USER MOD reduce.3.24.130724 H: found=0, std=0, add=326, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 324 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 Single : A 1 ALA N :NH3+ -116:sc= 0.0737 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.6) USER MOD Single : A 4 GLN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.765 K(o=0.77,f=-4.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.22) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.15) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0.635) USER MOD Single : A 31 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-0.11) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 148:sc= 2.04 (180deg=0.909) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.088 20.474 38.496 1.00 0.00 N ATOM 2 CA ALA A 1 25.793 20.487 37.782 1.00 0.00 C ATOM 3 C ALA A 1 24.773 19.570 38.480 1.00 0.00 C ATOM 4 O ALA A 1 25.167 18.625 39.170 1.00 0.00 O ATOM 5 CB ALA A 1 25.987 20.126 36.306 1.00 0.00 C ATOM 0 H1 ALA A 1 27.286 21.423 38.874 1.00 0.00 H new ATOM 0 H2 ALA A 1 27.046 19.791 39.280 1.00 0.00 H new ATOM 0 H3 ALA A 1 27.845 20.199 37.838 1.00 0.00 H new ATOM 0 HA ALA A 1 25.385 21.497 37.815 1.00 0.00 H new ATOM 0 HB1 ALA A 1 25.023 20.141 35.798 1.00 0.00 H new ATOM 0 HB2 ALA A 1 26.655 20.850 35.839 1.00 0.00 H new ATOM 0 HB3 ALA A 1 26.422 19.130 36.229 1.00 0.00 H new ATOM 13 N LYS A 2 23.461 19.850 38.350 1.00 0.00 N ATOM 14 CA LYS A 2 22.391 19.220 39.156 1.00 0.00 C ATOM 15 C LYS A 2 21.282 18.545 38.345 1.00 0.00 C ATOM 16 O LYS A 2 20.798 17.490 38.756 1.00 0.00 O ATOM 17 CB LYS A 2 21.821 20.299 40.096 1.00 0.00 C ATOM 18 CG LYS A 2 20.609 19.830 40.921 1.00 0.00 C ATOM 19 CD LYS A 2 20.164 20.835 41.992 1.00 0.00 C ATOM 20 CE LYS A 2 19.864 22.226 41.419 1.00 0.00 C ATOM 21 NZ LYS A 2 19.230 23.119 42.419 1.00 0.00 N1+ ATOM 0 H LYS A 2 23.108 20.528 37.675 1.00 0.00 H new ATOM 0 HA LYS A 2 22.838 18.397 39.714 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.607 20.626 40.777 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.531 21.167 39.504 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.774 19.638 40.247 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.853 18.883 41.403 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.274 20.454 42.492 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.943 20.920 42.749 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.790 22.679 41.065 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.207 22.127 40.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.046 24.047 41.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.333 22.701 42.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.867 23.236 43.233 1.00 0.00 H new ATOM 35 N ASN A 3 20.846 19.158 37.247 1.00 0.00 N ATOM 36 CA ASN A 3 19.748 18.639 36.418 1.00 0.00 C ATOM 37 C ASN A 3 19.678 19.221 35.001 1.00 0.00 C ATOM 38 O ASN A 3 19.265 18.525 34.073 1.00 0.00 O ATOM 39 CB ASN A 3 18.394 18.888 37.110 1.00 0.00 C ATOM 40 CG ASN A 3 18.006 20.329 37.400 1.00 0.00 C ATOM 41 OD1 ASN A 3 18.822 21.235 37.510 1.00 0.00 O ATOM 42 ND2 ASN A 3 16.730 20.579 37.563 1.00 0.00 N ATOM 0 H ASN A 3 21.242 20.032 36.901 1.00 0.00 H new ATOM 0 HA ASN A 3 19.959 17.575 36.312 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.614 18.448 36.489 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.394 18.344 38.054 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.420 21.526 37.781 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.047 19.827 37.472 1.00 0.00 H new ATOM 49 N GLN A 4 20.015 20.499 34.837 1.00 0.00 N ATOM 50 CA GLN A 4 19.816 21.226 33.578 1.00 0.00 C ATOM 51 C GLN A 4 21.102 21.737 32.910 1.00 0.00 C ATOM 52 O GLN A 4 21.022 22.448 31.913 1.00 0.00 O ATOM 53 CB GLN A 4 18.775 22.319 33.800 1.00 0.00 C ATOM 54 CG GLN A 4 19.291 23.524 34.599 1.00 0.00 C ATOM 55 CD GLN A 4 18.123 24.399 34.972 1.00 0.00 C ATOM 56 OE1 GLN A 4 17.730 24.541 36.127 1.00 0.00 O ATOM 57 NE2 GLN A 4 17.475 24.946 33.983 1.00 0.00 N ATOM 0 H GLN A 4 20.436 21.064 35.575 1.00 0.00 H new ATOM 0 HA GLN A 4 19.442 20.512 32.844 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.416 22.666 32.831 1.00 0.00 H new ATOM 0 HB3 GLN A 4 17.919 21.890 34.322 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.811 23.187 35.496 1.00 0.00 H new ATOM 0 HG3 GLN A 4 20.011 24.089 34.007 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.807 24.824 33.026 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.636 25.496 34.165 1.00 0.00 H new ATOM 66 N PHE A 5 22.284 21.431 33.457 1.00 0.00 N ATOM 67 CA PHE A 5 23.584 21.990 33.046 1.00 0.00 C ATOM 68 C PHE A 5 23.663 23.534 33.049 1.00 0.00 C ATOM 69 O PHE A 5 24.570 24.099 32.437 1.00 0.00 O ATOM 70 CB PHE A 5 23.999 21.417 31.679 1.00 0.00 C ATOM 71 CG PHE A 5 23.937 19.911 31.558 1.00 0.00 C ATOM 72 CD1 PHE A 5 25.050 19.131 31.913 1.00 0.00 C ATOM 73 CD2 PHE A 5 22.766 19.289 31.087 1.00 0.00 C ATOM 74 CE1 PHE A 5 24.987 17.734 31.795 1.00 0.00 C ATOM 75 CE2 PHE A 5 22.709 17.890 30.963 1.00 0.00 C ATOM 76 CZ PHE A 5 23.822 17.112 31.317 1.00 0.00 C ATOM 0 H PHE A 5 22.368 20.765 34.225 1.00 0.00 H new ATOM 0 HA PHE A 5 24.293 21.678 33.813 1.00 0.00 H new ATOM 0 HB2 PHE A 5 23.358 21.852 30.912 1.00 0.00 H new ATOM 0 HB3 PHE A 5 25.018 21.740 31.464 1.00 0.00 H new ATOM 0 HD1 PHE A 5 25.951 19.604 32.275 1.00 0.00 H new ATOM 0 HD2 PHE A 5 21.908 19.888 30.820 1.00 0.00 H new ATOM 0 HE1 PHE A 5 25.840 17.133 32.074 1.00 0.00 H new ATOM 0 HE2 PHE A 5 21.811 17.415 30.596 1.00 0.00 H new ATOM 0 HZ PHE A 5 23.783 16.037 31.222 1.00 0.00 H new ATOM 86 N GLY A 6 22.716 24.219 33.700 1.00 0.00 N ATOM 87 CA GLY A 6 22.520 25.675 33.603 1.00 0.00 C ATOM 88 C GLY A 6 21.733 26.153 32.363 1.00 0.00 C ATOM 89 O GLY A 6 21.390 27.336 32.269 1.00 0.00 O ATOM 0 H GLY A 6 22.047 23.768 34.324 1.00 0.00 H new ATOM 0 HA2 GLY A 6 21.998 26.015 34.498 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.497 26.157 33.601 1.00 0.00 H new ATOM 93 N CYS A 7 21.391 25.247 31.443 1.00 0.00 N ATOM 94 CA CYS A 7 20.616 25.527 30.237 1.00 0.00 C ATOM 95 C CYS A 7 19.111 25.679 30.510 1.00 0.00 C ATOM 96 O CYS A 7 18.515 24.911 31.275 1.00 0.00 O ATOM 97 CB CYS A 7 20.787 24.379 29.232 1.00 0.00 C ATOM 98 SG CYS A 7 22.454 24.049 28.615 1.00 0.00 S ATOM 0 H CYS A 7 21.657 24.265 31.523 1.00 0.00 H new ATOM 0 HA CYS A 7 20.995 26.471 29.845 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.414 23.467 29.697 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.146 24.584 28.375 1.00 0.00 H new ATOM 103 N PHE A 8 18.478 26.622 29.814 1.00 0.00 N ATOM 104 CA PHE A 8 17.022 26.737 29.724 1.00 0.00 C ATOM 105 C PHE A 8 16.573 27.399 28.408 1.00 0.00 C ATOM 106 O PHE A 8 17.086 28.450 28.017 1.00 0.00 O ATOM 107 CB PHE A 8 16.454 27.450 30.963 1.00 0.00 C ATOM 108 CG PHE A 8 14.947 27.584 30.928 1.00 0.00 C ATOM 109 CD1 PHE A 8 14.354 28.687 30.287 1.00 0.00 C ATOM 110 CD2 PHE A 8 14.136 26.569 31.465 1.00 0.00 C ATOM 111 CE1 PHE A 8 12.959 28.734 30.121 1.00 0.00 C ATOM 112 CE2 PHE A 8 12.743 26.619 31.295 1.00 0.00 C ATOM 113 CZ PHE A 8 12.155 27.691 30.607 1.00 0.00 C ATOM 0 H PHE A 8 18.972 27.342 29.286 1.00 0.00 H new ATOM 0 HA PHE A 8 16.608 25.729 29.709 1.00 0.00 H new ATOM 0 HB2 PHE A 8 16.744 26.899 31.858 1.00 0.00 H new ATOM 0 HB3 PHE A 8 16.900 28.442 31.041 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.970 29.496 29.923 1.00 0.00 H new ATOM 0 HD2 PHE A 8 14.584 25.751 32.008 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.505 29.575 29.618 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.123 25.830 31.695 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.086 27.714 30.452 1.00 0.00 H new ATOM 123 N ALA A 9 15.593 26.783 27.733 1.00 0.00 N ATOM 124 CA ALA A 9 15.021 27.226 26.457 1.00 0.00 C ATOM 125 C ALA A 9 16.098 27.575 25.410 1.00 0.00 C ATOM 126 O ALA A 9 16.131 28.680 24.866 1.00 0.00 O ATOM 127 CB ALA A 9 13.985 28.330 26.712 1.00 0.00 C ATOM 0 H ALA A 9 15.160 25.926 28.077 1.00 0.00 H new ATOM 0 HA ALA A 9 14.487 26.395 25.996 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.561 28.658 25.763 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.190 27.943 27.350 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.467 29.174 27.205 1.00 0.00 H new ATOM 133 N ASN A 10 17.001 26.622 25.151 1.00 0.00 N ATOM 134 CA ASN A 10 18.131 26.726 24.208 1.00 0.00 C ATOM 135 C ASN A 10 19.198 27.802 24.525 1.00 0.00 C ATOM 136 O ASN A 10 20.033 28.109 23.664 1.00 0.00 O ATOM 137 CB ASN A 10 17.611 26.787 22.754 1.00 0.00 C ATOM 138 CG ASN A 10 16.798 25.614 22.322 1.00 0.00 C ATOM 139 OD1 ASN A 10 16.633 24.611 22.998 1.00 0.00 O ATOM 140 ND2 ASN A 10 16.257 25.716 21.149 1.00 0.00 N ATOM 0 H ASN A 10 16.966 25.713 25.613 1.00 0.00 H new ATOM 0 HA ASN A 10 18.702 25.808 24.342 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.010 27.689 22.637 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.465 26.884 22.083 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.687 24.954 20.782 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.401 26.558 20.592 1.00 0.00 H new ATOM 147 N VAL A 11 19.218 28.343 25.750 1.00 0.00 N ATOM 148 CA VAL A 11 20.165 29.381 26.203 1.00 0.00 C ATOM 149 C VAL A 11 20.834 28.979 27.523 1.00 0.00 C ATOM 150 O VAL A 11 20.224 28.355 28.385 1.00 0.00 O ATOM 151 CB VAL A 11 19.466 30.756 26.319 1.00 0.00 C ATOM 152 CG1 VAL A 11 20.452 31.881 26.659 1.00 0.00 C ATOM 153 CG2 VAL A 11 18.789 31.160 25.003 1.00 0.00 C ATOM 0 H VAL A 11 18.559 28.066 26.477 1.00 0.00 H new ATOM 0 HA VAL A 11 20.950 29.472 25.452 1.00 0.00 H new ATOM 0 HB VAL A 11 18.733 30.635 27.117 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.915 32.827 26.730 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.935 31.666 27.612 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.208 31.951 25.877 1.00 0.00 H new ATOM 0 HG21 VAL A 11 18.309 32.131 25.124 1.00 0.00 H new ATOM 0 HG22 VAL A 11 19.537 31.221 24.213 1.00 0.00 H new ATOM 0 HG23 VAL A 11 18.039 30.415 24.736 1.00 0.00 H new ATOM 163 N ASP A 12 22.086 29.391 27.702 1.00 0.00 N ATOM 164 CA ASP A 12 22.940 29.222 28.883 1.00 0.00 C ATOM 165 C ASP A 12 22.600 30.176 30.057 1.00 0.00 C ATOM 166 O ASP A 12 23.487 30.625 30.784 1.00 0.00 O ATOM 167 CB ASP A 12 24.416 29.317 28.430 1.00 0.00 C ATOM 168 CG ASP A 12 24.820 30.608 27.702 1.00 0.00 C ATOM 169 OD1 ASP A 12 26.029 30.944 27.684 1.00 0.00 O ATOM 170 OD2 ASP A 12 23.988 31.263 27.036 1.00 0.00 O1- ATOM 0 H ASP A 12 22.575 29.896 26.963 1.00 0.00 H new ATOM 0 HA ASP A 12 22.750 28.236 29.307 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.052 29.206 29.308 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.628 28.473 27.774 1.00 0.00 H new ATOM 175 N VAL A 13 21.321 30.519 30.253 1.00 0.00 N ATOM 176 CA VAL A 13 20.853 31.591 31.165 1.00 0.00 C ATOM 177 C VAL A 13 21.237 31.445 32.638 1.00 0.00 C ATOM 178 O VAL A 13 21.400 32.464 33.314 1.00 0.00 O ATOM 179 CB VAL A 13 19.323 31.784 31.105 1.00 0.00 C ATOM 180 CG1 VAL A 13 18.960 32.784 30.019 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.540 30.493 30.851 1.00 0.00 C ATOM 0 H VAL A 13 20.554 30.050 29.771 1.00 0.00 H new ATOM 0 HA VAL A 13 21.385 32.460 30.777 1.00 0.00 H new ATOM 0 HB VAL A 13 19.040 32.148 32.093 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.878 32.910 29.988 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.431 33.743 30.235 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.310 32.417 29.054 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.473 30.714 30.823 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.847 30.063 29.897 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.742 29.781 31.651 1.00 0.00 H new ATOM 191 N LYS A 14 21.369 30.216 33.144 1.00 0.00 N ATOM 192 CA LYS A 14 21.822 29.903 34.520 1.00 0.00 C ATOM 193 C LYS A 14 23.225 29.275 34.566 1.00 0.00 C ATOM 194 O LYS A 14 23.808 29.163 35.648 1.00 0.00 O ATOM 195 CB LYS A 14 20.772 29.022 35.231 1.00 0.00 C ATOM 196 CG LYS A 14 19.374 29.663 35.343 1.00 0.00 C ATOM 197 CD LYS A 14 19.281 30.839 36.327 1.00 0.00 C ATOM 198 CE LYS A 14 19.315 30.366 37.787 1.00 0.00 C ATOM 199 NZ LYS A 14 18.948 31.446 38.739 1.00 0.00 N1+ ATOM 0 H LYS A 14 21.160 29.380 32.599 1.00 0.00 H new ATOM 0 HA LYS A 14 21.912 30.846 35.058 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.684 28.078 34.693 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.132 28.786 36.233 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.068 30.009 34.356 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.661 28.896 35.647 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.107 31.528 36.149 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.360 31.392 36.146 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.630 29.527 37.911 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.314 29.999 38.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.985 31.079 39.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.617 32.237 38.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.985 31.779 38.531 1.00 0.00 H new ATOM 213 N GLY A 15 23.772 28.897 33.411 1.00 0.00 N ATOM 214 CA GLY A 15 25.140 28.407 33.231 1.00 0.00 C ATOM 215 C GLY A 15 25.362 27.805 31.841 1.00 0.00 C ATOM 216 O GLY A 15 24.424 27.330 31.204 1.00 0.00 O ATOM 0 H GLY A 15 23.250 28.925 32.535 1.00 0.00 H new ATOM 0 HA2 GLY A 15 25.841 29.227 33.386 1.00 0.00 H new ATOM 0 HA3 GLY A 15 25.357 27.655 33.989 1.00 0.00 H new ATOM 220 N ASP A 16 26.605 27.828 31.362 1.00 0.00 N ATOM 221 CA ASP A 16 27.009 27.211 30.094 1.00 0.00 C ATOM 222 C ASP A 16 27.343 25.722 30.256 1.00 0.00 C ATOM 223 O ASP A 16 28.038 25.331 31.202 1.00 0.00 O ATOM 224 CB ASP A 16 28.197 27.967 29.484 1.00 0.00 C ATOM 225 CG ASP A 16 29.430 27.913 30.386 1.00 0.00 C ATOM 226 OD1 ASP A 16 30.412 27.221 30.038 1.00 0.00 O ATOM 227 OD2 ASP A 16 29.425 28.577 31.454 1.00 0.00 O1- ATOM 0 H ASP A 16 27.375 28.284 31.851 1.00 0.00 H new ATOM 0 HA ASP A 16 26.159 27.279 29.415 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.439 27.539 28.512 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.917 29.007 29.313 1.00 0.00 H new ATOM 232 N CYS A 17 26.907 24.900 29.296 1.00 0.00 N ATOM 233 CA CYS A 17 27.114 23.451 29.328 1.00 0.00 C ATOM 234 C CYS A 17 28.354 22.967 28.553 1.00 0.00 C ATOM 235 O CYS A 17 28.694 21.780 28.569 1.00 0.00 O ATOM 236 CB CYS A 17 25.824 22.748 28.927 1.00 0.00 C ATOM 237 SG CYS A 17 25.479 22.529 27.165 1.00 0.00 S ATOM 0 H CYS A 17 26.399 25.223 28.473 1.00 0.00 H new ATOM 0 HA CYS A 17 27.353 23.173 30.354 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.825 21.762 29.391 1.00 0.00 H new ATOM 0 HB3 CYS A 17 24.993 23.304 29.362 1.00 0.00 H new ATOM 242 N LYS A 18 29.091 23.887 27.914 1.00 0.00 N ATOM 243 CA LYS A 18 30.328 23.551 27.190 1.00 0.00 C ATOM 244 C LYS A 18 31.425 22.998 28.105 1.00 0.00 C ATOM 245 O LYS A 18 32.177 22.148 27.648 1.00 0.00 O ATOM 246 CB LYS A 18 30.794 24.727 26.310 1.00 0.00 C ATOM 247 CG LYS A 18 31.894 24.295 25.313 1.00 0.00 C ATOM 248 CD LYS A 18 33.328 24.590 25.784 1.00 0.00 C ATOM 249 CE LYS A 18 33.785 25.988 25.346 1.00 0.00 C ATOM 250 NZ LYS A 18 34.412 25.999 24.002 1.00 0.00 N1+ ATOM 0 H LYS A 18 28.850 24.878 27.884 1.00 0.00 H new ATOM 0 HA LYS A 18 30.095 22.728 26.514 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.943 25.130 25.761 1.00 0.00 H new ATOM 0 HB3 LYS A 18 31.172 25.529 26.944 1.00 0.00 H new ATOM 0 HG2 LYS A 18 31.799 23.225 25.126 1.00 0.00 H new ATOM 0 HG3 LYS A 18 31.725 24.801 24.362 1.00 0.00 H new ATOM 0 HD2 LYS A 18 33.379 24.513 26.870 1.00 0.00 H new ATOM 0 HD3 LYS A 18 34.007 23.840 25.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 32.928 26.661 25.346 1.00 0.00 H new ATOM 0 HE3 LYS A 18 34.496 26.377 26.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 34.638 26.978 23.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 35.285 25.435 24.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 33.753 25.592 23.308 1.00 0.00 H new ATOM 264 N ARG A 19 31.494 23.355 29.396 1.00 0.00 N ATOM 265 CA ARG A 19 32.443 22.735 30.352 1.00 0.00 C ATOM 266 C ARG A 19 32.150 21.254 30.617 1.00 0.00 C ATOM 267 O ARG A 19 33.084 20.452 30.667 1.00 0.00 O ATOM 268 CB ARG A 19 32.494 23.549 31.661 1.00 0.00 C ATOM 269 CG ARG A 19 33.784 24.370 31.800 1.00 0.00 C ATOM 270 CD ARG A 19 33.763 25.633 30.933 1.00 0.00 C ATOM 271 NE ARG A 19 32.753 26.590 31.402 1.00 0.00 N ATOM 272 CZ ARG A 19 32.847 27.418 32.424 1.00 0.00 C ATOM 273 NH1 ARG A 19 33.866 27.475 33.229 1.00 0.00 N1+ ATOM 274 NH2 ARG A 19 31.876 28.226 32.691 1.00 0.00 N ATOM 0 H ARG A 19 30.902 24.075 29.811 1.00 0.00 H new ATOM 0 HA ARG A 19 33.428 22.760 29.887 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.636 24.220 31.700 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.407 22.870 32.509 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.923 24.650 32.844 1.00 0.00 H new ATOM 0 HG3 ARG A 19 34.637 23.753 31.519 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.746 26.103 30.949 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.556 25.362 29.898 1.00 0.00 H new ATOM 0 HE ARG A 19 31.879 26.617 30.877 1.00 0.00 H new ATOM 0 HH11 ARG A 19 34.662 26.852 33.089 1.00 0.00 H new ATOM 0 HH12 ARG A 19 33.870 28.142 34.000 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.037 28.224 32.112 1.00 0.00 H new ATOM 0 HH22 ARG A 19 31.948 28.867 33.481 1.00 0.00 H new ATOM 288 N HIS A 20 30.882 20.857 30.684 1.00 0.00 N ATOM 289 CA HIS A 20 30.454 19.450 30.727 1.00 0.00 C ATOM 290 C HIS A 20 30.855 18.693 29.447 1.00 0.00 C ATOM 291 O HIS A 20 31.291 17.544 29.524 1.00 0.00 O ATOM 292 CB HIS A 20 28.939 19.401 31.004 1.00 0.00 C ATOM 293 CG HIS A 20 28.261 18.172 30.473 1.00 0.00 C ATOM 294 ND1 HIS A 20 28.280 16.905 31.055 1.00 0.00 N ATOM 295 CD2 HIS A 20 27.589 18.113 29.289 1.00 0.00 C ATOM 296 CE1 HIS A 20 27.596 16.115 30.211 1.00 0.00 C ATOM 297 NE2 HIS A 20 27.183 16.811 29.139 1.00 0.00 N ATOM 0 H HIS A 20 30.102 21.514 30.711 1.00 0.00 H new ATOM 0 HA HIS A 20 30.969 18.934 31.538 1.00 0.00 H new ATOM 0 HB2 HIS A 20 28.775 19.458 32.080 1.00 0.00 H new ATOM 0 HB3 HIS A 20 28.471 20.281 30.563 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.411 18.929 28.604 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.404 15.064 30.372 1.00 0.00 H new ATOM 0 HE2 HIS A 20 26.658 16.436 28.349 1.00 0.00 H new ATOM 305 N CYS A 21 30.811 19.338 28.276 1.00 0.00 N ATOM 306 CA CYS A 21 31.345 18.772 27.026 1.00 0.00 C ATOM 307 C CYS A 21 32.882 18.806 26.947 1.00 0.00 C ATOM 308 O CYS A 21 33.487 17.892 26.388 1.00 0.00 O ATOM 309 CB CYS A 21 30.657 19.461 25.846 1.00 0.00 C ATOM 310 SG CYS A 21 28.955 18.876 25.632 1.00 0.00 S ATOM 0 H CYS A 21 30.405 20.267 28.165 1.00 0.00 H new ATOM 0 HA CYS A 21 31.114 17.707 26.993 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.654 20.539 26.005 1.00 0.00 H new ATOM 0 HB3 CYS A 21 31.224 19.274 24.934 1.00 0.00 H new ATOM 315 N LYS A 22 33.549 19.758 27.615 1.00 0.00 N ATOM 316 CA LYS A 22 35.009 19.837 27.742 1.00 0.00 C ATOM 317 C LYS A 22 35.599 18.684 28.555 1.00 0.00 C ATOM 318 O LYS A 22 36.754 18.322 28.350 1.00 0.00 O ATOM 319 CB LYS A 22 35.364 21.208 28.337 1.00 0.00 C ATOM 320 CG LYS A 22 36.829 21.595 28.146 1.00 0.00 C ATOM 321 CD LYS A 22 37.137 21.820 26.662 1.00 0.00 C ATOM 322 CE LYS A 22 38.508 22.456 26.528 1.00 0.00 C ATOM 323 NZ LYS A 22 39.615 21.476 26.659 1.00 0.00 N1+ ATOM 0 H LYS A 22 33.070 20.519 28.097 1.00 0.00 H new ATOM 0 HA LYS A 22 35.458 19.736 26.754 1.00 0.00 H new ATOM 0 HB2 LYS A 22 34.733 21.969 27.878 1.00 0.00 H new ATOM 0 HB3 LYS A 22 35.134 21.203 29.402 1.00 0.00 H new ATOM 0 HG2 LYS A 22 37.048 22.502 28.710 1.00 0.00 H new ATOM 0 HG3 LYS A 22 37.473 20.810 28.542 1.00 0.00 H new ATOM 0 HD2 LYS A 22 37.109 20.872 26.125 1.00 0.00 H new ATOM 0 HD3 LYS A 22 36.379 22.463 26.214 1.00 0.00 H new ATOM 0 HE2 LYS A 22 38.580 22.951 25.559 1.00 0.00 H new ATOM 0 HE3 LYS A 22 38.621 23.228 27.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 40.521 21.946 26.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 39.629 21.096 27.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 39.472 20.698 25.983 1.00 0.00 H new ATOM 337 N ALA A 23 34.788 18.012 29.377 1.00 0.00 N ATOM 338 CA ALA A 23 35.163 16.749 30.021 1.00 0.00 C ATOM 339 C ALA A 23 35.386 15.609 28.995 1.00 0.00 C ATOM 340 O ALA A 23 36.050 14.621 29.305 1.00 0.00 O ATOM 341 CB ALA A 23 34.082 16.401 31.046 1.00 0.00 C ATOM 0 H ALA A 23 33.849 18.330 29.616 1.00 0.00 H new ATOM 0 HA ALA A 23 36.122 16.868 30.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 34.337 15.464 31.540 1.00 0.00 H new ATOM 0 HB2 ALA A 23 34.015 17.196 31.788 1.00 0.00 H new ATOM 0 HB3 ALA A 23 33.122 16.295 30.541 1.00 0.00 H new ATOM 347 N GLU A 24 34.878 15.759 27.764 1.00 0.00 N ATOM 348 CA GLU A 24 35.158 14.922 26.580 1.00 0.00 C ATOM 349 C GLU A 24 35.982 15.687 25.513 1.00 0.00 C ATOM 350 O GLU A 24 36.057 15.271 24.358 1.00 0.00 O ATOM 351 CB GLU A 24 33.850 14.350 25.997 1.00 0.00 C ATOM 352 CG GLU A 24 33.023 13.559 27.024 1.00 0.00 C ATOM 353 CD GLU A 24 31.977 12.673 26.326 1.00 0.00 C ATOM 354 OE1 GLU A 24 30.759 12.985 26.356 1.00 0.00 O ATOM 355 OE2 GLU A 24 32.364 11.639 25.722 1.00 0.00 O1- ATOM 0 H GLU A 24 34.222 16.510 27.551 1.00 0.00 H new ATOM 0 HA GLU A 24 35.774 14.083 26.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.245 15.169 25.607 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.089 13.700 25.155 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.685 12.939 27.629 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.524 14.250 27.704 1.00 0.00 H new ATOM 362 N ASP A 25 36.583 16.822 25.897 1.00 0.00 N ATOM 363 CA ASP A 25 37.313 17.785 25.056 1.00 0.00 C ATOM 364 C ASP A 25 36.511 18.361 23.868 1.00 0.00 C ATOM 365 O ASP A 25 37.078 18.782 22.860 1.00 0.00 O ATOM 366 CB ASP A 25 38.690 17.223 24.688 1.00 0.00 C ATOM 367 CG ASP A 25 39.697 18.292 24.257 1.00 0.00 C ATOM 368 OD1 ASP A 25 40.409 18.033 23.261 1.00 0.00 O ATOM 369 OD2 ASP A 25 39.882 19.314 24.963 1.00 0.00 O1- ATOM 0 H ASP A 25 36.572 17.113 26.874 1.00 0.00 H new ATOM 0 HA ASP A 25 37.473 18.678 25.660 1.00 0.00 H new ATOM 0 HB2 ASP A 25 39.092 16.682 25.545 1.00 0.00 H new ATOM 0 HB3 ASP A 25 38.573 16.500 23.881 1.00 0.00 H new ATOM 374 N LYS A 26 35.177 18.401 23.990 1.00 0.00 N ATOM 375 CA LYS A 26 34.230 18.806 22.942 1.00 0.00 C ATOM 376 C LYS A 26 33.539 20.140 23.201 1.00 0.00 C ATOM 377 O LYS A 26 33.429 20.608 24.333 1.00 0.00 O ATOM 378 CB LYS A 26 33.166 17.714 22.760 1.00 0.00 C ATOM 379 CG LYS A 26 33.700 16.456 22.053 1.00 0.00 C ATOM 380 CD LYS A 26 32.609 15.917 21.130 1.00 0.00 C ATOM 381 CE LYS A 26 33.091 14.756 20.262 1.00 0.00 C ATOM 382 NZ LYS A 26 32.043 14.382 19.285 1.00 0.00 N1+ ATOM 0 H LYS A 26 34.709 18.141 24.858 1.00 0.00 H new ATOM 0 HA LYS A 26 34.824 18.938 22.037 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.772 17.434 23.737 1.00 0.00 H new ATOM 0 HB3 LYS A 26 32.334 18.120 22.185 1.00 0.00 H new ATOM 0 HG2 LYS A 26 34.596 16.695 21.480 1.00 0.00 H new ATOM 0 HG3 LYS A 26 33.983 15.701 22.786 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.761 15.589 21.730 1.00 0.00 H new ATOM 0 HD3 LYS A 26 32.252 16.722 20.487 1.00 0.00 H new ATOM 0 HE2 LYS A 26 34.004 15.038 19.738 1.00 0.00 H new ATOM 0 HE3 LYS A 26 33.336 13.899 20.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 32.484 13.927 18.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 31.374 13.721 19.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 31.534 15.235 18.978 1.00 0.00 H new ATOM 396 N GLU A 27 33.029 20.721 22.120 1.00 0.00 N ATOM 397 CA GLU A 27 32.086 21.835 22.153 1.00 0.00 C ATOM 398 C GLU A 27 30.736 21.301 22.668 1.00 0.00 C ATOM 399 O GLU A 27 30.412 20.127 22.480 1.00 0.00 O ATOM 400 CB GLU A 27 31.955 22.444 20.743 1.00 0.00 C ATOM 401 CG GLU A 27 33.181 23.256 20.270 1.00 0.00 C ATOM 402 CD GLU A 27 33.214 24.687 20.834 1.00 0.00 C ATOM 403 OE1 GLU A 27 32.847 24.882 22.013 1.00 0.00 O ATOM 404 OE2 GLU A 27 33.568 25.656 20.110 1.00 0.00 O1- ATOM 0 H GLU A 27 33.265 20.424 21.173 1.00 0.00 H new ATOM 0 HA GLU A 27 32.434 22.624 22.819 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.773 21.639 20.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 31.078 23.092 20.723 1.00 0.00 H new ATOM 0 HG2 GLU A 27 34.091 22.734 20.567 1.00 0.00 H new ATOM 0 HG3 GLU A 27 33.181 23.301 19.181 1.00 0.00 H new ATOM 411 N GLY A 28 29.958 22.143 23.342 1.00 0.00 N ATOM 412 CA GLY A 28 28.678 21.782 23.973 1.00 0.00 C ATOM 413 C GLY A 28 27.553 22.793 23.765 1.00 0.00 C ATOM 414 O GLY A 28 27.787 24.001 23.822 1.00 0.00 O ATOM 0 H GLY A 28 30.201 23.125 23.472 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.356 20.816 23.583 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.840 21.655 25.043 1.00 0.00 H new ATOM 418 N ILE A 29 26.330 22.293 23.567 1.00 0.00 N ATOM 419 CA ILE A 29 25.160 23.052 23.123 1.00 0.00 C ATOM 420 C ILE A 29 23.914 22.725 23.959 1.00 0.00 C ATOM 421 O ILE A 29 23.567 21.558 24.172 1.00 0.00 O ATOM 422 CB ILE A 29 24.963 22.849 21.596 1.00 0.00 C ATOM 423 CG1 ILE A 29 23.809 23.690 21.016 1.00 0.00 C ATOM 424 CG2 ILE A 29 24.903 21.382 21.140 1.00 0.00 C ATOM 425 CD1 ILE A 29 22.426 23.031 20.972 1.00 0.00 C ATOM 0 H ILE A 29 26.121 21.306 23.718 1.00 0.00 H new ATOM 0 HA ILE A 29 25.331 24.115 23.290 1.00 0.00 H new ATOM 0 HB ILE A 29 25.885 23.237 21.163 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.730 24.607 21.601 1.00 0.00 H new ATOM 0 HG13 ILE A 29 24.078 23.982 20.001 1.00 0.00 H new ATOM 0 HG21 ILE A 29 24.764 21.342 20.060 1.00 0.00 H new ATOM 0 HG22 ILE A 29 25.834 20.880 21.405 1.00 0.00 H new ATOM 0 HG23 ILE A 29 24.069 20.882 21.632 1.00 0.00 H new ATOM 0 HD11 ILE A 29 21.705 23.727 20.543 1.00 0.00 H new ATOM 0 HD12 ILE A 29 22.471 22.131 20.359 1.00 0.00 H new ATOM 0 HD13 ILE A 29 22.117 22.766 21.983 1.00 0.00 H new ATOM 437 N CYS A 30 23.217 23.770 24.414 1.00 0.00 N ATOM 438 CA CYS A 30 21.974 23.660 25.177 1.00 0.00 C ATOM 439 C CYS A 30 20.787 23.230 24.291 1.00 0.00 C ATOM 440 O CYS A 30 20.271 24.030 23.505 1.00 0.00 O ATOM 441 CB CYS A 30 21.670 25.004 25.861 1.00 0.00 C ATOM 442 SG CYS A 30 22.759 25.500 27.223 1.00 0.00 S ATOM 0 H CYS A 30 23.508 24.735 24.258 1.00 0.00 H new ATOM 0 HA CYS A 30 22.110 22.885 25.931 1.00 0.00 H new ATOM 0 HB2 CYS A 30 21.701 25.785 25.101 1.00 0.00 H new ATOM 0 HB3 CYS A 30 20.649 24.968 26.240 1.00 0.00 H new ATOM 447 N HIS A 31 20.335 21.984 24.458 1.00 0.00 N ATOM 448 CA HIS A 31 19.097 21.411 23.902 1.00 0.00 C ATOM 449 C HIS A 31 17.963 21.503 24.935 1.00 0.00 C ATOM 450 O HIS A 31 17.786 20.613 25.772 1.00 0.00 O ATOM 451 CB HIS A 31 19.331 19.949 23.476 1.00 0.00 C ATOM 452 CG HIS A 31 19.854 19.782 22.073 1.00 0.00 C ATOM 453 ND1 HIS A 31 19.080 19.413 20.970 1.00 0.00 N ATOM 454 CD2 HIS A 31 21.152 19.901 21.681 1.00 0.00 C ATOM 455 CE1 HIS A 31 19.931 19.324 19.934 1.00 0.00 C ATOM 456 NE2 HIS A 31 21.181 19.612 20.334 1.00 0.00 N ATOM 0 H HIS A 31 20.851 21.305 25.017 1.00 0.00 H new ATOM 0 HA HIS A 31 18.807 21.982 23.020 1.00 0.00 H new ATOM 0 HB2 HIS A 31 20.036 19.490 24.170 1.00 0.00 H new ATOM 0 HB3 HIS A 31 18.392 19.403 23.567 1.00 0.00 H new ATOM 0 HD2 HIS A 31 21.993 20.169 22.303 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.651 19.059 18.925 1.00 0.00 H new ATOM 0 HE2 HIS A 31 22.011 19.616 19.741 1.00 0.00 H new ATOM 464 N GLY A 32 17.196 22.593 24.885 1.00 0.00 N ATOM 465 CA GLY A 32 16.092 22.877 25.806 1.00 0.00 C ATOM 466 C GLY A 32 16.582 23.112 27.232 1.00 0.00 C ATOM 467 O GLY A 32 17.210 24.137 27.507 1.00 0.00 O ATOM 0 H GLY A 32 17.328 23.323 24.185 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.549 23.756 25.460 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.389 22.044 25.797 1.00 0.00 H new ATOM 471 N THR A 33 16.305 22.159 28.123 1.00 0.00 N ATOM 472 CA THR A 33 16.796 22.105 29.518 1.00 0.00 C ATOM 473 C THR A 33 17.822 20.986 29.756 1.00 0.00 C ATOM 474 O THR A 33 17.951 20.474 30.867 1.00 0.00 O ATOM 475 CB THR A 33 15.644 22.101 30.547 1.00 0.00 C ATOM 476 OG1 THR A 33 14.707 21.064 30.348 1.00 0.00 O ATOM 477 CG2 THR A 33 14.870 23.411 30.469 1.00 0.00 C ATOM 0 H THR A 33 15.707 21.366 27.891 1.00 0.00 H new ATOM 0 HA THR A 33 17.344 23.033 29.681 1.00 0.00 H new ATOM 0 HB THR A 33 16.124 21.957 31.515 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.008 21.119 31.033 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.060 23.399 31.198 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.540 24.243 30.685 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.455 23.530 29.468 1.00 0.00 H new ATOM 485 N LYS A 34 18.551 20.583 28.706 1.00 0.00 N ATOM 486 CA LYS A 34 19.663 19.610 28.717 1.00 0.00 C ATOM 487 C LYS A 34 20.822 20.052 27.808 1.00 0.00 C ATOM 488 O LYS A 34 20.710 21.042 27.089 1.00 0.00 O ATOM 489 CB LYS A 34 19.138 18.215 28.303 1.00 0.00 C ATOM 490 CG LYS A 34 18.116 17.621 29.285 1.00 0.00 C ATOM 491 CD LYS A 34 18.751 17.231 30.631 1.00 0.00 C ATOM 492 CE LYS A 34 17.671 16.903 31.663 1.00 0.00 C ATOM 493 NZ LYS A 34 17.154 18.141 32.286 1.00 0.00 N1+ ATOM 0 H LYS A 34 18.373 20.946 27.769 1.00 0.00 H new ATOM 0 HA LYS A 34 20.059 19.558 29.731 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.680 18.287 27.316 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.982 17.531 28.214 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.320 18.345 29.459 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.654 16.742 28.836 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.404 16.369 30.494 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.373 18.048 30.996 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.855 16.362 31.184 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.081 16.247 32.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.151 18.014 32.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.697 18.349 33.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.250 18.932 31.618 1.00 0.00 H new ATOM 507 N CYS A 35 21.934 19.312 27.827 1.00 0.00 N ATOM 508 CA CYS A 35 23.106 19.544 26.976 1.00 0.00 C ATOM 509 C CYS A 35 23.386 18.363 26.029 1.00 0.00 C ATOM 510 O CYS A 35 22.995 17.222 26.300 1.00 0.00 O ATOM 511 CB CYS A 35 24.325 19.826 27.860 1.00 0.00 C ATOM 512 SG CYS A 35 25.759 20.525 26.986 1.00 0.00 S ATOM 0 H CYS A 35 22.048 18.513 28.451 1.00 0.00 H new ATOM 0 HA CYS A 35 22.898 20.408 26.344 1.00 0.00 H new ATOM 0 HB2 CYS A 35 24.030 20.514 28.652 1.00 0.00 H new ATOM 0 HB3 CYS A 35 24.629 18.897 28.342 1.00 0.00 H new ATOM 517 N LYS A 36 24.102 18.639 24.935 1.00 0.00 N ATOM 518 CA LYS A 36 24.642 17.704 23.953 1.00 0.00 C ATOM 519 C LYS A 36 25.992 18.252 23.484 1.00 0.00 C ATOM 520 O LYS A 36 26.205 19.461 23.529 1.00 0.00 O ATOM 521 CB LYS A 36 23.664 17.615 22.770 1.00 0.00 C ATOM 522 CG LYS A 36 23.035 16.226 22.609 1.00 0.00 C ATOM 523 CD LYS A 36 22.537 15.948 21.183 1.00 0.00 C ATOM 524 CE LYS A 36 23.729 15.914 20.220 1.00 0.00 C ATOM 525 NZ LYS A 36 23.372 15.411 18.882 1.00 0.00 N1+ ATOM 0 H LYS A 36 24.336 19.603 24.697 1.00 0.00 H new ATOM 0 HA LYS A 36 24.773 16.709 24.379 1.00 0.00 H new ATOM 0 HB2 LYS A 36 22.872 18.352 22.905 1.00 0.00 H new ATOM 0 HB3 LYS A 36 24.190 17.877 21.852 1.00 0.00 H new ATOM 0 HG2 LYS A 36 23.768 15.468 22.885 1.00 0.00 H new ATOM 0 HG3 LYS A 36 22.200 16.130 23.303 1.00 0.00 H new ATOM 0 HD2 LYS A 36 22.004 14.998 21.152 1.00 0.00 H new ATOM 0 HD3 LYS A 36 21.831 16.720 20.877 1.00 0.00 H new ATOM 0 HE2 LYS A 36 24.143 16.918 20.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 24.512 15.285 20.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 24.216 15.410 18.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 23.003 14.442 18.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 22.645 16.025 18.463 1.00 0.00 H new ATOM 539 N CYS A 37 26.873 17.388 22.998 1.00 0.00 N ATOM 540 CA CYS A 37 28.201 17.774 22.512 1.00 0.00 C ATOM 541 C CYS A 37 28.345 17.726 20.977 1.00 0.00 C ATOM 542 O CYS A 37 27.717 16.918 20.286 1.00 0.00 O ATOM 543 CB CYS A 37 29.291 16.976 23.238 1.00 0.00 C ATOM 544 SG CYS A 37 29.152 16.928 25.049 1.00 0.00 S ATOM 0 H CYS A 37 26.689 16.387 22.927 1.00 0.00 H new ATOM 0 HA CYS A 37 28.333 18.828 22.758 1.00 0.00 H new ATOM 0 HB2 CYS A 37 29.278 15.953 22.863 1.00 0.00 H new ATOM 0 HB3 CYS A 37 30.261 17.399 22.977 1.00 0.00 H new ATOM 549 N GLY A 38 29.194 18.607 20.451 1.00 0.00 N ATOM 550 CA GLY A 38 29.472 18.823 19.032 1.00 0.00 C ATOM 551 C GLY A 38 30.692 18.059 18.520 1.00 0.00 C ATOM 552 O GLY A 38 30.737 16.827 18.574 1.00 0.00 O ATOM 0 H GLY A 38 29.742 19.230 21.044 1.00 0.00 H new ATOM 0 HA2 GLY A 38 28.599 18.526 18.451 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.623 19.889 18.859 1.00 0.00 H new ATOM 556 N VAL A 39 31.706 18.792 18.065 1.00 0.00 N ATOM 557 CA VAL A 39 33.044 18.306 17.721 1.00 0.00 C ATOM 558 C VAL A 39 34.083 18.723 18.778 1.00 0.00 C ATOM 559 O VAL A 39 33.802 19.583 19.615 1.00 0.00 O ATOM 560 CB VAL A 39 33.440 18.744 16.293 1.00 0.00 C ATOM 561 CG1 VAL A 39 32.503 18.111 15.260 1.00 0.00 C ATOM 562 CG2 VAL A 39 33.481 20.261 16.088 1.00 0.00 C ATOM 0 H VAL A 39 31.613 19.797 17.918 1.00 0.00 H new ATOM 0 HA VAL A 39 33.023 17.216 17.724 1.00 0.00 H new ATOM 0 HB VAL A 39 34.460 18.388 16.153 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.796 18.430 14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.567 17.025 15.328 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.478 18.427 15.456 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.767 20.482 15.060 1.00 0.00 H new ATOM 0 HG22 VAL A 39 32.496 20.682 16.289 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.209 20.701 16.770 1.00 0.00 H new ATOM 572 N PRO A 40 35.273 18.097 18.796 1.00 0.00 N ATOM 573 CA PRO A 40 36.418 18.518 19.602 1.00 0.00 C ATOM 574 C PRO A 40 36.741 20.017 19.488 1.00 0.00 C ATOM 575 O PRO A 40 36.660 20.614 18.411 1.00 0.00 O ATOM 576 CB PRO A 40 37.592 17.658 19.130 1.00 0.00 C ATOM 577 CG PRO A 40 36.905 16.366 18.693 1.00 0.00 C ATOM 578 CD PRO A 40 35.583 16.861 18.106 1.00 0.00 C ATOM 0 HA PRO A 40 36.198 18.377 20.660 1.00 0.00 H new ATOM 0 HB2 PRO A 40 38.133 18.127 18.308 1.00 0.00 H new ATOM 0 HB3 PRO A 40 38.313 17.483 19.928 1.00 0.00 H new ATOM 0 HG2 PRO A 40 37.496 15.824 17.955 1.00 0.00 H new ATOM 0 HG3 PRO A 40 36.746 15.690 19.533 1.00 0.00 H new ATOM 0 HD2 PRO A 40 35.671 17.026 17.032 1.00 0.00 H new ATOM 0 HD3 PRO A 40 34.792 16.125 18.251 1.00 0.00 H new ATOM 586 N ILE A 41 37.154 20.630 20.600 1.00 0.00 N ATOM 587 CA ILE A 41 37.419 22.081 20.711 1.00 0.00 C ATOM 588 C ILE A 41 38.596 22.592 19.873 1.00 0.00 C ATOM 589 O ILE A 41 38.724 23.798 19.668 1.00 0.00 O ATOM 590 CB ILE A 41 37.606 22.492 22.187 1.00 0.00 C ATOM 591 CG1 ILE A 41 38.764 21.762 22.905 1.00 0.00 C ATOM 592 CG2 ILE A 41 36.299 22.285 22.967 1.00 0.00 C ATOM 593 CD1 ILE A 41 40.096 22.517 22.839 1.00 0.00 C ATOM 0 H ILE A 41 37.319 20.127 21.472 1.00 0.00 H new ATOM 0 HA ILE A 41 36.532 22.557 20.293 1.00 0.00 H new ATOM 0 HB ILE A 41 37.876 23.548 22.168 1.00 0.00 H new ATOM 0 HG12 ILE A 41 38.494 21.608 23.950 1.00 0.00 H new ATOM 0 HG13 ILE A 41 38.892 20.775 22.460 1.00 0.00 H new ATOM 0 HG21 ILE A 41 36.445 22.579 24.006 1.00 0.00 H new ATOM 0 HG22 ILE A 41 35.511 22.895 22.525 1.00 0.00 H new ATOM 0 HG23 ILE A 41 36.012 21.234 22.924 1.00 0.00 H new ATOM 0 HD11 ILE A 41 40.863 21.947 23.363 1.00 0.00 H new ATOM 0 HD12 ILE A 41 40.389 22.648 21.797 1.00 0.00 H new ATOM 0 HD13 ILE A 41 39.984 23.494 23.310 1.00 0.00 H new ATOM 605 N SER A 42 39.447 21.695 19.375 1.00 0.00 N ATOM 606 CA SER A 42 40.704 22.011 18.684 1.00 0.00 C ATOM 607 C SER A 42 40.526 23.016 17.540 1.00 0.00 C ATOM 608 O SER A 42 39.690 22.827 16.649 1.00 0.00 O ATOM 609 CB SER A 42 41.387 20.720 18.201 1.00 0.00 C ATOM 610 OG SER A 42 40.475 19.812 17.595 1.00 0.00 O ATOM 0 H SER A 42 39.277 20.692 19.442 1.00 0.00 H new ATOM 0 HA SER A 42 41.353 22.501 19.409 1.00 0.00 H new ATOM 0 HB2 SER A 42 42.170 20.973 17.487 1.00 0.00 H new ATOM 0 HB3 SER A 42 41.872 20.232 19.046 1.00 0.00 H new ATOM 0 HG SER A 42 40.957 19.010 17.304 1.00 0.00 H new ATOM 616 N TYR A 43 41.360 24.061 17.544 1.00 0.00 N ATOM 617 CA TYR A 43 41.325 25.182 16.594 1.00 0.00 C ATOM 618 C TYR A 43 42.011 24.870 15.248 1.00 0.00 C ATOM 619 O TYR A 43 41.805 25.604 14.275 1.00 0.00 O ATOM 620 CB TYR A 43 41.973 26.412 17.248 1.00 0.00 C ATOM 621 CG TYR A 43 41.336 26.848 18.558 1.00 0.00 C ATOM 622 CD1 TYR A 43 41.967 26.575 19.789 1.00 0.00 C ATOM 623 CD2 TYR A 43 40.100 27.520 18.546 1.00 0.00 C ATOM 624 CE1 TYR A 43 41.355 26.958 21.001 1.00 0.00 C ATOM 625 CE2 TYR A 43 39.475 27.887 19.755 1.00 0.00 C ATOM 626 CZ TYR A 43 40.098 27.603 20.986 1.00 0.00 C ATOM 627 OH TYR A 43 39.489 27.957 22.147 1.00 0.00 O ATOM 0 H TYR A 43 42.106 24.154 18.233 1.00 0.00 H new ATOM 0 HA TYR A 43 40.278 25.375 16.359 1.00 0.00 H new ATOM 0 HB2 TYR A 43 43.027 26.198 17.426 1.00 0.00 H new ATOM 0 HB3 TYR A 43 41.931 27.244 16.545 1.00 0.00 H new ATOM 0 HD1 TYR A 43 42.922 26.071 19.804 1.00 0.00 H new ATOM 0 HD2 TYR A 43 39.627 27.756 17.604 1.00 0.00 H new ATOM 0 HE1 TYR A 43 41.848 26.758 21.941 1.00 0.00 H new ATOM 0 HE2 TYR A 43 38.518 28.386 19.737 1.00 0.00 H new ATOM 0 HH TYR A 43 38.633 28.391 21.948 1.00 0.00 H new ATOM 637 N LEU A 44 42.803 23.788 15.196 1.00 0.00 N ATOM 638 CA LEU A 44 43.473 23.251 14.006 1.00 0.00 C ATOM 639 C LEU A 44 43.279 21.731 13.927 1.00 0.00 C ATOM 640 O LEU A 44 42.300 21.321 13.262 1.00 0.00 O ATOM 641 CB LEU A 44 44.949 23.723 14.027 1.00 0.00 C ATOM 642 CG LEU A 44 45.803 23.269 12.828 1.00 0.00 C ATOM 643 CD1 LEU A 44 45.252 23.784 11.500 1.00 0.00 C ATOM 644 CD2 LEU A 44 47.225 23.797 13.005 1.00 0.00 C ATOM 645 OXT LEU A 44 44.029 20.985 14.607 1.00 0.00 O1- ATOM 0 H LEU A 44 43.003 23.235 16.030 1.00 0.00 H new ATOM 0 HA LEU A 44 43.033 23.633 13.085 1.00 0.00 H new ATOM 0 HB2 LEU A 44 44.964 24.812 14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 44 45.416 23.360 14.943 1.00 0.00 H new ATOM 0 HG LEU A 44 45.785 22.179 12.800 1.00 0.00 H new ATOM 0 HD11 LEU A 44 45.887 23.439 10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 44 44.239 23.408 11.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 45.236 24.874 11.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 47.838 23.481 12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 47.206 24.886 13.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 47.648 23.402 13.929 1.00 0.00 H new TER 657 LEU A 44