USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 152:sc= -4.15! USER MOD Set 1.2: A 39 ASN : amide:sc= -7.83! C(o=-13!,f=-13!) USER MOD Set 1.3: A 41 TYR OH : rot 30:sc= -1.03 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0922 (180deg=-0.832) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.142 (180deg=-0.279) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -30:sc=-0.00846 USER MOD Single : A 11 ASN : amide:sc= -4.97! C(o=-5!,f=-5.7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00761 USER MOD Single : A 17 TYR OH : rot -140:sc= -0.199! USER MOD Single : A 18 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-3.9!) USER MOD Single : A 19 TYR OH : rot 101:sc= -0.398 USER MOD Single : A 23 SER OG : rot -175:sc= -5.28! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 38 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-2.1!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 47 ASN : amide:sc= -0.0515 K(o=-0.052,f=-1.9!) USER MOD Single : A 48 GLN : amide:sc= -0.749 K(o=-0.75,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc=-0.00914 (180deg=-0.264) USER MOD Single : A 54 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.9) USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= -0.626 (180deg=-1.16) USER MOD Single : A 58 SER OG : rot -15:sc= 0.717 USER MOD Single : A 60 GLN : amide:sc= -2.59! C(o=-2.6!,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.254) USER MOD Single : A 67 CYS SG : rot 37:sc= 0.321 USER MOD Single : A 68 TYR OH : rot -160:sc= -7.3! USER MOD Single : A 72 MET CE :methyl 171:sc= -0.268 (180deg=-0.727) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.246 -14.631 -23.355 1.00 0.00 N ATOM 2 CA MET A 1 -6.959 -15.989 -23.875 1.00 0.00 C ATOM 3 C MET A 1 -5.518 -16.377 -23.547 1.00 0.00 C ATOM 4 O MET A 1 -4.962 -17.275 -24.144 1.00 0.00 O ATOM 5 CB MET A 1 -7.154 -16.011 -25.414 1.00 0.00 C ATOM 6 CG MET A 1 -7.463 -17.443 -25.870 1.00 0.00 C ATOM 7 SD MET A 1 -7.624 -17.730 -27.651 1.00 0.00 S ATOM 8 CE MET A 1 -5.977 -17.148 -28.126 1.00 0.00 C ATOM 0 H1 MET A 1 -8.170 -14.311 -23.710 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.264 -14.654 -22.315 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.506 -13.973 -23.674 1.00 0.00 H new ATOM 0 HA MET A 1 -7.642 -16.699 -23.408 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.968 -15.344 -25.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.255 -15.646 -25.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.675 -18.095 -25.493 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.391 -17.756 -25.392 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.725 -17.536 -29.113 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.969 -16.058 -28.151 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.244 -17.499 -27.400 1.00 0.00 H new ATOM 20 N LYS A 2 -4.939 -15.689 -22.593 1.00 0.00 N ATOM 21 CA LYS A 2 -3.532 -16.004 -22.212 1.00 0.00 C ATOM 22 C LYS A 2 -3.261 -15.627 -20.758 1.00 0.00 C ATOM 23 O LYS A 2 -2.128 -15.649 -20.319 1.00 0.00 O ATOM 24 CB LYS A 2 -2.585 -15.178 -23.117 1.00 0.00 C ATOM 25 CG LYS A 2 -2.496 -15.832 -24.502 1.00 0.00 C ATOM 26 CD LYS A 2 -1.379 -15.156 -25.307 1.00 0.00 C ATOM 27 CE LYS A 2 -1.116 -15.961 -26.580 1.00 0.00 C ATOM 28 NZ LYS A 2 0.081 -15.433 -27.294 1.00 0.00 N ATOM 0 H LYS A 2 -5.376 -14.931 -22.068 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.365 -17.074 -22.334 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.953 -14.156 -23.209 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.594 -15.120 -22.667 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.294 -16.898 -24.402 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.447 -15.735 -25.025 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.665 -14.135 -25.561 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.470 -15.093 -24.708 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.963 -17.010 -26.328 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.987 -15.914 -27.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.245 -15.991 -28.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.079 -14.438 -27.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.913 -15.501 -26.674 1.00 0.00 H new ATOM 42 N GLU A 3 -4.293 -15.287 -20.028 1.00 0.00 N ATOM 43 CA GLU A 3 -4.060 -14.915 -18.610 1.00 0.00 C ATOM 44 C GLU A 3 -5.382 -14.728 -17.839 1.00 0.00 C ATOM 45 O GLU A 3 -6.458 -14.766 -18.403 1.00 0.00 O ATOM 46 CB GLU A 3 -3.245 -13.569 -18.597 1.00 0.00 C ATOM 47 CG GLU A 3 -1.961 -13.737 -17.766 1.00 0.00 C ATOM 48 CD GLU A 3 -1.324 -12.365 -17.535 1.00 0.00 C ATOM 49 OE1 GLU A 3 -1.745 -11.450 -18.224 1.00 0.00 O ATOM 50 OE2 GLU A 3 -0.453 -12.309 -16.683 1.00 0.00 O ATOM 0 H GLU A 3 -5.261 -15.252 -20.346 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.511 -15.717 -18.116 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.992 -13.278 -19.617 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.856 -12.769 -18.179 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.192 -14.209 -16.811 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.262 -14.393 -18.285 1.00 0.00 H new ATOM 57 N THR A 4 -5.240 -14.530 -16.551 1.00 0.00 N ATOM 58 CA THR A 4 -6.421 -14.329 -15.654 1.00 0.00 C ATOM 59 C THR A 4 -6.351 -12.912 -15.068 1.00 0.00 C ATOM 60 O THR A 4 -5.436 -12.184 -15.361 1.00 0.00 O ATOM 61 CB THR A 4 -6.311 -15.411 -14.529 1.00 0.00 C ATOM 62 OG1 THR A 4 -7.116 -16.481 -14.974 1.00 0.00 O ATOM 63 CG2 THR A 4 -6.965 -14.984 -13.200 1.00 0.00 C ATOM 0 H THR A 4 -4.338 -14.499 -16.075 1.00 0.00 H new ATOM 0 HA THR A 4 -7.370 -14.431 -16.180 1.00 0.00 H new ATOM 0 HB THR A 4 -5.255 -15.619 -14.358 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.094 -17.204 -14.313 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.851 -15.782 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.482 -14.079 -12.831 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.025 -14.789 -13.362 1.00 0.00 H new ATOM 71 N ARG A 5 -7.339 -12.521 -14.302 1.00 0.00 N ATOM 72 CA ARG A 5 -7.302 -11.127 -13.703 1.00 0.00 C ATOM 73 C ARG A 5 -6.678 -11.185 -12.321 1.00 0.00 C ATOM 74 O ARG A 5 -6.685 -12.204 -11.675 1.00 0.00 O ATOM 75 CB ARG A 5 -8.753 -10.548 -13.611 1.00 0.00 C ATOM 76 CG ARG A 5 -9.703 -11.402 -14.461 1.00 0.00 C ATOM 77 CD ARG A 5 -11.080 -10.745 -14.493 1.00 0.00 C ATOM 78 NE ARG A 5 -11.010 -9.508 -15.324 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.115 -8.908 -15.673 1.00 0.00 C ATOM 80 NH1 ARG A 5 -13.173 -9.628 -15.929 1.00 0.00 N ATOM 81 NH2 ARG A 5 -12.125 -7.605 -15.755 1.00 0.00 N ATOM 0 H ARG A 5 -8.156 -13.082 -14.063 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.703 -10.477 -14.340 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.086 -10.539 -12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.766 -9.515 -13.959 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.312 -11.503 -15.473 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.777 -12.407 -14.046 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.816 -11.434 -14.906 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.404 -10.501 -13.481 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.107 -9.135 -15.617 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.128 -10.644 -15.855 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.045 -9.174 -16.203 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.279 -7.074 -15.548 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.979 -7.118 -16.026 1.00 0.00 H new ATOM 95 N TYR A 6 -6.177 -10.079 -11.871 1.00 0.00 N ATOM 96 CA TYR A 6 -5.543 -10.077 -10.523 1.00 0.00 C ATOM 97 C TYR A 6 -5.578 -8.703 -9.871 1.00 0.00 C ATOM 98 O TYR A 6 -6.175 -7.780 -10.390 1.00 0.00 O ATOM 99 CB TYR A 6 -4.071 -10.463 -10.718 1.00 0.00 C ATOM 100 CG TYR A 6 -3.938 -11.553 -11.775 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.138 -12.870 -11.442 1.00 0.00 C ATOM 102 CD2 TYR A 6 -3.532 -11.240 -13.053 1.00 0.00 C ATOM 103 CE1 TYR A 6 -3.924 -13.860 -12.364 1.00 0.00 C ATOM 104 CE2 TYR A 6 -3.311 -12.234 -13.976 1.00 0.00 C ATOM 105 CZ TYR A 6 -3.505 -13.553 -13.640 1.00 0.00 C ATOM 106 OH TYR A 6 -3.275 -14.551 -14.563 1.00 0.00 O ATOM 0 H TYR A 6 -6.175 -9.186 -12.364 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.087 -10.769 -9.880 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.496 -9.587 -11.017 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.653 -10.811 -9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.466 -13.127 -10.446 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.386 -10.207 -13.332 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.085 -14.892 -12.088 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.983 -11.977 -14.972 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.983 -15.364 -14.100 1.00 0.00 H new ATOM 116 N CYS A 7 -4.925 -8.588 -8.723 1.00 0.00 N ATOM 117 CA CYS A 7 -4.917 -7.295 -8.049 1.00 0.00 C ATOM 118 C CYS A 7 -4.376 -6.251 -8.982 1.00 0.00 C ATOM 119 O CYS A 7 -3.212 -6.267 -9.330 1.00 0.00 O ATOM 120 CB CYS A 7 -4.021 -7.343 -6.798 1.00 0.00 C ATOM 121 SG CYS A 7 -3.927 -5.794 -5.840 1.00 0.00 S ATOM 0 H CYS A 7 -4.415 -9.337 -8.254 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.938 -7.053 -7.754 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.385 -8.134 -6.142 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.013 -7.622 -7.105 1.00 0.00 H new ATOM 126 N ALA A 8 -5.215 -5.361 -9.373 1.00 0.00 N ATOM 127 CA ALA A 8 -4.760 -4.306 -10.289 1.00 0.00 C ATOM 128 C ALA A 8 -3.615 -3.524 -9.667 1.00 0.00 C ATOM 129 O ALA A 8 -3.081 -2.621 -10.279 1.00 0.00 O ATOM 130 CB ALA A 8 -5.925 -3.340 -10.495 1.00 0.00 C ATOM 0 H ALA A 8 -6.197 -5.316 -9.100 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.427 -4.754 -11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.621 -2.542 -11.172 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.771 -3.877 -10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.216 -2.911 -9.536 1.00 0.00 H new ATOM 136 N VAL A 9 -3.254 -3.889 -8.445 1.00 0.00 N ATOM 137 CA VAL A 9 -2.127 -3.156 -7.752 1.00 0.00 C ATOM 138 C VAL A 9 -0.929 -3.994 -7.248 1.00 0.00 C ATOM 139 O VAL A 9 0.189 -3.602 -7.489 1.00 0.00 O ATOM 140 CB VAL A 9 -2.729 -2.482 -6.515 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.618 -1.745 -5.729 1.00 0.00 C ATOM 142 CG2 VAL A 9 -3.794 -1.490 -6.955 1.00 0.00 C ATOM 0 H VAL A 9 -3.680 -4.645 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.717 -2.494 -8.514 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.179 -3.237 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.050 -1.267 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.858 -2.461 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.162 -0.988 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.226 -1.007 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.344 -0.735 -7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.577 -2.015 -7.502 1.00 0.00 H new ATOM 152 N CYS A 10 -1.139 -5.117 -6.569 1.00 0.00 N ATOM 153 CA CYS A 10 0.099 -5.872 -6.092 1.00 0.00 C ATOM 154 C CYS A 10 0.022 -7.399 -5.806 1.00 0.00 C ATOM 155 O CYS A 10 0.830 -8.149 -6.315 1.00 0.00 O ATOM 156 CB CYS A 10 0.404 -5.249 -4.731 1.00 0.00 C ATOM 157 SG CYS A 10 -0.770 -5.654 -3.380 1.00 0.00 S ATOM 0 H CYS A 10 -2.044 -5.524 -6.335 1.00 0.00 H new ATOM 0 HA CYS A 10 0.811 -5.787 -6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.402 -5.564 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.433 -4.166 -4.848 1.00 0.00 H new ATOM 162 N ASN A 11 -0.923 -7.836 -5.014 1.00 0.00 N ATOM 163 CA ASN A 11 -0.997 -9.273 -4.714 1.00 0.00 C ATOM 164 C ASN A 11 -1.143 -10.142 -5.927 1.00 0.00 C ATOM 165 O ASN A 11 -0.193 -10.406 -6.636 1.00 0.00 O ATOM 166 CB ASN A 11 -2.189 -9.503 -3.768 1.00 0.00 C ATOM 167 CG ASN A 11 -1.860 -8.923 -2.391 1.00 0.00 C ATOM 168 OD1 ASN A 11 -2.053 -7.751 -2.136 1.00 0.00 O ATOM 169 ND2 ASN A 11 -1.361 -9.709 -1.477 1.00 0.00 N ATOM 0 H ASN A 11 -1.635 -7.256 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.051 -9.559 -4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.084 -9.029 -4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.402 -10.569 -3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.135 -9.339 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.197 -10.694 -1.686 1.00 0.00 H new ATOM 176 N ASP A 12 -2.323 -10.550 -6.141 1.00 0.00 N ATOM 177 CA ASP A 12 -2.601 -11.418 -7.296 1.00 0.00 C ATOM 178 C ASP A 12 -4.098 -11.643 -7.421 1.00 0.00 C ATOM 179 O ASP A 12 -4.861 -10.704 -7.374 1.00 0.00 O ATOM 180 CB ASP A 12 -1.917 -12.773 -7.063 1.00 0.00 C ATOM 181 CG ASP A 12 -1.961 -13.592 -8.357 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.753 -12.979 -9.392 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.201 -14.781 -8.236 1.00 0.00 O ATOM 0 H ASP A 12 -3.132 -10.323 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.227 -10.949 -8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.884 -12.623 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.419 -13.313 -6.260 1.00 0.00 H new ATOM 188 N TYR A 13 -4.519 -12.889 -7.564 1.00 0.00 N ATOM 189 CA TYR A 13 -5.980 -13.126 -7.687 1.00 0.00 C ATOM 190 C TYR A 13 -6.720 -12.334 -6.614 1.00 0.00 C ATOM 191 O TYR A 13 -6.697 -12.675 -5.448 1.00 0.00 O ATOM 192 CB TYR A 13 -6.308 -14.608 -7.486 1.00 0.00 C ATOM 193 CG TYR A 13 -5.388 -15.521 -8.328 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.622 -15.734 -9.687 1.00 0.00 C ATOM 195 CD2 TYR A 13 -4.378 -16.236 -7.713 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.872 -16.652 -10.388 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.628 -17.149 -8.424 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.869 -17.364 -9.765 1.00 0.00 C ATOM 199 OH TYR A 13 -3.115 -18.279 -10.472 1.00 0.00 O ATOM 0 H TYR A 13 -3.926 -13.718 -7.599 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.289 -12.812 -8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.205 -14.863 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.348 -14.790 -7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.396 -15.175 -10.192 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.174 -16.078 -6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.072 -16.816 -11.437 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.844 -17.701 -7.926 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.453 -18.688 -9.876 1.00 0.00 H new ATOM 209 N ALA A 14 -7.354 -11.304 -7.037 1.00 0.00 N ATOM 210 CA ALA A 14 -8.109 -10.452 -6.087 1.00 0.00 C ATOM 211 C ALA A 14 -9.236 -11.230 -5.428 1.00 0.00 C ATOM 212 O ALA A 14 -9.918 -12.008 -6.065 1.00 0.00 O ATOM 213 CB ALA A 14 -8.692 -9.293 -6.885 1.00 0.00 C ATOM 0 H ALA A 14 -7.389 -11.003 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.445 -10.100 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.257 -8.641 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.884 -8.727 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.353 -9.681 -7.660 1.00 0.00 H new ATOM 219 N SER A 15 -9.412 -11.004 -4.155 1.00 0.00 N ATOM 220 CA SER A 15 -10.488 -11.718 -3.426 1.00 0.00 C ATOM 221 C SER A 15 -11.820 -11.560 -4.139 1.00 0.00 C ATOM 222 O SER A 15 -12.710 -12.373 -3.987 1.00 0.00 O ATOM 223 CB SER A 15 -10.603 -11.109 -2.020 1.00 0.00 C ATOM 224 OG SER A 15 -9.288 -11.200 -1.493 1.00 0.00 O ATOM 0 H SER A 15 -8.858 -10.358 -3.593 1.00 0.00 H new ATOM 0 HA SER A 15 -10.244 -12.779 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.945 -10.075 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.317 -11.657 -1.406 1.00 0.00 H new ATOM 0 HG SER A 15 -9.272 -10.827 -0.587 1.00 0.00 H new ATOM 230 N GLY A 16 -11.938 -10.510 -4.907 1.00 0.00 N ATOM 231 CA GLY A 16 -13.215 -10.276 -5.646 1.00 0.00 C ATOM 232 C GLY A 16 -13.395 -8.790 -5.939 1.00 0.00 C ATOM 233 O GLY A 16 -12.615 -7.968 -5.506 1.00 0.00 O ATOM 0 H GLY A 16 -11.212 -9.809 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.211 -10.839 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.056 -10.641 -5.057 1.00 0.00 H new ATOM 237 N TYR A 17 -14.418 -8.479 -6.676 1.00 0.00 N ATOM 238 CA TYR A 17 -14.671 -7.056 -7.010 1.00 0.00 C ATOM 239 C TYR A 17 -15.202 -6.307 -5.779 1.00 0.00 C ATOM 240 O TYR A 17 -16.079 -6.788 -5.089 1.00 0.00 O ATOM 241 CB TYR A 17 -15.733 -7.008 -8.165 1.00 0.00 C ATOM 242 CG TYR A 17 -15.243 -6.094 -9.307 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.118 -6.422 -10.036 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.933 -4.941 -9.628 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.691 -5.614 -11.070 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.506 -4.134 -10.661 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.382 -4.464 -11.391 1.00 0.00 C ATOM 248 OH TYR A 17 -13.957 -3.658 -12.426 1.00 0.00 O ATOM 0 H TYR A 17 -15.088 -9.145 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.745 -6.576 -7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.911 -8.014 -8.546 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.684 -6.641 -7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.567 -7.319 -9.795 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.814 -4.670 -9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.809 -5.884 -11.632 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.056 -3.236 -10.901 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.059 -2.717 -12.171 1.00 0.00 H new ATOM 258 N HIS A 18 -14.655 -5.141 -5.533 1.00 0.00 N ATOM 259 CA HIS A 18 -15.106 -4.330 -4.353 1.00 0.00 C ATOM 260 C HIS A 18 -15.306 -2.888 -4.773 1.00 0.00 C ATOM 261 O HIS A 18 -16.371 -2.319 -4.640 1.00 0.00 O ATOM 262 CB HIS A 18 -13.986 -4.355 -3.270 1.00 0.00 C ATOM 263 CG HIS A 18 -13.340 -5.737 -3.199 1.00 0.00 C ATOM 264 ND1 HIS A 18 -12.102 -5.957 -3.267 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.924 -6.973 -3.004 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.848 -7.194 -3.130 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.952 -7.925 -2.957 1.00 0.00 N ATOM 0 H HIS A 18 -13.918 -4.715 -6.095 1.00 0.00 H new ATOM 0 HA HIS A 18 -16.037 -4.745 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.230 -3.605 -3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.406 -4.093 -2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.984 -7.156 -2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.851 -7.608 -3.151 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.043 -8.932 -2.824 1.00 0.00 H new ATOM 275 N TYR A 19 -14.253 -2.347 -5.270 1.00 0.00 N ATOM 276 CA TYR A 19 -14.251 -0.949 -5.733 1.00 0.00 C ATOM 277 C TYR A 19 -14.714 -0.876 -7.201 1.00 0.00 C ATOM 278 O TYR A 19 -15.880 -0.681 -7.482 1.00 0.00 O ATOM 279 CB TYR A 19 -12.773 -0.493 -5.637 1.00 0.00 C ATOM 280 CG TYR A 19 -12.471 0.213 -4.290 1.00 0.00 C ATOM 281 CD1 TYR A 19 -13.197 -0.132 -3.146 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.450 1.220 -4.165 1.00 0.00 C ATOM 283 CE1 TYR A 19 -12.953 0.478 -1.946 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.247 1.804 -2.917 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.990 1.437 -1.823 1.00 0.00 C ATOM 286 OH TYR A 19 -11.761 2.032 -0.602 1.00 0.00 O ATOM 0 H TYR A 19 -13.361 -2.830 -5.380 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.921 -0.325 -5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.119 -1.358 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.548 0.185 -6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.962 -0.892 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.856 1.515 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -13.533 0.195 -1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.487 2.564 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.967 1.634 -0.188 1.00 0.00 H new ATOM 296 N GLY A 20 -13.772 -1.036 -8.100 1.00 0.00 N ATOM 297 CA GLY A 20 -14.107 -0.984 -9.557 1.00 0.00 C ATOM 298 C GLY A 20 -13.099 -1.819 -10.355 1.00 0.00 C ATOM 299 O GLY A 20 -12.984 -1.683 -11.557 1.00 0.00 O ATOM 0 H GLY A 20 -12.788 -1.200 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.116 -1.362 -9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.093 0.049 -9.905 1.00 0.00 H new ATOM 303 N VAL A 21 -12.389 -2.665 -9.659 1.00 0.00 N ATOM 304 CA VAL A 21 -11.378 -3.528 -10.338 1.00 0.00 C ATOM 305 C VAL A 21 -11.074 -4.729 -9.488 1.00 0.00 C ATOM 306 O VAL A 21 -11.261 -4.710 -8.287 1.00 0.00 O ATOM 307 CB VAL A 21 -10.016 -2.747 -10.522 1.00 0.00 C ATOM 308 CG1 VAL A 21 -10.117 -1.787 -11.712 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.647 -1.961 -9.208 1.00 0.00 C ATOM 0 H VAL A 21 -12.465 -2.796 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.791 -3.819 -11.304 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.224 -3.469 -10.721 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.174 -1.254 -11.830 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.330 -2.353 -12.619 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.919 -1.071 -11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.707 -1.430 -9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.436 -1.245 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.542 -2.663 -8.381 1.00 0.00 H new ATOM 319 N TRP A 22 -10.615 -5.753 -10.115 1.00 0.00 N ATOM 320 CA TRP A 22 -10.290 -6.961 -9.342 1.00 0.00 C ATOM 321 C TRP A 22 -9.107 -6.608 -8.459 1.00 0.00 C ATOM 322 O TRP A 22 -7.983 -6.898 -8.789 1.00 0.00 O ATOM 323 CB TRP A 22 -9.895 -8.090 -10.321 1.00 0.00 C ATOM 324 CG TRP A 22 -11.061 -8.366 -11.271 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.139 -7.882 -12.492 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.120 -9.082 -10.975 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.322 -8.336 -12.942 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.011 -9.112 -12.032 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.418 -9.764 -9.811 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.190 -9.819 -11.927 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.601 -10.471 -9.708 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.486 -10.497 -10.766 1.00 0.00 C ATOM 0 H TRP A 22 -10.451 -5.809 -11.120 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.136 -7.297 -8.742 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.009 -7.802 -10.888 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.640 -8.994 -9.768 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.421 -7.265 -13.011 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.679 -8.125 -13.874 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.726 -9.745 -8.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.882 -9.841 -12.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.833 -11.004 -8.798 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.411 -11.049 -10.683 1.00 0.00 H new ATOM 343 N SER A 23 -9.395 -5.956 -7.345 1.00 0.00 N ATOM 344 CA SER A 23 -8.302 -5.547 -6.397 1.00 0.00 C ATOM 345 C SER A 23 -8.287 -6.383 -5.125 1.00 0.00 C ATOM 346 O SER A 23 -9.307 -6.853 -4.678 1.00 0.00 O ATOM 347 CB SER A 23 -8.543 -4.060 -6.014 1.00 0.00 C ATOM 348 OG SER A 23 -9.484 -3.599 -6.970 1.00 0.00 O ATOM 0 H SER A 23 -10.337 -5.692 -7.056 1.00 0.00 H new ATOM 0 HA SER A 23 -7.343 -5.696 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.930 -3.969 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.619 -3.484 -6.056 1.00 0.00 H new ATOM 0 HG SER A 23 -9.628 -2.637 -6.850 1.00 0.00 H new ATOM 354 N CYS A 24 -7.118 -6.531 -4.554 1.00 0.00 N ATOM 355 CA CYS A 24 -7.019 -7.334 -3.303 1.00 0.00 C ATOM 356 C CYS A 24 -7.534 -6.515 -2.120 1.00 0.00 C ATOM 357 O CYS A 24 -7.367 -5.313 -2.078 1.00 0.00 O ATOM 358 CB CYS A 24 -5.541 -7.714 -3.055 1.00 0.00 C ATOM 359 SG CYS A 24 -4.453 -6.506 -2.240 1.00 0.00 S ATOM 0 H CYS A 24 -6.242 -6.136 -4.895 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.621 -8.237 -3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.530 -8.625 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.097 -7.961 -4.019 1.00 0.00 H new ATOM 364 N GLU A 25 -8.148 -7.176 -1.184 1.00 0.00 N ATOM 365 CA GLU A 25 -8.680 -6.443 0.000 1.00 0.00 C ATOM 366 C GLU A 25 -7.621 -5.546 0.634 1.00 0.00 C ATOM 367 O GLU A 25 -7.825 -4.359 0.791 1.00 0.00 O ATOM 368 CB GLU A 25 -9.136 -7.475 1.041 1.00 0.00 C ATOM 369 CG GLU A 25 -9.997 -6.777 2.094 1.00 0.00 C ATOM 370 CD GLU A 25 -10.171 -7.702 3.300 1.00 0.00 C ATOM 371 OE1 GLU A 25 -9.313 -7.629 4.165 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.150 -8.429 3.288 1.00 0.00 O ATOM 0 H GLU A 25 -8.305 -8.184 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.506 -5.812 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.704 -8.270 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.271 -7.942 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.528 -5.843 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.970 -6.522 1.674 1.00 0.00 H new ATOM 379 N GLY A 26 -6.515 -6.129 0.986 1.00 0.00 N ATOM 380 CA GLY A 26 -5.420 -5.325 1.618 1.00 0.00 C ATOM 381 C GLY A 26 -5.236 -3.976 0.915 1.00 0.00 C ATOM 382 O GLY A 26 -5.008 -2.970 1.557 1.00 0.00 O ATOM 0 H GLY A 26 -6.315 -7.122 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.650 -5.160 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.487 -5.887 1.580 1.00 0.00 H new ATOM 386 N CYS A 27 -5.333 -3.975 -0.385 1.00 0.00 N ATOM 387 CA CYS A 27 -5.163 -2.696 -1.112 1.00 0.00 C ATOM 388 C CYS A 27 -6.324 -1.760 -0.818 1.00 0.00 C ATOM 389 O CYS A 27 -6.147 -0.766 -0.166 1.00 0.00 O ATOM 390 CB CYS A 27 -5.075 -2.997 -2.620 1.00 0.00 C ATOM 391 SG CYS A 27 -3.417 -3.224 -3.286 1.00 0.00 S ATOM 0 H CYS A 27 -5.520 -4.793 -0.965 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.248 -2.202 -0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.653 -3.898 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.554 -2.181 -3.161 1.00 0.00 H new ATOM 396 N LYS A 28 -7.492 -2.099 -1.316 1.00 0.00 N ATOM 397 CA LYS A 28 -8.705 -1.234 -1.073 1.00 0.00 C ATOM 398 C LYS A 28 -8.652 -0.646 0.336 1.00 0.00 C ATOM 399 O LYS A 28 -9.184 0.398 0.582 1.00 0.00 O ATOM 400 CB LYS A 28 -9.961 -2.162 -1.238 1.00 0.00 C ATOM 401 CG LYS A 28 -11.207 -1.590 -0.486 1.00 0.00 C ATOM 402 CD LYS A 28 -11.344 -2.249 0.903 1.00 0.00 C ATOM 403 CE LYS A 28 -12.628 -1.749 1.569 1.00 0.00 C ATOM 404 NZ LYS A 28 -12.928 -2.547 2.791 1.00 0.00 N ATOM 0 H LYS A 28 -7.662 -2.933 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.746 -0.401 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.195 -2.273 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.731 -3.157 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.109 -0.510 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.108 -1.770 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.370 -3.334 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.480 -2.006 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.522 -0.697 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.460 -1.820 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.802 -2.194 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.050 -3.547 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.141 -2.458 3.466 1.00 0.00 H new ATOM 418 N ALA A 29 -7.997 -1.343 1.232 1.00 0.00 N ATOM 419 CA ALA A 29 -7.896 -0.837 2.625 1.00 0.00 C ATOM 420 C ALA A 29 -6.807 0.233 2.698 1.00 0.00 C ATOM 421 O ALA A 29 -6.996 1.288 3.271 1.00 0.00 O ATOM 422 CB ALA A 29 -7.517 -2.018 3.548 1.00 0.00 C ATOM 0 H ALA A 29 -7.533 -2.234 1.056 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.846 -0.405 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.438 -1.665 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.285 -2.789 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.560 -2.434 3.233 1.00 0.00 H new ATOM 428 N PHE A 30 -5.687 -0.072 2.107 1.00 0.00 N ATOM 429 CA PHE A 30 -4.549 0.891 2.104 1.00 0.00 C ATOM 430 C PHE A 30 -4.890 2.059 1.232 1.00 0.00 C ATOM 431 O PHE A 30 -4.652 3.202 1.568 1.00 0.00 O ATOM 432 CB PHE A 30 -3.335 0.160 1.476 1.00 0.00 C ATOM 433 CG PHE A 30 -2.211 1.159 1.086 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.304 1.909 -0.091 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.080 1.297 1.878 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.278 2.773 -0.456 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.063 2.162 1.503 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.168 2.896 0.343 1.00 0.00 C ATOM 0 H PHE A 30 -5.509 -0.952 1.623 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.336 1.237 3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.944 -0.572 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.657 -0.390 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.177 1.816 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.991 0.728 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.354 3.347 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.815 2.260 2.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.626 3.571 0.060 1.00 0.00 H new ATOM 448 N PHE A 31 -5.443 1.737 0.129 1.00 0.00 N ATOM 449 CA PHE A 31 -5.829 2.759 -0.825 1.00 0.00 C ATOM 450 C PHE A 31 -6.880 3.721 -0.232 1.00 0.00 C ATOM 451 O PHE A 31 -6.868 4.889 -0.540 1.00 0.00 O ATOM 452 CB PHE A 31 -6.393 2.013 -2.050 1.00 0.00 C ATOM 453 CG PHE A 31 -6.749 2.998 -3.161 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.817 3.867 -3.647 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.021 3.039 -3.656 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.151 4.777 -4.605 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.381 3.959 -4.618 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.438 4.831 -5.100 1.00 0.00 C ATOM 0 H PHE A 31 -5.649 0.780 -0.158 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.974 3.378 -1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.659 1.294 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.278 1.446 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.806 3.834 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.757 2.340 -3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.403 5.461 -4.979 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.395 3.993 -4.988 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.700 5.553 -5.859 1.00 0.00 H new ATOM 468 N LYS A 32 -7.744 3.216 0.636 1.00 0.00 N ATOM 469 CA LYS A 32 -8.795 4.116 1.249 1.00 0.00 C ATOM 470 C LYS A 32 -8.176 5.131 2.205 1.00 0.00 C ATOM 471 O LYS A 32 -8.723 6.191 2.433 1.00 0.00 O ATOM 472 CB LYS A 32 -9.820 3.240 2.051 1.00 0.00 C ATOM 473 CG LYS A 32 -11.245 3.789 1.858 1.00 0.00 C ATOM 474 CD LYS A 32 -12.246 2.830 2.508 1.00 0.00 C ATOM 475 CE LYS A 32 -13.665 3.228 2.092 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.665 2.312 2.709 1.00 0.00 N ATOM 0 H LYS A 32 -7.768 2.243 0.941 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.288 4.655 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.771 2.205 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.561 3.241 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.330 4.780 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.465 3.898 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.038 1.805 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.149 2.864 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.866 4.255 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.755 3.196 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.622 2.595 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.482 1.337 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.590 2.363 3.745 1.00 0.00 H new ATOM 490 N ARG A 33 -7.052 4.785 2.740 1.00 0.00 N ATOM 491 CA ARG A 33 -6.373 5.703 3.690 1.00 0.00 C ATOM 492 C ARG A 33 -5.544 6.774 2.990 1.00 0.00 C ATOM 493 O ARG A 33 -5.086 7.704 3.624 1.00 0.00 O ATOM 494 CB ARG A 33 -5.421 4.849 4.515 1.00 0.00 C ATOM 495 CG ARG A 33 -4.856 5.679 5.676 1.00 0.00 C ATOM 496 CD ARG A 33 -4.215 4.740 6.711 1.00 0.00 C ATOM 497 NE ARG A 33 -5.295 4.155 7.577 1.00 0.00 N ATOM 498 CZ ARG A 33 -5.799 2.979 7.287 1.00 0.00 C ATOM 499 NH1 ARG A 33 -4.992 2.015 6.935 1.00 0.00 N ATOM 500 NH2 ARG A 33 -7.091 2.811 7.360 1.00 0.00 N ATOM 0 H ARG A 33 -6.568 3.905 2.564 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.133 6.211 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.944 3.974 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.608 4.483 3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.116 6.388 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.651 6.262 6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.664 3.945 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.498 5.287 7.322 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.635 4.671 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.987 2.183 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.367 1.094 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.691 3.587 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.501 1.904 7.138 1.00 0.00 H new ATOM 514 N SER A 34 -5.361 6.634 1.698 1.00 0.00 N ATOM 515 CA SER A 34 -4.541 7.661 0.950 1.00 0.00 C ATOM 516 C SER A 34 -5.189 8.169 -0.348 1.00 0.00 C ATOM 517 O SER A 34 -4.568 8.927 -1.067 1.00 0.00 O ATOM 518 CB SER A 34 -3.238 6.956 0.570 1.00 0.00 C ATOM 519 OG SER A 34 -2.238 7.956 0.698 1.00 0.00 O ATOM 0 H SER A 34 -5.733 5.871 1.132 1.00 0.00 H new ATOM 0 HA SER A 34 -4.421 8.532 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.039 6.110 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.280 6.566 -0.447 1.00 0.00 H new ATOM 0 HG SER A 34 -1.382 7.535 0.922 1.00 0.00 H new ATOM 525 N ILE A 35 -6.382 7.738 -0.640 1.00 0.00 N ATOM 526 CA ILE A 35 -7.049 8.222 -1.921 1.00 0.00 C ATOM 527 C ILE A 35 -6.701 9.669 -2.234 1.00 0.00 C ATOM 528 O ILE A 35 -6.350 10.433 -1.363 1.00 0.00 O ATOM 529 CB ILE A 35 -8.587 8.091 -1.855 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.001 6.745 -1.253 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.150 8.185 -3.311 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.758 5.604 -2.274 1.00 0.00 C ATOM 0 H ILE A 35 -6.929 7.088 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.665 7.580 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.983 8.887 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.432 6.555 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.054 6.773 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.236 8.095 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.875 9.146 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.732 7.380 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.056 4.652 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.346 5.789 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.700 5.568 -2.534 1.00 0.00 H new ATOM 544 N GLN A 36 -6.809 9.997 -3.497 1.00 0.00 N ATOM 545 CA GLN A 36 -6.495 11.370 -3.953 1.00 0.00 C ATOM 546 C GLN A 36 -5.011 11.609 -3.815 1.00 0.00 C ATOM 547 O GLN A 36 -4.397 11.194 -2.852 1.00 0.00 O ATOM 548 CB GLN A 36 -7.251 12.420 -3.130 1.00 0.00 C ATOM 549 CG GLN A 36 -8.716 11.989 -2.965 1.00 0.00 C ATOM 550 CD GLN A 36 -9.554 13.199 -2.542 1.00 0.00 C ATOM 551 OE1 GLN A 36 -9.182 13.949 -1.662 1.00 0.00 O ATOM 552 NE2 GLN A 36 -10.690 13.424 -3.144 1.00 0.00 N ATOM 0 H GLN A 36 -7.106 9.358 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.804 11.464 -4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.783 12.536 -2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.200 13.390 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.094 11.579 -3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.793 11.199 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.008 12.798 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.260 14.226 -2.875 1.00 0.00 H new ATOM 561 N GLY A 37 -4.463 12.286 -4.757 1.00 0.00 N ATOM 562 CA GLY A 37 -3.003 12.556 -4.694 1.00 0.00 C ATOM 563 C GLY A 37 -2.695 13.594 -3.608 1.00 0.00 C ATOM 564 O GLY A 37 -2.674 14.781 -3.867 1.00 0.00 O ATOM 0 H GLY A 37 -4.949 12.668 -5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.465 11.631 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.652 12.917 -5.661 1.00 0.00 H new ATOM 568 N HIS A 38 -2.464 13.122 -2.417 1.00 0.00 N ATOM 569 CA HIS A 38 -2.156 14.058 -1.301 1.00 0.00 C ATOM 570 C HIS A 38 -1.571 13.299 -0.120 1.00 0.00 C ATOM 571 O HIS A 38 -2.257 13.022 0.845 1.00 0.00 O ATOM 572 CB HIS A 38 -3.462 14.735 -0.858 1.00 0.00 C ATOM 573 CG HIS A 38 -3.132 15.943 0.022 1.00 0.00 C ATOM 574 ND1 HIS A 38 -2.327 15.934 0.977 1.00 0.00 N ATOM 575 CD2 HIS A 38 -3.618 17.236 -0.037 1.00 0.00 C ATOM 576 CE1 HIS A 38 -2.247 17.073 1.529 1.00 0.00 C ATOM 577 NE2 HIS A 38 -3.038 17.976 0.948 1.00 0.00 N ATOM 0 H HIS A 38 -2.475 12.133 -2.168 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.432 14.798 -1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.035 15.051 -1.730 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.083 14.028 -0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.342 17.601 -0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.610 17.288 2.374 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.173 18.960 1.180 1.00 0.00 H new ATOM 585 N ASN A 39 -0.310 12.978 -0.215 1.00 0.00 N ATOM 586 CA ASN A 39 0.345 12.234 0.890 1.00 0.00 C ATOM 587 C ASN A 39 1.858 12.416 0.852 1.00 0.00 C ATOM 588 O ASN A 39 2.430 12.660 -0.192 1.00 0.00 O ATOM 589 CB ASN A 39 0.044 10.760 0.708 1.00 0.00 C ATOM 590 CG ASN A 39 -1.455 10.540 0.652 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.094 10.733 -0.364 1.00 0.00 O ATOM 592 ND2 ASN A 39 -2.053 10.134 1.728 1.00 0.00 N ATOM 0 H ASN A 39 0.291 13.199 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.032 12.610 1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.508 10.396 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.473 10.188 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.061 9.976 1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.516 9.972 2.580 1.00 0.00 H new ATOM 599 N ASP A 40 2.483 12.295 1.998 1.00 0.00 N ATOM 600 CA ASP A 40 3.965 12.457 2.052 1.00 0.00 C ATOM 601 C ASP A 40 4.629 11.175 1.695 1.00 0.00 C ATOM 602 O ASP A 40 5.802 10.969 1.918 1.00 0.00 O ATOM 603 CB ASP A 40 4.350 12.809 3.470 1.00 0.00 C ATOM 604 CG ASP A 40 3.767 14.175 3.838 1.00 0.00 C ATOM 605 OD1 ASP A 40 2.811 14.551 3.180 1.00 0.00 O ATOM 606 OD2 ASP A 40 4.312 14.766 4.756 1.00 0.00 O ATOM 0 H ASP A 40 2.033 12.093 2.891 1.00 0.00 H new ATOM 0 HA ASP A 40 4.273 13.235 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.980 12.048 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.435 12.827 3.569 1.00 0.00 H new ATOM 611 N TYR A 41 3.850 10.360 1.164 1.00 0.00 N ATOM 612 CA TYR A 41 4.313 9.007 0.727 1.00 0.00 C ATOM 613 C TYR A 41 5.654 9.056 -0.038 1.00 0.00 C ATOM 614 O TYR A 41 6.689 9.325 0.535 1.00 0.00 O ATOM 615 CB TYR A 41 3.226 8.419 -0.202 1.00 0.00 C ATOM 616 CG TYR A 41 2.033 7.875 0.583 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.766 8.258 1.888 1.00 0.00 C ATOM 618 CD2 TYR A 41 1.182 6.998 -0.044 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.669 7.779 2.543 1.00 0.00 C ATOM 620 CE2 TYR A 41 0.063 6.500 0.618 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.193 6.891 1.928 1.00 0.00 C ATOM 622 OH TYR A 41 -1.266 6.383 2.621 1.00 0.00 O ATOM 0 H TYR A 41 2.862 10.545 0.990 1.00 0.00 H new ATOM 0 HA TYR A 41 4.472 8.393 1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.884 9.190 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.658 7.620 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.433 8.942 2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.383 6.692 -1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.472 8.098 3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.603 5.813 0.117 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.566 7.038 3.286 1.00 0.00 H new ATOM 632 N MET A 42 5.597 8.793 -1.323 1.00 0.00 N ATOM 633 CA MET A 42 6.835 8.812 -2.136 1.00 0.00 C ATOM 634 C MET A 42 7.836 7.794 -1.577 1.00 0.00 C ATOM 635 O MET A 42 7.872 7.539 -0.392 1.00 0.00 O ATOM 636 CB MET A 42 7.457 10.247 -2.082 1.00 0.00 C ATOM 637 CG MET A 42 7.784 10.735 -3.504 1.00 0.00 C ATOM 638 SD MET A 42 6.418 10.821 -4.689 1.00 0.00 S ATOM 639 CE MET A 42 7.396 11.340 -6.123 1.00 0.00 C ATOM 0 H MET A 42 4.744 8.567 -1.835 1.00 0.00 H new ATOM 0 HA MET A 42 6.601 8.551 -3.168 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.761 10.936 -1.604 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.363 10.237 -1.475 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.226 11.729 -3.426 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.549 10.078 -3.918 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.742 11.457 -6.987 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.883 12.291 -5.906 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.152 10.586 -6.340 1.00 0.00 H new ATOM 649 N CYS A 43 8.621 7.229 -2.442 1.00 0.00 N ATOM 650 CA CYS A 43 9.625 6.226 -1.975 1.00 0.00 C ATOM 651 C CYS A 43 10.916 6.962 -1.516 1.00 0.00 C ATOM 652 O CYS A 43 11.101 8.125 -1.822 1.00 0.00 O ATOM 653 CB CYS A 43 9.915 5.240 -3.157 1.00 0.00 C ATOM 654 SG CYS A 43 9.448 3.500 -2.897 1.00 0.00 S ATOM 0 H CYS A 43 8.617 7.412 -3.446 1.00 0.00 H new ATOM 0 HA CYS A 43 9.247 5.659 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.393 5.605 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.982 5.277 -3.379 1.00 0.00 H new ATOM 659 N PRO A 44 11.787 6.267 -0.786 1.00 0.00 N ATOM 660 CA PRO A 44 13.035 6.876 -0.301 1.00 0.00 C ATOM 661 C PRO A 44 13.858 7.526 -1.426 1.00 0.00 C ATOM 662 O PRO A 44 14.730 8.329 -1.162 1.00 0.00 O ATOM 663 CB PRO A 44 13.833 5.698 0.347 1.00 0.00 C ATOM 664 CG PRO A 44 12.908 4.433 0.303 1.00 0.00 C ATOM 665 CD PRO A 44 11.597 4.847 -0.422 1.00 0.00 C ATOM 0 HA PRO A 44 12.821 7.683 0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.760 5.516 -0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.108 5.938 1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.399 3.616 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.694 4.077 1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.426 4.233 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.731 4.719 0.227 1.00 0.00 H new ATOM 673 N ALA A 45 13.575 7.174 -2.645 1.00 0.00 N ATOM 674 CA ALA A 45 14.346 7.776 -3.760 1.00 0.00 C ATOM 675 C ALA A 45 13.722 7.441 -5.034 1.00 0.00 C ATOM 676 O ALA A 45 13.963 8.074 -6.043 1.00 0.00 O ATOM 677 CB ALA A 45 15.738 7.180 -3.742 1.00 0.00 C ATOM 0 H ALA A 45 12.854 6.505 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 45 14.376 8.859 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.327 7.607 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.217 7.404 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.673 6.100 -3.870 1.00 0.00 H new ATOM 683 N THR A 46 12.960 6.428 -4.993 1.00 0.00 N ATOM 684 CA THR A 46 12.280 6.006 -6.203 1.00 0.00 C ATOM 685 C THR A 46 13.299 5.764 -7.327 1.00 0.00 C ATOM 686 O THR A 46 13.207 6.321 -8.399 1.00 0.00 O ATOM 687 CB THR A 46 11.288 7.138 -6.589 1.00 0.00 C ATOM 688 OG1 THR A 46 10.156 6.917 -5.777 1.00 0.00 O ATOM 689 CG2 THR A 46 10.751 6.982 -8.033 1.00 0.00 C ATOM 0 H THR A 46 12.774 5.864 -4.163 1.00 0.00 H new ATOM 0 HA THR A 46 11.744 5.070 -6.045 1.00 0.00 H new ATOM 0 HB THR A 46 11.787 8.101 -6.483 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.480 7.601 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.062 7.797 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 46 11.584 7.009 -8.736 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.229 6.030 -8.126 1.00 0.00 H new ATOM 697 N ASN A 47 14.273 4.932 -7.038 1.00 0.00 N ATOM 698 CA ASN A 47 15.319 4.623 -8.055 1.00 0.00 C ATOM 699 C ASN A 47 14.983 3.327 -8.758 1.00 0.00 C ATOM 700 O ASN A 47 15.830 2.480 -8.945 1.00 0.00 O ATOM 701 CB ASN A 47 16.665 4.463 -7.336 1.00 0.00 C ATOM 702 CG ASN A 47 17.160 5.838 -6.886 1.00 0.00 C ATOM 703 OD1 ASN A 47 16.713 6.859 -7.370 1.00 0.00 O ATOM 704 ND2 ASN A 47 18.080 5.910 -5.965 1.00 0.00 N ATOM 0 H ASN A 47 14.385 4.457 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 47 15.369 5.429 -8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.555 3.803 -6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.394 4.000 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.421 6.820 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.459 5.056 -5.555 1.00 0.00 H new ATOM 711 N GLN A 48 13.729 3.205 -9.122 1.00 0.00 N ATOM 712 CA GLN A 48 13.242 1.977 -9.829 1.00 0.00 C ATOM 713 C GLN A 48 12.873 0.893 -8.824 1.00 0.00 C ATOM 714 O GLN A 48 13.729 0.295 -8.201 1.00 0.00 O ATOM 715 CB GLN A 48 14.344 1.443 -10.792 1.00 0.00 C ATOM 716 CG GLN A 48 13.680 0.713 -11.965 1.00 0.00 C ATOM 717 CD GLN A 48 14.734 -0.112 -12.713 1.00 0.00 C ATOM 718 OE1 GLN A 48 14.419 -1.049 -13.419 1.00 0.00 O ATOM 719 NE2 GLN A 48 15.994 0.205 -12.584 1.00 0.00 N ATOM 0 H GLN A 48 13.013 3.913 -8.957 1.00 0.00 H new ATOM 0 HA GLN A 48 12.355 2.240 -10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.953 2.269 -11.160 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.013 0.767 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.885 0.063 -11.600 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.218 1.433 -12.641 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.264 0.991 -11.993 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.708 -0.333 -13.075 1.00 0.00 H new ATOM 728 N CYS A 49 11.599 0.663 -8.691 1.00 0.00 N ATOM 729 CA CYS A 49 11.130 -0.374 -7.739 1.00 0.00 C ATOM 730 C CYS A 49 9.717 -0.813 -8.099 1.00 0.00 C ATOM 731 O CYS A 49 8.842 0.005 -8.312 1.00 0.00 O ATOM 732 CB CYS A 49 11.137 0.229 -6.312 1.00 0.00 C ATOM 733 SG CYS A 49 10.679 1.977 -6.134 1.00 0.00 S ATOM 0 H CYS A 49 10.862 1.150 -9.202 1.00 0.00 H new ATOM 0 HA CYS A 49 11.789 -1.241 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.458 -0.360 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.137 0.100 -5.898 1.00 0.00 H new ATOM 738 N THR A 50 9.520 -2.103 -8.165 1.00 0.00 N ATOM 739 CA THR A 50 8.171 -2.632 -8.512 1.00 0.00 C ATOM 740 C THR A 50 7.372 -2.949 -7.257 1.00 0.00 C ATOM 741 O THR A 50 7.909 -2.982 -6.167 1.00 0.00 O ATOM 742 CB THR A 50 8.357 -3.922 -9.314 1.00 0.00 C ATOM 743 OG1 THR A 50 8.882 -3.512 -10.559 1.00 0.00 O ATOM 744 CG2 THR A 50 7.001 -4.554 -9.657 1.00 0.00 C ATOM 0 H THR A 50 10.234 -2.811 -7.994 1.00 0.00 H new ATOM 0 HA THR A 50 7.630 -1.881 -9.088 1.00 0.00 H new ATOM 0 HB THR A 50 8.972 -4.623 -8.750 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.028 -4.297 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.160 -5.469 -10.227 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.465 -4.788 -8.737 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.413 -3.854 -10.251 1.00 0.00 H new ATOM 752 N ILE A 51 6.088 -3.176 -7.440 1.00 0.00 N ATOM 753 CA ILE A 51 5.197 -3.499 -6.276 1.00 0.00 C ATOM 754 C ILE A 51 4.747 -4.963 -6.364 1.00 0.00 C ATOM 755 O ILE A 51 4.307 -5.419 -7.400 1.00 0.00 O ATOM 756 CB ILE A 51 3.967 -2.511 -6.347 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.140 -1.383 -5.321 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.626 -3.249 -6.062 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.797 -1.877 -3.891 1.00 0.00 C ATOM 0 H ILE A 51 5.620 -3.151 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 51 5.715 -3.376 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 51 3.933 -2.101 -7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.166 -1.017 -5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.496 -0.544 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.801 -2.539 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.479 -4.036 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.658 -3.689 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.928 -1.059 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.763 -2.220 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.459 -2.700 -3.622 1.00 0.00 H new ATOM 771 N ASP A 52 4.870 -5.676 -5.263 1.00 0.00 N ATOM 772 CA ASP A 52 4.456 -7.113 -5.259 1.00 0.00 C ATOM 773 C ASP A 52 3.783 -7.494 -3.941 1.00 0.00 C ATOM 774 O ASP A 52 3.150 -6.676 -3.302 1.00 0.00 O ATOM 775 CB ASP A 52 5.720 -7.976 -5.442 1.00 0.00 C ATOM 776 CG ASP A 52 6.610 -7.854 -4.200 1.00 0.00 C ATOM 777 OD1 ASP A 52 7.017 -6.736 -3.931 1.00 0.00 O ATOM 778 OD2 ASP A 52 6.833 -8.888 -3.590 1.00 0.00 O ATOM 0 H ASP A 52 5.236 -5.325 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 52 3.742 -7.278 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.441 -9.018 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.268 -7.654 -6.327 1.00 0.00 H new ATOM 783 N LYS A 53 3.938 -8.736 -3.559 1.00 0.00 N ATOM 784 CA LYS A 53 3.318 -9.203 -2.288 1.00 0.00 C ATOM 785 C LYS A 53 4.169 -8.827 -1.077 1.00 0.00 C ATOM 786 O LYS A 53 5.319 -9.208 -0.981 1.00 0.00 O ATOM 787 CB LYS A 53 3.211 -10.740 -2.348 1.00 0.00 C ATOM 788 CG LYS A 53 2.064 -11.133 -3.280 1.00 0.00 C ATOM 789 CD LYS A 53 2.191 -12.616 -3.638 1.00 0.00 C ATOM 790 CE LYS A 53 1.016 -13.017 -4.529 1.00 0.00 C ATOM 791 NZ LYS A 53 -0.253 -13.023 -3.747 1.00 0.00 N ATOM 0 H LYS A 53 4.465 -9.443 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 53 2.341 -8.731 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.148 -11.167 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.038 -11.143 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.106 -10.944 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.090 -10.525 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.134 -12.799 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.200 -13.222 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.932 -12.322 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.194 -14.005 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.982 -13.547 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.092 -13.482 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.572 -12.045 -3.595 1.00 0.00 H new ATOM 805 N ASN A 54 3.584 -8.080 -0.172 1.00 0.00 N ATOM 806 CA ASN A 54 4.329 -7.669 1.037 1.00 0.00 C ATOM 807 C ASN A 54 3.348 -7.382 2.165 1.00 0.00 C ATOM 808 O ASN A 54 2.912 -8.284 2.851 1.00 0.00 O ATOM 809 CB ASN A 54 5.116 -6.386 0.715 1.00 0.00 C ATOM 810 CG ASN A 54 6.295 -6.733 -0.199 1.00 0.00 C ATOM 811 OD1 ASN A 54 6.188 -6.692 -1.409 1.00 0.00 O ATOM 812 ND2 ASN A 54 7.435 -7.077 0.337 1.00 0.00 N ATOM 0 H ASN A 54 2.623 -7.742 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 54 5.010 -8.464 1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.466 -5.659 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.477 -5.926 1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.229 -7.309 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.531 -7.113 1.352 1.00 0.00 H new ATOM 819 N ARG A 55 2.998 -6.134 2.308 1.00 0.00 N ATOM 820 CA ARG A 55 2.043 -5.742 3.382 1.00 0.00 C ATOM 821 C ARG A 55 1.721 -4.263 3.295 1.00 0.00 C ATOM 822 O ARG A 55 0.727 -3.866 2.722 1.00 0.00 O ATOM 823 CB ARG A 55 2.672 -6.058 4.772 1.00 0.00 C ATOM 824 CG ARG A 55 1.597 -5.896 5.854 1.00 0.00 C ATOM 825 CD ARG A 55 2.266 -5.857 7.230 1.00 0.00 C ATOM 826 NE ARG A 55 1.219 -5.652 8.270 1.00 0.00 N ATOM 827 CZ ARG A 55 1.530 -5.789 9.531 1.00 0.00 C ATOM 828 NH1 ARG A 55 2.785 -5.725 9.880 1.00 0.00 N ATOM 829 NH2 ARG A 55 0.575 -5.983 10.399 1.00 0.00 N ATOM 0 H ARG A 55 3.333 -5.367 1.726 1.00 0.00 H new ATOM 0 HA ARG A 55 1.120 -6.307 3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.068 -7.073 4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.508 -5.387 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.031 -4.980 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.888 -6.722 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.803 -6.787 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.000 -5.052 7.270 1.00 0.00 H new ATOM 0 HE ARG A 55 0.267 -5.407 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.504 -5.570 9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.048 -5.830 10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.396 -6.026 10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.799 -6.092 11.388 1.00 0.00 H new ATOM 843 N ARG A 56 2.566 -3.495 3.854 1.00 0.00 N ATOM 844 CA ARG A 56 2.370 -2.023 3.841 1.00 0.00 C ATOM 845 C ARG A 56 3.596 -1.317 4.419 1.00 0.00 C ATOM 846 O ARG A 56 3.497 -0.226 4.947 1.00 0.00 O ATOM 847 CB ARG A 56 1.135 -1.680 4.709 1.00 0.00 C ATOM 848 CG ARG A 56 1.449 -1.960 6.187 1.00 0.00 C ATOM 849 CD ARG A 56 0.141 -2.003 6.983 1.00 0.00 C ATOM 850 NE ARG A 56 0.463 -2.094 8.442 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.400 -1.655 9.325 1.00 0.00 C ATOM 852 NH1 ARG A 56 -1.674 -1.816 9.096 1.00 0.00 N ATOM 853 NH2 ARG A 56 0.045 -1.068 10.403 1.00 0.00 N ATOM 0 H ARG A 56 3.408 -3.813 4.334 1.00 0.00 H new ATOM 0 HA ARG A 56 2.222 -1.690 2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.865 -0.632 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.278 -2.273 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.979 -2.907 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.105 -1.185 6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.451 -1.110 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.459 -2.859 6.675 1.00 0.00 H new ATOM 0 HE ARG A 56 1.350 -2.496 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.984 -2.277 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.360 -1.481 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.049 -0.958 10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.611 -0.720 11.102 1.00 0.00 H new ATOM 867 N LYS A 57 4.740 -1.960 4.303 1.00 0.00 N ATOM 868 CA LYS A 57 6.003 -1.353 4.837 1.00 0.00 C ATOM 869 C LYS A 57 7.139 -1.507 3.834 1.00 0.00 C ATOM 870 O LYS A 57 8.162 -2.091 4.133 1.00 0.00 O ATOM 871 CB LYS A 57 6.389 -2.094 6.132 1.00 0.00 C ATOM 872 CG LYS A 57 7.478 -1.294 6.871 1.00 0.00 C ATOM 873 CD LYS A 57 8.200 -2.214 7.862 1.00 0.00 C ATOM 874 CE LYS A 57 7.173 -2.823 8.815 1.00 0.00 C ATOM 875 NZ LYS A 57 6.231 -1.776 9.299 1.00 0.00 N ATOM 0 H LYS A 57 4.851 -2.874 3.864 1.00 0.00 H new ATOM 0 HA LYS A 57 5.837 -0.292 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.514 -2.214 6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.753 -3.094 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.190 -0.881 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.031 -0.452 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.730 -3.002 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.947 -1.651 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.620 -3.613 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.681 -3.284 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.873 -2.039 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.727 -0.864 9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.434 -1.693 8.636 1.00 0.00 H new ATOM 889 N SER A 58 6.936 -0.982 2.659 1.00 0.00 N ATOM 890 CA SER A 58 7.991 -1.084 1.616 1.00 0.00 C ATOM 891 C SER A 58 7.776 -0.025 0.545 1.00 0.00 C ATOM 892 O SER A 58 8.232 1.094 0.677 1.00 0.00 O ATOM 893 CB SER A 58 7.901 -2.474 0.965 1.00 0.00 C ATOM 894 OG SER A 58 8.310 -3.366 1.990 1.00 0.00 O ATOM 0 H SER A 58 6.089 -0.489 2.377 1.00 0.00 H new ATOM 0 HA SER A 58 8.969 -0.934 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.887 -2.691 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.549 -2.547 0.091 1.00 0.00 H new ATOM 0 HG SER A 58 8.754 -2.862 2.704 1.00 0.00 H new ATOM 900 N CYS A 59 7.082 -0.399 -0.502 1.00 0.00 N ATOM 901 CA CYS A 59 6.814 0.563 -1.605 1.00 0.00 C ATOM 902 C CYS A 59 5.384 1.099 -1.451 1.00 0.00 C ATOM 903 O CYS A 59 4.587 1.088 -2.368 1.00 0.00 O ATOM 904 CB CYS A 59 6.985 -0.218 -2.950 1.00 0.00 C ATOM 905 SG CYS A 59 8.492 0.075 -3.914 1.00 0.00 S ATOM 0 H CYS A 59 6.691 -1.331 -0.636 1.00 0.00 H new ATOM 0 HA CYS A 59 7.498 1.411 -1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.932 -1.284 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.131 0.018 -3.585 1.00 0.00 H new ATOM 910 N GLN A 60 5.107 1.562 -0.276 1.00 0.00 N ATOM 911 CA GLN A 60 3.761 2.107 0.006 1.00 0.00 C ATOM 912 C GLN A 60 3.382 3.189 -0.986 1.00 0.00 C ATOM 913 O GLN A 60 2.280 3.215 -1.478 1.00 0.00 O ATOM 914 CB GLN A 60 3.770 2.710 1.424 1.00 0.00 C ATOM 915 CG GLN A 60 3.764 1.576 2.455 1.00 0.00 C ATOM 916 CD GLN A 60 3.803 2.171 3.866 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.836 2.732 4.341 1.00 0.00 O ATOM 918 NE2 GLN A 60 4.899 2.069 4.566 1.00 0.00 N ATOM 0 H GLN A 60 5.759 1.587 0.508 1.00 0.00 H new ATOM 0 HA GLN A 60 3.032 1.301 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.652 3.336 1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.899 3.350 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.872 0.962 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.623 0.924 2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.714 1.599 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.941 2.459 5.507 1.00 0.00 H new ATOM 927 N ALA A 61 4.297 4.055 -1.285 1.00 0.00 N ATOM 928 CA ALA A 61 3.952 5.123 -2.245 1.00 0.00 C ATOM 929 C ALA A 61 3.690 4.577 -3.623 1.00 0.00 C ATOM 930 O ALA A 61 2.667 4.864 -4.211 1.00 0.00 O ATOM 931 CB ALA A 61 5.075 6.143 -2.307 1.00 0.00 C ATOM 0 H ALA A 61 5.248 4.071 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 61 3.036 5.598 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.815 6.928 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.224 6.581 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.994 5.653 -2.629 1.00 0.00 H new ATOM 937 N CYS A 62 4.594 3.804 -4.133 1.00 0.00 N ATOM 938 CA CYS A 62 4.352 3.261 -5.475 1.00 0.00 C ATOM 939 C CYS A 62 3.040 2.503 -5.463 1.00 0.00 C ATOM 940 O CYS A 62 2.331 2.482 -6.442 1.00 0.00 O ATOM 941 CB CYS A 62 5.516 2.335 -5.852 1.00 0.00 C ATOM 942 SG CYS A 62 7.162 3.095 -5.975 1.00 0.00 S ATOM 0 H CYS A 62 5.470 3.532 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 62 4.289 4.061 -6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.566 1.535 -5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.284 1.871 -6.810 1.00 0.00 H new ATOM 947 N ARG A 63 2.724 1.897 -4.332 1.00 0.00 N ATOM 948 CA ARG A 63 1.452 1.150 -4.262 1.00 0.00 C ATOM 949 C ARG A 63 0.336 2.127 -4.548 1.00 0.00 C ATOM 950 O ARG A 63 -0.469 1.915 -5.423 1.00 0.00 O ATOM 951 CB ARG A 63 1.279 0.573 -2.842 1.00 0.00 C ATOM 952 CG ARG A 63 0.154 -0.468 -2.855 1.00 0.00 C ATOM 953 CD ARG A 63 -0.267 -0.774 -1.414 1.00 0.00 C ATOM 954 NE ARG A 63 0.883 -1.388 -0.689 1.00 0.00 N ATOM 955 CZ ARG A 63 1.144 -2.658 -0.854 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.547 -3.305 -1.817 1.00 0.00 N ATOM 957 NH2 ARG A 63 1.995 -3.238 -0.051 1.00 0.00 N ATOM 0 H ARG A 63 3.288 1.896 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 63 1.441 0.331 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.210 0.116 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.044 1.371 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.697 -0.094 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.491 -1.379 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.583 0.141 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.121 -1.452 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 63 1.461 -0.821 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.111 -2.819 -2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.739 -4.297 -1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.444 -2.701 0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.210 -4.228 -0.165 1.00 0.00 H new ATOM 971 N LEU A 64 0.309 3.194 -3.782 1.00 0.00 N ATOM 972 CA LEU A 64 -0.738 4.210 -3.988 1.00 0.00 C ATOM 973 C LEU A 64 -0.766 4.621 -5.440 1.00 0.00 C ATOM 974 O LEU A 64 -1.732 4.429 -6.132 1.00 0.00 O ATOM 975 CB LEU A 64 -0.372 5.464 -3.172 1.00 0.00 C ATOM 976 CG LEU A 64 -1.436 6.566 -3.387 1.00 0.00 C ATOM 977 CD1 LEU A 64 -2.844 6.009 -3.050 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.108 7.731 -2.439 1.00 0.00 C ATOM 0 H LEU A 64 0.969 3.392 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.701 3.799 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.306 5.212 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.609 5.831 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.429 6.901 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.590 6.789 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.066 5.162 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.867 5.684 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.844 8.524 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.133 7.379 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.114 8.117 -2.667 1.00 0.00 H new ATOM 990 N ARG A 65 0.321 5.194 -5.881 1.00 0.00 N ATOM 991 CA ARG A 65 0.388 5.631 -7.291 1.00 0.00 C ATOM 992 C ARG A 65 -0.134 4.537 -8.186 1.00 0.00 C ATOM 993 O ARG A 65 -0.826 4.799 -9.150 1.00 0.00 O ATOM 994 CB ARG A 65 1.867 5.942 -7.628 1.00 0.00 C ATOM 995 CG ARG A 65 1.988 6.428 -9.088 1.00 0.00 C ATOM 996 CD ARG A 65 1.248 7.774 -9.259 1.00 0.00 C ATOM 997 NE ARG A 65 -0.179 7.506 -9.612 1.00 0.00 N ATOM 998 CZ ARG A 65 -0.877 8.433 -10.220 1.00 0.00 C ATOM 999 NH1 ARG A 65 -0.530 8.795 -11.425 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -1.896 8.965 -9.602 1.00 0.00 N ATOM 0 H ARG A 65 1.157 5.375 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.223 6.521 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.250 6.705 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.477 5.050 -7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.038 6.544 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.567 5.684 -9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.305 8.354 -8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.723 8.368 -10.040 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.606 6.609 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.273 8.358 -11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.062 9.515 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.138 8.658 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.450 9.688 -10.061 1.00 0.00 H new ATOM 1014 N LYS A 66 0.201 3.323 -7.864 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.289 2.236 -8.699 1.00 0.00 C ATOM 1016 C LYS A 66 -1.791 2.188 -8.538 1.00 0.00 C ATOM 1017 O LYS A 66 -2.504 2.033 -9.494 1.00 0.00 O ATOM 1018 CB LYS A 66 0.347 0.882 -8.229 1.00 0.00 C ATOM 1019 CG LYS A 66 1.494 0.482 -9.180 1.00 0.00 C ATOM 1020 CD LYS A 66 2.675 1.455 -9.009 1.00 0.00 C ATOM 1021 CE LYS A 66 3.561 1.405 -10.260 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.945 -0.001 -10.571 1.00 0.00 N ATOM 0 H LYS A 66 0.783 3.054 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.021 2.394 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.725 0.982 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.412 0.100 -8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.817 -0.537 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.145 0.497 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.306 2.468 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.257 1.187 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.030 1.839 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.456 2.007 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.766 -0.004 -11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.189 -0.497 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.148 -0.485 -11.031 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.248 2.377 -7.314 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.702 2.343 -7.085 1.00 0.00 C ATOM 1038 C CYS A 67 -4.390 3.338 -7.969 1.00 0.00 C ATOM 1039 O CYS A 67 -5.437 3.072 -8.494 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.004 2.688 -5.631 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.214 1.684 -4.348 1.00 0.00 S ATOM 0 H CYS A 67 -1.673 2.549 -6.489 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.064 1.341 -7.313 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.720 3.727 -5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.083 2.626 -5.489 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.006 1.379 -4.718 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.821 4.494 -8.105 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.484 5.484 -8.979 1.00 0.00 C ATOM 1049 C TYR A 68 -4.273 5.064 -10.417 1.00 0.00 C ATOM 1050 O TYR A 68 -5.091 5.334 -11.273 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.846 6.883 -8.767 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.067 7.406 -7.319 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.322 7.364 -6.714 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.014 7.994 -6.617 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.510 7.890 -5.455 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.219 8.531 -5.364 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.455 8.477 -4.775 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.626 8.965 -3.513 1.00 0.00 O ATOM 0 H TYR A 68 -2.951 4.791 -7.663 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.547 5.533 -8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.777 6.830 -8.975 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.275 7.589 -9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.154 6.915 -7.237 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.029 8.029 -7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.486 7.845 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.398 8.999 -4.842 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.913 9.607 -3.311 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.167 4.411 -10.665 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.900 3.967 -12.044 1.00 0.00 C ATOM 1070 C GLU A 69 -3.997 3.044 -12.468 1.00 0.00 C ATOM 1071 O GLU A 69 -4.350 2.953 -13.626 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.557 3.230 -12.071 1.00 0.00 C ATOM 1073 CG GLU A 69 -1.045 3.164 -13.511 1.00 0.00 C ATOM 1074 CD GLU A 69 0.114 2.168 -13.590 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -0.117 1.036 -13.199 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.166 2.596 -14.037 1.00 0.00 O ATOM 0 H GLU A 69 -2.453 4.174 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.859 4.819 -12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.834 3.745 -11.439 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.673 2.224 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.848 2.859 -14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.715 4.150 -13.837 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.508 2.381 -11.506 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.613 1.425 -11.767 1.00 0.00 C ATOM 1085 C VAL A 70 -6.824 2.195 -12.148 1.00 0.00 C ATOM 1086 O VAL A 70 -7.758 1.674 -12.726 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.965 0.659 -10.468 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -7.163 -0.252 -10.734 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.773 -0.174 -10.003 1.00 0.00 C ATOM 0 H VAL A 70 -4.215 2.450 -10.531 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.304 0.734 -12.551 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.213 1.375 -9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.417 -0.795 -9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.016 0.350 -11.047 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.912 -0.962 -11.522 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.036 -0.707 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.507 -0.893 -10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.924 0.482 -9.810 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.787 3.432 -11.818 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.934 4.298 -12.134 1.00 0.00 C ATOM 1101 C GLY A 71 -9.126 3.698 -11.423 1.00 0.00 C ATOM 1102 O GLY A 71 -10.211 3.614 -11.965 1.00 0.00 O ATOM 0 H GLY A 71 -6.010 3.889 -11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.754 5.319 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.104 4.341 -13.210 1.00 0.00 H new ATOM 1106 N MET A 72 -8.888 3.284 -10.193 1.00 0.00 N ATOM 1107 CA MET A 72 -9.999 2.667 -9.409 1.00 0.00 C ATOM 1108 C MET A 72 -10.890 3.694 -8.812 1.00 0.00 C ATOM 1109 O MET A 72 -12.095 3.649 -8.938 1.00 0.00 O ATOM 1110 CB MET A 72 -9.414 1.843 -8.227 1.00 0.00 C ATOM 1111 CG MET A 72 -10.472 0.896 -7.724 1.00 0.00 C ATOM 1112 SD MET A 72 -9.963 -0.454 -6.595 1.00 0.00 S ATOM 1113 CE MET A 72 -8.331 0.107 -6.133 1.00 0.00 C ATOM 0 H MET A 72 -7.990 3.347 -9.713 1.00 0.00 H new ATOM 0 HA MET A 72 -10.564 2.042 -10.101 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.535 1.288 -8.553 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.092 2.509 -7.426 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.232 1.487 -7.214 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.951 0.441 -8.591 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.946 -0.518 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.666 0.040 -6.994 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.384 1.142 -5.796 1.00 0.00 H new ATOM 1123 N MET A 73 -10.263 4.588 -8.173 1.00 0.00 N ATOM 1124 CA MET A 73 -10.984 5.680 -7.509 1.00 0.00 C ATOM 1125 C MET A 73 -11.863 5.080 -6.446 1.00 0.00 C ATOM 1126 O MET A 73 -12.645 4.191 -6.717 1.00 0.00 O ATOM 1127 CB MET A 73 -11.852 6.452 -8.518 1.00 0.00 C ATOM 1128 CG MET A 73 -11.034 6.750 -9.779 1.00 0.00 C ATOM 1129 SD MET A 73 -11.732 7.933 -10.959 1.00 0.00 S ATOM 1130 CE MET A 73 -10.649 7.528 -12.350 1.00 0.00 C ATOM 0 H MET A 73 -9.249 4.620 -8.072 1.00 0.00 H new ATOM 0 HA MET A 73 -10.269 6.378 -7.072 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.735 5.867 -8.775 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.204 7.382 -8.073 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.057 7.120 -9.468 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.867 5.809 -10.303 1.00 0.00 H new ATOM 0 HE1 MET A 73 -10.907 8.152 -13.206 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.612 7.710 -12.068 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.775 6.478 -12.615 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.708 5.561 -5.251 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.524 5.035 -4.122 1.00 0.00 C ATOM 1142 C LYS A 74 -13.943 4.666 -4.564 1.00 0.00 C ATOM 1143 O LYS A 74 -14.457 3.622 -4.214 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.624 6.117 -3.019 1.00 0.00 C ATOM 1145 CG LYS A 74 -12.953 7.490 -3.645 1.00 0.00 C ATOM 1146 CD LYS A 74 -12.873 8.584 -2.560 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.147 8.565 -1.701 1.00 0.00 C ATOM 1148 NZ LYS A 74 -14.177 9.746 -0.792 1.00 0.00 N ATOM 0 H LYS A 74 -11.049 6.299 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.033 4.136 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.396 5.843 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.684 6.175 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.253 7.711 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.950 7.471 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.998 8.421 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.753 9.562 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.027 8.570 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.185 7.646 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.044 9.720 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.346 9.724 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.162 10.619 -1.357 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.537 5.532 -5.323 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.921 5.261 -5.807 1.00 0.00 C ATOM 1164 C GLY A 75 -16.934 5.507 -4.685 1.00 0.00 C ATOM 1165 O GLY A 75 -17.831 6.295 -4.931 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.753 4.891 -3.648 1.00 0.00 O ATOM 0 H GLY A 75 -14.131 6.415 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.148 5.903 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.997 4.231 -6.155 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.056 -5.446 -3.735 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.878 2.199 -4.717 1.00 0.00 ZN