USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 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 67 CYS SG : rot -121:sc= -3.65! USER MOD Set 1.2: A 72 MET CE :methyl 167:sc= -0.624 (180deg=-0.929) USER MOD Set 2.1: A 34 SER OG : rot -45:sc= -2.38! USER MOD Set 2.2: A 39 ASN : amide:sc= -5.61! C(o=-8!,f=-6.6!) USER MOD Set 3.1: A 18 HIS : no HD1:sc= -7.33! C(o=-13!,f=-28!) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -143:sc= -5.64! (180deg=-8.29!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.255 (180deg=-1.1) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 119:sc= -0.309 USER MOD Single : A 11 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.4) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 160:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 162:sc= -1.45 USER MOD Single : A 23 SER OG : rot -170:sc= -0.226 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 41 TYR OH : rot -45:sc= -2.18 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.794 K(o=-0.79,f=-3.1!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.15! C(o=-3.1!,f=-10!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -14:sc= -0.0373! USER MOD Single : A 60 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.24) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= -1.59 (180deg=-2.56!) USER MOD Single : A 68 TYR OH : rot 167:sc= -6.45! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -127:sc= -0.12 (180deg=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.343 -19.174 -19.441 1.00 0.00 N ATOM 2 CA MET A 1 -13.842 -20.568 -19.498 1.00 0.00 C ATOM 3 C MET A 1 -12.699 -20.753 -18.507 1.00 0.00 C ATOM 4 O MET A 1 -12.587 -21.782 -17.871 1.00 0.00 O ATOM 5 CB MET A 1 -13.319 -20.879 -20.909 1.00 0.00 C ATOM 6 CG MET A 1 -14.388 -20.501 -21.936 1.00 0.00 C ATOM 7 SD MET A 1 -15.974 -21.368 -21.844 1.00 0.00 S ATOM 8 CE MET A 1 -16.500 -21.060 -23.548 1.00 0.00 C ATOM 0 H1 MET A 1 -15.295 -19.130 -19.856 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.383 -18.860 -18.450 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.703 -18.553 -19.976 1.00 0.00 H new ATOM 0 HA MET A 1 -14.663 -21.240 -19.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.401 -20.323 -21.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.074 -21.938 -20.994 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.582 -19.433 -21.842 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.972 -20.664 -22.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.476 -21.516 -23.716 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.568 -19.986 -23.719 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.774 -21.492 -24.237 1.00 0.00 H new ATOM 20 N LYS A 2 -11.870 -19.752 -18.395 1.00 0.00 N ATOM 21 CA LYS A 2 -10.730 -19.853 -17.451 1.00 0.00 C ATOM 22 C LYS A 2 -9.968 -18.534 -17.378 1.00 0.00 C ATOM 23 O LYS A 2 -8.835 -18.492 -16.942 1.00 0.00 O ATOM 24 CB LYS A 2 -9.777 -20.947 -17.962 1.00 0.00 C ATOM 25 CG LYS A 2 -9.536 -20.743 -19.461 1.00 0.00 C ATOM 26 CD LYS A 2 -8.326 -21.576 -19.897 1.00 0.00 C ATOM 27 CE LYS A 2 -8.640 -23.066 -19.718 1.00 0.00 C ATOM 28 NZ LYS A 2 -7.680 -23.898 -20.496 1.00 0.00 N ATOM 0 H LYS A 2 -11.934 -18.876 -18.914 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.109 -20.092 -16.457 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.832 -20.905 -17.420 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.205 -21.933 -17.781 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.419 -21.040 -20.027 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.361 -19.688 -19.673 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.084 -21.367 -20.939 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.452 -21.304 -19.306 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.587 -23.331 -18.662 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.659 -23.271 -20.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.907 -24.904 -20.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.750 -23.657 -21.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.712 -23.714 -20.163 1.00 0.00 H new ATOM 42 N GLU A 3 -10.607 -17.480 -17.808 1.00 0.00 N ATOM 43 CA GLU A 3 -9.938 -16.154 -17.772 1.00 0.00 C ATOM 44 C GLU A 3 -9.949 -15.576 -16.361 1.00 0.00 C ATOM 45 O GLU A 3 -10.686 -14.655 -16.072 1.00 0.00 O ATOM 46 CB GLU A 3 -10.707 -15.203 -18.702 1.00 0.00 C ATOM 47 CG GLU A 3 -9.892 -13.924 -18.900 1.00 0.00 C ATOM 48 CD GLU A 3 -10.517 -13.095 -20.024 1.00 0.00 C ATOM 49 OE1 GLU A 3 -11.576 -12.545 -19.767 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.902 -13.059 -21.077 1.00 0.00 O ATOM 0 H GLU A 3 -11.557 -17.482 -18.180 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.902 -16.268 -18.092 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.890 -15.684 -19.663 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.681 -14.965 -18.274 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.870 -13.347 -17.976 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.859 -14.172 -19.146 1.00 0.00 H new ATOM 57 N THR A 4 -9.127 -16.127 -15.507 1.00 0.00 N ATOM 58 CA THR A 4 -9.079 -15.618 -14.112 1.00 0.00 C ATOM 59 C THR A 4 -8.360 -14.283 -14.050 1.00 0.00 C ATOM 60 O THR A 4 -7.316 -14.116 -14.640 1.00 0.00 O ATOM 61 CB THR A 4 -8.294 -16.630 -13.246 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.066 -17.812 -13.258 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.265 -16.200 -11.758 1.00 0.00 C ATOM 0 H THR A 4 -8.494 -16.899 -15.715 1.00 0.00 H new ATOM 0 HA THR A 4 -10.099 -15.492 -13.749 1.00 0.00 H new ATOM 0 HB THR A 4 -7.278 -16.723 -13.630 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.618 -18.501 -12.723 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.705 -16.934 -11.178 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.785 -15.225 -11.670 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.284 -16.138 -11.377 1.00 0.00 H new ATOM 71 N ARG A 5 -8.947 -13.340 -13.359 1.00 0.00 N ATOM 72 CA ARG A 5 -8.302 -12.002 -13.245 1.00 0.00 C ATOM 73 C ARG A 5 -7.521 -11.958 -11.963 1.00 0.00 C ATOM 74 O ARG A 5 -7.562 -12.890 -11.186 1.00 0.00 O ATOM 75 CB ARG A 5 -9.381 -10.921 -13.231 1.00 0.00 C ATOM 76 CG ARG A 5 -10.360 -11.187 -14.389 1.00 0.00 C ATOM 77 CD ARG A 5 -9.579 -11.268 -15.710 1.00 0.00 C ATOM 78 NE ARG A 5 -10.518 -10.996 -16.843 1.00 0.00 N ATOM 79 CZ ARG A 5 -10.056 -10.489 -17.959 1.00 0.00 C ATOM 80 NH1 ARG A 5 -8.770 -10.508 -18.178 1.00 0.00 N ATOM 81 NH2 ARG A 5 -10.899 -9.977 -18.816 1.00 0.00 N ATOM 0 H ARG A 5 -9.838 -13.439 -12.873 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.636 -11.829 -14.090 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.911 -10.928 -12.279 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.929 -9.935 -13.337 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.901 -12.117 -14.216 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.103 -10.391 -14.441 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.765 -10.543 -15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.128 -12.254 -15.822 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.512 -11.204 -16.747 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.141 -10.914 -17.485 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.394 -10.117 -19.042 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.898 -9.977 -18.611 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.558 -9.578 -19.690 1.00 0.00 H new ATOM 95 N TYR A 6 -6.832 -10.888 -11.737 1.00 0.00 N ATOM 96 CA TYR A 6 -6.026 -10.793 -10.477 1.00 0.00 C ATOM 97 C TYR A 6 -5.836 -9.338 -10.049 1.00 0.00 C ATOM 98 O TYR A 6 -6.301 -8.438 -10.720 1.00 0.00 O ATOM 99 CB TYR A 6 -4.642 -11.433 -10.775 1.00 0.00 C ATOM 100 CG TYR A 6 -4.811 -12.616 -11.732 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.146 -13.859 -11.244 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.635 -12.456 -13.091 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.299 -14.925 -12.094 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.785 -13.528 -13.944 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.117 -14.771 -13.452 1.00 0.00 C ATOM 106 OH TYR A 6 -5.260 -15.846 -14.304 1.00 0.00 O ATOM 0 H TYR A 6 -6.784 -10.077 -12.354 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.541 -11.307 -9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.975 -10.691 -11.214 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.179 -11.768 -9.847 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.290 -13.996 -10.182 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.378 -11.485 -13.489 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.564 -15.893 -11.696 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.641 -13.393 -15.006 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.980 -15.663 -14.943 1.00 0.00 H new ATOM 116 N CYS A 7 -5.145 -9.110 -8.923 1.00 0.00 N ATOM 117 CA CYS A 7 -4.955 -7.695 -8.498 1.00 0.00 C ATOM 118 C CYS A 7 -4.448 -6.911 -9.662 1.00 0.00 C ATOM 119 O CYS A 7 -3.545 -7.335 -10.355 1.00 0.00 O ATOM 120 CB CYS A 7 -3.957 -7.565 -7.317 1.00 0.00 C ATOM 121 SG CYS A 7 -3.956 -5.954 -6.467 1.00 0.00 S ATOM 0 H CYS A 7 -4.731 -9.821 -8.321 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.916 -7.312 -8.156 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.182 -8.342 -6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.952 -7.760 -7.690 1.00 0.00 H new ATOM 126 N ALA A 8 -5.039 -5.789 -9.872 1.00 0.00 N ATOM 127 CA ALA A 8 -4.621 -4.950 -10.991 1.00 0.00 C ATOM 128 C ALA A 8 -3.090 -4.917 -11.161 1.00 0.00 C ATOM 129 O ALA A 8 -2.614 -4.904 -12.275 1.00 0.00 O ATOM 130 CB ALA A 8 -5.150 -3.531 -10.747 1.00 0.00 C ATOM 0 H ALA A 8 -5.802 -5.416 -9.308 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.030 -5.369 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.850 -2.884 -11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.238 -3.554 -10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.739 -3.145 -9.814 1.00 0.00 H new ATOM 136 N VAL A 9 -2.335 -4.950 -10.062 1.00 0.00 N ATOM 137 CA VAL A 9 -0.831 -4.913 -10.230 1.00 0.00 C ATOM 138 C VAL A 9 -0.026 -5.399 -8.988 1.00 0.00 C ATOM 139 O VAL A 9 0.953 -6.106 -9.125 1.00 0.00 O ATOM 140 CB VAL A 9 -0.424 -3.412 -10.469 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.115 -3.254 -10.332 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.859 -2.954 -11.878 1.00 0.00 C ATOM 0 H VAL A 9 -2.679 -4.999 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.593 -5.586 -11.054 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.924 -2.795 -9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.390 -2.213 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.424 -3.555 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.612 -3.883 -11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.570 -1.914 -12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.373 -3.577 -12.629 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.941 -3.048 -11.973 1.00 0.00 H new ATOM 152 N CYS A 10 -0.455 -5.013 -7.829 1.00 0.00 N ATOM 153 CA CYS A 10 0.285 -5.431 -6.576 1.00 0.00 C ATOM 154 C CYS A 10 0.474 -6.958 -6.361 1.00 0.00 C ATOM 155 O CYS A 10 1.540 -7.472 -6.630 1.00 0.00 O ATOM 156 CB CYS A 10 -0.422 -4.791 -5.335 1.00 0.00 C ATOM 157 SG CYS A 10 -1.048 -5.892 -4.031 1.00 0.00 S ATOM 0 H CYS A 10 -1.278 -4.430 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 10 1.302 -5.061 -6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.281 -4.097 -4.874 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.261 -4.199 -5.700 1.00 0.00 H new ATOM 162 N ASN A 11 -0.545 -7.668 -5.902 1.00 0.00 N ATOM 163 CA ASN A 11 -0.371 -9.137 -5.678 1.00 0.00 C ATOM 164 C ASN A 11 -0.916 -9.985 -6.801 1.00 0.00 C ATOM 165 O ASN A 11 -0.251 -10.205 -7.795 1.00 0.00 O ATOM 166 CB ASN A 11 -1.117 -9.495 -4.374 1.00 0.00 C ATOM 167 CG ASN A 11 -1.016 -11.004 -4.125 1.00 0.00 C ATOM 168 OD1 ASN A 11 0.044 -11.589 -4.216 1.00 0.00 O ATOM 169 ND2 ASN A 11 -2.094 -11.668 -3.810 1.00 0.00 N ATOM 0 H ASN A 11 -1.468 -7.295 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 11 0.697 -9.346 -5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.688 -8.948 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.163 -9.197 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.043 -12.673 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.988 -11.182 -3.732 1.00 0.00 H new ATOM 176 N ASP A 12 -2.120 -10.438 -6.637 1.00 0.00 N ATOM 177 CA ASP A 12 -2.717 -11.274 -7.678 1.00 0.00 C ATOM 178 C ASP A 12 -4.181 -11.552 -7.362 1.00 0.00 C ATOM 179 O ASP A 12 -4.892 -10.664 -6.936 1.00 0.00 O ATOM 180 CB ASP A 12 -1.954 -12.617 -7.734 1.00 0.00 C ATOM 181 CG ASP A 12 -2.245 -13.307 -9.068 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.020 -12.655 -10.075 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.675 -14.446 -9.006 1.00 0.00 O ATOM 0 H ASP A 12 -2.709 -10.260 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.653 -10.754 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.883 -12.445 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.259 -13.257 -6.906 1.00 0.00 H new ATOM 188 N TYR A 13 -4.602 -12.807 -7.563 1.00 0.00 N ATOM 189 CA TYR A 13 -6.034 -13.184 -7.285 1.00 0.00 C ATOM 190 C TYR A 13 -6.673 -12.279 -6.248 1.00 0.00 C ATOM 191 O TYR A 13 -6.573 -12.501 -5.059 1.00 0.00 O ATOM 192 CB TYR A 13 -6.120 -14.605 -6.767 1.00 0.00 C ATOM 193 CG TYR A 13 -5.304 -15.576 -7.648 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.874 -16.202 -8.757 1.00 0.00 C ATOM 195 CD2 TYR A 13 -4.013 -15.911 -7.290 1.00 0.00 C ATOM 196 CE1 TYR A 13 -5.161 -17.145 -9.469 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.305 -16.851 -8.011 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.872 -17.474 -9.103 1.00 0.00 C ATOM 199 OH TYR A 13 -3.159 -18.415 -9.821 1.00 0.00 O ATOM 0 H TYR A 13 -4.014 -13.568 -7.903 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.566 -13.081 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.751 -14.643 -5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.162 -14.922 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.879 -15.947 -9.060 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.553 -15.433 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.616 -17.630 -10.320 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.296 -17.101 -7.717 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.269 -18.523 -9.425 1.00 0.00 H new ATOM 209 N ALA A 14 -7.307 -11.287 -6.736 1.00 0.00 N ATOM 210 CA ALA A 14 -7.980 -10.319 -5.842 1.00 0.00 C ATOM 211 C ALA A 14 -9.109 -10.989 -5.070 1.00 0.00 C ATOM 212 O ALA A 14 -9.836 -11.802 -5.604 1.00 0.00 O ATOM 213 CB ALA A 14 -8.557 -9.177 -6.712 1.00 0.00 C ATOM 0 H ALA A 14 -7.397 -11.090 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.260 -9.930 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.059 -8.450 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.747 -8.687 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.272 -9.588 -7.424 1.00 0.00 H new ATOM 219 N SER A 15 -9.233 -10.631 -3.824 1.00 0.00 N ATOM 220 CA SER A 15 -10.303 -11.232 -2.996 1.00 0.00 C ATOM 221 C SER A 15 -11.671 -10.949 -3.595 1.00 0.00 C ATOM 222 O SER A 15 -12.636 -11.624 -3.294 1.00 0.00 O ATOM 223 CB SER A 15 -10.240 -10.607 -1.594 1.00 0.00 C ATOM 224 OG SER A 15 -10.761 -9.297 -1.773 1.00 0.00 O ATOM 0 H SER A 15 -8.641 -9.951 -3.348 1.00 0.00 H new ATOM 0 HA SER A 15 -10.156 -12.311 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.832 -11.176 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.218 -10.581 -1.215 1.00 0.00 H new ATOM 0 HG SER A 15 -11.056 -8.941 -0.909 1.00 0.00 H new ATOM 230 N GLY A 16 -11.734 -9.952 -4.439 1.00 0.00 N ATOM 231 CA GLY A 16 -13.042 -9.609 -5.072 1.00 0.00 C ATOM 232 C GLY A 16 -13.049 -8.153 -5.539 1.00 0.00 C ATOM 233 O GLY A 16 -12.414 -7.303 -4.946 1.00 0.00 O ATOM 0 H GLY A 16 -10.946 -9.366 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.226 -10.269 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.851 -9.772 -4.360 1.00 0.00 H new ATOM 237 N TYR A 17 -13.767 -7.900 -6.600 1.00 0.00 N ATOM 238 CA TYR A 17 -13.836 -6.511 -7.128 1.00 0.00 C ATOM 239 C TYR A 17 -14.123 -5.530 -5.986 1.00 0.00 C ATOM 240 O TYR A 17 -14.334 -5.929 -4.859 1.00 0.00 O ATOM 241 CB TYR A 17 -15.004 -6.457 -8.172 1.00 0.00 C ATOM 242 CG TYR A 17 -14.474 -6.112 -9.575 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.346 -4.800 -9.976 1.00 0.00 C ATOM 244 CD2 TYR A 17 -14.201 -7.109 -10.481 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.959 -4.499 -11.268 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.823 -6.798 -11.770 1.00 0.00 C ATOM 247 CZ TYR A 17 -13.697 -5.495 -12.168 1.00 0.00 C ATOM 248 OH TYR A 17 -13.312 -5.190 -13.458 1.00 0.00 O ATOM 0 H TYR A 17 -14.306 -8.592 -7.120 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.889 -6.234 -7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.517 -7.418 -8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -15.738 -5.713 -7.864 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.549 -4.002 -9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.283 -8.143 -10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.862 -3.467 -11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.624 -7.592 -12.474 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.166 -6.019 -13.960 1.00 0.00 H new ATOM 258 N HIS A 18 -14.132 -4.268 -6.306 1.00 0.00 N ATOM 259 CA HIS A 18 -14.403 -3.254 -5.256 1.00 0.00 C ATOM 260 C HIS A 18 -14.846 -1.935 -5.876 1.00 0.00 C ATOM 261 O HIS A 18 -16.012 -1.740 -6.153 1.00 0.00 O ATOM 262 CB HIS A 18 -13.115 -3.021 -4.458 1.00 0.00 C ATOM 263 CG HIS A 18 -12.872 -4.210 -3.524 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.841 -4.917 -3.516 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.685 -4.737 -2.538 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.907 -5.829 -2.639 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.054 -5.796 -1.958 1.00 0.00 N ATOM 0 H HIS A 18 -13.965 -3.898 -7.242 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.201 -3.619 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.271 -2.899 -5.137 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.194 -2.101 -3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.664 -4.368 -2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.124 -6.551 -2.463 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.374 -6.403 -1.203 1.00 0.00 H new ATOM 275 N TYR A 19 -13.908 -1.045 -6.084 1.00 0.00 N ATOM 276 CA TYR A 19 -14.276 0.259 -6.684 1.00 0.00 C ATOM 277 C TYR A 19 -14.519 0.084 -8.165 1.00 0.00 C ATOM 278 O TYR A 19 -15.537 0.493 -8.687 1.00 0.00 O ATOM 279 CB TYR A 19 -13.099 1.249 -6.504 1.00 0.00 C ATOM 280 CG TYR A 19 -12.983 1.681 -5.028 1.00 0.00 C ATOM 281 CD1 TYR A 19 -14.086 2.153 -4.317 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.779 1.533 -4.362 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.976 2.448 -2.974 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.683 1.832 -3.018 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.777 2.290 -2.316 1.00 0.00 C ATOM 286 OH TYR A 19 -12.673 2.580 -0.974 1.00 0.00 O ATOM 0 H TYR A 19 -12.919 -1.168 -5.866 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.175 0.637 -6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.169 0.781 -6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.252 2.124 -7.135 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.032 2.288 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.909 1.181 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.839 2.807 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.738 1.705 -2.510 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.870 2.153 -0.608 1.00 0.00 H new ATOM 296 N GLY A 20 -13.577 -0.529 -8.820 1.00 0.00 N ATOM 297 CA GLY A 20 -13.732 -0.744 -10.274 1.00 0.00 C ATOM 298 C GLY A 20 -12.602 -1.576 -10.822 1.00 0.00 C ATOM 299 O GLY A 20 -12.125 -1.326 -11.905 1.00 0.00 O ATOM 0 H GLY A 20 -12.714 -0.887 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.682 -1.240 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.761 0.218 -10.786 1.00 0.00 H new ATOM 303 N VAL A 21 -12.215 -2.592 -10.079 1.00 0.00 N ATOM 304 CA VAL A 21 -11.113 -3.456 -10.566 1.00 0.00 C ATOM 305 C VAL A 21 -10.960 -4.717 -9.731 1.00 0.00 C ATOM 306 O VAL A 21 -11.270 -4.732 -8.558 1.00 0.00 O ATOM 307 CB VAL A 21 -9.726 -2.693 -10.467 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.542 -1.729 -11.649 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.640 -1.905 -9.126 1.00 0.00 C ATOM 0 H VAL A 21 -12.612 -2.848 -9.175 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.367 -3.712 -11.595 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.929 -3.436 -10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.583 -1.219 -11.557 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.566 -2.290 -12.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.346 -0.993 -11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.683 -1.386 -9.070 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.451 -1.178 -9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.725 -2.599 -8.290 1.00 0.00 H new ATOM 319 N TRP A 22 -10.486 -5.767 -10.369 1.00 0.00 N ATOM 320 CA TRP A 22 -10.292 -7.037 -9.619 1.00 0.00 C ATOM 321 C TRP A 22 -9.125 -6.763 -8.690 1.00 0.00 C ATOM 322 O TRP A 22 -8.045 -7.230 -8.933 1.00 0.00 O ATOM 323 CB TRP A 22 -9.841 -8.160 -10.599 1.00 0.00 C ATOM 324 CG TRP A 22 -11.033 -8.841 -11.241 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.358 -8.700 -12.504 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.816 -9.702 -10.641 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.403 -9.538 -12.661 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.757 -10.215 -11.514 1.00 0.00 C ATOM 329 CE3 TRP A 22 -11.791 -10.127 -9.329 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -13.669 -11.151 -11.075 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -12.705 -11.065 -8.892 1.00 0.00 C ATOM 332 CH2 TRP A 22 -13.643 -11.576 -9.764 1.00 0.00 C ATOM 0 H TRP A 22 -10.232 -5.793 -11.357 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.204 -7.345 -9.107 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.202 -7.735 -11.373 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.244 -8.897 -10.061 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.897 -8.063 -13.244 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.888 -9.660 -13.550 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.058 -9.727 -8.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.404 -11.551 -11.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -12.685 -11.399 -7.865 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -14.357 -12.309 -9.420 1.00 0.00 H new ATOM 343 N SER A 23 -9.360 -6.013 -7.643 1.00 0.00 N ATOM 344 CA SER A 23 -8.250 -5.686 -6.687 1.00 0.00 C ATOM 345 C SER A 23 -8.376 -6.389 -5.350 1.00 0.00 C ATOM 346 O SER A 23 -9.458 -6.579 -4.830 1.00 0.00 O ATOM 347 CB SER A 23 -8.295 -4.171 -6.487 1.00 0.00 C ATOM 348 OG SER A 23 -7.644 -3.664 -7.643 1.00 0.00 O ATOM 0 H SER A 23 -10.268 -5.613 -7.406 1.00 0.00 H new ATOM 0 HA SER A 23 -7.304 -6.030 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.319 -3.807 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.782 -3.871 -5.573 1.00 0.00 H new ATOM 0 HG SER A 23 -7.483 -2.704 -7.533 1.00 0.00 H new ATOM 354 N CYS A 24 -7.237 -6.765 -4.822 1.00 0.00 N ATOM 355 CA CYS A 24 -7.215 -7.464 -3.516 1.00 0.00 C ATOM 356 C CYS A 24 -7.668 -6.546 -2.386 1.00 0.00 C ATOM 357 O CYS A 24 -7.695 -5.340 -2.533 1.00 0.00 O ATOM 358 CB CYS A 24 -5.766 -7.917 -3.250 1.00 0.00 C ATOM 359 SG CYS A 24 -4.589 -6.665 -2.661 1.00 0.00 S ATOM 0 H CYS A 24 -6.322 -6.614 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.898 -8.312 -3.551 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.795 -8.723 -2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.372 -8.341 -4.173 1.00 0.00 H new ATOM 364 N GLU A 25 -8.019 -7.138 -1.272 1.00 0.00 N ATOM 365 CA GLU A 25 -8.473 -6.321 -0.119 1.00 0.00 C ATOM 366 C GLU A 25 -7.328 -5.487 0.441 1.00 0.00 C ATOM 367 O GLU A 25 -7.505 -4.335 0.781 1.00 0.00 O ATOM 368 CB GLU A 25 -8.988 -7.278 0.980 1.00 0.00 C ATOM 369 CG GLU A 25 -9.904 -6.509 1.939 1.00 0.00 C ATOM 370 CD GLU A 25 -9.082 -5.482 2.718 1.00 0.00 C ATOM 371 OE1 GLU A 25 -7.954 -5.822 3.036 1.00 0.00 O ATOM 372 OE2 GLU A 25 -9.628 -4.417 2.950 1.00 0.00 O ATOM 0 H GLU A 25 -8.009 -8.146 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.261 -5.644 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.531 -8.108 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.148 -7.706 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.695 -6.009 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.389 -7.200 2.628 1.00 0.00 H new ATOM 379 N GLY A 26 -6.171 -6.085 0.528 1.00 0.00 N ATOM 380 CA GLY A 26 -4.997 -5.335 1.067 1.00 0.00 C ATOM 381 C GLY A 26 -4.911 -3.956 0.416 1.00 0.00 C ATOM 382 O GLY A 26 -4.800 -2.952 1.092 1.00 0.00 O ATOM 0 H GLY A 26 -5.987 -7.050 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.088 -5.230 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.080 -5.893 0.877 1.00 0.00 H new ATOM 386 N CYS A 27 -4.963 -3.935 -0.887 1.00 0.00 N ATOM 387 CA CYS A 27 -4.888 -2.638 -1.595 1.00 0.00 C ATOM 388 C CYS A 27 -6.045 -1.757 -1.189 1.00 0.00 C ATOM 389 O CYS A 27 -5.863 -0.707 -0.648 1.00 0.00 O ATOM 390 CB CYS A 27 -4.976 -2.905 -3.120 1.00 0.00 C ATOM 391 SG CYS A 27 -3.457 -3.342 -3.972 1.00 0.00 S ATOM 0 H CYS A 27 -5.054 -4.757 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.952 -2.140 -1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.695 -3.708 -3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.384 -2.013 -3.595 1.00 0.00 H new ATOM 396 N LYS A 28 -7.220 -2.211 -1.465 1.00 0.00 N ATOM 397 CA LYS A 28 -8.412 -1.413 -1.105 1.00 0.00 C ATOM 398 C LYS A 28 -8.294 -0.888 0.324 1.00 0.00 C ATOM 399 O LYS A 28 -8.739 0.193 0.619 1.00 0.00 O ATOM 400 CB LYS A 28 -9.667 -2.338 -1.268 1.00 0.00 C ATOM 401 CG LYS A 28 -10.780 -1.631 -2.092 1.00 0.00 C ATOM 402 CD LYS A 28 -10.286 -1.189 -3.516 1.00 0.00 C ATOM 403 CE LYS A 28 -9.273 -2.184 -4.110 1.00 0.00 C ATOM 404 NZ LYS A 28 -9.801 -3.567 -4.072 1.00 0.00 N ATOM 0 H LYS A 28 -7.411 -3.101 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.503 -0.544 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.377 -3.265 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.054 -2.608 -0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.631 -2.304 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.132 -0.756 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.142 -1.100 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.829 -0.202 -3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.046 -1.906 -5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.338 -2.133 -3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.027 -4.228 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.530 -3.640 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.217 -3.805 -4.995 1.00 0.00 H new ATOM 418 N ALA A 29 -7.690 -1.655 1.180 1.00 0.00 N ATOM 419 CA ALA A 29 -7.549 -1.185 2.573 1.00 0.00 C ATOM 420 C ALA A 29 -6.535 -0.061 2.614 1.00 0.00 C ATOM 421 O ALA A 29 -6.839 1.042 3.018 1.00 0.00 O ATOM 422 CB ALA A 29 -7.060 -2.353 3.447 1.00 0.00 C ATOM 0 H ALA A 29 -7.294 -2.573 0.978 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.507 -0.825 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.953 -2.016 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.784 -3.167 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.097 -2.705 3.078 1.00 0.00 H new ATOM 428 N PHE A 30 -5.344 -0.363 2.187 1.00 0.00 N ATOM 429 CA PHE A 30 -4.282 0.670 2.185 1.00 0.00 C ATOM 430 C PHE A 30 -4.764 1.870 1.427 1.00 0.00 C ATOM 431 O PHE A 30 -4.592 2.996 1.825 1.00 0.00 O ATOM 432 CB PHE A 30 -3.063 0.090 1.429 1.00 0.00 C ATOM 433 CG PHE A 30 -2.078 1.226 1.081 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.238 1.963 -0.092 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.052 1.555 1.943 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.384 3.011 -0.384 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.203 2.601 1.650 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.368 3.328 0.487 1.00 0.00 C ATOM 0 H PHE A 30 -5.062 -1.280 1.840 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.024 0.949 3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.565 -0.660 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.392 -0.411 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.035 1.714 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.913 0.990 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.515 3.579 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.595 2.853 2.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.301 4.145 0.262 1.00 0.00 H new ATOM 448 N PHE A 31 -5.335 1.588 0.343 1.00 0.00 N ATOM 449 CA PHE A 31 -5.856 2.635 -0.507 1.00 0.00 C ATOM 450 C PHE A 31 -6.890 3.463 0.231 1.00 0.00 C ATOM 451 O PHE A 31 -6.684 4.633 0.467 1.00 0.00 O ATOM 452 CB PHE A 31 -6.486 1.902 -1.706 1.00 0.00 C ATOM 453 CG PHE A 31 -6.945 2.865 -2.825 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.191 3.966 -3.210 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.196 2.695 -3.380 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.705 4.872 -4.094 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.706 3.603 -4.267 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.957 4.697 -4.625 1.00 0.00 C ATOM 0 H PHE A 31 -5.471 0.640 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.079 3.331 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.763 1.196 -2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.340 1.320 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.198 4.106 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.783 1.830 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.120 5.734 -4.377 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.692 3.460 -4.683 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.354 5.419 -5.324 1.00 0.00 H new ATOM 468 N LYS A 32 -7.951 2.848 0.645 1.00 0.00 N ATOM 469 CA LYS A 32 -8.968 3.637 1.362 1.00 0.00 C ATOM 470 C LYS A 32 -8.381 4.226 2.621 1.00 0.00 C ATOM 471 O LYS A 32 -9.006 5.027 3.285 1.00 0.00 O ATOM 472 CB LYS A 32 -10.183 2.726 1.714 1.00 0.00 C ATOM 473 CG LYS A 32 -11.480 3.538 1.609 1.00 0.00 C ATOM 474 CD LYS A 32 -12.670 2.633 1.933 1.00 0.00 C ATOM 475 CE LYS A 32 -13.968 3.403 1.685 1.00 0.00 C ATOM 476 NZ LYS A 32 -15.132 2.656 2.239 1.00 0.00 N ATOM 0 H LYS A 32 -8.154 1.856 0.521 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.303 4.452 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.220 1.873 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.072 2.327 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.451 4.382 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.584 3.950 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.640 1.737 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.620 2.304 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.907 4.388 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.105 3.561 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.005 3.193 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.198 1.726 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.006 2.527 3.263 1.00 0.00 H new ATOM 490 N ARG A 33 -7.189 3.823 2.933 1.00 0.00 N ATOM 491 CA ARG A 33 -6.560 4.362 4.149 1.00 0.00 C ATOM 492 C ARG A 33 -6.144 5.807 3.933 1.00 0.00 C ATOM 493 O ARG A 33 -5.969 6.543 4.884 1.00 0.00 O ATOM 494 CB ARG A 33 -5.297 3.528 4.481 1.00 0.00 C ATOM 495 CG ARG A 33 -4.999 3.633 5.982 1.00 0.00 C ATOM 496 CD ARG A 33 -3.633 3.001 6.270 1.00 0.00 C ATOM 497 NE ARG A 33 -3.243 3.311 7.674 1.00 0.00 N ATOM 498 CZ ARG A 33 -3.849 2.705 8.658 1.00 0.00 C ATOM 499 NH1 ARG A 33 -5.097 2.995 8.903 1.00 0.00 N ATOM 500 NH2 ARG A 33 -3.187 1.829 9.364 1.00 0.00 N ATOM 0 H ARG A 33 -6.632 3.152 2.404 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.278 4.311 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.452 2.486 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.446 3.890 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.003 4.678 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.775 3.127 6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.678 1.922 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.885 3.388 5.577 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.508 3.992 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.582 3.685 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.588 2.532 9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.212 1.628 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.645 1.346 10.137 1.00 0.00 H new ATOM 514 N SER A 34 -5.982 6.210 2.673 1.00 0.00 N ATOM 515 CA SER A 34 -5.566 7.639 2.436 1.00 0.00 C ATOM 516 C SER A 34 -6.139 8.290 1.159 1.00 0.00 C ATOM 517 O SER A 34 -6.427 9.470 1.175 1.00 0.00 O ATOM 518 CB SER A 34 -4.031 7.641 2.322 1.00 0.00 C ATOM 519 OG SER A 34 -3.651 8.925 2.781 1.00 0.00 O ATOM 0 H SER A 34 -6.114 5.636 1.840 1.00 0.00 H new ATOM 0 HA SER A 34 -5.957 8.226 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.585 6.853 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.708 7.473 1.295 1.00 0.00 H new ATOM 0 HG SER A 34 -4.240 9.601 2.386 1.00 0.00 H new ATOM 525 N ILE A 35 -6.333 7.523 0.098 1.00 0.00 N ATOM 526 CA ILE A 35 -6.887 8.139 -1.177 1.00 0.00 C ATOM 527 C ILE A 35 -6.356 9.579 -1.375 1.00 0.00 C ATOM 528 O ILE A 35 -5.335 9.939 -0.829 1.00 0.00 O ATOM 529 CB ILE A 35 -8.435 8.132 -1.121 1.00 0.00 C ATOM 530 CG1 ILE A 35 -8.893 6.747 -0.680 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.038 8.435 -2.557 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.371 5.685 -1.683 1.00 0.00 C ATOM 0 H ILE A 35 -6.139 6.523 0.054 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.554 7.545 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.776 8.896 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.520 6.531 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.981 6.711 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.127 8.427 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.698 9.414 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.704 7.672 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.699 4.694 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.765 5.898 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.282 5.715 -1.711 1.00 0.00 H new ATOM 544 N GLN A 36 -7.041 10.346 -2.179 1.00 0.00 N ATOM 545 CA GLN A 36 -6.614 11.743 -2.439 1.00 0.00 C ATOM 546 C GLN A 36 -5.289 11.761 -3.166 1.00 0.00 C ATOM 547 O GLN A 36 -4.401 10.984 -2.880 1.00 0.00 O ATOM 548 CB GLN A 36 -6.475 12.519 -1.127 1.00 0.00 C ATOM 549 CG GLN A 36 -7.692 12.244 -0.241 1.00 0.00 C ATOM 550 CD GLN A 36 -7.739 13.274 0.890 1.00 0.00 C ATOM 551 OE1 GLN A 36 -8.045 14.431 0.679 1.00 0.00 O ATOM 552 NE2 GLN A 36 -7.441 12.896 2.104 1.00 0.00 N ATOM 0 H GLN A 36 -7.887 10.057 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.376 12.217 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.562 12.222 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.394 13.587 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.606 12.295 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.635 11.237 0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.183 11.926 2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.466 13.570 2.869 1.00 0.00 H new ATOM 561 N GLY A 37 -5.174 12.667 -4.071 1.00 0.00 N ATOM 562 CA GLY A 37 -3.912 12.771 -4.852 1.00 0.00 C ATOM 563 C GLY A 37 -2.808 13.360 -4.010 1.00 0.00 C ATOM 564 O GLY A 37 -1.819 12.715 -3.730 1.00 0.00 O ATOM 0 H GLY A 37 -5.895 13.347 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.617 11.784 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.074 13.392 -5.733 1.00 0.00 H new ATOM 568 N HIS A 38 -2.993 14.584 -3.647 1.00 0.00 N ATOM 569 CA HIS A 38 -1.972 15.266 -2.817 1.00 0.00 C ATOM 570 C HIS A 38 -1.997 14.758 -1.381 1.00 0.00 C ATOM 571 O HIS A 38 -2.182 15.517 -0.451 1.00 0.00 O ATOM 572 CB HIS A 38 -2.273 16.772 -2.817 1.00 0.00 C ATOM 573 CG HIS A 38 -2.066 17.327 -4.227 1.00 0.00 C ATOM 574 ND1 HIS A 38 -1.083 18.008 -4.590 1.00 0.00 N ATOM 575 CD2 HIS A 38 -2.865 17.209 -5.349 1.00 0.00 C ATOM 576 CE1 HIS A 38 -1.169 18.334 -5.812 1.00 0.00 C ATOM 577 NE2 HIS A 38 -2.279 17.868 -6.386 1.00 0.00 N ATOM 0 H HIS A 38 -3.808 15.148 -3.887 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.986 15.062 -3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.297 16.950 -2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.620 17.285 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.805 16.678 -5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.427 18.923 -6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.603 17.977 -7.347 1.00 0.00 H new ATOM 585 N ASN A 39 -1.810 13.474 -1.232 1.00 0.00 N ATOM 586 CA ASN A 39 -1.812 12.869 0.126 1.00 0.00 C ATOM 587 C ASN A 39 -0.389 12.755 0.640 1.00 0.00 C ATOM 588 O ASN A 39 0.554 12.805 -0.125 1.00 0.00 O ATOM 589 CB ASN A 39 -2.437 11.485 0.036 1.00 0.00 C ATOM 590 CG ASN A 39 -2.758 10.991 1.448 1.00 0.00 C ATOM 591 OD1 ASN A 39 -3.876 11.099 1.912 1.00 0.00 O ATOM 592 ND2 ASN A 39 -1.810 10.453 2.164 1.00 0.00 N ATOM 0 H ASN A 39 -1.656 12.818 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.384 13.494 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.345 11.520 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.753 10.795 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.008 10.125 3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.870 10.360 1.779 1.00 0.00 H new ATOM 599 N ASP A 40 -0.253 12.606 1.917 1.00 0.00 N ATOM 600 CA ASP A 40 1.115 12.490 2.489 1.00 0.00 C ATOM 601 C ASP A 40 1.702 11.135 2.173 1.00 0.00 C ATOM 602 O ASP A 40 1.077 10.122 2.408 1.00 0.00 O ATOM 603 CB ASP A 40 1.030 12.648 4.009 1.00 0.00 C ATOM 604 CG ASP A 40 0.386 13.995 4.343 1.00 0.00 C ATOM 605 OD1 ASP A 40 0.355 14.817 3.442 1.00 0.00 O ATOM 606 OD2 ASP A 40 -0.039 14.125 5.478 1.00 0.00 O ATOM 0 H ASP A 40 -1.018 12.559 2.590 1.00 0.00 H new ATOM 0 HA ASP A 40 1.749 13.264 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.444 11.835 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.026 12.589 4.448 1.00 0.00 H new ATOM 611 N TYR A 41 2.905 11.123 1.665 1.00 0.00 N ATOM 612 CA TYR A 41 3.517 9.816 1.337 1.00 0.00 C ATOM 613 C TYR A 41 5.010 9.910 1.086 1.00 0.00 C ATOM 614 O TYR A 41 5.610 10.966 1.136 1.00 0.00 O ATOM 615 CB TYR A 41 2.841 9.287 0.040 1.00 0.00 C ATOM 616 CG TYR A 41 1.616 8.468 0.416 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.767 7.269 1.063 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.353 8.962 0.198 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.664 6.572 1.507 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.756 8.283 0.642 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.609 7.072 1.301 1.00 0.00 C ATOM 622 OH TYR A 41 -1.708 6.368 1.731 1.00 0.00 O ATOM 0 H TYR A 41 3.475 11.945 1.468 1.00 0.00 H new ATOM 0 HA TYR A 41 3.368 9.153 2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.554 10.120 -0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.543 8.675 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.756 6.868 1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.230 9.896 -0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.794 5.630 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.742 8.692 0.478 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.608 5.424 1.487 1.00 0.00 H new ATOM 632 N MET A 42 5.566 8.759 0.818 1.00 0.00 N ATOM 633 CA MET A 42 7.014 8.650 0.543 1.00 0.00 C ATOM 634 C MET A 42 7.328 8.950 -0.914 1.00 0.00 C ATOM 635 O MET A 42 6.587 9.626 -1.598 1.00 0.00 O ATOM 636 CB MET A 42 7.477 7.188 0.899 1.00 0.00 C ATOM 637 CG MET A 42 8.826 7.233 1.640 1.00 0.00 C ATOM 638 SD MET A 42 10.060 8.418 1.045 1.00 0.00 S ATOM 639 CE MET A 42 11.340 8.045 2.269 1.00 0.00 C ATOM 0 H MET A 42 5.059 7.875 0.779 1.00 0.00 H new ATOM 0 HA MET A 42 7.547 9.381 1.150 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.726 6.700 1.521 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.571 6.595 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.628 7.451 2.689 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.267 6.237 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.211 8.674 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.954 8.239 3.270 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.626 6.996 2.188 1.00 0.00 H new ATOM 649 N CYS A 43 8.423 8.414 -1.335 1.00 0.00 N ATOM 650 CA CYS A 43 8.899 8.605 -2.748 1.00 0.00 C ATOM 651 C CYS A 43 8.482 9.987 -3.310 1.00 0.00 C ATOM 652 O CYS A 43 7.683 10.074 -4.221 1.00 0.00 O ATOM 653 CB CYS A 43 8.297 7.482 -3.627 1.00 0.00 C ATOM 654 SG CYS A 43 8.576 5.770 -3.068 1.00 0.00 S ATOM 0 H CYS A 43 9.034 7.835 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 43 9.988 8.561 -2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.222 7.646 -3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.703 7.582 -4.633 1.00 0.00 H new ATOM 659 N PRO A 44 9.053 11.057 -2.730 1.00 0.00 N ATOM 660 CA PRO A 44 8.747 12.430 -3.164 1.00 0.00 C ATOM 661 C PRO A 44 9.346 12.727 -4.550 1.00 0.00 C ATOM 662 O PRO A 44 9.723 13.843 -4.843 1.00 0.00 O ATOM 663 CB PRO A 44 9.408 13.346 -2.080 1.00 0.00 C ATOM 664 CG PRO A 44 10.280 12.419 -1.164 1.00 0.00 C ATOM 665 CD PRO A 44 10.012 10.955 -1.605 1.00 0.00 C ATOM 0 HA PRO A 44 7.673 12.593 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.023 14.114 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.647 13.861 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.337 12.664 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.019 12.559 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.933 10.463 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.597 10.367 -0.786 1.00 0.00 H new ATOM 673 N ALA A 45 9.412 11.720 -5.369 1.00 0.00 N ATOM 674 CA ALA A 45 9.974 11.906 -6.729 1.00 0.00 C ATOM 675 C ALA A 45 9.326 10.958 -7.624 1.00 0.00 C ATOM 676 O ALA A 45 9.273 11.146 -8.824 1.00 0.00 O ATOM 677 CB ALA A 45 11.463 11.602 -6.684 1.00 0.00 C ATOM 0 H ALA A 45 9.100 10.773 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 45 9.812 12.927 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.892 11.734 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.952 12.280 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.615 10.573 -6.358 1.00 0.00 H new ATOM 683 N THR A 46 8.857 9.928 -7.039 1.00 0.00 N ATOM 684 CA THR A 46 8.183 8.914 -7.819 1.00 0.00 C ATOM 685 C THR A 46 9.065 8.446 -8.982 1.00 0.00 C ATOM 686 O THR A 46 8.688 8.518 -10.133 1.00 0.00 O ATOM 687 CB THR A 46 6.877 9.560 -8.343 1.00 0.00 C ATOM 688 OG1 THR A 46 5.969 9.461 -7.263 1.00 0.00 O ATOM 689 CG2 THR A 46 6.215 8.730 -9.469 1.00 0.00 C ATOM 0 H THR A 46 8.914 9.745 -6.037 1.00 0.00 H new ATOM 0 HA THR A 46 7.968 8.033 -7.215 1.00 0.00 H new ATOM 0 HB THR A 46 7.099 10.562 -8.710 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.110 9.855 -7.521 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.303 9.228 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.905 8.640 -10.308 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.970 7.737 -9.093 1.00 0.00 H new ATOM 697 N ASN A 47 10.243 7.986 -8.650 1.00 0.00 N ATOM 698 CA ASN A 47 11.161 7.510 -9.712 1.00 0.00 C ATOM 699 C ASN A 47 10.742 6.127 -10.173 1.00 0.00 C ATOM 700 O ASN A 47 11.532 5.379 -10.715 1.00 0.00 O ATOM 701 CB ASN A 47 12.582 7.433 -9.132 1.00 0.00 C ATOM 702 CG ASN A 47 13.575 7.191 -10.271 1.00 0.00 C ATOM 703 OD1 ASN A 47 13.228 7.245 -11.434 1.00 0.00 O ATOM 704 ND2 ASN A 47 14.819 6.921 -9.981 1.00 0.00 N ATOM 0 H ASN A 47 10.602 7.922 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 47 11.130 8.196 -10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.826 8.359 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.646 6.628 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.493 6.757 -10.729 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.117 6.874 -9.007 1.00 0.00 H new ATOM 711 N GLN A 48 9.498 5.812 -9.941 1.00 0.00 N ATOM 712 CA GLN A 48 8.985 4.489 -10.349 1.00 0.00 C ATOM 713 C GLN A 48 9.764 3.366 -9.677 1.00 0.00 C ATOM 714 O GLN A 48 10.892 3.089 -10.036 1.00 0.00 O ATOM 715 CB GLN A 48 9.125 4.353 -11.877 1.00 0.00 C ATOM 716 CG GLN A 48 8.196 3.235 -12.364 1.00 0.00 C ATOM 717 CD GLN A 48 8.594 2.825 -13.784 1.00 0.00 C ATOM 718 OE1 GLN A 48 8.891 3.654 -14.622 1.00 0.00 O ATOM 719 NE2 GLN A 48 8.612 1.558 -14.097 1.00 0.00 N ATOM 0 H GLN A 48 8.818 6.420 -9.485 1.00 0.00 H new ATOM 0 HA GLN A 48 7.940 4.412 -10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.870 5.294 -12.364 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.158 4.127 -12.142 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.260 2.377 -11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.161 3.575 -12.349 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.364 0.857 -13.399 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.874 1.269 -15.039 1.00 0.00 H new ATOM 728 N CYS A 49 9.138 2.736 -8.708 1.00 0.00 N ATOM 729 CA CYS A 49 9.807 1.610 -7.975 1.00 0.00 C ATOM 730 C CYS A 49 8.939 0.355 -8.059 1.00 0.00 C ATOM 731 O CYS A 49 7.888 0.363 -8.670 1.00 0.00 O ATOM 732 CB CYS A 49 9.993 2.011 -6.472 1.00 0.00 C ATOM 733 SG CYS A 49 10.128 3.775 -6.060 1.00 0.00 S ATOM 0 H CYS A 49 8.192 2.953 -8.393 1.00 0.00 H new ATOM 0 HA CYS A 49 10.779 1.409 -8.427 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.151 1.603 -5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.891 1.514 -6.104 1.00 0.00 H new ATOM 738 N THR A 50 9.397 -0.696 -7.448 1.00 0.00 N ATOM 739 CA THR A 50 8.613 -1.964 -7.479 1.00 0.00 C ATOM 740 C THR A 50 7.532 -1.976 -6.397 1.00 0.00 C ATOM 741 O THR A 50 7.667 -1.344 -5.368 1.00 0.00 O ATOM 742 CB THR A 50 9.576 -3.125 -7.220 1.00 0.00 C ATOM 743 OG1 THR A 50 10.695 -2.872 -8.044 1.00 0.00 O ATOM 744 CG2 THR A 50 8.995 -4.445 -7.752 1.00 0.00 C ATOM 0 H THR A 50 10.275 -0.736 -6.930 1.00 0.00 H new ATOM 0 HA THR A 50 8.128 -2.055 -8.451 1.00 0.00 H new ATOM 0 HB THR A 50 9.785 -3.202 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.357 -3.584 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.697 -5.256 -7.557 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.050 -4.654 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.826 -4.362 -8.826 1.00 0.00 H new ATOM 752 N ILE A 51 6.471 -2.705 -6.659 1.00 0.00 N ATOM 753 CA ILE A 51 5.351 -2.792 -5.672 1.00 0.00 C ATOM 754 C ILE A 51 4.704 -4.179 -5.773 1.00 0.00 C ATOM 755 O ILE A 51 4.462 -4.674 -6.856 1.00 0.00 O ATOM 756 CB ILE A 51 4.315 -1.632 -6.008 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.276 -0.600 -4.866 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.862 -2.185 -6.217 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.525 -1.172 -3.647 1.00 0.00 C ATOM 0 H ILE A 51 6.335 -3.243 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 51 5.705 -2.664 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 51 4.654 -1.167 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.292 -0.327 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.786 0.311 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.188 -1.359 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.858 -2.895 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.529 -2.686 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.507 -0.429 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.503 -1.422 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.033 -2.070 -3.295 1.00 0.00 H new ATOM 771 N ASP A 52 4.436 -4.779 -4.640 1.00 0.00 N ATOM 772 CA ASP A 52 3.810 -6.126 -4.664 1.00 0.00 C ATOM 773 C ASP A 52 3.127 -6.444 -3.340 1.00 0.00 C ATOM 774 O ASP A 52 2.883 -5.569 -2.534 1.00 0.00 O ATOM 775 CB ASP A 52 4.915 -7.165 -4.908 1.00 0.00 C ATOM 776 CG ASP A 52 5.965 -7.056 -3.800 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.579 -6.003 -3.739 1.00 0.00 O ATOM 778 OD2 ASP A 52 6.092 -8.030 -3.077 1.00 0.00 O ATOM 0 H ASP A 52 4.623 -4.396 -3.713 1.00 0.00 H new ATOM 0 HA ASP A 52 3.058 -6.150 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.490 -8.168 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.378 -6.999 -5.881 1.00 0.00 H new ATOM 783 N LYS A 53 2.831 -7.702 -3.142 1.00 0.00 N ATOM 784 CA LYS A 53 2.164 -8.111 -1.883 1.00 0.00 C ATOM 785 C LYS A 53 3.083 -7.906 -0.682 1.00 0.00 C ATOM 786 O LYS A 53 4.254 -8.229 -0.731 1.00 0.00 O ATOM 787 CB LYS A 53 1.813 -9.606 -1.991 1.00 0.00 C ATOM 788 CG LYS A 53 0.750 -9.952 -0.947 1.00 0.00 C ATOM 789 CD LYS A 53 0.570 -11.470 -0.900 1.00 0.00 C ATOM 790 CE LYS A 53 -0.402 -11.827 0.226 1.00 0.00 C ATOM 791 NZ LYS A 53 -0.460 -13.304 0.416 1.00 0.00 N ATOM 0 H LYS A 53 3.024 -8.458 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 53 1.271 -7.503 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.445 -9.834 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.705 -10.213 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.049 -9.578 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.194 -9.469 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.188 -11.833 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.531 -11.957 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.087 -11.347 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.396 -11.445 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.124 -13.529 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.782 -13.755 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.486 -13.660 0.661 1.00 0.00 H new ATOM 805 N ASN A 54 2.535 -7.373 0.375 1.00 0.00 N ATOM 806 CA ASN A 54 3.357 -7.141 1.583 1.00 0.00 C ATOM 807 C ASN A 54 2.473 -6.739 2.760 1.00 0.00 C ATOM 808 O ASN A 54 2.090 -7.565 3.561 1.00 0.00 O ATOM 809 CB ASN A 54 4.351 -6.001 1.280 1.00 0.00 C ATOM 810 CG ASN A 54 3.649 -4.925 0.448 1.00 0.00 C ATOM 811 OD1 ASN A 54 2.441 -4.910 0.325 1.00 0.00 O ATOM 812 ND2 ASN A 54 4.368 -4.006 -0.137 1.00 0.00 N ATOM 0 H ASN A 54 1.558 -7.091 0.449 1.00 0.00 H new ATOM 0 HA ASN A 54 3.888 -8.056 1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.724 -5.572 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.214 -6.390 0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.915 -3.281 -0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.383 -4.013 -0.038 1.00 0.00 H new ATOM 819 N ARG A 55 2.169 -5.471 2.836 1.00 0.00 N ATOM 820 CA ARG A 55 1.310 -4.970 3.947 1.00 0.00 C ATOM 821 C ARG A 55 1.222 -3.459 3.883 1.00 0.00 C ATOM 822 O ARG A 55 0.243 -2.895 3.434 1.00 0.00 O ATOM 823 CB ARG A 55 1.939 -5.419 5.330 1.00 0.00 C ATOM 824 CG ARG A 55 1.001 -6.422 6.036 1.00 0.00 C ATOM 825 CD ARG A 55 -0.166 -5.661 6.672 1.00 0.00 C ATOM 826 NE ARG A 55 -1.163 -6.644 7.187 1.00 0.00 N ATOM 827 CZ ARG A 55 -1.979 -7.227 6.352 1.00 0.00 C ATOM 828 NH1 ARG A 55 -1.548 -8.242 5.654 1.00 0.00 N ATOM 829 NH2 ARG A 55 -3.199 -6.776 6.243 1.00 0.00 N ATOM 0 H ARG A 55 2.479 -4.759 2.175 1.00 0.00 H new ATOM 0 HA ARG A 55 0.306 -5.385 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.915 -5.876 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.099 -4.548 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.626 -7.153 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.549 -6.975 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.194 -5.029 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.631 -5.003 5.938 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.207 -6.859 8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.588 -8.567 5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.171 -8.710 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.501 -5.980 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.851 -7.219 5.595 1.00 0.00 H new ATOM 843 N ARG A 56 2.240 -2.854 4.330 1.00 0.00 N ATOM 844 CA ARG A 56 2.291 -1.372 4.328 1.00 0.00 C ATOM 845 C ARG A 56 3.636 -0.880 4.851 1.00 0.00 C ATOM 846 O ARG A 56 3.700 0.040 5.641 1.00 0.00 O ATOM 847 CB ARG A 56 1.173 -0.842 5.245 1.00 0.00 C ATOM 848 CG ARG A 56 1.159 -1.653 6.543 1.00 0.00 C ATOM 849 CD ARG A 56 0.255 -0.956 7.562 1.00 0.00 C ATOM 850 NE ARG A 56 0.004 -1.882 8.701 1.00 0.00 N ATOM 851 CZ ARG A 56 0.940 -2.075 9.589 1.00 0.00 C ATOM 852 NH1 ARG A 56 1.983 -2.786 9.261 1.00 0.00 N ATOM 853 NH2 ARG A 56 0.802 -1.549 10.775 1.00 0.00 N ATOM 0 H ARG A 56 3.068 -3.314 4.709 1.00 0.00 H new ATOM 0 HA ARG A 56 2.159 -1.011 3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.335 0.213 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.208 -0.919 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.799 -2.664 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.170 -1.745 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.726 -0.040 7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.687 -0.669 7.095 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.892 -2.361 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.057 -3.181 8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.725 -2.947 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.027 -0.998 10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.524 -1.689 11.482 1.00 0.00 H new ATOM 867 N LYS A 57 4.695 -1.510 4.397 1.00 0.00 N ATOM 868 CA LYS A 57 6.055 -1.098 4.853 1.00 0.00 C ATOM 869 C LYS A 57 7.092 -1.364 3.764 1.00 0.00 C ATOM 870 O LYS A 57 7.980 -2.175 3.930 1.00 0.00 O ATOM 871 CB LYS A 57 6.418 -1.921 6.106 1.00 0.00 C ATOM 872 CG LYS A 57 5.664 -1.355 7.315 1.00 0.00 C ATOM 873 CD LYS A 57 6.149 -2.056 8.587 1.00 0.00 C ATOM 874 CE LYS A 57 5.620 -1.299 9.809 1.00 0.00 C ATOM 875 NZ LYS A 57 6.197 -1.862 11.062 1.00 0.00 N ATOM 0 H LYS A 57 4.674 -2.286 3.735 1.00 0.00 H new ATOM 0 HA LYS A 57 6.052 -0.031 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.156 -2.968 5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.493 -1.883 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.831 -0.281 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.591 -1.503 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.800 -3.088 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.238 -2.088 8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.874 -0.242 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.532 -1.364 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.828 -1.337 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.933 -2.865 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.233 -1.778 11.035 1.00 0.00 H new ATOM 889 N SER A 58 6.954 -0.667 2.666 1.00 0.00 N ATOM 890 CA SER A 58 7.913 -0.851 1.545 1.00 0.00 C ATOM 891 C SER A 58 7.900 0.373 0.636 1.00 0.00 C ATOM 892 O SER A 58 8.805 1.185 0.671 1.00 0.00 O ATOM 893 CB SER A 58 7.484 -2.082 0.731 1.00 0.00 C ATOM 894 OG SER A 58 7.541 -3.152 1.663 1.00 0.00 O ATOM 0 H SER A 58 6.218 0.020 2.501 1.00 0.00 H new ATOM 0 HA SER A 58 8.918 -0.986 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.480 -1.961 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.151 -2.253 -0.114 1.00 0.00 H new ATOM 0 HG SER A 58 8.029 -2.864 2.463 1.00 0.00 H new ATOM 900 N CYS A 59 6.865 0.485 -0.169 1.00 0.00 N ATOM 901 CA CYS A 59 6.757 1.655 -1.098 1.00 0.00 C ATOM 902 C CYS A 59 5.321 2.187 -1.065 1.00 0.00 C ATOM 903 O CYS A 59 4.687 2.403 -2.079 1.00 0.00 O ATOM 904 CB CYS A 59 7.162 1.175 -2.533 1.00 0.00 C ATOM 905 SG CYS A 59 8.550 2.035 -3.337 1.00 0.00 S ATOM 0 H CYS A 59 6.095 -0.182 -0.221 1.00 0.00 H new ATOM 0 HA CYS A 59 7.421 2.465 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.408 0.115 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.289 1.266 -3.179 1.00 0.00 H new ATOM 910 N GLN A 60 4.859 2.393 0.128 1.00 0.00 N ATOM 911 CA GLN A 60 3.484 2.907 0.328 1.00 0.00 C ATOM 912 C GLN A 60 3.159 4.038 -0.639 1.00 0.00 C ATOM 913 O GLN A 60 2.104 4.067 -1.237 1.00 0.00 O ATOM 914 CB GLN A 60 3.399 3.452 1.765 1.00 0.00 C ATOM 915 CG GLN A 60 3.358 2.282 2.749 1.00 0.00 C ATOM 916 CD GLN A 60 3.112 2.819 4.161 1.00 0.00 C ATOM 917 OE1 GLN A 60 3.875 3.608 4.679 1.00 0.00 O ATOM 918 NE2 GLN A 60 2.058 2.415 4.817 1.00 0.00 N ATOM 0 H GLN A 60 5.383 2.225 0.987 1.00 0.00 H new ATOM 0 HA GLN A 60 2.774 2.099 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.258 4.089 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.508 4.070 1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.568 1.584 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.297 1.730 2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.413 1.752 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.880 2.762 5.759 1.00 0.00 H new ATOM 927 N ALA A 61 4.072 4.941 -0.772 1.00 0.00 N ATOM 928 CA ALA A 61 3.843 6.082 -1.688 1.00 0.00 C ATOM 929 C ALA A 61 3.536 5.620 -3.094 1.00 0.00 C ATOM 930 O ALA A 61 2.635 6.137 -3.725 1.00 0.00 O ATOM 931 CB ALA A 61 5.122 6.950 -1.686 1.00 0.00 C ATOM 0 H ALA A 61 4.969 4.942 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 61 2.980 6.652 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.985 7.801 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.317 7.309 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.967 6.353 -2.028 1.00 0.00 H new ATOM 937 N CYS A 62 4.268 4.666 -3.578 1.00 0.00 N ATOM 938 CA CYS A 62 3.983 4.201 -4.944 1.00 0.00 C ATOM 939 C CYS A 62 2.732 3.375 -4.922 1.00 0.00 C ATOM 940 O CYS A 62 1.975 3.392 -5.849 1.00 0.00 O ATOM 941 CB CYS A 62 5.156 3.355 -5.436 1.00 0.00 C ATOM 942 SG CYS A 62 6.620 4.244 -5.971 1.00 0.00 S ATOM 0 H CYS A 62 5.035 4.199 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 62 3.846 5.050 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.445 2.674 -4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.808 2.741 -6.266 1.00 0.00 H new ATOM 947 N ARG A 63 2.526 2.663 -3.841 1.00 0.00 N ATOM 948 CA ARG A 63 1.310 1.830 -3.756 1.00 0.00 C ATOM 949 C ARG A 63 0.104 2.685 -4.081 1.00 0.00 C ATOM 950 O ARG A 63 -0.738 2.304 -4.865 1.00 0.00 O ATOM 951 CB ARG A 63 1.178 1.294 -2.322 1.00 0.00 C ATOM 952 CG ARG A 63 0.109 0.201 -2.289 1.00 0.00 C ATOM 953 CD ARG A 63 0.118 -0.466 -0.912 1.00 0.00 C ATOM 954 NE ARG A 63 -1.101 -1.324 -0.779 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.056 -2.577 -1.158 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.752 -2.852 -2.397 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.317 -3.510 -0.284 1.00 0.00 N ATOM 0 H ARG A 63 3.144 2.629 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 63 1.373 1.000 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.133 0.895 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.909 2.103 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.873 0.629 -2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.303 -0.538 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.018 -1.069 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.134 0.290 -0.127 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.962 -0.935 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.554 -2.097 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.712 -3.822 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.551 -3.258 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.287 -4.491 -0.561 1.00 0.00 H new ATOM 971 N LEU A 64 0.039 3.836 -3.462 1.00 0.00 N ATOM 972 CA LEU A 64 -1.100 4.728 -3.728 1.00 0.00 C ATOM 973 C LEU A 64 -1.120 5.084 -5.194 1.00 0.00 C ATOM 974 O LEU A 64 -2.063 4.789 -5.900 1.00 0.00 O ATOM 975 CB LEU A 64 -0.937 6.037 -2.893 1.00 0.00 C ATOM 976 CG LEU A 64 -2.143 7.014 -3.174 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.417 6.529 -2.375 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.744 8.459 -2.735 1.00 0.00 C ATOM 0 H LEU A 64 0.725 4.184 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.028 4.226 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.894 5.797 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.004 6.525 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.379 7.015 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.249 7.206 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.685 5.522 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.197 6.524 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.574 9.140 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.509 8.464 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.871 8.783 -3.301 1.00 0.00 H new ATOM 990 N ARG A 65 -0.072 5.720 -5.636 1.00 0.00 N ATOM 991 CA ARG A 65 -0.009 6.105 -7.058 1.00 0.00 C ATOM 992 C ARG A 65 -0.371 4.937 -7.929 1.00 0.00 C ATOM 993 O ARG A 65 -1.010 5.099 -8.948 1.00 0.00 O ATOM 994 CB ARG A 65 1.432 6.576 -7.378 1.00 0.00 C ATOM 995 CG ARG A 65 1.590 6.830 -8.915 1.00 0.00 C ATOM 996 CD ARG A 65 2.292 5.633 -9.580 1.00 0.00 C ATOM 997 NE ARG A 65 2.051 5.690 -11.054 1.00 0.00 N ATOM 998 CZ ARG A 65 2.874 5.082 -11.867 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.691 3.816 -12.120 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.853 5.763 -12.399 1.00 0.00 N ATOM 0 H ARG A 65 0.736 5.985 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.717 6.911 -7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.655 7.489 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.149 5.823 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.611 6.985 -9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.167 7.739 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.362 5.659 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.911 4.697 -9.171 1.00 0.00 H new ATOM 0 HE ARG A 65 1.249 6.200 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.915 3.316 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.324 3.326 -12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.965 6.752 -12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.505 5.306 -13.036 1.00 0.00 H new ATOM 1014 N LYS A 66 0.032 3.770 -7.526 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.302 2.611 -8.340 1.00 0.00 C ATOM 1016 C LYS A 66 -1.796 2.427 -8.257 1.00 0.00 C ATOM 1017 O LYS A 66 -2.453 2.251 -9.251 1.00 0.00 O ATOM 1018 CB LYS A 66 0.435 1.345 -7.780 1.00 0.00 C ATOM 1019 CG LYS A 66 0.946 0.476 -8.953 1.00 0.00 C ATOM 1020 CD LYS A 66 2.282 1.040 -9.464 1.00 0.00 C ATOM 1021 CE LYS A 66 2.822 0.138 -10.576 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.383 -1.119 -10.003 1.00 0.00 N ATOM 0 H LYS A 66 0.569 3.584 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 66 0.009 2.753 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.270 1.648 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.243 0.765 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.076 -0.556 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.212 0.465 -9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.142 2.054 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.001 1.099 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.024 -0.100 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.594 0.665 -11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.383 -1.862 -10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.357 -0.949 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.800 -1.424 -9.197 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.315 2.535 -7.049 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.769 2.369 -6.871 1.00 0.00 C ATOM 1038 C CYS A 67 -4.502 3.288 -7.800 1.00 0.00 C ATOM 1039 O CYS A 67 -5.539 2.960 -8.293 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.127 2.661 -5.393 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.716 1.254 -4.449 1.00 0.00 S ATOM 0 H CYS A 67 -1.787 2.729 -6.198 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.066 1.348 -7.110 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.245 3.066 -4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.891 3.438 -5.369 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.908 1.504 -3.996 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.972 4.445 -8.010 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.673 5.366 -8.928 1.00 0.00 C ATOM 1049 C TYR A 68 -4.334 4.966 -10.356 1.00 0.00 C ATOM 1050 O TYR A 68 -5.117 5.159 -11.264 1.00 0.00 O ATOM 1051 CB TYR A 68 -4.168 6.803 -8.685 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.546 7.338 -7.271 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.833 7.205 -6.748 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.633 8.107 -6.559 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -6.177 7.832 -5.590 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -4.003 8.731 -5.396 1.00 0.00 C ATOM 1057 CZ TYR A 68 -5.273 8.595 -4.910 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.638 9.225 -3.771 1.00 0.00 O ATOM 0 H TYR A 68 -3.105 4.790 -7.599 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.749 5.318 -8.760 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.085 6.828 -8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.586 7.465 -9.444 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.562 6.600 -7.266 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.623 8.214 -6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.180 7.724 -5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.286 9.335 -4.860 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.838 9.542 -3.302 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.160 4.410 -10.527 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.747 3.984 -11.887 1.00 0.00 C ATOM 1070 C GLU A 69 -3.538 2.773 -12.293 1.00 0.00 C ATOM 1071 O GLU A 69 -3.725 2.486 -13.458 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.238 3.635 -11.855 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.616 3.908 -13.231 1.00 0.00 C ATOM 1074 CD GLU A 69 -1.220 2.951 -14.260 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -1.026 1.761 -14.072 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -1.841 3.463 -15.177 1.00 0.00 O ATOM 0 H GLU A 69 -2.480 4.236 -9.787 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.929 4.784 -12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.733 4.229 -11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.102 2.588 -11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.800 4.941 -13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.465 3.777 -13.186 1.00 0.00 H new ATOM 1083 N VAL A 70 -3.980 2.097 -11.311 1.00 0.00 N ATOM 1084 CA VAL A 70 -4.779 0.876 -11.547 1.00 0.00 C ATOM 1085 C VAL A 70 -6.021 1.253 -12.311 1.00 0.00 C ATOM 1086 O VAL A 70 -6.392 0.642 -13.292 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.226 0.299 -10.161 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.436 -0.637 -10.352 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.100 -0.482 -9.474 1.00 0.00 C ATOM 0 H VAL A 70 -3.827 2.331 -10.330 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.191 0.145 -12.102 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.492 1.145 -9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.743 -1.036 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.262 -0.079 -10.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.160 -1.459 -11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.454 -0.864 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.796 -1.315 -10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.248 0.177 -9.309 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.620 2.263 -11.815 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.877 2.797 -12.423 1.00 0.00 C ATOM 1101 C GLY A 71 -9.056 2.377 -11.540 1.00 0.00 C ATOM 1102 O GLY A 71 -9.984 1.739 -11.997 1.00 0.00 O ATOM 0 H GLY A 71 -6.299 2.770 -10.990 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.829 3.883 -12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.004 2.410 -13.434 1.00 0.00 H new ATOM 1106 N MET A 72 -8.990 2.754 -10.275 1.00 0.00 N ATOM 1107 CA MET A 72 -10.109 2.386 -9.308 1.00 0.00 C ATOM 1108 C MET A 72 -10.824 3.605 -8.827 1.00 0.00 C ATOM 1109 O MET A 72 -11.966 3.856 -9.148 1.00 0.00 O ATOM 1110 CB MET A 72 -9.492 1.678 -8.026 1.00 0.00 C ATOM 1111 CG MET A 72 -7.990 1.977 -7.942 1.00 0.00 C ATOM 1112 SD MET A 72 -7.193 1.893 -6.332 1.00 0.00 S ATOM 1113 CE MET A 72 -7.794 0.271 -5.907 1.00 0.00 C ATOM 0 H MET A 72 -8.225 3.292 -9.868 1.00 0.00 H new ATOM 0 HA MET A 72 -10.799 1.729 -9.838 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.994 2.033 -7.126 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.656 0.602 -8.079 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.475 1.282 -8.605 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.827 2.978 -8.342 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.247 -0.104 -5.042 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.856 0.327 -5.669 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.647 -0.404 -6.750 1.00 0.00 H new ATOM 1123 N MET A 73 -10.111 4.309 -8.049 1.00 0.00 N ATOM 1124 CA MET A 73 -10.617 5.552 -7.451 1.00 0.00 C ATOM 1125 C MET A 73 -11.697 5.217 -6.471 1.00 0.00 C ATOM 1126 O MET A 73 -12.706 4.634 -6.820 1.00 0.00 O ATOM 1127 CB MET A 73 -11.173 6.498 -8.521 1.00 0.00 C ATOM 1128 CG MET A 73 -10.168 6.623 -9.675 1.00 0.00 C ATOM 1129 SD MET A 73 -10.459 7.949 -10.887 1.00 0.00 S ATOM 1130 CE MET A 73 -8.734 8.462 -11.123 1.00 0.00 C ATOM 0 H MET A 73 -9.155 4.073 -7.784 1.00 0.00 H new ATOM 0 HA MET A 73 -9.792 6.057 -6.949 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.125 6.121 -8.894 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.367 7.479 -8.087 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.177 6.768 -9.246 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.148 5.674 -10.210 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.693 9.280 -11.842 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.320 8.795 -10.171 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.152 7.620 -11.497 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.468 5.585 -5.254 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.462 5.303 -4.201 1.00 0.00 C ATOM 1142 C LYS A 74 -13.893 5.560 -4.697 1.00 0.00 C ATOM 1143 O LYS A 74 -14.839 4.982 -4.197 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.172 6.221 -2.996 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.305 6.098 -1.968 1.00 0.00 C ATOM 1146 CD LYS A 74 -12.856 6.725 -0.644 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.079 6.942 0.251 1.00 0.00 C ATOM 1148 NZ LYS A 74 -14.998 7.944 -0.357 1.00 0.00 N ATOM 0 H LYS A 74 -10.629 6.073 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.385 4.253 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.221 5.947 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.080 7.255 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.201 6.598 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.564 5.050 -1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.137 6.075 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.353 7.674 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.604 5.998 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.760 7.282 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.202 8.693 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.549 8.362 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.885 7.478 -0.635 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.019 6.422 -5.669 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.375 6.727 -6.206 1.00 0.00 C ATOM 1164 C GLY A 75 -15.959 5.501 -6.910 1.00 0.00 C ATOM 1165 O GLY A 75 -17.105 5.603 -7.313 1.00 0.00 O ATOM 1166 OXT GLY A 75 -15.226 4.530 -7.003 1.00 0.00 O ATOM 0 H GLY A 75 -13.249 6.924 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.033 7.036 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.317 7.562 -6.904 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.316 -5.618 -4.277 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.404 4.002 -4.547 1.00 0.00 ZN