USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 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= -0.694 X(o=-2.9,f=-3) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.21 X(o=-2.9,f=-2.7) USER MOD Single : A 1 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.99!) USER MOD Single : A 1 GLN N :NH3+ -151:sc= 0.00619 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0214) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0524) 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 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 126:sc= -0.704 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.5!) USER MOD Single : A 23 GLN : amide:sc=-0.00274 X(o=-0.0027,f=-0.15) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= -0.186 (180deg=-1.07) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0.745 (180deg=0.198!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0837 X(o=-0.084,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0395 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.4) USER MOD Single : A 48 GLN : amide:sc= -2.08 K(o=-2.1,f=-5.8!) USER MOD Single : A 53 TYR OH : rot -125:sc= 0.316 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.204 2.610 0.604 1.00 0.00 N ATOM 2 CA GLN A 1 2.677 1.989 -0.628 1.00 0.00 C ATOM 3 C GLN A 1 4.200 2.005 -0.696 1.00 0.00 C ATOM 4 O GLN A 1 4.870 2.393 0.262 1.00 0.00 O ATOM 5 CB GLN A 1 2.093 2.710 -1.844 1.00 0.00 C ATOM 6 CG GLN A 1 1.272 1.807 -2.751 1.00 0.00 C ATOM 7 CD GLN A 1 -0.209 2.128 -2.707 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.601 3.285 -2.554 1.00 0.00 O ATOM 9 NE2 GLN A 1 -1.041 1.102 -2.843 1.00 0.00 N ATOM 0 H1 GLN A 1 1.295 2.186 0.879 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.901 2.456 1.360 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.078 3.631 0.452 1.00 0.00 H new ATOM 0 HA GLN A 1 2.342 0.952 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.466 3.533 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.907 3.148 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.631 1.904 -3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 1 1.424 0.768 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -0.672 0.159 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.049 1.257 -2.823 1.00 0.00 H new ATOM 18 N ASP A 2 4.741 1.580 -1.832 1.00 0.00 N ATOM 19 CA ASP A 2 6.187 1.546 -2.025 1.00 0.00 C ATOM 20 C ASP A 2 6.860 0.709 -0.942 1.00 0.00 C ATOM 21 O ASP A 2 7.875 1.110 -0.372 1.00 0.00 O ATOM 22 CB ASP A 2 6.757 2.965 -2.018 1.00 0.00 C ATOM 23 CG ASP A 2 6.309 3.775 -3.218 1.00 0.00 C ATOM 24 OD1 ASP A 2 6.884 3.585 -4.311 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.383 4.599 -3.066 1.00 0.00 O ATOM 0 H ASP A 2 4.201 1.254 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 2 6.389 1.086 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.448 3.473 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.846 2.916 -2.002 1.00 0.00 H new ATOM 30 N LYS A 3 6.287 -0.457 -0.661 1.00 0.00 N ATOM 31 CA LYS A 3 6.831 -1.353 0.353 1.00 0.00 C ATOM 32 C LYS A 3 7.631 -2.481 -0.290 1.00 0.00 C ATOM 33 O LYS A 3 8.452 -3.124 0.364 1.00 0.00 O ATOM 34 CB LYS A 3 5.701 -1.935 1.206 1.00 0.00 C ATOM 35 CG LYS A 3 4.603 -0.936 1.526 1.00 0.00 C ATOM 36 CD LYS A 3 4.214 -0.987 2.994 1.00 0.00 C ATOM 37 CE LYS A 3 4.773 0.201 3.761 1.00 0.00 C ATOM 38 NZ LYS A 3 6.263 0.216 3.752 1.00 0.00 N ATOM 0 H LYS A 3 5.446 -0.804 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 3 7.500 -0.776 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.265 -2.786 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.119 -2.313 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.939 0.069 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.729 -1.145 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.128 -1.000 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.582 -1.913 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.398 1.126 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.416 0.169 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.606 0.991 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.621 -0.690 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.603 0.358 2.779 1.00 0.00 H new ATOM 52 N CYS A 4 7.387 -2.716 -1.575 1.00 0.00 N ATOM 53 CA CYS A 4 8.085 -3.765 -2.307 1.00 0.00 C ATOM 54 C CYS A 4 8.776 -3.199 -3.544 1.00 0.00 C ATOM 55 O CYS A 4 8.213 -2.371 -4.260 1.00 0.00 O ATOM 56 CB CYS A 4 7.106 -4.868 -2.717 1.00 0.00 C ATOM 57 SG CYS A 4 5.546 -4.251 -3.427 1.00 0.00 S ATOM 0 H CYS A 4 6.710 -2.193 -2.131 1.00 0.00 H new ATOM 0 HA CYS A 4 8.845 -4.188 -1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.592 -5.518 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.879 -5.480 -1.844 1.00 0.00 H new ATOM 62 N LYS A 5 10.002 -3.650 -3.788 1.00 0.00 N ATOM 63 CA LYS A 5 10.771 -3.191 -4.938 1.00 0.00 C ATOM 64 C LYS A 5 11.992 -4.077 -5.165 1.00 0.00 C ATOM 65 O LYS A 5 12.284 -4.966 -4.365 1.00 0.00 O ATOM 66 CB LYS A 5 11.212 -1.739 -4.736 1.00 0.00 C ATOM 67 CG LYS A 5 11.961 -1.507 -3.435 1.00 0.00 C ATOM 68 CD LYS A 5 13.422 -1.906 -3.554 1.00 0.00 C ATOM 69 CE LYS A 5 14.345 -0.779 -3.114 1.00 0.00 C ATOM 70 NZ LYS A 5 15.766 -1.219 -3.051 1.00 0.00 N ATOM 0 H LYS A 5 10.484 -4.333 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 5 10.131 -3.251 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.848 -1.442 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.333 -1.094 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.892 -0.455 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.490 -2.080 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.610 -2.790 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.643 -2.177 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.254 0.057 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.033 -0.416 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.383 -0.388 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.898 -1.851 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.011 -1.726 -3.925 1.00 0.00 H new ATOM 84 N LYS A 6 12.703 -3.828 -6.260 1.00 0.00 N ATOM 85 CA LYS A 6 13.894 -4.601 -6.592 1.00 0.00 C ATOM 86 C LYS A 6 14.906 -3.744 -7.346 1.00 0.00 C ATOM 87 O LYS A 6 14.662 -3.332 -8.480 1.00 0.00 O ATOM 88 CB LYS A 6 13.516 -5.823 -7.433 1.00 0.00 C ATOM 89 CG LYS A 6 12.785 -6.898 -6.648 1.00 0.00 C ATOM 90 CD LYS A 6 12.678 -8.191 -7.441 1.00 0.00 C ATOM 91 CE LYS A 6 13.730 -9.199 -7.007 1.00 0.00 C ATOM 92 NZ LYS A 6 13.232 -10.599 -7.109 1.00 0.00 N ATOM 0 H LYS A 6 12.475 -3.096 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 6 14.351 -4.936 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.888 -5.502 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.421 -6.251 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.310 -7.087 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.787 -6.545 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.685 -8.620 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.793 -7.978 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.620 -9.084 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.028 -8.993 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.978 -11.256 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.398 -10.716 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.972 -10.804 -8.095 1.00 0.00 H new ATOM 106 N VAL A 7 16.043 -3.481 -6.709 1.00 0.00 N ATOM 107 CA VAL A 7 17.093 -2.676 -7.322 1.00 0.00 C ATOM 108 C VAL A 7 17.854 -3.474 -8.374 1.00 0.00 C ATOM 109 O VAL A 7 18.098 -4.669 -8.205 1.00 0.00 O ATOM 110 CB VAL A 7 18.088 -2.156 -6.267 1.00 0.00 C ATOM 111 CG1 VAL A 7 18.853 -3.311 -5.640 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.043 -1.148 -6.888 1.00 0.00 C ATOM 0 H VAL A 7 16.260 -3.813 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 7 16.604 -1.827 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 7 17.527 -1.653 -5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.551 -2.925 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.152 -3.993 -5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.405 -3.844 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.739 -0.791 -6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.599 -1.624 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.476 -0.306 -7.285 1.00 0.00 H new ATOM 122 N TYR A 8 18.229 -2.806 -9.459 1.00 0.00 N ATOM 123 CA TYR A 8 18.962 -3.453 -10.540 1.00 0.00 C ATOM 124 C TYR A 8 20.378 -2.894 -10.649 1.00 0.00 C ATOM 125 O TYR A 8 20.628 -1.953 -11.401 1.00 0.00 O ATOM 126 CB TYR A 8 18.225 -3.268 -11.867 1.00 0.00 C ATOM 127 CG TYR A 8 18.641 -4.255 -12.934 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.828 -5.598 -12.631 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.848 -3.844 -14.245 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.209 -6.503 -13.602 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.228 -4.743 -15.223 1.00 0.00 C ATOM 132 CZ TYR A 8 19.407 -6.071 -14.897 1.00 0.00 C ATOM 133 OH TYR A 8 19.787 -6.968 -15.868 1.00 0.00 O ATOM 0 H TYR A 8 18.037 -1.816 -9.613 1.00 0.00 H new ATOM 0 HA TYR A 8 19.027 -4.517 -10.314 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.153 -3.363 -11.694 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.400 -2.256 -12.232 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.673 -5.940 -11.618 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.710 -2.805 -14.504 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.351 -7.543 -13.349 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.384 -4.407 -16.238 1.00 0.00 H new ATOM 0 HH TYR A 8 19.883 -6.502 -16.725 1.00 0.00 H new ATOM 143 N GLU A 9 21.300 -3.484 -9.894 1.00 0.00 N ATOM 144 CA GLU A 9 22.690 -3.045 -9.906 1.00 0.00 C ATOM 145 C GLU A 9 23.296 -3.193 -11.299 1.00 0.00 C ATOM 146 O GLU A 9 24.333 -2.606 -11.601 1.00 0.00 O ATOM 147 CB GLU A 9 23.510 -3.847 -8.893 1.00 0.00 C ATOM 148 CG GLU A 9 22.852 -3.957 -7.528 1.00 0.00 C ATOM 149 CD GLU A 9 23.798 -4.480 -6.465 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.391 -5.559 -6.678 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.946 -3.813 -5.420 1.00 0.00 O ATOM 0 H GLU A 9 21.109 -4.266 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 9 22.714 -1.991 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.679 -4.849 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.488 -3.380 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.480 -2.977 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.988 -4.618 -7.597 1.00 0.00 H new ATOM 158 N ASN A 10 22.639 -3.984 -12.142 1.00 0.00 N ATOM 159 CA ASN A 10 23.113 -4.211 -13.502 1.00 0.00 C ATOM 160 C ASN A 10 22.481 -3.217 -14.471 1.00 0.00 C ATOM 161 O ASN A 10 21.935 -3.603 -15.505 1.00 0.00 O ATOM 162 CB ASN A 10 22.796 -5.641 -13.943 1.00 0.00 C ATOM 163 CG ASN A 10 23.660 -6.669 -13.237 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.781 -6.949 -13.660 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.140 -7.236 -12.154 1.00 0.00 N ATOM 0 H ASN A 10 21.778 -4.478 -11.907 1.00 0.00 H new ATOM 0 HA ASN A 10 24.193 -4.066 -13.512 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.746 -5.855 -13.745 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.941 -5.727 -15.020 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.675 -7.934 -11.637 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.206 -6.973 -11.839 1.00 0.00 H new ATOM 172 N TYR A 11 22.559 -1.935 -14.130 1.00 0.00 N ATOM 173 CA TYR A 11 21.994 -0.885 -14.969 1.00 0.00 C ATOM 174 C TYR A 11 22.792 0.408 -14.835 1.00 0.00 C ATOM 175 O TYR A 11 23.228 0.789 -13.748 1.00 0.00 O ATOM 176 CB TYR A 11 20.532 -0.636 -14.594 1.00 0.00 C ATOM 177 CG TYR A 11 19.635 -0.388 -15.786 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.257 -1.429 -16.625 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.167 0.888 -16.074 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.439 -1.207 -17.716 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.347 1.120 -17.161 1.00 0.00 C ATOM 182 CZ TYR A 11 17.986 0.069 -17.979 1.00 0.00 C ATOM 183 OH TYR A 11 17.171 0.296 -19.064 1.00 0.00 O ATOM 0 H TYR A 11 23.008 -1.598 -13.278 1.00 0.00 H new ATOM 0 HA TYR A 11 22.045 -1.216 -16.006 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.156 -1.496 -14.040 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.478 0.223 -13.925 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.609 -2.429 -16.421 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.449 1.713 -15.437 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.156 -2.027 -18.359 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.991 2.118 -17.369 1.00 0.00 H new ATOM 0 HH TYR A 11 16.357 0.756 -18.771 1.00 0.00 H new ATOM 193 N PRO A 12 22.988 1.101 -15.966 1.00 0.00 N ATOM 194 CA PRO A 12 23.733 2.363 -16.003 1.00 0.00 C ATOM 195 C PRO A 12 22.980 3.501 -15.320 1.00 0.00 C ATOM 196 O PRO A 12 21.838 3.800 -15.670 1.00 0.00 O ATOM 197 CB PRO A 12 23.883 2.644 -17.500 1.00 0.00 C ATOM 198 CG PRO A 12 22.739 1.932 -18.135 1.00 0.00 C ATOM 199 CD PRO A 12 22.496 0.707 -17.297 1.00 0.00 C ATOM 0 HA PRO A 12 24.682 2.291 -15.472 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.848 3.713 -17.708 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.837 2.277 -17.878 1.00 0.00 H new ATOM 0 HG2 PRO A 12 21.853 2.566 -18.165 1.00 0.00 H new ATOM 0 HG3 PRO A 12 22.972 1.660 -19.165 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.439 0.440 -17.272 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.034 -0.158 -17.684 1.00 0.00 H new ATOM 207 N VAL A 13 23.627 4.131 -14.346 1.00 0.00 N ATOM 208 CA VAL A 13 23.019 5.237 -13.615 1.00 0.00 C ATOM 209 C VAL A 13 22.773 6.431 -14.531 1.00 0.00 C ATOM 210 O VAL A 13 21.975 7.314 -14.216 1.00 0.00 O ATOM 211 CB VAL A 13 23.902 5.683 -12.435 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.305 4.487 -11.587 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.130 6.427 -12.940 1.00 0.00 C ATOM 0 H VAL A 13 24.572 3.895 -14.044 1.00 0.00 H new ATOM 0 HA VAL A 13 22.066 4.876 -13.229 1.00 0.00 H new ATOM 0 HB VAL A 13 23.325 6.363 -11.809 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.929 4.822 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.411 4.001 -11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.864 3.779 -12.199 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.743 6.735 -12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.711 5.772 -13.589 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.817 7.308 -13.500 1.00 0.00 H new ATOM 223 N SER A 14 23.463 6.451 -15.667 1.00 0.00 N ATOM 224 CA SER A 14 23.322 7.539 -16.628 1.00 0.00 C ATOM 225 C SER A 14 21.928 7.537 -17.249 1.00 0.00 C ATOM 226 O SER A 14 21.223 8.546 -17.225 1.00 0.00 O ATOM 227 CB SER A 14 24.382 7.419 -17.725 1.00 0.00 C ATOM 228 OG SER A 14 25.238 8.548 -17.732 1.00 0.00 O ATOM 0 H SER A 14 24.125 5.726 -15.944 1.00 0.00 H new ATOM 0 HA SER A 14 23.463 8.481 -16.098 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.970 6.514 -17.570 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.896 7.321 -18.696 1.00 0.00 H new ATOM 0 HG SER A 14 25.907 8.447 -18.440 1.00 0.00 H new ATOM 234 N LYS A 15 21.537 6.396 -17.806 1.00 0.00 N ATOM 235 CA LYS A 15 20.228 6.259 -18.433 1.00 0.00 C ATOM 236 C LYS A 15 19.113 6.557 -17.436 1.00 0.00 C ATOM 237 O LYS A 15 17.991 6.886 -17.823 1.00 0.00 O ATOM 238 CB LYS A 15 20.056 4.848 -19.001 1.00 0.00 C ATOM 239 CG LYS A 15 20.188 4.780 -20.512 1.00 0.00 C ATOM 240 CD LYS A 15 19.556 3.516 -21.071 1.00 0.00 C ATOM 241 CE LYS A 15 20.591 2.621 -21.734 1.00 0.00 C ATOM 242 NZ LYS A 15 20.005 1.826 -22.848 1.00 0.00 N ATOM 0 H LYS A 15 22.109 5.552 -17.836 1.00 0.00 H new ATOM 0 HA LYS A 15 20.166 6.981 -19.247 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.799 4.191 -18.550 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.076 4.466 -18.713 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.714 5.653 -20.959 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.242 4.814 -20.788 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.062 2.969 -20.268 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.787 3.783 -21.796 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.409 3.232 -22.115 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.017 1.946 -20.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.742 1.229 -23.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.241 1.223 -22.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.621 2.469 -23.569 1.00 0.00 H new ATOM 256 N CYS A 16 19.429 6.441 -16.150 1.00 0.00 N ATOM 257 CA CYS A 16 18.454 6.699 -15.097 1.00 0.00 C ATOM 258 C CYS A 16 18.203 8.196 -14.943 1.00 0.00 C ATOM 259 O CYS A 16 17.058 8.647 -14.957 1.00 0.00 O ATOM 260 CB CYS A 16 18.940 6.113 -13.770 1.00 0.00 C ATOM 261 SG CYS A 16 18.383 4.407 -13.461 1.00 0.00 S ATOM 0 H CYS A 16 20.353 6.170 -15.812 1.00 0.00 H new ATOM 0 HA CYS A 16 17.517 6.219 -15.378 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.030 6.137 -13.752 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.594 6.750 -12.956 1.00 0.00 H new ATOM 266 N GLN A 17 19.281 8.960 -14.797 1.00 0.00 N ATOM 267 CA GLN A 17 19.176 10.406 -14.641 1.00 0.00 C ATOM 268 C GLN A 17 18.590 11.048 -15.894 1.00 0.00 C ATOM 269 O GLN A 17 18.164 12.204 -15.871 1.00 0.00 O ATOM 270 CB GLN A 17 20.550 11.008 -14.340 1.00 0.00 C ATOM 271 CG GLN A 17 21.106 10.605 -12.984 1.00 0.00 C ATOM 272 CD GLN A 17 22.405 9.830 -13.093 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.174 10.014 -14.036 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.656 8.956 -12.125 1.00 0.00 N ATOM 0 H GLN A 17 20.236 8.602 -14.783 1.00 0.00 H new ATOM 0 HA GLN A 17 18.507 10.608 -13.805 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.250 10.701 -15.117 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.480 12.095 -14.386 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.270 11.499 -12.382 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.368 9.998 -12.459 1.00 0.00 H new ATOM 0 HE21 GLN A 17 21.990 8.835 -11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.514 8.405 -12.145 1.00 0.00 H new ATOM 283 N LEU A 18 18.570 10.292 -16.986 1.00 0.00 N ATOM 284 CA LEU A 18 18.036 10.788 -18.250 1.00 0.00 C ATOM 285 C LEU A 18 16.530 11.008 -18.155 1.00 0.00 C ATOM 286 O LEU A 18 15.741 10.121 -18.484 1.00 0.00 O ATOM 287 CB LEU A 18 18.350 9.805 -19.379 1.00 0.00 C ATOM 288 CG LEU A 18 19.576 10.131 -20.232 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.051 8.895 -20.980 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.265 11.259 -21.205 1.00 0.00 C ATOM 0 H LEU A 18 18.917 9.334 -17.022 1.00 0.00 H new ATOM 0 HA LEU A 18 18.511 11.745 -18.467 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.488 8.815 -18.944 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.481 9.747 -20.035 1.00 0.00 H new ATOM 0 HG LEU A 18 20.377 10.460 -19.570 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.924 9.147 -21.582 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.316 8.116 -20.265 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.254 8.535 -21.631 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.149 11.477 -21.804 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.448 10.959 -21.861 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.975 12.150 -20.648 1.00 0.00 H new ATOM 302 N ARG A 19 16.138 12.196 -17.707 1.00 0.00 N ATOM 303 CA ARG A 19 14.726 12.533 -17.571 1.00 0.00 C ATOM 304 C ARG A 19 14.048 12.596 -18.936 1.00 0.00 C ATOM 305 O ARG A 19 12.830 12.446 -19.043 1.00 0.00 O ATOM 306 CB ARG A 19 14.566 13.871 -16.847 1.00 0.00 C ATOM 307 CG ARG A 19 15.179 13.889 -15.457 1.00 0.00 C ATOM 308 CD ARG A 19 14.138 13.609 -14.385 1.00 0.00 C ATOM 309 NE ARG A 19 14.735 13.498 -13.057 1.00 0.00 N ATOM 310 CZ ARG A 19 15.176 14.540 -12.361 1.00 0.00 C ATOM 311 NH1 ARG A 19 15.088 15.763 -12.864 1.00 0.00 N ATOM 312 NH2 ARG A 19 15.707 14.358 -11.158 1.00 0.00 N ATOM 0 H ARG A 19 16.778 12.941 -17.432 1.00 0.00 H new ATOM 0 HA ARG A 19 14.247 11.750 -16.983 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.025 14.656 -17.447 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.505 14.108 -16.770 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.972 13.144 -15.399 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.639 14.860 -15.274 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.396 14.407 -14.383 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.611 12.685 -14.624 1.00 0.00 H new ATOM 0 HE ARG A 19 14.818 12.570 -12.641 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.681 15.906 -13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.428 16.561 -12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.776 13.418 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.046 15.158 -10.624 1.00 0.00 H new ATOM 326 N ILE A 20 14.844 12.820 -19.976 1.00 0.00 N ATOM 327 CA ILE A 20 14.320 12.902 -21.334 1.00 0.00 C ATOM 328 C ILE A 20 14.043 11.514 -21.902 1.00 0.00 C ATOM 329 O ILE A 20 13.151 11.339 -22.731 1.00 0.00 O ATOM 330 CB ILE A 20 15.295 13.642 -22.269 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.823 14.909 -21.593 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.611 13.983 -23.585 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.791 15.693 -22.451 1.00 0.00 C ATOM 0 H ILE A 20 15.853 12.948 -19.904 1.00 0.00 H new ATOM 0 HA ILE A 20 13.386 13.462 -21.279 1.00 0.00 H new ATOM 0 HB ILE A 20 16.140 12.987 -22.480 1.00 0.00 H new ATOM 0 HG12 ILE A 20 14.981 15.550 -21.332 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.316 14.635 -20.661 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.313 14.506 -24.235 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.280 13.065 -24.071 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.750 14.623 -23.392 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.124 16.578 -21.908 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.652 15.069 -22.691 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.296 15.998 -23.373 1.00 0.00 H new ATOM 345 N ALA A 21 14.812 10.531 -21.447 1.00 0.00 N ATOM 346 CA ALA A 21 14.647 9.157 -21.907 1.00 0.00 C ATOM 347 C ALA A 21 14.924 8.165 -20.782 1.00 0.00 C ATOM 348 O ALA A 21 16.015 7.604 -20.692 1.00 0.00 O ATOM 349 CB ALA A 21 15.562 8.884 -23.092 1.00 0.00 C ATOM 0 H ALA A 21 15.555 10.660 -20.760 1.00 0.00 H new ATOM 0 HA ALA A 21 13.612 9.027 -22.224 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.429 7.855 -23.425 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.315 9.564 -23.907 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.599 9.037 -22.794 1.00 0.00 H new ATOM 355 N ASN A 22 13.929 7.955 -19.927 1.00 0.00 N ATOM 356 CA ASN A 22 14.066 7.031 -18.807 1.00 0.00 C ATOM 357 C ASN A 22 13.779 5.598 -19.245 1.00 0.00 C ATOM 358 O ASN A 22 12.649 5.122 -19.138 1.00 0.00 O ATOM 359 CB ASN A 22 13.120 7.429 -17.672 1.00 0.00 C ATOM 360 CG ASN A 22 13.779 7.335 -16.310 1.00 0.00 C ATOM 361 OD1 ASN A 22 14.934 7.726 -16.139 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.046 6.815 -15.332 1.00 0.00 N ATOM 0 H ASN A 22 13.019 8.412 -19.988 1.00 0.00 H new ATOM 0 HA ASN A 22 15.094 7.083 -18.449 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.771 8.449 -17.834 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.241 6.785 -17.693 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.436 6.727 -14.394 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.093 6.504 -15.519 1.00 0.00 H new ATOM 369 N GLN A 23 14.809 4.918 -19.737 1.00 0.00 N ATOM 370 CA GLN A 23 14.667 3.540 -20.192 1.00 0.00 C ATOM 371 C GLN A 23 14.642 2.577 -19.010 1.00 0.00 C ATOM 372 O GLN A 23 14.493 1.367 -19.184 1.00 0.00 O ATOM 373 CB GLN A 23 15.810 3.173 -21.140 1.00 0.00 C ATOM 374 CG GLN A 23 15.347 2.836 -22.548 1.00 0.00 C ATOM 375 CD GLN A 23 14.980 1.374 -22.708 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.775 0.485 -22.401 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.769 1.116 -23.189 1.00 0.00 N ATOM 0 H GLN A 23 15.751 5.298 -19.831 1.00 0.00 H new ATOM 0 HA GLN A 23 13.721 3.456 -20.726 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.513 4.004 -21.187 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.351 2.320 -20.730 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.484 3.453 -22.800 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.137 3.088 -23.256 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.142 1.883 -23.431 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.466 0.150 -23.317 1.00 0.00 H new ATOM 386 N CYS A 24 14.788 3.121 -17.806 1.00 0.00 N ATOM 387 CA CYS A 24 14.783 2.311 -16.594 1.00 0.00 C ATOM 388 C CYS A 24 13.414 1.675 -16.370 1.00 0.00 C ATOM 389 O CYS A 24 13.286 0.453 -16.322 1.00 0.00 O ATOM 390 CB CYS A 24 15.165 3.165 -15.384 1.00 0.00 C ATOM 391 SG CYS A 24 16.684 2.619 -14.539 1.00 0.00 S ATOM 0 H CYS A 24 14.911 4.120 -17.644 1.00 0.00 H new ATOM 0 HA CYS A 24 15.518 1.515 -16.716 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.293 4.198 -15.708 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.341 3.154 -14.670 1.00 0.00 H new ATOM 396 N ASN A 25 12.393 2.515 -16.235 1.00 0.00 N ATOM 397 CA ASN A 25 11.033 2.036 -16.016 1.00 0.00 C ATOM 398 C ASN A 25 10.595 1.106 -17.143 1.00 0.00 C ATOM 399 O ASN A 25 9.920 0.104 -16.909 1.00 0.00 O ATOM 400 CB ASN A 25 10.065 3.216 -15.909 1.00 0.00 C ATOM 401 CG ASN A 25 9.872 3.928 -17.234 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.139 3.456 -18.103 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.531 5.069 -17.394 1.00 0.00 N ATOM 0 H ASN A 25 12.482 3.530 -16.273 1.00 0.00 H new ATOM 0 HA ASN A 25 11.019 1.476 -15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.100 2.859 -15.547 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.440 3.924 -15.170 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.441 5.592 -18.265 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.128 5.422 -16.646 1.00 0.00 H new ATOM 410 N TYR A 26 10.985 1.445 -18.367 1.00 0.00 N ATOM 411 CA TYR A 26 10.632 0.642 -19.532 1.00 0.00 C ATOM 412 C TYR A 26 11.395 -0.679 -19.534 1.00 0.00 C ATOM 413 O TYR A 26 10.874 -1.709 -19.962 1.00 0.00 O ATOM 414 CB TYR A 26 10.925 1.415 -20.818 1.00 0.00 C ATOM 415 CG TYR A 26 9.834 1.297 -21.858 1.00 0.00 C ATOM 416 CD1 TYR A 26 8.549 1.760 -21.601 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.087 0.723 -23.098 1.00 0.00 C ATOM 418 CE1 TYR A 26 7.549 1.654 -22.547 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.093 0.614 -24.051 1.00 0.00 C ATOM 420 CZ TYR A 26 7.825 1.080 -23.770 1.00 0.00 C ATOM 421 OH TYR A 26 6.832 0.974 -24.716 1.00 0.00 O ATOM 0 H TYR A 26 11.546 2.270 -18.578 1.00 0.00 H new ATOM 0 HA TYR A 26 9.565 0.425 -19.482 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.070 2.467 -20.574 1.00 0.00 H new ATOM 0 HB3 TYR A 26 11.861 1.054 -21.243 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.329 2.211 -20.645 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.078 0.356 -23.320 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.556 2.019 -22.330 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.307 0.167 -25.010 1.00 0.00 H new ATOM 0 HH TYR A 26 7.192 0.547 -25.522 1.00 0.00 H new ATOM 431 N ASP A 27 12.633 -0.641 -19.052 1.00 0.00 N ATOM 432 CA ASP A 27 13.469 -1.835 -18.996 1.00 0.00 C ATOM 433 C ASP A 27 12.948 -2.814 -17.948 1.00 0.00 C ATOM 434 O ASP A 27 12.874 -4.019 -18.191 1.00 0.00 O ATOM 435 CB ASP A 27 14.916 -1.455 -18.682 1.00 0.00 C ATOM 436 CG ASP A 27 15.731 -2.635 -18.191 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.181 -3.437 -19.035 1.00 0.00 O ATOM 438 OD2 ASP A 27 15.919 -2.757 -16.962 1.00 0.00 O ATOM 0 H ASP A 27 13.080 0.204 -18.695 1.00 0.00 H new ATOM 0 HA ASP A 27 13.432 -2.321 -19.971 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.382 -1.042 -19.576 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.927 -0.670 -17.926 1.00 0.00 H new ATOM 443 N CYS A 28 12.590 -2.289 -16.781 1.00 0.00 N ATOM 444 CA CYS A 28 12.077 -3.115 -15.695 1.00 0.00 C ATOM 445 C CYS A 28 10.908 -3.974 -16.170 1.00 0.00 C ATOM 446 O CYS A 28 10.956 -5.202 -16.098 1.00 0.00 O ATOM 447 CB CYS A 28 11.636 -2.237 -14.522 1.00 0.00 C ATOM 448 SG CYS A 28 12.997 -1.719 -13.428 1.00 0.00 S ATOM 0 H CYS A 28 12.646 -1.294 -16.563 1.00 0.00 H new ATOM 0 HA CYS A 28 12.879 -3.775 -15.364 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.140 -1.349 -14.913 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.897 -2.781 -13.933 1.00 0.00 H new ATOM 453 N LYS A 29 9.859 -3.319 -16.655 1.00 0.00 N ATOM 454 CA LYS A 29 8.678 -4.020 -17.143 1.00 0.00 C ATOM 455 C LYS A 29 9.027 -4.912 -18.330 1.00 0.00 C ATOM 456 O LYS A 29 8.400 -5.951 -18.544 1.00 0.00 O ATOM 457 CB LYS A 29 7.595 -3.017 -17.547 1.00 0.00 C ATOM 458 CG LYS A 29 7.293 -1.983 -16.475 1.00 0.00 C ATOM 459 CD LYS A 29 6.824 -0.672 -17.082 1.00 0.00 C ATOM 460 CE LYS A 29 5.450 -0.812 -17.720 1.00 0.00 C ATOM 461 NZ LYS A 29 5.537 -1.316 -19.119 1.00 0.00 N ATOM 0 H LYS A 29 9.803 -2.303 -16.721 1.00 0.00 H new ATOM 0 HA LYS A 29 8.300 -4.649 -16.337 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.908 -2.504 -18.457 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.680 -3.559 -17.785 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.527 -2.368 -15.802 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.186 -1.808 -15.875 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.791 0.096 -16.310 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.542 -0.340 -17.832 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.841 -1.493 -17.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.946 0.154 -17.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.835 -0.825 -19.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.490 -1.137 -19.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.346 -2.338 -19.132 1.00 0.00 H new ATOM 475 N LEU A 30 10.030 -4.502 -19.098 1.00 0.00 N ATOM 476 CA LEU A 30 10.463 -5.265 -20.264 1.00 0.00 C ATOM 477 C LEU A 30 10.786 -6.706 -19.881 1.00 0.00 C ATOM 478 O LEU A 30 10.267 -7.649 -20.478 1.00 0.00 O ATOM 479 CB LEU A 30 11.688 -4.608 -20.901 1.00 0.00 C ATOM 480 CG LEU A 30 11.562 -4.247 -22.382 1.00 0.00 C ATOM 481 CD1 LEU A 30 11.602 -2.738 -22.568 1.00 0.00 C ATOM 482 CD2 LEU A 30 12.664 -4.916 -23.190 1.00 0.00 C ATOM 0 H LEU A 30 10.559 -3.645 -18.935 1.00 0.00 H new ATOM 0 HA LEU A 30 9.647 -5.274 -20.986 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.919 -3.700 -20.345 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.538 -5.279 -20.782 1.00 0.00 H new ATOM 0 HG LEU A 30 10.601 -4.612 -22.745 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.511 -2.499 -23.628 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.777 -2.282 -22.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.547 -2.350 -22.188 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.558 -4.648 -24.241 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.636 -4.582 -22.826 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.588 -5.998 -23.082 1.00 0.00 H new ATOM 494 N ASP A 31 11.645 -6.869 -18.881 1.00 0.00 N ATOM 495 CA ASP A 31 12.035 -8.195 -18.416 1.00 0.00 C ATOM 496 C ASP A 31 11.419 -8.496 -17.053 1.00 0.00 C ATOM 497 O ASP A 31 10.539 -9.348 -16.932 1.00 0.00 O ATOM 498 CB ASP A 31 13.559 -8.303 -18.336 1.00 0.00 C ATOM 499 CG ASP A 31 14.145 -9.088 -19.493 1.00 0.00 C ATOM 500 OD1 ASP A 31 13.478 -9.182 -20.544 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.270 -9.609 -19.347 1.00 0.00 O ATOM 0 H ASP A 31 12.085 -6.099 -18.377 1.00 0.00 H new ATOM 0 HA ASP A 31 11.664 -8.928 -19.132 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.991 -7.302 -18.324 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.838 -8.782 -17.397 1.00 0.00 H new ATOM 506 N LYS A 32 11.888 -7.791 -16.029 1.00 0.00 N ATOM 507 CA LYS A 32 11.385 -7.981 -14.674 1.00 0.00 C ATOM 508 C LYS A 32 9.860 -7.965 -14.653 1.00 0.00 C ATOM 509 O LYS A 32 9.233 -8.639 -13.834 1.00 0.00 O ATOM 510 CB LYS A 32 11.929 -6.891 -13.747 1.00 0.00 C ATOM 511 CG LYS A 32 13.438 -6.732 -13.817 1.00 0.00 C ATOM 512 CD LYS A 32 14.040 -6.518 -12.439 1.00 0.00 C ATOM 513 CE LYS A 32 15.543 -6.292 -12.516 1.00 0.00 C ATOM 514 NZ LYS A 32 16.138 -6.054 -11.172 1.00 0.00 N ATOM 0 H LYS A 32 12.617 -7.082 -16.112 1.00 0.00 H new ATOM 0 HA LYS A 32 11.727 -8.954 -14.320 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.460 -5.941 -14.002 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.643 -7.122 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.878 -7.619 -14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.686 -5.887 -14.459 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.566 -5.660 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.833 -7.385 -11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.018 -7.159 -12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.749 -5.438 -13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.112 -5.706 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.572 -5.346 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.146 -6.944 -10.633 1.00 0.00 H new ATOM 528 N HIS A 33 9.268 -7.193 -15.559 1.00 0.00 N ATOM 529 CA HIS A 33 7.815 -7.092 -15.646 1.00 0.00 C ATOM 530 C HIS A 33 7.239 -6.453 -14.385 1.00 0.00 C ATOM 531 O HIS A 33 6.138 -6.793 -13.954 1.00 0.00 O ATOM 532 CB HIS A 33 7.198 -8.474 -15.859 1.00 0.00 C ATOM 533 CG HIS A 33 5.908 -8.444 -16.620 1.00 0.00 C ATOM 534 ND1 HIS A 33 4.786 -9.141 -16.226 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.566 -7.793 -17.756 1.00 0.00 C ATOM 536 CE1 HIS A 33 3.809 -8.922 -17.088 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.257 -8.106 -18.026 1.00 0.00 N ATOM 0 H HIS A 33 9.772 -6.628 -16.243 1.00 0.00 H new ATOM 0 HA HIS A 33 7.570 -6.458 -16.498 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.911 -9.102 -16.393 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.027 -8.940 -14.889 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.204 -7.147 -18.341 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.814 -9.339 -17.035 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.718 -7.764 -18.821 1.00 0.00 H new ATOM 545 N ALA A 34 7.992 -5.528 -13.800 1.00 0.00 N ATOM 546 CA ALA A 34 7.556 -4.841 -12.590 1.00 0.00 C ATOM 547 C ALA A 34 6.249 -4.091 -12.826 1.00 0.00 C ATOM 548 O ALA A 34 5.609 -4.252 -13.865 1.00 0.00 O ATOM 549 CB ALA A 34 8.636 -3.885 -12.107 1.00 0.00 C ATOM 0 H ALA A 34 8.907 -5.237 -14.144 1.00 0.00 H new ATOM 0 HA ALA A 34 7.380 -5.591 -11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.297 -3.379 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.546 -4.444 -11.890 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.840 -3.146 -12.881 1.00 0.00 H new ATOM 555 N ARG A 35 5.859 -3.272 -11.855 1.00 0.00 N ATOM 556 CA ARG A 35 4.628 -2.498 -11.956 1.00 0.00 C ATOM 557 C ARG A 35 4.838 -1.251 -12.810 1.00 0.00 C ATOM 558 O ARG A 35 4.132 -1.036 -13.796 1.00 0.00 O ATOM 559 CB ARG A 35 4.135 -2.099 -10.564 1.00 0.00 C ATOM 560 CG ARG A 35 4.343 -3.176 -9.512 1.00 0.00 C ATOM 561 CD ARG A 35 3.869 -4.535 -10.005 1.00 0.00 C ATOM 562 NE ARG A 35 2.595 -4.446 -10.714 1.00 0.00 N ATOM 563 CZ ARG A 35 2.196 -5.329 -11.622 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.968 -6.363 -11.930 1.00 0.00 N ATOM 565 NH2 ARG A 35 1.024 -5.180 -12.224 1.00 0.00 N ATOM 0 H ARG A 35 6.378 -3.127 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 35 3.874 -3.123 -12.435 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.653 -1.192 -10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.074 -1.857 -10.619 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.400 -3.231 -9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.803 -2.908 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.622 -4.964 -10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.766 -5.212 -9.157 1.00 0.00 H new ATOM 0 HE ARG A 35 1.978 -3.663 -10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.870 -6.481 -11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.659 -7.040 -12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.428 -4.386 -11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.719 -5.859 -12.921 1.00 0.00 H new ATOM 579 N SER A 36 5.812 -0.433 -12.425 1.00 0.00 N ATOM 580 CA SER A 36 6.112 0.794 -13.152 1.00 0.00 C ATOM 581 C SER A 36 7.612 0.929 -13.396 1.00 0.00 C ATOM 582 O SER A 36 8.052 1.147 -14.524 1.00 0.00 O ATOM 583 CB SER A 36 5.599 2.010 -12.377 1.00 0.00 C ATOM 584 OG SER A 36 5.225 1.653 -11.058 1.00 0.00 O ATOM 0 H SER A 36 6.407 -0.598 -11.613 1.00 0.00 H new ATOM 0 HA SER A 36 5.607 0.747 -14.117 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.373 2.777 -12.344 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.744 2.442 -12.897 1.00 0.00 H new ATOM 0 HG SER A 36 4.902 2.447 -10.583 1.00 0.00 H new ATOM 590 N GLY A 37 8.393 0.796 -12.328 1.00 0.00 N ATOM 591 CA GLY A 37 9.835 0.905 -12.445 1.00 0.00 C ATOM 592 C GLY A 37 10.314 2.342 -12.384 1.00 0.00 C ATOM 593 O GLY A 37 9.780 3.211 -13.073 1.00 0.00 O ATOM 0 H GLY A 37 8.052 0.615 -11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.306 0.334 -11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.155 0.458 -13.386 1.00 0.00 H new ATOM 597 N GLU A 38 11.324 2.593 -11.556 1.00 0.00 N ATOM 598 CA GLU A 38 11.872 3.936 -11.407 1.00 0.00 C ATOM 599 C GLU A 38 13.306 3.883 -10.887 1.00 0.00 C ATOM 600 O GLU A 38 13.769 2.845 -10.413 1.00 0.00 O ATOM 601 CB GLU A 38 11.004 4.763 -10.456 1.00 0.00 C ATOM 602 CG GLU A 38 9.782 5.371 -11.123 1.00 0.00 C ATOM 603 CD GLU A 38 9.208 6.536 -10.338 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.706 7.668 -10.509 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.263 6.314 -9.553 1.00 0.00 O ATOM 0 H GLU A 38 11.778 1.885 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 38 11.876 4.410 -12.389 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.680 4.130 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.609 5.562 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.049 5.709 -12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.017 4.604 -11.239 1.00 0.00 H new ATOM 612 N CYS A 39 14.005 5.009 -10.980 1.00 0.00 N ATOM 613 CA CYS A 39 15.386 5.093 -10.521 1.00 0.00 C ATOM 614 C CYS A 39 15.494 5.976 -9.281 1.00 0.00 C ATOM 615 O CYS A 39 14.867 7.032 -9.200 1.00 0.00 O ATOM 616 CB CYS A 39 16.282 5.644 -11.632 1.00 0.00 C ATOM 617 SG CYS A 39 16.305 4.626 -13.143 1.00 0.00 S ATOM 0 H CYS A 39 13.637 5.877 -11.370 1.00 0.00 H new ATOM 0 HA CYS A 39 15.718 4.088 -10.260 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.947 6.649 -11.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.300 5.734 -11.252 1.00 0.00 H new ATOM 622 N PHE A 40 16.295 5.535 -8.317 1.00 0.00 N ATOM 623 CA PHE A 40 16.486 6.283 -7.080 1.00 0.00 C ATOM 624 C PHE A 40 17.862 6.004 -6.482 1.00 0.00 C ATOM 625 O PHE A 40 18.488 4.988 -6.784 1.00 0.00 O ATOM 626 CB PHE A 40 15.396 5.925 -6.068 1.00 0.00 C ATOM 627 CG PHE A 40 14.005 6.207 -6.561 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.505 7.499 -6.559 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.199 5.181 -7.026 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.225 7.762 -7.011 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.918 5.437 -7.479 1.00 0.00 C ATOM 632 CZ PHE A 40 11.432 6.730 -7.473 1.00 0.00 C ATOM 0 H PHE A 40 16.822 4.663 -8.369 1.00 0.00 H new ATOM 0 HA PHE A 40 16.420 7.345 -7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.477 4.867 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.567 6.484 -5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.122 8.310 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.576 4.169 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.846 8.773 -7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.299 4.628 -7.837 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.433 6.934 -7.829 1.00 0.00 H new ATOM 642 N TYR A 41 18.326 6.913 -5.631 1.00 0.00 N ATOM 643 CA TYR A 41 19.629 6.766 -4.993 1.00 0.00 C ATOM 644 C TYR A 41 19.571 5.740 -3.866 1.00 0.00 C ATOM 645 O TYR A 41 18.519 5.520 -3.265 1.00 0.00 O ATOM 646 CB TYR A 41 20.107 8.113 -4.447 1.00 0.00 C ATOM 647 CG TYR A 41 20.447 9.117 -5.525 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.458 9.891 -6.119 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.759 9.292 -5.949 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.765 10.809 -7.105 1.00 0.00 C ATOM 651 CE2 TYR A 41 22.075 10.209 -6.933 1.00 0.00 C ATOM 652 CZ TYR A 41 21.075 10.964 -7.508 1.00 0.00 C ATOM 653 OH TYR A 41 21.385 11.878 -8.489 1.00 0.00 O ATOM 0 H TYR A 41 17.820 7.758 -5.367 1.00 0.00 H new ATOM 0 HA TYR A 41 20.336 6.414 -5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.332 8.531 -3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.986 7.951 -3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.432 9.773 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.545 8.701 -5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.984 11.402 -7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 41 23.100 10.334 -7.250 1.00 0.00 H new ATOM 0 HH TYR A 41 22.351 11.864 -8.655 1.00 0.00 H new ATOM 663 N ASP A 42 20.709 5.115 -3.585 1.00 0.00 N ATOM 664 CA ASP A 42 20.790 4.112 -2.529 1.00 0.00 C ATOM 665 C ASP A 42 21.548 4.655 -1.321 1.00 0.00 C ATOM 666 O ASP A 42 21.892 5.836 -1.272 1.00 0.00 O ATOM 667 CB ASP A 42 21.474 2.847 -3.049 1.00 0.00 C ATOM 668 CG ASP A 42 22.833 3.132 -3.658 1.00 0.00 C ATOM 669 OD1 ASP A 42 23.482 4.110 -3.230 1.00 0.00 O ATOM 670 OD2 ASP A 42 23.249 2.377 -4.561 1.00 0.00 O ATOM 0 H ASP A 42 21.588 5.285 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 42 19.775 3.865 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.588 2.136 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 42 20.837 2.374 -3.796 1.00 0.00 H new ATOM 675 N GLU A 43 21.803 3.785 -0.349 1.00 0.00 N ATOM 676 CA GLU A 43 22.518 4.179 0.859 1.00 0.00 C ATOM 677 C GLU A 43 23.905 4.717 0.519 1.00 0.00 C ATOM 678 O GLU A 43 24.524 5.421 1.318 1.00 0.00 O ATOM 679 CB GLU A 43 22.641 2.991 1.816 1.00 0.00 C ATOM 680 CG GLU A 43 21.336 2.242 2.026 1.00 0.00 C ATOM 681 CD GLU A 43 21.057 1.955 3.489 1.00 0.00 C ATOM 682 OE1 GLU A 43 22.028 1.759 4.250 1.00 0.00 O ATOM 683 OE2 GLU A 43 19.869 1.926 3.872 1.00 0.00 O ATOM 0 H GLU A 43 21.525 2.804 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 43 21.949 4.971 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.389 2.299 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.005 3.347 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.515 2.827 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.368 1.302 1.475 1.00 0.00 H new ATOM 690 N LYS A 44 24.389 4.380 -0.671 1.00 0.00 N ATOM 691 CA LYS A 44 25.701 4.829 -1.120 1.00 0.00 C ATOM 692 C LYS A 44 25.580 6.060 -2.012 1.00 0.00 C ATOM 693 O LYS A 44 26.516 6.412 -2.731 1.00 0.00 O ATOM 694 CB LYS A 44 26.416 3.707 -1.875 1.00 0.00 C ATOM 695 CG LYS A 44 27.196 2.766 -0.973 1.00 0.00 C ATOM 696 CD LYS A 44 28.672 3.124 -0.937 1.00 0.00 C ATOM 697 CE LYS A 44 28.979 4.113 0.178 1.00 0.00 C ATOM 698 NZ LYS A 44 29.893 3.531 1.199 1.00 0.00 N ATOM 0 H LYS A 44 23.891 3.796 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 44 26.286 5.097 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.680 3.132 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.098 4.147 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 44 26.786 2.805 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.078 1.741 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.263 2.219 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.967 3.551 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.432 5.009 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.049 4.421 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.078 4.236 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 29.451 2.690 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.790 3.260 0.748 1.00 0.00 H new ATOM 712 N ARG A 45 24.423 6.711 -1.960 1.00 0.00 N ATOM 713 CA ARG A 45 24.180 7.903 -2.764 1.00 0.00 C ATOM 714 C ARG A 45 24.341 7.599 -4.250 1.00 0.00 C ATOM 715 O ARG A 45 24.754 8.458 -5.029 1.00 0.00 O ATOM 716 CB ARG A 45 25.138 9.024 -2.355 1.00 0.00 C ATOM 717 CG ARG A 45 25.272 9.191 -0.850 1.00 0.00 C ATOM 718 CD ARG A 45 23.981 9.702 -0.229 1.00 0.00 C ATOM 719 NE ARG A 45 23.622 8.958 0.975 1.00 0.00 N ATOM 720 CZ ARG A 45 22.462 9.097 1.606 1.00 0.00 C ATOM 721 NH1 ARG A 45 21.552 9.947 1.149 1.00 0.00 N ATOM 722 NH2 ARG A 45 22.208 8.385 2.697 1.00 0.00 N ATOM 0 H ARG A 45 23.639 6.433 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 45 23.155 8.227 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 45 26.122 8.822 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.791 9.963 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 45 25.541 8.236 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 45 26.083 9.886 -0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.090 10.758 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.173 9.626 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 45 24.299 8.295 1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.742 10.496 0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.662 10.052 1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.904 7.730 3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.316 8.493 3.180 1.00 0.00 H new ATOM 736 N ASN A 46 24.014 6.370 -4.637 1.00 0.00 N ATOM 737 CA ASN A 46 24.123 5.952 -6.029 1.00 0.00 C ATOM 738 C ASN A 46 22.748 5.648 -6.616 1.00 0.00 C ATOM 739 O ASN A 46 21.983 4.860 -6.057 1.00 0.00 O ATOM 740 CB ASN A 46 25.023 4.720 -6.144 1.00 0.00 C ATOM 741 CG ASN A 46 26.348 4.903 -5.430 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.832 6.024 -5.274 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.942 3.798 -4.993 1.00 0.00 N ATOM 0 H ASN A 46 23.671 5.646 -4.005 1.00 0.00 H new ATOM 0 HA ASN A 46 24.566 6.772 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.506 3.855 -5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.207 4.505 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.836 3.858 -4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.504 2.889 -5.145 1.00 0.00 H new ATOM 750 N LEU A 47 22.440 6.276 -7.745 1.00 0.00 N ATOM 751 CA LEU A 47 21.157 6.073 -8.409 1.00 0.00 C ATOM 752 C LEU A 47 21.108 4.710 -9.092 1.00 0.00 C ATOM 753 O LEU A 47 21.922 4.414 -9.966 1.00 0.00 O ATOM 754 CB LEU A 47 20.911 7.180 -9.435 1.00 0.00 C ATOM 755 CG LEU A 47 19.669 8.042 -9.208 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.758 9.330 -10.012 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.409 7.269 -9.573 1.00 0.00 C ATOM 0 H LEU A 47 23.061 6.930 -8.220 1.00 0.00 H new ATOM 0 HA LEU A 47 20.374 6.108 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.784 7.833 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.836 6.723 -10.422 1.00 0.00 H new ATOM 0 HG LEU A 47 19.619 8.301 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.865 9.930 -9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.639 9.892 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.834 9.092 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.535 7.898 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.451 6.979 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.338 6.376 -8.953 1.00 0.00 H new ATOM 769 N GLN A 48 20.146 3.886 -8.688 1.00 0.00 N ATOM 770 CA GLN A 48 19.990 2.555 -9.263 1.00 0.00 C ATOM 771 C GLN A 48 18.574 2.354 -9.794 1.00 0.00 C ATOM 772 O GLN A 48 17.640 3.042 -9.379 1.00 0.00 O ATOM 773 CB GLN A 48 20.312 1.485 -8.219 1.00 0.00 C ATOM 774 CG GLN A 48 21.760 1.502 -7.757 1.00 0.00 C ATOM 775 CD GLN A 48 22.149 0.243 -7.007 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.633 -0.722 -7.599 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.938 0.246 -5.696 1.00 0.00 N ATOM 0 H GLN A 48 19.464 4.116 -7.966 1.00 0.00 H new ATOM 0 HA GLN A 48 20.687 2.462 -10.096 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.662 1.625 -7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.083 0.504 -8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.412 1.621 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.922 2.368 -7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.535 1.068 -5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 48 22.179 -0.573 -5.139 1.00 0.00 H new ATOM 786 N CYS A 49 18.422 1.409 -10.715 1.00 0.00 N ATOM 787 CA CYS A 49 17.121 1.117 -11.305 1.00 0.00 C ATOM 788 C CYS A 49 16.279 0.258 -10.366 1.00 0.00 C ATOM 789 O CYS A 49 16.351 -0.971 -10.401 1.00 0.00 O ATOM 790 CB CYS A 49 17.294 0.406 -12.648 1.00 0.00 C ATOM 791 SG CYS A 49 15.970 0.754 -13.850 1.00 0.00 S ATOM 0 H CYS A 49 19.184 0.832 -11.069 1.00 0.00 H new ATOM 0 HA CYS A 49 16.603 2.062 -11.467 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.250 0.699 -13.082 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.339 -0.669 -12.475 1.00 0.00 H new ATOM 796 N ILE A 50 15.481 0.912 -9.529 1.00 0.00 N ATOM 797 CA ILE A 50 14.624 0.208 -8.583 1.00 0.00 C ATOM 798 C ILE A 50 13.256 -0.081 -9.191 1.00 0.00 C ATOM 799 O ILE A 50 12.509 0.836 -9.531 1.00 0.00 O ATOM 800 CB ILE A 50 14.437 1.016 -7.285 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.741 1.047 -6.486 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.311 0.422 -6.450 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.252 2.446 -6.218 1.00 0.00 C ATOM 0 H ILE A 50 15.410 1.929 -9.487 1.00 0.00 H new ATOM 0 HA ILE A 50 15.120 -0.734 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 50 14.169 2.040 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.587 0.537 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.503 0.488 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.190 1.003 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.383 0.447 -7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.553 -0.610 -6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.179 2.392 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.438 2.953 -7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.508 3.002 -5.648 1.00 0.00 H new ATOM 815 N CYS A 51 12.932 -1.363 -9.322 1.00 0.00 N ATOM 816 CA CYS A 51 11.653 -1.776 -9.887 1.00 0.00 C ATOM 817 C CYS A 51 10.645 -2.085 -8.783 1.00 0.00 C ATOM 818 O CYS A 51 10.990 -2.106 -7.601 1.00 0.00 O ATOM 819 CB CYS A 51 11.838 -3.003 -10.782 1.00 0.00 C ATOM 820 SG CYS A 51 13.261 -2.889 -11.914 1.00 0.00 S ATOM 0 H CYS A 51 13.538 -2.135 -9.044 1.00 0.00 H new ATOM 0 HA CYS A 51 11.267 -0.952 -10.488 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.958 -3.884 -10.152 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.931 -3.152 -11.369 1.00 0.00 H new ATOM 825 N ASP A 52 9.400 -2.325 -9.177 1.00 0.00 N ATOM 826 CA ASP A 52 8.342 -2.635 -8.222 1.00 0.00 C ATOM 827 C ASP A 52 7.820 -4.053 -8.430 1.00 0.00 C ATOM 828 O ASP A 52 7.374 -4.408 -9.522 1.00 0.00 O ATOM 829 CB ASP A 52 7.195 -1.632 -8.356 1.00 0.00 C ATOM 830 CG ASP A 52 6.135 -1.819 -7.289 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.368 -2.612 -6.353 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.072 -1.171 -7.389 1.00 0.00 O ATOM 0 H ASP A 52 9.098 -2.311 -10.151 1.00 0.00 H new ATOM 0 HA ASP A 52 8.761 -2.565 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.593 -0.619 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.738 -1.736 -9.340 1.00 0.00 H new ATOM 837 N TYR A 53 7.881 -4.860 -7.377 1.00 0.00 N ATOM 838 CA TYR A 53 7.419 -6.242 -7.445 1.00 0.00 C ATOM 839 C TYR A 53 6.312 -6.496 -6.427 1.00 0.00 C ATOM 840 O TYR A 53 6.556 -6.525 -5.220 1.00 0.00 O ATOM 841 CB TYR A 53 8.582 -7.204 -7.201 1.00 0.00 C ATOM 842 CG TYR A 53 9.215 -7.724 -8.472 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.200 -6.997 -9.129 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.828 -8.942 -9.016 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.780 -7.468 -10.291 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.403 -9.422 -10.177 1.00 0.00 C ATOM 847 CZ TYR A 53 10.379 -8.681 -10.811 1.00 0.00 C ATOM 848 OH TYR A 53 10.955 -9.154 -11.967 1.00 0.00 O ATOM 0 H TYR A 53 8.246 -4.582 -6.466 1.00 0.00 H new ATOM 0 HA TYR A 53 7.017 -6.415 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.343 -6.698 -6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.226 -8.048 -6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.518 -6.047 -8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.064 -9.524 -8.523 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.543 -6.889 -10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.090 -10.372 -10.586 1.00 0.00 H new ATOM 0 HH TYR A 53 10.255 -9.350 -12.625 1.00 0.00 H new ATOM 858 N CYS A 54 5.092 -6.680 -6.922 1.00 0.00 N ATOM 859 CA CYS A 54 3.946 -6.933 -6.058 1.00 0.00 C ATOM 860 C CYS A 54 2.771 -7.485 -6.860 1.00 0.00 C ATOM 861 O CYS A 54 2.477 -8.679 -6.805 1.00 0.00 O ATOM 862 CB CYS A 54 3.528 -5.647 -5.341 1.00 0.00 C ATOM 863 SG CYS A 54 4.112 -5.533 -3.619 1.00 0.00 S ATOM 0 H CYS A 54 4.872 -6.658 -7.918 1.00 0.00 H new ATOM 0 HA CYS A 54 4.239 -7.677 -5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.908 -4.792 -5.900 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.440 -5.576 -5.350 1.00 0.00 H new ATOM 868 N GLU A 55 2.105 -6.608 -7.604 1.00 0.00 N ATOM 869 CA GLU A 55 0.962 -7.008 -8.417 1.00 0.00 C ATOM 870 C GLU A 55 1.416 -7.795 -9.643 1.00 0.00 C ATOM 871 O GLU A 55 2.578 -8.189 -9.746 1.00 0.00 O ATOM 872 CB GLU A 55 0.163 -5.779 -8.853 1.00 0.00 C ATOM 873 CG GLU A 55 -1.308 -5.846 -8.478 1.00 0.00 C ATOM 874 CD GLU A 55 -2.221 -5.800 -9.688 1.00 0.00 C ATOM 875 OE1 GLU A 55 -1.976 -4.966 -10.584 1.00 0.00 O ATOM 876 OE2 GLU A 55 -3.180 -6.599 -9.739 1.00 0.00 O ATOM 0 H GLU A 55 2.337 -5.616 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 55 0.324 -7.650 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.604 -4.890 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.249 -5.664 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.496 -6.764 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.548 -5.015 -7.814 1.00 0.00 H new ATOM 883 N TYR A 56 0.491 -8.020 -10.570 1.00 0.00 N ATOM 884 CA TYR A 56 0.794 -8.762 -11.788 1.00 0.00 C ATOM 885 C TYR A 56 0.033 -8.187 -12.979 1.00 0.00 C ATOM 886 O TYR A 56 -1.191 -8.290 -13.054 1.00 0.00 O ATOM 887 CB TYR A 56 0.445 -10.240 -11.610 1.00 0.00 C ATOM 888 CG TYR A 56 1.451 -11.179 -12.235 1.00 0.00 C ATOM 889 CD1 TYR A 56 2.727 -11.317 -11.702 1.00 0.00 C ATOM 890 CD2 TYR A 56 1.127 -11.928 -13.360 1.00 0.00 C ATOM 891 CE1 TYR A 56 3.650 -12.174 -12.270 1.00 0.00 C ATOM 892 CE2 TYR A 56 2.043 -12.788 -13.933 1.00 0.00 C ATOM 893 CZ TYR A 56 3.303 -12.907 -13.385 1.00 0.00 C ATOM 894 OH TYR A 56 4.219 -13.762 -13.955 1.00 0.00 O ATOM 0 H TYR A 56 -0.475 -7.699 -10.501 1.00 0.00 H new ATOM 0 HA TYR A 56 1.862 -8.670 -11.984 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.367 -10.461 -10.545 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.536 -10.428 -12.047 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.002 -10.744 -10.829 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.142 -11.836 -13.793 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.637 -12.269 -11.843 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.774 -13.364 -14.806 1.00 0.00 H new ATOM 0 HH TYR A 56 3.816 -14.203 -14.732 1.00 0.00 H new TER 904 TYR A 56