USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1169 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 53 GLN : amide:sc= 0.0265 K(o=-0.65,f=-6.5!) USER MOD Set 1.2: A 85 HIS : no HE2:sc= -0.677 K(o=-0.65,f=-5.4!) USER MOD Set 2.1: A 48 ASN : amide:sc= 0.527 K(o=-4.6,f=-6.4) USER MOD Set 2.2: A 82 GLN :FLIP amide:sc= -5.17! F(o=-6.1,f=-4.6!) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.0747 X(o=0.15,f=0) USER MOD Set 3.2: A 43 LYS NZ :NH3+ 145:sc= 0.0712 (180deg=0) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -0.077 X(o=-0.48,f=-0.38) USER MOD Set 4.2: A 37 CYS SG : rot -140:sc= -0.407 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -59:sc= 0.777 USER MOD Single : A 5 SER OG : rot 31:sc= 0.927 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= -0.0166 (180deg=-0.207) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -120:sc= -0.122 (180deg=-0.52) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0331) USER MOD Single : A 39 GLN :FLIP amide:sc= -1.4 F(o=-2.6!,f=-1.4) USER MOD Single : A 40 MET CE :methyl -167:sc= 0 (180deg=-0.0422) USER MOD Single : A 42 ASN : amide:sc= -6.88! C(o=-6.9!,f=-7.4!) USER MOD Single : A 46 MET CE :methyl 145:sc=-0.00789 (180deg=-0.557) USER MOD Single : A 50 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.4) USER MOD Single : A 51 ASN :FLIP amide:sc= -3.49! C(o=-6!,f=-3.5!) USER MOD Single : A 57 CYS SG : rot -19:sc= 0.061 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.182 F(o=-0.77,f=-0.18) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.47! C(o=-2.5!,f=-3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.07 K(o=1.1,f=-0.0073) USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= -0.101 (180deg=-2.49!) USER MOD Single : A 72 ASN : amide:sc= -1.02 K(o=-1,f=-2.7) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -4.04! C(o=-5.4!,f=-4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -61:sc= 1.24 USER MOD Single : A 91 GLN : amide:sc= -0.0667 K(o=-0.067,f=-0.75) USER MOD Single : A 93 TYR OH : rot 15:sc= -0.92 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot -60:sc= -0.296 USER MOD Single : A 98 LYS NZ :NH3+ 138:sc= -0.651 (180deg=-2.27!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -90:sc= 0 USER MOD Single : A 112 THR OG1 : rot -170:sc= -0.566 USER MOD Single : A 114 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.1!) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= -0.0136 (180deg=-0.83) USER MOD Single : A 120 HIS :FLIP no HE2:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.5) USER MOD Single : A 132 THR OG1 : rot -78:sc= 0.75 USER MOD Single : A 138 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 140 GLN : amide:sc= -2.19! C(o=-2.2!,f=-3.3!) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.599 22.789 -55.545 1.00 0.00 N ATOM 2 CA GLY A 1 -6.100 21.659 -54.785 1.00 0.00 C ATOM 3 C GLY A 1 -6.830 22.084 -53.526 1.00 0.00 C ATOM 4 O GLY A 1 -6.228 22.643 -52.610 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.108 22.445 -56.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.394 23.398 -55.826 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.935 23.335 -54.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.773 21.074 -55.411 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.268 21.008 -54.517 1.00 0.00 H new ATOM 8 N SER A 2 -8.132 21.821 -53.482 1.00 0.00 N ATOM 9 CA SER A 2 -8.947 22.186 -52.328 1.00 0.00 C ATOM 10 C SER A 2 -8.389 21.565 -51.051 1.00 0.00 C ATOM 11 O SER A 2 -8.143 22.261 -50.066 1.00 0.00 O ATOM 12 CB SER A 2 -10.394 21.737 -52.537 1.00 0.00 C ATOM 13 OG SER A 2 -10.933 22.287 -53.726 1.00 0.00 O ATOM 0 H SER A 2 -8.645 21.357 -54.231 1.00 0.00 H new ATOM 0 HA SER A 2 -8.922 23.271 -52.225 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.437 20.649 -52.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.000 22.043 -51.684 1.00 0.00 H new ATOM 0 HG SER A 2 -11.858 21.983 -53.837 1.00 0.00 H new ATOM 19 N SER A 3 -8.192 20.251 -51.077 1.00 0.00 N ATOM 20 CA SER A 3 -7.667 19.534 -49.921 1.00 0.00 C ATOM 21 C SER A 3 -8.645 19.597 -48.752 1.00 0.00 C ATOM 22 O SER A 3 -8.248 19.805 -47.606 1.00 0.00 O ATOM 23 CB SER A 3 -6.316 20.118 -49.502 1.00 0.00 C ATOM 24 OG SER A 3 -5.764 19.398 -48.414 1.00 0.00 O ATOM 0 H SER A 3 -8.388 19.661 -51.886 1.00 0.00 H new ATOM 0 HA SER A 3 -7.532 18.490 -50.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.627 20.091 -50.346 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.439 21.165 -49.224 1.00 0.00 H new ATOM 0 HG SER A 3 -6.382 19.428 -47.654 1.00 0.00 H new ATOM 30 N GLY A 4 -9.928 19.416 -49.051 1.00 0.00 N ATOM 31 CA GLY A 4 -10.944 19.457 -48.016 1.00 0.00 C ATOM 32 C GLY A 4 -11.620 18.115 -47.814 1.00 0.00 C ATOM 33 O GLY A 4 -11.840 17.373 -48.772 1.00 0.00 O ATOM 0 H GLY A 4 -10.282 19.242 -49.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.490 19.777 -47.078 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.695 20.203 -48.277 1.00 0.00 H new ATOM 37 N SER A 5 -11.948 17.801 -46.565 1.00 0.00 N ATOM 38 CA SER A 5 -12.598 16.537 -46.240 1.00 0.00 C ATOM 39 C SER A 5 -13.266 16.606 -44.870 1.00 0.00 C ATOM 40 O SER A 5 -13.023 17.530 -44.095 1.00 0.00 O ATOM 41 CB SER A 5 -11.580 15.395 -46.267 1.00 0.00 C ATOM 42 OG SER A 5 -11.416 14.889 -47.581 1.00 0.00 O ATOM 0 H SER A 5 -11.774 18.405 -45.761 1.00 0.00 H new ATOM 0 HA SER A 5 -13.366 16.348 -46.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.621 15.749 -45.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.909 14.595 -45.604 1.00 0.00 H new ATOM 0 HG SER A 5 -11.559 15.610 -48.229 1.00 0.00 H new ATOM 48 N SER A 6 -14.109 15.620 -44.580 1.00 0.00 N ATOM 49 CA SER A 6 -14.816 15.569 -43.306 1.00 0.00 C ATOM 50 C SER A 6 -15.246 14.143 -42.979 1.00 0.00 C ATOM 51 O SER A 6 -15.026 13.221 -43.764 1.00 0.00 O ATOM 52 CB SER A 6 -16.039 16.488 -43.340 1.00 0.00 C ATOM 53 OG SER A 6 -16.365 16.954 -42.042 1.00 0.00 O ATOM 0 H SER A 6 -14.319 14.846 -45.210 1.00 0.00 H new ATOM 0 HA SER A 6 -14.135 15.911 -42.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.842 17.337 -43.995 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.889 15.951 -43.761 1.00 0.00 H new ATOM 0 HG SER A 6 -17.149 17.540 -42.092 1.00 0.00 H new ATOM 59 N GLY A 7 -15.862 13.969 -41.813 1.00 0.00 N ATOM 60 CA GLY A 7 -16.313 12.652 -41.402 1.00 0.00 C ATOM 61 C GLY A 7 -15.923 12.325 -39.975 1.00 0.00 C ATOM 62 O GLY A 7 -14.741 12.339 -39.629 1.00 0.00 O ATOM 0 H GLY A 7 -16.056 14.716 -41.146 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.397 12.595 -41.501 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.892 11.902 -42.071 1.00 0.00 H new ATOM 66 N ILE A 8 -16.917 12.032 -39.143 1.00 0.00 N ATOM 67 CA ILE A 8 -16.671 11.701 -37.745 1.00 0.00 C ATOM 68 C ILE A 8 -17.419 10.435 -37.340 1.00 0.00 C ATOM 69 O ILE A 8 -18.648 10.389 -37.378 1.00 0.00 O ATOM 70 CB ILE A 8 -17.090 12.852 -36.812 1.00 0.00 C ATOM 71 CG1 ILE A 8 -16.742 12.513 -35.361 1.00 0.00 C ATOM 72 CG2 ILE A 8 -18.578 13.134 -36.954 1.00 0.00 C ATOM 73 CD1 ILE A 8 -16.771 13.711 -34.437 1.00 0.00 C ATOM 0 H ILE A 8 -17.900 12.017 -39.413 1.00 0.00 H new ATOM 0 HA ILE A 8 -15.599 11.535 -37.644 1.00 0.00 H new ATOM 0 HB ILE A 8 -16.542 13.750 -37.097 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.443 11.764 -34.993 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -15.749 12.064 -35.329 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -18.859 13.950 -36.288 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -18.799 13.414 -37.984 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -19.144 12.240 -36.692 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.515 13.397 -33.425 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.050 14.453 -34.780 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.770 14.148 -34.439 1.00 0.00 H new ATOM 85 N ASP A 9 -16.668 9.410 -36.951 1.00 0.00 N ATOM 86 CA ASP A 9 -17.260 8.144 -36.536 1.00 0.00 C ATOM 87 C ASP A 9 -16.296 7.358 -35.652 1.00 0.00 C ATOM 88 O ASP A 9 -15.139 7.142 -36.014 1.00 0.00 O ATOM 89 CB ASP A 9 -17.644 7.310 -37.759 1.00 0.00 C ATOM 90 CG ASP A 9 -18.851 7.870 -38.486 1.00 0.00 C ATOM 91 OD1 ASP A 9 -19.868 8.152 -37.817 1.00 0.00 O ATOM 92 OD2 ASP A 9 -18.779 8.027 -39.722 1.00 0.00 O ATOM 0 H ASP A 9 -15.649 9.431 -36.915 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.158 8.363 -35.959 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.798 7.266 -38.445 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.854 6.287 -37.446 1.00 0.00 H new ATOM 97 N LYS A 10 -16.780 6.933 -34.490 1.00 0.00 N ATOM 98 CA LYS A 10 -15.963 6.171 -33.553 1.00 0.00 C ATOM 99 C LYS A 10 -16.781 5.066 -32.892 1.00 0.00 C ATOM 100 O LYS A 10 -17.574 5.324 -31.985 1.00 0.00 O ATOM 101 CB LYS A 10 -15.379 7.097 -32.483 1.00 0.00 C ATOM 102 CG LYS A 10 -14.282 8.010 -33.003 1.00 0.00 C ATOM 103 CD LYS A 10 -12.932 7.313 -33.006 1.00 0.00 C ATOM 104 CE LYS A 10 -11.793 8.303 -32.816 1.00 0.00 C ATOM 105 NZ LYS A 10 -11.375 8.922 -34.104 1.00 0.00 N ATOM 0 H LYS A 10 -17.735 7.104 -34.174 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.148 5.711 -34.111 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.180 7.707 -32.065 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.981 6.492 -31.668 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.527 8.335 -34.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.229 8.906 -32.384 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.904 6.568 -32.211 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.799 6.780 -33.947 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.103 9.084 -32.122 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.941 7.794 -32.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.597 9.590 -33.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.055 8.180 -34.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.181 9.429 -34.523 1.00 0.00 H new ATOM 119 N LYS A 11 -16.582 3.835 -33.349 1.00 0.00 N ATOM 120 CA LYS A 11 -17.299 2.689 -32.801 1.00 0.00 C ATOM 121 C LYS A 11 -16.542 1.393 -33.073 1.00 0.00 C ATOM 122 O LYS A 11 -16.163 1.111 -34.211 1.00 0.00 O ATOM 123 CB LYS A 11 -18.705 2.607 -33.400 1.00 0.00 C ATOM 124 CG LYS A 11 -18.729 2.725 -34.914 1.00 0.00 C ATOM 125 CD LYS A 11 -19.940 2.025 -35.508 1.00 0.00 C ATOM 126 CE LYS A 11 -19.842 1.933 -37.023 1.00 0.00 C ATOM 127 NZ LYS A 11 -18.769 0.994 -37.454 1.00 0.00 N ATOM 0 H LYS A 11 -15.929 3.605 -34.098 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.378 2.823 -31.722 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.159 1.659 -33.111 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.320 3.399 -32.972 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.740 3.777 -35.198 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.818 2.293 -35.328 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.026 1.024 -35.086 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.846 2.566 -35.233 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.798 1.603 -37.429 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.645 2.923 -37.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.904 0.749 -38.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.841 1.447 -37.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.812 0.130 -36.877 1.00 0.00 H new ATOM 141 N LEU A 12 -16.326 0.608 -32.024 1.00 0.00 N ATOM 142 CA LEU A 12 -15.616 -0.660 -32.150 1.00 0.00 C ATOM 143 C LEU A 12 -16.089 -1.656 -31.096 1.00 0.00 C ATOM 144 O LEU A 12 -16.703 -1.277 -30.098 1.00 0.00 O ATOM 145 CB LEU A 12 -14.108 -0.438 -32.018 1.00 0.00 C ATOM 146 CG LEU A 12 -13.364 -0.096 -33.310 1.00 0.00 C ATOM 147 CD1 LEU A 12 -12.093 0.679 -33.005 1.00 0.00 C ATOM 148 CD2 LEU A 12 -13.044 -1.363 -34.091 1.00 0.00 C ATOM 0 H LEU A 12 -16.632 0.827 -31.076 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.831 -1.072 -33.136 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.941 0.367 -31.302 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.664 -1.339 -31.594 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.009 0.533 -33.923 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.577 0.913 -33.936 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.346 1.604 -32.488 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.442 0.076 -32.372 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.515 -1.102 -35.007 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.417 -2.016 -33.484 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.970 -1.880 -34.342 1.00 0.00 H new ATOM 160 N THR A 13 -15.797 -2.933 -31.323 1.00 0.00 N ATOM 161 CA THR A 13 -16.191 -3.984 -30.394 1.00 0.00 C ATOM 162 C THR A 13 -15.314 -5.221 -30.558 1.00 0.00 C ATOM 163 O THR A 13 -15.283 -5.835 -31.625 1.00 0.00 O ATOM 164 CB THR A 13 -17.665 -4.384 -30.590 1.00 0.00 C ATOM 165 OG1 THR A 13 -17.996 -5.475 -29.723 1.00 0.00 O ATOM 166 CG2 THR A 13 -17.931 -4.779 -32.035 1.00 0.00 C ATOM 0 H THR A 13 -15.289 -3.264 -32.143 1.00 0.00 H new ATOM 0 HA THR A 13 -16.062 -3.582 -29.389 1.00 0.00 H new ATOM 0 HB THR A 13 -18.288 -3.524 -30.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.935 -5.722 -29.853 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.979 -5.058 -32.149 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.706 -3.937 -32.690 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.299 -5.626 -32.303 1.00 0.00 H new ATOM 174 N THR A 14 -14.603 -5.582 -29.495 1.00 0.00 N ATOM 175 CA THR A 14 -13.725 -6.745 -29.522 1.00 0.00 C ATOM 176 C THR A 14 -13.329 -7.168 -28.112 1.00 0.00 C ATOM 177 O THR A 14 -13.254 -6.340 -27.202 1.00 0.00 O ATOM 178 CB THR A 14 -12.450 -6.468 -30.340 1.00 0.00 C ATOM 179 OG1 THR A 14 -11.791 -7.700 -30.654 1.00 0.00 O ATOM 180 CG2 THR A 14 -11.500 -5.561 -29.571 1.00 0.00 C ATOM 0 H THR A 14 -14.618 -5.086 -28.604 1.00 0.00 H new ATOM 0 HA THR A 14 -14.284 -7.551 -29.997 1.00 0.00 H new ATOM 0 HB THR A 14 -12.740 -5.966 -31.263 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.982 -7.515 -31.176 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.607 -5.379 -30.169 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.994 -4.613 -29.359 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.218 -6.040 -28.634 1.00 0.00 H new ATOM 188 N LEU A 15 -13.075 -8.459 -27.936 1.00 0.00 N ATOM 189 CA LEU A 15 -12.685 -8.992 -26.635 1.00 0.00 C ATOM 190 C LEU A 15 -11.476 -9.914 -26.764 1.00 0.00 C ATOM 191 O LEU A 15 -11.435 -10.781 -27.636 1.00 0.00 O ATOM 192 CB LEU A 15 -13.853 -9.750 -26.001 1.00 0.00 C ATOM 193 CG LEU A 15 -14.733 -10.552 -26.961 1.00 0.00 C ATOM 194 CD1 LEU A 15 -15.488 -11.638 -26.212 1.00 0.00 C ATOM 195 CD2 LEU A 15 -15.701 -9.632 -27.691 1.00 0.00 C ATOM 0 H LEU A 15 -13.132 -9.157 -28.678 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.413 -8.154 -25.994 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.453 -10.432 -25.251 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -14.483 -9.032 -25.476 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.090 -11.030 -27.700 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.109 -12.198 -26.911 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -14.777 -12.314 -25.736 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.120 -11.182 -25.450 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.319 -10.219 -28.370 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.338 -9.125 -26.966 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -15.140 -8.891 -28.261 1.00 0.00 H new ATOM 207 N ALA A 16 -10.495 -9.720 -25.889 1.00 0.00 N ATOM 208 CA ALA A 16 -9.287 -10.536 -25.902 1.00 0.00 C ATOM 209 C ALA A 16 -8.472 -10.331 -24.630 1.00 0.00 C ATOM 210 O ALA A 16 -8.720 -9.397 -23.866 1.00 0.00 O ATOM 211 CB ALA A 16 -8.447 -10.215 -27.129 1.00 0.00 C ATOM 0 H ALA A 16 -10.513 -9.005 -25.162 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.586 -11.583 -25.944 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.548 -10.831 -27.126 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.025 -10.421 -28.030 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.165 -9.162 -27.112 1.00 0.00 H new ATOM 217 N ASP A 17 -7.499 -11.208 -24.409 1.00 0.00 N ATOM 218 CA ASP A 17 -6.646 -11.122 -23.229 1.00 0.00 C ATOM 219 C ASP A 17 -6.049 -9.725 -23.091 1.00 0.00 C ATOM 220 O ASP A 17 -5.852 -9.021 -24.082 1.00 0.00 O ATOM 221 CB ASP A 17 -5.527 -12.162 -23.305 1.00 0.00 C ATOM 222 CG ASP A 17 -6.059 -13.581 -23.358 1.00 0.00 C ATOM 223 OD1 ASP A 17 -7.134 -13.833 -22.774 1.00 0.00 O ATOM 224 OD2 ASP A 17 -5.401 -14.439 -23.982 1.00 0.00 O ATOM 0 H ASP A 17 -7.281 -11.986 -25.031 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.261 -11.324 -22.352 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.918 -11.972 -24.189 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.875 -12.054 -22.439 1.00 0.00 H new ATOM 229 N LEU A 18 -5.764 -9.329 -21.855 1.00 0.00 N ATOM 230 CA LEU A 18 -5.190 -8.015 -21.586 1.00 0.00 C ATOM 231 C LEU A 18 -3.746 -7.941 -22.072 1.00 0.00 C ATOM 232 O LEU A 18 -2.905 -8.750 -21.677 1.00 0.00 O ATOM 233 CB LEU A 18 -5.253 -7.706 -20.089 1.00 0.00 C ATOM 234 CG LEU A 18 -6.535 -7.033 -19.596 1.00 0.00 C ATOM 235 CD1 LEU A 18 -6.688 -5.654 -20.219 1.00 0.00 C ATOM 236 CD2 LEU A 18 -7.746 -7.900 -19.910 1.00 0.00 C ATOM 0 H LEU A 18 -5.921 -9.899 -21.024 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.775 -7.273 -22.129 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.122 -8.638 -19.540 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.409 -7.065 -19.835 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.468 -6.914 -18.515 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.606 -5.191 -19.856 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.835 -5.034 -19.944 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.733 -5.748 -21.304 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.650 -7.406 -19.552 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.817 -8.050 -20.987 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.640 -8.866 -19.415 1.00 0.00 H new ATOM 248 N PHE A 19 -3.464 -6.965 -22.928 1.00 0.00 N ATOM 249 CA PHE A 19 -2.121 -6.785 -23.467 1.00 0.00 C ATOM 250 C PHE A 19 -1.168 -6.270 -22.392 1.00 0.00 C ATOM 251 O PHE A 19 -0.126 -6.871 -22.132 1.00 0.00 O ATOM 252 CB PHE A 19 -2.149 -5.813 -24.648 1.00 0.00 C ATOM 253 CG PHE A 19 -3.302 -6.039 -25.584 1.00 0.00 C ATOM 254 CD1 PHE A 19 -4.555 -5.522 -25.298 1.00 0.00 C ATOM 255 CD2 PHE A 19 -3.132 -6.768 -26.750 1.00 0.00 C ATOM 256 CE1 PHE A 19 -5.618 -5.729 -26.156 1.00 0.00 C ATOM 257 CE2 PHE A 19 -4.191 -6.978 -27.613 1.00 0.00 C ATOM 258 CZ PHE A 19 -5.435 -6.457 -27.316 1.00 0.00 C ATOM 0 H PHE A 19 -4.148 -6.286 -23.264 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.762 -7.755 -23.812 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.195 -4.793 -24.267 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.216 -5.904 -25.205 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.703 -4.950 -24.394 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.161 -7.177 -26.987 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.590 -5.322 -25.920 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.046 -7.549 -28.518 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.264 -6.618 -27.990 1.00 0.00 H new ATOM 268 N ARG A 20 -1.534 -5.153 -21.772 1.00 0.00 N ATOM 269 CA ARG A 20 -0.712 -4.555 -20.726 1.00 0.00 C ATOM 270 C ARG A 20 -0.606 -5.484 -19.520 1.00 0.00 C ATOM 271 O ARG A 20 -1.468 -6.329 -19.279 1.00 0.00 O ATOM 272 CB ARG A 20 -1.297 -3.208 -20.296 1.00 0.00 C ATOM 273 CG ARG A 20 -0.762 -2.030 -21.094 1.00 0.00 C ATOM 274 CD ARG A 20 -0.902 -0.726 -20.323 1.00 0.00 C ATOM 275 NE ARG A 20 -2.226 -0.133 -20.488 1.00 0.00 N ATOM 276 CZ ARG A 20 -2.768 0.710 -19.616 1.00 0.00 C ATOM 277 NH1 ARG A 20 -2.102 1.057 -18.523 1.00 0.00 N ATOM 278 NH2 ARG A 20 -3.978 1.208 -19.836 1.00 0.00 N ATOM 0 H ARG A 20 -2.394 -4.644 -21.976 1.00 0.00 H new ATOM 0 HA ARG A 20 0.288 -4.397 -21.130 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.382 -3.243 -20.398 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.082 -3.048 -19.239 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.287 -2.200 -21.337 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.300 -1.955 -22.039 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.716 -0.909 -19.265 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.144 -0.021 -20.663 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.764 -0.380 -21.318 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.172 0.676 -18.350 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.520 1.704 -17.855 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.493 0.944 -20.676 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.393 1.855 -19.166 1.00 0.00 H new ATOM 292 N PRO A 21 0.476 -5.326 -18.745 1.00 0.00 N ATOM 293 CA PRO A 21 0.721 -6.141 -17.551 1.00 0.00 C ATOM 294 C PRO A 21 -0.254 -5.825 -16.423 1.00 0.00 C ATOM 295 O PRO A 21 -0.983 -4.832 -16.459 1.00 0.00 O ATOM 296 CB PRO A 21 2.148 -5.759 -17.147 1.00 0.00 C ATOM 297 CG PRO A 21 2.344 -4.390 -17.700 1.00 0.00 C ATOM 298 CD PRO A 21 1.545 -4.338 -18.972 1.00 0.00 C ATOM 0 HA PRO A 21 0.590 -7.205 -17.750 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.269 -5.770 -16.064 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.876 -6.459 -17.556 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.004 -3.632 -16.994 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.399 -4.195 -17.894 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.140 -3.342 -19.152 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.153 -4.596 -19.839 1.00 0.00 H new ATOM 306 N PRO A 22 -0.271 -6.686 -15.395 1.00 0.00 N ATOM 307 CA PRO A 22 -1.153 -6.518 -14.236 1.00 0.00 C ATOM 308 C PRO A 22 -0.746 -5.335 -13.364 1.00 0.00 C ATOM 309 O PRO A 22 0.059 -5.478 -12.444 1.00 0.00 O ATOM 310 CB PRO A 22 -0.982 -7.831 -13.468 1.00 0.00 C ATOM 311 CG PRO A 22 0.366 -8.328 -13.861 1.00 0.00 C ATOM 312 CD PRO A 22 0.570 -7.890 -15.285 1.00 0.00 C ATOM 0 HA PRO A 22 -2.181 -6.312 -14.533 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.047 -7.671 -12.392 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.760 -8.548 -13.731 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.138 -7.916 -13.212 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.422 -9.413 -13.775 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.617 -7.669 -15.491 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.262 -8.661 -15.991 1.00 0.00 H new ATOM 320 N ILE A 23 -1.307 -4.167 -13.661 1.00 0.00 N ATOM 321 CA ILE A 23 -1.003 -2.960 -12.903 1.00 0.00 C ATOM 322 C ILE A 23 -1.821 -2.898 -11.617 1.00 0.00 C ATOM 323 O ILE A 23 -1.933 -1.843 -10.991 1.00 0.00 O ATOM 324 CB ILE A 23 -1.275 -1.691 -13.733 1.00 0.00 C ATOM 325 CG1 ILE A 23 -2.754 -1.612 -14.115 1.00 0.00 C ATOM 326 CG2 ILE A 23 -0.399 -1.675 -14.977 1.00 0.00 C ATOM 327 CD1 ILE A 23 -3.608 -0.908 -13.083 1.00 0.00 C ATOM 0 H ILE A 23 -1.974 -4.032 -14.421 1.00 0.00 H new ATOM 0 HA ILE A 23 0.058 -3.002 -12.655 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.029 -0.819 -13.128 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.847 -1.092 -15.068 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.137 -2.622 -14.264 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.602 -0.773 -15.554 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.651 -1.689 -14.683 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.617 -2.552 -15.587 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.644 -0.889 -13.420 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.545 -1.440 -12.134 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.251 0.113 -12.951 1.00 0.00 H new ATOM 339 N ASP A 24 -2.388 -4.034 -11.228 1.00 0.00 N ATOM 340 CA ASP A 24 -3.193 -4.110 -10.015 1.00 0.00 C ATOM 341 C ASP A 24 -2.454 -3.491 -8.832 1.00 0.00 C ATOM 342 O ASP A 24 -3.008 -2.669 -8.102 1.00 0.00 O ATOM 343 CB ASP A 24 -3.551 -5.564 -9.705 1.00 0.00 C ATOM 344 CG ASP A 24 -4.392 -6.199 -10.794 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.825 -6.565 -11.845 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.619 -6.329 -10.598 1.00 0.00 O ATOM 0 H ASP A 24 -2.305 -4.915 -11.735 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.111 -3.546 -10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.635 -6.141 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.092 -5.608 -8.760 1.00 0.00 H new ATOM 351 N LEU A 25 -1.201 -3.893 -8.649 1.00 0.00 N ATOM 352 CA LEU A 25 -0.386 -3.379 -7.554 1.00 0.00 C ATOM 353 C LEU A 25 0.065 -1.949 -7.836 1.00 0.00 C ATOM 354 O LEU A 25 -0.267 -1.026 -7.092 1.00 0.00 O ATOM 355 CB LEU A 25 0.834 -4.276 -7.336 1.00 0.00 C ATOM 356 CG LEU A 25 0.660 -5.413 -6.328 1.00 0.00 C ATOM 357 CD1 LEU A 25 1.613 -6.555 -6.641 1.00 0.00 C ATOM 358 CD2 LEU A 25 0.879 -4.906 -4.910 1.00 0.00 C ATOM 0 H LEU A 25 -0.728 -4.573 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.995 -3.377 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.118 -4.708 -8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.665 -3.651 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.360 -5.788 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.474 -7.354 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.408 -6.936 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.641 -6.195 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.751 -5.728 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.888 -4.504 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.155 -4.122 -4.688 1.00 0.00 H new ATOM 370 N MET A 26 0.820 -1.773 -8.915 1.00 0.00 N ATOM 371 CA MET A 26 1.313 -0.455 -9.296 1.00 0.00 C ATOM 372 C MET A 26 0.169 0.552 -9.370 1.00 0.00 C ATOM 373 O MET A 26 -0.724 0.432 -10.209 1.00 0.00 O ATOM 374 CB MET A 26 2.033 -0.526 -10.644 1.00 0.00 C ATOM 375 CG MET A 26 3.389 -1.209 -10.573 1.00 0.00 C ATOM 376 SD MET A 26 4.163 -1.385 -12.192 1.00 0.00 S ATOM 377 CE MET A 26 3.127 -2.647 -12.928 1.00 0.00 C ATOM 0 H MET A 26 1.104 -2.527 -9.541 1.00 0.00 H new ATOM 0 HA MET A 26 2.018 -0.123 -8.533 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.403 -1.060 -11.355 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.164 0.485 -11.030 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.047 -0.635 -9.920 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.272 -2.194 -10.121 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.735 -3.515 -13.181 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.353 -2.941 -12.219 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.662 -2.254 -13.832 1.00 0.00 H new ATOM 387 N HIS A 27 0.203 1.545 -8.486 1.00 0.00 N ATOM 388 CA HIS A 27 -0.831 2.573 -8.452 1.00 0.00 C ATOM 389 C HIS A 27 -0.314 3.883 -9.039 1.00 0.00 C ATOM 390 O HIS A 27 0.810 4.300 -8.761 1.00 0.00 O ATOM 391 CB HIS A 27 -1.309 2.798 -7.017 1.00 0.00 C ATOM 392 CG HIS A 27 -2.660 3.439 -6.929 1.00 0.00 C ATOM 393 ND1 HIS A 27 -2.966 4.428 -6.018 1.00 0.00 N ATOM 394 CD2 HIS A 27 -3.788 3.228 -7.646 1.00 0.00 C ATOM 395 CE1 HIS A 27 -4.224 4.797 -6.178 1.00 0.00 C ATOM 396 NE2 HIS A 27 -4.746 4.084 -7.160 1.00 0.00 N ATOM 0 H HIS A 27 0.935 1.659 -7.785 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.670 2.230 -9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.336 1.840 -6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.585 3.423 -6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.912 2.518 -8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.739 5.553 -5.604 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.704 4.157 -7.502 1.00 0.00 H new ATOM 405 N LYS A 28 -1.143 4.528 -9.854 1.00 0.00 N ATOM 406 CA LYS A 28 -0.771 5.790 -10.481 1.00 0.00 C ATOM 407 C LYS A 28 -1.465 6.963 -9.796 1.00 0.00 C ATOM 408 O LYS A 28 -2.615 6.855 -9.373 1.00 0.00 O ATOM 409 CB LYS A 28 -1.129 5.770 -11.969 1.00 0.00 C ATOM 410 CG LYS A 28 -0.396 6.819 -12.786 1.00 0.00 C ATOM 411 CD LYS A 28 -1.157 8.134 -12.818 1.00 0.00 C ATOM 412 CE LYS A 28 -0.834 8.934 -14.070 1.00 0.00 C ATOM 413 NZ LYS A 28 -1.326 10.337 -13.974 1.00 0.00 N ATOM 0 H LYS A 28 -2.077 4.197 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 28 0.307 5.916 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.904 4.784 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.203 5.922 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.596 6.982 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.254 6.455 -13.804 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.228 7.937 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.907 8.722 -11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.244 8.937 -14.231 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.284 8.450 -14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.086 10.849 -14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.358 10.335 -13.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.877 10.807 -13.162 1.00 0.00 H new ATOM 427 N GLY A 29 -0.759 8.085 -9.693 1.00 0.00 N ATOM 428 CA GLY A 29 -1.325 9.262 -9.060 1.00 0.00 C ATOM 429 C GLY A 29 -0.385 9.884 -8.046 1.00 0.00 C ATOM 430 O GLY A 29 0.456 9.197 -7.466 1.00 0.00 O ATOM 0 H GLY A 29 0.195 8.200 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.570 10.000 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.259 8.992 -8.567 1.00 0.00 H new ATOM 434 N SER A 30 -0.525 11.188 -7.834 1.00 0.00 N ATOM 435 CA SER A 30 0.322 11.904 -6.887 1.00 0.00 C ATOM 436 C SER A 30 0.163 11.338 -5.479 1.00 0.00 C ATOM 437 O SER A 30 -0.914 10.876 -5.102 1.00 0.00 O ATOM 438 CB SER A 30 -0.020 13.396 -6.891 1.00 0.00 C ATOM 439 OG SER A 30 0.876 14.126 -6.070 1.00 0.00 O ATOM 0 H SER A 30 -1.217 11.771 -8.305 1.00 0.00 H new ATOM 0 HA SER A 30 1.359 11.775 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.021 13.779 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.041 13.539 -6.538 1.00 0.00 H new ATOM 0 HG SER A 30 0.638 15.076 -6.090 1.00 0.00 H new ATOM 445 N PHE A 31 1.244 11.378 -4.707 1.00 0.00 N ATOM 446 CA PHE A 31 1.226 10.868 -3.341 1.00 0.00 C ATOM 447 C PHE A 31 -0.058 11.275 -2.625 1.00 0.00 C ATOM 448 O PHE A 31 -0.758 10.436 -2.059 1.00 0.00 O ATOM 449 CB PHE A 31 2.441 11.384 -2.566 1.00 0.00 C ATOM 450 CG PHE A 31 2.530 12.882 -2.519 1.00 0.00 C ATOM 451 CD1 PHE A 31 3.029 13.594 -3.598 1.00 0.00 C ATOM 452 CD2 PHE A 31 2.114 13.579 -1.396 1.00 0.00 C ATOM 453 CE1 PHE A 31 3.113 14.973 -3.557 1.00 0.00 C ATOM 454 CE2 PHE A 31 2.195 14.958 -1.350 1.00 0.00 C ATOM 455 CZ PHE A 31 2.694 15.656 -2.432 1.00 0.00 C ATOM 0 H PHE A 31 2.143 11.758 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 31 1.267 9.780 -3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.403 10.998 -1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.348 10.988 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.356 13.065 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.722 13.039 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.506 15.516 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.868 15.489 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.756 16.734 -2.399 1.00 0.00 H new ATOM 465 N GLU A 32 -0.360 12.570 -2.655 1.00 0.00 N ATOM 466 CA GLU A 32 -1.560 13.088 -2.008 1.00 0.00 C ATOM 467 C GLU A 32 -2.761 12.191 -2.289 1.00 0.00 C ATOM 468 O GLU A 32 -3.623 11.999 -1.431 1.00 0.00 O ATOM 469 CB GLU A 32 -1.849 14.512 -2.486 1.00 0.00 C ATOM 470 CG GLU A 32 -2.032 14.624 -3.991 1.00 0.00 C ATOM 471 CD GLU A 32 -2.860 15.829 -4.390 1.00 0.00 C ATOM 472 OE1 GLU A 32 -2.459 16.962 -4.052 1.00 0.00 O ATOM 473 OE2 GLU A 32 -3.909 15.639 -5.041 1.00 0.00 O ATOM 0 H GLU A 32 0.209 13.278 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.384 13.102 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.749 14.877 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.030 15.163 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.054 14.686 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.512 13.719 -4.363 1.00 0.00 H new ATOM 480 N THR A 33 -2.813 11.644 -3.500 1.00 0.00 N ATOM 481 CA THR A 33 -3.909 10.769 -3.897 1.00 0.00 C ATOM 482 C THR A 33 -3.970 9.529 -3.013 1.00 0.00 C ATOM 483 O THR A 33 -5.013 9.213 -2.442 1.00 0.00 O ATOM 484 CB THR A 33 -3.773 10.331 -5.368 1.00 0.00 C ATOM 485 OG1 THR A 33 -3.757 11.480 -6.222 1.00 0.00 O ATOM 486 CG2 THR A 33 -4.919 9.413 -5.767 1.00 0.00 C ATOM 0 H THR A 33 -2.109 11.792 -4.223 1.00 0.00 H new ATOM 0 HA THR A 33 -4.829 11.341 -3.779 1.00 0.00 H new ATOM 0 HB THR A 33 -2.836 9.785 -5.476 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.669 11.193 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.802 9.117 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.911 8.525 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.866 9.938 -5.643 1.00 0.00 H new ATOM 494 N ALA A 34 -2.845 8.829 -2.904 1.00 0.00 N ATOM 495 CA ALA A 34 -2.771 7.625 -2.087 1.00 0.00 C ATOM 496 C ALA A 34 -3.581 7.781 -0.804 1.00 0.00 C ATOM 497 O ALA A 34 -4.424 6.943 -0.484 1.00 0.00 O ATOM 498 CB ALA A 34 -1.321 7.297 -1.761 1.00 0.00 C ATOM 0 H ALA A 34 -1.973 9.076 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.199 6.801 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.280 6.395 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.768 7.134 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.875 8.127 -1.213 1.00 0.00 H new ATOM 504 N LYS A 35 -3.319 8.859 -0.072 1.00 0.00 N ATOM 505 CA LYS A 35 -4.024 9.126 1.176 1.00 0.00 C ATOM 506 C LYS A 35 -5.527 9.233 0.940 1.00 0.00 C ATOM 507 O LYS A 35 -6.317 8.564 1.606 1.00 0.00 O ATOM 508 CB LYS A 35 -3.504 10.417 1.813 1.00 0.00 C ATOM 509 CG LYS A 35 -2.291 10.210 2.703 1.00 0.00 C ATOM 510 CD LYS A 35 -1.456 11.475 2.811 1.00 0.00 C ATOM 511 CE LYS A 35 -0.664 11.730 1.538 1.00 0.00 C ATOM 512 NZ LYS A 35 0.505 10.816 1.419 1.00 0.00 N ATOM 0 H LYS A 35 -2.623 9.562 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.839 8.293 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.249 11.124 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.303 10.870 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.616 9.902 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.679 9.402 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.107 12.326 3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.772 11.390 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.315 11.601 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.319 12.764 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.103 11.119 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.059 10.845 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.171 9.845 1.252 1.00 0.00 H new ATOM 526 N GLU A 36 -5.914 10.077 -0.011 1.00 0.00 N ATOM 527 CA GLU A 36 -7.323 10.269 -0.334 1.00 0.00 C ATOM 528 C GLU A 36 -8.004 8.933 -0.615 1.00 0.00 C ATOM 529 O GLU A 36 -9.107 8.672 -0.132 1.00 0.00 O ATOM 530 CB GLU A 36 -7.470 11.193 -1.544 1.00 0.00 C ATOM 531 CG GLU A 36 -7.195 12.655 -1.231 1.00 0.00 C ATOM 532 CD GLU A 36 -8.316 13.303 -0.443 1.00 0.00 C ATOM 533 OE1 GLU A 36 -9.494 13.048 -0.766 1.00 0.00 O ATOM 534 OE2 GLU A 36 -8.014 14.067 0.498 1.00 0.00 O ATOM 0 H GLU A 36 -5.272 10.638 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.807 10.730 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.787 10.863 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.481 11.099 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.266 12.733 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.048 13.201 -2.163 1.00 0.00 H new ATOM 541 N CYS A 37 -7.340 8.091 -1.400 1.00 0.00 N ATOM 542 CA CYS A 37 -7.882 6.781 -1.747 1.00 0.00 C ATOM 543 C CYS A 37 -8.095 5.933 -0.498 1.00 0.00 C ATOM 544 O CYS A 37 -9.145 5.313 -0.328 1.00 0.00 O ATOM 545 CB CYS A 37 -6.943 6.059 -2.715 1.00 0.00 C ATOM 546 SG CYS A 37 -6.912 6.765 -4.379 1.00 0.00 S ATOM 0 H CYS A 37 -6.427 8.291 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.847 6.930 -2.231 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.933 6.077 -2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.242 5.013 -2.781 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.866 5.807 -5.256 1.00 0.00 H new ATOM 552 N GLY A 38 -7.091 5.908 0.374 1.00 0.00 N ATOM 553 CA GLY A 38 -7.189 5.130 1.595 1.00 0.00 C ATOM 554 C GLY A 38 -8.540 5.274 2.268 1.00 0.00 C ATOM 555 O GLY A 38 -9.108 4.293 2.746 1.00 0.00 O ATOM 0 H GLY A 38 -6.212 6.412 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.010 4.079 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.407 5.444 2.286 1.00 0.00 H new ATOM 559 N GLN A 39 -9.053 6.499 2.305 1.00 0.00 N ATOM 560 CA GLN A 39 -10.345 6.766 2.927 1.00 0.00 C ATOM 561 C GLN A 39 -11.479 6.164 2.105 1.00 0.00 C ATOM 562 O GLN A 39 -12.157 5.238 2.550 1.00 0.00 O ATOM 563 CB GLN A 39 -10.557 8.273 3.084 1.00 0.00 C ATOM 564 CG GLN A 39 -10.004 8.833 4.384 1.00 0.00 C ATOM 565 CD GLN A 39 -9.816 10.337 4.339 1.00 0.00 C ATOM 566 OE1 GLN A 39 -8.811 10.786 3.597 1.00 0.00 O flip ATOM 567 NE2 GLN A 39 -10.567 11.087 4.964 1.00 0.00 N flip ATOM 0 H GLN A 39 -8.595 7.322 1.912 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.349 6.301 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.085 8.787 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.624 8.489 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.680 8.580 5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.048 8.358 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.327 10.698 5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.429 12.097 4.923 1.00 0.00 H new ATOM 576 N MET A 40 -11.681 6.696 0.904 1.00 0.00 N ATOM 577 CA MET A 40 -12.733 6.210 0.020 1.00 0.00 C ATOM 578 C MET A 40 -12.694 4.689 -0.087 1.00 0.00 C ATOM 579 O MET A 40 -13.671 4.011 0.231 1.00 0.00 O ATOM 580 CB MET A 40 -12.591 6.834 -1.370 1.00 0.00 C ATOM 581 CG MET A 40 -12.622 8.354 -1.359 1.00 0.00 C ATOM 582 SD MET A 40 -14.091 9.013 -0.548 1.00 0.00 S ATOM 583 CE MET A 40 -13.348 10.101 0.665 1.00 0.00 C ATOM 0 H MET A 40 -11.130 7.464 0.521 1.00 0.00 H new ATOM 0 HA MET A 40 -13.693 6.503 0.445 1.00 0.00 H new ATOM 0 HB2 MET A 40 -11.653 6.501 -1.815 1.00 0.00 H new ATOM 0 HB3 MET A 40 -13.395 6.467 -2.008 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.733 8.728 -0.851 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.582 8.722 -2.384 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.102 10.404 1.392 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.540 9.578 1.176 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.950 10.984 0.166 1.00 0.00 H new ATOM 593 N GLN A 41 -11.560 4.160 -0.536 1.00 0.00 N ATOM 594 CA GLN A 41 -11.396 2.719 -0.685 1.00 0.00 C ATOM 595 C GLN A 41 -11.379 2.030 0.675 1.00 0.00 C ATOM 596 O GLN A 41 -11.355 0.803 0.759 1.00 0.00 O ATOM 597 CB GLN A 41 -10.105 2.408 -1.444 1.00 0.00 C ATOM 598 CG GLN A 41 -10.162 2.775 -2.918 1.00 0.00 C ATOM 599 CD GLN A 41 -10.882 1.733 -3.752 1.00 0.00 C ATOM 600 OE1 GLN A 41 -10.382 0.625 -3.948 1.00 0.00 O ATOM 601 NE2 GLN A 41 -12.063 2.084 -4.249 1.00 0.00 N ATOM 0 H GLN A 41 -10.742 4.708 -0.803 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.244 2.338 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.280 2.945 -0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.886 1.344 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.665 3.735 -3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.148 2.900 -3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.440 3.013 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.593 1.424 -4.818 1.00 0.00 H new ATOM 610 N ASN A 42 -11.390 2.828 1.738 1.00 0.00 N ATOM 611 CA ASN A 42 -11.375 2.294 3.095 1.00 0.00 C ATOM 612 C ASN A 42 -10.237 1.294 3.273 1.00 0.00 C ATOM 613 O ASN A 42 -10.428 0.211 3.828 1.00 0.00 O ATOM 614 CB ASN A 42 -12.713 1.624 3.417 1.00 0.00 C ATOM 615 CG ASN A 42 -13.411 1.102 2.176 1.00 0.00 C ATOM 616 OD1 ASN A 42 -13.931 1.874 1.371 1.00 0.00 O ATOM 617 ND2 ASN A 42 -13.426 -0.216 2.017 1.00 0.00 N ATOM 0 H ASN A 42 -11.409 3.846 1.686 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.217 3.124 3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.546 0.800 4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.362 2.339 3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.882 -0.626 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.982 -0.818 2.710 1.00 0.00 H new ATOM 624 N LYS A 43 -9.052 1.664 2.800 1.00 0.00 N ATOM 625 CA LYS A 43 -7.881 0.802 2.908 1.00 0.00 C ATOM 626 C LYS A 43 -6.679 1.580 3.433 1.00 0.00 C ATOM 627 O LYS A 43 -6.419 2.704 3.003 1.00 0.00 O ATOM 628 CB LYS A 43 -7.548 0.186 1.547 1.00 0.00 C ATOM 629 CG LYS A 43 -8.552 -0.858 1.090 1.00 0.00 C ATOM 630 CD LYS A 43 -8.359 -1.215 -0.374 1.00 0.00 C ATOM 631 CE LYS A 43 -9.649 -1.727 -0.998 1.00 0.00 C ATOM 632 NZ LYS A 43 -9.458 -2.122 -2.421 1.00 0.00 N ATOM 0 H LYS A 43 -8.877 2.556 2.338 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.112 0.005 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.497 0.979 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.559 -0.270 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.449 -1.755 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.564 -0.483 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.012 -0.338 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.583 -1.975 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.013 -2.583 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.415 -0.954 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.059 -2.942 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.720 -1.328 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.461 -2.372 -2.581 1.00 0.00 H new ATOM 646 N TRP A 44 -5.948 0.975 4.362 1.00 0.00 N ATOM 647 CA TRP A 44 -4.772 1.612 4.944 1.00 0.00 C ATOM 648 C TRP A 44 -3.787 2.031 3.859 1.00 0.00 C ATOM 649 O TRP A 44 -3.962 1.699 2.686 1.00 0.00 O ATOM 650 CB TRP A 44 -4.090 0.664 5.932 1.00 0.00 C ATOM 651 CG TRP A 44 -4.954 0.302 7.101 1.00 0.00 C ATOM 652 CD1 TRP A 44 -5.506 -0.919 7.366 1.00 0.00 C ATOM 653 CD2 TRP A 44 -5.366 1.169 8.163 1.00 0.00 C ATOM 654 NE1 TRP A 44 -6.236 -0.863 8.528 1.00 0.00 N ATOM 655 CE2 TRP A 44 -6.166 0.407 9.037 1.00 0.00 C ATOM 656 CE3 TRP A 44 -5.136 2.515 8.462 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -6.736 0.947 10.187 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -5.703 3.050 9.603 1.00 0.00 C ATOM 659 CH2 TRP A 44 -6.494 2.267 10.455 1.00 0.00 C ATOM 0 H TRP A 44 -6.149 0.044 4.728 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.099 2.506 5.476 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.799 -0.247 5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.174 1.129 6.297 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.386 -1.799 6.752 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.747 -1.641 8.945 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.526 3.126 7.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.347 0.346 10.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.534 4.089 9.842 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.921 2.714 11.340 1.00 0.00 H new ATOM 670 N LEU A 45 -2.751 2.761 4.257 1.00 0.00 N ATOM 671 CA LEU A 45 -1.737 3.226 3.317 1.00 0.00 C ATOM 672 C LEU A 45 -0.361 2.679 3.686 1.00 0.00 C ATOM 673 O LEU A 45 0.051 2.740 4.844 1.00 0.00 O ATOM 674 CB LEU A 45 -1.700 4.755 3.290 1.00 0.00 C ATOM 675 CG LEU A 45 -0.578 5.385 2.464 1.00 0.00 C ATOM 676 CD1 LEU A 45 -0.730 5.025 0.994 1.00 0.00 C ATOM 677 CD2 LEU A 45 -0.565 6.896 2.647 1.00 0.00 C ATOM 0 H LEU A 45 -2.591 3.044 5.224 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.000 2.858 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.654 5.115 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.615 5.115 4.315 1.00 0.00 H new ATOM 0 HG LEU A 45 0.374 4.988 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.077 5.482 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.688 3.942 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.688 5.392 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.240 7.328 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.519 7.310 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.406 7.134 3.699 1.00 0.00 H new ATOM 689 N MET A 46 0.345 2.148 2.693 1.00 0.00 N ATOM 690 CA MET A 46 1.676 1.594 2.914 1.00 0.00 C ATOM 691 C MET A 46 2.667 2.138 1.890 1.00 0.00 C ATOM 692 O MET A 46 2.452 2.026 0.683 1.00 0.00 O ATOM 693 CB MET A 46 1.634 0.066 2.839 1.00 0.00 C ATOM 694 CG MET A 46 2.734 -0.611 3.640 1.00 0.00 C ATOM 695 SD MET A 46 2.770 -2.398 3.398 1.00 0.00 S ATOM 696 CE MET A 46 1.904 -2.955 4.864 1.00 0.00 C ATOM 0 H MET A 46 0.018 2.090 1.729 1.00 0.00 H new ATOM 0 HA MET A 46 2.007 1.893 3.909 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.666 -0.281 3.201 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.713 -0.241 1.796 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.698 -0.190 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.593 -0.394 4.699 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.312 -3.838 4.623 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.627 -3.204 5.641 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.246 -2.163 5.221 1.00 0.00 H new ATOM 706 N ILE A 47 3.752 2.728 2.380 1.00 0.00 N ATOM 707 CA ILE A 47 4.777 3.288 1.507 1.00 0.00 C ATOM 708 C ILE A 47 6.108 2.567 1.688 1.00 0.00 C ATOM 709 O ILE A 47 6.420 2.082 2.775 1.00 0.00 O ATOM 710 CB ILE A 47 4.980 4.792 1.772 1.00 0.00 C ATOM 711 CG1 ILE A 47 3.687 5.561 1.493 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.118 5.331 0.917 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.621 6.903 2.187 1.00 0.00 C ATOM 0 H ILE A 47 3.944 2.831 3.376 1.00 0.00 H new ATOM 0 HA ILE A 47 4.429 3.151 0.483 1.00 0.00 H new ATOM 0 HB ILE A 47 5.242 4.929 2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.588 5.712 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.838 4.955 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.250 6.395 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.038 4.800 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.882 5.185 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.678 7.392 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.688 6.759 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.450 7.527 1.852 1.00 0.00 H new ATOM 725 N ASN A 48 6.890 2.502 0.615 1.00 0.00 N ATOM 726 CA ASN A 48 8.189 1.841 0.656 1.00 0.00 C ATOM 727 C ASN A 48 9.182 2.536 -0.270 1.00 0.00 C ATOM 728 O ASN A 48 8.906 2.740 -1.453 1.00 0.00 O ATOM 729 CB ASN A 48 8.048 0.370 0.258 1.00 0.00 C ATOM 730 CG ASN A 48 9.387 -0.338 0.179 1.00 0.00 C ATOM 731 OD1 ASN A 48 9.714 -0.959 -0.833 1.00 0.00 O ATOM 732 ND2 ASN A 48 10.169 -0.247 1.248 1.00 0.00 N ATOM 0 H ASN A 48 6.647 2.899 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 48 8.567 1.901 1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.412 -0.140 0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.548 0.304 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.082 -0.702 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.857 0.278 2.065 1.00 0.00 H new ATOM 739 N ILE A 49 10.339 2.897 0.276 1.00 0.00 N ATOM 740 CA ILE A 49 11.373 3.568 -0.501 1.00 0.00 C ATOM 741 C ILE A 49 12.429 2.578 -0.981 1.00 0.00 C ATOM 742 O ILE A 49 13.236 2.086 -0.192 1.00 0.00 O ATOM 743 CB ILE A 49 12.060 4.678 0.316 1.00 0.00 C ATOM 744 CG1 ILE A 49 11.029 5.703 0.793 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.141 5.355 -0.514 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.463 6.555 -0.321 1.00 0.00 C ATOM 0 H ILE A 49 10.583 2.736 1.253 1.00 0.00 H new ATOM 0 HA ILE A 49 10.879 4.016 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 49 12.529 4.227 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.212 5.180 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.491 6.352 1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.617 6.137 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.888 4.618 -0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.693 5.795 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.739 7.258 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.270 7.106 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.971 5.916 -1.054 1.00 0.00 H new ATOM 758 N GLN A 50 12.419 2.293 -2.279 1.00 0.00 N ATOM 759 CA GLN A 50 13.377 1.362 -2.864 1.00 0.00 C ATOM 760 C GLN A 50 14.759 2.000 -2.972 1.00 0.00 C ATOM 761 O GLN A 50 14.897 3.126 -3.447 1.00 0.00 O ATOM 762 CB GLN A 50 12.902 0.909 -4.245 1.00 0.00 C ATOM 763 CG GLN A 50 12.661 2.057 -5.212 1.00 0.00 C ATOM 764 CD GLN A 50 11.577 1.748 -6.226 1.00 0.00 C ATOM 765 OE1 GLN A 50 10.609 2.496 -6.366 1.00 0.00 O ATOM 766 NE2 GLN A 50 11.733 0.640 -6.941 1.00 0.00 N ATOM 0 H GLN A 50 11.759 2.693 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 50 13.448 0.493 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.644 0.235 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.980 0.339 -4.134 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.384 2.949 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.589 2.286 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.551 0.048 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.035 0.381 -7.638 1.00 0.00 H new ATOM 775 N ASN A 51 15.778 1.271 -2.528 1.00 0.00 N ATOM 776 CA ASN A 51 17.149 1.766 -2.574 1.00 0.00 C ATOM 777 C ASN A 51 17.879 1.230 -3.801 1.00 0.00 C ATOM 778 O ASN A 51 18.071 0.022 -3.945 1.00 0.00 O ATOM 779 CB ASN A 51 17.901 1.366 -1.303 1.00 0.00 C ATOM 780 CG ASN A 51 17.242 1.905 -0.048 1.00 0.00 C ATOM 781 OD1 ASN A 51 16.183 1.239 0.396 1.00 0.00 O flip ATOM 782 ND2 ASN A 51 17.681 2.907 0.515 1.00 0.00 N flip ATOM 0 H ASN A 51 15.680 0.336 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 51 17.115 2.853 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 51 17.956 0.279 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 51 18.925 1.734 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 51 18.498 3.387 0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.228 3.258 1.359 1.00 0.00 H new ATOM 789 N VAL A 52 18.286 2.136 -4.685 1.00 0.00 N ATOM 790 CA VAL A 52 18.998 1.755 -5.899 1.00 0.00 C ATOM 791 C VAL A 52 20.471 1.487 -5.611 1.00 0.00 C ATOM 792 O VAL A 52 21.084 0.615 -6.227 1.00 0.00 O ATOM 793 CB VAL A 52 18.888 2.847 -6.980 1.00 0.00 C ATOM 794 CG1 VAL A 52 17.429 3.178 -7.258 1.00 0.00 C ATOM 795 CG2 VAL A 52 19.654 4.092 -6.559 1.00 0.00 C ATOM 0 H VAL A 52 18.135 3.139 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 52 18.531 0.842 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 52 19.332 2.469 -7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.371 3.951 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 52 16.913 2.283 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.957 3.537 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 52 19.566 4.853 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.241 4.475 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 52 20.705 3.841 -6.415 1.00 0.00 H new ATOM 805 N GLN A 53 21.032 2.242 -4.672 1.00 0.00 N ATOM 806 CA GLN A 53 22.434 2.085 -4.303 1.00 0.00 C ATOM 807 C GLN A 53 22.622 0.888 -3.377 1.00 0.00 C ATOM 808 O GLN A 53 23.393 -0.025 -3.675 1.00 0.00 O ATOM 809 CB GLN A 53 22.950 3.355 -3.626 1.00 0.00 C ATOM 810 CG GLN A 53 22.854 4.594 -4.502 1.00 0.00 C ATOM 811 CD GLN A 53 21.554 5.349 -4.304 1.00 0.00 C ATOM 812 OE1 GLN A 53 20.642 4.871 -3.628 1.00 0.00 O ATOM 813 NE2 GLN A 53 21.463 6.535 -4.893 1.00 0.00 N ATOM 0 H GLN A 53 20.538 2.968 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 53 23.006 1.910 -5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 53 22.384 3.524 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 53 23.990 3.205 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 53 23.691 5.256 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 53 22.945 4.303 -5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 53 22.244 6.892 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 53 20.612 7.089 -4.795 1.00 0.00 H new ATOM 822 N ASP A 54 21.913 0.898 -2.254 1.00 0.00 N ATOM 823 CA ASP A 54 22.002 -0.187 -1.283 1.00 0.00 C ATOM 824 C ASP A 54 21.563 -1.509 -1.905 1.00 0.00 C ATOM 825 O ASP A 54 20.793 -1.530 -2.866 1.00 0.00 O ATOM 826 CB ASP A 54 21.142 0.125 -0.058 1.00 0.00 C ATOM 827 CG ASP A 54 21.770 1.175 0.838 1.00 0.00 C ATOM 828 OD1 ASP A 54 22.756 0.850 1.532 1.00 0.00 O ATOM 829 OD2 ASP A 54 21.274 2.321 0.846 1.00 0.00 O ATOM 0 H ASP A 54 21.270 1.645 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 54 23.043 -0.280 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.161 0.470 -0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 54 20.984 -0.789 0.514 1.00 0.00 H new ATOM 834 N PHE A 55 22.058 -2.611 -1.352 1.00 0.00 N ATOM 835 CA PHE A 55 21.719 -3.937 -1.853 1.00 0.00 C ATOM 836 C PHE A 55 20.580 -4.550 -1.043 1.00 0.00 C ATOM 837 O PHE A 55 19.704 -5.218 -1.591 1.00 0.00 O ATOM 838 CB PHE A 55 22.944 -4.853 -1.805 1.00 0.00 C ATOM 839 CG PHE A 55 23.856 -4.573 -0.646 1.00 0.00 C ATOM 840 CD1 PHE A 55 24.706 -3.478 -0.664 1.00 0.00 C ATOM 841 CD2 PHE A 55 23.865 -5.405 0.462 1.00 0.00 C ATOM 842 CE1 PHE A 55 25.546 -3.218 0.402 1.00 0.00 C ATOM 843 CE2 PHE A 55 24.703 -5.149 1.531 1.00 0.00 C ATOM 844 CZ PHE A 55 25.546 -4.055 1.501 1.00 0.00 C ATOM 0 H PHE A 55 22.696 -2.612 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 55 21.392 -3.834 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 55 22.611 -5.890 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 55 23.505 -4.745 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 24.712 -2.821 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.210 -6.263 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 55 26.202 -2.361 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.699 -5.804 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 55 26.203 -3.855 2.334 1.00 0.00 H new ATOM 854 N ALA A 56 20.601 -4.318 0.265 1.00 0.00 N ATOM 855 CA ALA A 56 19.570 -4.845 1.151 1.00 0.00 C ATOM 856 C ALA A 56 18.219 -4.907 0.446 1.00 0.00 C ATOM 857 O ALA A 56 17.596 -5.967 0.370 1.00 0.00 O ATOM 858 CB ALA A 56 19.472 -3.996 2.410 1.00 0.00 C ATOM 0 H ALA A 56 21.321 -3.769 0.735 1.00 0.00 H new ATOM 0 HA ALA A 56 19.851 -5.860 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.698 -4.401 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.429 -4.007 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.218 -2.971 2.139 1.00 0.00 H new ATOM 864 N CYS A 57 17.773 -3.766 -0.068 1.00 0.00 N ATOM 865 CA CYS A 57 16.494 -3.691 -0.766 1.00 0.00 C ATOM 866 C CYS A 57 16.315 -4.881 -1.703 1.00 0.00 C ATOM 867 O CYS A 57 15.312 -5.590 -1.636 1.00 0.00 O ATOM 868 CB CYS A 57 16.396 -2.385 -1.555 1.00 0.00 C ATOM 869 SG CYS A 57 14.839 -2.178 -2.451 1.00 0.00 S ATOM 0 H CYS A 57 18.277 -2.881 -0.015 1.00 0.00 H new ATOM 0 HA CYS A 57 15.699 -3.717 -0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.521 -1.548 -0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.221 -2.340 -2.266 1.00 0.00 H new ATOM 0 HG CYS A 57 14.260 -3.334 -2.587 1.00 0.00 H new ATOM 875 N GLN A 58 17.294 -5.091 -2.577 1.00 0.00 N ATOM 876 CA GLN A 58 17.243 -6.193 -3.530 1.00 0.00 C ATOM 877 C GLN A 58 16.969 -7.514 -2.820 1.00 0.00 C ATOM 878 O GLN A 58 15.904 -8.110 -2.985 1.00 0.00 O ATOM 879 CB GLN A 58 18.556 -6.282 -4.310 1.00 0.00 C ATOM 880 CG GLN A 58 18.542 -5.506 -5.617 1.00 0.00 C ATOM 881 CD GLN A 58 17.542 -6.060 -6.613 1.00 0.00 C ATOM 882 OE1 GLN A 58 17.490 -7.382 -6.727 1.00 0.00 O flip ATOM 883 NE2 GLN A 58 16.825 -5.308 -7.273 1.00 0.00 N flip ATOM 0 H GLN A 58 18.132 -4.513 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 58 16.427 -6.000 -4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 58 19.367 -5.908 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.773 -7.329 -4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 58 18.305 -4.462 -5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 58 19.538 -5.527 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.899 -4.298 -7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.157 -5.695 -7.940 1.00 0.00 H new ATOM 892 N CYS A 59 17.937 -7.968 -2.030 1.00 0.00 N ATOM 893 CA CYS A 59 17.800 -9.220 -1.295 1.00 0.00 C ATOM 894 C CYS A 59 16.389 -9.371 -0.736 1.00 0.00 C ATOM 895 O CYS A 59 15.798 -10.450 -0.797 1.00 0.00 O ATOM 896 CB CYS A 59 18.822 -9.283 -0.159 1.00 0.00 C ATOM 897 SG CYS A 59 20.422 -9.971 -0.642 1.00 0.00 S ATOM 0 H CYS A 59 18.825 -7.487 -1.883 1.00 0.00 H new ATOM 0 HA CYS A 59 17.986 -10.041 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 59 18.975 -8.278 0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.411 -9.883 0.652 1.00 0.00 H new ATOM 0 HG CYS A 59 21.218 -9.980 0.386 1.00 0.00 H new ATOM 903 N LEU A 60 15.856 -8.284 -0.189 1.00 0.00 N ATOM 904 CA LEU A 60 14.514 -8.295 0.384 1.00 0.00 C ATOM 905 C LEU A 60 13.474 -8.647 -0.674 1.00 0.00 C ATOM 906 O LEU A 60 12.766 -9.646 -0.554 1.00 0.00 O ATOM 907 CB LEU A 60 14.190 -6.934 1.001 1.00 0.00 C ATOM 908 CG LEU A 60 14.696 -6.705 2.426 1.00 0.00 C ATOM 909 CD1 LEU A 60 15.006 -5.233 2.652 1.00 0.00 C ATOM 910 CD2 LEU A 60 13.675 -7.199 3.440 1.00 0.00 C ATOM 0 H LEU A 60 16.332 -7.384 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 60 14.485 -9.056 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.608 -6.158 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.108 -6.804 0.996 1.00 0.00 H new ATOM 0 HG LEU A 60 15.616 -7.274 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.365 -5.089 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.773 -4.911 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.102 -4.643 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 14.052 -7.028 4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.738 -6.658 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.503 -8.265 3.293 1.00 0.00 H new ATOM 922 N ASN A 61 13.389 -7.821 -1.711 1.00 0.00 N ATOM 923 CA ASN A 61 12.436 -8.046 -2.792 1.00 0.00 C ATOM 924 C ASN A 61 12.545 -9.471 -3.326 1.00 0.00 C ATOM 925 O ASN A 61 11.600 -9.999 -3.912 1.00 0.00 O ATOM 926 CB ASN A 61 12.672 -7.045 -3.925 1.00 0.00 C ATOM 927 CG ASN A 61 11.446 -6.862 -4.799 1.00 0.00 C ATOM 928 OD1 ASN A 61 10.708 -5.887 -4.655 1.00 0.00 O ATOM 929 ND2 ASN A 61 11.224 -7.800 -5.712 1.00 0.00 N ATOM 0 H ASN A 61 13.968 -6.989 -1.826 1.00 0.00 H new ATOM 0 HA ASN A 61 11.432 -7.903 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.960 -6.083 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.505 -7.386 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.415 -7.729 -6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.862 -8.591 -5.796 1.00 0.00 H new ATOM 936 N ARG A 62 13.704 -10.088 -3.117 1.00 0.00 N ATOM 937 CA ARG A 62 13.937 -11.451 -3.578 1.00 0.00 C ATOM 938 C ARG A 62 12.730 -12.338 -3.286 1.00 0.00 C ATOM 939 O ARG A 62 12.106 -12.874 -4.201 1.00 0.00 O ATOM 940 CB ARG A 62 15.184 -12.032 -2.908 1.00 0.00 C ATOM 941 CG ARG A 62 15.669 -13.325 -3.542 1.00 0.00 C ATOM 942 CD ARG A 62 16.224 -13.088 -4.938 1.00 0.00 C ATOM 943 NE ARG A 62 16.622 -14.334 -5.587 1.00 0.00 N ATOM 944 CZ ARG A 62 16.691 -14.486 -6.905 1.00 0.00 C ATOM 945 NH1 ARG A 62 16.391 -13.476 -7.709 1.00 0.00 N ATOM 946 NH2 ARG A 62 17.062 -15.651 -7.421 1.00 0.00 N ATOM 0 H ARG A 62 14.495 -9.665 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 62 14.092 -11.422 -4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.985 -11.294 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.970 -12.212 -1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.440 -13.772 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.846 -14.038 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.472 -12.586 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.083 -12.420 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 62 16.860 -15.131 -4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.106 -12.579 -7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.445 -13.596 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.294 -16.431 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.115 -15.767 -8.433 1.00 0.00 H new ATOM 960 N ASP A 63 12.408 -12.487 -2.006 1.00 0.00 N ATOM 961 CA ASP A 63 11.276 -13.308 -1.593 1.00 0.00 C ATOM 962 C ASP A 63 10.229 -12.466 -0.871 1.00 0.00 C ATOM 963 O ASP A 63 9.029 -12.712 -0.991 1.00 0.00 O ATOM 964 CB ASP A 63 11.747 -14.445 -0.685 1.00 0.00 C ATOM 965 CG ASP A 63 12.641 -15.432 -1.410 1.00 0.00 C ATOM 966 OD1 ASP A 63 12.129 -16.172 -2.276 1.00 0.00 O ATOM 967 OD2 ASP A 63 13.853 -15.463 -1.113 1.00 0.00 O ATOM 0 H ASP A 63 12.915 -12.050 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 63 10.822 -13.732 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.286 -14.027 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.879 -14.970 -0.286 1.00 0.00 H new ATOM 972 N VAL A 64 10.691 -11.471 -0.121 1.00 0.00 N ATOM 973 CA VAL A 64 9.795 -10.592 0.621 1.00 0.00 C ATOM 974 C VAL A 64 8.729 -9.997 -0.293 1.00 0.00 C ATOM 975 O VAL A 64 7.547 -10.319 -0.175 1.00 0.00 O ATOM 976 CB VAL A 64 10.568 -9.447 1.303 1.00 0.00 C ATOM 977 CG1 VAL A 64 9.620 -8.560 2.095 1.00 0.00 C ATOM 978 CG2 VAL A 64 11.664 -10.005 2.198 1.00 0.00 C ATOM 0 H VAL A 64 11.681 -11.253 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 64 9.315 -11.202 1.386 1.00 0.00 H new ATOM 0 HB VAL A 64 11.037 -8.837 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.184 -7.757 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.875 -8.133 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.120 -9.154 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.200 -9.183 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.220 -10.639 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.359 -10.594 1.599 1.00 0.00 H new ATOM 988 N TRP A 65 9.155 -9.128 -1.202 1.00 0.00 N ATOM 989 CA TRP A 65 8.237 -8.488 -2.137 1.00 0.00 C ATOM 990 C TRP A 65 7.943 -9.400 -3.322 1.00 0.00 C ATOM 991 O TRP A 65 7.456 -8.949 -4.359 1.00 0.00 O ATOM 992 CB TRP A 65 8.820 -7.162 -2.630 1.00 0.00 C ATOM 993 CG TRP A 65 9.393 -6.319 -1.531 1.00 0.00 C ATOM 994 CD1 TRP A 65 10.642 -5.771 -1.484 1.00 0.00 C ATOM 995 CD2 TRP A 65 8.737 -5.932 -0.318 1.00 0.00 C ATOM 996 NE1 TRP A 65 10.803 -5.065 -0.316 1.00 0.00 N ATOM 997 CE2 TRP A 65 9.648 -5.147 0.416 1.00 0.00 C ATOM 998 CE3 TRP A 65 7.468 -6.168 0.218 1.00 0.00 C ATOM 999 CZ2 TRP A 65 9.329 -4.602 1.656 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 7.153 -5.626 1.449 1.00 0.00 C ATOM 1001 CH2 TRP A 65 8.080 -4.850 2.157 1.00 0.00 C ATOM 0 H TRP A 65 10.130 -8.850 -1.312 1.00 0.00 H new ATOM 0 HA TRP A 65 7.302 -8.293 -1.612 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.599 -7.367 -3.365 1.00 0.00 H new ATOM 0 HB3 TRP A 65 8.040 -6.598 -3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.394 -5.877 -2.252 1.00 0.00 H new ATOM 0 HE1 TRP A 65 11.646 -4.562 -0.039 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.746 -6.764 -0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 10.042 -4.004 2.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.176 -5.803 1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.803 -4.440 3.117 1.00 0.00 H new ATOM 1012 N SER A 66 8.241 -10.686 -3.162 1.00 0.00 N ATOM 1013 CA SER A 66 8.011 -11.661 -4.221 1.00 0.00 C ATOM 1014 C SER A 66 6.810 -12.544 -3.896 1.00 0.00 C ATOM 1015 O SER A 66 6.137 -13.051 -4.792 1.00 0.00 O ATOM 1016 CB SER A 66 9.255 -12.528 -4.424 1.00 0.00 C ATOM 1017 OG SER A 66 9.246 -13.143 -5.701 1.00 0.00 O ATOM 0 H SER A 66 8.642 -11.076 -2.309 1.00 0.00 H new ATOM 0 HA SER A 66 7.801 -11.117 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.150 -11.915 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.299 -13.293 -3.649 1.00 0.00 H new ATOM 0 HG SER A 66 10.052 -13.690 -5.806 1.00 0.00 H new ATOM 1023 N ASN A 67 6.549 -12.724 -2.605 1.00 0.00 N ATOM 1024 CA ASN A 67 5.430 -13.546 -2.159 1.00 0.00 C ATOM 1025 C ASN A 67 4.099 -12.912 -2.550 1.00 0.00 C ATOM 1026 O ASN A 67 3.851 -11.741 -2.264 1.00 0.00 O ATOM 1027 CB ASN A 67 5.488 -13.744 -0.643 1.00 0.00 C ATOM 1028 CG ASN A 67 6.229 -15.008 -0.253 1.00 0.00 C ATOM 1029 OD1 ASN A 67 5.617 -16.043 0.013 1.00 0.00 O ATOM 1030 ND2 ASN A 67 7.554 -14.930 -0.217 1.00 0.00 N ATOM 0 H ASN A 67 7.097 -12.312 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 67 5.507 -14.517 -2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.977 -12.884 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.474 -13.783 -0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.106 -15.749 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.020 -14.052 -0.445 1.00 0.00 H new ATOM 1037 N GLU A 68 3.246 -13.693 -3.205 1.00 0.00 N ATOM 1038 CA GLU A 68 1.940 -13.207 -3.635 1.00 0.00 C ATOM 1039 C GLU A 68 1.052 -12.899 -2.433 1.00 0.00 C ATOM 1040 O GLU A 68 0.218 -11.995 -2.479 1.00 0.00 O ATOM 1041 CB GLU A 68 1.258 -14.239 -4.536 1.00 0.00 C ATOM 1042 CG GLU A 68 0.687 -15.426 -3.778 1.00 0.00 C ATOM 1043 CD GLU A 68 1.720 -16.507 -3.526 1.00 0.00 C ATOM 1044 OE1 GLU A 68 2.593 -16.709 -4.394 1.00 0.00 O ATOM 1045 OE2 GLU A 68 1.653 -17.152 -2.458 1.00 0.00 O ATOM 0 H GLU A 68 3.436 -14.665 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 68 2.091 -12.287 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.455 -13.752 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.978 -14.600 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.284 -15.084 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.145 -15.847 -4.343 1.00 0.00 H new ATOM 1052 N ALA A 69 1.236 -13.659 -1.358 1.00 0.00 N ATOM 1053 CA ALA A 69 0.453 -13.467 -0.143 1.00 0.00 C ATOM 1054 C ALA A 69 0.702 -12.087 0.458 1.00 0.00 C ATOM 1055 O ALA A 69 -0.221 -11.439 0.951 1.00 0.00 O ATOM 1056 CB ALA A 69 0.778 -14.553 0.871 1.00 0.00 C ATOM 0 H ALA A 69 1.920 -14.413 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.603 -13.535 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.186 -14.397 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.543 -15.529 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.838 -14.512 1.121 1.00 0.00 H new ATOM 1062 N VAL A 70 1.954 -11.645 0.414 1.00 0.00 N ATOM 1063 CA VAL A 70 2.324 -10.342 0.954 1.00 0.00 C ATOM 1064 C VAL A 70 1.792 -9.213 0.078 1.00 0.00 C ATOM 1065 O VAL A 70 1.392 -8.161 0.577 1.00 0.00 O ATOM 1066 CB VAL A 70 3.852 -10.201 1.082 1.00 0.00 C ATOM 1067 CG1 VAL A 70 4.219 -8.824 1.616 1.00 0.00 C ATOM 1068 CG2 VAL A 70 4.415 -11.295 1.977 1.00 0.00 C ATOM 0 H VAL A 70 2.730 -12.170 0.010 1.00 0.00 H new ATOM 0 HA VAL A 70 1.876 -10.271 1.945 1.00 0.00 H new ATOM 0 HB VAL A 70 4.293 -10.310 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.303 -8.743 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.850 -8.059 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.768 -8.682 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.496 -11.180 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.968 -11.220 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.184 -12.270 1.548 1.00 0.00 H new ATOM 1078 N LYS A 71 1.791 -9.438 -1.231 1.00 0.00 N ATOM 1079 CA LYS A 71 1.307 -8.441 -2.179 1.00 0.00 C ATOM 1080 C LYS A 71 -0.203 -8.264 -2.058 1.00 0.00 C ATOM 1081 O LYS A 71 -0.689 -7.164 -1.798 1.00 0.00 O ATOM 1082 CB LYS A 71 1.671 -8.848 -3.609 1.00 0.00 C ATOM 1083 CG LYS A 71 3.126 -8.594 -3.962 1.00 0.00 C ATOM 1084 CD LYS A 71 3.623 -9.571 -5.015 1.00 0.00 C ATOM 1085 CE LYS A 71 4.789 -8.995 -5.803 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.331 -8.265 -7.017 1.00 0.00 N ATOM 0 H LYS A 71 2.120 -10.303 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 71 1.786 -7.490 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.453 -9.908 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.036 -8.301 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.240 -7.574 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.739 -8.681 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.931 -10.500 -4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.809 -9.819 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.359 -8.319 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.462 -9.800 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.901 -8.560 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.330 -8.483 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.441 -7.242 -6.869 1.00 0.00 H new ATOM 1100 N ASN A 72 -0.939 -9.354 -2.246 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.395 -9.318 -2.157 1.00 0.00 C ATOM 1102 C ASN A 72 -2.845 -8.582 -0.899 1.00 0.00 C ATOM 1103 O ASN A 72 -3.926 -7.994 -0.864 1.00 0.00 O ATOM 1104 CB ASN A 72 -2.962 -10.739 -2.161 1.00 0.00 C ATOM 1105 CG ASN A 72 -2.444 -11.565 -3.323 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -2.046 -11.024 -4.355 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -2.447 -12.883 -3.160 1.00 0.00 N ATOM 0 H ASN A 72 -0.552 -10.273 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.774 -8.780 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.704 -11.233 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.050 -10.693 -2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.110 -13.490 -3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.786 -13.288 -2.287 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.008 -8.620 0.133 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.319 -7.955 1.392 1.00 0.00 C ATOM 1116 C ILE A 73 -1.994 -6.467 1.324 1.00 0.00 C ATOM 1117 O ILE A 73 -2.840 -5.623 1.622 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.545 -8.584 2.566 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -1.967 -10.042 2.761 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.776 -7.786 3.841 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -1.007 -10.840 3.615 1.00 0.00 C ATOM 0 H ILE A 73 -1.110 -9.104 0.122 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.388 -8.083 1.560 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.480 -8.561 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.956 -10.067 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.056 -10.520 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.223 -8.243 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.432 -6.762 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.840 -7.781 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.369 -11.864 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.022 -10.846 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.936 -10.387 4.604 1.00 0.00 H new ATOM 1133 N ILE A 74 -0.766 -6.153 0.927 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.331 -4.766 0.816 1.00 0.00 C ATOM 1135 C ILE A 74 -1.203 -3.993 -0.168 1.00 0.00 C ATOM 1136 O ILE A 74 -1.279 -2.766 -0.114 1.00 0.00 O ATOM 1137 CB ILE A 74 1.139 -4.671 0.366 1.00 0.00 C ATOM 1138 CG1 ILE A 74 2.059 -5.288 1.421 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.520 -3.222 0.105 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.484 -5.471 0.947 1.00 0.00 C ATOM 0 H ILE A 74 -0.055 -6.840 0.677 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.428 -4.325 1.808 1.00 0.00 H new ATOM 0 HB ILE A 74 1.256 -5.230 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.058 -4.654 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.657 -6.256 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.562 -3.171 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.882 -2.813 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.390 -2.641 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.079 -5.913 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.497 -6.129 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.904 -4.503 0.675 1.00 0.00 H new ATOM 1152 N ARG A 75 -1.861 -4.720 -1.065 1.00 0.00 N ATOM 1153 CA ARG A 75 -2.729 -4.104 -2.060 1.00 0.00 C ATOM 1154 C ARG A 75 -4.156 -3.977 -1.534 1.00 0.00 C ATOM 1155 O ARG A 75 -4.806 -2.949 -1.719 1.00 0.00 O ATOM 1156 CB ARG A 75 -2.721 -4.923 -3.352 1.00 0.00 C ATOM 1157 CG ARG A 75 -3.505 -6.221 -3.255 1.00 0.00 C ATOM 1158 CD ARG A 75 -3.587 -6.925 -4.601 1.00 0.00 C ATOM 1159 NE ARG A 75 -2.361 -7.654 -4.913 1.00 0.00 N ATOM 1160 CZ ARG A 75 -2.147 -8.271 -6.070 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -3.072 -8.246 -7.019 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -1.006 -8.914 -6.279 1.00 0.00 N ATOM 0 H ARG A 75 -1.809 -5.737 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.347 -3.105 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.135 -4.318 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.690 -5.151 -3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.031 -6.880 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.511 -6.013 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.429 -7.617 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.781 -6.191 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.629 -7.692 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.951 -7.752 -6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.905 -8.720 -7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.292 -8.935 -5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.843 -9.387 -7.168 1.00 0.00 H new ATOM 1176 N GLU A 76 -4.635 -5.030 -0.879 1.00 0.00 N ATOM 1177 CA GLU A 76 -5.985 -5.036 -0.328 1.00 0.00 C ATOM 1178 C GLU A 76 -6.035 -4.282 0.998 1.00 0.00 C ATOM 1179 O GLU A 76 -6.640 -3.214 1.096 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.472 -6.473 -0.129 1.00 0.00 C ATOM 1181 CG GLU A 76 -7.950 -6.573 0.208 1.00 0.00 C ATOM 1182 CD GLU A 76 -8.559 -7.892 -0.226 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -8.366 -8.278 -1.397 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -9.230 -8.538 0.607 1.00 0.00 O ATOM 0 H GLU A 76 -4.109 -5.889 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.642 -4.532 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.275 -7.043 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.893 -6.936 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.083 -6.452 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.485 -5.754 -0.273 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.394 -4.847 2.017 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.365 -4.229 3.338 1.00 0.00 C ATOM 1193 C HIS A 77 -4.803 -2.812 3.263 1.00 0.00 C ATOM 1194 O HIS A 77 -5.262 -1.914 3.969 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.527 -5.072 4.300 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.180 -6.361 4.692 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -4.945 -7.631 4.288 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.212 -6.435 5.604 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -5.829 -8.442 4.958 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -6.581 -7.696 5.746 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.888 -5.731 1.953 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.388 -4.176 3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.565 -5.288 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.324 -4.489 5.198 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.650 -5.594 6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.897 -9.515 4.857 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.321 -8.035 6.360 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.809 -2.620 2.403 1.00 0.00 N ATOM 1210 CA PHE A 78 -3.183 -1.313 2.238 1.00 0.00 C ATOM 1211 C PHE A 78 -3.117 -0.925 0.763 1.00 0.00 C ATOM 1212 O PHE A 78 -3.473 -1.713 -0.113 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.776 -1.317 2.839 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.696 -2.006 4.171 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.807 -3.384 4.260 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.510 -1.276 5.334 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.733 -4.022 5.485 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.434 -1.908 6.560 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.547 -3.283 6.636 1.00 0.00 C ATOM 0 H PHE A 78 -3.419 -3.352 1.809 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.792 -0.577 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.094 -1.807 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.434 -0.288 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.953 -3.967 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.423 -0.201 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.821 -5.097 5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.286 -1.328 7.459 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.490 -3.779 7.594 1.00 0.00 H new ATOM 1229 N ILE A 79 -2.661 0.294 0.499 1.00 0.00 N ATOM 1230 CA ILE A 79 -2.548 0.787 -0.868 1.00 0.00 C ATOM 1231 C ILE A 79 -1.098 0.769 -1.341 1.00 0.00 C ATOM 1232 O ILE A 79 -0.287 1.596 -0.924 1.00 0.00 O ATOM 1233 CB ILE A 79 -3.100 2.219 -0.998 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -4.561 2.268 -0.546 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.968 2.710 -2.432 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -5.496 1.480 -1.436 1.00 0.00 C ATOM 0 H ILE A 79 -2.364 0.959 1.213 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.141 0.120 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.517 2.877 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.631 1.884 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.889 3.307 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.362 3.723 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.917 2.707 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.529 2.052 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.514 1.560 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.455 1.878 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.193 0.433 -1.445 1.00 0.00 H new ATOM 1248 N PHE A 80 -0.778 -0.179 -2.216 1.00 0.00 N ATOM 1249 CA PHE A 80 0.574 -0.305 -2.747 1.00 0.00 C ATOM 1250 C PHE A 80 1.059 1.023 -3.321 1.00 0.00 C ATOM 1251 O PHE A 80 0.532 1.508 -4.322 1.00 0.00 O ATOM 1252 CB PHE A 80 0.621 -1.388 -3.827 1.00 0.00 C ATOM 1253 CG PHE A 80 2.015 -1.823 -4.179 1.00 0.00 C ATOM 1254 CD1 PHE A 80 2.757 -2.594 -3.299 1.00 0.00 C ATOM 1255 CD2 PHE A 80 2.584 -1.460 -5.389 1.00 0.00 C ATOM 1256 CE1 PHE A 80 4.041 -2.995 -3.620 1.00 0.00 C ATOM 1257 CE2 PHE A 80 3.866 -1.858 -5.716 1.00 0.00 C ATOM 1258 CZ PHE A 80 4.595 -2.628 -4.831 1.00 0.00 C ATOM 0 H PHE A 80 -1.437 -0.871 -2.572 1.00 0.00 H new ATOM 0 HA PHE A 80 1.235 -0.589 -1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.054 -2.254 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.127 -1.016 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.328 -2.885 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.018 -0.858 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.610 -3.594 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.298 -1.567 -6.662 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.596 -2.943 -5.085 1.00 0.00 H new ATOM 1268 N TRP A 81 2.065 1.606 -2.678 1.00 0.00 N ATOM 1269 CA TRP A 81 2.621 2.878 -3.124 1.00 0.00 C ATOM 1270 C TRP A 81 4.141 2.878 -3.008 1.00 0.00 C ATOM 1271 O TRP A 81 4.688 3.028 -1.916 1.00 0.00 O ATOM 1272 CB TRP A 81 2.034 4.029 -2.305 1.00 0.00 C ATOM 1273 CG TRP A 81 2.046 5.341 -3.030 1.00 0.00 C ATOM 1274 CD1 TRP A 81 1.150 5.765 -3.970 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.000 6.396 -2.877 1.00 0.00 C ATOM 1276 NE1 TRP A 81 1.491 7.022 -4.409 1.00 0.00 N ATOM 1277 CE2 TRP A 81 2.621 7.432 -3.754 1.00 0.00 C ATOM 1278 CE3 TRP A 81 4.137 6.569 -2.082 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 3.340 8.620 -3.857 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 4.849 7.749 -2.187 1.00 0.00 C ATOM 1281 CH2 TRP A 81 4.449 8.762 -3.068 1.00 0.00 C ATOM 0 H TRP A 81 2.512 1.218 -1.847 1.00 0.00 H new ATOM 0 HA TRP A 81 2.356 3.015 -4.172 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.008 3.783 -2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 81 2.597 4.130 -1.377 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.300 5.197 -4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 81 0.984 7.562 -5.110 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.453 5.795 -1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.033 9.402 -4.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.730 7.893 -1.579 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.027 9.673 -3.126 1.00 0.00 H new ATOM 1292 N GLN A 82 4.817 2.710 -4.140 1.00 0.00 N ATOM 1293 CA GLN A 82 6.275 2.690 -4.163 1.00 0.00 C ATOM 1294 C GLN A 82 6.821 3.829 -5.018 1.00 0.00 C ATOM 1295 O GLN A 82 6.246 4.174 -6.051 1.00 0.00 O ATOM 1296 CB GLN A 82 6.779 1.348 -4.697 1.00 0.00 C ATOM 1297 CG GLN A 82 8.294 1.221 -4.689 1.00 0.00 C ATOM 1298 CD GLN A 82 8.821 0.597 -3.412 1.00 0.00 C ATOM 1299 OE1 GLN A 82 10.043 0.956 -3.037 1.00 0.00 O flip ATOM 1300 NE2 GLN A 82 8.136 -0.199 -2.768 1.00 0.00 N flip ATOM 0 H GLN A 82 4.379 2.586 -5.053 1.00 0.00 H new ATOM 0 HA GLN A 82 6.632 2.823 -3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.352 0.544 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.417 1.212 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.609 0.617 -5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.738 2.208 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.201 -0.447 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.503 -0.610 -1.910 1.00 0.00 H new ATOM 1309 N VAL A 83 7.934 4.409 -4.581 1.00 0.00 N ATOM 1310 CA VAL A 83 8.558 5.509 -5.306 1.00 0.00 C ATOM 1311 C VAL A 83 10.035 5.633 -4.951 1.00 0.00 C ATOM 1312 O VAL A 83 10.399 5.698 -3.777 1.00 0.00 O ATOM 1313 CB VAL A 83 7.856 6.848 -5.010 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.410 6.808 -5.480 1.00 0.00 C ATOM 1315 CG2 VAL A 83 7.934 7.173 -3.526 1.00 0.00 C ATOM 0 H VAL A 83 8.422 4.135 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 83 8.460 5.283 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 83 8.370 7.637 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.930 7.762 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.381 6.624 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.881 6.009 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.433 8.122 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.446 6.383 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.979 7.247 -3.224 1.00 0.00 H new ATOM 1325 N TYR A 84 10.883 5.666 -5.973 1.00 0.00 N ATOM 1326 CA TYR A 84 12.322 5.781 -5.769 1.00 0.00 C ATOM 1327 C TYR A 84 12.656 6.999 -4.913 1.00 0.00 C ATOM 1328 O TYR A 84 11.862 7.934 -4.807 1.00 0.00 O ATOM 1329 CB TYR A 84 13.043 5.877 -7.115 1.00 0.00 C ATOM 1330 CG TYR A 84 13.186 4.547 -7.821 1.00 0.00 C ATOM 1331 CD1 TYR A 84 14.217 3.673 -7.496 1.00 0.00 C ATOM 1332 CD2 TYR A 84 12.292 4.165 -8.814 1.00 0.00 C ATOM 1333 CE1 TYR A 84 14.352 2.458 -8.139 1.00 0.00 C ATOM 1334 CE2 TYR A 84 12.419 2.951 -9.461 1.00 0.00 C ATOM 1335 CZ TYR A 84 13.450 2.101 -9.120 1.00 0.00 C ATOM 1336 OH TYR A 84 13.581 0.892 -9.763 1.00 0.00 O ATOM 0 H TYR A 84 10.599 5.615 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 84 12.661 4.887 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.498 6.565 -7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.034 6.304 -6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.924 3.949 -6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 84 11.484 4.829 -9.085 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.159 1.791 -7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 84 11.715 2.669 -10.230 1.00 0.00 H new ATOM 0 HH TYR A 84 12.865 0.794 -10.425 1.00 0.00 H new ATOM 1346 N HIS A 85 13.837 6.980 -4.305 1.00 0.00 N ATOM 1347 CA HIS A 85 14.279 8.083 -3.458 1.00 0.00 C ATOM 1348 C HIS A 85 14.544 9.334 -4.290 1.00 0.00 C ATOM 1349 O HIS A 85 14.164 10.440 -3.905 1.00 0.00 O ATOM 1350 CB HIS A 85 15.541 7.691 -2.689 1.00 0.00 C ATOM 1351 CG HIS A 85 16.796 7.809 -3.498 1.00 0.00 C ATOM 1352 ND1 HIS A 85 17.703 8.834 -3.334 1.00 0.00 N ATOM 1353 CD2 HIS A 85 17.293 7.021 -4.480 1.00 0.00 C ATOM 1354 CE1 HIS A 85 18.704 8.673 -4.181 1.00 0.00 C ATOM 1355 NE2 HIS A 85 18.479 7.580 -4.888 1.00 0.00 N ATOM 0 H HIS A 85 14.506 6.214 -4.382 1.00 0.00 H new ATOM 0 HA HIS A 85 13.483 8.303 -2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.628 8.322 -1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.439 6.664 -2.339 1.00 0.00 H new ATOM 0 HD1 HIS A 85 17.615 9.598 -2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.841 6.121 -4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.560 9.324 -4.279 1.00 0.00 H new ATOM 1364 N ASP A 86 15.199 9.151 -5.431 1.00 0.00 N ATOM 1365 CA ASP A 86 15.516 10.265 -6.318 1.00 0.00 C ATOM 1366 C ASP A 86 14.244 10.967 -6.784 1.00 0.00 C ATOM 1367 O ASP A 86 14.153 12.194 -6.750 1.00 0.00 O ATOM 1368 CB ASP A 86 16.313 9.772 -7.527 1.00 0.00 C ATOM 1369 CG ASP A 86 15.430 9.136 -8.582 1.00 0.00 C ATOM 1370 OD1 ASP A 86 15.078 7.948 -8.424 1.00 0.00 O ATOM 1371 OD2 ASP A 86 15.091 9.826 -9.567 1.00 0.00 O ATOM 0 H ASP A 86 15.521 8.242 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 86 16.121 10.980 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 86 16.855 10.609 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 86 17.058 9.048 -7.197 1.00 0.00 H new ATOM 1376 N SER A 87 13.265 10.180 -7.220 1.00 0.00 N ATOM 1377 CA SER A 87 12.001 10.726 -7.697 1.00 0.00 C ATOM 1378 C SER A 87 11.396 11.677 -6.668 1.00 0.00 C ATOM 1379 O SER A 87 11.316 11.356 -5.483 1.00 0.00 O ATOM 1380 CB SER A 87 11.016 9.596 -8.004 1.00 0.00 C ATOM 1381 OG SER A 87 10.449 9.076 -6.814 1.00 0.00 O ATOM 0 H SER A 87 13.324 9.162 -7.252 1.00 0.00 H new ATOM 0 HA SER A 87 12.198 11.286 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.225 9.966 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.528 8.800 -8.545 1.00 0.00 H new ATOM 0 HG SER A 87 11.158 8.701 -6.251 1.00 0.00 H new ATOM 1387 N GLU A 88 10.973 12.849 -7.131 1.00 0.00 N ATOM 1388 CA GLU A 88 10.376 13.847 -6.251 1.00 0.00 C ATOM 1389 C GLU A 88 9.587 13.180 -5.128 1.00 0.00 C ATOM 1390 O GLU A 88 9.847 13.416 -3.949 1.00 0.00 O ATOM 1391 CB GLU A 88 9.462 14.780 -7.047 1.00 0.00 C ATOM 1392 CG GLU A 88 9.210 16.114 -6.364 1.00 0.00 C ATOM 1393 CD GLU A 88 10.493 16.826 -5.983 1.00 0.00 C ATOM 1394 OE1 GLU A 88 11.037 16.528 -4.899 1.00 0.00 O ATOM 1395 OE2 GLU A 88 10.954 17.681 -6.768 1.00 0.00 O ATOM 0 H GLU A 88 11.033 13.131 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 88 11.182 14.432 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.905 14.961 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.507 14.282 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.627 16.753 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.609 15.952 -5.469 1.00 0.00 H new ATOM 1402 N GLU A 89 8.622 12.347 -5.505 1.00 0.00 N ATOM 1403 CA GLU A 89 7.794 11.647 -4.530 1.00 0.00 C ATOM 1404 C GLU A 89 8.640 11.124 -3.373 1.00 0.00 C ATOM 1405 O GLU A 89 8.396 11.453 -2.213 1.00 0.00 O ATOM 1406 CB GLU A 89 7.051 10.488 -5.197 1.00 0.00 C ATOM 1407 CG GLU A 89 6.043 10.933 -6.243 1.00 0.00 C ATOM 1408 CD GLU A 89 5.499 9.776 -7.059 1.00 0.00 C ATOM 1409 OE1 GLU A 89 6.312 8.985 -7.583 1.00 0.00 O ATOM 1410 OE2 GLU A 89 4.261 9.661 -7.172 1.00 0.00 O ATOM 0 H GLU A 89 8.395 12.141 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 89 7.067 12.356 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.777 9.823 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.535 9.909 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.217 11.446 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.513 11.655 -6.911 1.00 0.00 H new ATOM 1417 N GLY A 90 9.638 10.307 -3.698 1.00 0.00 N ATOM 1418 CA GLY A 90 10.505 9.751 -2.676 1.00 0.00 C ATOM 1419 C GLY A 90 11.017 10.805 -1.714 1.00 0.00 C ATOM 1420 O GLY A 90 10.952 10.628 -0.498 1.00 0.00 O ATOM 0 H GLY A 90 9.861 10.021 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.962 8.988 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.351 9.256 -3.152 1.00 0.00 H new ATOM 1424 N GLN A 91 11.530 11.903 -2.261 1.00 0.00 N ATOM 1425 CA GLN A 91 12.059 12.988 -1.442 1.00 0.00 C ATOM 1426 C GLN A 91 11.023 13.455 -0.424 1.00 0.00 C ATOM 1427 O GLN A 91 11.359 13.769 0.718 1.00 0.00 O ATOM 1428 CB GLN A 91 12.488 14.160 -2.326 1.00 0.00 C ATOM 1429 CG GLN A 91 13.713 13.864 -3.177 1.00 0.00 C ATOM 1430 CD GLN A 91 15.010 14.192 -2.465 1.00 0.00 C ATOM 1431 OE1 GLN A 91 15.119 15.216 -1.789 1.00 0.00 O ATOM 1432 NE2 GLN A 91 16.003 13.323 -2.613 1.00 0.00 N ATOM 0 H GLN A 91 11.590 12.065 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 91 12.929 12.613 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.660 14.434 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.695 15.024 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.712 12.810 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.655 14.438 -4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.869 12.487 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.900 13.491 -2.157 1.00 0.00 H new ATOM 1441 N ARG A 92 9.764 13.500 -0.847 1.00 0.00 N ATOM 1442 CA ARG A 92 8.680 13.931 0.028 1.00 0.00 C ATOM 1443 C ARG A 92 8.627 13.076 1.291 1.00 0.00 C ATOM 1444 O ARG A 92 8.604 13.598 2.405 1.00 0.00 O ATOM 1445 CB ARG A 92 7.341 13.854 -0.709 1.00 0.00 C ATOM 1446 CG ARG A 92 7.333 14.595 -2.036 1.00 0.00 C ATOM 1447 CD ARG A 92 7.302 16.102 -1.833 1.00 0.00 C ATOM 1448 NE ARG A 92 5.968 16.578 -1.473 1.00 0.00 N ATOM 1449 CZ ARG A 92 5.745 17.708 -0.811 1.00 0.00 C ATOM 1450 NH1 ARG A 92 6.761 18.473 -0.438 1.00 0.00 N ATOM 1451 NH2 ARG A 92 4.503 18.074 -0.521 1.00 0.00 N ATOM 0 H ARG A 92 9.469 13.244 -1.789 1.00 0.00 H new ATOM 0 HA ARG A 92 8.870 14.965 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.093 12.807 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.560 14.264 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.218 14.323 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.466 14.288 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.009 16.377 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.630 16.598 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 92 5.164 16.012 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.717 18.195 -0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.587 19.340 0.070 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.719 17.488 -0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.333 18.942 -0.013 1.00 0.00 H new ATOM 1465 N TYR A 93 8.608 11.760 1.108 1.00 0.00 N ATOM 1466 CA TYR A 93 8.555 10.833 2.232 1.00 0.00 C ATOM 1467 C TYR A 93 9.751 11.031 3.158 1.00 0.00 C ATOM 1468 O TYR A 93 9.617 10.983 4.381 1.00 0.00 O ATOM 1469 CB TYR A 93 8.519 9.389 1.728 1.00 0.00 C ATOM 1470 CG TYR A 93 8.158 8.383 2.797 1.00 0.00 C ATOM 1471 CD1 TYR A 93 6.894 8.375 3.373 1.00 0.00 C ATOM 1472 CD2 TYR A 93 9.082 7.441 3.232 1.00 0.00 C ATOM 1473 CE1 TYR A 93 6.560 7.458 4.351 1.00 0.00 C ATOM 1474 CE2 TYR A 93 8.757 6.519 4.209 1.00 0.00 C ATOM 1475 CZ TYR A 93 7.495 6.532 4.765 1.00 0.00 C ATOM 1476 OH TYR A 93 7.166 5.616 5.738 1.00 0.00 O ATOM 0 H TYR A 93 8.629 11.312 0.192 1.00 0.00 H new ATOM 0 HA TYR A 93 7.645 11.037 2.796 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.798 9.315 0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.495 9.133 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.159 9.098 3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.071 7.429 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.573 7.466 4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.487 5.793 4.535 1.00 0.00 H new ATOM 0 HH TYR A 93 6.193 5.597 5.854 1.00 0.00 H new ATOM 1486 N ILE A 94 10.919 11.254 2.565 1.00 0.00 N ATOM 1487 CA ILE A 94 12.139 11.461 3.336 1.00 0.00 C ATOM 1488 C ILE A 94 12.024 12.693 4.227 1.00 0.00 C ATOM 1489 O ILE A 94 12.206 12.612 5.441 1.00 0.00 O ATOM 1490 CB ILE A 94 13.365 11.618 2.418 1.00 0.00 C ATOM 1491 CG1 ILE A 94 13.614 10.325 1.638 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.593 11.995 3.233 1.00 0.00 C ATOM 1493 CD1 ILE A 94 14.489 10.514 0.419 1.00 0.00 C ATOM 0 H ILE A 94 11.046 11.296 1.554 1.00 0.00 H new ATOM 0 HA ILE A 94 12.272 10.576 3.959 1.00 0.00 H new ATOM 0 HB ILE A 94 13.166 12.418 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.080 9.595 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.656 9.908 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.451 12.102 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.412 12.939 3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.797 11.215 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.623 9.557 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 94 14.015 11.220 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.461 10.902 0.725 1.00 0.00 H new ATOM 1505 N GLN A 95 11.719 13.833 3.614 1.00 0.00 N ATOM 1506 CA GLN A 95 11.578 15.082 4.352 1.00 0.00 C ATOM 1507 C GLN A 95 10.450 14.987 5.374 1.00 0.00 C ATOM 1508 O GLN A 95 10.510 15.600 6.440 1.00 0.00 O ATOM 1509 CB GLN A 95 11.314 16.241 3.390 1.00 0.00 C ATOM 1510 CG GLN A 95 9.852 16.385 2.998 1.00 0.00 C ATOM 1511 CD GLN A 95 9.568 17.685 2.270 1.00 0.00 C ATOM 1512 OE1 GLN A 95 9.976 17.869 1.123 1.00 0.00 O ATOM 1513 NE2 GLN A 95 8.866 18.595 2.935 1.00 0.00 N ATOM 0 H GLN A 95 11.565 13.917 2.609 1.00 0.00 H new ATOM 0 HA GLN A 95 12.511 15.267 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.651 17.169 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.911 16.098 2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.566 15.547 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.233 16.332 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.548 18.400 3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.645 19.489 2.497 1.00 0.00 H new ATOM 1522 N PHE A 96 9.420 14.216 5.041 1.00 0.00 N ATOM 1523 CA PHE A 96 8.277 14.041 5.929 1.00 0.00 C ATOM 1524 C PHE A 96 8.735 13.794 7.364 1.00 0.00 C ATOM 1525 O PHE A 96 8.452 14.587 8.262 1.00 0.00 O ATOM 1526 CB PHE A 96 7.407 12.876 5.452 1.00 0.00 C ATOM 1527 CG PHE A 96 5.999 12.927 5.974 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.753 13.085 7.328 1.00 0.00 C ATOM 1529 CD2 PHE A 96 4.922 12.815 5.110 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.459 13.132 7.811 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.626 12.862 5.587 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.394 13.020 6.940 1.00 0.00 C ATOM 0 H PHE A 96 9.354 13.702 4.162 1.00 0.00 H new ATOM 0 HA PHE A 96 7.688 14.958 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.382 12.874 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.867 11.938 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.582 13.172 8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.097 12.690 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.281 13.256 8.869 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.795 12.775 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.382 13.056 7.315 1.00 0.00 H new ATOM 1542 N TYR A 97 9.443 12.690 7.570 1.00 0.00 N ATOM 1543 CA TYR A 97 9.938 12.336 8.895 1.00 0.00 C ATOM 1544 C TYR A 97 11.460 12.425 8.950 1.00 0.00 C ATOM 1545 O TYR A 97 12.090 11.940 9.890 1.00 0.00 O ATOM 1546 CB TYR A 97 9.485 10.925 9.272 1.00 0.00 C ATOM 1547 CG TYR A 97 7.983 10.775 9.363 1.00 0.00 C ATOM 1548 CD1 TYR A 97 7.208 10.643 8.217 1.00 0.00 C ATOM 1549 CD2 TYR A 97 7.339 10.768 10.594 1.00 0.00 C ATOM 1550 CE1 TYR A 97 5.835 10.507 8.295 1.00 0.00 C ATOM 1551 CE2 TYR A 97 5.967 10.631 10.682 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.220 10.501 9.530 1.00 0.00 C ATOM 1553 OH TYR A 97 3.853 10.366 9.613 1.00 0.00 O ATOM 0 H TYR A 97 9.687 12.024 6.837 1.00 0.00 H new ATOM 0 HA TYR A 97 9.524 13.046 9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.868 10.220 8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 97 9.927 10.654 10.231 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.687 10.647 7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.921 10.871 11.498 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.247 10.406 7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.482 10.626 11.647 1.00 0.00 H new ATOM 0 HH TYR A 97 3.422 11.103 9.132 1.00 0.00 H new ATOM 1563 N LYS A 98 12.047 13.049 7.934 1.00 0.00 N ATOM 1564 CA LYS A 98 13.495 13.205 7.864 1.00 0.00 C ATOM 1565 C LYS A 98 14.192 11.850 7.927 1.00 0.00 C ATOM 1566 O LYS A 98 15.187 11.684 8.634 1.00 0.00 O ATOM 1567 CB LYS A 98 13.988 14.098 9.005 1.00 0.00 C ATOM 1568 CG LYS A 98 13.377 15.488 8.997 1.00 0.00 C ATOM 1569 CD LYS A 98 14.137 16.425 8.073 1.00 0.00 C ATOM 1570 CE LYS A 98 15.402 16.953 8.731 1.00 0.00 C ATOM 1571 NZ LYS A 98 16.572 16.070 8.471 1.00 0.00 N ATOM 0 H LYS A 98 11.541 13.455 7.147 1.00 0.00 H new ATOM 0 HA LYS A 98 13.739 13.675 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.761 13.616 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.073 14.187 8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.336 15.427 8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.378 15.893 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.396 15.900 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.496 17.261 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.614 17.955 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.244 17.039 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.407 16.653 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.761 15.487 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.367 15.452 7.660 1.00 0.00 H new ATOM 1585 N LEU A 99 13.664 10.884 7.183 1.00 0.00 N ATOM 1586 CA LEU A 99 14.237 9.542 7.153 1.00 0.00 C ATOM 1587 C LEU A 99 15.709 9.587 6.757 1.00 0.00 C ATOM 1588 O LEU A 99 16.147 10.501 6.059 1.00 0.00 O ATOM 1589 CB LEU A 99 13.461 8.657 6.176 1.00 0.00 C ATOM 1590 CG LEU A 99 14.197 7.418 5.663 1.00 0.00 C ATOM 1591 CD1 LEU A 99 13.207 6.373 5.175 1.00 0.00 C ATOM 1592 CD2 LEU A 99 15.167 7.796 4.553 1.00 0.00 C ATOM 0 H LEU A 99 12.841 11.005 6.593 1.00 0.00 H new ATOM 0 HA LEU A 99 14.162 9.119 8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.541 8.333 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.171 9.264 5.318 1.00 0.00 H new ATOM 0 HG LEU A 99 14.768 6.990 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.749 5.499 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.552 6.080 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.609 6.789 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.682 6.903 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.617 8.248 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 99 15.898 8.509 4.935 1.00 0.00 H new ATOM 1604 N GLY A 100 16.469 8.593 7.207 1.00 0.00 N ATOM 1605 CA GLY A 100 17.884 8.537 6.888 1.00 0.00 C ATOM 1606 C GLY A 100 18.466 7.150 7.075 1.00 0.00 C ATOM 1607 O GLY A 100 19.601 7.002 7.529 1.00 0.00 O ATOM 0 H GLY A 100 16.130 7.825 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.033 8.854 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.424 9.242 7.520 1.00 0.00 H new ATOM 1611 N ASP A 101 17.687 6.132 6.728 1.00 0.00 N ATOM 1612 CA ASP A 101 18.132 4.749 6.861 1.00 0.00 C ATOM 1613 C ASP A 101 17.320 3.828 5.956 1.00 0.00 C ATOM 1614 O ASP A 101 16.274 4.216 5.435 1.00 0.00 O ATOM 1615 CB ASP A 101 18.014 4.291 8.315 1.00 0.00 C ATOM 1616 CG ASP A 101 16.788 4.857 9.003 1.00 0.00 C ATOM 1617 OD1 ASP A 101 15.680 4.330 8.769 1.00 0.00 O ATOM 1618 OD2 ASP A 101 16.935 5.828 9.775 1.00 0.00 O ATOM 0 H ASP A 101 16.745 6.238 6.353 1.00 0.00 H new ATOM 0 HA ASP A 101 19.177 4.698 6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.975 3.202 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.907 4.595 8.862 1.00 0.00 H new ATOM 1623 N PHE A 102 17.808 2.605 5.774 1.00 0.00 N ATOM 1624 CA PHE A 102 17.128 1.629 4.931 1.00 0.00 C ATOM 1625 C PHE A 102 17.505 0.206 5.335 1.00 0.00 C ATOM 1626 O PHE A 102 18.591 -0.052 5.853 1.00 0.00 O ATOM 1627 CB PHE A 102 17.478 1.862 3.460 1.00 0.00 C ATOM 1628 CG PHE A 102 17.493 3.313 3.071 1.00 0.00 C ATOM 1629 CD1 PHE A 102 18.640 4.074 3.227 1.00 0.00 C ATOM 1630 CD2 PHE A 102 16.360 3.916 2.548 1.00 0.00 C ATOM 1631 CE1 PHE A 102 18.656 5.409 2.870 1.00 0.00 C ATOM 1632 CE2 PHE A 102 16.370 5.250 2.189 1.00 0.00 C ATOM 1633 CZ PHE A 102 17.521 5.998 2.350 1.00 0.00 C ATOM 0 H PHE A 102 18.671 2.267 6.199 1.00 0.00 H new ATOM 0 HA PHE A 102 16.054 1.755 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 102 18.457 1.429 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 102 16.758 1.334 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 102 19.532 3.619 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.458 3.336 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.556 5.991 2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.480 5.708 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.532 7.041 2.070 1.00 0.00 H new ATOM 1643 N PRO A 103 16.585 -0.740 5.093 1.00 0.00 N ATOM 1644 CA PRO A 103 15.288 -0.444 4.477 1.00 0.00 C ATOM 1645 C PRO A 103 14.372 0.347 5.405 1.00 0.00 C ATOM 1646 O PRO A 103 14.614 0.428 6.610 1.00 0.00 O ATOM 1647 CB PRO A 103 14.701 -1.831 4.202 1.00 0.00 C ATOM 1648 CG PRO A 103 15.357 -2.724 5.198 1.00 0.00 C ATOM 1649 CD PRO A 103 16.740 -2.171 5.403 1.00 0.00 C ATOM 0 HA PRO A 103 15.392 0.175 3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.618 -1.833 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.910 -2.154 3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.800 -2.739 6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.397 -3.751 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.087 -2.325 6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.465 -2.649 4.744 1.00 0.00 H new ATOM 1657 N TYR A 104 13.321 0.928 4.838 1.00 0.00 N ATOM 1658 CA TYR A 104 12.371 1.714 5.615 1.00 0.00 C ATOM 1659 C TYR A 104 10.935 1.374 5.226 1.00 0.00 C ATOM 1660 O TYR A 104 10.578 1.392 4.048 1.00 0.00 O ATOM 1661 CB TYR A 104 12.625 3.209 5.410 1.00 0.00 C ATOM 1662 CG TYR A 104 12.132 4.069 6.551 1.00 0.00 C ATOM 1663 CD1 TYR A 104 10.773 4.266 6.762 1.00 0.00 C ATOM 1664 CD2 TYR A 104 13.025 4.686 7.419 1.00 0.00 C ATOM 1665 CE1 TYR A 104 10.317 5.051 7.803 1.00 0.00 C ATOM 1666 CE2 TYR A 104 12.579 5.472 8.463 1.00 0.00 C ATOM 1667 CZ TYR A 104 11.224 5.652 8.651 1.00 0.00 C ATOM 1668 OH TYR A 104 10.776 6.435 9.690 1.00 0.00 O ATOM 0 H TYR A 104 13.105 0.869 3.843 1.00 0.00 H new ATOM 0 HA TYR A 104 12.512 1.469 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.695 3.373 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.138 3.529 4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.060 3.797 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.086 4.548 7.274 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.257 5.193 7.952 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.287 5.943 9.129 1.00 0.00 H new ATOM 0 HH TYR A 104 11.543 6.782 10.192 1.00 0.00 H new ATOM 1678 N VAL A 105 10.116 1.063 6.225 1.00 0.00 N ATOM 1679 CA VAL A 105 8.719 0.720 5.990 1.00 0.00 C ATOM 1680 C VAL A 105 7.843 1.144 7.163 1.00 0.00 C ATOM 1681 O VAL A 105 8.006 0.655 8.281 1.00 0.00 O ATOM 1682 CB VAL A 105 8.544 -0.792 5.754 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.080 -1.130 5.517 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.403 -1.251 4.585 1.00 0.00 C ATOM 0 H VAL A 105 10.396 1.042 7.206 1.00 0.00 H new ATOM 0 HA VAL A 105 8.408 1.259 5.095 1.00 0.00 H new ATOM 0 HB VAL A 105 8.873 -1.323 6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.976 -2.202 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.494 -0.838 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.720 -0.592 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.267 -2.322 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.107 -0.715 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.451 -1.045 4.801 1.00 0.00 H new ATOM 1694 N SER A 106 6.914 2.058 6.902 1.00 0.00 N ATOM 1695 CA SER A 106 6.014 2.552 7.937 1.00 0.00 C ATOM 1696 C SER A 106 4.598 2.717 7.393 1.00 0.00 C ATOM 1697 O SER A 106 4.402 2.918 6.194 1.00 0.00 O ATOM 1698 CB SER A 106 6.519 3.886 8.488 1.00 0.00 C ATOM 1699 OG SER A 106 7.726 3.715 9.212 1.00 0.00 O ATOM 0 H SER A 106 6.765 2.472 5.982 1.00 0.00 H new ATOM 0 HA SER A 106 5.992 1.819 8.744 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.680 4.585 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.761 4.325 9.137 1.00 0.00 H new ATOM 0 HG SER A 106 7.520 3.540 10.154 1.00 0.00 H new ATOM 1705 N ILE A 107 3.615 2.629 8.283 1.00 0.00 N ATOM 1706 CA ILE A 107 2.218 2.770 7.893 1.00 0.00 C ATOM 1707 C ILE A 107 1.667 4.131 8.303 1.00 0.00 C ATOM 1708 O ILE A 107 1.960 4.630 9.390 1.00 0.00 O ATOM 1709 CB ILE A 107 1.345 1.666 8.519 1.00 0.00 C ATOM 1710 CG1 ILE A 107 1.854 0.285 8.100 1.00 0.00 C ATOM 1711 CG2 ILE A 107 -0.110 1.846 8.112 1.00 0.00 C ATOM 1712 CD1 ILE A 107 1.106 -0.857 8.752 1.00 0.00 C ATOM 0 H ILE A 107 3.760 2.461 9.278 1.00 0.00 H new ATOM 0 HA ILE A 107 2.183 2.679 6.807 1.00 0.00 H new ATOM 0 HB ILE A 107 1.410 1.743 9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.774 0.190 7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.912 0.205 8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.714 1.058 8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.466 2.817 8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.194 1.792 7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.520 -1.806 8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.207 -0.787 9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.051 -0.802 8.482 1.00 0.00 H new ATOM 1724 N LEU A 108 0.866 4.728 7.426 1.00 0.00 N ATOM 1725 CA LEU A 108 0.271 6.032 7.697 1.00 0.00 C ATOM 1726 C LEU A 108 -1.252 5.950 7.679 1.00 0.00 C ATOM 1727 O LEU A 108 -1.826 4.997 7.152 1.00 0.00 O ATOM 1728 CB LEU A 108 0.750 7.057 6.667 1.00 0.00 C ATOM 1729 CG LEU A 108 2.265 7.169 6.487 1.00 0.00 C ATOM 1730 CD1 LEU A 108 2.596 8.045 5.289 1.00 0.00 C ATOM 1731 CD2 LEU A 108 2.912 7.722 7.749 1.00 0.00 C ATOM 0 H LEU A 108 0.614 4.329 6.522 1.00 0.00 H new ATOM 0 HA LEU A 108 0.588 6.349 8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.307 6.808 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.364 8.036 6.952 1.00 0.00 H new ATOM 0 HG LEU A 108 2.665 6.172 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.678 8.113 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.164 7.608 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.183 9.042 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.990 7.795 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.507 8.711 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.703 7.056 8.587 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.900 6.956 8.257 1.00 0.00 N ATOM 1744 CA ASP A 109 -3.356 6.999 8.305 1.00 0.00 C ATOM 1745 C ASP A 109 -3.903 8.009 7.300 1.00 0.00 C ATOM 1746 O ASP A 109 -3.605 9.202 7.357 1.00 0.00 O ATOM 1747 CB ASP A 109 -3.831 7.356 9.714 1.00 0.00 C ATOM 1748 CG ASP A 109 -5.243 6.876 9.988 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -6.042 6.808 9.032 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -5.549 6.570 11.160 1.00 0.00 O ATOM 0 H ASP A 109 -1.440 7.752 8.698 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.733 6.010 8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.153 6.916 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.786 8.437 9.847 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.721 7.521 6.356 1.00 0.00 N ATOM 1756 CA PRO A 110 -5.326 8.363 5.320 1.00 0.00 C ATOM 1757 C PRO A 110 -6.381 9.308 5.884 1.00 0.00 C ATOM 1758 O PRO A 110 -7.058 10.015 5.137 1.00 0.00 O ATOM 1759 CB PRO A 110 -5.969 7.350 4.369 1.00 0.00 C ATOM 1760 CG PRO A 110 -6.229 6.151 5.214 1.00 0.00 C ATOM 1761 CD PRO A 110 -5.119 6.109 6.227 1.00 0.00 C ATOM 0 HA PRO A 110 -4.591 9.010 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.892 7.740 3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.306 7.112 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.201 6.221 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.241 5.243 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.458 5.699 7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.290 5.487 5.889 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.516 9.316 7.206 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.490 10.174 7.870 1.00 0.00 C ATOM 1771 C ARG A 111 -6.793 11.297 8.634 1.00 0.00 C ATOM 1772 O ARG A 111 -7.304 12.414 8.720 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.356 9.353 8.827 1.00 0.00 C ATOM 1774 CG ARG A 111 -9.593 8.760 8.172 1.00 0.00 C ATOM 1775 CD ARG A 111 -10.694 8.506 9.189 1.00 0.00 C ATOM 1776 NE ARG A 111 -11.989 8.285 8.550 1.00 0.00 N ATOM 1777 CZ ARG A 111 -12.795 9.267 8.164 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -12.442 10.531 8.351 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -13.958 8.986 7.590 1.00 0.00 N ATOM 0 H ARG A 111 -5.963 8.738 7.839 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.127 10.618 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.755 8.546 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.664 9.986 9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.958 9.438 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.331 7.825 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.435 7.637 9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.765 9.357 9.867 1.00 0.00 H new ATOM 0 HE ARG A 111 -12.291 7.324 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.549 10.751 8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -13.063 11.283 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.234 8.015 7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -14.576 9.741 7.294 1.00 0.00 H new ATOM 1793 N THR A 112 -5.623 10.992 9.187 1.00 0.00 N ATOM 1794 CA THR A 112 -4.858 11.974 9.944 1.00 0.00 C ATOM 1795 C THR A 112 -3.586 12.370 9.203 1.00 0.00 C ATOM 1796 O THR A 112 -3.182 13.532 9.221 1.00 0.00 O ATOM 1797 CB THR A 112 -4.480 11.438 11.338 1.00 0.00 C ATOM 1798 OG1 THR A 112 -3.602 10.315 11.210 1.00 0.00 O ATOM 1799 CG2 THR A 112 -5.723 11.031 12.116 1.00 0.00 C ATOM 0 H THR A 112 -5.185 10.073 9.125 1.00 0.00 H new ATOM 0 HA THR A 112 -5.496 12.850 10.060 1.00 0.00 H new ATOM 0 HB THR A 112 -3.973 12.234 11.884 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.492 9.884 12.083 1.00 0.00 H new ATOM 0 HG21 THR A 112 -5.432 10.656 13.097 1.00 0.00 H new ATOM 0 HG22 THR A 112 -6.376 11.896 12.237 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.253 10.250 11.572 1.00 0.00 H new ATOM 1807 N GLY A 113 -2.959 11.396 8.551 1.00 0.00 N ATOM 1808 CA GLY A 113 -1.739 11.664 7.812 1.00 0.00 C ATOM 1809 C GLY A 113 -0.501 11.568 8.681 1.00 0.00 C ATOM 1810 O GLY A 113 0.469 12.296 8.473 1.00 0.00 O ATOM 0 H GLY A 113 -3.274 10.426 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.655 10.957 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.795 12.660 7.374 1.00 0.00 H new ATOM 1814 N GLN A 114 -0.536 10.669 9.660 1.00 0.00 N ATOM 1815 CA GLN A 114 0.592 10.484 10.565 1.00 0.00 C ATOM 1816 C GLN A 114 1.095 9.044 10.520 1.00 0.00 C ATOM 1817 O GLN A 114 0.485 8.182 9.889 1.00 0.00 O ATOM 1818 CB GLN A 114 0.191 10.851 11.995 1.00 0.00 C ATOM 1819 CG GLN A 114 -0.697 9.815 12.664 1.00 0.00 C ATOM 1820 CD GLN A 114 -1.498 10.388 13.816 1.00 0.00 C ATOM 1821 OE1 GLN A 114 -1.587 11.605 13.981 1.00 0.00 O ATOM 1822 NE2 GLN A 114 -2.088 9.512 14.621 1.00 0.00 N ATOM 0 H GLN A 114 -1.332 10.059 9.846 1.00 0.00 H new ATOM 0 HA GLN A 114 1.398 11.142 10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.092 10.985 12.593 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -0.329 11.809 11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.380 9.396 11.925 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -0.079 8.994 13.029 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -1.988 8.512 14.447 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.641 9.839 15.413 1.00 0.00 H new ATOM 1831 N LYS A 115 2.212 8.792 11.194 1.00 0.00 N ATOM 1832 CA LYS A 115 2.798 7.457 11.232 1.00 0.00 C ATOM 1833 C LYS A 115 2.186 6.627 12.356 1.00 0.00 C ATOM 1834 O LYS A 115 2.031 7.103 13.481 1.00 0.00 O ATOM 1835 CB LYS A 115 4.314 7.549 11.419 1.00 0.00 C ATOM 1836 CG LYS A 115 5.028 6.219 11.254 1.00 0.00 C ATOM 1837 CD LYS A 115 6.518 6.348 11.526 1.00 0.00 C ATOM 1838 CE LYS A 115 6.841 6.097 12.991 1.00 0.00 C ATOM 1839 NZ LYS A 115 6.738 7.340 13.803 1.00 0.00 N ATOM 0 H LYS A 115 2.730 9.495 11.722 1.00 0.00 H new ATOM 0 HA LYS A 115 2.584 6.966 10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.718 8.261 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.526 7.945 12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.595 5.486 11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.873 5.845 10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.065 5.639 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.855 7.345 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.159 5.346 13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.849 5.690 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.355 7.262 14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.034 8.155 13.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.754 7.473 14.111 1.00 0.00 H new ATOM 1853 N LEU A 116 1.840 5.382 12.044 1.00 0.00 N ATOM 1854 CA LEU A 116 1.247 4.484 13.028 1.00 0.00 C ATOM 1855 C LEU A 116 2.310 3.596 13.667 1.00 0.00 C ATOM 1856 O LEU A 116 2.672 3.781 14.829 1.00 0.00 O ATOM 1857 CB LEU A 116 0.169 3.618 12.373 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.019 4.367 11.768 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -0.603 5.087 10.495 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -2.168 3.410 11.491 1.00 0.00 C ATOM 0 H LEU A 116 1.960 4.972 11.118 1.00 0.00 H new ATOM 0 HA LEU A 116 0.791 5.092 13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.636 3.024 11.588 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.210 2.919 13.119 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.359 5.112 12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.461 5.614 10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.187 5.802 10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.236 4.361 9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.005 3.961 11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.841 2.642 10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.483 2.941 12.423 1.00 0.00 H new ATOM 1872 N VAL A 117 2.808 2.632 12.899 1.00 0.00 N ATOM 1873 CA VAL A 117 3.833 1.718 13.388 1.00 0.00 C ATOM 1874 C VAL A 117 5.176 1.991 12.722 1.00 0.00 C ATOM 1875 O VAL A 117 5.289 2.868 11.867 1.00 0.00 O ATOM 1876 CB VAL A 117 3.439 0.249 13.141 1.00 0.00 C ATOM 1877 CG1 VAL A 117 2.043 -0.027 13.678 1.00 0.00 C ATOM 1878 CG2 VAL A 117 3.523 -0.082 11.659 1.00 0.00 C ATOM 0 H VAL A 117 2.518 2.464 11.936 1.00 0.00 H new ATOM 0 HA VAL A 117 3.922 1.887 14.461 1.00 0.00 H new ATOM 0 HB VAL A 117 4.141 -0.392 13.674 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.782 -1.069 13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.020 0.170 14.750 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.325 0.621 13.175 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.242 -1.123 11.502 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.845 0.565 11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.543 0.075 11.308 1.00 0.00 H new ATOM 1888 N GLU A 118 6.193 1.233 13.120 1.00 0.00 N ATOM 1889 CA GLU A 118 7.530 1.394 12.561 1.00 0.00 C ATOM 1890 C GLU A 118 8.286 0.068 12.566 1.00 0.00 C ATOM 1891 O GLU A 118 8.420 -0.578 13.606 1.00 0.00 O ATOM 1892 CB GLU A 118 8.315 2.443 13.352 1.00 0.00 C ATOM 1893 CG GLU A 118 8.295 2.214 14.854 1.00 0.00 C ATOM 1894 CD GLU A 118 9.398 2.965 15.573 1.00 0.00 C ATOM 1895 OE1 GLU A 118 9.416 4.211 15.497 1.00 0.00 O ATOM 1896 OE2 GLU A 118 10.244 2.305 16.212 1.00 0.00 O ATOM 0 H GLU A 118 6.116 0.502 13.827 1.00 0.00 H new ATOM 0 HA GLU A 118 7.426 1.729 11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.349 2.447 13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.904 3.430 13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.329 2.525 15.252 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.395 1.148 15.057 1.00 0.00 H new ATOM 1903 N TRP A 119 8.776 -0.331 11.398 1.00 0.00 N ATOM 1904 CA TRP A 119 9.517 -1.580 11.267 1.00 0.00 C ATOM 1905 C TRP A 119 10.759 -1.388 10.405 1.00 0.00 C ATOM 1906 O TRP A 119 10.661 -1.074 9.218 1.00 0.00 O ATOM 1907 CB TRP A 119 8.625 -2.666 10.663 1.00 0.00 C ATOM 1908 CG TRP A 119 7.346 -2.872 11.418 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.198 -2.945 12.774 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.038 -3.034 10.860 1.00 0.00 C ATOM 1911 NE1 TRP A 119 5.876 -3.142 13.092 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.144 -3.199 11.936 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.534 -3.053 9.557 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 3.777 -3.382 11.746 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.177 -3.235 9.370 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.311 -3.397 10.459 1.00 0.00 C ATOM 0 H TRP A 119 8.674 0.192 10.528 1.00 0.00 H new ATOM 0 HA TRP A 119 9.833 -1.892 12.263 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.391 -2.402 9.632 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.177 -3.605 10.634 1.00 0.00 H new ATOM 0 HD1 TRP A 119 8.002 -2.860 13.490 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.501 -3.231 14.036 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.193 -2.928 8.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.108 -3.508 12.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.777 -3.253 8.367 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.255 -3.536 10.280 1.00 0.00 H new ATOM 1927 N HIS A 120 11.929 -1.579 11.007 1.00 0.00 N ATOM 1928 CA HIS A 120 13.191 -1.427 10.293 1.00 0.00 C ATOM 1929 C HIS A 120 13.565 -2.718 9.570 1.00 0.00 C ATOM 1930 O HIS A 120 13.986 -2.692 8.413 1.00 0.00 O ATOM 1931 CB HIS A 120 14.306 -1.031 11.261 1.00 0.00 C ATOM 1932 CG HIS A 120 15.388 -0.213 10.627 1.00 0.00 C ATOM 1933 ND1 HIS A 120 16.528 -0.587 10.000 1.00 0.00 N flip ATOM 1934 CD2 HIS A 120 15.369 1.165 10.594 1.00 0.00 C flip ATOM 1935 CE1 HIS A 120 17.169 0.560 9.603 1.00 0.00 C flip ATOM 1936 NE2 HIS A 120 16.449 1.604 9.973 1.00 0.00 N flip ATOM 0 H HIS A 120 12.029 -1.839 11.988 1.00 0.00 H new ATOM 0 HA HIS A 120 13.067 -0.638 9.552 1.00 0.00 H new ATOM 0 HB2 HIS A 120 13.874 -0.468 12.089 1.00 0.00 H new ATOM 0 HB3 HIS A 120 14.746 -1.934 11.685 1.00 0.00 H new ATOM 0 HD1 HIS A 120 16.851 -1.543 9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 120 14.592 1.789 11.011 1.00 0.00 H new ATOM 0 HE1 HIS A 120 18.110 0.602 9.074 1.00 0.00 H new ATOM 1945 N GLN A 121 13.408 -3.843 10.259 1.00 0.00 N ATOM 1946 CA GLN A 121 13.731 -5.143 9.682 1.00 0.00 C ATOM 1947 C GLN A 121 12.462 -5.910 9.324 1.00 0.00 C ATOM 1948 O GLN A 121 11.623 -6.180 10.185 1.00 0.00 O ATOM 1949 CB GLN A 121 14.577 -5.962 10.658 1.00 0.00 C ATOM 1950 CG GLN A 121 15.218 -7.187 10.027 1.00 0.00 C ATOM 1951 CD GLN A 121 16.476 -7.627 10.751 1.00 0.00 C ATOM 1952 OE1 GLN A 121 17.444 -6.872 10.852 1.00 0.00 O ATOM 1953 NE2 GLN A 121 16.468 -8.853 11.261 1.00 0.00 N ATOM 0 H GLN A 121 13.059 -3.881 11.217 1.00 0.00 H new ATOM 0 HA GLN A 121 14.302 -4.975 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 121 15.359 -5.325 11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.950 -6.279 11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.500 -8.007 10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 121 15.459 -6.971 8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.644 -9.445 11.154 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.286 -9.203 11.760 1.00 0.00 H new ATOM 1962 N LEU A 122 12.326 -6.258 8.049 1.00 0.00 N ATOM 1963 CA LEU A 122 11.159 -6.994 7.577 1.00 0.00 C ATOM 1964 C LEU A 122 11.577 -8.218 6.770 1.00 0.00 C ATOM 1965 O LEU A 122 12.690 -8.279 6.248 1.00 0.00 O ATOM 1966 CB LEU A 122 10.270 -6.086 6.725 1.00 0.00 C ATOM 1967 CG LEU A 122 8.812 -6.524 6.575 1.00 0.00 C ATOM 1968 CD1 LEU A 122 7.995 -6.081 7.778 1.00 0.00 C ATOM 1969 CD2 LEU A 122 8.218 -5.966 5.290 1.00 0.00 C ATOM 0 H LEU A 122 13.010 -6.042 7.324 1.00 0.00 H new ATOM 0 HA LEU A 122 10.596 -7.331 8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.285 -5.086 7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.710 -6.010 5.731 1.00 0.00 H new ATOM 0 HG LEU A 122 8.783 -7.612 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.961 -6.401 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 122 8.407 -6.529 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.031 -4.995 7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.180 -6.287 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.260 -4.877 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.788 -6.333 4.436 1.00 0.00 H new ATOM 1981 N ASP A 123 10.677 -9.190 6.670 1.00 0.00 N ATOM 1982 CA ASP A 123 10.951 -10.413 5.923 1.00 0.00 C ATOM 1983 C ASP A 123 9.654 -11.126 5.554 1.00 0.00 C ATOM 1984 O ASP A 123 8.573 -10.741 5.998 1.00 0.00 O ATOM 1985 CB ASP A 123 11.846 -11.345 6.740 1.00 0.00 C ATOM 1986 CG ASP A 123 12.299 -12.555 5.947 1.00 0.00 C ATOM 1987 OD1 ASP A 123 13.237 -12.416 5.135 1.00 0.00 O ATOM 1988 OD2 ASP A 123 11.715 -13.642 6.140 1.00 0.00 O ATOM 0 H ASP A 123 9.751 -9.155 7.097 1.00 0.00 H new ATOM 0 HA ASP A 123 11.468 -10.140 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.720 -10.793 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.306 -11.677 7.627 1.00 0.00 H new ATOM 1993 N VAL A 124 9.770 -12.169 4.738 1.00 0.00 N ATOM 1994 CA VAL A 124 8.608 -12.937 4.309 1.00 0.00 C ATOM 1995 C VAL A 124 7.713 -13.288 5.493 1.00 0.00 C ATOM 1996 O VAL A 124 6.518 -12.993 5.490 1.00 0.00 O ATOM 1997 CB VAL A 124 9.025 -14.235 3.593 1.00 0.00 C ATOM 1998 CG1 VAL A 124 7.832 -15.164 3.430 1.00 0.00 C ATOM 1999 CG2 VAL A 124 9.654 -13.920 2.243 1.00 0.00 C ATOM 0 H VAL A 124 10.658 -12.501 4.361 1.00 0.00 H new ATOM 0 HA VAL A 124 8.054 -12.308 3.612 1.00 0.00 H new ATOM 0 HB VAL A 124 9.769 -14.744 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 124 8.147 -16.075 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.430 -15.416 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.062 -14.667 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 124 9.943 -14.849 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 124 8.934 -13.388 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.536 -13.297 2.389 1.00 0.00 H new ATOM 2009 N SER A 125 8.301 -13.919 6.504 1.00 0.00 N ATOM 2010 CA SER A 125 7.557 -14.314 7.695 1.00 0.00 C ATOM 2011 C SER A 125 7.314 -13.114 8.606 1.00 0.00 C ATOM 2012 O SER A 125 6.171 -12.768 8.904 1.00 0.00 O ATOM 2013 CB SER A 125 8.313 -15.403 8.457 1.00 0.00 C ATOM 2014 OG SER A 125 7.523 -15.932 9.508 1.00 0.00 O ATOM 0 H SER A 125 9.290 -14.168 6.523 1.00 0.00 H new ATOM 0 HA SER A 125 6.592 -14.708 7.377 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.594 -16.202 7.771 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.237 -14.992 8.864 1.00 0.00 H new ATOM 0 HG SER A 125 8.028 -16.627 9.979 1.00 0.00 H new ATOM 2020 N SER A 126 8.399 -12.484 9.045 1.00 0.00 N ATOM 2021 CA SER A 126 8.306 -11.325 9.926 1.00 0.00 C ATOM 2022 C SER A 126 7.170 -10.404 9.493 1.00 0.00 C ATOM 2023 O SER A 126 6.342 -9.995 10.308 1.00 0.00 O ATOM 2024 CB SER A 126 9.628 -10.555 9.932 1.00 0.00 C ATOM 2025 OG SER A 126 10.543 -11.122 10.854 1.00 0.00 O ATOM 0 H SER A 126 9.352 -12.756 8.805 1.00 0.00 H new ATOM 0 HA SER A 126 8.097 -11.682 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.062 -10.563 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.444 -9.512 10.191 1.00 0.00 H new ATOM 0 HG SER A 126 11.381 -10.614 10.838 1.00 0.00 H new ATOM 2031 N PHE A 127 7.137 -10.080 8.205 1.00 0.00 N ATOM 2032 CA PHE A 127 6.103 -9.206 7.662 1.00 0.00 C ATOM 2033 C PHE A 127 4.713 -9.712 8.034 1.00 0.00 C ATOM 2034 O PHE A 127 3.935 -9.008 8.678 1.00 0.00 O ATOM 2035 CB PHE A 127 6.234 -9.111 6.140 1.00 0.00 C ATOM 2036 CG PHE A 127 5.085 -8.400 5.484 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.067 -7.017 5.398 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.023 -9.115 4.953 1.00 0.00 C ATOM 2039 CE1 PHE A 127 4.011 -6.360 4.794 1.00 0.00 C ATOM 2040 CE2 PHE A 127 2.965 -8.463 4.348 1.00 0.00 C ATOM 2041 CZ PHE A 127 2.959 -7.084 4.269 1.00 0.00 C ATOM 0 H PHE A 127 7.814 -10.409 7.517 1.00 0.00 H new ATOM 0 HA PHE A 127 6.236 -8.214 8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.160 -8.592 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.313 -10.116 5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.887 -6.446 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.022 -10.193 5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.009 -5.282 4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.144 -9.031 3.937 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.133 -6.573 3.797 1.00 0.00 H new ATOM 2051 N LEU A 128 4.406 -10.938 7.622 1.00 0.00 N ATOM 2052 CA LEU A 128 3.109 -11.540 7.911 1.00 0.00 C ATOM 2053 C LEU A 128 2.858 -11.597 9.415 1.00 0.00 C ATOM 2054 O LEU A 128 1.950 -10.943 9.928 1.00 0.00 O ATOM 2055 CB LEU A 128 3.034 -12.947 7.316 1.00 0.00 C ATOM 2056 CG LEU A 128 3.342 -13.061 5.822 1.00 0.00 C ATOM 2057 CD1 LEU A 128 3.779 -14.475 5.474 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.130 -12.657 4.995 1.00 0.00 C ATOM 0 H LEU A 128 5.038 -11.534 7.087 1.00 0.00 H new ATOM 0 HA LEU A 128 2.338 -10.918 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 128 3.729 -13.587 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 128 2.033 -13.341 7.491 1.00 0.00 H new ATOM 0 HG LEU A 128 4.161 -12.381 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 128 3.994 -14.537 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.675 -14.729 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 128 2.982 -15.174 5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.367 -12.744 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.292 -13.311 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.861 -11.625 5.223 1.00 0.00 H new ATOM 2070 N ASP A 129 3.669 -12.383 10.115 1.00 0.00 N ATOM 2071 CA ASP A 129 3.537 -12.523 11.560 1.00 0.00 C ATOM 2072 C ASP A 129 3.106 -11.206 12.197 1.00 0.00 C ATOM 2073 O ASP A 129 2.147 -11.163 12.967 1.00 0.00 O ATOM 2074 CB ASP A 129 4.859 -12.991 12.171 1.00 0.00 C ATOM 2075 CG ASP A 129 4.675 -13.617 13.539 1.00 0.00 C ATOM 2076 OD1 ASP A 129 4.113 -14.730 13.612 1.00 0.00 O ATOM 2077 OD2 ASP A 129 5.093 -12.994 14.538 1.00 0.00 O ATOM 0 H ASP A 129 4.424 -12.932 9.705 1.00 0.00 H new ATOM 0 HA ASP A 129 2.769 -13.270 11.759 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.328 -13.714 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.539 -12.143 12.251 1.00 0.00 H new ATOM 2082 N GLN A 130 3.822 -10.135 11.872 1.00 0.00 N ATOM 2083 CA GLN A 130 3.514 -8.817 12.414 1.00 0.00 C ATOM 2084 C GLN A 130 2.210 -8.280 11.832 1.00 0.00 C ATOM 2085 O GLN A 130 1.230 -8.087 12.552 1.00 0.00 O ATOM 2086 CB GLN A 130 4.656 -7.842 12.122 1.00 0.00 C ATOM 2087 CG GLN A 130 5.960 -8.208 12.813 1.00 0.00 C ATOM 2088 CD GLN A 130 7.156 -7.490 12.219 1.00 0.00 C ATOM 2089 OE1 GLN A 130 7.029 -6.751 11.242 1.00 0.00 O ATOM 2090 NE2 GLN A 130 8.327 -7.703 12.809 1.00 0.00 N ATOM 0 H GLN A 130 4.619 -10.154 11.236 1.00 0.00 H new ATOM 0 HA GLN A 130 3.396 -8.915 13.493 1.00 0.00 H new ATOM 0 HB2 GLN A 130 4.823 -7.803 11.046 1.00 0.00 H new ATOM 0 HB3 GLN A 130 4.357 -6.841 12.434 1.00 0.00 H new ATOM 0 HG2 GLN A 130 5.885 -7.966 13.873 1.00 0.00 H new ATOM 0 HG3 GLN A 130 6.115 -9.285 12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.386 -8.324 13.616 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.167 -7.246 12.455 1.00 0.00 H new ATOM 2099 N VAL A 131 2.206 -8.039 10.525 1.00 0.00 N ATOM 2100 CA VAL A 131 1.022 -7.525 9.846 1.00 0.00 C ATOM 2101 C VAL A 131 -0.236 -8.250 10.311 1.00 0.00 C ATOM 2102 O VAL A 131 -1.135 -7.645 10.895 1.00 0.00 O ATOM 2103 CB VAL A 131 1.147 -7.665 8.317 1.00 0.00 C ATOM 2104 CG1 VAL A 131 -0.170 -7.318 7.640 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.274 -6.788 7.793 1.00 0.00 C ATOM 0 H VAL A 131 3.009 -8.191 9.915 1.00 0.00 H new ATOM 0 HA VAL A 131 0.944 -6.468 10.101 1.00 0.00 H new ATOM 0 HB VAL A 131 1.386 -8.702 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.063 -7.422 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.950 -7.992 7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.443 -6.290 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.348 -6.899 6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.068 -5.746 8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.214 -7.090 8.254 1.00 0.00 H new ATOM 2115 N THR A 132 -0.294 -9.552 10.047 1.00 0.00 N ATOM 2116 CA THR A 132 -1.442 -10.360 10.437 1.00 0.00 C ATOM 2117 C THR A 132 -1.979 -9.932 11.798 1.00 0.00 C ATOM 2118 O THR A 132 -3.176 -9.696 11.958 1.00 0.00 O ATOM 2119 CB THR A 132 -1.084 -11.857 10.488 1.00 0.00 C ATOM 2120 OG1 THR A 132 -0.061 -12.084 11.463 1.00 0.00 O ATOM 2121 CG2 THR A 132 -0.612 -12.347 9.127 1.00 0.00 C ATOM 0 H THR A 132 0.441 -10.069 9.565 1.00 0.00 H new ATOM 0 HA THR A 132 -2.210 -10.203 9.680 1.00 0.00 H new ATOM 0 HB THR A 132 -1.980 -12.412 10.766 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.807 -11.818 11.094 1.00 0.00 H new ATOM 0 HG21 THR A 132 -0.365 -13.407 9.188 1.00 0.00 H new ATOM 0 HG22 THR A 132 -1.404 -12.201 8.393 1.00 0.00 H new ATOM 0 HG23 THR A 132 0.272 -11.785 8.824 1.00 0.00 H new ATOM 2129 N GLY A 133 -1.086 -9.831 12.777 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.490 -9.430 14.112 1.00 0.00 C ATOM 2131 C GLY A 133 -1.974 -7.995 14.165 1.00 0.00 C ATOM 2132 O GLY A 133 -3.152 -7.738 14.410 1.00 0.00 O ATOM 0 H GLY A 133 -0.089 -10.020 12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.283 -10.091 14.462 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.649 -9.552 14.795 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.062 -7.056 13.935 1.00 0.00 N ATOM 2137 CA PHE A 134 -1.401 -5.638 13.960 1.00 0.00 C ATOM 2138 C PHE A 134 -2.803 -5.404 13.404 1.00 0.00 C ATOM 2139 O PHE A 134 -3.648 -4.792 14.058 1.00 0.00 O ATOM 2140 CB PHE A 134 -0.380 -4.833 13.154 1.00 0.00 C ATOM 2141 CG PHE A 134 -0.701 -3.368 13.072 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -0.958 -2.637 14.221 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -0.746 -2.722 11.847 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -1.253 -1.288 14.149 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -1.041 -1.374 11.770 1.00 0.00 C ATOM 2146 CZ PHE A 134 -1.295 -0.656 12.922 1.00 0.00 C ATOM 0 H PHE A 134 -0.082 -7.252 13.729 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.380 -5.304 14.997 1.00 0.00 H new ATOM 0 HB2 PHE A 134 0.605 -4.956 13.604 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -0.322 -5.241 12.145 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.928 -3.126 15.183 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -0.548 -3.278 10.942 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.450 -0.729 15.052 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -1.073 -0.882 10.809 1.00 0.00 H new ATOM 0 HZ PHE A 134 -1.526 0.397 12.863 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.042 -5.897 12.194 1.00 0.00 N ATOM 2157 CA LEU A 135 -4.341 -5.742 11.548 1.00 0.00 C ATOM 2158 C LEU A 135 -5.463 -6.237 12.456 1.00 0.00 C ATOM 2159 O LEU A 135 -6.505 -5.595 12.579 1.00 0.00 O ATOM 2160 CB LEU A 135 -4.368 -6.505 10.223 1.00 0.00 C ATOM 2161 CG LEU A 135 -3.551 -5.897 9.082 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -3.603 -6.791 7.853 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -4.056 -4.501 8.750 1.00 0.00 C ATOM 0 H LEU A 135 -2.354 -6.407 11.640 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.498 -4.681 11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.007 -7.518 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -5.404 -6.589 9.896 1.00 0.00 H new ATOM 0 HG LEU A 135 -2.513 -5.819 9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.016 -6.342 7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.193 -7.771 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -4.637 -6.902 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.463 -4.084 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.102 -4.555 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.966 -3.863 9.629 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.240 -7.384 13.091 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.240 -7.945 13.981 1.00 0.00 C ATOM 2177 C GLY A 136 -6.395 -7.144 15.258 1.00 0.00 C ATOM 2178 O GLY A 136 -7.504 -6.982 15.767 1.00 0.00 O ATOM 0 H GLY A 136 -4.385 -7.934 13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.199 -7.988 13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -5.966 -8.970 14.230 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.279 -6.642 15.779 1.00 0.00 N ATOM 2183 CA GLU A 137 -5.296 -5.855 17.006 1.00 0.00 C ATOM 2184 C GLU A 137 -6.264 -4.681 16.887 1.00 0.00 C ATOM 2185 O GLU A 137 -7.170 -4.523 17.705 1.00 0.00 O ATOM 2186 CB GLU A 137 -3.892 -5.342 17.329 1.00 0.00 C ATOM 2187 CG GLU A 137 -3.747 -4.814 18.746 1.00 0.00 C ATOM 2188 CD GLU A 137 -3.744 -5.920 19.784 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -4.739 -6.672 19.852 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -2.747 -6.033 20.526 1.00 0.00 O ATOM 0 H GLU A 137 -4.353 -6.767 15.370 1.00 0.00 H new ATOM 0 HA GLU A 137 -5.634 -6.501 17.816 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.176 -6.149 17.176 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.634 -4.549 16.627 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.821 -4.245 18.825 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -4.564 -4.124 18.958 1.00 0.00 H new ATOM 2197 N HIS A 138 -6.064 -3.859 15.861 1.00 0.00 N ATOM 2198 CA HIS A 138 -6.919 -2.699 15.633 1.00 0.00 C ATOM 2199 C HIS A 138 -8.040 -3.034 14.655 1.00 0.00 C ATOM 2200 O HIS A 138 -9.219 -2.981 15.004 1.00 0.00 O ATOM 2201 CB HIS A 138 -6.093 -1.529 15.099 1.00 0.00 C ATOM 2202 CG HIS A 138 -5.147 -0.953 16.108 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -5.287 0.313 16.635 1.00 0.00 N ATOM 2204 CD2 HIS A 138 -4.043 -1.480 16.688 1.00 0.00 C ATOM 2205 CE1 HIS A 138 -4.310 0.541 17.494 1.00 0.00 C ATOM 2206 NE2 HIS A 138 -3.541 -0.532 17.545 1.00 0.00 N ATOM 0 H HIS A 138 -5.318 -3.975 15.175 1.00 0.00 H new ATOM 0 HA HIS A 138 -7.366 -2.414 16.586 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.526 -1.862 14.230 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.768 -0.745 14.757 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -3.633 -2.463 16.510 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -4.164 1.450 18.059 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -2.710 -0.639 18.126 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.665 -3.379 13.427 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.651 -3.717 12.417 1.00 0.00 C ATOM 2217 C GLY A 139 -8.496 -2.889 11.156 1.00 0.00 C ATOM 2218 O GLY A 139 -7.421 -2.355 10.886 1.00 0.00 O ATOM 0 H GLY A 139 -6.696 -3.430 13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.563 -4.774 12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.651 -3.568 12.825 1.00 0.00 H new ATOM 2222 N GLN A 140 -9.572 -2.785 10.383 1.00 0.00 N ATOM 2223 CA GLN A 140 -9.549 -2.019 9.142 1.00 0.00 C ATOM 2224 C GLN A 140 -9.731 -0.530 9.418 1.00 0.00 C ATOM 2225 O GLN A 140 -9.978 -0.125 10.555 1.00 0.00 O ATOM 2226 CB GLN A 140 -10.643 -2.511 8.194 1.00 0.00 C ATOM 2227 CG GLN A 140 -10.476 -2.020 6.765 1.00 0.00 C ATOM 2228 CD GLN A 140 -11.034 -2.992 5.744 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -11.831 -3.871 6.078 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -10.619 -2.840 4.492 1.00 0.00 N ATOM 0 H GLN A 140 -10.470 -3.221 10.594 1.00 0.00 H new ATOM 0 HA GLN A 140 -8.577 -2.167 8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -10.651 -3.601 8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -11.612 -2.184 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -10.975 -1.057 6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -9.418 -1.855 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -9.958 -2.098 4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -10.961 -3.465 3.762 1.00 0.00 H new ATOM 2239 N LEU A 141 -9.607 0.280 8.373 1.00 0.00 N ATOM 2240 CA LEU A 141 -9.758 1.725 8.503 1.00 0.00 C ATOM 2241 C LEU A 141 -11.072 2.076 9.193 1.00 0.00 C ATOM 2242 O LEU A 141 -11.976 1.245 9.287 1.00 0.00 O ATOM 2243 CB LEU A 141 -9.698 2.389 7.126 1.00 0.00 C ATOM 2244 CG LEU A 141 -9.063 3.780 7.079 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -7.558 3.673 6.886 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -9.687 4.614 5.970 1.00 0.00 C ATOM 0 H LEU A 141 -9.402 -0.039 7.426 1.00 0.00 H new ATOM 0 HA LEU A 141 -8.937 2.098 9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -9.143 1.735 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -10.713 2.461 6.735 1.00 0.00 H new ATOM 0 HG LEU A 141 -9.252 4.277 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -7.123 4.672 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -7.124 3.114 7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -7.347 3.156 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -9.223 5.600 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -9.529 4.121 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -10.757 4.720 6.152 1.00 0.00 H new ATOM 2258 N ASP A 142 -11.171 3.311 9.672 1.00 0.00 N ATOM 2259 CA ASP A 142 -12.376 3.773 10.351 1.00 0.00 C ATOM 2260 C ASP A 142 -13.549 3.859 9.378 1.00 0.00 C ATOM 2261 O ASP A 142 -14.704 3.693 9.766 1.00 0.00 O ATOM 2262 CB ASP A 142 -12.132 5.138 10.996 1.00 0.00 C ATOM 2263 CG ASP A 142 -11.041 5.094 12.048 1.00 0.00 C ATOM 2264 OD1 ASP A 142 -11.089 4.196 12.915 1.00 0.00 O ATOM 2265 OD2 ASP A 142 -10.140 5.957 12.006 1.00 0.00 O ATOM 0 H ASP A 142 -10.432 4.010 9.603 1.00 0.00 H new ATOM 0 HA ASP A 142 -12.624 3.051 11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -11.860 5.858 10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -13.057 5.493 11.451 1.00 0.00 H new ATOM 2270 N GLY A 143 -13.242 4.121 8.111 1.00 0.00 N ATOM 2271 CA GLY A 143 -14.280 4.226 7.103 1.00 0.00 C ATOM 2272 C GLY A 143 -15.234 3.047 7.127 1.00 0.00 C ATOM 2273 O GLY A 143 -16.128 2.980 7.972 1.00 0.00 O ATOM 0 H GLY A 143 -12.293 4.262 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -14.842 5.147 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -13.819 4.297 6.118 1.00 0.00 H new ATOM 2277 N LEU A 144 -15.045 2.116 6.199 1.00 0.00 N ATOM 2278 CA LEU A 144 -15.896 0.935 6.116 1.00 0.00 C ATOM 2279 C LEU A 144 -17.370 1.327 6.083 1.00 0.00 C ATOM 2280 O LEU A 144 -18.203 0.705 6.742 1.00 0.00 O ATOM 2281 CB LEU A 144 -15.631 0.006 7.303 1.00 0.00 C ATOM 2282 CG LEU A 144 -14.326 -0.790 7.253 1.00 0.00 C ATOM 2283 CD1 LEU A 144 -14.312 -1.861 8.333 1.00 0.00 C ATOM 2284 CD2 LEU A 144 -14.133 -1.413 5.878 1.00 0.00 C ATOM 0 H LEU A 144 -14.310 2.156 5.493 1.00 0.00 H new ATOM 0 HA LEU A 144 -15.657 0.410 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -15.634 0.604 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -16.460 -0.698 7.380 1.00 0.00 H new ATOM 0 HG LEU A 144 -13.498 -0.106 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -13.376 -2.417 8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -14.402 -1.391 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -15.148 -2.543 8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -13.199 -1.975 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -14.965 -2.084 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -14.096 -0.627 5.124 1.00 0.00 H new ATOM 2296 N SER A 145 -17.684 2.360 5.308 1.00 0.00 N ATOM 2297 CA SER A 145 -19.058 2.836 5.190 1.00 0.00 C ATOM 2298 C SER A 145 -19.735 2.240 3.959 1.00 0.00 C ATOM 2299 O SER A 145 -19.173 2.245 2.864 1.00 0.00 O ATOM 2300 CB SER A 145 -19.085 4.364 5.111 1.00 0.00 C ATOM 2301 OG SER A 145 -20.410 4.856 5.212 1.00 0.00 O ATOM 0 H SER A 145 -17.007 2.883 4.753 1.00 0.00 H new ATOM 0 HA SER A 145 -19.606 2.515 6.076 1.00 0.00 H new ATOM 0 HB2 SER A 145 -18.476 4.784 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 145 -18.643 4.691 4.170 1.00 0.00 H new ATOM 0 HG SER A 145 -20.400 5.835 5.161 1.00 0.00 H new ATOM 2307 N SER A 146 -20.946 1.726 4.149 1.00 0.00 N ATOM 2308 CA SER A 146 -21.700 1.122 3.056 1.00 0.00 C ATOM 2309 C SER A 146 -21.917 2.125 1.927 1.00 0.00 C ATOM 2310 O SER A 146 -22.735 3.038 2.042 1.00 0.00 O ATOM 2311 CB SER A 146 -23.048 0.607 3.563 1.00 0.00 C ATOM 2312 OG SER A 146 -22.913 -0.667 4.169 1.00 0.00 O ATOM 0 H SER A 146 -21.426 1.716 5.049 1.00 0.00 H new ATOM 0 HA SER A 146 -21.122 0.284 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 146 -23.463 1.313 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 146 -23.753 0.546 2.734 1.00 0.00 H new ATOM 0 HG SER A 146 -23.788 -0.973 4.486 1.00 0.00 H new ATOM 2318 N SER A 147 -21.179 1.947 0.836 1.00 0.00 N ATOM 2319 CA SER A 147 -21.287 2.838 -0.313 1.00 0.00 C ATOM 2320 C SER A 147 -22.651 2.697 -0.983 1.00 0.00 C ATOM 2321 O SER A 147 -23.022 1.616 -1.440 1.00 0.00 O ATOM 2322 CB SER A 147 -20.177 2.538 -1.323 1.00 0.00 C ATOM 2323 OG SER A 147 -18.899 2.787 -0.764 1.00 0.00 O ATOM 0 H SER A 147 -20.500 1.194 0.724 1.00 0.00 H new ATOM 0 HA SER A 147 -21.179 3.863 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 147 -20.242 1.498 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 147 -20.314 3.153 -2.213 1.00 0.00 H new ATOM 0 HG SER A 147 -18.207 2.586 -1.428 1.00 0.00 H new ATOM 2329 N SER A 148 -23.392 3.799 -1.038 1.00 0.00 N ATOM 2330 CA SER A 148 -24.717 3.799 -1.648 1.00 0.00 C ATOM 2331 C SER A 148 -24.614 3.780 -3.170 1.00 0.00 C ATOM 2332 O SER A 148 -23.885 4.573 -3.764 1.00 0.00 O ATOM 2333 CB SER A 148 -25.510 5.025 -1.194 1.00 0.00 C ATOM 2334 OG SER A 148 -25.699 5.020 0.211 1.00 0.00 O ATOM 0 H SER A 148 -23.098 4.703 -0.668 1.00 0.00 H new ATOM 0 HA SER A 148 -25.239 2.898 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 148 -24.983 5.932 -1.490 1.00 0.00 H new ATOM 0 HB3 SER A 148 -26.478 5.041 -1.694 1.00 0.00 H new ATOM 0 HG SER A 148 -26.207 5.815 0.476 1.00 0.00 H new ATOM 2340 N GLY A 149 -25.351 2.867 -3.795 1.00 0.00 N ATOM 2341 CA GLY A 149 -25.329 2.761 -5.242 1.00 0.00 C ATOM 2342 C GLY A 149 -24.913 1.382 -5.716 1.00 0.00 C ATOM 2343 O GLY A 149 -23.919 0.818 -5.258 1.00 0.00 O ATOM 0 H GLY A 149 -25.963 2.199 -3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -26.318 2.994 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -24.642 3.504 -5.647 1.00 0.00 H new ATOM 2347 N PRO A 150 -25.686 0.817 -6.656 1.00 0.00 N ATOM 2348 CA PRO A 150 -25.412 -0.512 -7.212 1.00 0.00 C ATOM 2349 C PRO A 150 -24.165 -0.528 -8.088 1.00 0.00 C ATOM 2350 O PRO A 150 -23.683 0.520 -8.518 1.00 0.00 O ATOM 2351 CB PRO A 150 -26.659 -0.809 -8.049 1.00 0.00 C ATOM 2352 CG PRO A 150 -27.201 0.530 -8.410 1.00 0.00 C ATOM 2353 CD PRO A 150 -26.886 1.432 -7.248 1.00 0.00 C ATOM 0 HA PRO A 150 -25.220 -1.249 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -26.410 -1.388 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -27.386 -1.391 -7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -26.744 0.901 -9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -28.276 0.481 -8.586 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -26.695 2.455 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -27.710 1.473 -6.536 1.00 0.00 H new ATOM 2361 N SER A 151 -23.647 -1.724 -8.351 1.00 0.00 N ATOM 2362 CA SER A 151 -22.453 -1.876 -9.174 1.00 0.00 C ATOM 2363 C SER A 151 -22.791 -2.547 -10.502 1.00 0.00 C ATOM 2364 O SER A 151 -23.617 -3.458 -10.557 1.00 0.00 O ATOM 2365 CB SER A 151 -21.396 -2.694 -8.431 1.00 0.00 C ATOM 2366 OG SER A 151 -20.552 -1.856 -7.659 1.00 0.00 O ATOM 0 H SER A 151 -24.036 -2.602 -8.006 1.00 0.00 H new ATOM 0 HA SER A 151 -22.054 -0.882 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 151 -21.884 -3.421 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 151 -20.798 -3.257 -9.147 1.00 0.00 H new ATOM 0 HG SER A 151 -19.886 -2.403 -7.192 1.00 0.00 H new ATOM 2372 N SER A 152 -22.146 -2.090 -11.570 1.00 0.00 N ATOM 2373 CA SER A 152 -22.380 -2.642 -12.899 1.00 0.00 C ATOM 2374 C SER A 152 -21.066 -3.063 -13.551 1.00 0.00 C ATOM 2375 O SER A 152 -19.988 -2.652 -13.124 1.00 0.00 O ATOM 2376 CB SER A 152 -23.095 -1.618 -13.782 1.00 0.00 C ATOM 2377 OG SER A 152 -23.694 -2.242 -14.905 1.00 0.00 O ATOM 0 H SER A 152 -21.457 -1.339 -11.541 1.00 0.00 H new ATOM 0 HA SER A 152 -23.012 -3.523 -12.793 1.00 0.00 H new ATOM 0 HB2 SER A 152 -23.858 -1.101 -13.200 1.00 0.00 H new ATOM 0 HB3 SER A 152 -22.384 -0.863 -14.118 1.00 0.00 H new ATOM 0 HG SER A 152 -24.146 -1.566 -15.452 1.00 0.00 H new ATOM 2383 N GLY A 153 -21.166 -3.887 -14.591 1.00 0.00 N ATOM 2384 CA GLY A 153 -19.979 -4.350 -15.286 1.00 0.00 C ATOM 2385 C GLY A 153 -20.055 -4.116 -16.782 1.00 0.00 C ATOM 2386 O GLY A 153 -21.144 -3.994 -17.343 1.00 0.00 O ATOM 0 H GLY A 153 -22.047 -4.241 -14.964 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -19.104 -3.838 -14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -19.841 -5.414 -15.094 1.00 0.00 H new TER 2390 GLY A 153