USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 398 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 27 SER OG : rot 154:sc= 0.816 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.722 USER MOD Set 2.1: A 13 THR OG1 : rot -40:sc= 0.988 USER MOD Set 2.2: A 44 LYS NZ :NH3+ -160:sc= 1.13 (180deg=-0.0622) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.477 X(o=3.7,f=4) USER MOD Set 3.2: A 32 TYR OH : rot 30:sc= 1 USER MOD Set 3.3: A 40 LYS NZ :NH3+ 172:sc= 2.2 (180deg=0.859) USER MOD Set 4.1: A 4 GLN : amide:sc= 0.122 K(o=0.83,f=-0.92) USER MOD Set 4.2: A 18 THR OG1 : rot 72:sc= 0.711 USER MOD Single : A 1 GLN : amide:sc= 1.12 K(o=1.1,f=-0.053) USER MOD Single : A 1 GLN N :NH3+ -174:sc= 0.953 (180deg=0.943) USER MOD Single : A 11 GLN : amide:sc= -2.05! C(o=-2.1!,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 0.955 (180deg=-0.903!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.409 USER MOD Single : A 22 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.72) USER MOD Single : A 24 HIS : no HE2:sc= -0.499 X(o=-0.5,f=-0.64) USER MOD Single : A 31 THR OG1 : rot 130:sc= 0.00273 USER MOD Single : A 34 ASN : amide:sc= 0.0857 K(o=0.086,f=-5!) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 0.949 (180deg=-0.005) USER MOD Single : A 45 SER OG : rot 130:sc= -1.05 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.1) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= 3.32 (180deg=2.15) USER MOD Single : A 53 HIS : no HE2:sc= 0.832 K(o=0.83,f=-2.7!) USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= 0.786 (180deg=-1.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -2.380 3.136 1.380 1.00 0.00 N ATOM 2 CA GLN A 1 -3.252 2.503 2.373 1.00 0.00 C ATOM 3 C GLN A 1 -4.594 3.141 2.106 1.00 0.00 C ATOM 4 O GLN A 1 -4.834 3.453 0.952 1.00 0.00 O ATOM 5 CB GLN A 1 -2.713 2.832 3.778 1.00 0.00 C ATOM 6 CG GLN A 1 -3.164 1.870 4.871 1.00 0.00 C ATOM 7 CD GLN A 1 -2.487 2.138 6.199 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.416 1.630 6.451 1.00 0.00 O ATOM 9 NE2 GLN A 1 -3.120 2.892 7.059 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.441 2.690 1.409 1.00 0.00 H new ATOM 0 H2 GLN A 1 -2.791 3.018 0.432 1.00 0.00 H new ATOM 0 H3 GLN A 1 -2.289 4.150 1.594 1.00 0.00 H new ATOM 0 HA GLN A 1 -3.309 1.416 2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -1.624 2.837 3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -3.028 3.840 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -4.244 1.948 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -2.952 0.847 4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.020 3.303 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.714 3.069 7.978 1.00 0.00 H new ATOM 18 N GLY A 2 -5.465 3.328 3.118 1.00 0.00 N ATOM 19 CA GLY A 2 -6.710 4.092 2.890 1.00 0.00 C ATOM 20 C GLY A 2 -6.361 5.489 2.399 1.00 0.00 C ATOM 21 O GLY A 2 -7.060 6.087 1.610 1.00 0.00 O ATOM 0 H GLY A 2 -5.339 2.976 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.334 3.582 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.287 4.152 3.813 1.00 0.00 H new ATOM 25 N GLY A 3 -5.254 5.968 2.907 1.00 0.00 N ATOM 26 CA GLY A 3 -4.639 7.166 2.453 1.00 0.00 C ATOM 27 C GLY A 3 -3.158 6.951 2.560 1.00 0.00 C ATOM 28 O GLY A 3 -2.616 5.966 1.986 1.00 0.00 O ATOM 0 H GLY A 3 -4.750 5.514 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.926 7.384 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.952 8.017 3.058 1.00 0.00 H new ATOM 32 N GLN A 4 -2.510 7.775 3.348 1.00 0.00 N ATOM 33 CA GLN A 4 -1.101 7.617 3.647 1.00 0.00 C ATOM 34 C GLN A 4 -0.923 6.455 4.614 1.00 0.00 C ATOM 35 O GLN A 4 -1.886 5.734 4.938 1.00 0.00 O ATOM 36 CB GLN A 4 -0.556 8.885 4.314 1.00 0.00 C ATOM 37 CG GLN A 4 -1.164 9.167 5.688 1.00 0.00 C ATOM 38 CD GLN A 4 -0.401 10.211 6.460 1.00 0.00 C ATOM 39 OE1 GLN A 4 -0.682 11.398 6.366 1.00 0.00 O ATOM 40 NE2 GLN A 4 0.527 9.773 7.273 1.00 0.00 N ATOM 0 H GLN A 4 -2.944 8.578 3.803 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.563 7.431 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.525 8.795 4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.744 9.738 3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.196 9.496 5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.191 8.243 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.732 8.775 7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.045 10.430 7.857 1.00 0.00 H new ATOM 49 N VAL A 5 0.281 6.261 5.041 1.00 0.00 N ATOM 50 CA VAL A 5 0.559 5.302 6.072 1.00 0.00 C ATOM 51 C VAL A 5 0.120 5.887 7.394 1.00 0.00 C ATOM 52 O VAL A 5 0.587 6.965 7.779 1.00 0.00 O ATOM 53 CB VAL A 5 2.065 4.947 6.170 1.00 0.00 C ATOM 54 CG1 VAL A 5 2.313 3.963 7.322 1.00 0.00 C ATOM 55 CG2 VAL A 5 2.567 4.367 4.854 1.00 0.00 C ATOM 0 H VAL A 5 1.100 6.758 4.690 1.00 0.00 H new ATOM 0 HA VAL A 5 0.019 4.387 5.828 1.00 0.00 H new ATOM 0 HB VAL A 5 2.620 5.863 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.375 3.725 7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.995 4.415 8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.745 3.049 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.626 4.125 4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.006 3.463 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.428 5.098 4.058 1.00 0.00 H new ATOM 65 N ASP A 6 -0.860 5.270 7.979 1.00 0.00 N ATOM 66 CA ASP A 6 -1.279 5.556 9.335 1.00 0.00 C ATOM 67 C ASP A 6 -1.372 4.256 10.045 1.00 0.00 C ATOM 68 O ASP A 6 -1.972 3.343 9.491 1.00 0.00 O ATOM 69 CB ASP A 6 -2.632 6.266 9.400 1.00 0.00 C ATOM 70 CG ASP A 6 -3.146 6.454 10.838 1.00 0.00 C ATOM 71 OD1 ASP A 6 -2.673 7.383 11.538 1.00 0.00 O ATOM 72 OD2 ASP A 6 -4.050 5.701 11.267 1.00 0.00 O ATOM 0 H ASP A 6 -1.408 4.538 7.527 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.553 6.228 9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.547 7.241 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.364 5.693 8.831 1.00 0.00 H new ATOM 77 N CYS A 7 -0.671 4.097 11.165 1.00 0.00 N ATOM 78 CA CYS A 7 -0.898 2.938 12.008 1.00 0.00 C ATOM 79 C CYS A 7 -2.369 2.716 12.322 1.00 0.00 C ATOM 80 O CYS A 7 -3.046 2.003 11.609 1.00 0.00 O ATOM 81 CB CYS A 7 -0.105 3.029 13.282 1.00 0.00 C ATOM 82 SG CYS A 7 -0.270 4.654 14.140 1.00 0.00 S ATOM 0 H CYS A 7 0.043 4.744 11.500 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.555 2.076 11.436 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.427 2.236 13.958 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.947 2.850 13.059 1.00 0.00 H new ATOM 87 N GLY A 8 -2.836 3.337 13.371 1.00 0.00 N ATOM 88 CA GLY A 8 -4.189 3.204 13.826 1.00 0.00 C ATOM 89 C GLY A 8 -4.550 1.789 14.186 1.00 0.00 C ATOM 90 O GLY A 8 -4.396 1.358 15.303 1.00 0.00 O ATOM 0 H GLY A 8 -2.271 3.963 13.945 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.339 3.844 14.695 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.865 3.559 13.048 1.00 0.00 H new ATOM 94 N GLU A 9 -4.908 1.082 13.187 1.00 0.00 N ATOM 95 CA GLU A 9 -5.436 -0.232 13.234 1.00 0.00 C ATOM 96 C GLU A 9 -4.325 -1.224 12.908 1.00 0.00 C ATOM 97 O GLU A 9 -4.492 -2.444 12.984 1.00 0.00 O ATOM 98 CB GLU A 9 -6.457 -0.307 12.134 1.00 0.00 C ATOM 99 CG GLU A 9 -7.720 0.611 12.270 1.00 0.00 C ATOM 100 CD GLU A 9 -7.442 2.127 12.223 1.00 0.00 C ATOM 101 OE1 GLU A 9 -7.216 2.683 11.128 1.00 0.00 O ATOM 102 OE2 GLU A 9 -7.426 2.784 13.285 1.00 0.00 O ATOM 0 H GLU A 9 -4.835 1.433 12.232 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.858 -0.459 14.213 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.961 -0.063 11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.796 -1.340 12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.418 0.361 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.218 0.379 13.212 1.00 0.00 H new ATOM 109 N PHE A 10 -3.194 -0.681 12.606 1.00 0.00 N ATOM 110 CA PHE A 10 -2.081 -1.374 12.152 1.00 0.00 C ATOM 111 C PHE A 10 -1.079 -1.500 13.230 1.00 0.00 C ATOM 112 O PHE A 10 -0.244 -0.663 13.492 1.00 0.00 O ATOM 113 CB PHE A 10 -1.489 -0.813 10.924 1.00 0.00 C ATOM 114 CG PHE A 10 -2.343 -0.982 9.689 1.00 0.00 C ATOM 115 CD1 PHE A 10 -3.350 -0.080 9.383 1.00 0.00 C ATOM 116 CD2 PHE A 10 -2.139 -2.058 8.842 1.00 0.00 C ATOM 117 CE1 PHE A 10 -4.133 -0.246 8.260 1.00 0.00 C ATOM 118 CE2 PHE A 10 -2.920 -2.230 7.716 1.00 0.00 C ATOM 119 CZ PHE A 10 -3.918 -1.323 7.424 1.00 0.00 C ATOM 0 H PHE A 10 -3.033 0.323 12.682 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.429 -2.368 11.872 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.300 0.249 11.078 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.523 -1.287 10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.524 0.765 10.033 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.360 -2.772 9.065 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.913 0.466 8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.750 -3.074 7.064 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.529 -1.455 6.544 1.00 0.00 H new ATOM 129 N GLN A 11 -1.408 -2.459 13.908 1.00 0.00 N ATOM 130 CA GLN A 11 -0.793 -3.198 15.010 1.00 0.00 C ATOM 131 C GLN A 11 0.702 -3.365 14.892 1.00 0.00 C ATOM 132 O GLN A 11 1.415 -3.562 15.886 1.00 0.00 O ATOM 133 CB GLN A 11 -1.434 -4.538 14.975 1.00 0.00 C ATOM 134 CG GLN A 11 -2.931 -4.505 14.952 1.00 0.00 C ATOM 135 CD GLN A 11 -3.563 -3.768 16.115 1.00 0.00 C ATOM 136 OE1 GLN A 11 -3.056 -3.754 17.218 1.00 0.00 O ATOM 137 NE2 GLN A 11 -4.654 -3.107 15.848 1.00 0.00 N ATOM 0 H GLN A 11 -2.312 -2.886 13.704 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.944 -2.647 15.939 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.081 -5.074 14.094 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.108 -5.107 15.846 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.257 -4.038 14.023 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.304 -5.529 14.942 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.054 -3.140 14.910 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.108 -2.556 16.577 1.00 0.00 H new ATOM 146 N ASP A 12 1.151 -3.259 13.726 1.00 0.00 N ATOM 147 CA ASP A 12 2.501 -3.346 13.434 1.00 0.00 C ATOM 148 C ASP A 12 3.079 -2.025 13.749 1.00 0.00 C ATOM 149 O ASP A 12 2.667 -0.991 13.270 1.00 0.00 O ATOM 150 CB ASP A 12 2.714 -3.755 12.023 1.00 0.00 C ATOM 151 CG ASP A 12 4.151 -3.719 11.560 1.00 0.00 C ATOM 152 OD1 ASP A 12 5.086 -3.934 12.365 1.00 0.00 O ATOM 153 OD2 ASP A 12 4.379 -3.495 10.365 1.00 0.00 O ATOM 0 H ASP A 12 0.561 -3.102 12.909 1.00 0.00 H new ATOM 0 HA ASP A 12 2.997 -4.115 14.027 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.331 -4.767 11.892 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.123 -3.104 11.378 1.00 0.00 H new ATOM 158 N THR A 13 3.979 -2.091 14.561 1.00 0.00 N ATOM 159 CA THR A 13 4.531 -0.939 15.216 1.00 0.00 C ATOM 160 C THR A 13 5.403 -0.082 14.305 1.00 0.00 C ATOM 161 O THR A 13 5.743 1.047 14.656 1.00 0.00 O ATOM 162 CB THR A 13 5.270 -1.344 16.501 1.00 0.00 C ATOM 163 OG1 THR A 13 5.297 -0.231 17.427 1.00 0.00 O ATOM 164 CG2 THR A 13 6.703 -1.817 16.222 1.00 0.00 C ATOM 0 H THR A 13 4.414 -2.970 14.842 1.00 0.00 H new ATOM 0 HA THR A 13 3.689 -0.304 15.490 1.00 0.00 H new ATOM 0 HB THR A 13 4.725 -2.181 16.938 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.463 0.600 16.935 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.184 -2.092 17.160 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.678 -2.682 15.559 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.266 -1.013 15.748 1.00 0.00 H new ATOM 172 N LYS A 14 5.789 -0.629 13.183 1.00 0.00 N ATOM 173 CA LYS A 14 6.550 0.114 12.221 1.00 0.00 C ATOM 174 C LYS A 14 5.632 0.819 11.201 1.00 0.00 C ATOM 175 O LYS A 14 6.096 1.434 10.239 1.00 0.00 O ATOM 176 CB LYS A 14 7.560 -0.805 11.574 1.00 0.00 C ATOM 177 CG LYS A 14 7.009 -1.812 10.592 1.00 0.00 C ATOM 178 CD LYS A 14 8.116 -2.713 10.071 1.00 0.00 C ATOM 179 CE LYS A 14 7.571 -3.823 9.190 1.00 0.00 C ATOM 180 NZ LYS A 14 6.612 -4.678 9.921 1.00 0.00 N ATOM 0 H LYS A 14 5.586 -1.592 12.914 1.00 0.00 H new ATOM 0 HA LYS A 14 7.096 0.914 12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.300 -0.193 11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.086 -1.346 12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.239 -2.415 11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.533 -1.293 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.833 -2.118 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.656 -3.148 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.081 -3.389 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.395 -4.433 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.669 -5.652 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.843 -4.671 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.648 -4.314 9.783 1.00 0.00 H new ATOM 194 N VAL A 15 4.338 0.733 11.439 1.00 0.00 N ATOM 195 CA VAL A 15 3.355 1.426 10.670 1.00 0.00 C ATOM 196 C VAL A 15 3.085 2.662 11.484 1.00 0.00 C ATOM 197 O VAL A 15 2.776 2.559 12.665 1.00 0.00 O ATOM 198 CB VAL A 15 2.012 0.632 10.559 1.00 0.00 C ATOM 199 CG1 VAL A 15 1.090 1.278 9.537 1.00 0.00 C ATOM 200 CG2 VAL A 15 2.231 -0.837 10.230 1.00 0.00 C ATOM 0 H VAL A 15 3.945 0.165 12.190 1.00 0.00 H new ATOM 0 HA VAL A 15 3.707 1.599 9.653 1.00 0.00 H new ATOM 0 HB VAL A 15 1.537 0.672 11.539 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.161 0.711 9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.870 2.301 9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.577 1.286 8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.268 -1.343 10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.752 -0.923 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.831 -1.300 11.014 1.00 0.00 H new ATOM 210 N TYR A 16 3.252 3.802 10.922 1.00 0.00 N ATOM 211 CA TYR A 16 3.072 5.008 11.684 1.00 0.00 C ATOM 212 C TYR A 16 1.942 5.831 11.219 1.00 0.00 C ATOM 213 O TYR A 16 1.496 5.699 10.129 1.00 0.00 O ATOM 214 CB TYR A 16 4.364 5.796 11.844 1.00 0.00 C ATOM 215 CG TYR A 16 4.908 6.357 10.536 1.00 0.00 C ATOM 216 CD1 TYR A 16 5.705 5.583 9.699 1.00 0.00 C ATOM 217 CD2 TYR A 16 4.611 7.657 10.137 1.00 0.00 C ATOM 218 CE1 TYR A 16 6.188 6.088 8.507 1.00 0.00 C ATOM 219 CE2 TYR A 16 5.088 8.166 8.948 1.00 0.00 C ATOM 220 CZ TYR A 16 5.876 7.379 8.137 1.00 0.00 C ATOM 221 OH TYR A 16 6.352 7.884 6.948 1.00 0.00 O ATOM 0 H TYR A 16 3.511 3.939 9.945 1.00 0.00 H new ATOM 0 HA TYR A 16 2.791 4.686 12.687 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.193 6.619 12.538 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.119 5.151 12.294 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.950 4.571 9.985 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.996 8.278 10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.807 5.475 7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.845 9.176 8.654 1.00 0.00 H new ATOM 0 HH TYR A 16 6.040 8.806 6.836 1.00 0.00 H new ATOM 231 N CYS A 17 1.529 6.666 12.108 1.00 0.00 N ATOM 232 CA CYS A 17 0.327 7.462 12.046 1.00 0.00 C ATOM 233 C CYS A 17 0.377 8.636 11.085 1.00 0.00 C ATOM 234 O CYS A 17 1.438 9.035 10.581 1.00 0.00 O ATOM 235 CB CYS A 17 0.076 7.999 13.444 1.00 0.00 C ATOM 236 SG CYS A 17 1.507 8.904 14.129 1.00 0.00 S ATOM 0 H CYS A 17 2.054 6.831 12.967 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.464 6.812 11.673 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.789 8.661 13.423 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.173 7.170 14.106 1.00 0.00 H new ATOM 241 N THR A 18 -0.793 9.167 10.836 1.00 0.00 N ATOM 242 CA THR A 18 -0.956 10.370 10.114 1.00 0.00 C ATOM 243 C THR A 18 -0.924 11.525 11.066 1.00 0.00 C ATOM 244 O THR A 18 -0.932 11.374 12.294 1.00 0.00 O ATOM 245 CB THR A 18 -2.290 10.405 9.294 1.00 0.00 C ATOM 246 OG1 THR A 18 -2.425 11.648 8.550 1.00 0.00 O ATOM 247 CG2 THR A 18 -3.515 10.178 10.173 1.00 0.00 C ATOM 0 H THR A 18 -1.672 8.752 11.145 1.00 0.00 H new ATOM 0 HA THR A 18 -0.136 10.436 9.399 1.00 0.00 H new ATOM 0 HB THR A 18 -2.236 9.580 8.583 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.790 11.653 7.804 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.415 10.211 9.559 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.441 9.203 10.656 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.566 10.957 10.934 1.00 0.00 H new ATOM 255 N ARG A 19 -0.942 12.657 10.497 1.00 0.00 N ATOM 256 CA ARG A 19 -0.927 13.873 11.231 1.00 0.00 C ATOM 257 C ARG A 19 -2.344 14.315 11.443 1.00 0.00 C ATOM 258 O ARG A 19 -2.619 15.140 12.311 1.00 0.00 O ATOM 259 CB ARG A 19 -0.068 14.955 10.515 1.00 0.00 C ATOM 260 CG ARG A 19 -0.508 15.374 9.089 1.00 0.00 C ATOM 261 CD ARG A 19 -1.717 16.323 9.074 1.00 0.00 C ATOM 262 NE ARG A 19 -1.550 17.480 9.984 1.00 0.00 N ATOM 263 CZ ARG A 19 -2.583 18.160 10.536 1.00 0.00 C ATOM 264 NH1 ARG A 19 -3.816 17.963 10.104 1.00 0.00 N ATOM 265 NH2 ARG A 19 -2.357 19.090 11.472 1.00 0.00 N ATOM 0 H ARG A 19 -0.968 12.781 9.485 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.458 13.717 12.202 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.056 15.847 11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.958 14.591 10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.330 15.858 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.751 14.480 8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.876 16.685 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.612 15.769 9.358 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.602 17.782 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.993 17.297 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.591 18.477 10.522 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.403 19.290 11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.139 19.599 11.884 1.00 0.00 H new ATOM 279 N GLU A 20 -3.236 13.714 10.656 1.00 0.00 N ATOM 280 CA GLU A 20 -4.637 14.082 10.640 1.00 0.00 C ATOM 281 C GLU A 20 -5.356 14.222 11.948 1.00 0.00 C ATOM 282 O GLU A 20 -5.385 13.320 12.792 1.00 0.00 O ATOM 283 CB GLU A 20 -5.473 13.437 9.560 1.00 0.00 C ATOM 284 CG GLU A 20 -5.417 14.230 8.271 1.00 0.00 C ATOM 285 CD GLU A 20 -5.519 15.728 8.557 1.00 0.00 C ATOM 286 OE1 GLU A 20 -6.407 16.159 9.351 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.631 16.465 8.122 1.00 0.00 O ATOM 0 H GLU A 20 -2.999 12.958 10.013 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.520 15.124 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.118 12.422 9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.507 13.358 9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.486 14.017 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.230 13.923 7.613 1.00 0.00 H new ATOM 294 N SER A 21 -6.032 15.342 11.986 1.00 0.00 N ATOM 295 CA SER A 21 -6.715 16.020 13.093 1.00 0.00 C ATOM 296 C SER A 21 -7.967 15.287 13.605 1.00 0.00 C ATOM 297 O SER A 21 -8.869 15.902 14.156 1.00 0.00 O ATOM 298 CB SER A 21 -7.221 17.258 12.459 1.00 0.00 C ATOM 299 OG SER A 21 -6.256 17.816 11.539 1.00 0.00 O ATOM 0 H SER A 21 -6.138 15.885 11.129 1.00 0.00 H new ATOM 0 HA SER A 21 -6.031 16.121 13.936 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.149 17.043 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.457 17.992 13.229 1.00 0.00 H new ATOM 0 HG SER A 21 -6.621 18.631 11.136 1.00 0.00 H new ATOM 305 N ASN A 22 -8.013 14.044 13.380 1.00 0.00 N ATOM 306 CA ASN A 22 -9.162 13.194 13.740 1.00 0.00 C ATOM 307 C ASN A 22 -9.278 13.004 15.267 1.00 0.00 C ATOM 308 O ASN A 22 -8.499 12.255 15.856 1.00 0.00 O ATOM 309 CB ASN A 22 -9.055 11.815 13.064 1.00 0.00 C ATOM 310 CG ASN A 22 -8.947 11.851 11.540 1.00 0.00 C ATOM 311 OD1 ASN A 22 -8.332 10.980 10.942 1.00 0.00 O ATOM 312 ND2 ASN A 22 -9.532 12.843 10.903 1.00 0.00 N ATOM 0 H ASN A 22 -7.254 13.533 12.930 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.057 13.705 13.386 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.182 11.298 13.463 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.929 11.224 13.338 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.478 12.898 9.886 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.039 13.557 11.426 1.00 0.00 H new ATOM 319 N PRO A 23 -10.265 13.651 15.920 1.00 0.00 N ATOM 320 CA PRO A 23 -10.426 13.570 17.365 1.00 0.00 C ATOM 321 C PRO A 23 -11.205 12.314 17.784 1.00 0.00 C ATOM 322 O PRO A 23 -12.182 11.920 17.137 1.00 0.00 O ATOM 323 CB PRO A 23 -11.199 14.842 17.699 1.00 0.00 C ATOM 324 CG PRO A 23 -12.017 15.135 16.480 1.00 0.00 C ATOM 325 CD PRO A 23 -11.314 14.489 15.304 1.00 0.00 C ATOM 0 HA PRO A 23 -9.475 13.494 17.892 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.833 14.699 18.574 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.522 15.666 17.927 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.027 14.739 16.590 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.111 16.210 16.329 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.003 13.890 14.709 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.885 15.237 14.637 1.00 0.00 H new ATOM 333 N HIS A 24 -10.804 11.720 18.876 1.00 0.00 N ATOM 334 CA HIS A 24 -11.339 10.446 19.314 1.00 0.00 C ATOM 335 C HIS A 24 -11.283 10.363 20.781 1.00 0.00 C ATOM 336 O HIS A 24 -10.249 10.568 21.397 1.00 0.00 O ATOM 337 CB HIS A 24 -10.483 9.299 18.777 1.00 0.00 C ATOM 338 CG HIS A 24 -10.456 9.105 17.281 1.00 0.00 C ATOM 339 ND1 HIS A 24 -9.475 9.603 16.456 1.00 0.00 N ATOM 340 CD2 HIS A 24 -11.280 8.393 16.482 1.00 0.00 C ATOM 341 CE1 HIS A 24 -9.725 9.178 15.220 1.00 0.00 C ATOM 342 NE2 HIS A 24 -10.810 8.440 15.178 1.00 0.00 N ATOM 0 H HIS A 24 -10.091 12.105 19.496 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.363 10.370 18.949 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.459 9.453 19.117 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.834 8.373 19.232 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -8.694 10.194 16.741 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.166 7.869 16.808 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.113 9.411 14.361 1.00 0.00 H new ATOM 350 N CYS A 25 -12.368 10.068 21.316 1.00 0.00 N ATOM 351 CA CYS A 25 -12.489 9.759 22.678 1.00 0.00 C ATOM 352 C CYS A 25 -12.439 8.272 22.684 1.00 0.00 C ATOM 353 O CYS A 25 -13.427 7.616 22.382 1.00 0.00 O ATOM 354 CB CYS A 25 -13.819 10.259 23.223 1.00 0.00 C ATOM 355 SG CYS A 25 -14.084 9.906 24.987 1.00 0.00 S ATOM 0 H CYS A 25 -13.250 10.028 20.806 1.00 0.00 H new ATOM 0 HA CYS A 25 -11.720 10.218 23.299 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.881 11.336 23.067 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.627 9.807 22.648 1.00 0.00 H new ATOM 360 N GLY A 26 -11.294 7.723 22.956 1.00 0.00 N ATOM 361 CA GLY A 26 -11.121 6.338 22.723 1.00 0.00 C ATOM 362 C GLY A 26 -11.606 5.526 23.836 1.00 0.00 C ATOM 363 O GLY A 26 -11.866 6.051 24.927 1.00 0.00 O ATOM 0 H GLY A 26 -10.482 8.211 23.334 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.649 6.056 21.812 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.064 6.129 22.556 1.00 0.00 H new ATOM 367 N SER A 27 -11.717 4.245 23.616 1.00 0.00 N ATOM 368 CA SER A 27 -12.059 3.345 24.673 1.00 0.00 C ATOM 369 C SER A 27 -10.797 3.122 25.568 1.00 0.00 C ATOM 370 O SER A 27 -10.796 2.349 26.504 1.00 0.00 O ATOM 371 CB SER A 27 -12.625 2.034 24.133 1.00 0.00 C ATOM 372 OG SER A 27 -13.757 2.299 23.321 1.00 0.00 O ATOM 0 H SER A 27 -11.574 3.803 22.708 1.00 0.00 H new ATOM 0 HA SER A 27 -12.851 3.781 25.283 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.865 1.510 23.554 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.903 1.380 24.959 1.00 0.00 H new ATOM 0 HG SER A 27 -13.867 1.577 22.667 1.00 0.00 H new ATOM 378 N ASP A 28 -9.739 3.903 25.216 1.00 0.00 N ATOM 379 CA ASP A 28 -8.471 4.094 25.930 1.00 0.00 C ATOM 380 C ASP A 28 -8.803 4.866 27.171 1.00 0.00 C ATOM 381 O ASP A 28 -8.042 4.979 28.104 1.00 0.00 O ATOM 382 CB ASP A 28 -7.556 4.930 24.973 1.00 0.00 C ATOM 383 CG ASP A 28 -6.151 5.293 25.478 1.00 0.00 C ATOM 384 OD1 ASP A 28 -6.019 6.291 26.190 1.00 0.00 O ATOM 385 OD2 ASP A 28 -5.151 4.651 25.047 1.00 0.00 O ATOM 0 H ASP A 28 -9.765 4.453 24.357 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.966 3.167 26.202 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.446 4.375 24.041 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.077 5.856 24.732 1.00 0.00 H new ATOM 390 N GLY A 29 -10.006 5.400 27.139 1.00 0.00 N ATOM 391 CA GLY A 29 -10.513 6.188 28.183 1.00 0.00 C ATOM 392 C GLY A 29 -10.315 7.600 27.830 1.00 0.00 C ATOM 393 O GLY A 29 -11.198 8.441 28.022 1.00 0.00 O ATOM 0 H GLY A 29 -10.653 5.281 26.359 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.572 5.980 28.337 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.003 5.955 29.118 1.00 0.00 H new ATOM 397 N GLN A 30 -9.222 7.813 27.186 1.00 0.00 N ATOM 398 CA GLN A 30 -8.732 9.088 26.875 1.00 0.00 C ATOM 399 C GLN A 30 -9.143 9.633 25.575 1.00 0.00 C ATOM 400 O GLN A 30 -9.517 8.909 24.644 1.00 0.00 O ATOM 401 CB GLN A 30 -7.262 9.093 27.043 1.00 0.00 C ATOM 402 CG GLN A 30 -6.989 8.920 28.465 1.00 0.00 C ATOM 403 CD GLN A 30 -5.541 8.638 28.825 1.00 0.00 C ATOM 404 OE1 GLN A 30 -5.054 9.087 29.852 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.888 7.800 28.074 1.00 0.00 N ATOM 0 H GLN A 30 -8.624 7.058 26.850 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.199 9.775 27.581 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.806 8.290 26.463 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.837 10.029 26.681 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.306 9.821 28.990 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.604 8.101 28.838 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.316 7.439 27.221 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.948 7.504 28.338 1.00 0.00 H new ATOM 414 N THR A 31 -9.115 10.914 25.539 1.00 0.00 N ATOM 415 CA THR A 31 -9.403 11.637 24.344 1.00 0.00 C ATOM 416 C THR A 31 -8.117 11.992 23.666 1.00 0.00 C ATOM 417 O THR A 31 -7.185 12.505 24.290 1.00 0.00 O ATOM 418 CB THR A 31 -10.223 12.922 24.576 1.00 0.00 C ATOM 419 OG1 THR A 31 -11.499 12.599 25.171 1.00 0.00 O ATOM 420 CG2 THR A 31 -10.435 13.662 23.235 1.00 0.00 C ATOM 0 H THR A 31 -8.890 11.501 26.342 1.00 0.00 H new ATOM 0 HA THR A 31 -10.017 10.984 23.724 1.00 0.00 H new ATOM 0 HB THR A 31 -9.674 13.572 25.257 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.646 13.166 25.957 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.015 14.569 23.407 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.467 13.926 22.808 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.972 13.014 22.543 1.00 0.00 H new ATOM 428 N TYR A 32 -8.059 11.698 22.424 1.00 0.00 N ATOM 429 CA TYR A 32 -6.953 12.000 21.644 1.00 0.00 C ATOM 430 C TYR A 32 -7.321 12.929 20.539 1.00 0.00 C ATOM 431 O TYR A 32 -8.405 12.832 19.952 1.00 0.00 O ATOM 432 CB TYR A 32 -6.264 10.752 21.184 1.00 0.00 C ATOM 433 CG TYR A 32 -5.548 10.090 22.324 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.498 10.746 22.955 1.00 0.00 C ATOM 435 CD2 TYR A 32 -5.929 8.853 22.799 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.845 10.187 24.016 1.00 0.00 C ATOM 437 CE2 TYR A 32 -5.278 8.288 23.868 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.233 8.963 24.471 1.00 0.00 C ATOM 439 OH TYR A 32 -3.573 8.397 25.541 1.00 0.00 O ATOM 0 H TYR A 32 -8.809 11.226 21.919 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.222 12.534 22.252 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.994 10.064 20.758 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.554 10.993 20.393 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.192 11.719 22.599 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.745 8.325 22.327 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.028 10.711 24.490 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.581 7.319 24.237 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.235 9.105 26.128 1.00 0.00 H new ATOM 449 N GLY A 33 -6.435 13.851 20.313 1.00 0.00 N ATOM 450 CA GLY A 33 -6.644 14.917 19.369 1.00 0.00 C ATOM 451 C GLY A 33 -6.564 14.498 17.928 1.00 0.00 C ATOM 452 O GLY A 33 -7.227 15.086 17.091 1.00 0.00 O ATOM 0 H GLY A 33 -5.531 13.888 20.784 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.623 15.360 19.552 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.903 15.696 19.550 1.00 0.00 H new ATOM 456 N ASN A 34 -5.758 13.498 17.614 1.00 0.00 N ATOM 457 CA ASN A 34 -5.649 13.105 16.239 1.00 0.00 C ATOM 458 C ASN A 34 -5.545 11.589 16.110 1.00 0.00 C ATOM 459 O ASN A 34 -5.481 10.869 17.124 1.00 0.00 O ATOM 460 CB ASN A 34 -4.497 13.845 15.519 1.00 0.00 C ATOM 461 CG ASN A 34 -3.103 13.270 15.733 1.00 0.00 C ATOM 462 OD1 ASN A 34 -2.807 12.646 16.739 1.00 0.00 O ATOM 463 ND2 ASN A 34 -2.234 13.496 14.780 1.00 0.00 N ATOM 0 H ASN A 34 -5.191 12.965 18.274 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.565 13.406 15.731 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.707 13.851 14.449 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.495 14.884 15.849 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.280 13.147 14.867 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.512 14.021 13.951 1.00 0.00 H new ATOM 470 N LYS A 35 -5.518 11.113 14.877 1.00 0.00 N ATOM 471 CA LYS A 35 -5.533 9.672 14.563 1.00 0.00 C ATOM 472 C LYS A 35 -4.335 8.971 15.120 1.00 0.00 C ATOM 473 O LYS A 35 -4.426 7.878 15.657 1.00 0.00 O ATOM 474 CB LYS A 35 -5.676 9.477 13.057 1.00 0.00 C ATOM 475 CG LYS A 35 -5.843 8.042 12.522 1.00 0.00 C ATOM 476 CD LYS A 35 -7.143 7.377 12.967 1.00 0.00 C ATOM 477 CE LYS A 35 -7.474 6.136 12.106 1.00 0.00 C ATOM 478 NZ LYS A 35 -6.449 5.070 12.167 1.00 0.00 N ATOM 0 H LYS A 35 -5.485 11.710 14.051 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.396 9.214 15.047 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.537 10.058 12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.797 9.910 12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.808 8.062 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.001 7.437 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.062 7.083 14.013 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.960 8.095 12.900 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.430 5.726 12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.597 6.448 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.560 4.435 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.501 5.498 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.564 4.527 13.047 1.00 0.00 H new ATOM 492 N CYS A 36 -3.271 9.625 15.011 1.00 0.00 N ATOM 493 CA CYS A 36 -1.986 9.184 15.520 1.00 0.00 C ATOM 494 C CYS A 36 -2.040 8.922 17.005 1.00 0.00 C ATOM 495 O CYS A 36 -1.597 7.886 17.505 1.00 0.00 O ATOM 496 CB CYS A 36 -0.944 10.255 15.244 1.00 0.00 C ATOM 497 SG CYS A 36 0.745 9.814 15.763 1.00 0.00 S ATOM 0 H CYS A 36 -3.229 10.533 14.548 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.723 8.253 15.017 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.938 10.472 14.176 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.240 11.172 15.754 1.00 0.00 H new ATOM 502 N ALA A 37 -2.667 9.816 17.664 1.00 0.00 N ATOM 503 CA ALA A 37 -2.734 9.838 19.098 1.00 0.00 C ATOM 504 C ALA A 37 -3.558 8.661 19.624 1.00 0.00 C ATOM 505 O ALA A 37 -3.192 8.011 20.603 1.00 0.00 O ATOM 506 CB ALA A 37 -3.336 11.152 19.499 1.00 0.00 C ATOM 0 H ALA A 37 -3.169 10.585 17.220 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.738 9.736 19.530 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.403 11.205 20.586 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.709 11.966 19.134 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.334 11.241 19.069 1.00 0.00 H new ATOM 512 N PHE A 38 -4.643 8.380 18.949 1.00 0.00 N ATOM 513 CA PHE A 38 -5.540 7.277 19.330 1.00 0.00 C ATOM 514 C PHE A 38 -5.074 5.938 18.752 1.00 0.00 C ATOM 515 O PHE A 38 -5.487 4.888 19.194 1.00 0.00 O ATOM 516 CB PHE A 38 -6.985 7.635 18.922 1.00 0.00 C ATOM 517 CG PHE A 38 -7.994 6.533 19.050 1.00 0.00 C ATOM 518 CD1 PHE A 38 -8.272 5.956 20.274 1.00 0.00 C ATOM 519 CD2 PHE A 38 -8.668 6.078 17.930 1.00 0.00 C ATOM 520 CE1 PHE A 38 -9.197 4.944 20.373 1.00 0.00 C ATOM 521 CE2 PHE A 38 -9.596 5.071 18.026 1.00 0.00 C ATOM 522 CZ PHE A 38 -9.859 4.503 19.247 1.00 0.00 C ATOM 0 H PHE A 38 -4.944 8.896 18.122 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.513 7.149 20.412 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.316 8.477 19.531 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.976 7.975 17.886 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.759 6.302 21.159 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.461 6.521 16.967 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.405 4.494 21.333 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.117 4.727 17.144 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.586 3.709 19.326 1.00 0.00 H new ATOM 532 N CYS A 39 -4.153 6.004 17.858 1.00 0.00 N ATOM 533 CA CYS A 39 -3.614 4.839 17.170 1.00 0.00 C ATOM 534 C CYS A 39 -2.974 3.922 18.113 1.00 0.00 C ATOM 535 O CYS A 39 -3.313 2.781 18.142 1.00 0.00 O ATOM 536 CB CYS A 39 -2.608 5.285 16.076 1.00 0.00 C ATOM 537 SG CYS A 39 -1.134 4.196 15.906 1.00 0.00 S ATOM 0 H CYS A 39 -3.729 6.883 17.562 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.439 4.308 16.695 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.127 5.326 15.118 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.272 6.298 16.300 1.00 0.00 H new ATOM 542 N LYS A 40 -2.177 4.437 18.992 1.00 0.00 N ATOM 543 CA LYS A 40 -1.305 3.644 19.748 1.00 0.00 C ATOM 544 C LYS A 40 -2.022 2.789 20.693 1.00 0.00 C ATOM 545 O LYS A 40 -1.588 1.712 21.058 1.00 0.00 O ATOM 546 CB LYS A 40 -0.307 4.523 20.435 1.00 0.00 C ATOM 547 CG LYS A 40 -0.822 5.753 21.279 1.00 0.00 C ATOM 548 CD LYS A 40 -1.591 5.317 22.522 1.00 0.00 C ATOM 549 CE LYS A 40 -2.136 6.453 23.365 1.00 0.00 C ATOM 550 NZ LYS A 40 -2.910 5.957 24.565 1.00 0.00 N ATOM 0 H LYS A 40 -2.124 5.435 19.197 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.775 2.968 19.077 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.284 3.893 21.099 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.372 4.908 19.674 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.027 6.368 21.576 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.464 6.376 20.656 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.421 4.682 22.214 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.935 4.706 23.142 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.311 7.081 23.702 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.783 7.080 22.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.146 6.760 25.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.786 5.495 24.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.331 5.274 25.093 1.00 0.00 H new ATOM 564 N ALA A 41 -3.088 3.302 21.051 1.00 0.00 N ATOM 565 CA ALA A 41 -4.006 2.704 21.932 1.00 0.00 C ATOM 566 C ALA A 41 -4.467 1.445 21.310 1.00 0.00 C ATOM 567 O ALA A 41 -4.478 0.391 21.932 1.00 0.00 O ATOM 568 CB ALA A 41 -5.144 3.627 22.065 1.00 0.00 C ATOM 0 H ALA A 41 -3.389 4.221 20.726 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.565 2.499 22.908 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.882 3.199 22.743 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.795 4.580 22.463 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.599 3.787 21.087 1.00 0.00 H new ATOM 574 N ILE A 42 -4.709 1.526 20.034 1.00 0.00 N ATOM 575 CA ILE A 42 -5.260 0.439 19.343 1.00 0.00 C ATOM 576 C ILE A 42 -4.196 -0.596 19.122 1.00 0.00 C ATOM 577 O ILE A 42 -4.299 -1.741 19.560 1.00 0.00 O ATOM 578 CB ILE A 42 -5.765 0.951 18.027 1.00 0.00 C ATOM 579 CG1 ILE A 42 -6.835 1.933 18.313 1.00 0.00 C ATOM 580 CG2 ILE A 42 -6.284 -0.187 17.212 1.00 0.00 C ATOM 581 CD1 ILE A 42 -7.001 2.897 17.211 1.00 0.00 C ATOM 0 H ILE A 42 -4.525 2.350 19.462 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.074 -0.016 19.908 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.968 1.429 17.457 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.775 1.408 18.481 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.600 2.469 19.233 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.650 0.187 16.256 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.483 -0.905 17.037 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.099 -0.676 17.747 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.796 3.601 17.460 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.069 3.441 17.060 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.262 2.363 16.297 1.00 0.00 H new ATOM 593 N VAL A 43 -3.168 -0.127 18.531 1.00 0.00 N ATOM 594 CA VAL A 43 -2.020 -0.895 18.082 1.00 0.00 C ATOM 595 C VAL A 43 -1.342 -1.664 19.209 1.00 0.00 C ATOM 596 O VAL A 43 -0.774 -2.723 19.002 1.00 0.00 O ATOM 597 CB VAL A 43 -0.981 0.059 17.494 1.00 0.00 C ATOM 598 CG1 VAL A 43 0.118 -0.620 16.741 1.00 0.00 C ATOM 599 CG2 VAL A 43 -1.597 1.098 16.665 1.00 0.00 C ATOM 0 H VAL A 43 -3.076 0.867 18.322 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.390 -1.611 17.348 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.518 0.527 18.362 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.812 0.128 16.357 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.649 -1.300 17.407 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.305 -1.184 15.909 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.822 1.753 16.268 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.137 0.633 15.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.291 1.682 17.270 1.00 0.00 H new ATOM 609 N LYS A 44 -1.359 -1.109 20.365 1.00 0.00 N ATOM 610 CA LYS A 44 -0.657 -1.704 21.458 1.00 0.00 C ATOM 611 C LYS A 44 -1.503 -2.619 22.264 1.00 0.00 C ATOM 612 O LYS A 44 -1.016 -3.589 22.830 1.00 0.00 O ATOM 613 CB LYS A 44 -0.027 -0.649 22.279 1.00 0.00 C ATOM 614 CG LYS A 44 1.156 0.028 21.558 1.00 0.00 C ATOM 615 CD LYS A 44 2.323 -0.957 21.360 1.00 0.00 C ATOM 616 CE LYS A 44 3.403 -0.420 20.421 1.00 0.00 C ATOM 617 NZ LYS A 44 2.932 -0.315 19.006 1.00 0.00 N ATOM 0 H LYS A 44 -1.850 -0.243 20.586 1.00 0.00 H new ATOM 0 HA LYS A 44 0.127 -2.339 21.046 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.773 0.104 22.533 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.322 -1.082 23.217 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.827 0.406 20.590 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.495 0.887 22.137 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.770 -1.182 22.328 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.936 -1.895 20.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.725 0.562 20.767 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.274 -1.074 20.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.753 -0.280 18.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.347 -1.143 18.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.368 0.551 18.891 1.00 0.00 H new ATOM 631 N SER A 45 -2.746 -2.308 22.335 1.00 0.00 N ATOM 632 CA SER A 45 -3.666 -3.177 23.007 1.00 0.00 C ATOM 633 C SER A 45 -3.859 -4.444 22.173 1.00 0.00 C ATOM 634 O SER A 45 -3.893 -5.574 22.710 1.00 0.00 O ATOM 635 CB SER A 45 -4.995 -2.473 23.229 1.00 0.00 C ATOM 636 OG SER A 45 -5.902 -3.267 23.978 1.00 0.00 O ATOM 0 H SER A 45 -3.158 -1.462 21.940 1.00 0.00 H new ATOM 0 HA SER A 45 -3.263 -3.448 23.983 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.823 -1.531 23.750 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.440 -2.227 22.265 1.00 0.00 H new ATOM 0 HG SER A 45 -6.267 -2.737 24.717 1.00 0.00 H new ATOM 642 N GLY A 46 -3.909 -4.275 20.864 1.00 0.00 N ATOM 643 CA GLY A 46 -4.137 -5.340 20.018 1.00 0.00 C ATOM 644 C GLY A 46 -5.340 -5.166 19.193 1.00 0.00 C ATOM 645 O GLY A 46 -5.985 -6.139 18.835 1.00 0.00 O ATOM 0 H GLY A 46 -3.787 -3.377 20.396 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.272 -5.473 19.368 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.235 -6.252 20.608 1.00 0.00 H new ATOM 649 N GLY A 47 -5.692 -3.934 18.944 1.00 0.00 N ATOM 650 CA GLY A 47 -6.897 -3.657 18.208 1.00 0.00 C ATOM 651 C GLY A 47 -8.093 -3.751 19.106 1.00 0.00 C ATOM 652 O GLY A 47 -9.206 -3.475 18.699 1.00 0.00 O ATOM 0 H GLY A 47 -5.166 -3.111 19.237 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.841 -2.661 17.769 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.997 -4.363 17.384 1.00 0.00 H new ATOM 656 N LYS A 48 -7.842 -4.166 20.349 1.00 0.00 N ATOM 657 CA LYS A 48 -8.887 -4.313 21.335 1.00 0.00 C ATOM 658 C LYS A 48 -9.536 -2.994 21.712 1.00 0.00 C ATOM 659 O LYS A 48 -10.691 -2.965 22.136 1.00 0.00 O ATOM 660 CB LYS A 48 -8.328 -5.003 22.539 1.00 0.00 C ATOM 661 CG LYS A 48 -7.792 -6.381 22.229 1.00 0.00 C ATOM 662 CD LYS A 48 -6.655 -6.689 23.142 1.00 0.00 C ATOM 663 CE LYS A 48 -5.957 -7.982 22.778 1.00 0.00 C ATOM 664 NZ LYS A 48 -4.666 -8.102 23.505 1.00 0.00 N ATOM 0 H LYS A 48 -6.910 -4.406 20.688 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.681 -4.917 20.896 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.529 -4.394 22.962 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.105 -5.083 23.299 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.580 -7.125 22.348 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.462 -6.430 21.191 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.936 -5.870 23.112 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.022 -6.753 24.166 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.598 -8.829 23.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.780 -8.016 21.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.132 -8.913 23.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.111 -7.232 23.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.850 -8.245 24.519 1.00 0.00 H new ATOM 678 N ILE A 49 -8.808 -1.911 21.587 1.00 0.00 N ATOM 679 CA ILE A 49 -9.393 -0.635 21.893 1.00 0.00 C ATOM 680 C ILE A 49 -10.124 -0.095 20.700 1.00 0.00 C ATOM 681 O ILE A 49 -9.680 -0.199 19.566 1.00 0.00 O ATOM 682 CB ILE A 49 -8.357 0.352 22.430 1.00 0.00 C ATOM 683 CG1 ILE A 49 -7.811 -0.192 23.731 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.931 1.776 22.624 1.00 0.00 C ATOM 685 CD1 ILE A 49 -6.544 0.436 24.135 1.00 0.00 C ATOM 0 H ILE A 49 -7.835 -1.888 21.283 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.120 -0.778 22.692 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.559 0.451 21.694 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.550 -0.043 24.518 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.661 -1.267 23.633 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.151 2.434 23.007 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.290 2.157 21.668 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.757 1.742 23.334 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.206 0.001 25.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.791 0.265 23.365 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.694 1.508 24.264 1.00 0.00 H new ATOM 697 N SER A 50 -11.206 0.489 20.996 1.00 0.00 N ATOM 698 CA SER A 50 -12.126 0.993 20.063 1.00 0.00 C ATOM 699 C SER A 50 -12.362 2.433 20.406 1.00 0.00 C ATOM 700 O SER A 50 -11.700 2.973 21.295 1.00 0.00 O ATOM 701 CB SER A 50 -13.409 0.172 20.186 1.00 0.00 C ATOM 702 OG SER A 50 -13.782 0.034 21.564 1.00 0.00 O ATOM 0 H SER A 50 -11.497 0.641 21.962 1.00 0.00 H new ATOM 0 HA SER A 50 -11.766 0.925 19.036 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.213 0.656 19.631 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.263 -0.812 19.742 1.00 0.00 H new ATOM 0 HG SER A 50 -14.606 -0.492 21.629 1.00 0.00 H new ATOM 708 N LEU A 51 -13.200 3.075 19.700 1.00 0.00 N ATOM 709 CA LEU A 51 -13.549 4.331 19.954 1.00 0.00 C ATOM 710 C LEU A 51 -14.852 4.440 20.700 1.00 0.00 C ATOM 711 O LEU A 51 -15.767 3.671 20.448 1.00 0.00 O ATOM 712 CB LEU A 51 -13.755 4.966 18.688 1.00 0.00 C ATOM 713 CG LEU A 51 -14.054 6.345 18.847 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.863 6.997 19.357 1.00 0.00 C ATOM 715 CD2 LEU A 51 -14.547 6.879 17.629 1.00 0.00 C ATOM 0 H LEU A 51 -13.667 2.675 18.886 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.765 4.782 20.563 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.863 4.853 18.072 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.571 4.473 18.160 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.852 6.514 19.569 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.060 8.061 19.491 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.588 6.555 20.315 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.045 6.865 18.649 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.774 7.937 17.761 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.794 6.764 16.850 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.453 6.347 17.339 1.00 0.00 H new ATOM 727 N LYS A 52 -14.913 5.369 21.635 1.00 0.00 N ATOM 728 CA LYS A 52 -16.188 5.720 22.187 1.00 0.00 C ATOM 729 C LYS A 52 -16.858 6.663 21.248 1.00 0.00 C ATOM 730 O LYS A 52 -17.932 6.414 20.727 1.00 0.00 O ATOM 731 CB LYS A 52 -16.137 6.459 23.504 1.00 0.00 C ATOM 732 CG LYS A 52 -15.169 6.018 24.531 1.00 0.00 C ATOM 733 CD LYS A 52 -15.565 6.649 25.873 1.00 0.00 C ATOM 734 CE LYS A 52 -14.484 6.582 26.938 1.00 0.00 C ATOM 735 NZ LYS A 52 -13.356 7.481 26.615 1.00 0.00 N ATOM 0 H LYS A 52 -14.113 5.877 22.014 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.701 4.771 22.343 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.933 7.507 23.287 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.132 6.413 23.947 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.168 4.931 24.609 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.159 6.319 24.254 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.830 7.693 25.706 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.459 6.149 26.247 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.906 6.857 27.905 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.122 5.558 27.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.841 7.719 27.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.712 7.005 25.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.720 8.352 26.179 1.00 0.00 H new ATOM 749 N HIS A 53 -16.173 7.734 21.006 1.00 0.00 N ATOM 750 CA HIS A 53 -16.791 8.877 20.315 1.00 0.00 C ATOM 751 C HIS A 53 -15.807 9.580 19.418 1.00 0.00 C ATOM 752 O HIS A 53 -14.632 9.720 19.779 1.00 0.00 O ATOM 753 CB HIS A 53 -17.305 9.950 21.326 1.00 0.00 C ATOM 754 CG HIS A 53 -18.297 9.495 22.362 1.00 0.00 C ATOM 755 ND1 HIS A 53 -18.139 9.717 23.716 1.00 0.00 N ATOM 756 CD2 HIS A 53 -19.491 8.867 22.227 1.00 0.00 C ATOM 757 CE1 HIS A 53 -19.210 9.225 24.342 1.00 0.00 C ATOM 758 NE2 HIS A 53 -20.062 8.699 23.488 1.00 0.00 N ATOM 0 H HIS A 53 -15.195 7.865 21.263 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.615 8.459 19.737 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.442 10.368 21.844 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -17.758 10.762 20.757 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.344 10.176 24.160 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -19.929 8.548 21.293 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -19.358 9.255 25.411 1.00 0.00 H new ATOM 766 N PRO A 54 -16.238 10.002 18.221 1.00 0.00 N ATOM 767 CA PRO A 54 -15.445 10.884 17.397 1.00 0.00 C ATOM 768 C PRO A 54 -15.560 12.285 17.988 1.00 0.00 C ATOM 769 O PRO A 54 -16.625 12.905 17.953 1.00 0.00 O ATOM 770 CB PRO A 54 -16.117 10.823 16.008 1.00 0.00 C ATOM 771 CG PRO A 54 -17.178 9.773 16.115 1.00 0.00 C ATOM 772 CD PRO A 54 -17.506 9.645 17.573 1.00 0.00 C ATOM 0 HA PRO A 54 -14.390 10.617 17.339 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.547 11.788 15.739 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.393 10.570 15.234 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.061 10.055 15.542 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.826 8.823 15.712 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.314 10.315 17.867 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.822 8.634 17.830 1.00 0.00 H new ATOM 780 N GLY A 55 -14.496 12.751 18.547 1.00 0.00 N ATOM 781 CA GLY A 55 -14.518 13.983 19.269 1.00 0.00 C ATOM 782 C GLY A 55 -14.102 13.734 20.687 1.00 0.00 C ATOM 783 O GLY A 55 -13.902 12.588 21.075 1.00 0.00 O ATOM 0 H GLY A 55 -13.586 12.292 18.518 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.846 14.703 18.802 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.518 14.416 19.242 1.00 0.00 H new ATOM 787 N LYS A 56 -13.904 14.781 21.432 1.00 0.00 N ATOM 788 CA LYS A 56 -13.522 14.681 22.795 1.00 0.00 C ATOM 789 C LYS A 56 -14.661 14.293 23.720 1.00 0.00 C ATOM 790 O LYS A 56 -15.821 14.213 23.343 1.00 0.00 O ATOM 791 CB LYS A 56 -12.861 16.012 23.241 1.00 0.00 C ATOM 792 CG LYS A 56 -13.805 17.206 23.400 1.00 0.00 C ATOM 793 CD LYS A 56 -14.382 17.376 24.820 1.00 0.00 C ATOM 794 CE LYS A 56 -13.309 17.693 25.869 1.00 0.00 C ATOM 795 NZ LYS A 56 -13.881 17.742 27.242 1.00 0.00 N ATOM 0 H LYS A 56 -14.007 15.739 21.098 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.803 13.866 22.872 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.356 15.844 24.192 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.093 16.275 22.514 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.270 18.116 23.127 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.630 17.098 22.696 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.122 18.176 24.812 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.903 16.463 25.106 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.525 16.937 25.828 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.842 18.650 25.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.221 17.295 27.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.035 18.733 27.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.788 17.233 27.259 1.00 0.00 H new ATOM 809 N CYS A 57 -14.266 14.116 24.913 1.00 0.00 N ATOM 810 CA CYS A 57 -15.094 13.828 26.052 1.00 0.00 C ATOM 811 C CYS A 57 -14.639 14.783 27.112 1.00 0.00 C ATOM 812 O CYS A 57 -13.439 14.768 27.437 1.00 0.00 O ATOM 813 CB CYS A 57 -14.924 12.386 26.538 1.00 0.00 C ATOM 814 SG CYS A 57 -15.650 11.089 25.459 1.00 0.00 S ATOM 815 OXT CYS A 57 -15.417 15.656 27.527 1.00 0.00 O ATOM 0 H CYS A 57 -13.278 14.169 25.160 1.00 0.00 H new ATOM 0 HA CYS A 57 -16.150 13.938 25.804 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.859 12.184 26.651 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -15.372 12.301 27.528 1.00 0.00 H new TER 820 CYS A 57