USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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 22 ASN : amide:sc= -0.336 K(o=-2.6,f=-3.6!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.22 X(o=-2.6,f=-2.3) USER MOD Set 2.1: A 17 GLN : amide:sc= -2.7! K(o=-1.9!,f=-2.7) USER MOD Set 2.2: A 41 TYR OH : rot 165:sc= 0.845 USER MOD Set 3.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 23 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 1 GLN : amide:sc= -0.038 K(o=-0.038,f=-1) USER MOD Single : A 1 GLN N :NH3+ -167:sc=-0.00641 (180deg=-0.353) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.231 (180deg=-1.18) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= 1.42 (180deg=0.942) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.74 X(o=-1.7,f=-2.1) USER MOD Single : A 48 GLN : amide:sc= -2.21 X(o=-2.2,f=-2.2!) USER MOD Single : A 53 TYR OH : rot -125:sc= 0.368 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.242 -0.547 -1.859 1.00 0.00 N ATOM 2 CA GLN A 1 1.206 0.191 -3.116 1.00 0.00 C ATOM 3 C GLN A 1 2.603 0.315 -3.715 1.00 0.00 C ATOM 4 O GLN A 1 2.765 0.351 -4.935 1.00 0.00 O ATOM 5 CB GLN A 1 0.605 1.581 -2.898 1.00 0.00 C ATOM 6 CG GLN A 1 -0.800 1.553 -2.319 1.00 0.00 C ATOM 7 CD GLN A 1 -1.628 2.751 -2.739 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.094 3.758 -3.204 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.942 2.648 -2.577 1.00 0.00 N ATOM 0 H1 GLN A 1 0.274 -0.810 -1.583 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.814 -1.407 -1.978 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.663 0.049 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 1 0.579 -0.362 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.253 2.147 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.586 2.113 -3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -1.302 0.639 -2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -0.740 1.521 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -3.343 1.795 -2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -3.551 3.422 -2.842 1.00 0.00 H new ATOM 18 N ASP A 2 3.608 0.382 -2.849 1.00 0.00 N ATOM 19 CA ASP A 2 4.992 0.502 -3.293 1.00 0.00 C ATOM 20 C ASP A 2 5.955 0.052 -2.199 1.00 0.00 C ATOM 21 O ASP A 2 7.022 0.638 -2.015 1.00 0.00 O ATOM 22 CB ASP A 2 5.298 1.946 -3.696 1.00 0.00 C ATOM 23 CG ASP A 2 5.094 2.921 -2.553 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.935 3.100 -2.124 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.095 3.505 -2.087 1.00 0.00 O ATOM 0 H ASP A 2 3.491 0.355 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 2 5.126 -0.145 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.328 2.012 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.658 2.231 -4.531 1.00 0.00 H new ATOM 30 N LYS A 3 5.570 -0.992 -1.472 1.00 0.00 N ATOM 31 CA LYS A 3 6.397 -1.523 -0.395 1.00 0.00 C ATOM 32 C LYS A 3 7.354 -2.589 -0.919 1.00 0.00 C ATOM 33 O LYS A 3 8.211 -3.083 -0.185 1.00 0.00 O ATOM 34 CB LYS A 3 5.517 -2.110 0.710 1.00 0.00 C ATOM 35 CG LYS A 3 4.837 -3.411 0.319 1.00 0.00 C ATOM 36 CD LYS A 3 3.679 -3.736 1.248 1.00 0.00 C ATOM 37 CE LYS A 3 4.083 -4.748 2.309 1.00 0.00 C ATOM 38 NZ LYS A 3 3.828 -4.240 3.685 1.00 0.00 N ATOM 0 H LYS A 3 4.689 -1.487 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 3 6.985 -0.703 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.127 -2.281 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.756 -1.379 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.473 -3.339 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.563 -4.224 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.330 -2.822 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.845 -4.129 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.530 -5.675 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.141 -4.986 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.116 -4.959 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.375 -3.369 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.814 -4.037 3.798 1.00 0.00 H new ATOM 52 N CYS A 4 7.204 -2.939 -2.192 1.00 0.00 N ATOM 53 CA CYS A 4 8.054 -3.946 -2.815 1.00 0.00 C ATOM 54 C CYS A 4 8.825 -3.354 -3.992 1.00 0.00 C ATOM 55 O CYS A 4 8.286 -2.565 -4.768 1.00 0.00 O ATOM 56 CB CYS A 4 7.213 -5.133 -3.286 1.00 0.00 C ATOM 57 SG CYS A 4 5.690 -5.395 -2.322 1.00 0.00 S ATOM 0 H CYS A 4 6.500 -2.539 -2.813 1.00 0.00 H new ATOM 0 HA CYS A 4 8.771 -4.291 -2.071 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.947 -4.983 -4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.821 -6.037 -3.238 1.00 0.00 H new ATOM 62 N LYS A 5 10.090 -3.742 -4.118 1.00 0.00 N ATOM 63 CA LYS A 5 10.935 -3.253 -5.200 1.00 0.00 C ATOM 64 C LYS A 5 12.197 -4.100 -5.330 1.00 0.00 C ATOM 65 O LYS A 5 12.507 -4.909 -4.456 1.00 0.00 O ATOM 66 CB LYS A 5 11.314 -1.790 -4.958 1.00 0.00 C ATOM 67 CG LYS A 5 12.364 -1.604 -3.877 1.00 0.00 C ATOM 68 CD LYS A 5 11.839 -0.756 -2.730 1.00 0.00 C ATOM 69 CE LYS A 5 12.892 0.225 -2.236 1.00 0.00 C ATOM 70 NZ LYS A 5 13.713 -0.351 -1.136 1.00 0.00 N ATOM 0 H LYS A 5 10.552 -4.394 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 5 10.371 -3.327 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.683 -1.360 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.419 -1.232 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.674 -2.578 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.248 -1.132 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.954 -0.209 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.529 -1.403 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.542 0.508 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.405 1.136 -1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.419 0.348 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.097 -0.598 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.198 -1.206 -1.476 1.00 0.00 H new ATOM 84 N LYS A 6 12.923 -3.908 -6.426 1.00 0.00 N ATOM 85 CA LYS A 6 14.153 -4.652 -6.670 1.00 0.00 C ATOM 86 C LYS A 6 15.183 -3.782 -7.383 1.00 0.00 C ATOM 87 O LYS A 6 14.991 -3.390 -8.534 1.00 0.00 O ATOM 88 CB LYS A 6 13.861 -5.901 -7.504 1.00 0.00 C ATOM 89 CG LYS A 6 13.105 -6.977 -6.744 1.00 0.00 C ATOM 90 CD LYS A 6 13.099 -8.295 -7.501 1.00 0.00 C ATOM 91 CE LYS A 6 14.243 -9.196 -7.060 1.00 0.00 C ATOM 92 NZ LYS A 6 13.767 -10.560 -6.698 1.00 0.00 N ATOM 0 H LYS A 6 12.681 -3.243 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 6 14.563 -4.953 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.283 -5.614 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.803 -6.316 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.562 -7.121 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.079 -6.650 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.149 -8.805 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.178 -8.102 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.978 -9.269 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.748 -8.749 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.576 -11.143 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.085 -10.493 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.307 -10.997 -7.522 1.00 0.00 H new ATOM 106 N VAL A 7 16.279 -3.483 -6.691 1.00 0.00 N ATOM 107 CA VAL A 7 17.341 -2.662 -7.259 1.00 0.00 C ATOM 108 C VAL A 7 18.089 -3.411 -8.356 1.00 0.00 C ATOM 109 O VAL A 7 18.207 -4.636 -8.316 1.00 0.00 O ATOM 110 CB VAL A 7 18.345 -2.218 -6.179 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.192 -3.396 -5.720 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.224 -1.090 -6.700 1.00 0.00 C ATOM 0 H VAL A 7 16.454 -3.797 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 7 16.864 -1.780 -7.687 1.00 0.00 H new ATOM 0 HB VAL A 7 17.787 -1.846 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.895 -3.063 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.545 -4.169 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.743 -3.801 -6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.927 -0.789 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.775 -1.433 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.600 -0.239 -6.974 1.00 0.00 H new ATOM 122 N TYR A 8 18.593 -2.667 -9.334 1.00 0.00 N ATOM 123 CA TYR A 8 19.329 -3.261 -10.444 1.00 0.00 C ATOM 124 C TYR A 8 20.816 -2.933 -10.350 1.00 0.00 C ATOM 125 O TYR A 8 21.315 -2.058 -11.056 1.00 0.00 O ATOM 126 CB TYR A 8 18.769 -2.765 -11.778 1.00 0.00 C ATOM 127 CG TYR A 8 18.927 -3.757 -12.908 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.919 -4.729 -12.872 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.082 -3.724 -14.011 1.00 0.00 C ATOM 130 CE1 TYR A 8 20.067 -5.637 -13.903 1.00 0.00 C ATOM 131 CE2 TYR A 8 18.222 -4.629 -15.045 1.00 0.00 C ATOM 132 CZ TYR A 8 19.216 -5.583 -14.987 1.00 0.00 C ATOM 133 OH TYR A 8 19.359 -6.487 -16.015 1.00 0.00 O ATOM 0 H TYR A 8 18.506 -1.652 -9.381 1.00 0.00 H new ATOM 0 HA TYR A 8 19.210 -4.343 -10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.711 -2.533 -11.655 1.00 0.00 H new ATOM 0 HB3 TYR A 8 19.269 -1.835 -12.049 1.00 0.00 H new ATOM 0 HD1 TYR A 8 20.586 -4.776 -12.024 1.00 0.00 H new ATOM 0 HD2 TYR A 8 17.303 -2.978 -14.060 1.00 0.00 H new ATOM 0 HE1 TYR A 8 20.845 -6.385 -13.860 1.00 0.00 H new ATOM 0 HE2 TYR A 8 17.556 -4.590 -15.895 1.00 0.00 H new ATOM 0 HH TYR A 8 18.680 -6.313 -16.700 1.00 0.00 H new ATOM 143 N GLU A 9 21.518 -3.644 -9.473 1.00 0.00 N ATOM 144 CA GLU A 9 22.947 -3.429 -9.285 1.00 0.00 C ATOM 145 C GLU A 9 23.678 -3.434 -10.625 1.00 0.00 C ATOM 146 O GLU A 9 24.680 -2.741 -10.800 1.00 0.00 O ATOM 147 CB GLU A 9 23.532 -4.506 -8.369 1.00 0.00 C ATOM 148 CG GLU A 9 22.772 -4.673 -7.064 1.00 0.00 C ATOM 149 CD GLU A 9 23.468 -5.614 -6.100 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.649 -5.365 -5.777 1.00 0.00 O ATOM 151 OE2 GLU A 9 22.833 -6.598 -5.668 1.00 0.00 O ATOM 0 H GLU A 9 21.120 -4.374 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 9 23.083 -2.453 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.539 -5.458 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.570 -4.257 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.651 -3.698 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.772 -5.051 -7.276 1.00 0.00 H new ATOM 158 N ASN A 10 23.169 -4.221 -11.567 1.00 0.00 N ATOM 159 CA ASN A 10 23.774 -4.318 -12.891 1.00 0.00 C ATOM 160 C ASN A 10 23.053 -3.413 -13.885 1.00 0.00 C ATOM 161 O ASN A 10 22.512 -3.881 -14.888 1.00 0.00 O ATOM 162 CB ASN A 10 23.741 -5.766 -13.385 1.00 0.00 C ATOM 163 CG ASN A 10 23.915 -6.765 -12.258 1.00 0.00 C ATOM 164 OD1 ASN A 10 25.037 -7.124 -11.900 1.00 0.00 O ATOM 165 ND2 ASN A 10 22.803 -7.220 -11.694 1.00 0.00 N ATOM 0 H ASN A 10 22.340 -4.801 -11.439 1.00 0.00 H new ATOM 0 HA ASN A 10 24.811 -3.991 -12.815 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.793 -5.953 -13.890 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.530 -5.913 -14.123 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.857 -7.895 -10.931 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.894 -6.895 -12.023 1.00 0.00 H new ATOM 172 N TYR A 11 23.051 -2.115 -13.602 1.00 0.00 N ATOM 173 CA TYR A 11 22.396 -1.144 -14.470 1.00 0.00 C ATOM 174 C TYR A 11 23.143 0.186 -14.461 1.00 0.00 C ATOM 175 O TYR A 11 23.604 0.662 -13.424 1.00 0.00 O ATOM 176 CB TYR A 11 20.947 -0.930 -14.028 1.00 0.00 C ATOM 177 CG TYR A 11 20.005 -0.621 -15.170 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.509 -1.634 -15.981 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.613 0.685 -15.439 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.649 -1.356 -17.026 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.752 0.972 -16.481 1.00 0.00 C ATOM 182 CZ TYR A 11 18.273 -0.052 -17.272 1.00 0.00 C ATOM 183 OH TYR A 11 17.417 0.230 -18.311 1.00 0.00 O ATOM 0 H TYR A 11 23.496 -1.711 -12.778 1.00 0.00 H new ATOM 0 HA TYR A 11 22.405 -1.539 -15.486 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.598 -1.824 -13.512 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.913 -0.112 -13.308 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.801 -2.656 -15.791 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.988 1.489 -14.823 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.273 -2.156 -17.647 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.456 1.992 -16.675 1.00 0.00 H new ATOM 0 HH TYR A 11 17.252 1.195 -18.346 1.00 0.00 H new ATOM 193 N PRO A 12 23.266 0.802 -15.647 1.00 0.00 N ATOM 194 CA PRO A 12 23.955 2.086 -15.804 1.00 0.00 C ATOM 195 C PRO A 12 23.183 3.239 -15.174 1.00 0.00 C ATOM 196 O PRO A 12 22.023 3.480 -15.510 1.00 0.00 O ATOM 197 CB PRO A 12 24.036 2.261 -17.323 1.00 0.00 C ATOM 198 CG PRO A 12 22.899 1.461 -17.857 1.00 0.00 C ATOM 199 CD PRO A 12 22.741 0.292 -16.925 1.00 0.00 C ATOM 0 HA PRO A 12 24.926 2.091 -15.308 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.949 3.310 -17.606 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.989 1.903 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 12 21.987 2.056 -17.894 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.102 1.125 -18.874 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.699 -0.014 -16.838 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.301 -0.577 -17.271 1.00 0.00 H new ATOM 207 N VAL A 13 23.833 3.952 -14.259 1.00 0.00 N ATOM 208 CA VAL A 13 23.207 5.082 -13.584 1.00 0.00 C ATOM 209 C VAL A 13 22.947 6.228 -14.555 1.00 0.00 C ATOM 210 O VAL A 13 22.143 7.118 -14.280 1.00 0.00 O ATOM 211 CB VAL A 13 24.080 5.596 -12.423 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.501 4.445 -11.522 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.296 6.337 -12.959 1.00 0.00 C ATOM 0 H VAL A 13 24.793 3.767 -13.969 1.00 0.00 H new ATOM 0 HA VAL A 13 22.257 4.725 -13.185 1.00 0.00 H new ATOM 0 HB VAL A 13 23.490 6.294 -11.829 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.117 4.827 -10.708 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.615 3.962 -11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.074 3.720 -12.101 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.902 6.693 -12.126 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.890 5.663 -13.577 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.969 7.186 -13.559 1.00 0.00 H new ATOM 223 N SER A 14 23.632 6.198 -15.694 1.00 0.00 N ATOM 224 CA SER A 14 23.478 7.236 -16.706 1.00 0.00 C ATOM 225 C SER A 14 22.052 7.257 -17.251 1.00 0.00 C ATOM 226 O SER A 14 21.396 8.298 -17.266 1.00 0.00 O ATOM 227 CB SER A 14 24.469 7.014 -17.850 1.00 0.00 C ATOM 228 OG SER A 14 25.364 8.106 -17.969 1.00 0.00 O ATOM 0 H SER A 14 24.299 5.466 -15.939 1.00 0.00 H new ATOM 0 HA SER A 14 23.684 8.198 -16.237 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.031 6.097 -17.675 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.925 6.882 -18.786 1.00 0.00 H new ATOM 0 HG SER A 14 25.988 7.939 -18.706 1.00 0.00 H new ATOM 234 N LYS A 15 21.579 6.098 -17.697 1.00 0.00 N ATOM 235 CA LYS A 15 20.232 5.980 -18.241 1.00 0.00 C ATOM 236 C LYS A 15 19.190 6.402 -17.210 1.00 0.00 C ATOM 237 O LYS A 15 18.117 6.894 -17.563 1.00 0.00 O ATOM 238 CB LYS A 15 19.966 4.541 -18.691 1.00 0.00 C ATOM 239 CG LYS A 15 20.053 4.349 -20.195 1.00 0.00 C ATOM 240 CD LYS A 15 19.363 3.068 -20.634 1.00 0.00 C ATOM 241 CE LYS A 15 20.355 2.071 -21.214 1.00 0.00 C ATOM 242 NZ LYS A 15 19.725 1.196 -22.241 1.00 0.00 N ATOM 0 H LYS A 15 22.109 5.227 -17.692 1.00 0.00 H new ATOM 0 HA LYS A 15 20.155 6.644 -19.102 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.684 3.879 -18.206 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.975 4.240 -18.351 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.596 5.201 -20.699 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.099 4.323 -20.500 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.850 2.620 -19.783 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.602 3.300 -21.379 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.192 2.609 -21.659 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.762 1.455 -20.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.433 0.531 -22.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.942 0.664 -21.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.359 1.782 -23.019 1.00 0.00 H new ATOM 256 N CYS A 16 19.512 6.208 -15.936 1.00 0.00 N ATOM 257 CA CYS A 16 18.605 6.570 -14.854 1.00 0.00 C ATOM 258 C CYS A 16 18.511 8.086 -14.706 1.00 0.00 C ATOM 259 O CYS A 16 17.436 8.628 -14.449 1.00 0.00 O ATOM 260 CB CYS A 16 19.074 5.946 -13.537 1.00 0.00 C ATOM 261 SG CYS A 16 18.344 4.315 -13.186 1.00 0.00 S ATOM 0 H CYS A 16 20.395 5.802 -15.627 1.00 0.00 H new ATOM 0 HA CYS A 16 17.615 6.185 -15.099 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.159 5.849 -13.559 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.831 6.624 -12.719 1.00 0.00 H new ATOM 266 N GLN A 17 19.643 8.762 -14.871 1.00 0.00 N ATOM 267 CA GLN A 17 19.688 10.215 -14.755 1.00 0.00 C ATOM 268 C GLN A 17 19.086 10.878 -15.990 1.00 0.00 C ATOM 269 O GLN A 17 18.808 12.078 -15.990 1.00 0.00 O ATOM 270 CB GLN A 17 21.130 10.688 -14.560 1.00 0.00 C ATOM 271 CG GLN A 17 21.688 10.382 -13.180 1.00 0.00 C ATOM 272 CD GLN A 17 21.211 11.362 -12.127 1.00 0.00 C ATOM 273 OE1 GLN A 17 20.221 12.068 -12.323 1.00 0.00 O ATOM 274 NE2 GLN A 17 21.913 11.411 -11.001 1.00 0.00 N ATOM 0 H GLN A 17 20.541 8.328 -15.085 1.00 0.00 H new ATOM 0 HA GLN A 17 19.098 10.503 -13.885 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.763 10.217 -15.312 1.00 0.00 H new ATOM 0 HB3 GLN A 17 21.177 11.763 -14.732 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.396 9.373 -12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.777 10.400 -13.221 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.727 10.808 -10.881 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.638 12.052 -10.256 1.00 0.00 H new ATOM 283 N LEU A 18 18.887 10.090 -17.041 1.00 0.00 N ATOM 284 CA LEU A 18 18.318 10.600 -18.283 1.00 0.00 C ATOM 285 C LEU A 18 16.827 10.880 -18.125 1.00 0.00 C ATOM 286 O LEU A 18 15.988 10.103 -18.582 1.00 0.00 O ATOM 287 CB LEU A 18 18.543 9.601 -19.419 1.00 0.00 C ATOM 288 CG LEU A 18 19.779 9.839 -20.287 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.271 8.531 -20.887 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.474 10.849 -21.384 1.00 0.00 C ATOM 0 H LEU A 18 19.111 9.095 -17.058 1.00 0.00 H new ATOM 0 HA LEU A 18 18.821 11.536 -18.526 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.613 8.602 -18.989 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.664 9.610 -20.063 1.00 0.00 H new ATOM 0 HG LEU A 18 20.569 10.245 -19.656 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.151 8.721 -21.501 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.530 7.838 -20.086 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.485 8.095 -21.504 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.365 11.006 -21.992 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.668 10.471 -22.013 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.170 11.794 -20.934 1.00 0.00 H new ATOM 302 N ARG A 19 16.504 11.993 -17.475 1.00 0.00 N ATOM 303 CA ARG A 19 15.115 12.376 -17.257 1.00 0.00 C ATOM 304 C ARG A 19 14.375 12.516 -18.585 1.00 0.00 C ATOM 305 O ARG A 19 13.151 12.393 -18.640 1.00 0.00 O ATOM 306 CB ARG A 19 15.041 13.690 -16.479 1.00 0.00 C ATOM 307 CG ARG A 19 14.211 13.600 -15.208 1.00 0.00 C ATOM 308 CD ARG A 19 12.724 13.706 -15.506 1.00 0.00 C ATOM 309 NE ARG A 19 12.268 15.093 -15.531 1.00 0.00 N ATOM 310 CZ ARG A 19 11.004 15.448 -15.732 1.00 0.00 C ATOM 311 NH1 ARG A 19 10.075 14.522 -15.925 1.00 0.00 N ATOM 312 NH2 ARG A 19 10.667 16.732 -15.741 1.00 0.00 N ATOM 0 H ARG A 19 17.186 12.646 -17.090 1.00 0.00 H new ATOM 0 HA ARG A 19 14.635 11.590 -16.674 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.051 14.007 -16.221 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.620 14.461 -17.124 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.416 12.655 -14.704 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.504 14.396 -14.524 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.513 13.238 -16.467 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.163 13.154 -14.752 1.00 0.00 H new ATOM 0 HE ARG A 19 12.958 15.830 -15.386 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.330 13.534 -15.919 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.105 14.797 -16.079 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.379 17.447 -15.593 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.696 17.003 -15.895 1.00 0.00 H new ATOM 326 N ILE A 20 15.126 12.774 -19.650 1.00 0.00 N ATOM 327 CA ILE A 20 14.541 12.930 -20.976 1.00 0.00 C ATOM 328 C ILE A 20 14.162 11.579 -21.573 1.00 0.00 C ATOM 329 O ILE A 20 13.242 11.483 -22.384 1.00 0.00 O ATOM 330 CB ILE A 20 15.507 13.650 -21.936 1.00 0.00 C ATOM 331 CG1 ILE A 20 16.112 14.881 -21.257 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.786 14.045 -23.216 1.00 0.00 C ATOM 333 CD1 ILE A 20 17.068 15.649 -22.142 1.00 0.00 C ATOM 0 H ILE A 20 16.140 12.879 -19.621 1.00 0.00 H new ATOM 0 HA ILE A 20 13.643 13.535 -20.855 1.00 0.00 H new ATOM 0 HB ILE A 20 16.316 12.966 -22.194 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.307 15.545 -20.943 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.637 14.567 -20.355 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.482 14.553 -23.884 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.399 13.152 -23.706 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.960 14.714 -22.976 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.458 16.508 -21.596 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.893 15.000 -22.436 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.542 15.993 -23.033 1.00 0.00 H new ATOM 345 N ALA A 21 14.878 10.536 -21.164 1.00 0.00 N ATOM 346 CA ALA A 21 14.614 9.189 -21.654 1.00 0.00 C ATOM 347 C ALA A 21 14.931 8.145 -20.589 1.00 0.00 C ATOM 348 O ALA A 21 16.009 7.552 -20.589 1.00 0.00 O ATOM 349 CB ALA A 21 15.421 8.920 -22.916 1.00 0.00 C ATOM 0 H ALA A 21 15.645 10.599 -20.495 1.00 0.00 H new ATOM 0 HA ALA A 21 13.553 9.117 -21.891 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.215 7.911 -23.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.143 9.640 -23.686 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.484 9.017 -22.696 1.00 0.00 H new ATOM 355 N ASN A 22 13.985 7.926 -19.682 1.00 0.00 N ATOM 356 CA ASN A 22 14.164 6.954 -18.610 1.00 0.00 C ATOM 357 C ASN A 22 13.924 5.535 -19.117 1.00 0.00 C ATOM 358 O ASN A 22 12.811 5.016 -19.031 1.00 0.00 O ATOM 359 CB ASN A 22 13.214 7.261 -17.451 1.00 0.00 C ATOM 360 CG ASN A 22 13.804 6.884 -16.105 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.019 6.927 -15.913 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.942 6.513 -15.165 1.00 0.00 N ATOM 0 H ASN A 22 13.086 8.409 -19.668 1.00 0.00 H new ATOM 0 HA ASN A 22 15.193 7.026 -18.256 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.973 8.324 -17.454 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.279 6.721 -17.599 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.279 6.249 -14.239 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.943 6.492 -15.369 1.00 0.00 H new ATOM 369 N GLN A 23 14.975 4.914 -19.643 1.00 0.00 N ATOM 370 CA GLN A 23 14.878 3.556 -20.163 1.00 0.00 C ATOM 371 C GLN A 23 14.865 2.538 -19.027 1.00 0.00 C ATOM 372 O GLN A 23 14.733 1.335 -19.259 1.00 0.00 O ATOM 373 CB GLN A 23 16.042 3.266 -21.111 1.00 0.00 C ATOM 374 CG GLN A 23 15.610 3.011 -22.546 1.00 0.00 C ATOM 375 CD GLN A 23 15.191 1.573 -22.783 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.950 0.641 -22.514 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.978 1.385 -23.289 1.00 0.00 N ATOM 0 H GLN A 23 15.903 5.330 -19.720 1.00 0.00 H new ATOM 0 HA GLN A 23 13.941 3.470 -20.714 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.733 4.109 -21.093 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.589 2.397 -20.745 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.780 3.673 -22.795 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.430 3.262 -23.218 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.382 2.186 -23.497 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.642 0.439 -23.470 1.00 0.00 H new ATOM 386 N CYS A 24 15.004 3.026 -17.800 1.00 0.00 N ATOM 387 CA CYS A 24 15.010 2.160 -16.627 1.00 0.00 C ATOM 388 C CYS A 24 13.643 1.513 -16.422 1.00 0.00 C ATOM 389 O CYS A 24 13.510 0.291 -16.476 1.00 0.00 O ATOM 390 CB CYS A 24 15.401 2.956 -15.381 1.00 0.00 C ATOM 391 SG CYS A 24 15.083 2.086 -13.812 1.00 0.00 S ATOM 0 H CYS A 24 15.114 4.018 -17.591 1.00 0.00 H new ATOM 0 HA CYS A 24 15.745 1.372 -16.792 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.461 3.203 -15.439 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.854 3.899 -15.379 1.00 0.00 H new ATOM 396 N ASN A 25 12.631 2.342 -16.188 1.00 0.00 N ATOM 397 CA ASN A 25 11.275 1.850 -15.974 1.00 0.00 C ATOM 398 C ASN A 25 10.829 0.963 -17.133 1.00 0.00 C ATOM 399 O ASN A 25 10.152 -0.046 -16.931 1.00 0.00 O ATOM 400 CB ASN A 25 10.305 3.023 -15.814 1.00 0.00 C ATOM 401 CG ASN A 25 10.047 3.743 -17.123 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.286 3.268 -17.966 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.681 4.897 -17.298 1.00 0.00 N ATOM 0 H ASN A 25 12.724 3.357 -16.142 1.00 0.00 H new ATOM 0 HA ASN A 25 11.271 1.255 -15.061 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.360 2.657 -15.411 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.709 3.729 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.546 5.428 -18.159 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.303 5.253 -16.572 1.00 0.00 H new ATOM 410 N TYR A 26 11.214 1.344 -18.345 1.00 0.00 N ATOM 411 CA TYR A 26 10.854 0.584 -19.536 1.00 0.00 C ATOM 412 C TYR A 26 11.622 -0.732 -19.596 1.00 0.00 C ATOM 413 O TYR A 26 11.073 -1.768 -19.971 1.00 0.00 O ATOM 414 CB TYR A 26 11.132 1.407 -20.795 1.00 0.00 C ATOM 415 CG TYR A 26 10.063 1.270 -21.856 1.00 0.00 C ATOM 416 CD1 TYR A 26 10.021 0.158 -22.688 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.095 2.253 -22.026 1.00 0.00 C ATOM 418 CE1 TYR A 26 9.046 0.030 -23.659 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.116 2.131 -22.993 1.00 0.00 C ATOM 420 CZ TYR A 26 8.096 1.019 -23.808 1.00 0.00 C ATOM 421 OH TYR A 26 7.124 0.893 -24.773 1.00 0.00 O ATOM 0 H TYR A 26 11.776 2.175 -18.529 1.00 0.00 H new ATOM 0 HA TYR A 26 9.789 0.360 -19.484 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.226 2.457 -20.519 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.090 1.101 -21.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.762 -0.619 -22.574 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.109 3.127 -21.391 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.028 -0.840 -24.298 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.370 2.903 -23.110 1.00 0.00 H new ATOM 0 HH TYR A 26 6.533 1.674 -24.746 1.00 0.00 H new ATOM 431 N ASP A 27 12.896 -0.684 -19.222 1.00 0.00 N ATOM 432 CA ASP A 27 13.741 -1.872 -19.231 1.00 0.00 C ATOM 433 C ASP A 27 13.266 -2.884 -18.193 1.00 0.00 C ATOM 434 O ASP A 27 13.281 -4.091 -18.436 1.00 0.00 O ATOM 435 CB ASP A 27 15.197 -1.490 -18.960 1.00 0.00 C ATOM 436 CG ASP A 27 16.106 -2.700 -18.868 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.186 -3.300 -17.776 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.737 -3.048 -19.889 1.00 0.00 O ATOM 0 H ASP A 27 13.366 0.165 -18.909 1.00 0.00 H new ATOM 0 HA ASP A 27 13.671 -2.330 -20.218 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.551 -0.833 -19.754 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.254 -0.925 -18.030 1.00 0.00 H new ATOM 443 N CYS A 28 12.847 -2.384 -17.035 1.00 0.00 N ATOM 444 CA CYS A 28 12.369 -3.244 -15.959 1.00 0.00 C ATOM 445 C CYS A 28 11.231 -4.138 -16.442 1.00 0.00 C ATOM 446 O CYS A 28 11.326 -5.365 -16.394 1.00 0.00 O ATOM 447 CB CYS A 28 11.900 -2.399 -14.773 1.00 0.00 C ATOM 448 SG CYS A 28 13.250 -1.804 -13.705 1.00 0.00 S ATOM 0 H CYS A 28 12.829 -1.388 -16.818 1.00 0.00 H new ATOM 0 HA CYS A 28 13.196 -3.879 -15.640 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.344 -1.541 -15.150 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.208 -2.988 -14.172 1.00 0.00 H new ATOM 453 N LYS A 29 10.153 -3.515 -16.907 1.00 0.00 N ATOM 454 CA LYS A 29 8.996 -4.253 -17.401 1.00 0.00 C ATOM 455 C LYS A 29 9.367 -5.097 -18.616 1.00 0.00 C ATOM 456 O LYS A 29 8.778 -6.152 -18.854 1.00 0.00 O ATOM 457 CB LYS A 29 7.866 -3.286 -17.763 1.00 0.00 C ATOM 458 CG LYS A 29 7.534 -2.297 -16.659 1.00 0.00 C ATOM 459 CD LYS A 29 7.031 -0.979 -17.224 1.00 0.00 C ATOM 460 CE LYS A 29 5.694 -1.149 -17.928 1.00 0.00 C ATOM 461 NZ LYS A 29 5.864 -1.540 -19.355 1.00 0.00 N ATOM 0 H LYS A 29 10.057 -2.501 -16.952 1.00 0.00 H new ATOM 0 HA LYS A 29 8.656 -4.920 -16.609 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.145 -2.735 -18.661 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.972 -3.860 -18.006 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.777 -2.725 -16.002 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.421 -2.118 -16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.929 -0.252 -16.419 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.764 -0.579 -17.924 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.105 -1.907 -17.411 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.133 -0.216 -17.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.077 -1.157 -19.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.763 -1.160 -19.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.871 -2.577 -19.432 1.00 0.00 H new ATOM 475 N LEU A 30 10.346 -4.626 -19.381 1.00 0.00 N ATOM 476 CA LEU A 30 10.796 -5.339 -20.571 1.00 0.00 C ATOM 477 C LEU A 30 11.175 -6.778 -20.234 1.00 0.00 C ATOM 478 O LEU A 30 10.685 -7.721 -20.855 1.00 0.00 O ATOM 479 CB LEU A 30 11.991 -4.619 -21.199 1.00 0.00 C ATOM 480 CG LEU A 30 12.317 -4.995 -22.645 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.665 -3.755 -23.454 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.458 -6.001 -22.690 1.00 0.00 C ATOM 0 H LEU A 30 10.843 -3.754 -19.198 1.00 0.00 H new ATOM 0 HA LEU A 30 9.973 -5.358 -21.286 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.806 -3.546 -21.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.871 -4.815 -20.586 1.00 0.00 H new ATOM 0 HG LEU A 30 11.434 -5.456 -23.088 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.894 -4.042 -24.480 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.818 -3.068 -23.450 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.532 -3.264 -23.013 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.676 -6.257 -23.727 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.345 -5.566 -22.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.171 -6.901 -22.147 1.00 0.00 H new ATOM 494 N ASP A 31 12.048 -6.938 -19.245 1.00 0.00 N ATOM 495 CA ASP A 31 12.490 -8.262 -18.823 1.00 0.00 C ATOM 496 C ASP A 31 11.915 -8.615 -17.454 1.00 0.00 C ATOM 497 O ASP A 31 11.082 -9.513 -17.332 1.00 0.00 O ATOM 498 CB ASP A 31 14.017 -8.323 -18.780 1.00 0.00 C ATOM 499 CG ASP A 31 14.599 -9.082 -19.956 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.148 -8.846 -21.096 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.506 -9.913 -19.736 1.00 0.00 O ATOM 0 H ASP A 31 12.463 -6.168 -18.721 1.00 0.00 H new ATOM 0 HA ASP A 31 12.126 -8.989 -19.549 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.418 -7.310 -18.771 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.333 -8.799 -17.852 1.00 0.00 H new ATOM 506 N LYS A 32 12.367 -7.904 -16.427 1.00 0.00 N ATOM 507 CA LYS A 32 11.899 -8.141 -15.067 1.00 0.00 C ATOM 508 C LYS A 32 10.375 -8.182 -15.015 1.00 0.00 C ATOM 509 O LYS A 32 9.791 -8.869 -14.176 1.00 0.00 O ATOM 510 CB LYS A 32 12.423 -7.052 -14.128 1.00 0.00 C ATOM 511 CG LYS A 32 13.913 -6.792 -14.269 1.00 0.00 C ATOM 512 CD LYS A 32 14.563 -6.526 -12.922 1.00 0.00 C ATOM 513 CE LYS A 32 16.003 -6.065 -13.079 1.00 0.00 C ATOM 514 NZ LYS A 32 16.562 -5.544 -11.801 1.00 0.00 N ATOM 0 H LYS A 32 13.058 -7.158 -16.511 1.00 0.00 H new ATOM 0 HA LYS A 32 12.282 -9.108 -14.741 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.881 -6.126 -14.321 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.208 -7.338 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.390 -7.651 -14.741 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.073 -5.937 -14.926 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.993 -5.767 -12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.534 -7.433 -12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.614 -6.896 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.054 -5.288 -13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.397 -4.957 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.843 -4.970 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.837 -6.341 -11.192 1.00 0.00 H new ATOM 528 N HIS A 33 9.737 -7.443 -15.917 1.00 0.00 N ATOM 529 CA HIS A 33 8.280 -7.397 -15.975 1.00 0.00 C ATOM 530 C HIS A 33 7.705 -6.775 -14.706 1.00 0.00 C ATOM 531 O HIS A 33 6.613 -7.133 -14.267 1.00 0.00 O ATOM 532 CB HIS A 33 7.712 -8.803 -16.170 1.00 0.00 C ATOM 533 CG HIS A 33 6.494 -8.842 -17.040 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.321 -9.762 -18.053 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.384 -8.067 -17.045 1.00 0.00 C ATOM 536 CE1 HIS A 33 5.158 -9.550 -18.643 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.569 -8.528 -18.050 1.00 0.00 N ATOM 0 H HIS A 33 10.205 -6.868 -16.617 1.00 0.00 H new ATOM 0 HA HIS A 33 7.994 -6.777 -16.824 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.481 -9.439 -16.608 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.466 -9.225 -15.196 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.178 -7.240 -16.382 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.757 -10.117 -19.470 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.657 -8.143 -18.298 1.00 0.00 H new ATOM 545 N ALA A 34 8.449 -5.842 -14.121 1.00 0.00 N ATOM 546 CA ALA A 34 8.013 -5.169 -12.904 1.00 0.00 C ATOM 547 C ALA A 34 6.670 -4.476 -13.111 1.00 0.00 C ATOM 548 O ALA A 34 6.045 -4.614 -14.162 1.00 0.00 O ATOM 549 CB ALA A 34 9.063 -4.165 -12.450 1.00 0.00 C ATOM 0 H ALA A 34 9.357 -5.535 -14.471 1.00 0.00 H new ATOM 0 HA ALA A 34 7.888 -5.923 -12.127 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.724 -3.670 -11.540 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.001 -4.684 -12.253 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.217 -3.421 -13.232 1.00 0.00 H new ATOM 555 N ARG A 35 6.233 -3.730 -12.101 1.00 0.00 N ATOM 556 CA ARG A 35 4.963 -3.017 -12.172 1.00 0.00 C ATOM 557 C ARG A 35 5.108 -1.729 -12.976 1.00 0.00 C ATOM 558 O ARG A 35 4.401 -1.517 -13.961 1.00 0.00 O ATOM 559 CB ARG A 35 4.453 -2.699 -10.765 1.00 0.00 C ATOM 560 CG ARG A 35 4.779 -3.774 -9.742 1.00 0.00 C ATOM 561 CD ARG A 35 4.367 -5.153 -10.232 1.00 0.00 C ATOM 562 NE ARG A 35 5.519 -6.025 -10.445 1.00 0.00 N ATOM 563 CZ ARG A 35 5.479 -7.129 -11.184 1.00 0.00 C ATOM 564 NH1 ARG A 35 4.350 -7.493 -11.777 1.00 0.00 N ATOM 565 NH2 ARG A 35 6.569 -7.870 -11.331 1.00 0.00 N ATOM 0 H ARG A 35 6.739 -3.604 -11.225 1.00 0.00 H new ATOM 0 HA ARG A 35 4.241 -3.660 -12.675 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.885 -1.754 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.372 -2.560 -10.802 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.849 -3.766 -9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.269 -3.552 -8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.696 -5.610 -9.505 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.809 -5.055 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 35 6.403 -5.773 -10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.510 -6.925 -11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.322 -8.341 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.439 -7.593 -10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.537 -8.717 -11.898 1.00 0.00 H new ATOM 579 N SER A 36 6.028 -0.870 -12.548 1.00 0.00 N ATOM 580 CA SER A 36 6.262 0.400 -13.225 1.00 0.00 C ATOM 581 C SER A 36 7.754 0.631 -13.445 1.00 0.00 C ATOM 582 O SER A 36 8.192 0.921 -14.558 1.00 0.00 O ATOM 583 CB SER A 36 5.670 1.552 -12.412 1.00 0.00 C ATOM 584 OG SER A 36 5.302 1.123 -11.113 1.00 0.00 O ATOM 0 H SER A 36 6.623 -1.031 -11.736 1.00 0.00 H new ATOM 0 HA SER A 36 5.771 0.362 -14.197 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.397 2.361 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.797 1.954 -12.927 1.00 0.00 H new ATOM 0 HG SER A 36 4.928 1.878 -10.613 1.00 0.00 H new ATOM 590 N GLY A 37 8.531 0.500 -12.374 1.00 0.00 N ATOM 591 CA GLY A 37 9.966 0.698 -12.470 1.00 0.00 C ATOM 592 C GLY A 37 10.358 2.158 -12.359 1.00 0.00 C ATOM 593 O GLY A 37 9.755 3.019 -12.998 1.00 0.00 O ATOM 0 H GLY A 37 8.193 0.260 -11.442 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.462 0.131 -11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.322 0.301 -13.421 1.00 0.00 H new ATOM 597 N GLU A 38 11.370 2.437 -11.543 1.00 0.00 N ATOM 598 CA GLU A 38 11.840 3.804 -11.349 1.00 0.00 C ATOM 599 C GLU A 38 13.288 3.819 -10.868 1.00 0.00 C ATOM 600 O GLU A 38 13.825 2.794 -10.447 1.00 0.00 O ATOM 601 CB GLU A 38 10.949 4.535 -10.342 1.00 0.00 C ATOM 602 CG GLU A 38 9.664 5.076 -10.946 1.00 0.00 C ATOM 603 CD GLU A 38 8.959 6.060 -10.032 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.164 5.614 -9.179 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.203 7.277 -10.171 1.00 0.00 O ATOM 0 H GLU A 38 11.880 1.735 -11.006 1.00 0.00 H new ATOM 0 HA GLU A 38 11.789 4.318 -12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.699 3.853 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.511 5.361 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.890 5.564 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.993 4.246 -11.167 1.00 0.00 H new ATOM 612 N CYS A 39 13.915 4.988 -10.935 1.00 0.00 N ATOM 613 CA CYS A 39 15.301 5.138 -10.508 1.00 0.00 C ATOM 614 C CYS A 39 15.392 5.992 -9.247 1.00 0.00 C ATOM 615 O CYS A 39 14.700 7.001 -9.115 1.00 0.00 O ATOM 616 CB CYS A 39 16.135 5.770 -11.625 1.00 0.00 C ATOM 617 SG CYS A 39 16.260 4.748 -13.128 1.00 0.00 S ATOM 0 H CYS A 39 13.485 5.846 -11.281 1.00 0.00 H new ATOM 0 HA CYS A 39 15.695 4.147 -10.284 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.699 6.734 -11.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.139 5.967 -11.248 1.00 0.00 H new ATOM 622 N PHE A 40 16.252 5.579 -8.321 1.00 0.00 N ATOM 623 CA PHE A 40 16.434 6.304 -7.069 1.00 0.00 C ATOM 624 C PHE A 40 17.850 6.114 -6.531 1.00 0.00 C ATOM 625 O PHE A 40 18.544 5.167 -6.901 1.00 0.00 O ATOM 626 CB PHE A 40 15.414 5.834 -6.030 1.00 0.00 C ATOM 627 CG PHE A 40 13.988 6.039 -6.454 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.393 7.286 -6.351 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.242 4.984 -6.956 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.081 7.478 -6.741 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.930 5.170 -7.347 1.00 0.00 C ATOM 632 CZ PHE A 40 11.348 6.418 -7.239 1.00 0.00 C ATOM 0 H PHE A 40 16.833 4.746 -8.414 1.00 0.00 H new ATOM 0 HA PHE A 40 16.279 7.365 -7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.576 4.775 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.587 6.368 -5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.961 8.118 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.691 4.006 -7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.629 8.455 -6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.360 4.340 -7.737 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.322 6.565 -7.543 1.00 0.00 H new ATOM 642 N TYR A 41 18.270 7.022 -5.657 1.00 0.00 N ATOM 643 CA TYR A 41 19.603 6.957 -5.070 1.00 0.00 C ATOM 644 C TYR A 41 19.667 5.894 -3.978 1.00 0.00 C ATOM 645 O TYR A 41 18.657 5.569 -3.353 1.00 0.00 O ATOM 646 CB TYR A 41 19.997 8.319 -4.496 1.00 0.00 C ATOM 647 CG TYR A 41 20.329 9.348 -5.552 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.335 10.135 -6.121 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.638 9.535 -5.981 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.634 11.076 -7.086 1.00 0.00 C ATOM 651 CE2 TYR A 41 21.946 10.475 -6.945 1.00 0.00 C ATOM 652 CZ TYR A 41 20.941 11.243 -7.495 1.00 0.00 C ATOM 653 OH TYR A 41 21.243 12.180 -8.456 1.00 0.00 O ATOM 0 H TYR A 41 17.707 7.811 -5.340 1.00 0.00 H new ATOM 0 HA TYR A 41 20.306 6.685 -5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.180 8.694 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.859 8.192 -3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.311 10.008 -5.803 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.428 8.935 -5.553 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.849 11.678 -7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 41 22.968 10.608 -7.266 1.00 0.00 H new ATOM 0 HH TYR A 41 22.209 12.344 -8.461 1.00 0.00 H new ATOM 663 N ASP A 42 20.861 5.357 -3.752 1.00 0.00 N ATOM 664 CA ASP A 42 21.058 4.332 -2.734 1.00 0.00 C ATOM 665 C ASP A 42 21.603 4.943 -1.447 1.00 0.00 C ATOM 666 O ASP A 42 21.626 6.163 -1.289 1.00 0.00 O ATOM 667 CB ASP A 42 22.014 3.253 -3.245 1.00 0.00 C ATOM 668 CG ASP A 42 21.603 1.861 -2.808 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.436 1.485 -3.045 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.448 1.147 -2.227 1.00 0.00 O ATOM 0 H ASP A 42 21.707 5.615 -4.260 1.00 0.00 H new ATOM 0 HA ASP A 42 20.091 3.878 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.053 3.292 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.020 3.462 -2.882 1.00 0.00 H new ATOM 675 N GLU A 43 22.039 4.085 -0.529 1.00 0.00 N ATOM 676 CA GLU A 43 22.581 4.541 0.745 1.00 0.00 C ATOM 677 C GLU A 43 23.917 5.252 0.545 1.00 0.00 C ATOM 678 O GLU A 43 24.371 6.000 1.411 1.00 0.00 O ATOM 679 CB GLU A 43 22.758 3.360 1.702 1.00 0.00 C ATOM 680 CG GLU A 43 21.543 2.451 1.778 1.00 0.00 C ATOM 681 CD GLU A 43 21.654 1.420 2.884 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.331 1.757 4.043 1.00 0.00 O ATOM 683 OE2 GLU A 43 22.063 0.277 2.592 1.00 0.00 O ATOM 0 H GLU A 43 22.027 3.072 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 43 21.874 5.248 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.621 2.774 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.979 3.741 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.651 3.056 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.415 1.941 0.823 1.00 0.00 H new ATOM 690 N LYS A 44 24.541 5.012 -0.603 1.00 0.00 N ATOM 691 CA LYS A 44 25.824 5.629 -0.920 1.00 0.00 C ATOM 692 C LYS A 44 25.652 6.750 -1.939 1.00 0.00 C ATOM 693 O LYS A 44 26.607 7.144 -2.610 1.00 0.00 O ATOM 694 CB LYS A 44 26.798 4.579 -1.459 1.00 0.00 C ATOM 695 CG LYS A 44 27.675 3.955 -0.388 1.00 0.00 C ATOM 696 CD LYS A 44 29.149 4.218 -0.650 1.00 0.00 C ATOM 697 CE LYS A 44 29.822 3.017 -1.297 1.00 0.00 C ATOM 698 NZ LYS A 44 31.241 3.300 -1.648 1.00 0.00 N ATOM 0 H LYS A 44 24.179 4.394 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 44 26.230 6.056 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.231 3.792 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.434 5.040 -2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.401 4.357 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.497 2.880 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.255 5.089 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.650 4.456 0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.779 2.166 -0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.275 2.735 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.665 2.458 -2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.281 4.096 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.770 3.545 -0.786 1.00 0.00 H new ATOM 712 N ARG A 45 24.430 7.261 -2.050 1.00 0.00 N ATOM 713 CA ARG A 45 24.134 8.337 -2.988 1.00 0.00 C ATOM 714 C ARG A 45 24.341 7.876 -4.427 1.00 0.00 C ATOM 715 O ARG A 45 24.756 8.654 -5.285 1.00 0.00 O ATOM 716 CB ARG A 45 25.017 9.552 -2.698 1.00 0.00 C ATOM 717 CG ARG A 45 25.053 9.943 -1.230 1.00 0.00 C ATOM 718 CD ARG A 45 23.751 10.600 -0.796 1.00 0.00 C ATOM 719 NE ARG A 45 23.155 9.926 0.354 1.00 0.00 N ATOM 720 CZ ARG A 45 21.915 10.150 0.775 1.00 0.00 C ATOM 721 NH1 ARG A 45 21.144 11.024 0.142 1.00 0.00 N ATOM 722 NH2 ARG A 45 21.443 9.497 1.829 1.00 0.00 N ATOM 0 H ARG A 45 23.629 6.947 -1.502 1.00 0.00 H new ATOM 0 HA ARG A 45 23.088 8.618 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 45 26.032 9.341 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.658 10.399 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 45 25.236 9.058 -0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.883 10.627 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.937 11.645 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.046 10.591 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 45 23.721 9.246 0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.503 11.526 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.192 11.194 0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.032 8.822 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.491 9.670 2.152 1.00 0.00 H new ATOM 736 N ASN A 46 24.049 6.605 -4.684 1.00 0.00 N ATOM 737 CA ASN A 46 24.204 6.040 -6.020 1.00 0.00 C ATOM 738 C ASN A 46 22.846 5.726 -6.639 1.00 0.00 C ATOM 739 O ASN A 46 22.095 4.894 -6.127 1.00 0.00 O ATOM 740 CB ASN A 46 25.057 4.770 -5.963 1.00 0.00 C ATOM 741 CG ASN A 46 26.262 4.923 -5.054 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.823 6.011 -4.927 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.664 3.830 -4.417 1.00 0.00 N ATOM 0 H ASN A 46 23.704 5.947 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 46 24.705 6.780 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.444 3.939 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.393 4.516 -6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.469 3.871 -3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.168 2.949 -4.553 1.00 0.00 H new ATOM 750 N LEU A 47 22.536 6.396 -7.743 1.00 0.00 N ATOM 751 CA LEU A 47 21.268 6.188 -8.434 1.00 0.00 C ATOM 752 C LEU A 47 21.233 4.821 -9.108 1.00 0.00 C ATOM 753 O LEU A 47 22.063 4.519 -9.965 1.00 0.00 O ATOM 754 CB LEU A 47 21.045 7.288 -9.474 1.00 0.00 C ATOM 755 CG LEU A 47 19.783 8.133 -9.297 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.818 9.344 -10.217 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.540 7.296 -9.560 1.00 0.00 C ATOM 0 H LEU A 47 23.145 7.088 -8.179 1.00 0.00 H new ATOM 0 HA LEU A 47 20.469 6.228 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.908 7.953 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.014 6.826 -10.461 1.00 0.00 H new ATOM 0 HG LEU A 47 19.747 8.487 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.912 9.933 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.689 9.955 -9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.878 9.012 -11.253 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.651 7.913 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.569 6.912 -10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.508 6.462 -8.859 1.00 0.00 H new ATOM 769 N GLN A 48 20.264 3.999 -8.717 1.00 0.00 N ATOM 770 CA GLN A 48 20.120 2.664 -9.285 1.00 0.00 C ATOM 771 C GLN A 48 18.715 2.458 -9.842 1.00 0.00 C ATOM 772 O GLN A 48 17.768 3.129 -9.430 1.00 0.00 O ATOM 773 CB GLN A 48 20.423 1.601 -8.228 1.00 0.00 C ATOM 774 CG GLN A 48 21.858 1.632 -7.727 1.00 0.00 C ATOM 775 CD GLN A 48 22.239 0.376 -6.970 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.778 -0.570 -7.545 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.961 0.359 -5.671 1.00 0.00 N ATOM 0 H GLN A 48 19.568 4.234 -8.010 1.00 0.00 H new ATOM 0 HA GLN A 48 20.834 2.566 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.749 1.739 -7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.214 0.616 -8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.532 1.759 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.994 2.498 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.514 1.165 -5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 48 22.195 -0.460 -5.110 1.00 0.00 H new ATOM 786 N CYS A 49 18.587 1.527 -10.781 1.00 0.00 N ATOM 787 CA CYS A 49 17.298 1.233 -11.396 1.00 0.00 C ATOM 788 C CYS A 49 16.471 0.305 -10.510 1.00 0.00 C ATOM 789 O CYS A 49 16.535 -0.917 -10.643 1.00 0.00 O ATOM 790 CB CYS A 49 17.500 0.595 -12.772 1.00 0.00 C ATOM 791 SG CYS A 49 15.959 0.356 -13.714 1.00 0.00 S ATOM 0 H CYS A 49 19.360 0.963 -11.133 1.00 0.00 H new ATOM 0 HA CYS A 49 16.757 2.172 -11.513 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.176 1.220 -13.355 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.989 -0.371 -12.645 1.00 0.00 H new ATOM 796 N ILE A 50 15.697 0.895 -9.606 1.00 0.00 N ATOM 797 CA ILE A 50 14.857 0.123 -8.699 1.00 0.00 C ATOM 798 C ILE A 50 13.516 -0.213 -9.343 1.00 0.00 C ATOM 799 O ILE A 50 12.717 0.676 -9.640 1.00 0.00 O ATOM 800 CB ILE A 50 14.605 0.880 -7.382 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.883 0.923 -6.541 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.474 0.226 -6.603 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.316 2.324 -6.171 1.00 0.00 C ATOM 0 H ILE A 50 15.634 1.905 -9.482 1.00 0.00 H new ATOM 0 HA ILE A 50 15.395 -0.800 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 50 14.313 1.903 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.728 0.347 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.688 0.436 -7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.308 0.773 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.563 0.242 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.739 -0.806 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.228 2.278 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.504 2.898 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.529 2.807 -5.592 1.00 0.00 H new ATOM 815 N CYS A 51 13.274 -1.502 -9.556 1.00 0.00 N ATOM 816 CA CYS A 51 12.030 -1.957 -10.164 1.00 0.00 C ATOM 817 C CYS A 51 10.990 -2.283 -9.096 1.00 0.00 C ATOM 818 O CYS A 51 11.288 -2.271 -7.902 1.00 0.00 O ATOM 819 CB CYS A 51 12.284 -3.187 -11.037 1.00 0.00 C ATOM 820 SG CYS A 51 13.653 -2.988 -12.222 1.00 0.00 S ATOM 0 H CYS A 51 13.924 -2.251 -9.316 1.00 0.00 H new ATOM 0 HA CYS A 51 11.644 -1.151 -10.788 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.497 -4.039 -10.392 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.373 -3.423 -11.587 1.00 0.00 H new ATOM 825 N ASP A 52 9.771 -2.575 -9.535 1.00 0.00 N ATOM 826 CA ASP A 52 8.687 -2.907 -8.618 1.00 0.00 C ATOM 827 C ASP A 52 8.244 -4.355 -8.800 1.00 0.00 C ATOM 828 O ASP A 52 7.864 -4.765 -9.897 1.00 0.00 O ATOM 829 CB ASP A 52 7.500 -1.966 -8.835 1.00 0.00 C ATOM 830 CG ASP A 52 6.451 -2.097 -7.749 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.576 -3.014 -6.910 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.506 -1.281 -7.736 1.00 0.00 O ATOM 0 H ASP A 52 9.509 -2.589 -10.521 1.00 0.00 H new ATOM 0 HA ASP A 52 9.056 -2.785 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.857 -0.937 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.045 -2.177 -9.803 1.00 0.00 H new ATOM 837 N TYR A 53 8.297 -5.125 -7.719 1.00 0.00 N ATOM 838 CA TYR A 53 7.905 -6.529 -7.761 1.00 0.00 C ATOM 839 C TYR A 53 6.833 -6.826 -6.717 1.00 0.00 C ATOM 840 O TYR A 53 7.114 -6.886 -5.520 1.00 0.00 O ATOM 841 CB TYR A 53 9.121 -7.427 -7.528 1.00 0.00 C ATOM 842 CG TYR A 53 9.750 -7.938 -8.805 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.726 -7.202 -9.465 1.00 0.00 C ATOM 844 CD2 TYR A 53 9.368 -9.157 -9.351 1.00 0.00 C ATOM 845 CE1 TYR A 53 11.303 -7.665 -10.632 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.939 -9.628 -10.517 1.00 0.00 C ATOM 847 CZ TYR A 53 10.906 -8.878 -11.154 1.00 0.00 C ATOM 848 OH TYR A 53 11.479 -9.343 -12.315 1.00 0.00 O ATOM 0 H TYR A 53 8.607 -4.801 -6.803 1.00 0.00 H new ATOM 0 HA TYR A 53 7.493 -6.736 -8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.869 -6.872 -6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.822 -8.277 -6.915 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.039 -6.252 -9.059 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.611 -9.747 -8.855 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.061 -7.080 -11.132 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.630 -10.578 -10.928 1.00 0.00 H new ATOM 0 HH TYR A 53 10.777 -9.546 -12.968 1.00 0.00 H new ATOM 858 N CYS A 54 5.601 -7.012 -7.180 1.00 0.00 N ATOM 859 CA CYS A 54 4.484 -7.303 -6.290 1.00 0.00 C ATOM 860 C CYS A 54 3.174 -7.382 -7.068 1.00 0.00 C ATOM 861 O CYS A 54 2.654 -8.469 -7.317 1.00 0.00 O ATOM 862 CB CYS A 54 4.380 -6.233 -5.202 1.00 0.00 C ATOM 863 SG CYS A 54 4.758 -6.838 -3.525 1.00 0.00 S ATOM 0 H CYS A 54 5.351 -6.966 -8.168 1.00 0.00 H new ATOM 0 HA CYS A 54 4.667 -8.271 -5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.060 -5.417 -5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.371 -5.820 -5.209 1.00 0.00 H new ATOM 868 N GLU A 55 2.648 -6.222 -7.449 1.00 0.00 N ATOM 869 CA GLU A 55 1.398 -6.161 -8.199 1.00 0.00 C ATOM 870 C GLU A 55 0.236 -6.690 -7.363 1.00 0.00 C ATOM 871 O GLU A 55 0.426 -7.512 -6.467 1.00 0.00 O ATOM 872 CB GLU A 55 1.516 -6.963 -9.496 1.00 0.00 C ATOM 873 CG GLU A 55 1.115 -6.180 -10.735 1.00 0.00 C ATOM 874 CD GLU A 55 0.345 -7.023 -11.733 1.00 0.00 C ATOM 875 OE1 GLU A 55 0.981 -7.824 -12.450 1.00 0.00 O ATOM 876 OE2 GLU A 55 -0.894 -6.880 -11.798 1.00 0.00 O ATOM 0 H GLU A 55 3.067 -5.313 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 55 1.201 -5.117 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.545 -7.305 -9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.891 -7.853 -9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.505 -5.326 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.009 -5.782 -11.214 1.00 0.00 H new ATOM 883 N TYR A 56 -0.966 -6.213 -7.664 1.00 0.00 N ATOM 884 CA TYR A 56 -2.159 -6.635 -6.940 1.00 0.00 C ATOM 885 C TYR A 56 -3.254 -7.078 -7.905 1.00 0.00 C ATOM 886 O TYR A 56 -3.709 -8.220 -7.861 1.00 0.00 O ATOM 887 CB TYR A 56 -2.673 -5.498 -6.055 1.00 0.00 C ATOM 888 CG TYR A 56 -2.802 -4.177 -6.780 1.00 0.00 C ATOM 889 CD1 TYR A 56 -3.844 -3.950 -7.670 1.00 0.00 C ATOM 890 CD2 TYR A 56 -1.880 -3.158 -6.575 1.00 0.00 C ATOM 891 CE1 TYR A 56 -3.965 -2.745 -8.335 1.00 0.00 C ATOM 892 CE2 TYR A 56 -1.994 -1.950 -7.235 1.00 0.00 C ATOM 893 CZ TYR A 56 -3.038 -1.748 -8.113 1.00 0.00 C ATOM 894 OH TYR A 56 -3.154 -0.546 -8.773 1.00 0.00 O ATOM 0 H TYR A 56 -1.140 -5.534 -8.405 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.890 -7.483 -6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.645 -5.776 -5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.998 -5.374 -5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.572 -4.728 -7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.061 -3.313 -5.888 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.781 -2.585 -9.025 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.269 -1.168 -7.064 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.422 0.047 -8.504 1.00 0.00 H new TER 904 TYR A 56