 1.00 0.00 N ATOM 964 CA HIS A 62 0.287 14.395 -8.622 1.00 0.00 C ATOM 965 C HIS A 62 1.621 14.599 -9.336 1.00 0.00 C ATOM 966 O HIS A 62 1.810 15.585 -10.048 1.00 0.00 O ATOM 967 CB HIS A 62 0.282 15.161 -7.299 1.00 0.00 C ATOM 968 CG HIS A 62 0.417 16.643 -7.465 1.00 0.00 C ATOM 969 ND1 HIS A 62 -0.665 17.486 -7.606 1.00 0.00 N ATOM 970 CD2 HIS A 62 1.516 17.434 -7.511 1.00 0.00 C ATOM 971 CE1 HIS A 62 -0.238 18.730 -7.733 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.080 18.725 -7.678 1.00 0.00 N ATOM 0 H HIS A 62 0.195 12.675 -7.427 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.508 14.780 -9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.645 14.946 -6.768 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.099 14.798 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.543 17.110 -7.431 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.862 19.602 -7.860 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.679 19.548 -7.748 1.00 0.00 H new ATOM 981 N ALA A 63 2.543 13.659 -9.141 1.00 0.00 N ATOM 982 CA ALA A 63 3.859 13.735 -9.765 1.00 0.00 C ATOM 983 C ALA A 63 3.747 13.884 -11.280 1.00 0.00 C ATOM 984 O ALA A 63 4.636 14.437 -11.926 1.00 0.00 O ATOM 985 CB ALA A 63 4.680 12.504 -9.414 1.00 0.00 C ATOM 0 H ALA A 63 2.402 12.836 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 63 4.364 14.620 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.660 12.573 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.802 12.444 -8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.168 11.611 -9.771 1.00 0.00 H new ATOM 991 N VAL A 64 2.648 13.386 -11.842 1.00 0.00 N ATOM 992 CA VAL A 64 2.422 13.464 -13.281 1.00 0.00 C ATOM 993 C VAL A 64 2.556 14.898 -13.785 1.00 0.00 C ATOM 994 O VAL A 64 2.948 15.130 -14.928 1.00 0.00 O ATOM 995 CB VAL A 64 1.028 12.929 -13.660 1.00 0.00 C ATOM 996 CG1 VAL A 64 0.919 11.445 -13.342 1.00 0.00 C ATOM 997 CG2 VAL A 64 -0.059 13.716 -12.944 1.00 0.00 C ATOM 0 H VAL A 64 1.901 12.925 -11.322 1.00 0.00 H new ATOM 0 HA VAL A 64 3.184 12.844 -13.753 1.00 0.00 H new ATOM 0 HB VAL A 64 0.890 13.057 -14.734 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.073 11.086 -13.617 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.673 10.896 -13.906 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.079 11.289 -12.275 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.037 13.324 -13.224 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.074 13.623 -11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.005 14.766 -13.228 1.00 0.00 H new ATOM 1007 N GLU A 65 2.230 15.855 -12.923 1.00 0.00 N ATOM 1008 CA GLU A 65 2.316 17.267 -13.280 1.00 0.00 C ATOM 1009 C GLU A 65 3.767 17.737 -13.296 1.00 0.00 C ATOM 1010 O GLU A 65 4.127 18.642 -14.049 1.00 0.00 O ATOM 1011 CB GLU A 65 1.505 18.113 -12.297 1.00 0.00 C ATOM 1012 CG GLU A 65 1.356 19.565 -12.724 1.00 0.00 C ATOM 1013 CD GLU A 65 2.209 20.507 -11.897 1.00 0.00 C ATOM 1014 OE1 GLU A 65 2.231 20.354 -10.657 1.00 0.00 O ATOM 1015 OE2 GLU A 65 2.855 21.397 -12.488 1.00 0.00 O ATOM 0 H GLU A 65 1.904 15.679 -11.973 1.00 0.00 H new ATOM 0 HA GLU A 65 1.903 17.389 -14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.514 17.673 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.984 18.078 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.630 19.661 -13.775 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.310 19.859 -12.639 1.00 0.00 H new ATOM 1022 N GLN A 66 4.595 17.117 -12.462 1.00 0.00 N ATOM 1023 CA GLN A 66 6.007 17.475 -12.382 1.00 0.00 C ATOM 1024 C GLN A 66 6.857 16.572 -13.275 1.00 0.00 C ATOM 1025 O GLN A 66 8.074 16.487 -13.105 1.00 0.00 O ATOM 1026 CB GLN A 66 6.495 17.384 -10.935 1.00 0.00 C ATOM 1027 CG GLN A 66 6.425 18.705 -10.185 1.00 0.00 C ATOM 1028 CD GLN A 66 5.533 18.635 -8.960 1.00 0.00 C ATOM 1029 OE1 GLN A 66 5.784 17.858 -8.039 1.00 0.00 O ATOM 1030 NE2 GLN A 66 4.485 19.450 -8.944 1.00 0.00 N ATOM 0 H GLN A 66 4.314 16.365 -11.833 1.00 0.00 H new ATOM 0 HA GLN A 66 6.113 18.501 -12.733 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.897 16.643 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.525 17.027 -10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.430 19.000 -9.882 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.054 19.480 -10.856 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.315 20.078 -9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.850 19.448 -8.146 1.00 0.00 H new ATOM 1039 N GLN A 67 6.213 15.899 -14.226 1.00 0.00 N ATOM 1040 CA GLN A 67 6.916 15.006 -15.142 1.00 0.00 C ATOM 1041 C GLN A 67 7.750 13.981 -14.377 1.00 0.00 C ATOM 1042 O GLN A 67 8.963 13.886 -14.565 1.00 0.00 O ATOM 1043 CB GLN A 67 7.812 15.814 -16.084 1.00 0.00 C ATOM 1044 CG GLN A 67 7.046 16.782 -16.971 1.00 0.00 C ATOM 1045 CD GLN A 67 5.952 16.100 -17.770 1.00 0.00 C ATOM 1046 OE1 GLN A 67 6.189 15.608 -18.873 1.00 0.00 O ATOM 1047 NE2 GLN A 67 4.746 16.067 -17.215 1.00 0.00 N ATOM 0 H GLN A 67 5.207 15.955 -14.382 1.00 0.00 H new ATOM 0 HA GLN A 67 6.171 14.469 -15.730 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.537 16.373 -15.492 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.377 15.126 -16.714 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.605 17.564 -16.353 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.741 17.269 -17.655 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.595 16.488 -16.298 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.971 15.621 -17.706 1.00 0.00 H new ATOM 1056 N GLN A 68 7.091 13.216 -13.514 1.00 0.00 N ATOM 1057 CA GLN A 68 7.771 12.198 -12.720 1.00 0.00 C ATOM 1058 C GLN A 68 7.375 10.798 -13.177 1.00 0.00 C ATOM 1059 O GLN A 68 7.246 9.881 -12.366 1.00 0.00 O ATOM 1060 CB GLN A 68 7.445 12.379 -11.235 1.00 0.00 C ATOM 1061 CG GLN A 68 8.509 13.148 -10.469 1.00 0.00 C ATOM 1062 CD GLN A 68 8.203 13.249 -8.988 1.00 0.00 C ATOM 1063 OE1 GLN A 68 7.911 12.248 -8.333 1.00 0.00 O ATOM 1064 NE2 GLN A 68 8.267 14.462 -8.452 1.00 0.00 N ATOM 0 H GLN A 68 6.087 13.281 -13.346 1.00 0.00 H new ATOM 0 HA GLN A 68 8.845 12.315 -12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.493 12.901 -11.141 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.317 11.398 -10.777 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.474 12.659 -10.604 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.599 14.151 -10.887 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.513 15.264 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.070 14.592 -7.460 1.00 0.00 H new ATOM 1073 N LEU A 69 7.185 10.639 -14.483 1.00 0.00 N ATOM 1074 CA LEU A 69 6.804 9.350 -15.050 1.00 0.00 C ATOM 1075 C LEU A 69 7.832 8.268 -14.717 1.00 0.00 C ATOM 1076 O LEU A 69 7.465 7.152 -14.347 1.00 0.00 O ATOM 1077 CB LEU A 69 6.633 9.462 -16.568 1.00 0.00 C ATOM 1078 CG LEU A 69 5.712 10.591 -17.033 1.00 0.00 C ATOM 1079 CD1 LEU A 69 6.173 11.137 -18.375 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.274 10.101 -17.121 1.00 0.00 C ATOM 0 H LEU A 69 7.289 11.387 -15.169 1.00 0.00 H new ATOM 0 HA LEU A 69 5.852 9.061 -14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.615 9.605 -17.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.243 8.517 -16.945 1.00 0.00 H new ATOM 0 HG LEU A 69 5.758 11.397 -16.301 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.506 11.939 -18.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.187 11.524 -18.281 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.157 10.339 -19.117 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.631 10.916 -17.453 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.213 9.278 -17.833 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.946 9.757 -16.140 1.00 0.00 H new ATOM 1092 N PRO A 70 9.139 8.575 -14.841 1.00 0.00 N ATOM 1093 CA PRO A 70 10.204 7.609 -14.547 1.00 0.00 C ATOM 1094 C PRO A 70 10.170 7.135 -13.098 1.00 0.00 C ATOM 1095 O PRO A 70 10.577 6.014 -12.791 1.00 0.00 O ATOM 1096 CB PRO A 70 11.496 8.389 -14.822 1.00 0.00 C ATOM 1097 CG PRO A 70 11.085 9.532 -15.685 1.00 0.00 C ATOM 1098 CD PRO A 70 9.683 9.873 -15.274 1.00 0.00 C ATOM 0 HA PRO A 70 10.105 6.706 -15.149 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.950 8.739 -13.895 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.235 7.763 -15.322 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.751 10.384 -15.548 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.128 9.260 -16.740 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.666 10.607 -14.468 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.111 10.294 -16.101 1.00 0.00 H new ATOM 1106 N GLN A 71 9.684 7.996 -12.211 1.00 0.00 N ATOM 1107 CA GLN A 71 9.599 7.667 -10.793 1.00 0.00 C ATOM 1108 C GLN A 71 8.402 6.762 -10.509 1.00 0.00 C ATOM 1109 O GLN A 71 8.404 6.001 -9.541 1.00 0.00 O ATOM 1110 CB GLN A 71 9.501 8.946 -9.957 1.00 0.00 C ATOM 1111 CG GLN A 71 10.621 9.095 -8.941 1.00 0.00 C ATOM 1112 CD GLN A 71 11.684 10.083 -9.384 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.177 10.881 -8.587 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.042 10.033 -10.662 1.00 0.00 N ATOM 0 H GLN A 71 9.343 8.927 -12.449 1.00 0.00 H new ATOM 0 HA GLN A 71 10.506 7.129 -10.517 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.510 9.808 -10.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.544 8.957 -9.435 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.202 9.421 -7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.083 8.123 -8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.607 9.355 -11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.752 10.673 -11.018 1.00 0.00 H new ATOM 1123 N VAL A 72 7.381 6.850 -11.357 1.00 0.00 N ATOM 1124 CA VAL A 72 6.180 6.038 -11.192 1.00 0.00 C ATOM 1125 C VAL A 72 6.518 4.551 -11.169 1.00 0.00 C ATOM 1126 O VAL A 72 5.831 3.759 -10.525 1.00 0.00 O ATOM 1127 CB VAL A 72 5.161 6.305 -12.318 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.869 5.542 -12.066 1.00 0.00 C ATOM 1129 CG2 VAL A 72 4.889 7.795 -12.449 1.00 0.00 C ATOM 0 H VAL A 72 7.361 7.474 -12.164 1.00 0.00 H new ATOM 0 HA VAL A 72 5.737 6.321 -10.237 1.00 0.00 H new ATOM 0 HB VAL A 72 5.587 5.951 -13.257 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.164 5.744 -12.872 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.079 4.473 -12.028 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.437 5.861 -11.117 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.168 7.964 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.486 8.175 -11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.818 8.315 -12.682 1.00 0.00 H new ATOM 1139 N ALA A 73 7.580 4.177 -11.876 1.00 0.00 N ATOM 1140 CA ALA A 73 8.006 2.785 -11.934 1.00 0.00 C ATOM 1141 C ALA A 73 8.440 2.286 -10.559 1.00 0.00 C ATOM 1142 O ALA A 73 7.956 1.261 -10.078 1.00 0.00 O ATOM 1143 CB ALA A 73 9.137 2.620 -12.938 1.00 0.00 C ATOM 0 H ALA A 73 8.160 4.819 -12.416 1.00 0.00 H new ATOM 0 HA ALA A 73 7.156 2.184 -12.259 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.445 1.575 -12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.795 2.928 -13.926 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.983 3.238 -12.638 1.00 0.00 H new ATOM 1149 N TRP A 74 9.353 3.019 -9.931 1.00 0.00 N ATOM 1150 CA TRP A 74 9.851 2.652 -8.610 1.00 0.00 C ATOM 1151 C TRP A 74 8.737 2.720 -7.571 1.00 0.00 C ATOM 1152 O TRP A 74 8.549 1.790 -6.787 1.00 0.00 O ATOM 1153 CB TRP A 74 11.002 3.574 -8.201 1.00 0.00 C ATOM 1154 CG TRP A 74 11.981 2.924 -7.272 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.556 1.694 -7.417 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.500 3.469 -6.054 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.401 1.441 -6.364 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.384 2.516 -5.513 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.304 4.671 -5.367 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.069 2.728 -4.320 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.984 4.880 -4.183 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.858 3.913 -3.670 1.00 0.00 C ATOM 0 H TRP A 74 9.763 3.870 -10.315 1.00 0.00 H new ATOM 0 HA TRP A 74 10.216 1.626 -8.659 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.527 3.907 -9.096 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.593 4.464 -7.722 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.373 1.019 -8.240 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.951 0.592 -6.236 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.633 5.423 -5.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.743 1.984 -3.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.839 5.804 -3.644 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.376 4.107 -2.742 1.00 0.00 H new ATOM 1173 N LEU A 75 8.000 3.826 -7.573 1.00 0.00 N ATOM 1174 CA LEU A 75 6.903 4.014 -6.631 1.00 0.00 C ATOM 1175 C LEU A 75 5.807 2.977 -6.860 1.00 0.00 C ATOM 1176 O LEU A 75 5.128 2.560 -5.922 1.00 0.00 O ATOM 1177 CB LEU A 75 6.323 5.423 -6.765 1.00 0.00 C ATOM 1178 CG LEU A 75 7.245 6.550 -6.296 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.046 7.792 -7.151 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.997 6.865 -4.829 1.00 0.00 C ATOM 0 H LEU A 75 8.142 4.605 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 75 7.297 3.885 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.066 5.596 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.395 5.473 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 75 8.278 6.219 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.710 8.583 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.274 7.558 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.011 8.126 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.661 7.669 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.961 7.176 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.191 5.976 -4.228 1.00 0.00 H new ATOM 1192 N ALA A 76 5.642 2.565 -8.113 1.00 0.00 N ATOM 1193 CA ALA A 76 4.630 1.576 -8.464 1.00 0.00 C ATOM 1194 C ALA A 76 4.916 0.239 -7.790 1.00 0.00 C ATOM 1195 O ALA A 76 4.054 -0.322 -7.113 1.00 0.00 O ATOM 1196 CB ALA A 76 4.561 1.404 -9.974 1.00 0.00 C ATOM 0 H ALA A 76 6.196 2.901 -8.901 1.00 0.00 H new ATOM 0 HA ALA A 76 3.665 1.936 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.801 0.663 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.303 2.356 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.529 1.070 -10.347 1.00 0.00 H new ATOM 1202 N GLU A 77 6.131 -0.265 -7.978 1.00 0.00 N ATOM 1203 CA GLU A 77 6.530 -1.537 -7.385 1.00 0.00 C ATOM 1204 C GLU A 77 6.420 -1.484 -5.864 1.00 0.00 C ATOM 1205 O GLU A 77 5.985 -2.445 -5.230 1.00 0.00 O ATOM 1206 CB GLU A 77 7.961 -1.890 -7.799 1.00 0.00 C ATOM 1207 CG GLU A 77 8.068 -3.205 -8.553 1.00 0.00 C ATOM 1208 CD GLU A 77 9.492 -3.721 -8.626 1.00 0.00 C ATOM 1209 OE1 GLU A 77 10.145 -3.813 -7.566 1.00 0.00 O ATOM 1210 OE2 GLU A 77 9.954 -4.032 -9.744 1.00 0.00 O ATOM 0 H GLU A 77 6.856 0.187 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 77 5.855 -2.311 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.358 -1.089 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.587 -1.940 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.440 -3.951 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.681 -3.073 -9.563 1.00 0.00 H new ATOM 1217 N HIS A 78 6.817 -0.355 -5.287 1.00 0.00 N ATOM 1218 CA HIS A 78 6.762 -0.177 -3.841 1.00 0.00 C ATOM 1219 C HIS A 78 5.318 -0.138 -3.353 1.00 0.00 C ATOM 1220 O HIS A 78 4.945 -0.859 -2.427 1.00 0.00 O ATOM 1221 CB HIS A 78 7.485 1.110 -3.436 1.00 0.00 C ATOM 1222 CG HIS A 78 7.853 1.156 -1.985 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.905 1.902 -1.498 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.301 0.541 -0.912 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.986 1.744 -0.189 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.024 0.924 0.191 1.00 0.00 N ATOM 0 H HIS A 78 7.180 0.450 -5.798 1.00 0.00 H new ATOM 0 HA HIS A 78 7.261 -1.027 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.389 1.214 -4.036 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.849 1.964 -3.669 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.524 2.485 -2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.451 -0.126 -0.922 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.715 2.207 0.460 1.00 0.00 H new ATOM 1235 N LEU A 79 4.508 0.707 -3.983 1.00 0.00 N ATOM 1236 CA LEU A 79 3.103 0.839 -3.615 1.00 0.00 C ATOM 1237 C LEU A 79 2.377 -0.496 -3.753 1.00 0.00 C ATOM 1238 O LEU A 79 1.639 -0.909 -2.858 1.00 0.00 O ATOM 1239 CB LEU A 79 2.423 1.898 -4.487 1.00 0.00 C ATOM 1240 CG LEU A 79 2.327 3.290 -3.861 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.935 4.320 -4.908 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.330 3.289 -2.712 1.00 0.00 C ATOM 0 H LEU A 79 4.801 1.311 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 79 3.053 1.152 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.968 1.976 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.417 1.555 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 79 3.307 3.559 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.872 5.304 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.685 4.339 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.967 4.056 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.274 4.287 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.347 2.999 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.654 2.580 -1.950 1.00 0.00 H new ATOM 1254 N ALA A 80 2.592 -1.166 -4.881 1.00 0.00 N ATOM 1255 CA ALA A 80 1.960 -2.454 -5.138 1.00 0.00 C ATOM 1256 C ALA A 80 2.328 -3.472 -4.064 1.00 0.00 C ATOM 1257 O ALA A 80 1.497 -4.280 -3.649 1.00 0.00 O ATOM 1258 CB ALA A 80 2.354 -2.968 -6.514 1.00 0.00 C ATOM 0 H ALA A 80 3.200 -0.837 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 80 0.880 -2.313 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.875 -3.931 -6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.033 -2.256 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.436 -3.087 -6.562 1.00 0.00 H new ATOM 1264 N ALA A 81 3.579 -3.428 -3.618 1.00 0.00 N ATOM 1265 CA ALA A 81 4.057 -4.347 -2.591 1.00 0.00 C ATOM 1266 C ALA A 81 3.391 -4.064 -1.249 1.00 0.00 C ATOM 1267 O ALA A 81 3.098 -4.982 -0.484 1.00 0.00 O ATOM 1268 CB ALA A 81 5.570 -4.253 -2.461 1.00 0.00 C ATOM 0 H ALA A 81 4.280 -2.766 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 81 3.792 -5.360 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.913 -4.944 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.034 -4.511 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.849 -3.236 -2.186 1.00 0.00 H new ATOM 1274 N GLN A 82 3.155 -2.786 -0.970 1.00 0.00 N ATOM 1275 CA GLN A 82 2.524 -2.382 0.280 1.00 0.00 C ATOM 1276 C GLN A 82 1.110 -2.946 0.382 1.00 0.00 C ATOM 1277 O GLN A 82 0.778 -3.645 1.339 1.00 0.00 O ATOM 1278 CB GLN A 82 2.486 -0.856 0.388 1.00 0.00 C ATOM 1279 CG GLN A 82 3.864 -0.215 0.426 1.00 0.00 C ATOM 1280 CD GLN A 82 3.994 0.828 1.519 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.665 0.608 2.527 1.00 0.00 O ATOM 1282 NE2 GLN A 82 3.348 1.973 1.324 1.00 0.00 N ATOM 0 H GLN A 82 3.391 -2.013 -1.593 1.00 0.00 H new ATOM 0 HA GLN A 82 3.116 -2.782 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.930 -0.454 -0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.940 -0.577 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.616 -0.989 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.072 0.248 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.803 2.113 0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.397 2.712 2.025 1.00 0.00 H new ATOM 1291 N LEU A 83 0.283 -2.639 -0.612 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.095 -3.117 -0.636 1.00 0.00 C ATOM 1293 C LEU A 83 -1.144 -4.641 -0.573 1.00 0.00 C ATOM 1294 O LEU A 83 -2.003 -5.217 0.094 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.808 -2.620 -1.897 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.723 -1.412 -1.690 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.068 -0.769 -3.024 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.988 -1.824 -0.951 1.00 0.00 C ATOM 0 H LEU A 83 0.543 -2.061 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.607 -2.720 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.056 -2.364 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.399 -3.438 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.193 -0.678 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.720 0.089 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.153 -0.439 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.579 -1.495 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.628 -0.953 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.521 -2.576 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.723 -2.238 0.022 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.216 -5.286 -1.271 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.153 -6.743 -1.293 1.00 0.00 C ATOM 1312 C GLU A 84 0.114 -7.295 0.103 1.00 0.00 C ATOM 1313 O GLU A 84 -0.467 -8.304 0.504 1.00 0.00 O ATOM 1314 CB GLU A 84 0.937 -7.211 -2.262 1.00 0.00 C ATOM 1315 CG GLU A 84 0.451 -8.240 -3.271 1.00 0.00 C ATOM 1316 CD GLU A 84 0.951 -7.961 -4.675 1.00 0.00 C ATOM 1317 OE1 GLU A 84 0.320 -7.142 -5.377 1.00 0.00 O ATOM 1318 OE2 GLU A 84 1.971 -8.561 -5.073 1.00 0.00 O ATOM 0 H GLU A 84 0.502 -4.824 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.117 -7.122 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.331 -6.347 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.762 -7.636 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.782 -9.231 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.639 -8.254 -3.274 1.00 0.00 H new ATOM 1325 N ALA A 85 0.997 -6.628 0.840 1.00 0.00 N ATOM 1326 CA ALA A 85 1.340 -7.051 2.192 1.00 0.00 C ATOM 1327 C ALA A 85 0.122 -7.004 3.107 1.00 0.00 C ATOM 1328 O ALA A 85 -0.141 -7.945 3.856 1.00 0.00 O ATOM 1329 CB ALA A 85 2.455 -6.180 2.750 1.00 0.00 C ATOM 0 H ALA A 85 1.488 -5.792 0.523 1.00 0.00 H new ATOM 0 HA ALA A 85 1.688 -8.083 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.701 -6.507 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.337 -6.267 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.127 -5.141 2.775 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.620 -5.903 3.042 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.811 -5.735 3.866 1.00 0.00 C ATOM 1337 C ILE A 86 -2.875 -6.767 3.507 1.00 0.00 C ATOM 1338 O ILE A 86 -3.433 -7.428 4.382 1.00 0.00 O ATOM 1339 CB ILE A 86 -2.411 -4.324 3.713 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -1.324 -3.257 3.866 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.520 -4.107 4.732 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.548 -3.361 5.161 1.00 0.00 C ATOM 0 H ILE A 86 -0.417 -5.114 2.428 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.500 -5.877 4.901 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.837 -4.236 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.630 -3.336 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.784 -2.271 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.934 -3.106 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.306 -4.846 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.115 -4.214 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.204 -2.573 5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.230 -3.252 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.058 -4.333 5.214 1.00 0.00 H new ATOM 1354 N ALA A 87 -3.150 -6.899 2.213 1.00 0.00 N ATOM 1355 CA ALA A 87 -4.146 -7.851 1.737 1.00 0.00 C ATOM 1356 C ALA A 87 -3.776 -9.276 2.134 1.00 0.00 C ATOM 1357 O ALA A 87 -4.635 -10.064 2.528 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.299 -7.743 0.228 1.00 0.00 C ATOM 0 H ALA A 87 -2.697 -6.359 1.476 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.100 -7.608 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.046 -8.459 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.617 -6.734 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.344 -7.958 -0.251 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.491 -9.599 2.026 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.007 -10.929 2.374 1.00 0.00 C ATOM 1366 C ARG A 88 -2.283 -11.240 3.842 1.00 0.00 C ATOM 1367 O ARG A 88 -2.704 -12.345 4.185 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.507 -11.040 2.085 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.182 -11.947 0.908 1.00 0.00 C ATOM 1370 CD ARG A 88 0.750 -11.268 -0.082 1.00 0.00 C ATOM 1371 NE ARG A 88 2.153 -11.572 0.189 1.00 0.00 N ATOM 1372 CZ ARG A 88 3.173 -10.919 -0.364 1.00 0.00 C ATOM 1373 NH1 ARG A 88 2.952 -9.927 -1.217 1.00 0.00 N ATOM 1374 NH2 ARG A 88 4.419 -11.260 -0.063 1.00 0.00 N ATOM 0 H ARG A 88 -1.767 -8.958 1.701 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.540 -11.657 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.108 -10.045 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.000 -11.416 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.280 -12.865 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.105 -12.233 0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.499 -11.587 -1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.598 -10.189 -0.041 1.00 0.00 H new ATOM 0 HE ARG A 88 2.363 -12.329 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.996 -9.660 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.738 -9.431 -1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.595 -12.022 0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.201 -10.760 -0.486 1.00 0.00 H new ATOM 1388 N GLU A 89 -2.046 -10.257 4.705 1.00 0.00 N ATOM 1389 CA GLU A 89 -2.271 -10.425 6.136 1.00 0.00 C ATOM 1390 C GLU A 89 -3.747 -10.684 6.425 1.00 0.00 C ATOM 1391 O GLU A 89 -4.093 -11.610 7.157 1.00 0.00 O ATOM 1392 CB GLU A 89 -1.798 -9.185 6.898 1.00 0.00 C ATOM 1393 CG GLU A 89 -0.406 -9.330 7.490 1.00 0.00 C ATOM 1394 CD GLU A 89 0.084 -8.053 8.146 1.00 0.00 C ATOM 1395 OE1 GLU A 89 0.436 -7.106 7.412 1.00 0.00 O ATOM 1396 OE2 GLU A 89 0.115 -8.001 9.393 1.00 0.00 O ATOM 0 H GLU A 89 -1.698 -9.336 4.438 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.696 -11.288 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.810 -8.328 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.504 -8.970 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.410 -10.134 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.291 -9.621 6.704 1.00 0.00 H new ATOM 1403 N ALA A 90 -4.611 -9.858 5.843 1.00 0.00 N ATOM 1404 CA ALA A 90 -6.049 -9.996 6.037 1.00 0.00 C ATOM 1405 C ALA A 90 -6.536 -11.366 5.578 1.00 0.00 C ATOM 1406 O ALA A 90 -7.269 -12.048 6.294 1.00 0.00 O ATOM 1407 CB ALA A 90 -6.789 -8.894 5.293 1.00 0.00 C ATOM 0 H ALA A 90 -4.340 -9.086 5.233 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.258 -9.904 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.862 -9.009 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.470 -7.923 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.565 -8.960 4.228 1.00 0.00 H new ATOM 1413 N SER A 91 -6.122 -11.764 4.379 1.00 0.00 N ATOM 1414 CA SER A 91 -6.515 -13.053 3.825 1.00 0.00 C ATOM 1415 C SER A 91 -5.870 -14.198 4.600 1.00 0.00 C ATOM 1416 O SER A 91 -6.432 -15.289 4.697 1.00 0.00 O ATOM 1417 CB SER A 91 -6.124 -13.138 2.348 1.00 0.00 C ATOM 1418 OG SER A 91 -7.112 -13.824 1.598 1.00 0.00 O ATOM 0 H SER A 91 -5.515 -11.212 3.773 1.00 0.00 H new ATOM 0 HA SER A 91 -7.598 -13.143 3.913 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.989 -12.134 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.167 -13.651 2.251 1.00 0.00 H new ATOM 0 HG SER A 91 -6.840 -13.864 0.657 1.00 0.00 H new ATOM 1424 N ALA A 92 -4.688 -13.942 5.150 1.00 0.00 N ATOM 1425 CA ALA A 92 -3.967 -14.951 5.917 1.00 0.00 C ATOM 1426 C ALA A 92 -4.764 -15.380 7.145 1.00 0.00 C ATOM 1427 O ALA A 92 -4.877 -16.570 7.438 1.00 0.00 O ATOM 1428 CB ALA A 92 -2.601 -14.425 6.329 1.00 0.00 C ATOM 0 H ALA A 92 -4.209 -13.044 5.079 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.830 -15.826 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.074 -15.189 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.024 -14.175 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.725 -13.533 6.943 1.00 0.00 H new ATOM 1434 N TRP A 93 -5.314 -14.403 7.859 1.00 0.00 N ATOM 1435 CA TRP A 93 -6.101 -14.682 9.056 1.00 0.00 C ATOM 1436 C TRP A 93 -7.303 -15.559 8.724 1.00 0.00 C ATOM 1437 O TRP A 93 -7.717 -16.393 9.530 1.00 0.00 O ATOM 1438 CB TRP A 93 -6.571 -13.377 9.702 1.00 0.00 C ATOM 1439 CG TRP A 93 -5.515 -12.315 9.738 1.00 0.00 C ATOM 1440 CD1 TRP A 93 -5.644 -11.017 9.336 1.00 0.00 C ATOM 1441 CD2 TRP A 93 -4.168 -12.461 10.198 1.00 0.00 C ATOM 1442 NE1 TRP A 93 -4.459 -10.347 9.518 1.00 0.00 N ATOM 1443 CE2 TRP A 93 -3.537 -11.212 10.047 1.00 0.00 C ATOM 1444 CE3 TRP A 93 -3.434 -13.527 10.725 1.00 0.00 C ATOM 1445 CZ2 TRP A 93 -2.207 -11.002 10.402 1.00 0.00 C ATOM 1446 CZ3 TRP A 93 -2.114 -13.317 11.078 1.00 0.00 C ATOM 1447 CH2 TRP A 93 -1.512 -12.063 10.916 1.00 0.00 C ATOM 0 H TRP A 93 -5.230 -13.413 7.630 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.465 -15.218 9.760 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -7.435 -13.001 9.155 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -6.903 -13.583 10.720 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -6.546 -10.581 8.934 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -4.292 -9.366 9.296 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.890 -14.498 10.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -1.740 -10.036 10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.537 -14.134 11.486 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -0.479 -11.931 11.202 1.00 0.00 H new ATOM 1458 N SER A 94 -7.860 -15.365 7.533 1.00 0.00 N ATOM 1459 CA SER A 94 -9.015 -16.140 7.094 1.00 0.00 C ATOM 1460 C SER A 94 -8.694 -17.630 7.071 1.00 0.00 C ATOM 1461 O SER A 94 -7.644 -18.042 6.578 1.00 0.00 O ATOM 1462 CB SER A 94 -9.465 -15.682 5.705 1.00 0.00 C ATOM 1463 OG SER A 94 -10.478 -14.694 5.797 1.00 0.00 O ATOM 0 H SER A 94 -7.530 -14.678 6.855 1.00 0.00 H new ATOM 0 HA SER A 94 -9.824 -15.972 7.804 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.612 -15.283 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.836 -16.537 5.139 1.00 0.00 H new ATOM 0 HG SER A 94 -10.747 -14.417 4.896 1.00 0.00 H new ATOM 1469 N LEU A 95 -9.605 -18.435 7.609 1.00 0.00 N ATOM 1470 CA LEU A 95 -9.417 -19.880 7.650 1.00 0.00 C ATOM 1471 C LEU A 95 -8.169 -20.243 8.449 1.00 0.00 C ATOM 1472 O LEU A 95 -7.409 -21.132 8.064 1.00 0.00 O ATOM 1473 CB LEU A 95 -9.313 -20.443 6.231 1.00 0.00 C ATOM 1474 CG LEU A 95 -9.666 -21.926 6.094 1.00 0.00 C ATOM 1475 CD1 LEU A 95 -10.459 -22.173 4.820 1.00 0.00 C ATOM 1476 CD2 LEU A 95 -8.405 -22.777 6.111 1.00 0.00 C ATOM 0 H LEU A 95 -10.480 -18.111 8.022 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.283 -20.321 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.970 -19.867 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.295 -20.293 5.871 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.286 -22.211 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.700 -23.233 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.381 -21.592 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.865 -21.871 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.674 -23.829 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.760 -22.488 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.876 -22.625 7.052 1.00 0.00 H new ATOM 1488 N ARG A 96 -7.965 -19.550 9.564 1.00 0.00 N ATOM 1489 CA ARG A 96 -6.810 -19.799 10.418 1.00 0.00 C ATOM 1490 C ARG A 96 -7.068 -19.310 11.841 1.00 0.00 C ATOM 1491 O ARG A 96 -6.137 -18.954 12.563 1.00 0.00 O ATOM 1492 CB ARG A 96 -5.568 -19.112 9.844 1.00 0.00 C ATOM 1493 CG ARG A 96 -4.344 -20.012 9.792 1.00 0.00 C ATOM 1494 CD ARG A 96 -3.181 -19.330 9.090 1.00 0.00 C ATOM 1495 NE ARG A 96 -2.319 -20.287 8.401 1.00 0.00 N ATOM 1496 CZ ARG A 96 -2.606 -20.826 7.218 1.00 0.00 C ATOM 1497 NH1 ARG A 96 -3.729 -20.504 6.589 1.00 0.00 N ATOM 1498 NH2 ARG A 96 -1.766 -21.688 6.662 1.00 0.00 N ATOM 0 H ARG A 96 -8.585 -18.811 9.897 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.638 -20.875 10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.791 -18.758 8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.338 -18.234 10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.049 -20.286 10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.593 -20.937 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.566 -18.606 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.593 -18.773 9.820 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.446 -20.558 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.378 -19.840 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.943 -20.920 5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.901 -21.938 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.985 -22.101 5.756 1.00 0.00 H new ATOM 1512 N GLU A 97 -8.337 -19.297 12.236 1.00 0.00 N ATOM 1513 CA GLU A 97 -8.717 -18.853 13.572 1.00 0.00 C ATOM 1514 C GLU A 97 -8.288 -17.407 13.810 1.00 0.00 C ATOM 1515 O GLU A 97 -7.098 -17.112 13.919 1.00 0.00 O ATOM 1516 CB GLU A 97 -8.097 -19.767 14.632 1.00 0.00 C ATOM 1517 CG GLU A 97 -9.123 -20.551 15.434 1.00 0.00 C ATOM 1518 CD GLU A 97 -8.754 -22.014 15.583 1.00 0.00 C ATOM 1519 OE1 GLU A 97 -8.266 -22.607 14.598 1.00 0.00 O ATOM 1520 OE2 GLU A 97 -8.955 -22.567 16.685 1.00 0.00 O ATOM 0 H GLU A 97 -9.119 -19.589 11.650 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.803 -18.905 13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.418 -20.466 14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.498 -19.164 15.315 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.225 -20.103 16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.095 -20.473 14.947 1.00 0.00 H new ATOM 1527 N TRP A 98 -9.267 -16.511 13.891 1.00 0.00 N ATOM 1528 CA TRP A 98 -8.991 -15.097 14.118 1.00 0.00 C ATOM 1529 C TRP A 98 -8.966 -14.782 15.611 1.00 0.00 C ATOM 1530 O TRP A 98 -7.990 -14.147 16.064 1.00 0.00 O ATOM 1531 CB TRP A 98 -10.043 -14.233 13.419 1.00 0.00 C ATOM 1532 CG TRP A 98 -9.813 -12.762 13.588 1.00 0.00 C ATOM 1533 CD1 TRP A 98 -9.964 -12.035 14.734 1.00 0.00 C ATOM 1534 CD2 TRP A 98 -9.393 -11.837 12.578 1.00 0.00 C ATOM 1535 NE1 TRP A 98 -9.663 -10.716 14.499 1.00 0.00 N ATOM 1536 CE2 TRP A 98 -9.310 -10.568 13.183 1.00 0.00 C ATOM 1537 CE3 TRP A 98 -9.079 -11.958 11.221 1.00 0.00 C ATOM 1538 CZ2 TRP A 98 -8.925 -9.431 12.478 1.00 0.00 C ATOM 1539 CZ3 TRP A 98 -8.697 -10.828 10.523 1.00 0.00 C ATOM 1540 CH2 TRP A 98 -8.623 -9.579 11.152 1.00 0.00 C ATOM 1541 OXT TRP A 98 -9.922 -15.172 16.313 1.00 0.00 O ATOM 0 H TRP A 98 -10.257 -16.739 13.803 1.00 0.00 H new ATOM 0 HA TRP A 98 -8.010 -14.871 13.701 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -10.051 -14.472 12.356 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -11.028 -14.486 13.810 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -10.275 -12.439 15.686 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -9.697 -9.968 15.191 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -9.134 -12.917 10.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -8.867 -8.467 12.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.451 -10.910 9.474 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -8.321 -8.715 10.579 1.00 0.00 H new TER 1552 TRP A 98