USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 GLN : amide:sc= 1.04 K(o=1,f=-0.18) USER MOD Set 2.1: A 82 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 74 THR OG1 : rot -64:sc= 0.953 USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 0.833 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.97 K(o=0.97,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.569 USER MOD Single : A 17 CYS SG : rot 62:sc= 0.183 USER MOD Single : A 20 ASN : amide:sc= -0.0632 K(o=-0.063,f=-0.58) USER MOD Single : A 22 SER OG : rot 180:sc= 0.317 USER MOD Single : A 26 ASN : amide:sc= 2.28 K(o=2.3,f=-8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A 34 SER OG : rot -49:sc= 0.0859 USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= 0.0604 (180deg=0) USER MOD Single : A 39 MET CE :methyl 150:sc= 0 (180deg=-1.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.998 K(o=1,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 1.06 (180deg=0.677) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.08 (180deg=1.05) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -172:sc= 0.0261 USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 0.0556 (180deg=-0.0971) USER MOD Single : A 63 ASN : amide:sc= 0.119 X(o=0.12,f=-0.091) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -5:sc= 0.00263 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0997) USER MOD Single : A 86 MET CE :methyl -161:sc= -0.0102 (180deg=-0.329) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.071 14.801 -8.629 1.00 0.00 N ATOM 2 CA CYS A 2 -0.607 15.271 -9.925 1.00 0.00 C ATOM 3 C CYS A 2 0.821 14.779 -10.265 1.00 0.00 C ATOM 4 O CYS A 2 1.437 15.226 -11.237 1.00 0.00 O ATOM 5 CB CYS A 2 -0.838 16.809 -10.020 1.00 0.00 C ATOM 6 SG CYS A 2 -0.771 17.777 -8.447 1.00 0.00 S ATOM 0 HA CYS A 2 -1.200 14.820 -10.720 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.093 17.220 -10.701 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.813 16.976 -10.477 1.00 0.00 H new ATOM 11 N GLY A 3 1.355 13.856 -9.455 1.00 0.00 N ATOM 12 CA GLY A 3 2.706 13.283 -9.535 1.00 0.00 C ATOM 13 C GLY A 3 3.769 14.270 -9.043 1.00 0.00 C ATOM 14 O GLY A 3 4.716 13.871 -8.370 1.00 0.00 O ATOM 0 H GLY A 3 0.823 13.465 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.751 12.372 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.921 13.000 -10.565 1.00 0.00 H new ATOM 18 N ASP A 4 3.569 15.571 -9.273 1.00 0.00 N ATOM 19 CA ASP A 4 4.392 16.622 -8.673 1.00 0.00 C ATOM 20 C ASP A 4 4.181 16.651 -7.139 1.00 0.00 C ATOM 21 O ASP A 4 5.037 17.168 -6.417 1.00 0.00 O ATOM 22 CB ASP A 4 4.074 17.979 -9.314 1.00 0.00 C ATOM 23 CG ASP A 4 4.736 18.132 -10.695 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.988 18.208 -10.759 1.00 0.00 O ATOM 25 OD2 ASP A 4 4.018 18.208 -11.720 1.00 0.00 O ATOM 0 H ASP A 4 2.831 15.924 -9.881 1.00 0.00 H new ATOM 0 HA ASP A 4 5.444 16.407 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.994 18.088 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.415 18.779 -8.657 1.00 0.00 H new ATOM 30 N CYS A 5 3.081 16.051 -6.647 1.00 0.00 N ATOM 31 CA CYS A 5 2.756 15.882 -5.233 1.00 0.00 C ATOM 32 C CYS A 5 3.785 15.001 -4.477 1.00 0.00 C ATOM 33 O CYS A 5 3.896 15.099 -3.253 1.00 0.00 O ATOM 34 CB CYS A 5 1.367 15.207 -5.070 1.00 0.00 C ATOM 35 SG CYS A 5 -0.076 16.187 -5.593 1.00 0.00 S ATOM 0 H CYS A 5 2.367 15.656 -7.259 1.00 0.00 H new ATOM 0 HA CYS A 5 2.766 16.886 -4.808 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.371 14.276 -5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.237 14.941 -4.021 1.00 0.00 H new ATOM 40 N VAL A 6 4.511 14.108 -5.170 1.00 0.00 N ATOM 41 CA VAL A 6 5.445 13.137 -4.562 1.00 0.00 C ATOM 42 C VAL A 6 6.908 13.433 -4.944 1.00 0.00 C ATOM 43 O VAL A 6 7.208 13.778 -6.089 1.00 0.00 O ATOM 44 CB VAL A 6 5.047 11.681 -4.910 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.590 11.382 -4.527 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.206 11.263 -6.377 1.00 0.00 C ATOM 0 H VAL A 6 4.467 14.037 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 6 5.371 13.248 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 6 5.763 11.106 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.350 10.351 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.459 11.526 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.926 12.057 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.896 10.225 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.585 11.901 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.250 11.366 -6.674 1.00 0.00 H new ATOM 56 N GLU A 7 7.847 13.295 -4.001 1.00 0.00 N ATOM 57 CA GLU A 7 9.291 13.493 -4.229 1.00 0.00 C ATOM 58 C GLU A 7 9.852 12.430 -5.199 1.00 0.00 C ATOM 59 O GLU A 7 10.660 12.753 -6.076 1.00 0.00 O ATOM 60 CB GLU A 7 10.039 13.523 -2.878 1.00 0.00 C ATOM 61 CG GLU A 7 11.562 13.585 -3.016 1.00 0.00 C ATOM 62 CD GLU A 7 12.245 13.910 -1.674 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.366 15.109 -1.324 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.695 12.971 -0.973 1.00 0.00 O ATOM 0 H GLU A 7 7.625 13.038 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 7 9.449 14.458 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.700 14.386 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.771 12.635 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.932 12.631 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.830 14.342 -3.753 1.00 0.00 H new ATOM 71 N LYS A 8 9.380 11.182 -5.081 1.00 0.00 N ATOM 72 CA LYS A 8 9.693 10.041 -5.953 1.00 0.00 C ATOM 73 C LYS A 8 8.407 9.272 -6.264 1.00 0.00 C ATOM 74 O LYS A 8 7.545 9.123 -5.398 1.00 0.00 O ATOM 75 CB LYS A 8 10.706 9.102 -5.271 1.00 0.00 C ATOM 76 CG LYS A 8 12.106 9.720 -5.148 1.00 0.00 C ATOM 77 CD LYS A 8 13.097 8.730 -4.521 1.00 0.00 C ATOM 78 CE LYS A 8 14.481 9.381 -4.400 1.00 0.00 C ATOM 79 NZ LYS A 8 15.475 8.451 -3.803 1.00 0.00 N ATOM 0 H LYS A 8 8.734 10.927 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 8 10.133 10.414 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.341 8.842 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.773 8.174 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.462 10.020 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.056 10.623 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.743 8.422 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.161 7.830 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.823 9.695 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.408 10.279 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.398 8.925 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.161 8.171 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.562 7.605 -4.402 1.00 0.00 H new ATOM 93 N GLU A 9 8.296 8.755 -7.485 1.00 0.00 N ATOM 94 CA GLU A 9 7.175 7.913 -7.923 1.00 0.00 C ATOM 95 C GLU A 9 7.408 6.467 -7.454 1.00 0.00 C ATOM 96 O GLU A 9 8.454 5.888 -7.757 1.00 0.00 O ATOM 97 CB GLU A 9 7.080 7.936 -9.461 1.00 0.00 C ATOM 98 CG GLU A 9 6.393 9.191 -10.012 1.00 0.00 C ATOM 99 CD GLU A 9 6.995 9.610 -11.367 1.00 0.00 C ATOM 100 OE1 GLU A 9 7.978 10.392 -11.384 1.00 0.00 O ATOM 101 OE2 GLU A 9 6.494 9.160 -12.426 1.00 0.00 O ATOM 0 H GLU A 9 8.992 8.909 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 9 6.249 8.295 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.084 7.867 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.533 7.055 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.326 9.002 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.496 10.008 -9.298 1.00 0.00 H new ATOM 108 N TYR A 10 6.443 5.884 -6.731 1.00 0.00 N ATOM 109 CA TYR A 10 6.503 4.510 -6.197 1.00 0.00 C ATOM 110 C TYR A 10 7.858 4.178 -5.528 1.00 0.00 C ATOM 111 O TYR A 10 8.560 3.253 -5.956 1.00 0.00 O ATOM 112 CB TYR A 10 6.091 3.478 -7.266 1.00 0.00 C ATOM 113 CG TYR A 10 4.731 3.693 -7.914 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.552 4.724 -8.860 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.644 2.861 -7.575 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.291 4.949 -9.437 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.373 3.098 -8.140 1.00 0.00 C ATOM 118 CZ TYR A 10 2.195 4.139 -9.077 1.00 0.00 C ATOM 119 OH TYR A 10 0.972 4.372 -9.630 1.00 0.00 O ATOM 0 H TYR A 10 5.575 6.364 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 10 5.770 4.449 -5.393 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.848 3.475 -8.050 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.101 2.488 -6.809 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.390 5.344 -9.143 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.784 2.043 -6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.161 5.743 -10.157 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.534 2.481 -7.855 1.00 0.00 H new ATOM 0 HH TYR A 10 0.325 3.726 -9.278 1.00 0.00 H new ATOM 129 N PRO A 11 8.249 4.927 -4.478 1.00 0.00 N ATOM 130 CA PRO A 11 9.515 4.720 -3.773 1.00 0.00 C ATOM 131 C PRO A 11 9.571 3.333 -3.121 1.00 0.00 C ATOM 132 O PRO A 11 8.557 2.834 -2.641 1.00 0.00 O ATOM 133 CB PRO A 11 9.559 5.836 -2.722 1.00 0.00 C ATOM 134 CG PRO A 11 8.092 6.139 -2.452 1.00 0.00 C ATOM 135 CD PRO A 11 7.497 6.009 -3.850 1.00 0.00 C ATOM 0 HA PRO A 11 10.371 4.758 -4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.074 5.513 -1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.087 6.714 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.649 5.433 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.948 7.136 -2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.433 5.777 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.598 6.938 -4.411 1.00 0.00 H new ATOM 143 N ASN A 12 10.741 2.696 -3.048 1.00 0.00 N ATOM 144 CA ASN A 12 10.852 1.417 -2.339 1.00 0.00 C ATOM 145 C ASN A 12 10.857 1.680 -0.821 1.00 0.00 C ATOM 146 O ASN A 12 11.380 2.698 -0.358 1.00 0.00 O ATOM 147 CB ASN A 12 12.125 0.675 -2.782 1.00 0.00 C ATOM 148 CG ASN A 12 12.084 0.254 -4.242 1.00 0.00 C ATOM 149 OD1 ASN A 12 11.390 -0.672 -4.635 1.00 0.00 O ATOM 150 ND2 ASN A 12 12.842 0.907 -5.092 1.00 0.00 N ATOM 0 H ASN A 12 11.610 3.035 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 12 9.999 0.783 -2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.990 1.318 -2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.261 -0.208 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.850 0.641 -6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.423 1.680 -4.768 1.00 0.00 H new ATOM 157 N ARG A 13 10.265 0.763 -0.045 1.00 0.00 N ATOM 158 CA ARG A 13 10.081 0.890 1.421 1.00 0.00 C ATOM 159 C ARG A 13 10.735 -0.223 2.244 1.00 0.00 C ATOM 160 O ARG A 13 10.235 -0.586 3.308 1.00 0.00 O ATOM 161 CB ARG A 13 8.576 1.020 1.726 1.00 0.00 C ATOM 162 CG ARG A 13 7.876 2.195 1.034 1.00 0.00 C ATOM 163 CD ARG A 13 8.450 3.571 1.407 1.00 0.00 C ATOM 164 NE ARG A 13 8.334 3.854 2.853 1.00 0.00 N ATOM 165 CZ ARG A 13 7.232 4.146 3.524 1.00 0.00 C ATOM 166 NH1 ARG A 13 6.075 4.283 2.946 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.274 4.289 4.817 1.00 0.00 N ATOM 0 H ARG A 13 9.890 -0.109 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 13 10.607 1.792 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.079 0.096 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.446 1.122 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.948 2.063 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.816 2.174 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.499 3.617 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.927 4.345 0.845 1.00 0.00 H new ATOM 0 HE ARG A 13 9.199 3.820 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.992 4.165 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.250 4.509 3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.157 4.176 5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.424 4.514 5.333 1.00 0.00 H new ATOM 181 N GLY A 14 11.826 -0.802 1.743 1.00 0.00 N ATOM 182 CA GLY A 14 12.544 -1.895 2.421 1.00 0.00 C ATOM 183 C GLY A 14 11.642 -3.098 2.736 1.00 0.00 C ATOM 184 O GLY A 14 11.759 -3.701 3.803 1.00 0.00 O ATOM 0 H GLY A 14 12.243 -0.529 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.372 -2.223 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.976 -1.519 3.348 1.00 0.00 H new ATOM 188 N ASN A 15 10.727 -3.400 1.804 1.00 0.00 N ATOM 189 CA ASN A 15 9.729 -4.480 1.820 1.00 0.00 C ATOM 190 C ASN A 15 8.461 -4.182 2.671 1.00 0.00 C ATOM 191 O ASN A 15 7.640 -5.078 2.879 1.00 0.00 O ATOM 192 CB ASN A 15 10.361 -5.847 2.179 1.00 0.00 C ATOM 193 CG ASN A 15 11.559 -6.317 1.363 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.181 -5.602 0.585 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.922 -7.569 1.523 1.00 0.00 N ATOM 0 H ASN A 15 10.660 -2.849 0.948 1.00 0.00 H new ATOM 0 HA ASN A 15 9.366 -4.537 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.663 -5.811 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.583 -6.606 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.716 -7.940 1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.410 -8.170 2.168 1.00 0.00 H new ATOM 202 N THR A 16 8.255 -2.951 3.161 1.00 0.00 N ATOM 203 CA THR A 16 7.080 -2.582 3.986 1.00 0.00 C ATOM 204 C THR A 16 5.800 -2.518 3.140 1.00 0.00 C ATOM 205 O THR A 16 5.730 -1.693 2.233 1.00 0.00 O ATOM 206 CB THR A 16 7.328 -1.218 4.661 1.00 0.00 C ATOM 207 OG1 THR A 16 8.466 -1.281 5.494 1.00 0.00 O ATOM 208 CG2 THR A 16 6.169 -0.734 5.527 1.00 0.00 C ATOM 0 H THR A 16 8.897 -2.175 2.999 1.00 0.00 H new ATOM 0 HA THR A 16 6.944 -3.351 4.746 1.00 0.00 H new ATOM 0 HB THR A 16 7.459 -0.517 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.266 -1.058 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.421 0.231 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.274 -0.631 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.982 -1.456 6.322 1.00 0.00 H new ATOM 216 N CYS A 17 4.783 -3.350 3.421 1.00 0.00 N ATOM 217 CA CYS A 17 3.516 -3.395 2.678 1.00 0.00 C ATOM 218 C CYS A 17 2.325 -3.139 3.623 1.00 0.00 C ATOM 219 O CYS A 17 2.020 -3.979 4.473 1.00 0.00 O ATOM 220 CB CYS A 17 3.395 -4.761 1.981 1.00 0.00 C ATOM 221 SG CYS A 17 4.808 -5.093 0.888 1.00 0.00 S ATOM 0 H CYS A 17 4.821 -4.023 4.187 1.00 0.00 H new ATOM 0 HA CYS A 17 3.503 -2.610 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.325 -5.547 2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.473 -4.792 1.401 1.00 0.00 H new ATOM 0 HG CYS A 17 5.902 -5.118 1.589 1.00 0.00 H new ATOM 227 N LEU A 18 1.678 -1.973 3.495 1.00 0.00 N ATOM 228 CA LEU A 18 0.591 -1.488 4.366 1.00 0.00 C ATOM 229 C LEU A 18 -0.724 -1.199 3.626 1.00 0.00 C ATOM 230 O LEU A 18 -0.741 -0.761 2.475 1.00 0.00 O ATOM 231 CB LEU A 18 1.071 -0.199 5.075 1.00 0.00 C ATOM 232 CG LEU A 18 1.779 -0.371 6.433 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.872 -1.434 6.442 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.408 0.963 6.844 1.00 0.00 C ATOM 0 H LEU A 18 1.905 -1.312 2.752 1.00 0.00 H new ATOM 0 HA LEU A 18 0.370 -2.287 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.750 0.325 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.207 0.448 5.223 1.00 0.00 H new ATOM 0 HG LEU A 18 1.010 -0.700 7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.318 -1.489 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.441 -2.401 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.640 -1.173 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.911 0.848 7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.132 1.271 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.630 1.721 6.931 1.00 0.00 H new ATOM 246 N GLU A 19 -1.825 -1.388 4.354 1.00 0.00 N ATOM 247 CA GLU A 19 -3.214 -1.121 3.959 1.00 0.00 C ATOM 248 C GLU A 19 -3.758 0.204 4.539 1.00 0.00 C ATOM 249 O GLU A 19 -4.935 0.522 4.353 1.00 0.00 O ATOM 250 CB GLU A 19 -4.113 -2.293 4.412 1.00 0.00 C ATOM 251 CG GLU A 19 -4.418 -2.419 5.916 1.00 0.00 C ATOM 252 CD GLU A 19 -3.205 -2.851 6.766 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.324 -2.004 7.045 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.137 -4.035 7.174 1.00 0.00 O ATOM 0 H GLU A 19 -1.769 -1.758 5.303 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.228 -1.025 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.062 -2.212 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.644 -3.221 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.784 -1.461 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.222 -3.142 6.054 1.00 0.00 H new ATOM 261 N ASN A 20 -2.929 0.956 5.273 1.00 0.00 N ATOM 262 CA ASN A 20 -3.287 2.212 5.946 1.00 0.00 C ATOM 263 C ASN A 20 -2.164 3.268 5.878 1.00 0.00 C ATOM 264 O ASN A 20 -0.981 2.934 5.766 1.00 0.00 O ATOM 265 CB ASN A 20 -3.583 1.911 7.433 1.00 0.00 C ATOM 266 CG ASN A 20 -4.894 1.189 7.687 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.950 1.577 7.208 1.00 0.00 O ATOM 268 ND2 ASN A 20 -4.883 0.133 8.469 1.00 0.00 N ATOM 0 H ASN A 20 -1.953 0.697 5.420 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.158 2.620 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.769 1.309 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.589 2.851 7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.753 -0.359 8.674 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.005 -0.195 8.871 1.00 0.00 H new ATOM 275 N GLY A 21 -2.544 4.544 6.031 1.00 0.00 N ATOM 276 CA GLY A 21 -1.633 5.694 6.104 1.00 0.00 C ATOM 277 C GLY A 21 -1.413 6.463 4.793 1.00 0.00 C ATOM 278 O GLY A 21 -2.009 6.159 3.760 1.00 0.00 O ATOM 0 H GLY A 21 -3.525 4.812 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.017 6.390 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.665 5.344 6.463 1.00 0.00 H new ATOM 282 N SER A 22 -0.539 7.472 4.884 1.00 0.00 N ATOM 283 CA SER A 22 -0.088 8.389 3.821 1.00 0.00 C ATOM 284 C SER A 22 1.366 8.786 4.103 1.00 0.00 C ATOM 285 O SER A 22 1.673 9.287 5.187 1.00 0.00 O ATOM 286 CB SER A 22 -0.940 9.659 3.791 1.00 0.00 C ATOM 287 OG SER A 22 -2.268 9.394 3.364 1.00 0.00 O ATOM 0 H SER A 22 -0.090 7.689 5.774 1.00 0.00 H new ATOM 0 HA SER A 22 -0.181 7.882 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.960 10.106 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.482 10.388 3.123 1.00 0.00 H new ATOM 0 HG SER A 22 -2.782 10.228 3.359 1.00 0.00 H new ATOM 293 N PHE A 23 2.283 8.521 3.170 1.00 0.00 N ATOM 294 CA PHE A 23 3.726 8.744 3.340 1.00 0.00 C ATOM 295 C PHE A 23 4.183 10.211 3.262 1.00 0.00 C ATOM 296 O PHE A 23 4.735 10.672 2.262 1.00 0.00 O ATOM 297 CB PHE A 23 4.475 7.825 2.370 1.00 0.00 C ATOM 298 CG PHE A 23 5.976 7.659 2.557 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.592 7.783 3.822 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.762 7.300 1.447 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.974 7.569 3.956 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.150 7.111 1.577 1.00 0.00 C ATOM 303 CZ PHE A 23 8.761 7.270 2.832 1.00 0.00 C ATOM 0 H PHE A 23 2.042 8.138 2.256 1.00 0.00 H new ATOM 0 HA PHE A 23 3.978 8.484 4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.020 6.836 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.304 8.196 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.000 8.043 4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.294 7.168 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.435 7.635 4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.744 6.845 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.831 7.163 2.932 1.00 0.00 H new ATOM 313 N LEU A 24 3.954 10.962 4.341 1.00 0.00 N ATOM 314 CA LEU A 24 4.277 12.388 4.457 1.00 0.00 C ATOM 315 C LEU A 24 5.729 12.759 4.091 1.00 0.00 C ATOM 316 O LEU A 24 5.976 13.848 3.574 1.00 0.00 O ATOM 317 CB LEU A 24 3.941 12.893 5.873 1.00 0.00 C ATOM 318 CG LEU A 24 2.522 12.590 6.394 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.293 13.325 7.715 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.425 13.003 5.414 1.00 0.00 C ATOM 0 H LEU A 24 3.525 10.584 5.186 1.00 0.00 H new ATOM 0 HA LEU A 24 3.656 12.887 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.659 12.460 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.088 13.973 5.894 1.00 0.00 H new ATOM 0 HG LEU A 24 2.462 11.510 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.289 13.110 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.027 12.992 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.399 14.398 7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.450 12.764 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.487 14.075 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.554 12.465 4.475 1.00 0.00 H new ATOM 332 N LEU A 25 6.686 11.852 4.324 1.00 0.00 N ATOM 333 CA LEU A 25 8.105 12.028 3.975 1.00 0.00 C ATOM 334 C LEU A 25 8.366 12.033 2.453 1.00 0.00 C ATOM 335 O LEU A 25 9.402 12.542 2.022 1.00 0.00 O ATOM 336 CB LEU A 25 8.935 10.940 4.682 1.00 0.00 C ATOM 337 CG LEU A 25 9.173 11.197 6.184 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.805 9.962 6.828 1.00 0.00 C ATOM 339 CD2 LEU A 25 10.108 12.383 6.435 1.00 0.00 C ATOM 0 H LEU A 25 6.493 10.955 4.770 1.00 0.00 H new ATOM 0 HA LEU A 25 8.412 13.015 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.430 9.981 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.900 10.854 4.183 1.00 0.00 H new ATOM 0 HG LEU A 25 8.199 11.420 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.971 10.149 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.137 9.108 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.758 9.747 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.242 12.520 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.075 12.189 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.674 13.286 6.005 1.00 0.00 H new ATOM 351 N ASN A 26 7.428 11.534 1.637 1.00 0.00 N ATOM 352 CA ASN A 26 7.496 11.572 0.171 1.00 0.00 C ATOM 353 C ASN A 26 6.551 12.652 -0.374 1.00 0.00 C ATOM 354 O ASN A 26 6.861 13.283 -1.379 1.00 0.00 O ATOM 355 CB ASN A 26 7.148 10.189 -0.397 1.00 0.00 C ATOM 356 CG ASN A 26 7.398 10.089 -1.899 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.278 10.717 -2.457 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.660 9.292 -2.624 1.00 0.00 N ATOM 0 H ASN A 26 6.582 11.083 1.986 1.00 0.00 H new ATOM 0 HA ASN A 26 8.509 11.827 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.739 9.431 0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.100 9.970 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.830 9.211 -3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.913 8.751 -2.188 1.00 0.00 H new ATOM 365 N PHE A 27 5.414 12.898 0.286 1.00 0.00 N ATOM 366 CA PHE A 27 4.483 13.963 -0.110 1.00 0.00 C ATOM 367 C PHE A 27 5.123 15.346 0.092 1.00 0.00 C ATOM 368 O PHE A 27 5.337 15.795 1.221 1.00 0.00 O ATOM 369 CB PHE A 27 3.158 13.869 0.655 1.00 0.00 C ATOM 370 CG PHE A 27 2.119 14.914 0.255 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.646 14.993 -1.073 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.619 15.818 1.213 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.662 15.935 -1.440 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.629 16.754 0.855 1.00 0.00 C ATOM 375 CZ PHE A 27 0.138 16.797 -0.463 1.00 0.00 C ATOM 0 H PHE A 27 5.114 12.369 1.105 1.00 0.00 H new ATOM 0 HA PHE A 27 4.264 13.830 -1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.734 12.877 0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.361 13.967 1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.044 14.322 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.996 15.793 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.315 15.993 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.245 17.441 1.595 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.644 17.495 -0.724 1.00 0.00 H new ATOM 385 N THR A 28 5.410 16.043 -1.002 1.00 0.00 N ATOM 386 CA THR A 28 6.020 17.391 -1.006 1.00 0.00 C ATOM 387 C THR A 28 4.978 18.516 -1.064 1.00 0.00 C ATOM 388 O THR A 28 5.333 19.689 -1.202 1.00 0.00 O ATOM 389 CB THR A 28 7.021 17.543 -2.167 1.00 0.00 C ATOM 390 OG1 THR A 28 6.454 17.116 -3.387 1.00 0.00 O ATOM 391 CG2 THR A 28 8.269 16.703 -1.917 1.00 0.00 C ATOM 0 H THR A 28 5.225 15.688 -1.940 1.00 0.00 H new ATOM 0 HA THR A 28 6.550 17.486 -0.059 1.00 0.00 H new ATOM 0 HB THR A 28 7.280 18.600 -2.226 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.109 17.224 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.962 16.825 -2.749 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.748 17.029 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.989 15.653 -1.829 1.00 0.00 H new ATOM 399 N GLY A 29 3.690 18.173 -0.954 1.00 0.00 N ATOM 400 CA GLY A 29 2.571 19.104 -1.068 1.00 0.00 C ATOM 401 C GLY A 29 2.040 19.115 -2.507 1.00 0.00 C ATOM 402 O GLY A 29 2.812 18.923 -3.452 1.00 0.00 O ATOM 0 H GLY A 29 3.393 17.213 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.776 18.815 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.891 20.106 -0.782 1.00 0.00 H new ATOM 406 N CYS A 30 0.734 19.338 -2.657 1.00 0.00 N ATOM 407 CA CYS A 30 0.024 19.349 -3.929 1.00 0.00 C ATOM 408 C CYS A 30 0.632 20.290 -4.973 1.00 0.00 C ATOM 409 O CYS A 30 1.416 21.200 -4.670 1.00 0.00 O ATOM 410 CB CYS A 30 -1.461 19.691 -3.684 1.00 0.00 C ATOM 411 SG CYS A 30 -2.551 19.188 -5.082 1.00 0.00 S ATOM 0 H CYS A 30 0.121 19.523 -1.863 1.00 0.00 H new ATOM 0 HA CYS A 30 0.118 18.349 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.797 19.198 -2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.560 20.764 -3.521 1.00 0.00 H new ATOM 416 N ALA A 31 0.190 20.109 -6.206 1.00 0.00 N ATOM 417 CA ALA A 31 0.500 20.981 -7.329 1.00 0.00 C ATOM 418 C ALA A 31 -0.762 21.480 -8.061 1.00 0.00 C ATOM 419 O ALA A 31 -0.656 22.451 -8.823 1.00 0.00 O ATOM 420 CB ALA A 31 1.539 20.352 -8.258 1.00 0.00 C ATOM 0 H ALA A 31 -0.413 19.327 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 31 0.961 21.881 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.746 21.031 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.458 20.166 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.154 19.410 -8.649 1.00 0.00 H new ATOM 426 N VAL A 32 -1.955 20.923 -7.800 1.00 0.00 N ATOM 427 CA VAL A 32 -3.213 21.468 -8.334 1.00 0.00 C ATOM 428 C VAL A 32 -3.543 22.780 -7.600 1.00 0.00 C ATOM 429 O VAL A 32 -4.051 23.718 -8.226 1.00 0.00 O ATOM 430 CB VAL A 32 -4.389 20.457 -8.240 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.786 21.071 -8.448 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.280 19.368 -9.316 1.00 0.00 C ATOM 0 H VAL A 32 -2.075 20.092 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.076 21.667 -9.397 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.299 20.072 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.542 20.291 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.965 21.833 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.840 21.525 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.118 18.678 -9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.299 19.829 -10.304 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.345 18.823 -9.188 1.00 0.00 H new ATOM 442 N CYS A 33 -3.222 22.867 -6.302 1.00 0.00 N ATOM 443 CA CYS A 33 -3.471 24.015 -5.424 1.00 0.00 C ATOM 444 C CYS A 33 -2.266 24.508 -4.580 1.00 0.00 C ATOM 445 O CYS A 33 -2.309 25.635 -4.071 1.00 0.00 O ATOM 446 CB CYS A 33 -4.623 23.642 -4.491 1.00 0.00 C ATOM 447 SG CYS A 33 -4.104 22.317 -3.349 1.00 0.00 S ATOM 0 H CYS A 33 -2.759 22.101 -5.813 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.699 24.854 -6.081 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.940 24.517 -3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.482 23.313 -5.075 1.00 0.00 H new ATOM 452 N SER A 34 -1.197 23.707 -4.444 1.00 0.00 N ATOM 453 CA SER A 34 0.041 24.018 -3.694 1.00 0.00 C ATOM 454 C SER A 34 -0.019 23.817 -2.156 1.00 0.00 C ATOM 455 O SER A 34 0.798 24.401 -1.434 1.00 0.00 O ATOM 456 CB SER A 34 0.608 25.398 -4.090 1.00 0.00 C ATOM 457 OG SER A 34 2.012 25.467 -3.889 1.00 0.00 O ATOM 0 H SER A 34 -1.166 22.781 -4.872 1.00 0.00 H new ATOM 0 HA SER A 34 0.745 23.249 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.380 25.598 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.118 26.175 -3.503 1.00 0.00 H new ATOM 0 HG SER A 34 2.230 25.147 -2.989 1.00 0.00 H new ATOM 463 N LYS A 35 -0.947 23.010 -1.612 1.00 0.00 N ATOM 464 CA LYS A 35 -1.075 22.761 -0.151 1.00 0.00 C ATOM 465 C LYS A 35 -0.277 21.540 0.332 1.00 0.00 C ATOM 466 O LYS A 35 -0.234 20.512 -0.339 1.00 0.00 O ATOM 467 CB LYS A 35 -2.557 22.547 0.199 1.00 0.00 C ATOM 468 CG LYS A 35 -3.364 23.859 0.189 1.00 0.00 C ATOM 469 CD LYS A 35 -3.917 24.181 1.578 1.00 0.00 C ATOM 470 CE LYS A 35 -4.581 25.563 1.575 1.00 0.00 C ATOM 471 NZ LYS A 35 -5.060 25.944 2.929 1.00 0.00 N ATOM 0 H LYS A 35 -1.636 22.506 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.665 23.637 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.997 21.849 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.631 22.087 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.728 24.677 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.186 23.778 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.641 23.422 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.112 24.158 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.870 26.308 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.420 25.563 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.005 26.371 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.108 25.097 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.402 26.631 3.350 1.00 0.00 H new ATOM 485 N ARG A 36 0.289 21.608 1.546 1.00 0.00 N ATOM 486 CA ARG A 36 0.985 20.496 2.237 1.00 0.00 C ATOM 487 C ARG A 36 0.278 20.199 3.568 1.00 0.00 C ATOM 488 O ARG A 36 -0.523 21.011 4.020 1.00 0.00 O ATOM 489 CB ARG A 36 2.489 20.781 2.373 1.00 0.00 C ATOM 490 CG ARG A 36 3.262 19.497 2.727 1.00 0.00 C ATOM 491 CD ARG A 36 4.743 19.605 2.387 1.00 0.00 C ATOM 492 NE ARG A 36 5.419 18.308 2.605 1.00 0.00 N ATOM 493 CZ ARG A 36 6.336 17.996 3.502 1.00 0.00 C ATOM 494 NH1 ARG A 36 6.840 18.868 4.330 1.00 0.00 N ATOM 495 NH2 ARG A 36 6.759 16.770 3.577 1.00 0.00 N ATOM 0 H ARG A 36 0.278 22.465 2.098 1.00 0.00 H new ATOM 0 HA ARG A 36 0.925 19.587 1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.871 21.194 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.652 21.533 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.149 19.289 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.828 18.654 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.862 19.914 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.209 20.373 3.004 1.00 0.00 H new ATOM 0 HE ARG A 36 5.139 17.553 1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.527 19.838 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.547 18.580 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.383 16.061 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.467 16.516 4.266 1.00 0.00 H new ATOM 509 N ASP A 37 0.521 19.025 4.164 1.00 0.00 N ATOM 510 CA ASP A 37 -0.149 18.506 5.382 1.00 0.00 C ATOM 511 C ASP A 37 -1.695 18.459 5.306 1.00 0.00 C ATOM 512 O ASP A 37 -2.411 18.383 6.306 1.00 0.00 O ATOM 513 CB ASP A 37 0.421 19.120 6.669 1.00 0.00 C ATOM 514 CG ASP A 37 0.153 20.618 6.912 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.933 20.977 7.428 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.079 21.436 6.684 1.00 0.00 O ATOM 0 H ASP A 37 1.219 18.376 3.801 1.00 0.00 H new ATOM 0 HA ASP A 37 0.109 17.448 5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.020 18.563 7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.500 18.965 6.668 1.00 0.00 H new ATOM 521 N PHE A 38 -2.189 18.468 4.070 1.00 0.00 N ATOM 522 CA PHE A 38 -3.586 18.450 3.643 1.00 0.00 C ATOM 523 C PHE A 38 -3.872 17.204 2.799 1.00 0.00 C ATOM 524 O PHE A 38 -3.553 17.150 1.612 1.00 0.00 O ATOM 525 CB PHE A 38 -3.910 19.734 2.862 1.00 0.00 C ATOM 526 CG PHE A 38 -4.417 20.893 3.705 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.683 21.388 4.800 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.654 21.482 3.386 1.00 0.00 C ATOM 529 CE1 PHE A 38 -4.166 22.485 5.538 1.00 0.00 C ATOM 530 CE2 PHE A 38 -6.134 22.585 4.111 1.00 0.00 C ATOM 531 CZ PHE A 38 -5.388 23.088 5.192 1.00 0.00 C ATOM 0 H PHE A 38 -1.562 18.490 3.266 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.228 18.411 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.012 20.055 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.659 19.501 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.747 20.925 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.242 21.081 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.596 22.865 6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.073 23.045 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.753 23.935 5.755 1.00 0.00 H new ATOM 541 N MET A 39 -4.484 16.195 3.418 1.00 0.00 N ATOM 542 CA MET A 39 -4.861 14.935 2.754 1.00 0.00 C ATOM 543 C MET A 39 -5.867 14.090 3.552 1.00 0.00 C ATOM 544 O MET A 39 -5.867 14.069 4.784 1.00 0.00 O ATOM 545 CB MET A 39 -3.639 14.063 2.380 1.00 0.00 C ATOM 546 CG MET A 39 -2.452 14.233 3.336 1.00 0.00 C ATOM 547 SD MET A 39 -1.228 12.912 3.349 1.00 0.00 S ATOM 548 CE MET A 39 -0.686 12.858 1.624 1.00 0.00 C ATOM 0 H MET A 39 -4.737 16.224 4.406 1.00 0.00 H new ATOM 0 HA MET A 39 -5.354 15.260 1.838 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.940 13.015 2.369 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.320 14.313 1.368 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.944 15.165 3.086 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.843 14.345 4.347 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.351 12.527 1.579 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.314 12.162 1.067 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.769 13.852 1.185 1.00 0.00 H new ATOM 558 N LEU A 40 -6.696 13.376 2.790 1.00 0.00 N ATOM 559 CA LEU A 40 -7.781 12.454 3.140 1.00 0.00 C ATOM 560 C LEU A 40 -7.614 11.134 2.363 1.00 0.00 C ATOM 561 O LEU A 40 -6.882 11.073 1.372 1.00 0.00 O ATOM 562 CB LEU A 40 -9.124 13.116 2.727 1.00 0.00 C ATOM 563 CG LEU A 40 -9.872 14.003 3.739 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.846 13.168 4.574 1.00 0.00 C ATOM 565 CD2 LEU A 40 -8.989 14.762 4.710 1.00 0.00 C ATOM 0 H LEU A 40 -6.611 13.439 1.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.764 12.244 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.932 13.721 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.803 12.318 2.427 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.382 14.736 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.364 13.814 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.574 12.693 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.294 12.402 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.611 15.356 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.399 14.055 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.321 15.421 4.155 1.00 0.00 H new ATOM 577 N ILE A 41 -8.352 10.097 2.764 1.00 0.00 N ATOM 578 CA ILE A 41 -8.444 8.795 2.091 1.00 0.00 C ATOM 579 C ILE A 41 -9.936 8.511 1.893 1.00 0.00 C ATOM 580 O ILE A 41 -10.738 8.690 2.814 1.00 0.00 O ATOM 581 CB ILE A 41 -7.762 7.681 2.918 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.229 7.885 2.936 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.122 6.272 2.381 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.494 7.002 3.954 1.00 0.00 C ATOM 0 H ILE A 41 -8.929 10.142 3.604 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.923 8.816 1.134 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.135 7.747 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.834 7.681 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.014 8.931 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.625 5.514 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.201 6.128 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.793 6.182 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.424 7.204 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.859 7.222 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.676 5.952 3.724 1.00 0.00 H new ATOM 596 N THR A 42 -10.308 8.055 0.699 1.00 0.00 N ATOM 597 CA THR A 42 -11.693 7.696 0.359 1.00 0.00 C ATOM 598 C THR A 42 -11.735 6.567 -0.665 1.00 0.00 C ATOM 599 O THR A 42 -10.690 6.136 -1.159 1.00 0.00 O ATOM 600 CB THR A 42 -12.486 8.925 -0.133 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.844 8.747 0.211 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.438 9.185 -1.643 1.00 0.00 C ATOM 0 H THR A 42 -9.653 7.921 -0.072 1.00 0.00 H new ATOM 0 HA THR A 42 -12.173 7.336 1.269 1.00 0.00 H new ATOM 0 HB THR A 42 -12.012 9.781 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.363 9.521 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.028 10.071 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.405 9.344 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.847 8.325 -2.173 1.00 0.00 H new ATOM 610 N ASN A 43 -12.948 6.120 -1.015 1.00 0.00 N ATOM 611 CA ASN A 43 -13.204 5.128 -2.069 1.00 0.00 C ATOM 612 C ASN A 43 -12.484 3.771 -1.835 1.00 0.00 C ATOM 613 O ASN A 43 -12.332 2.951 -2.743 1.00 0.00 O ATOM 614 CB ASN A 43 -12.928 5.883 -3.391 1.00 0.00 C ATOM 615 CG ASN A 43 -13.007 5.067 -4.665 1.00 0.00 C ATOM 616 OD1 ASN A 43 -14.023 4.469 -4.998 1.00 0.00 O ATOM 617 ND2 ASN A 43 -11.944 5.059 -5.433 1.00 0.00 N ATOM 0 H ASN A 43 -13.801 6.446 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.231 4.763 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.638 6.706 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.934 6.325 -3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.958 4.551 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.103 5.560 -5.146 1.00 0.00 H new ATOM 624 N LYS A 44 -12.050 3.534 -0.588 1.00 0.00 N ATOM 625 CA LYS A 44 -11.351 2.339 -0.104 1.00 0.00 C ATOM 626 C LYS A 44 -12.155 1.058 -0.324 1.00 0.00 C ATOM 627 O LYS A 44 -13.190 0.838 0.309 1.00 0.00 O ATOM 628 CB LYS A 44 -11.001 2.530 1.379 1.00 0.00 C ATOM 629 CG LYS A 44 -9.940 1.527 1.858 1.00 0.00 C ATOM 630 CD LYS A 44 -9.457 1.809 3.283 1.00 0.00 C ATOM 631 CE LYS A 44 -8.180 1.001 3.539 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.602 1.294 4.871 1.00 0.00 N ATOM 0 H LYS A 44 -12.188 4.218 0.156 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.436 2.220 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.637 3.545 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.903 2.418 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.353 0.519 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.088 1.554 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.262 2.874 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.228 1.536 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.402 -0.064 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.445 1.227 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.588 1.061 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.725 2.304 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.086 0.723 5.593 1.00 0.00 H new ATOM 646 N SER A 45 -11.652 0.218 -1.217 1.00 0.00 N ATOM 647 CA SER A 45 -12.207 -1.087 -1.564 1.00 0.00 C ATOM 648 C SER A 45 -11.357 -2.234 -1.014 1.00 0.00 C ATOM 649 O SER A 45 -10.149 -2.098 -0.804 1.00 0.00 O ATOM 650 CB SER A 45 -12.325 -1.196 -3.089 1.00 0.00 C ATOM 651 OG SER A 45 -13.320 -0.310 -3.576 1.00 0.00 O ATOM 0 H SER A 45 -10.807 0.436 -1.745 1.00 0.00 H new ATOM 0 HA SER A 45 -13.193 -1.171 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.366 -0.964 -3.551 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.574 -2.220 -3.368 1.00 0.00 H new ATOM 0 HG SER A 45 -13.381 -0.391 -4.551 1.00 0.00 H new ATOM 657 N LEU A 46 -11.996 -3.388 -0.822 1.00 0.00 N ATOM 658 CA LEU A 46 -11.388 -4.626 -0.333 1.00 0.00 C ATOM 659 C LEU A 46 -11.944 -5.830 -1.107 1.00 0.00 C ATOM 660 O LEU A 46 -13.144 -5.904 -1.386 1.00 0.00 O ATOM 661 CB LEU A 46 -11.582 -4.745 1.191 1.00 0.00 C ATOM 662 CG LEU A 46 -11.151 -6.114 1.778 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.537 -5.938 3.168 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.320 -7.093 1.927 1.00 0.00 C ATOM 0 H LEU A 46 -12.993 -3.490 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.313 -4.608 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.013 -3.956 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.632 -4.575 1.427 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.429 -6.519 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.242 -6.911 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.661 -5.293 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.270 -5.485 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.957 -8.033 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.069 -6.667 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.767 -7.277 0.950 1.00 0.00 H new ATOM 676 N LYS A 47 -11.051 -6.755 -1.463 1.00 0.00 N ATOM 677 CA LYS A 47 -11.319 -7.976 -2.227 1.00 0.00 C ATOM 678 C LYS A 47 -10.683 -9.186 -1.563 1.00 0.00 C ATOM 679 O LYS A 47 -9.619 -9.068 -0.967 1.00 0.00 O ATOM 680 CB LYS A 47 -10.790 -7.814 -3.658 1.00 0.00 C ATOM 681 CG LYS A 47 -11.753 -8.362 -4.713 1.00 0.00 C ATOM 682 CD LYS A 47 -11.288 -7.996 -6.131 1.00 0.00 C ATOM 683 CE LYS A 47 -12.286 -8.464 -7.200 1.00 0.00 C ATOM 684 NZ LYS A 47 -12.145 -9.906 -7.526 1.00 0.00 N ATOM 0 H LYS A 47 -10.066 -6.668 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.396 -8.139 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.606 -6.758 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.832 -8.326 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.822 -9.446 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.752 -7.962 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.159 -6.916 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.314 -8.447 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.301 -8.272 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.143 -7.876 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.906 -10.191 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.223 -10.071 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.207 -10.467 -6.653 1.00 0.00 H new ATOM 698 N GLU A 48 -11.314 -10.347 -1.665 1.00 0.00 N ATOM 699 CA GLU A 48 -10.744 -11.589 -1.121 1.00 0.00 C ATOM 700 C GLU A 48 -10.965 -12.762 -2.091 1.00 0.00 C ATOM 701 O GLU A 48 -12.103 -13.166 -2.343 1.00 0.00 O ATOM 702 CB GLU A 48 -11.388 -11.905 0.242 1.00 0.00 C ATOM 703 CG GLU A 48 -11.168 -10.843 1.325 1.00 0.00 C ATOM 704 CD GLU A 48 -11.804 -11.297 2.655 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.168 -12.076 3.408 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.955 -10.893 2.954 1.00 0.00 O ATOM 0 H GLU A 48 -12.221 -10.463 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.671 -11.450 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.460 -12.038 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.994 -12.856 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.101 -10.671 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.605 -9.896 1.009 1.00 0.00 H new ATOM 713 N GLU A 49 -9.876 -13.333 -2.616 1.00 0.00 N ATOM 714 CA GLU A 49 -9.882 -14.522 -3.482 1.00 0.00 C ATOM 715 C GLU A 49 -9.106 -15.703 -2.885 1.00 0.00 C ATOM 716 O GLU A 49 -7.894 -15.617 -2.727 1.00 0.00 O ATOM 717 CB GLU A 49 -9.327 -14.199 -4.878 1.00 0.00 C ATOM 718 CG GLU A 49 -9.989 -13.014 -5.602 1.00 0.00 C ATOM 719 CD GLU A 49 -11.509 -13.156 -5.816 1.00 0.00 C ATOM 720 OE1 GLU A 49 -12.015 -14.287 -6.016 1.00 0.00 O ATOM 721 OE2 GLU A 49 -12.199 -12.107 -5.855 1.00 0.00 O ATOM 0 H GLU A 49 -8.937 -12.972 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.927 -14.820 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.260 -13.995 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.429 -15.086 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.800 -12.105 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.510 -12.886 -6.573 1.00 0.00 H new ATOM 728 N ASP A 50 -9.744 -16.852 -2.679 1.00 0.00 N ATOM 729 CA ASP A 50 -9.117 -18.134 -2.274 1.00 0.00 C ATOM 730 C ASP A 50 -8.055 -18.113 -1.133 1.00 0.00 C ATOM 731 O ASP A 50 -7.227 -19.020 -1.017 1.00 0.00 O ATOM 732 CB ASP A 50 -8.558 -18.764 -3.567 1.00 0.00 C ATOM 733 CG ASP A 50 -8.308 -20.281 -3.461 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.198 -21.015 -2.967 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.246 -20.758 -3.934 1.00 0.00 O ATOM 0 H ASP A 50 -10.755 -16.932 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.899 -18.725 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.256 -18.576 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.623 -18.268 -3.827 1.00 0.00 H new ATOM 740 N GLY A 51 -8.051 -17.069 -0.300 1.00 0.00 N ATOM 741 CA GLY A 51 -7.093 -16.828 0.798 1.00 0.00 C ATOM 742 C GLY A 51 -6.296 -15.525 0.638 1.00 0.00 C ATOM 743 O GLY A 51 -5.799 -14.977 1.622 1.00 0.00 O ATOM 0 H GLY A 51 -8.748 -16.328 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.635 -16.800 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.398 -17.666 0.854 1.00 0.00 H new ATOM 747 N GLU A 52 -6.204 -14.998 -0.586 1.00 0.00 N ATOM 748 CA GLU A 52 -5.583 -13.711 -0.908 1.00 0.00 C ATOM 749 C GLU A 52 -6.521 -12.579 -0.465 1.00 0.00 C ATOM 750 O GLU A 52 -7.726 -12.640 -0.706 1.00 0.00 O ATOM 751 CB GLU A 52 -5.299 -13.630 -2.427 1.00 0.00 C ATOM 752 CG GLU A 52 -4.743 -12.286 -2.941 1.00 0.00 C ATOM 753 CD GLU A 52 -4.578 -12.232 -4.481 1.00 0.00 C ATOM 754 OE1 GLU A 52 -5.039 -13.144 -5.213 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.994 -11.242 -4.987 1.00 0.00 O ATOM 0 H GLU A 52 -6.573 -15.473 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.634 -13.612 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.590 -14.417 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.224 -13.846 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.409 -11.483 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.776 -12.100 -2.473 1.00 0.00 H new ATOM 762 N GLU A 53 -5.968 -11.529 0.135 1.00 0.00 N ATOM 763 CA GLU A 53 -6.679 -10.322 0.559 1.00 0.00 C ATOM 764 C GLU A 53 -6.111 -9.122 -0.203 1.00 0.00 C ATOM 765 O GLU A 53 -4.898 -8.926 -0.241 1.00 0.00 O ATOM 766 CB GLU A 53 -6.539 -10.104 2.075 1.00 0.00 C ATOM 767 CG GLU A 53 -7.175 -11.225 2.909 1.00 0.00 C ATOM 768 CD GLU A 53 -7.112 -10.904 4.416 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.818 -9.974 4.877 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.365 -11.586 5.159 1.00 0.00 O ATOM 0 H GLU A 53 -4.971 -11.492 0.349 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.740 -10.435 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.482 -10.027 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.001 -9.154 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.213 -11.362 2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.659 -12.165 2.713 1.00 0.00 H new ATOM 777 N ILE A 54 -6.966 -8.301 -0.812 1.00 0.00 N ATOM 778 CA ILE A 54 -6.559 -7.140 -1.597 1.00 0.00 C ATOM 779 C ILE A 54 -7.233 -5.888 -1.041 1.00 0.00 C ATOM 780 O ILE A 54 -8.416 -5.920 -0.706 1.00 0.00 O ATOM 781 CB ILE A 54 -6.899 -7.329 -3.095 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.336 -8.644 -3.692 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.306 -6.144 -3.860 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.340 -9.806 -3.693 1.00 0.00 C ATOM 0 H ILE A 54 -7.977 -8.428 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.477 -7.028 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.984 -7.383 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.010 -8.457 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.453 -8.940 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.529 -6.248 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.740 -5.216 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.226 -6.122 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.872 -10.690 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.648 -10.022 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.214 -9.531 -4.284 1.00 0.00 H new ATOM 796 N VAL A 55 -6.495 -4.781 -0.971 1.00 0.00 N ATOM 797 CA VAL A 55 -6.982 -3.475 -0.515 1.00 0.00 C ATOM 798 C VAL A 55 -6.541 -2.407 -1.506 1.00 0.00 C ATOM 799 O VAL A 55 -5.344 -2.186 -1.698 1.00 0.00 O ATOM 800 CB VAL A 55 -6.426 -3.147 0.883 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.995 -1.826 1.405 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.739 -4.258 1.893 1.00 0.00 C ATOM 0 H VAL A 55 -5.511 -4.765 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.070 -3.502 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.345 -3.062 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.586 -1.619 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.725 -1.019 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.081 -1.898 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.330 -3.990 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.819 -4.382 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.290 -5.193 1.556 1.00 0.00 H new ATOM 812 N THR A 56 -7.498 -1.728 -2.135 1.00 0.00 N ATOM 813 CA THR A 56 -7.230 -0.628 -3.078 1.00 0.00 C ATOM 814 C THR A 56 -7.904 0.679 -2.644 1.00 0.00 C ATOM 815 O THR A 56 -9.072 0.667 -2.253 1.00 0.00 O ATOM 816 CB THR A 56 -7.531 -1.036 -4.527 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.908 -1.252 -4.749 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.797 -2.330 -4.911 1.00 0.00 C ATOM 0 H THR A 56 -8.491 -1.922 -2.008 1.00 0.00 H new ATOM 0 HA THR A 56 -6.161 -0.419 -3.051 1.00 0.00 H new ATOM 0 HB THR A 56 -7.186 -0.203 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.052 -1.508 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.033 -2.589 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.722 -2.182 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.115 -3.138 -4.252 1.00 0.00 H new ATOM 826 N TYR A 57 -7.206 1.816 -2.697 1.00 0.00 N ATOM 827 CA TYR A 57 -7.752 3.135 -2.332 1.00 0.00 C ATOM 828 C TYR A 57 -7.061 4.305 -3.051 1.00 0.00 C ATOM 829 O TYR A 57 -6.269 4.117 -3.978 1.00 0.00 O ATOM 830 CB TYR A 57 -7.765 3.313 -0.806 1.00 0.00 C ATOM 831 CG TYR A 57 -6.452 3.316 -0.037 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.960 2.109 0.497 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.800 4.527 0.271 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.853 2.115 1.366 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.688 4.538 1.135 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.222 3.333 1.705 1.00 0.00 C ATOM 837 OH TYR A 57 -3.203 3.344 2.608 1.00 0.00 O ATOM 0 H TYR A 57 -6.232 1.852 -2.998 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.783 3.158 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.270 4.255 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.384 2.518 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.435 1.174 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.155 5.452 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.485 1.186 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.191 5.469 1.362 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.968 4.270 2.825 1.00 0.00 H new ATOM 847 N ASP A 58 -7.343 5.529 -2.602 1.00 0.00 N ATOM 848 CA ASP A 58 -6.794 6.760 -3.151 1.00 0.00 C ATOM 849 C ASP A 58 -6.503 7.744 -2.005 1.00 0.00 C ATOM 850 O ASP A 58 -7.140 7.703 -0.947 1.00 0.00 O ATOM 851 CB ASP A 58 -7.867 7.453 -4.021 1.00 0.00 C ATOM 852 CG ASP A 58 -8.479 6.627 -5.162 1.00 0.00 C ATOM 853 OD1 ASP A 58 -9.332 5.756 -4.881 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.205 6.924 -6.348 1.00 0.00 O ATOM 0 H ASP A 58 -7.980 5.691 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.897 6.514 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.676 7.778 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.425 8.351 -4.452 1.00 0.00 H new ATOM 859 N HIS A 59 -5.615 8.698 -2.269 1.00 0.00 N ATOM 860 CA HIS A 59 -5.301 9.821 -1.385 1.00 0.00 C ATOM 861 C HIS A 59 -5.867 11.068 -2.070 1.00 0.00 C ATOM 862 O HIS A 59 -5.755 11.212 -3.287 1.00 0.00 O ATOM 863 CB HIS A 59 -3.790 9.952 -1.150 1.00 0.00 C ATOM 864 CG HIS A 59 -3.104 8.695 -0.659 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.732 8.409 0.638 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.565 7.710 -1.451 1.00 0.00 C ATOM 867 CE1 HIS A 59 -1.964 7.304 0.618 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.828 6.842 -0.634 1.00 0.00 N ATOM 0 H HIS A 59 -5.074 8.713 -3.134 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.741 9.676 -0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.319 10.264 -2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.619 10.747 -0.425 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -2.993 8.942 1.468 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.688 7.620 -2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.518 6.851 1.491 1.00 0.00 H new ATOM 876 N LEU A 60 -6.496 11.965 -1.317 1.00 0.00 N ATOM 877 CA LEU A 60 -7.183 13.150 -1.830 1.00 0.00 C ATOM 878 C LEU A 60 -6.774 14.391 -1.042 1.00 0.00 C ATOM 879 O LEU A 60 -6.800 14.373 0.185 1.00 0.00 O ATOM 880 CB LEU A 60 -8.716 12.984 -1.735 1.00 0.00 C ATOM 881 CG LEU A 60 -9.376 12.036 -2.758 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.355 10.558 -2.345 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.849 12.421 -2.905 1.00 0.00 C ATOM 0 H LEU A 60 -6.544 11.887 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.897 13.267 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.958 12.626 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.172 13.968 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.802 12.143 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.838 9.958 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.323 10.229 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.889 10.436 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.328 11.758 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.347 12.328 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.923 13.451 -3.254 1.00 0.00 H new ATOM 895 N CYS A 61 -6.428 15.468 -1.739 1.00 0.00 N ATOM 896 CA CYS A 61 -6.043 16.745 -1.146 1.00 0.00 C ATOM 897 C CYS A 61 -7.177 17.313 -0.272 1.00 0.00 C ATOM 898 O CYS A 61 -8.308 17.477 -0.728 1.00 0.00 O ATOM 899 CB CYS A 61 -5.673 17.656 -2.329 1.00 0.00 C ATOM 900 SG CYS A 61 -4.788 19.161 -1.821 1.00 0.00 S ATOM 0 H CYS A 61 -6.407 15.478 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.195 16.649 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.054 17.097 -3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.582 17.938 -2.861 1.00 0.00 H new ATOM 905 N LYS A 62 -6.911 17.632 1.000 1.00 0.00 N ATOM 906 CA LYS A 62 -7.926 18.219 1.903 1.00 0.00 C ATOM 907 C LYS A 62 -8.401 19.608 1.412 1.00 0.00 C ATOM 908 O LYS A 62 -9.416 20.113 1.897 1.00 0.00 O ATOM 909 CB LYS A 62 -7.352 18.246 3.339 1.00 0.00 C ATOM 910 CG LYS A 62 -8.098 19.068 4.406 1.00 0.00 C ATOM 911 CD LYS A 62 -9.528 18.582 4.677 1.00 0.00 C ATOM 912 CE LYS A 62 -10.322 19.551 5.565 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.626 20.831 4.868 1.00 0.00 N ATOM 0 H LYS A 62 -5.999 17.495 1.435 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.823 17.599 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.293 17.217 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.331 18.623 3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.531 19.037 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.133 20.110 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.050 18.453 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.491 17.604 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.254 19.077 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.754 19.759 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.133 21.612 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.306 20.773 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.651 21.003 4.890 1.00 0.00 H new ATOM 927 N ASN A 63 -7.702 20.223 0.453 1.00 0.00 N ATOM 928 CA ASN A 63 -8.026 21.540 -0.084 1.00 0.00 C ATOM 929 C ASN A 63 -8.867 21.439 -1.368 1.00 0.00 C ATOM 930 O ASN A 63 -10.036 21.838 -1.358 1.00 0.00 O ATOM 931 CB ASN A 63 -6.726 22.322 -0.300 1.00 0.00 C ATOM 932 CG ASN A 63 -7.004 23.693 -0.885 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.718 24.502 -0.308 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.452 24.008 -2.027 1.00 0.00 N ATOM 0 H ASN A 63 -6.877 19.806 0.021 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.644 22.081 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.200 22.428 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.069 21.765 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.617 24.928 -2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.857 23.334 -2.509 1.00 0.00 H new ATOM 941 N CYS A 64 -8.300 20.908 -2.456 1.00 0.00 N ATOM 942 CA CYS A 64 -8.960 20.782 -3.756 1.00 0.00 C ATOM 943 C CYS A 64 -9.652 19.418 -4.005 1.00 0.00 C ATOM 944 O CYS A 64 -10.347 19.259 -5.016 1.00 0.00 O ATOM 945 CB CYS A 64 -7.943 21.152 -4.860 1.00 0.00 C ATOM 946 SG CYS A 64 -6.394 20.177 -4.831 1.00 0.00 S ATOM 0 H CYS A 64 -7.347 20.546 -2.455 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.795 21.482 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.419 21.023 -5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.693 22.209 -4.765 1.00 0.00 H new ATOM 951 N HIS A 65 -9.495 18.435 -3.103 1.00 0.00 N ATOM 952 CA HIS A 65 -10.023 17.053 -3.204 1.00 0.00 C ATOM 953 C HIS A 65 -9.673 16.319 -4.506 1.00 0.00 C ATOM 954 O HIS A 65 -10.279 15.305 -4.857 1.00 0.00 O ATOM 955 CB HIS A 65 -11.489 16.958 -2.759 1.00 0.00 C ATOM 956 CG HIS A 65 -11.660 17.287 -1.294 1.00 0.00 C ATOM 957 ND1 HIS A 65 -12.127 18.483 -0.778 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.346 16.469 -0.239 1.00 0.00 C ATOM 959 CE1 HIS A 65 -12.113 18.391 0.567 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.649 17.172 0.915 1.00 0.00 N ATOM 0 H HIS A 65 -8.972 18.584 -2.240 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.468 16.467 -2.471 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.094 17.640 -3.356 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.861 15.951 -2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.941 15.470 -0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.422 19.165 1.253 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.540 16.827 1.868 1.00 0.00 H new ATOM 969 N HIS A 66 -8.629 16.786 -5.177 1.00 0.00 N ATOM 970 CA HIS A 66 -8.001 16.125 -6.311 1.00 0.00 C ATOM 971 C HIS A 66 -7.326 14.844 -5.785 1.00 0.00 C ATOM 972 O HIS A 66 -6.818 14.830 -4.657 1.00 0.00 O ATOM 973 CB HIS A 66 -6.979 17.091 -6.896 1.00 0.00 C ATOM 974 CG HIS A 66 -5.635 16.509 -7.195 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.240 15.909 -8.368 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.519 16.754 -6.442 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.896 15.901 -8.369 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.422 16.445 -7.234 1.00 0.00 N ATOM 0 H HIS A 66 -8.180 17.670 -4.936 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.716 15.854 -7.088 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.387 17.509 -7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.849 17.920 -6.200 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.850 15.541 -9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.496 17.118 -5.426 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.283 15.512 -9.169 1.00 0.00 H new ATOM 986 N VAL A 67 -7.288 13.776 -6.585 1.00 0.00 N ATOM 987 CA VAL A 67 -6.609 12.538 -6.188 1.00 0.00 C ATOM 988 C VAL A 67 -5.092 12.720 -6.299 1.00 0.00 C ATOM 989 O VAL A 67 -4.527 12.709 -7.396 1.00 0.00 O ATOM 990 CB VAL A 67 -7.104 11.325 -6.992 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.317 10.076 -6.596 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.589 11.052 -6.720 1.00 0.00 C ATOM 0 H VAL A 67 -7.718 13.742 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.856 12.329 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.960 11.552 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.676 9.222 -7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.258 10.233 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.455 9.881 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.913 10.189 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.733 10.849 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.178 11.924 -7.006 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.443 12.865 -5.142 1.00 0.00 N ATOM 1003 CA ILE A 68 -2.992 13.019 -4.985 1.00 0.00 C ATOM 1004 C ILE A 68 -2.253 11.798 -5.551 1.00 0.00 C ATOM 1005 O ILE A 68 -1.245 11.928 -6.251 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.675 13.235 -3.486 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.096 14.680 -3.140 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.201 12.960 -3.119 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.993 15.023 -1.657 1.00 0.00 C ATOM 0 H ILE A 68 -4.935 12.879 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.647 13.887 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.234 12.512 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.474 15.373 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.124 14.835 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.053 13.132 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.954 11.926 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.554 13.628 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.307 16.055 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.637 14.356 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.961 14.903 -1.327 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.760 10.601 -5.236 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.174 9.320 -5.619 1.00 0.00 C ATOM 1023 C ALA A 69 -3.166 8.153 -5.436 1.00 0.00 C ATOM 1024 O ALA A 69 -4.139 8.269 -4.686 1.00 0.00 O ATOM 1025 CB ALA A 69 -0.944 9.124 -4.714 1.00 0.00 C ATOM 0 H ALA A 69 -3.616 10.498 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.906 9.327 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.462 8.177 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.240 9.941 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.258 9.115 -3.670 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.879 7.006 -6.065 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.616 5.740 -5.898 1.00 0.00 C ATOM 1033 C ARG A 70 -2.729 4.748 -5.148 1.00 0.00 C ATOM 1034 O ARG A 70 -1.532 4.680 -5.426 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.011 5.105 -7.241 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.372 5.540 -7.783 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.384 6.924 -8.432 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.776 7.312 -8.704 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.295 7.897 -9.762 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.587 8.220 -10.808 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.566 8.175 -9.774 1.00 0.00 N ATOM 0 H ARG A 70 -2.105 6.928 -6.725 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.529 5.966 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.247 5.348 -7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.011 4.021 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.708 4.806 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.094 5.529 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.912 7.653 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.809 6.911 -9.358 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.439 7.095 -7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.587 8.020 -10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.033 8.673 -11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.147 7.940 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.981 8.628 -10.588 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.347 3.963 -4.267 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.709 2.959 -3.411 1.00 0.00 C ATOM 1057 C HIS A 71 -3.298 1.571 -3.636 1.00 0.00 C ATOM 1058 O HIS A 71 -4.516 1.398 -3.722 1.00 0.00 O ATOM 1059 CB HIS A 71 -2.963 3.339 -1.945 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.044 2.674 -0.940 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.042 3.360 -0.254 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.015 1.352 -0.560 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.431 2.451 0.520 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.011 1.245 0.380 1.00 0.00 N ATOM 0 H HIS A 71 -4.356 4.011 -4.122 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.646 2.935 -3.651 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.865 4.420 -1.844 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.993 3.087 -1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.650 0.558 -0.924 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.410 2.658 1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.752 0.396 0.883 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.440 0.562 -3.671 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.820 -0.838 -3.773 1.00 0.00 C ATOM 1074 C GLU A 72 -1.919 -1.666 -2.852 1.00 0.00 C ATOM 1075 O GLU A 72 -0.695 -1.567 -2.899 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.729 -1.297 -5.240 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.798 -2.821 -5.378 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.990 -3.238 -6.849 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.151 -3.306 -7.319 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.982 -3.502 -7.548 1.00 0.00 O ATOM 0 H GLU A 72 -1.430 0.700 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.853 -0.979 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.541 -0.846 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.796 -0.937 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.883 -3.266 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.622 -3.206 -4.777 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.530 -2.515 -2.035 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.858 -3.480 -1.175 1.00 0.00 C ATOM 1089 C TYR A 73 -2.523 -4.829 -1.433 1.00 0.00 C ATOM 1090 O TYR A 73 -3.746 -4.947 -1.359 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.964 -3.068 0.297 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.789 -4.209 1.291 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.555 -4.877 1.448 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.900 -4.632 2.040 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.426 -5.935 2.369 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.775 -5.672 2.976 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.534 -6.313 3.162 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.427 -7.283 4.110 1.00 0.00 O ATOM 0 H TYR A 73 -3.546 -2.551 -1.950 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.792 -3.532 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.211 -2.307 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.938 -2.607 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.297 -4.574 0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.857 -4.154 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.515 -6.455 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.633 -5.981 3.555 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.534 -7.685 4.068 1.00 0.00 H new ATOM 1108 N THR A 74 -1.737 -5.850 -1.751 1.00 0.00 N ATOM 1109 CA THR A 74 -2.256 -7.198 -2.013 1.00 0.00 C ATOM 1110 C THR A 74 -1.459 -8.193 -1.164 1.00 0.00 C ATOM 1111 O THR A 74 -0.235 -8.107 -1.044 1.00 0.00 O ATOM 1112 CB THR A 74 -2.243 -7.572 -3.514 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.054 -8.197 -3.941 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.441 -6.382 -4.470 1.00 0.00 C ATOM 0 H THR A 74 -0.723 -5.773 -1.836 1.00 0.00 H new ATOM 0 HA THR A 74 -3.308 -7.230 -1.730 1.00 0.00 H new ATOM 0 HB THR A 74 -3.089 -8.257 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.304 -7.574 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.418 -6.736 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.403 -5.910 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.642 -5.656 -4.318 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.153 -9.130 -0.532 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.557 -10.148 0.336 1.00 0.00 C ATOM 1124 C PHE A 75 -2.044 -11.547 -0.082 1.00 0.00 C ATOM 1125 O PHE A 75 -3.246 -11.760 -0.158 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.910 -9.840 1.794 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.704 -11.026 2.704 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.400 -11.360 3.091 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.781 -11.862 3.062 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.165 -12.512 3.843 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.540 -13.035 3.797 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.227 -13.365 4.180 1.00 0.00 C ATOM 0 H PHE A 75 -3.167 -9.209 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.472 -10.134 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.299 -9.008 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.950 -9.518 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.426 -10.725 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.788 -11.602 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.838 -12.748 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.361 -13.682 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.037 -14.273 4.732 1.00 0.00 H new ATOM 1142 N SER A 76 -1.148 -12.503 -0.328 1.00 0.00 N ATOM 1143 CA SER A 76 -1.434 -13.872 -0.811 1.00 0.00 C ATOM 1144 C SER A 76 -0.790 -14.967 0.037 1.00 0.00 C ATOM 1145 O SER A 76 0.334 -14.816 0.492 1.00 0.00 O ATOM 1146 CB SER A 76 -0.912 -14.048 -2.247 1.00 0.00 C ATOM 1147 OG SER A 76 -1.887 -13.703 -3.210 1.00 0.00 O ATOM 0 H SER A 76 -0.150 -12.345 -0.192 1.00 0.00 H new ATOM 0 HA SER A 76 -2.517 -13.979 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.026 -13.429 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.605 -15.083 -2.397 1.00 0.00 H new ATOM 0 HG SER A 76 -1.517 -13.826 -4.109 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.467 -16.098 0.237 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.892 -17.265 0.946 1.00 0.00 C ATOM 1155 C ILE A 77 -0.650 -18.410 -0.046 1.00 0.00 C ATOM 1156 O ILE A 77 -1.589 -18.873 -0.700 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.769 -17.709 2.136 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -2.015 -16.501 3.062 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.110 -18.908 2.850 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.461 -16.825 4.491 1.00 0.00 C ATOM 0 H ILE A 77 -2.425 -16.241 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 77 0.067 -16.969 1.371 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.745 -18.053 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.097 -15.916 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.772 -15.865 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.732 -19.218 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.006 -19.737 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.125 -18.617 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.603 -15.898 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.400 -17.378 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.698 -17.430 4.982 1.00 0.00 H new ATOM 1172 N MET A 78 0.604 -18.873 -0.150 1.00 0.00 N ATOM 1173 CA MET A 78 1.015 -19.993 -1.008 1.00 0.00 C ATOM 1174 C MET A 78 1.629 -21.173 -0.239 1.00 0.00 C ATOM 1175 O MET A 78 2.717 -21.038 0.312 1.00 0.00 O ATOM 1176 CB MET A 78 1.938 -19.515 -2.147 1.00 0.00 C ATOM 1177 CG MET A 78 3.110 -18.621 -1.708 1.00 0.00 C ATOM 1178 SD MET A 78 4.519 -18.528 -2.855 1.00 0.00 S ATOM 1179 CE MET A 78 3.687 -18.295 -4.448 1.00 0.00 C ATOM 0 H MET A 78 1.380 -18.468 0.374 1.00 0.00 H new ATOM 0 HA MET A 78 0.097 -20.381 -1.450 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.341 -20.389 -2.658 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.338 -18.969 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.731 -17.612 -1.548 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.474 -18.981 -0.746 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.428 -18.081 -5.218 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.143 -19.202 -4.711 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.988 -17.461 -4.375 1.00 0.00 H new ATOM 1189 N ASP A 79 0.974 -22.341 -0.267 1.00 0.00 N ATOM 1190 CA ASP A 79 1.378 -23.638 0.322 1.00 0.00 C ATOM 1191 C ASP A 79 1.807 -23.644 1.808 1.00 0.00 C ATOM 1192 O ASP A 79 1.094 -24.181 2.657 1.00 0.00 O ATOM 1193 CB ASP A 79 2.482 -24.264 -0.546 1.00 0.00 C ATOM 1194 CG ASP A 79 1.989 -24.624 -1.957 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.195 -25.587 -2.090 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.400 -23.961 -2.940 1.00 0.00 O ATOM 0 H ASP A 79 0.073 -22.416 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 79 0.461 -24.228 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.317 -23.568 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.859 -25.162 -0.056 1.00 0.00 H new ATOM 1201 N GLU A 80 2.959 -23.052 2.127 1.00 0.00 N ATOM 1202 CA GLU A 80 3.556 -22.947 3.466 1.00 0.00 C ATOM 1203 C GLU A 80 4.090 -21.536 3.748 1.00 0.00 C ATOM 1204 O GLU A 80 4.766 -21.334 4.755 1.00 0.00 O ATOM 1205 CB GLU A 80 4.743 -23.916 3.639 1.00 0.00 C ATOM 1206 CG GLU A 80 4.533 -25.320 3.073 1.00 0.00 C ATOM 1207 CD GLU A 80 5.663 -26.273 3.506 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.725 -26.312 2.836 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.495 -27.007 4.510 1.00 0.00 O ATOM 0 H GLU A 80 3.538 -22.605 1.416 1.00 0.00 H new ATOM 0 HA GLU A 80 2.753 -23.195 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.620 -23.478 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.968 -24.001 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.574 -25.712 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.491 -25.273 1.985 1.00 0.00 H new ATOM 1216 N PHE A 81 3.858 -20.560 2.869 1.00 0.00 N ATOM 1217 CA PHE A 81 4.421 -19.220 3.038 1.00 0.00 C ATOM 1218 C PHE A 81 3.325 -18.168 2.829 1.00 0.00 C ATOM 1219 O PHE A 81 2.237 -18.445 2.318 1.00 0.00 O ATOM 1220 CB PHE A 81 5.518 -18.948 1.983 1.00 0.00 C ATOM 1221 CG PHE A 81 6.310 -20.134 1.462 1.00 0.00 C ATOM 1222 CD1 PHE A 81 6.997 -21.027 2.304 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.276 -20.379 0.079 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.678 -22.130 1.755 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.939 -21.484 -0.473 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.653 -22.358 0.366 1.00 0.00 C ATOM 0 H PHE A 81 3.284 -20.672 2.033 1.00 0.00 H new ATOM 0 HA PHE A 81 4.840 -19.162 4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.048 -18.459 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.224 -18.236 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.002 -20.866 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.732 -19.707 -0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.221 -22.803 2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.902 -21.663 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.181 -23.202 -0.054 1.00 0.00 H new ATOM 1236 N GLN A 82 3.659 -16.927 3.152 1.00 0.00 N ATOM 1237 CA GLN A 82 2.812 -15.755 2.956 1.00 0.00 C ATOM 1238 C GLN A 82 3.544 -14.743 2.085 1.00 0.00 C ATOM 1239 O GLN A 82 4.743 -14.557 2.245 1.00 0.00 O ATOM 1240 CB GLN A 82 2.446 -15.100 4.288 1.00 0.00 C ATOM 1241 CG GLN A 82 2.276 -16.016 5.496 1.00 0.00 C ATOM 1242 CD GLN A 82 1.615 -15.286 6.660 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.440 -15.454 6.956 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.342 -14.444 7.361 1.00 0.00 N ATOM 0 H GLN A 82 4.559 -16.698 3.573 1.00 0.00 H new ATOM 0 HA GLN A 82 1.892 -16.080 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.217 -14.367 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.515 -14.550 4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.673 -16.880 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.250 -16.394 5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.323 -14.296 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.925 -13.939 8.143 1.00 0.00 H new ATOM 1253 N GLU A 83 2.820 -14.051 1.222 1.00 0.00 N ATOM 1254 CA GLU A 83 3.307 -13.050 0.276 1.00 0.00 C ATOM 1255 C GLU A 83 2.612 -11.722 0.535 1.00 0.00 C ATOM 1256 O GLU A 83 1.387 -11.644 0.591 1.00 0.00 O ATOM 1257 CB GLU A 83 2.987 -13.449 -1.180 1.00 0.00 C ATOM 1258 CG GLU A 83 4.038 -14.335 -1.844 1.00 0.00 C ATOM 1259 CD GLU A 83 3.693 -14.598 -3.326 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.536 -14.974 -3.636 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.579 -14.419 -4.197 1.00 0.00 O ATOM 0 H GLU A 83 1.810 -14.179 1.156 1.00 0.00 H new ATOM 0 HA GLU A 83 4.386 -12.974 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.029 -13.969 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.868 -12.542 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.016 -13.858 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.108 -15.283 -1.311 1.00 0.00 H new ATOM 1268 N TYR A 84 3.403 -10.668 0.637 1.00 0.00 N ATOM 1269 CA TYR A 84 2.952 -9.301 0.853 1.00 0.00 C ATOM 1270 C TYR A 84 3.447 -8.428 -0.283 1.00 0.00 C ATOM 1271 O TYR A 84 4.635 -8.462 -0.599 1.00 0.00 O ATOM 1272 CB TYR A 84 3.554 -8.771 2.152 1.00 0.00 C ATOM 1273 CG TYR A 84 3.023 -9.462 3.393 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.610 -10.660 3.852 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.889 -8.939 4.039 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.078 -11.324 4.977 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.378 -9.574 5.188 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.981 -10.761 5.667 1.00 0.00 C ATOM 1279 OH TYR A 84 1.482 -11.389 6.767 1.00 0.00 O ATOM 0 H TYR A 84 4.418 -10.742 0.569 1.00 0.00 H new ATOM 0 HA TYR A 84 1.863 -9.284 0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.637 -8.889 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.352 -7.702 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.469 -11.070 3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.410 -8.051 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.507 -12.258 5.309 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.526 -9.155 5.703 1.00 0.00 H new ATOM 0 HH TYR A 84 0.730 -10.873 7.126 1.00 0.00 H new ATOM 1289 N THR A 85 2.566 -7.643 -0.896 1.00 0.00 N ATOM 1290 CA THR A 85 2.945 -6.717 -1.963 1.00 0.00 C ATOM 1291 C THR A 85 2.181 -5.402 -1.796 1.00 0.00 C ATOM 1292 O THR A 85 1.019 -5.365 -1.394 1.00 0.00 O ATOM 1293 CB THR A 85 2.759 -7.300 -3.385 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.476 -7.033 -3.907 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.919 -8.825 -3.480 1.00 0.00 C ATOM 0 H THR A 85 1.572 -7.629 -0.669 1.00 0.00 H new ATOM 0 HA THR A 85 4.015 -6.534 -1.866 1.00 0.00 H new ATOM 0 HB THR A 85 3.551 -6.807 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.402 -7.417 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.772 -9.143 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.920 -9.107 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.179 -9.309 -2.842 1.00 0.00 H new ATOM 1303 N MET A 86 2.838 -4.293 -2.098 1.00 0.00 N ATOM 1304 CA MET A 86 2.290 -2.940 -2.063 1.00 0.00 C ATOM 1305 C MET A 86 2.790 -2.163 -3.279 1.00 0.00 C ATOM 1306 O MET A 86 3.917 -2.347 -3.740 1.00 0.00 O ATOM 1307 CB MET A 86 2.683 -2.270 -0.744 1.00 0.00 C ATOM 1308 CG MET A 86 2.259 -0.803 -0.654 1.00 0.00 C ATOM 1309 SD MET A 86 2.752 0.025 0.881 1.00 0.00 S ATOM 1310 CE MET A 86 4.464 0.470 0.462 1.00 0.00 C ATOM 0 H MET A 86 3.816 -4.310 -2.389 1.00 0.00 H new ATOM 0 HA MET A 86 1.201 -2.963 -2.110 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.234 -2.821 0.082 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.764 -2.336 -0.620 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.686 -0.261 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.175 -0.744 -0.753 1.00 0.00 H new ATOM 0 HE1 MET A 86 5.021 0.676 1.376 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.935 -0.356 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.465 1.358 -0.171 1.00 0.00 H new ATOM 1320 N LEU A 87 1.923 -1.299 -3.791 1.00 0.00 N ATOM 1321 CA LEU A 87 2.148 -0.438 -4.949 1.00 0.00 C ATOM 1322 C LEU A 87 1.297 0.846 -4.827 1.00 0.00 C ATOM 1323 O LEU A 87 0.084 0.832 -5.037 1.00 0.00 O ATOM 1324 CB LEU A 87 1.757 -1.231 -6.211 1.00 0.00 C ATOM 1325 CG LEU A 87 2.143 -0.526 -7.512 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.570 -0.880 -7.906 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.214 -0.899 -8.664 1.00 0.00 C ATOM 0 H LEU A 87 0.994 -1.172 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 87 3.195 -0.140 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.236 -2.209 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.681 -1.403 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 87 2.056 0.544 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.828 -0.370 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.254 -0.567 -7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.651 -1.957 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.526 -0.375 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.260 -1.975 -8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.192 -0.614 -8.414 1.00 0.00 H new ATOM 1339 N CYS A 88 1.945 1.958 -4.504 1.00 0.00 N ATOM 1340 CA CYS A 88 1.360 3.286 -4.358 1.00 0.00 C ATOM 1341 C CYS A 88 2.325 4.343 -4.917 1.00 0.00 C ATOM 1342 O CYS A 88 3.532 4.296 -4.649 1.00 0.00 O ATOM 1343 CB CYS A 88 1.088 3.556 -2.874 1.00 0.00 C ATOM 1344 SG CYS A 88 0.481 5.260 -2.622 1.00 0.00 S ATOM 0 H CYS A 88 2.949 1.958 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 88 0.423 3.337 -4.913 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.352 2.844 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.001 3.402 -2.299 1.00 0.00 H new ATOM 1349 N LEU A 89 1.794 5.304 -5.676 1.00 0.00 N ATOM 1350 CA LEU A 89 2.557 6.422 -6.235 1.00 0.00 C ATOM 1351 C LEU A 89 3.215 7.272 -5.134 1.00 0.00 C ATOM 1352 O LEU A 89 4.331 7.759 -5.331 1.00 0.00 O ATOM 1353 CB LEU A 89 1.614 7.252 -7.134 1.00 0.00 C ATOM 1354 CG LEU A 89 2.164 8.608 -7.610 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.388 8.476 -8.500 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.142 9.382 -8.435 1.00 0.00 C ATOM 0 H LEU A 89 0.805 5.327 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 89 3.381 6.040 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.361 6.656 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.686 7.428 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 89 2.415 9.128 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.727 9.467 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.184 7.972 -7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.133 7.895 -9.386 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.573 10.332 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.868 8.799 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.254 9.569 -7.832 1.00 0.00 H new ATOM 1368 N LEU A 90 2.558 7.411 -3.980 1.00 0.00 N ATOM 1369 CA LEU A 90 3.041 8.157 -2.824 1.00 0.00 C ATOM 1370 C LEU A 90 3.744 7.236 -1.829 1.00 0.00 C ATOM 1371 O LEU A 90 4.931 7.422 -1.559 1.00 0.00 O ATOM 1372 CB LEU A 90 1.836 8.834 -2.141 1.00 0.00 C ATOM 1373 CG LEU A 90 2.155 9.428 -0.753 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.252 10.482 -0.830 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.909 10.054 -0.133 1.00 0.00 C ATOM 0 H LEU A 90 1.642 6.990 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 90 3.762 8.903 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.463 9.628 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.033 8.104 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 90 2.503 8.605 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.448 10.877 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.162 10.032 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.932 11.293 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.157 10.466 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.542 10.850 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.137 9.293 -0.020 1.00 0.00 H new ATOM 1387 N CYS A 91 3.013 6.296 -1.247 1.00 0.00 N ATOM 1388 CA CYS A 91 3.492 5.441 -0.180 1.00 0.00 C ATOM 1389 C CYS A 91 4.631 4.517 -0.608 1.00 0.00 C ATOM 1390 O CYS A 91 5.571 4.321 0.168 1.00 0.00 O ATOM 1391 CB CYS A 91 2.308 4.686 0.426 1.00 0.00 C ATOM 1392 SG CYS A 91 1.084 5.858 1.076 1.00 0.00 S ATOM 0 H CYS A 91 2.047 6.105 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 91 3.938 6.071 0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.848 4.050 -0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.655 4.031 1.225 1.00 0.00 H new ATOM 1397 N GLY A 92 4.580 3.994 -1.833 1.00 0.00 N ATOM 1398 CA GLY A 92 5.670 3.217 -2.412 1.00 0.00 C ATOM 1399 C GLY A 92 5.332 1.851 -2.992 1.00 0.00 C ATOM 1400 O GLY A 92 4.217 1.345 -2.868 1.00 0.00 O ATOM 0 H GLY A 92 3.777 4.099 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.125 3.814 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.428 3.076 -1.642 1.00 0.00 H new ATOM 1404 N LYS A 93 6.349 1.231 -3.596 1.00 0.00 N ATOM 1405 CA LYS A 93 6.306 -0.130 -4.134 1.00 0.00 C ATOM 1406 C LYS A 93 7.200 -1.049 -3.307 1.00 0.00 C ATOM 1407 O LYS A 93 8.396 -0.803 -3.169 1.00 0.00 O ATOM 1408 CB LYS A 93 6.667 -0.121 -5.620 1.00 0.00 C ATOM 1409 CG LYS A 93 6.873 -1.537 -6.191 1.00 0.00 C ATOM 1410 CD LYS A 93 7.270 -1.480 -7.673 1.00 0.00 C ATOM 1411 CE LYS A 93 7.427 -2.899 -8.232 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.826 -2.884 -9.664 1.00 0.00 N ATOM 0 H LYS A 93 7.256 1.679 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 93 5.293 -0.526 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.876 0.380 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.577 0.461 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.647 -2.053 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.956 -2.115 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.512 -0.939 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.205 -0.931 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.175 -3.438 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.487 -3.440 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.923 -3.861 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.100 -2.391 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.735 -2.390 -9.766 1.00 0.00 H new ATOM 1426 N ALA A 94 6.611 -2.091 -2.736 1.00 0.00 N ATOM 1427 CA ALA A 94 7.294 -3.065 -1.897 1.00 0.00 C ATOM 1428 C ALA A 94 6.777 -4.505 -2.065 1.00 0.00 C ATOM 1429 O ALA A 94 5.633 -4.719 -2.463 1.00 0.00 O ATOM 1430 CB ALA A 94 7.167 -2.589 -0.449 1.00 0.00 C ATOM 0 H ALA A 94 5.616 -2.287 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 94 8.338 -3.118 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.669 -3.296 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.629 -1.607 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.113 -2.524 -0.178 1.00 0.00 H new ATOM 1436 N GLU A 95 7.606 -5.493 -1.723 1.00 0.00 N ATOM 1437 CA GLU A 95 7.228 -6.913 -1.706 1.00 0.00 C ATOM 1438 C GLU A 95 8.061 -7.689 -0.670 1.00 0.00 C ATOM 1439 O GLU A 95 9.272 -7.489 -0.567 1.00 0.00 O ATOM 1440 CB GLU A 95 7.402 -7.499 -3.117 1.00 0.00 C ATOM 1441 CG GLU A 95 7.119 -9.003 -3.224 1.00 0.00 C ATOM 1442 CD GLU A 95 7.236 -9.473 -4.688 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.249 -9.351 -5.453 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.320 -9.966 -5.086 1.00 0.00 O ATOM 0 H GLU A 95 8.574 -5.330 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 95 6.182 -7.006 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.739 -6.969 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.422 -7.310 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.822 -9.556 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.120 -9.219 -2.846 1.00 0.00 H new ATOM 1451 N ASP A 96 7.416 -8.583 0.084 1.00 0.00 N ATOM 1452 CA ASP A 96 8.017 -9.452 1.097 1.00 0.00 C ATOM 1453 C ASP A 96 7.380 -10.851 1.093 1.00 0.00 C ATOM 1454 O ASP A 96 6.198 -10.991 0.774 1.00 0.00 O ATOM 1455 CB ASP A 96 7.856 -8.832 2.496 1.00 0.00 C ATOM 1456 CG ASP A 96 8.961 -9.305 3.456 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.160 -9.140 3.125 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.633 -9.844 4.539 1.00 0.00 O ATOM 0 H ASP A 96 6.410 -8.727 -0.000 1.00 0.00 H new ATOM 0 HA ASP A 96 9.075 -9.550 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.882 -7.745 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.881 -9.099 2.903 1.00 0.00 H new ATOM 1463 N THR A 97 8.123 -11.879 1.507 1.00 0.00 N ATOM 1464 CA THR A 97 7.587 -13.246 1.649 1.00 0.00 C ATOM 1465 C THR A 97 8.061 -13.875 2.962 1.00 0.00 C ATOM 1466 O THR A 97 9.245 -13.788 3.300 1.00 0.00 O ATOM 1467 CB THR A 97 7.945 -14.162 0.464 1.00 0.00 C ATOM 1468 OG1 THR A 97 7.966 -13.471 -0.772 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.922 -15.287 0.321 1.00 0.00 C ATOM 0 H THR A 97 9.109 -11.795 1.754 1.00 0.00 H new ATOM 0 HA THR A 97 6.501 -13.151 1.659 1.00 0.00 H new ATOM 0 HB THR A 97 8.939 -14.550 0.685 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.200 -14.094 -1.491 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.195 -15.922 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.906 -15.883 1.234 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.934 -14.860 0.149 1.00 0.00 H new ATOM 1477 N ILE A 98 7.145 -14.497 3.714 1.00 0.00 N ATOM 1478 CA ILE A 98 7.402 -15.109 5.029 1.00 0.00 C ATOM 1479 C ILE A 98 7.034 -16.590 5.017 1.00 0.00 C ATOM 1480 O ILE A 98 5.892 -16.935 4.735 1.00 0.00 O ATOM 1481 CB ILE A 98 6.580 -14.417 6.143 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.516 -12.882 5.984 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.153 -14.801 7.515 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.802 -12.132 7.117 1.00 0.00 C ATOM 0 H ILE A 98 6.174 -14.593 3.418 1.00 0.00 H new ATOM 0 HA ILE A 98 8.466 -14.988 5.232 1.00 0.00 H new ATOM 0 HB ILE A 98 5.552 -14.770 6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.533 -12.499 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.013 -12.652 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.575 -14.314 8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.099 -15.882 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.193 -14.480 7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.813 -11.062 6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.771 -12.478 7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.315 -12.323 8.060 1.00 0.00 H new ATOM 1496 N SER A 99 7.950 -17.472 5.393 1.00 0.00 N ATOM 1497 CA SER A 99 7.646 -18.902 5.536 1.00 0.00 C ATOM 1498 C SER A 99 6.975 -19.155 6.892 1.00 0.00 C ATOM 1499 O SER A 99 7.390 -18.596 7.913 1.00 0.00 O ATOM 1500 CB SER A 99 8.900 -19.755 5.329 1.00 0.00 C ATOM 1501 OG SER A 99 9.968 -19.338 6.167 1.00 0.00 O ATOM 0 H SER A 99 8.917 -17.227 5.607 1.00 0.00 H new ATOM 0 HA SER A 99 6.943 -19.202 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.666 -20.800 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.212 -19.695 4.286 1.00 0.00 H new ATOM 0 HG SER A 99 10.750 -19.907 6.008 1.00 0.00 H new ATOM 1507 N ILE A 100 5.917 -19.970 6.912 1.00 0.00 N ATOM 1508 CA ILE A 100 5.112 -20.273 8.107 1.00 0.00 C ATOM 1509 C ILE A 100 4.826 -21.780 8.273 1.00 0.00 C ATOM 1510 O ILE A 100 5.247 -22.614 7.469 1.00 0.00 O ATOM 1511 CB ILE A 100 3.835 -19.382 8.166 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.904 -19.416 6.932 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.233 -17.914 8.414 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.125 -20.722 6.746 1.00 0.00 C ATOM 0 H ILE A 100 5.585 -20.452 6.077 1.00 0.00 H new ATOM 0 HA ILE A 100 5.712 -20.012 8.979 1.00 0.00 H new ATOM 0 HB ILE A 100 3.259 -19.816 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.193 -18.594 7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.502 -19.237 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.336 -17.296 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.769 -17.837 9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.875 -17.569 7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.501 -20.650 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.825 -21.550 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.495 -20.897 7.618 1.00 0.00 H new ATOM 1526 N LEU A 101 4.133 -22.135 9.357 1.00 0.00 N ATOM 1527 CA LEU A 101 3.775 -23.496 9.766 1.00 0.00 C ATOM 1528 C LEU A 101 2.332 -23.527 10.316 1.00 0.00 C ATOM 1529 O LEU A 101 1.811 -22.471 10.691 1.00 0.00 O ATOM 1530 CB LEU A 101 4.769 -23.890 10.881 1.00 0.00 C ATOM 1531 CG LEU A 101 6.206 -24.204 10.419 1.00 0.00 C ATOM 1532 CD1 LEU A 101 7.085 -24.454 11.646 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.272 -25.447 9.529 1.00 0.00 C ATOM 0 H LEU A 101 3.785 -21.437 10.014 1.00 0.00 H new ATOM 0 HA LEU A 101 3.824 -24.186 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.810 -23.079 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.375 -24.764 11.400 1.00 0.00 H new ATOM 0 HG LEU A 101 6.555 -23.347 9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.103 -24.677 11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.090 -23.565 12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.690 -25.298 12.211 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.305 -25.626 9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.899 -26.310 10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.659 -25.292 8.641 1.00 0.00 H new ATOM 1545 N PRO A 102 1.684 -24.708 10.430 1.00 0.00 N ATOM 1546 CA PRO A 102 0.332 -24.829 10.996 1.00 0.00 C ATOM 1547 C PRO A 102 0.234 -24.365 12.466 1.00 0.00 C ATOM 1548 O PRO A 102 -0.857 -24.061 12.949 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.064 -26.299 10.814 1.00 0.00 C ATOM 1550 CG PRO A 102 1.274 -27.030 10.738 1.00 0.00 C ATOM 1551 CD PRO A 102 2.180 -26.021 10.034 1.00 0.00 C ATOM 0 HA PRO A 102 -0.359 -24.163 10.478 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.668 -26.657 11.648 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.652 -26.446 9.908 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.650 -27.287 11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.194 -27.961 10.176 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.220 -26.153 10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.140 -26.146 8.952 1.00 0.00 H new ATOM 1559 N ASP A 103 1.370 -24.257 13.166 1.00 0.00 N ATOM 1560 CA ASP A 103 1.489 -23.729 14.535 1.00 0.00 C ATOM 1561 C ASP A 103 1.341 -22.184 14.603 1.00 0.00 C ATOM 1562 O ASP A 103 1.361 -21.599 15.687 1.00 0.00 O ATOM 1563 CB ASP A 103 2.849 -24.182 15.094 1.00 0.00 C ATOM 1564 CG ASP A 103 2.995 -23.944 16.609 1.00 0.00 C ATOM 1565 OD1 ASP A 103 2.170 -24.478 17.389 1.00 0.00 O ATOM 1566 OD2 ASP A 103 3.969 -23.273 17.029 1.00 0.00 O ATOM 0 H ASP A 103 2.269 -24.546 12.780 1.00 0.00 H new ATOM 0 HA ASP A 103 0.672 -24.123 15.139 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.985 -25.243 14.885 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.644 -23.650 14.571 1.00 0.00 H new ATOM 1571 N ASP A 104 1.188 -21.516 13.450 1.00 0.00 N ATOM 1572 CA ASP A 104 1.044 -20.061 13.276 1.00 0.00 C ATOM 1573 C ASP A 104 2.151 -19.208 13.955 1.00 0.00 C ATOM 1574 O ASP A 104 1.850 -18.333 14.776 1.00 0.00 O ATOM 1575 CB ASP A 104 -0.399 -19.644 13.619 1.00 0.00 C ATOM 1576 CG ASP A 104 -0.722 -18.171 13.307 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.175 -17.583 12.345 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -1.589 -17.593 14.004 1.00 0.00 O ATOM 0 H ASP A 104 1.160 -22.008 12.557 1.00 0.00 H new ATOM 0 HA ASP A 104 1.215 -19.833 12.224 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.090 -20.281 13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.576 -19.826 14.679 1.00 0.00 H new ATOM 1583 N PRO A 105 3.445 -19.432 13.627 1.00 0.00 N ATOM 1584 CA PRO A 105 4.557 -18.647 14.177 1.00 0.00 C ATOM 1585 C PRO A 105 4.576 -17.199 13.642 1.00 0.00 C ATOM 1586 O PRO A 105 5.079 -16.298 14.316 1.00 0.00 O ATOM 1587 CB PRO A 105 5.823 -19.412 13.773 1.00 0.00 C ATOM 1588 CG PRO A 105 5.427 -20.095 12.465 1.00 0.00 C ATOM 1589 CD PRO A 105 3.950 -20.424 12.686 1.00 0.00 C ATOM 0 HA PRO A 105 4.469 -18.542 15.258 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.670 -18.740 13.634 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.113 -20.138 14.533 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.571 -19.439 11.607 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.018 -20.992 12.283 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.398 -20.385 11.747 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.832 -21.432 13.083 1.00 0.00 H new ATOM 1597 N ARG A 106 4.004 -16.981 12.444 1.00 0.00 N ATOM 1598 CA ARG A 106 3.828 -15.703 11.719 1.00 0.00 C ATOM 1599 C ARG A 106 5.030 -14.734 11.736 1.00 0.00 C ATOM 1600 O ARG A 106 4.859 -13.515 11.760 1.00 0.00 O ATOM 1601 CB ARG A 106 2.497 -15.071 12.190 1.00 0.00 C ATOM 1602 CG ARG A 106 1.714 -14.478 11.010 1.00 0.00 C ATOM 1603 CD ARG A 106 0.429 -13.766 11.445 1.00 0.00 C ATOM 1604 NE ARG A 106 -0.563 -14.675 12.059 1.00 0.00 N ATOM 1605 CZ ARG A 106 -1.779 -14.335 12.447 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -2.261 -13.134 12.268 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -2.550 -15.197 13.037 1.00 0.00 N ATOM 0 H ARG A 106 3.619 -17.760 11.910 1.00 0.00 H new ATOM 0 HA ARG A 106 3.779 -15.931 10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 106 1.890 -15.826 12.690 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.702 -14.290 12.923 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.351 -13.773 10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.463 -15.275 10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.680 -12.980 12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.020 -13.280 10.579 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.285 -15.647 12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.693 -12.419 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.206 -12.911 12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.218 -16.147 13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.487 -14.924 13.333 1.00 0.00 H new ATOM 1621 N GLN A 107 6.253 -15.274 11.729 1.00 0.00 N ATOM 1622 CA GLN A 107 7.526 -14.536 11.788 1.00 0.00 C ATOM 1623 C GLN A 107 7.594 -13.338 10.819 1.00 0.00 C ATOM 1624 O GLN A 107 8.646 -12.710 10.639 1.00 0.00 O ATOM 1625 CB GLN A 107 8.704 -15.517 11.627 1.00 0.00 C ATOM 1626 CG GLN A 107 8.840 -16.127 10.219 1.00 0.00 C ATOM 1627 CD GLN A 107 9.981 -17.146 10.125 1.00 0.00 C ATOM 1628 OE1 GLN A 107 11.025 -17.033 10.756 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.832 -18.186 9.334 1.00 0.00 N ATOM 0 H GLN A 107 6.393 -16.283 11.680 1.00 0.00 H new ATOM 0 HA GLN A 107 7.598 -14.076 12.774 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.629 -14.997 11.875 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.589 -16.325 12.350 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.903 -16.611 9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.010 -15.329 9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.971 -18.301 8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.577 -18.878 9.256 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.788 17.429 -6.432 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.330 20.107 -3.852 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.420 5.319 -0.544 1.00 0.00 ZN