USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 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: B 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 19 HIS : no HE2:sc= 0.0571 K(o=0.057,f=-0.84) USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 19 HIS : no HE2:sc= 0.0716 K(o=0.072,f=-0.83) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0634 (180deg=0) USER MOD Single : A 2 SER OG : rot 109:sc= 1.36 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.205 (180deg=-0.61) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.067 (180deg=-0.406) USER MOD Single : A 17 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.5 K(o=-1.5,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -0.461 (180deg=-2.3!) USER MOD Single : B 1 GLY N :NH3+ -107:sc= 0.0721 (180deg=0) USER MOD Single : B 2 SER OG : rot 107:sc= 1.34 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 9 LYS NZ :NH3+ 165:sc= -0.217 (180deg=-0.619) USER MOD Single : B 16 LYS NZ :NH3+ -159:sc= -0.0632 (180deg=-0.401) USER MOD Single : B 17 ASN : amide:sc= -0.2 K(o=-0.2,f=-2) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -1.48 K(o=-1.5,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -130:sc= -0.467 (180deg=-2.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.008 2.909 -3.609 1.00 0.00 N ATOM 2 CA GLY A 1 24.178 3.502 -2.536 1.00 0.00 C ATOM 3 C GLY A 1 22.993 2.630 -2.191 1.00 0.00 C ATOM 4 O GLY A 1 22.597 1.768 -2.981 1.00 0.00 O ATOM 0 H1 GLY A 1 25.910 2.580 -3.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.504 2.105 -4.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.195 3.625 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.789 3.652 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.826 4.484 -2.851 1.00 0.00 H new ATOM 10 N SER A 2 22.413 2.853 -1.026 1.00 0.00 N ATOM 11 CA SER A 2 21.283 2.061 -0.582 1.00 0.00 C ATOM 12 C SER A 2 20.026 2.917 -0.433 1.00 0.00 C ATOM 13 O SER A 2 19.023 2.685 -1.106 1.00 0.00 O ATOM 14 CB SER A 2 21.630 1.369 0.738 1.00 0.00 C ATOM 15 OG SER A 2 22.284 2.265 1.620 1.00 0.00 O ATOM 0 H SER A 2 22.707 3.577 -0.370 1.00 0.00 H new ATOM 0 HA SER A 2 21.071 1.305 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.721 0.991 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.271 0.509 0.545 1.00 0.00 H new ATOM 0 HG SER A 2 21.680 2.499 2.356 1.00 0.00 H new ATOM 21 N MET A 3 20.094 3.926 0.423 1.00 0.00 N ATOM 22 CA MET A 3 18.927 4.741 0.736 1.00 0.00 C ATOM 23 C MET A 3 18.532 5.642 -0.429 1.00 0.00 C ATOM 24 O MET A 3 17.363 6.003 -0.567 1.00 0.00 O ATOM 25 CB MET A 3 19.176 5.594 1.986 1.00 0.00 C ATOM 26 CG MET A 3 19.121 4.818 3.297 1.00 0.00 C ATOM 27 SD MET A 3 20.435 3.594 3.461 1.00 0.00 S ATOM 28 CE MET A 3 20.045 2.891 5.061 1.00 0.00 C ATOM 0 H MET A 3 20.945 4.201 0.914 1.00 0.00 H new ATOM 0 HA MET A 3 18.103 4.053 0.928 1.00 0.00 H new ATOM 0 HB2 MET A 3 20.154 6.068 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.436 6.393 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 3 19.183 5.520 4.129 1.00 0.00 H new ATOM 0 HG3 MET A 3 18.156 4.317 3.374 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.771 2.116 5.305 1.00 0.00 H new ATOM 0 HE2 MET A 3 20.080 3.672 5.820 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.046 2.456 5.034 1.00 0.00 H new ATOM 38 N LYS A 4 19.497 5.990 -1.270 1.00 0.00 N ATOM 39 CA LYS A 4 19.259 6.935 -2.357 1.00 0.00 C ATOM 40 C LYS A 4 18.160 6.448 -3.302 1.00 0.00 C ATOM 41 O LYS A 4 17.199 7.164 -3.568 1.00 0.00 O ATOM 42 CB LYS A 4 20.550 7.193 -3.138 1.00 0.00 C ATOM 43 CG LYS A 4 20.404 8.259 -4.214 1.00 0.00 C ATOM 44 CD LYS A 4 21.722 8.540 -4.917 1.00 0.00 C ATOM 45 CE LYS A 4 22.238 7.319 -5.660 1.00 0.00 C ATOM 46 NZ LYS A 4 23.514 7.598 -6.366 1.00 0.00 N ATOM 0 H LYS A 4 20.451 5.633 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 4 18.922 7.869 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.333 7.495 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.877 6.262 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.664 7.937 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.029 9.179 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.591 9.364 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.463 8.860 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.385 6.500 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.489 6.989 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.832 6.740 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.369 8.362 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.236 7.888 -5.676 1.00 0.00 H new ATOM 60 N GLN A 5 18.294 5.231 -3.803 1.00 0.00 N ATOM 61 CA GLN A 5 17.317 4.699 -4.744 1.00 0.00 C ATOM 62 C GLN A 5 16.293 3.801 -4.054 1.00 0.00 C ATOM 63 O GLN A 5 15.091 3.910 -4.310 1.00 0.00 O ATOM 64 CB GLN A 5 18.018 3.930 -5.863 1.00 0.00 C ATOM 65 CG GLN A 5 18.952 4.794 -6.695 1.00 0.00 C ATOM 66 CD GLN A 5 19.665 4.010 -7.776 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.932 2.819 -7.620 1.00 0.00 O ATOM 68 NE2 GLN A 5 19.982 4.671 -8.878 1.00 0.00 N ATOM 0 H GLN A 5 19.061 4.597 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 5 16.782 5.547 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.586 3.108 -5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.266 3.487 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.381 5.601 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.691 5.258 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.742 5.658 -8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.466 4.193 -9.638 1.00 0.00 H new ATOM 77 N LEU A 6 16.763 2.926 -3.172 1.00 0.00 N ATOM 78 CA LEU A 6 15.896 1.927 -2.557 1.00 0.00 C ATOM 79 C LEU A 6 14.882 2.559 -1.605 1.00 0.00 C ATOM 80 O LEU A 6 13.698 2.236 -1.661 1.00 0.00 O ATOM 81 CB LEU A 6 16.711 0.857 -1.817 1.00 0.00 C ATOM 82 CG LEU A 6 17.437 -0.181 -2.689 1.00 0.00 C ATOM 83 CD1 LEU A 6 16.459 -0.889 -3.615 1.00 0.00 C ATOM 84 CD2 LEU A 6 18.565 0.456 -3.489 1.00 0.00 C ATOM 0 H LEU A 6 17.736 2.888 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 6 15.348 1.450 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.453 1.361 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.041 0.325 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 6 17.878 -0.921 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.996 -1.618 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.700 -1.399 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.980 -0.158 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 6 19.057 -0.305 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.158 1.230 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 6 19.289 0.901 -2.806 1.00 0.00 H new ATOM 96 N GLU A 7 15.333 3.469 -0.741 1.00 0.00 N ATOM 97 CA GLU A 7 14.446 4.079 0.237 1.00 0.00 C ATOM 98 C GLU A 7 13.383 4.933 -0.449 1.00 0.00 C ATOM 99 O GLU A 7 12.280 5.100 0.068 1.00 0.00 O ATOM 100 CB GLU A 7 15.237 4.925 1.231 1.00 0.00 C ATOM 101 CG GLU A 7 14.436 5.293 2.459 1.00 0.00 C ATOM 102 CD GLU A 7 15.200 6.164 3.437 1.00 0.00 C ATOM 103 OE1 GLU A 7 15.882 5.603 4.320 1.00 0.00 O ATOM 104 OE2 GLU A 7 15.115 7.404 3.319 1.00 0.00 O ATOM 0 H GLU A 7 16.299 3.794 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 7 13.947 3.277 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.129 4.379 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.574 5.836 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.530 5.815 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.121 4.381 2.965 1.00 0.00 H new ATOM 111 N ASP A 8 13.716 5.466 -1.619 1.00 0.00 N ATOM 112 CA ASP A 8 12.755 6.236 -2.399 1.00 0.00 C ATOM 113 C ASP A 8 11.684 5.321 -2.971 1.00 0.00 C ATOM 114 O ASP A 8 10.528 5.711 -3.100 1.00 0.00 O ATOM 115 CB ASP A 8 13.446 7.013 -3.521 1.00 0.00 C ATOM 116 CG ASP A 8 13.967 8.359 -3.052 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.279 9.375 -3.282 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.057 8.396 -2.446 1.00 0.00 O ATOM 0 H ASP A 8 14.638 5.380 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 8 12.283 6.958 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.274 6.422 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.745 7.163 -4.342 1.00 0.00 H new ATOM 123 N LYS A 9 12.072 4.094 -3.293 1.00 0.00 N ATOM 124 CA LYS A 9 11.130 3.095 -3.776 1.00 0.00 C ATOM 125 C LYS A 9 10.191 2.697 -2.640 1.00 0.00 C ATOM 126 O LYS A 9 8.992 2.493 -2.847 1.00 0.00 O ATOM 127 CB LYS A 9 11.884 1.873 -4.312 1.00 0.00 C ATOM 128 CG LYS A 9 11.039 0.950 -5.178 1.00 0.00 C ATOM 129 CD LYS A 9 11.880 -0.181 -5.753 1.00 0.00 C ATOM 130 CE LYS A 9 11.129 -0.963 -6.821 1.00 0.00 C ATOM 131 NZ LYS A 9 9.939 -1.670 -6.279 1.00 0.00 N ATOM 0 H LYS A 9 13.036 3.767 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 9 10.541 3.513 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.741 2.215 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.277 1.304 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.223 0.536 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.587 1.520 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.795 0.229 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.177 -0.856 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.814 -0.282 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.803 -1.689 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.318 -1.956 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.246 -2.514 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.419 -1.035 -5.640 1.00 0.00 H new ATOM 145 N VAL A 10 10.754 2.611 -1.436 1.00 0.00 N ATOM 146 CA VAL A 10 9.971 2.371 -0.228 1.00 0.00 C ATOM 147 C VAL A 10 9.004 3.523 0.001 1.00 0.00 C ATOM 148 O VAL A 10 7.813 3.315 0.216 1.00 0.00 O ATOM 149 CB VAL A 10 10.873 2.236 1.019 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.046 1.903 2.248 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.952 1.192 0.803 1.00 0.00 C ATOM 0 H VAL A 10 11.756 2.705 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 10 9.428 1.437 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 10 11.362 3.196 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.702 1.813 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.320 2.697 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.522 0.960 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.571 1.119 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.489 0.226 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.572 1.480 -0.046 1.00 0.00 H new ATOM 161 N GLU A 11 9.535 4.740 -0.060 1.00 0.00 N ATOM 162 CA GLU A 11 8.747 5.954 0.125 1.00 0.00 C ATOM 163 C GLU A 11 7.595 6.013 -0.876 1.00 0.00 C ATOM 164 O GLU A 11 6.483 6.412 -0.532 1.00 0.00 O ATOM 165 CB GLU A 11 9.652 7.182 -0.027 1.00 0.00 C ATOM 166 CG GLU A 11 8.935 8.508 0.149 1.00 0.00 C ATOM 167 CD GLU A 11 9.877 9.696 0.085 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.315 10.044 -1.030 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.176 10.274 1.151 1.00 0.00 O ATOM 0 H GLU A 11 10.524 4.913 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 11 8.319 5.945 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.458 7.118 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.114 7.159 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.174 8.611 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.417 8.512 1.108 1.00 0.00 H new ATOM 176 N GLU A 12 7.871 5.618 -2.115 1.00 0.00 N ATOM 177 CA GLU A 12 6.839 5.551 -3.147 1.00 0.00 C ATOM 178 C GLU A 12 5.722 4.575 -2.765 1.00 0.00 C ATOM 179 O GLU A 12 4.543 4.916 -2.835 1.00 0.00 O ATOM 180 CB GLU A 12 7.447 5.156 -4.493 1.00 0.00 C ATOM 181 CG GLU A 12 8.328 6.235 -5.098 1.00 0.00 C ATOM 182 CD GLU A 12 8.952 5.817 -6.414 1.00 0.00 C ATOM 183 OE1 GLU A 12 8.337 6.072 -7.470 1.00 0.00 O ATOM 184 OE2 GLU A 12 10.058 5.237 -6.388 1.00 0.00 O ATOM 0 H GLU A 12 8.800 5.339 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 12 6.401 6.545 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.035 4.247 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.644 4.920 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.735 7.137 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.118 6.490 -4.392 1.00 0.00 H new ATOM 191 N LEU A 13 6.084 3.359 -2.378 1.00 0.00 N ATOM 192 CA LEU A 13 5.095 2.374 -1.955 1.00 0.00 C ATOM 193 C LEU A 13 4.455 2.715 -0.618 1.00 0.00 C ATOM 194 O LEU A 13 3.307 2.356 -0.378 1.00 0.00 O ATOM 195 CB LEU A 13 5.717 0.990 -1.930 1.00 0.00 C ATOM 196 CG LEU A 13 5.665 0.301 -3.282 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.901 -0.552 -3.504 1.00 0.00 C ATOM 198 CD2 LEU A 13 4.412 -0.550 -3.392 1.00 0.00 C ATOM 0 H LEU A 13 7.049 3.031 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 13 4.288 2.389 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.755 1.068 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.199 0.376 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 13 5.638 1.070 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.840 -1.035 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.790 0.078 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.963 -1.313 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.388 -1.038 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.416 -1.307 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.531 0.083 -3.281 1.00 0.00 H new ATOM 210 N LEU A 14 5.183 3.396 0.249 1.00 0.00 N ATOM 211 CA LEU A 14 4.609 3.919 1.474 1.00 0.00 C ATOM 212 C LEU A 14 3.565 4.974 1.117 1.00 0.00 C ATOM 213 O LEU A 14 2.490 5.037 1.718 1.00 0.00 O ATOM 214 CB LEU A 14 5.735 4.481 2.368 1.00 0.00 C ATOM 215 CG LEU A 14 5.332 5.066 3.729 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.747 6.460 3.580 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.358 4.148 4.456 1.00 0.00 C ATOM 0 H LEU A 14 6.175 3.600 0.126 1.00 0.00 H new ATOM 0 HA LEU A 14 4.109 3.132 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.455 3.682 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.253 5.259 1.807 1.00 0.00 H new ATOM 0 HG LEU A 14 6.237 5.145 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.472 6.846 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.487 7.119 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.862 6.417 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.091 4.589 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.459 4.020 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.826 3.177 4.620 1.00 0.00 H new ATOM 229 N SER A 15 3.888 5.785 0.118 1.00 0.00 N ATOM 230 CA SER A 15 2.954 6.758 -0.419 1.00 0.00 C ATOM 231 C SER A 15 1.735 6.054 -1.015 1.00 0.00 C ATOM 232 O SER A 15 0.596 6.460 -0.762 1.00 0.00 O ATOM 233 CB SER A 15 3.640 7.629 -1.477 1.00 0.00 C ATOM 234 OG SER A 15 2.775 8.651 -1.946 1.00 0.00 O ATOM 0 H SER A 15 4.800 5.785 -0.339 1.00 0.00 H new ATOM 0 HA SER A 15 2.618 7.402 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.539 8.077 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.957 7.006 -2.313 1.00 0.00 H new ATOM 0 HG SER A 15 3.241 9.191 -2.618 1.00 0.00 H new ATOM 240 N LYS A 16 1.962 4.997 -1.805 1.00 0.00 N ATOM 241 CA LYS A 16 0.850 4.212 -2.329 1.00 0.00 C ATOM 242 C LYS A 16 0.032 3.595 -1.196 1.00 0.00 C ATOM 243 O LYS A 16 -1.187 3.718 -1.181 1.00 0.00 O ATOM 244 CB LYS A 16 1.340 3.129 -3.293 1.00 0.00 C ATOM 245 CG LYS A 16 1.547 3.641 -4.712 1.00 0.00 C ATOM 246 CD LYS A 16 1.960 2.527 -5.661 1.00 0.00 C ATOM 247 CE LYS A 16 3.431 2.173 -5.508 1.00 0.00 C ATOM 248 NZ LYS A 16 4.317 3.288 -5.938 1.00 0.00 N ATOM 0 H LYS A 16 2.887 4.675 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 16 0.203 4.890 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.278 2.718 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.618 2.312 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.626 4.101 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.311 4.418 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.351 1.643 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.765 2.833 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.638 1.925 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.654 1.284 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.262 2.915 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.917 3.743 -6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.392 3.987 -5.172 1.00 0.00 H new ATOM 262 N ASN A 17 0.715 2.966 -0.245 1.00 0.00 N ATOM 263 CA ASN A 17 0.079 2.370 0.934 1.00 0.00 C ATOM 264 C ASN A 17 -0.839 3.372 1.638 1.00 0.00 C ATOM 265 O ASN A 17 -1.916 3.020 2.115 1.00 0.00 O ATOM 266 CB ASN A 17 1.166 1.893 1.903 1.00 0.00 C ATOM 267 CG ASN A 17 0.619 1.267 3.172 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.422 0.616 3.166 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.321 1.473 4.276 1.00 0.00 N ATOM 0 H ASN A 17 1.728 2.853 -0.266 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.532 1.527 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.801 1.167 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.800 2.739 2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.001 1.085 5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.181 2.020 4.239 1.00 0.00 H new ATOM 276 N TYR A 18 -0.409 4.621 1.692 1.00 0.00 N ATOM 277 CA TYR A 18 -1.178 5.668 2.346 1.00 0.00 C ATOM 278 C TYR A 18 -2.437 5.991 1.546 1.00 0.00 C ATOM 279 O TYR A 18 -3.554 5.877 2.051 1.00 0.00 O ATOM 280 CB TYR A 18 -0.320 6.925 2.512 1.00 0.00 C ATOM 281 CG TYR A 18 -0.989 8.016 3.317 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.598 9.098 2.694 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.011 7.958 4.703 1.00 0.00 C ATOM 284 CE1 TYR A 18 -2.206 10.095 3.434 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.619 8.949 5.447 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.216 10.014 4.810 1.00 0.00 C ATOM 287 OH TYR A 18 -2.815 11.008 5.552 1.00 0.00 O ATOM 0 H TYR A 18 0.473 4.937 1.289 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.479 5.312 3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.618 6.652 2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.069 7.315 1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.596 9.161 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.545 7.124 5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.671 10.933 2.936 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.626 8.889 6.525 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.735 10.798 6.506 1.00 0.00 H new ATOM 297 N HIS A 19 -2.245 6.370 0.288 1.00 0.00 N ATOM 298 CA HIS A 19 -3.354 6.778 -0.572 1.00 0.00 C ATOM 299 C HIS A 19 -4.312 5.621 -0.824 1.00 0.00 C ATOM 300 O HIS A 19 -5.519 5.813 -0.945 1.00 0.00 O ATOM 301 CB HIS A 19 -2.832 7.314 -1.907 1.00 0.00 C ATOM 302 CG HIS A 19 -2.057 8.591 -1.787 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.703 8.675 -2.028 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.455 9.841 -1.457 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.303 9.919 -1.850 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.346 10.648 -1.502 1.00 0.00 N ATOM 0 H HIS A 19 -1.330 6.404 -0.162 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.896 7.570 -0.055 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.197 6.557 -2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.676 7.474 -2.578 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.103 7.896 -2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.460 10.147 -1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.708 10.280 -1.969 1.00 0.00 H new ATOM 315 N LEU A 20 -3.766 4.418 -0.893 1.00 0.00 N ATOM 316 CA LEU A 20 -4.550 3.232 -1.156 1.00 0.00 C ATOM 317 C LEU A 20 -5.369 2.844 0.072 1.00 0.00 C ATOM 318 O LEU A 20 -6.499 2.374 -0.049 1.00 0.00 O ATOM 319 CB LEU A 20 -3.616 2.099 -1.572 1.00 0.00 C ATOM 320 CG LEU A 20 -4.291 0.789 -1.940 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.175 0.959 -3.165 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.242 -0.281 -2.180 1.00 0.00 C ATOM 0 H LEU A 20 -2.769 4.241 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.251 3.432 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.026 2.434 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.918 1.910 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.928 0.480 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.647 0.007 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.944 1.703 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.568 1.289 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.732 -1.218 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.587 0.028 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.652 -0.422 -1.274 1.00 0.00 H new ATOM 334 N GLU A 21 -4.805 3.062 1.256 1.00 0.00 N ATOM 335 CA GLU A 21 -5.533 2.806 2.494 1.00 0.00 C ATOM 336 C GLU A 21 -6.679 3.800 2.629 1.00 0.00 C ATOM 337 O GLU A 21 -7.753 3.472 3.141 1.00 0.00 O ATOM 338 CB GLU A 21 -4.599 2.900 3.702 1.00 0.00 C ATOM 339 CG GLU A 21 -5.234 2.438 5.001 1.00 0.00 C ATOM 340 CD GLU A 21 -4.279 2.499 6.175 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.286 3.519 6.891 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.525 1.524 6.377 1.00 0.00 O ATOM 0 H GLU A 21 -3.856 3.412 1.384 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.939 1.795 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.709 2.301 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.269 3.933 3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.105 3.057 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.591 1.415 4.882 1.00 0.00 H new ATOM 349 N ASN A 22 -6.444 5.011 2.138 1.00 0.00 N ATOM 350 CA ASN A 22 -7.473 6.042 2.113 1.00 0.00 C ATOM 351 C ASN A 22 -8.595 5.642 1.158 1.00 0.00 C ATOM 352 O ASN A 22 -9.740 6.054 1.321 1.00 0.00 O ATOM 353 CB ASN A 22 -6.887 7.399 1.695 1.00 0.00 C ATOM 354 CG ASN A 22 -6.110 8.096 2.803 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.042 9.326 2.848 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.518 7.326 3.701 1.00 0.00 N ATOM 0 H ASN A 22 -5.547 5.303 1.751 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.877 6.141 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.229 7.253 0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.698 8.050 1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.984 7.747 4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.595 6.311 3.633 1.00 0.00 H new ATOM 363 N GLU A 23 -8.256 4.812 0.172 1.00 0.00 N ATOM 364 CA GLU A 23 -9.225 4.345 -0.814 1.00 0.00 C ATOM 365 C GLU A 23 -10.220 3.373 -0.187 1.00 0.00 C ATOM 366 O GLU A 23 -11.425 3.457 -0.439 1.00 0.00 O ATOM 367 CB GLU A 23 -8.524 3.684 -2.001 1.00 0.00 C ATOM 368 CG GLU A 23 -7.778 4.668 -2.885 1.00 0.00 C ATOM 369 CD GLU A 23 -7.109 3.997 -4.068 1.00 0.00 C ATOM 370 OE1 GLU A 23 -7.833 3.492 -4.951 1.00 0.00 O ATOM 371 OE2 GLU A 23 -5.863 3.982 -4.115 1.00 0.00 O ATOM 0 H GLU A 23 -7.313 4.449 0.036 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.772 5.216 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.823 2.937 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.264 3.155 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.473 5.425 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.024 5.185 -2.291 1.00 0.00 H new ATOM 378 N VAL A 24 -9.717 2.466 0.648 1.00 0.00 N ATOM 379 CA VAL A 24 -10.577 1.488 1.313 1.00 0.00 C ATOM 380 C VAL A 24 -11.553 2.222 2.232 1.00 0.00 C ATOM 381 O VAL A 24 -12.691 1.797 2.426 1.00 0.00 O ATOM 382 CB VAL A 24 -9.784 0.444 2.151 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.672 -0.746 2.511 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.540 -0.044 1.424 1.00 0.00 C ATOM 0 H VAL A 24 -8.727 2.387 0.879 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.102 0.941 0.530 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.464 0.946 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.098 -1.464 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.525 -0.400 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.027 -1.224 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.017 -0.771 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.829 -0.512 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.882 0.801 1.222 1.00 0.00 H new ATOM 394 N ALA A 25 -11.105 3.353 2.770 1.00 0.00 N ATOM 395 CA ALA A 25 -11.924 4.146 3.677 1.00 0.00 C ATOM 396 C ALA A 25 -13.013 4.918 2.929 1.00 0.00 C ATOM 397 O ALA A 25 -14.048 5.253 3.509 1.00 0.00 O ATOM 398 CB ALA A 25 -11.058 5.099 4.484 1.00 0.00 C ATOM 0 H ALA A 25 -10.178 3.740 2.592 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.419 3.455 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.688 5.683 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.336 4.528 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.529 5.770 3.808 1.00 0.00 H new ATOM 404 N ARG A 26 -12.783 5.195 1.643 1.00 0.00 N ATOM 405 CA ARG A 26 -13.776 5.901 0.831 1.00 0.00 C ATOM 406 C ARG A 26 -15.034 5.064 0.741 1.00 0.00 C ATOM 407 O ARG A 26 -16.143 5.532 1.011 1.00 0.00 O ATOM 408 CB ARG A 26 -13.294 6.155 -0.605 1.00 0.00 C ATOM 409 CG ARG A 26 -11.913 6.758 -0.735 1.00 0.00 C ATOM 410 CD ARG A 26 -11.666 7.225 -2.160 1.00 0.00 C ATOM 411 NE ARG A 26 -10.341 7.817 -2.339 1.00 0.00 N ATOM 412 CZ ARG A 26 -9.883 8.272 -3.507 1.00 0.00 C ATOM 413 NH1 ARG A 26 -10.642 8.196 -4.596 1.00 0.00 N ATOM 414 NH2 ARG A 26 -8.668 8.797 -3.587 1.00 0.00 N ATOM 0 H ARG A 26 -11.928 4.944 1.147 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.954 6.861 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.310 5.209 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.007 6.817 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.811 7.598 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.161 6.022 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.776 6.380 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.426 7.956 -2.435 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.732 7.886 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.576 7.790 -4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.290 8.544 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.081 8.854 -2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.320 9.144 -4.481 1.00 0.00 H new ATOM 428 N LEU A 27 -14.837 3.813 0.359 1.00 0.00 N ATOM 429 CA LEU A 27 -15.941 2.897 0.142 1.00 0.00 C ATOM 430 C LEU A 27 -16.651 2.549 1.450 1.00 0.00 C ATOM 431 O LEU A 27 -17.829 2.215 1.437 1.00 0.00 O ATOM 432 CB LEU A 27 -15.466 1.627 -0.568 1.00 0.00 C ATOM 433 CG LEU A 27 -15.191 1.764 -2.074 1.00 0.00 C ATOM 434 CD1 LEU A 27 -14.085 2.769 -2.359 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.831 0.417 -2.667 1.00 0.00 C ATOM 0 H LEU A 27 -13.916 3.408 0.192 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.661 3.403 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.554 1.281 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.218 0.851 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.104 2.133 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.922 2.836 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.374 3.747 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.165 2.445 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.639 0.529 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.938 0.030 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.657 -0.279 -2.518 1.00 0.00 H new ATOM 447 N LYS A 28 -15.941 2.636 2.576 1.00 0.00 N ATOM 448 CA LYS A 28 -16.564 2.443 3.887 1.00 0.00 C ATOM 449 C LYS A 28 -17.766 3.369 4.046 1.00 0.00 C ATOM 450 O LYS A 28 -18.830 2.958 4.513 1.00 0.00 O ATOM 451 CB LYS A 28 -15.559 2.711 5.012 1.00 0.00 C ATOM 452 CG LYS A 28 -14.464 1.662 5.133 1.00 0.00 C ATOM 453 CD LYS A 28 -15.014 0.312 5.575 1.00 0.00 C ATOM 454 CE LYS A 28 -15.608 0.373 6.974 1.00 0.00 C ATOM 455 NZ LYS A 28 -16.098 -0.955 7.426 1.00 0.00 N ATOM 0 H LYS A 28 -14.942 2.837 2.607 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.897 1.407 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.097 3.685 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.097 2.769 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.960 1.551 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.715 2.000 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.778 -0.017 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.216 -0.431 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.855 0.739 7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.431 1.088 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.495 -0.871 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.834 -1.294 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.308 -1.631 7.437 1.00 0.00 H new ATOM 469 N LYS A 29 -17.588 4.614 3.628 1.00 0.00 N ATOM 470 CA LYS A 29 -18.638 5.612 3.696 1.00 0.00 C ATOM 471 C LYS A 29 -19.745 5.302 2.692 1.00 0.00 C ATOM 472 O LYS A 29 -20.917 5.571 2.936 1.00 0.00 O ATOM 473 CB LYS A 29 -18.036 6.986 3.422 1.00 0.00 C ATOM 474 CG LYS A 29 -16.977 7.392 4.434 1.00 0.00 C ATOM 475 CD LYS A 29 -16.169 8.606 3.984 1.00 0.00 C ATOM 476 CE LYS A 29 -17.014 9.869 3.875 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.787 9.935 2.607 1.00 0.00 N ATOM 0 H LYS A 29 -16.712 4.957 3.233 1.00 0.00 H new ATOM 0 HA LYS A 29 -19.081 5.601 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.596 6.990 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.832 7.730 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.457 7.613 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.302 6.553 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.356 8.778 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.712 8.395 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.703 9.914 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.366 10.742 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.636 10.860 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.467 9.181 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.799 9.810 2.811 1.00 0.00 H new ATOM 491 N LEU A 30 -19.364 4.718 1.571 1.00 0.00 N ATOM 492 CA LEU A 30 -20.318 4.358 0.531 1.00 0.00 C ATOM 493 C LEU A 30 -21.183 3.175 0.960 1.00 0.00 C ATOM 494 O LEU A 30 -22.359 3.091 0.599 1.00 0.00 O ATOM 495 CB LEU A 30 -19.573 4.012 -0.751 1.00 0.00 C ATOM 496 CG LEU A 30 -18.801 5.165 -1.397 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.091 4.690 -2.655 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.736 6.322 -1.720 1.00 0.00 C ATOM 0 H LEU A 30 -18.396 4.481 1.354 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.972 5.212 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.873 3.204 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.291 3.628 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.052 5.516 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.547 5.522 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.391 3.894 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.825 4.313 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.168 7.132 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.508 5.984 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.202 6.680 -0.802 1.00 0.00 H new ATOM 510 N VAL A 31 -20.600 2.267 1.734 1.00 0.00 N ATOM 511 CA VAL A 31 -21.319 1.087 2.203 1.00 0.00 C ATOM 512 C VAL A 31 -22.209 1.452 3.385 1.00 0.00 C ATOM 513 O VAL A 31 -23.249 0.831 3.617 1.00 0.00 O ATOM 514 CB VAL A 31 -20.356 -0.060 2.611 1.00 0.00 C ATOM 515 CG1 VAL A 31 -21.130 -1.313 2.989 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.379 -0.369 1.491 1.00 0.00 C ATOM 0 H VAL A 31 -19.632 2.325 2.050 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.930 0.730 1.374 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.793 0.274 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.432 -2.101 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.788 -1.094 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.726 -1.643 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.714 -1.176 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.930 -0.674 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.790 0.520 1.266 1.00 0.00 H new ATOM 526 N GLY A 32 -21.811 2.479 4.122 1.00 0.00 N ATOM 527 CA GLY A 32 -22.585 2.898 5.263 1.00 0.00 C ATOM 528 C GLY A 32 -21.856 3.897 6.130 1.00 0.00 C ATOM 529 O GLY A 32 -21.481 3.580 7.261 1.00 0.00 O ATOM 0 H GLY A 32 -20.968 3.026 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -23.522 3.337 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -22.843 2.025 5.862 1.00 0.00 H new ATOM 533 N GLU A 33 -21.615 5.085 5.583 1.00 0.00 N ATOM 534 CA GLU A 33 -21.092 6.205 6.369 1.00 0.00 C ATOM 535 C GLU A 33 -21.824 6.350 7.706 1.00 0.00 C ATOM 536 O GLU A 33 -21.172 6.201 8.760 1.00 0.00 O ATOM 537 CB GLU A 33 -21.147 7.525 5.574 1.00 0.00 C ATOM 538 CG GLU A 33 -22.320 7.660 4.599 1.00 0.00 C ATOM 539 CD GLU A 33 -23.674 7.777 5.271 1.00 0.00 C ATOM 540 OE1 GLU A 33 -23.975 8.859 5.818 1.00 0.00 O ATOM 541 OE2 GLU A 33 -24.438 6.790 5.239 1.00 0.00 O ATOM 542 OXT GLU A 33 -23.048 6.580 7.701 1.00 0.00 O ATOM 0 H GLU A 33 -21.773 5.300 4.598 1.00 0.00 H new ATOM 0 HA GLU A 33 -20.047 5.982 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.188 8.353 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.218 7.630 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.160 8.538 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.329 6.795 3.936 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.023 -3.116 2.906 1.00 0.00 N ATOM 551 CA GLY B 1 24.190 -3.700 1.834 1.00 0.00 C ATOM 552 C GLY B 1 23.010 -2.819 1.498 1.00 0.00 C ATOM 553 O GLY B 1 22.631 -1.951 2.287 1.00 0.00 O ATOM 0 H1 GLY B 1 25.911 -2.759 2.500 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.509 -2.333 3.357 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.236 -3.845 3.616 1.00 0.00 H new ATOM 0 HA2 GLY B 1 24.798 -3.849 0.942 1.00 0.00 H new ATOM 0 HA3 GLY B 1 23.834 -4.682 2.145 1.00 0.00 H new ATOM 559 N SER B 2 22.417 -3.044 0.340 1.00 0.00 N ATOM 560 CA SER B 2 21.287 -2.250 -0.098 1.00 0.00 C ATOM 561 C SER B 2 20.028 -3.105 -0.245 1.00 0.00 C ATOM 562 O SER B 2 19.027 -2.870 0.430 1.00 0.00 O ATOM 563 CB SER B 2 21.632 -1.551 -1.416 1.00 0.00 C ATOM 564 OG SER B 2 22.300 -2.436 -2.303 1.00 0.00 O ATOM 0 H SER B 2 22.701 -3.773 -0.315 1.00 0.00 H new ATOM 0 HA SER B 2 21.076 -1.496 0.660 1.00 0.00 H new ATOM 0 HB2 SER B 2 20.720 -1.181 -1.885 1.00 0.00 H new ATOM 0 HB3 SER B 2 22.263 -0.685 -1.218 1.00 0.00 H new ATOM 0 HG SER B 2 21.694 -2.689 -3.030 1.00 0.00 H new ATOM 570 N MET B 3 20.090 -4.113 -1.102 1.00 0.00 N ATOM 571 CA MET B 3 18.918 -4.925 -1.412 1.00 0.00 C ATOM 572 C MET B 3 18.526 -5.828 -0.248 1.00 0.00 C ATOM 573 O MET B 3 17.356 -6.187 -0.105 1.00 0.00 O ATOM 574 CB MET B 3 19.158 -5.774 -2.666 1.00 0.00 C ATOM 575 CG MET B 3 19.101 -4.994 -3.973 1.00 0.00 C ATOM 576 SD MET B 3 20.415 -3.769 -4.133 1.00 0.00 S ATOM 577 CE MET B 3 20.027 -3.067 -5.734 1.00 0.00 C ATOM 0 H MET B 3 20.938 -4.390 -1.596 1.00 0.00 H new ATOM 0 HA MET B 3 18.095 -4.235 -1.597 1.00 0.00 H new ATOM 0 HB2 MET B 3 20.134 -6.253 -2.585 1.00 0.00 H new ATOM 0 HB3 MET B 3 18.414 -6.570 -2.699 1.00 0.00 H new ATOM 0 HG2 MET B 3 19.162 -5.693 -4.807 1.00 0.00 H new ATOM 0 HG3 MET B 3 18.136 -4.493 -4.047 1.00 0.00 H new ATOM 0 HE1 MET B 3 20.753 -2.291 -5.977 1.00 0.00 H new ATOM 0 HE2 MET B 3 20.064 -3.849 -6.493 1.00 0.00 H new ATOM 0 HE3 MET B 3 19.027 -2.634 -5.709 1.00 0.00 H new ATOM 587 N LYS B 4 19.493 -6.181 0.588 1.00 0.00 N ATOM 588 CA LYS B 4 19.258 -7.131 1.672 1.00 0.00 C ATOM 589 C LYS B 4 18.166 -6.645 2.628 1.00 0.00 C ATOM 590 O LYS B 4 17.213 -7.370 2.912 1.00 0.00 O ATOM 591 CB LYS B 4 20.553 -7.393 2.445 1.00 0.00 C ATOM 592 CG LYS B 4 20.409 -8.460 3.521 1.00 0.00 C ATOM 593 CD LYS B 4 21.730 -8.746 4.221 1.00 0.00 C ATOM 594 CE LYS B 4 22.255 -7.525 4.961 1.00 0.00 C ATOM 595 NZ LYS B 4 23.535 -7.810 5.661 1.00 0.00 N ATOM 0 H LYS B 4 20.448 -5.825 0.538 1.00 0.00 H new ATOM 0 HA LYS B 4 18.915 -8.062 1.220 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.331 -7.697 1.744 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.886 -6.464 2.907 1.00 0.00 H new ATOM 0 HG2 LYS B 4 19.672 -8.137 4.256 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.030 -9.378 3.072 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.598 -9.568 4.925 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.467 -9.070 3.487 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.401 -6.708 4.255 1.00 0.00 H new ATOM 0 HE3 LYS B 4 21.512 -7.192 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.860 -6.953 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 23.390 -8.573 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 24.252 -8.104 4.967 1.00 0.00 H new ATOM 609 N GLN B 5 18.302 -5.428 3.125 1.00 0.00 N ATOM 610 CA GLN B 5 17.332 -4.892 4.074 1.00 0.00 C ATOM 611 C GLN B 5 16.307 -3.990 3.393 1.00 0.00 C ATOM 612 O GLN B 5 15.105 -4.100 3.653 1.00 0.00 O ATOM 613 CB GLN B 5 18.042 -4.124 5.190 1.00 0.00 C ATOM 614 CG GLN B 5 18.980 -4.988 6.015 1.00 0.00 C ATOM 615 CD GLN B 5 19.691 -4.208 7.102 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.951 -3.013 6.960 1.00 0.00 O ATOM 617 NE2 GLN B 5 20.016 -4.881 8.195 1.00 0.00 N ATOM 0 H GLN B 5 19.066 -4.794 2.892 1.00 0.00 H new ATOM 0 HA GLN B 5 16.798 -5.740 4.503 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.608 -3.302 4.752 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.295 -3.681 5.848 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.413 -5.801 6.469 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.720 -5.444 5.357 1.00 0.00 H new ATOM 0 HE21 GLN B 5 19.782 -5.871 8.273 1.00 0.00 H new ATOM 0 HE22 GLN B 5 20.500 -4.410 8.959 1.00 0.00 H new ATOM 626 N LEU B 6 16.775 -3.113 2.510 1.00 0.00 N ATOM 627 CA LEU B 6 15.907 -2.112 1.899 1.00 0.00 C ATOM 628 C LEU B 6 14.890 -2.741 0.948 1.00 0.00 C ATOM 629 O LEU B 6 13.707 -2.415 1.011 1.00 0.00 O ATOM 630 CB LEU B 6 16.721 -1.042 1.158 1.00 0.00 C ATOM 631 CG LEU B 6 17.454 -0.008 2.033 1.00 0.00 C ATOM 632 CD1 LEU B 6 16.480 0.700 2.962 1.00 0.00 C ATOM 633 CD2 LEU B 6 18.584 -0.649 2.826 1.00 0.00 C ATOM 0 H LEU B 6 17.747 -3.075 2.202 1.00 0.00 H new ATOM 0 HA LEU B 6 15.361 -1.636 2.714 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.459 -1.546 0.535 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.050 -0.506 0.487 1.00 0.00 H new ATOM 0 HG LEU B 6 17.896 0.733 1.367 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.020 1.426 3.570 1.00 0.00 H new ATOM 0 HD12 LEU B 6 15.722 1.214 2.371 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.999 -0.032 3.611 1.00 0.00 H new ATOM 0 HD21 LEU B 6 19.079 0.110 3.432 1.00 0.00 H new ATOM 0 HD22 LEU B 6 18.178 -1.424 3.476 1.00 0.00 H new ATOM 0 HD23 LEU B 6 19.305 -1.092 2.139 1.00 0.00 H new ATOM 645 N GLU B 7 15.337 -3.648 0.079 1.00 0.00 N ATOM 646 CA GLU B 7 14.444 -4.255 -0.896 1.00 0.00 C ATOM 647 C GLU B 7 13.384 -5.108 -0.205 1.00 0.00 C ATOM 648 O GLU B 7 12.278 -5.271 -0.715 1.00 0.00 O ATOM 649 CB GLU B 7 15.228 -5.099 -1.896 1.00 0.00 C ATOM 650 CG GLU B 7 14.420 -5.461 -3.120 1.00 0.00 C ATOM 651 CD GLU B 7 15.179 -6.334 -4.102 1.00 0.00 C ATOM 652 OE1 GLU B 7 15.884 -5.778 -4.968 1.00 0.00 O ATOM 653 OE2 GLU B 7 15.066 -7.574 -4.002 1.00 0.00 O ATOM 0 H GLU B 7 16.303 -3.973 0.033 1.00 0.00 H new ATOM 0 HA GLU B 7 13.943 -3.452 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.120 -4.553 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.566 -6.012 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU B 7 13.513 -5.980 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU B 7 14.107 -4.547 -3.624 1.00 0.00 H new ATOM 660 N ASP B 8 13.723 -5.645 0.962 1.00 0.00 N ATOM 661 CA ASP B 8 12.762 -6.416 1.742 1.00 0.00 C ATOM 662 C ASP B 8 11.694 -5.500 2.319 1.00 0.00 C ATOM 663 O ASP B 8 10.539 -5.888 2.449 1.00 0.00 O ATOM 664 CB ASP B 8 13.452 -7.198 2.861 1.00 0.00 C ATOM 665 CG ASP B 8 13.963 -8.546 2.389 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.261 -9.554 2.609 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.056 -8.591 1.791 1.00 0.00 O ATOM 0 H ASP B 8 14.647 -5.562 1.386 1.00 0.00 H new ATOM 0 HA ASP B 8 12.289 -7.135 1.074 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.284 -6.612 3.251 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.752 -7.345 3.684 1.00 0.00 H new ATOM 672 N LYS B 9 12.086 -4.274 2.644 1.00 0.00 N ATOM 673 CA LYS B 9 11.146 -3.276 3.136 1.00 0.00 C ATOM 674 C LYS B 9 10.202 -2.872 2.004 1.00 0.00 C ATOM 675 O LYS B 9 9.006 -2.664 2.216 1.00 0.00 O ATOM 676 CB LYS B 9 11.904 -2.057 3.671 1.00 0.00 C ATOM 677 CG LYS B 9 11.065 -1.133 4.541 1.00 0.00 C ATOM 678 CD LYS B 9 11.909 -0.005 5.114 1.00 0.00 C ATOM 679 CE LYS B 9 11.163 0.774 6.187 1.00 0.00 C ATOM 680 NZ LYS B 9 9.970 1.478 5.653 1.00 0.00 N ATOM 0 H LYS B 9 13.050 -3.947 2.575 1.00 0.00 H new ATOM 0 HA LYS B 9 10.560 -3.696 3.954 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.762 -2.401 4.248 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.295 -1.488 2.828 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.248 -0.717 3.952 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.614 -1.703 5.353 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.826 -0.416 5.536 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.203 0.672 4.312 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.854 0.091 6.978 1.00 0.00 H new ATOM 0 HE3 LYS B 9 11.838 1.501 6.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.362 1.777 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 10.273 2.314 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.439 0.837 5.030 1.00 0.00 H new ATOM 694 N VAL B 10 10.760 -2.783 0.799 1.00 0.00 N ATOM 695 CA VAL B 10 9.973 -2.540 -0.405 1.00 0.00 C ATOM 696 C VAL B 10 9.002 -3.689 -0.633 1.00 0.00 C ATOM 697 O VAL B 10 7.813 -3.478 -0.849 1.00 0.00 O ATOM 698 CB VAL B 10 10.869 -2.404 -1.655 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.037 -2.064 -2.880 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.951 -1.362 -1.441 1.00 0.00 C ATOM 0 H VAL B 10 11.762 -2.876 0.631 1.00 0.00 H new ATOM 0 HA VAL B 10 9.433 -1.605 -0.255 1.00 0.00 H new ATOM 0 HB VAL B 10 11.354 -3.365 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL B 10 10.689 -1.973 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.307 -2.855 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL B 10 9.517 -1.120 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.567 -1.288 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.490 -0.396 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL B 10 12.574 -1.653 -0.596 1.00 0.00 H new ATOM 710 N GLU B 11 9.531 -4.906 -0.576 1.00 0.00 N ATOM 711 CA GLU B 11 8.737 -6.117 -0.760 1.00 0.00 C ATOM 712 C GLU B 11 7.591 -6.172 0.246 1.00 0.00 C ATOM 713 O GLU B 11 6.474 -6.558 -0.095 1.00 0.00 O ATOM 714 CB GLU B 11 9.638 -7.347 -0.615 1.00 0.00 C ATOM 715 CG GLU B 11 8.918 -8.672 -0.796 1.00 0.00 C ATOM 716 CD GLU B 11 9.866 -9.855 -0.747 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.312 -10.213 0.363 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.159 -10.426 -1.818 1.00 0.00 O ATOM 0 H GLU B 11 10.520 -5.082 -0.401 1.00 0.00 H new ATOM 0 HA GLU B 11 8.304 -6.106 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.444 -7.281 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.101 -7.330 0.372 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.163 -8.782 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.393 -8.670 -1.751 1.00 0.00 H new ATOM 725 N GLU B 12 7.875 -5.786 1.484 1.00 0.00 N ATOM 726 CA GLU B 12 6.846 -5.719 2.521 1.00 0.00 C ATOM 727 C GLU B 12 5.729 -4.740 2.146 1.00 0.00 C ATOM 728 O GLU B 12 4.549 -5.078 2.218 1.00 0.00 O ATOM 729 CB GLU B 12 7.462 -5.331 3.865 1.00 0.00 C ATOM 730 CG GLU B 12 8.341 -6.417 4.461 1.00 0.00 C ATOM 731 CD GLU B 12 8.976 -6.006 5.772 1.00 0.00 C ATOM 732 OE1 GLU B 12 8.372 -6.270 6.832 1.00 0.00 O ATOM 733 OE2 GLU B 12 10.080 -5.423 5.740 1.00 0.00 O ATOM 0 H GLU B 12 8.807 -5.514 1.797 1.00 0.00 H new ATOM 0 HA GLU B 12 6.404 -6.711 2.608 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.053 -4.424 3.737 1.00 0.00 H new ATOM 0 HB3 GLU B 12 6.663 -5.094 4.568 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.744 -7.315 4.618 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.124 -6.675 3.749 1.00 0.00 H new ATOM 740 N LEU B 13 6.093 -3.525 1.762 1.00 0.00 N ATOM 741 CA LEU B 13 5.105 -2.536 1.345 1.00 0.00 C ATOM 742 C LEU B 13 4.457 -2.872 0.009 1.00 0.00 C ATOM 743 O LEU B 13 3.311 -2.506 -0.225 1.00 0.00 O ATOM 744 CB LEU B 13 5.727 -1.153 1.321 1.00 0.00 C ATOM 745 CG LEU B 13 5.683 -0.470 2.676 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.923 0.378 2.897 1.00 0.00 C ATOM 747 CD2 LEU B 13 4.431 0.382 2.795 1.00 0.00 C ATOM 0 H LEU B 13 7.059 -3.200 1.730 1.00 0.00 H new ATOM 0 HA LEU B 13 4.302 -2.552 2.082 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.763 -1.230 0.991 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.204 -0.536 0.590 1.00 0.00 H new ATOM 0 HG LEU B 13 5.658 -1.241 3.446 1.00 0.00 H new ATOM 0 HD11 LEU B 13 6.867 0.857 3.875 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.809 -0.255 2.853 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.984 1.142 2.122 1.00 0.00 H new ATOM 0 HD21 LEU B 13 4.412 0.866 3.771 1.00 0.00 H new ATOM 0 HD22 LEU B 13 4.432 1.142 2.013 1.00 0.00 H new ATOM 0 HD23 LEU B 13 3.549 -0.250 2.686 1.00 0.00 H new ATOM 759 N LEU B 14 5.182 -3.554 -0.862 1.00 0.00 N ATOM 760 CA LEU B 14 4.601 -4.075 -2.087 1.00 0.00 C ATOM 761 C LEU B 14 3.555 -5.127 -1.726 1.00 0.00 C ATOM 762 O LEU B 14 2.474 -5.179 -2.313 1.00 0.00 O ATOM 763 CB LEU B 14 5.723 -4.635 -2.988 1.00 0.00 C ATOM 764 CG LEU B 14 5.315 -5.219 -4.348 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.730 -6.613 -4.198 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.339 -4.297 -5.072 1.00 0.00 C ATOM 0 H LEU B 14 6.174 -3.760 -0.743 1.00 0.00 H new ATOM 0 HA LEU B 14 4.100 -3.288 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.441 -3.835 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.245 -5.413 -2.431 1.00 0.00 H new ATOM 0 HG LEU B 14 6.217 -5.299 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.451 -6.998 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.472 -7.272 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.847 -6.570 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.068 -4.736 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.443 -4.168 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.809 -3.327 -5.236 1.00 0.00 H new ATOM 778 N SER B 15 3.882 -5.945 -0.734 1.00 0.00 N ATOM 779 CA SER B 15 2.948 -6.918 -0.197 1.00 0.00 C ATOM 780 C SER B 15 1.733 -6.212 0.406 1.00 0.00 C ATOM 781 O SER B 15 0.591 -6.617 0.159 1.00 0.00 O ATOM 782 CB SER B 15 3.640 -7.792 0.854 1.00 0.00 C ATOM 783 OG SER B 15 2.787 -8.829 1.316 1.00 0.00 O ATOM 0 H SER B 15 4.797 -5.951 -0.283 1.00 0.00 H new ATOM 0 HA SER B 15 2.605 -7.559 -1.009 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.544 -8.227 0.428 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.950 -7.173 1.696 1.00 0.00 H new ATOM 0 HG SER B 15 3.260 -9.368 1.984 1.00 0.00 H new ATOM 789 N LYS B 16 1.966 -5.157 1.197 1.00 0.00 N ATOM 790 CA LYS B 16 0.860 -4.369 1.730 1.00 0.00 C ATOM 791 C LYS B 16 0.036 -3.747 0.604 1.00 0.00 C ATOM 792 O LYS B 16 -1.184 -3.860 0.599 1.00 0.00 O ATOM 793 CB LYS B 16 1.356 -3.289 2.693 1.00 0.00 C ATOM 794 CG LYS B 16 1.566 -3.802 4.111 1.00 0.00 C ATOM 795 CD LYS B 16 1.986 -2.691 5.059 1.00 0.00 C ATOM 796 CE LYS B 16 3.455 -2.338 4.902 1.00 0.00 C ATOM 797 NZ LYS B 16 4.341 -3.456 5.327 1.00 0.00 N ATOM 0 H LYS B 16 2.894 -4.838 1.475 1.00 0.00 H new ATOM 0 HA LYS B 16 0.217 -5.048 2.290 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.294 -2.880 2.318 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.637 -2.470 2.712 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.644 -4.258 4.472 1.00 0.00 H new ATOM 0 HG3 LYS B 16 2.327 -4.582 4.106 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.378 -1.806 4.873 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.794 -2.999 6.087 1.00 0.00 H new ATOM 0 HE2 LYS B 16 3.659 -2.088 3.861 1.00 0.00 H new ATOM 0 HE3 LYS B 16 3.681 -1.451 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 5.287 -3.085 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 3.943 -3.912 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 4.413 -4.153 4.559 1.00 0.00 H new ATOM 811 N ASN B 17 0.715 -3.118 -0.353 1.00 0.00 N ATOM 812 CA ASN B 17 0.074 -2.519 -1.524 1.00 0.00 C ATOM 813 C ASN B 17 -0.849 -3.517 -2.224 1.00 0.00 C ATOM 814 O ASN B 17 -1.934 -3.166 -2.685 1.00 0.00 O ATOM 815 CB ASN B 17 1.158 -2.042 -2.499 1.00 0.00 C ATOM 816 CG ASN B 17 0.607 -1.420 -3.769 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.434 -0.771 -3.767 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.307 -1.628 -4.876 1.00 0.00 N ATOM 0 H ASN B 17 1.729 -3.008 -0.339 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.533 -1.676 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.793 -1.314 -1.994 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.792 -2.888 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.984 -1.243 -5.764 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.169 -2.173 -4.840 1.00 0.00 H new ATOM 825 N TYR B 18 -0.417 -4.764 -2.291 1.00 0.00 N ATOM 826 CA TYR B 18 -1.193 -5.808 -2.942 1.00 0.00 C ATOM 827 C TYR B 18 -2.446 -6.129 -2.133 1.00 0.00 C ATOM 828 O TYR B 18 -3.567 -6.001 -2.630 1.00 0.00 O ATOM 829 CB TYR B 18 -0.340 -7.067 -3.117 1.00 0.00 C ATOM 830 CG TYR B 18 -1.016 -8.152 -3.922 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.623 -9.237 -3.299 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.048 -8.091 -5.308 1.00 0.00 C ATOM 833 CE1 TYR B 18 -2.241 -10.228 -4.039 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.662 -9.075 -6.052 1.00 0.00 C ATOM 835 CZ TYR B 18 -2.257 -10.141 -5.415 1.00 0.00 C ATOM 836 OH TYR B 18 -2.865 -11.127 -6.161 1.00 0.00 O ATOM 0 H TYR B 18 0.471 -5.080 -1.901 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.500 -5.449 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.597 -6.796 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.085 -7.462 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.612 -9.307 -2.221 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.583 -7.257 -5.813 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.708 -11.065 -3.542 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.677 -9.010 -7.130 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.787 -10.911 -7.114 1.00 0.00 H new ATOM 846 N HIS B 19 -2.250 -6.513 -0.877 1.00 0.00 N ATOM 847 CA HIS B 19 -3.356 -6.923 -0.014 1.00 0.00 C ATOM 848 C HIS B 19 -4.311 -5.765 0.243 1.00 0.00 C ATOM 849 O HIS B 19 -5.520 -5.956 0.362 1.00 0.00 O ATOM 850 CB HIS B 19 -2.831 -7.463 1.319 1.00 0.00 C ATOM 851 CG HIS B 19 -2.060 -8.740 1.194 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.706 -8.827 1.430 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.462 -9.987 0.859 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.308 -10.071 1.242 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.355 -10.796 0.894 1.00 0.00 N ATOM 0 H HIS B 19 -1.334 -6.550 -0.431 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.899 -7.714 -0.530 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.193 -6.709 1.780 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.673 -7.623 1.992 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -0.105 -8.051 1.707 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.468 -10.290 0.610 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.703 -10.434 1.354 1.00 0.00 H new ATOM 864 N LEU B 20 -3.762 -4.562 0.312 1.00 0.00 N ATOM 865 CA LEU B 20 -4.543 -3.375 0.581 1.00 0.00 C ATOM 866 C LEU B 20 -5.367 -2.985 -0.642 1.00 0.00 C ATOM 867 O LEU B 20 -6.496 -2.513 -0.513 1.00 0.00 O ATOM 868 CB LEU B 20 -3.607 -2.244 0.995 1.00 0.00 C ATOM 869 CG LEU B 20 -4.279 -0.935 1.371 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.158 -1.108 2.600 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.229 0.131 1.610 1.00 0.00 C ATOM 0 H LEU B 20 -2.766 -4.386 0.183 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.240 -3.575 1.395 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.012 -2.582 1.843 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -2.914 -2.053 0.176 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.919 -0.622 0.546 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.628 -0.156 2.848 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.929 -1.850 2.394 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.548 -1.442 3.440 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.716 1.068 1.879 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.571 -0.182 2.421 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.643 0.275 0.702 1.00 0.00 H new ATOM 883 N GLU B 21 -4.812 -3.201 -1.830 1.00 0.00 N ATOM 884 CA GLU B 21 -5.547 -2.939 -3.063 1.00 0.00 C ATOM 885 C GLU B 21 -6.692 -3.930 -3.196 1.00 0.00 C ATOM 886 O GLU B 21 -7.769 -3.601 -3.701 1.00 0.00 O ATOM 887 CB GLU B 21 -4.619 -3.032 -4.276 1.00 0.00 C ATOM 888 CG GLU B 21 -5.260 -2.568 -5.572 1.00 0.00 C ATOM 889 CD GLU B 21 -4.302 -2.617 -6.744 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.312 -3.626 -7.480 1.00 0.00 O ATOM 891 OE2 GLU B 21 -3.537 -1.647 -6.920 1.00 0.00 O ATOM 0 H GLU B 21 -3.864 -3.554 -1.965 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.952 -1.928 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.728 -2.434 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.291 -4.065 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.126 -3.193 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.625 -1.549 -5.448 1.00 0.00 H new ATOM 898 N ASN B 22 -6.456 -5.143 -2.711 1.00 0.00 N ATOM 899 CA ASN B 22 -7.488 -6.169 -2.686 1.00 0.00 C ATOM 900 C ASN B 22 -8.606 -5.768 -1.725 1.00 0.00 C ATOM 901 O ASN B 22 -9.754 -6.173 -1.892 1.00 0.00 O ATOM 902 CB ASN B 22 -6.903 -7.528 -2.280 1.00 0.00 C ATOM 903 CG ASN B 22 -6.139 -8.221 -3.397 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.083 -9.449 -3.451 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.545 -7.452 -4.294 1.00 0.00 N ATOM 0 H ASN B 22 -5.558 -5.439 -2.330 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.899 -6.263 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.237 -7.388 -1.429 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.713 -8.178 -1.948 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -5.020 -7.874 -5.060 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.611 -6.437 -4.220 1.00 0.00 H new ATOM 912 N GLU B 23 -8.262 -4.944 -0.736 1.00 0.00 N ATOM 913 CA GLU B 23 -9.226 -4.480 0.257 1.00 0.00 C ATOM 914 C GLU B 23 -10.222 -3.504 -0.361 1.00 0.00 C ATOM 915 O GLU B 23 -11.426 -3.586 -0.106 1.00 0.00 O ATOM 916 CB GLU B 23 -8.517 -3.826 1.444 1.00 0.00 C ATOM 917 CG GLU B 23 -7.768 -4.815 2.320 1.00 0.00 C ATOM 918 CD GLU B 23 -7.102 -4.152 3.508 1.00 0.00 C ATOM 919 OE1 GLU B 23 -7.826 -3.687 4.411 1.00 0.00 O ATOM 920 OE2 GLU B 23 -5.855 -4.099 3.537 1.00 0.00 O ATOM 0 H GLU B 23 -7.317 -4.583 -0.602 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.773 -5.351 0.617 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.816 -3.079 1.072 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.253 -3.299 2.051 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.461 -5.578 2.675 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.012 -5.325 1.722 1.00 0.00 H new ATOM 927 N VAL B 24 -9.720 -2.597 -1.196 1.00 0.00 N ATOM 928 CA VAL B 24 -10.582 -1.616 -1.855 1.00 0.00 C ATOM 929 C VAL B 24 -11.564 -2.346 -2.771 1.00 0.00 C ATOM 930 O VAL B 24 -12.704 -1.921 -2.950 1.00 0.00 O ATOM 931 CB VAL B 24 -9.791 -0.571 -2.694 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.677 0.622 -3.049 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.543 -0.086 -1.972 1.00 0.00 C ATOM 0 H VAL B 24 -8.731 -2.520 -1.431 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.103 -1.071 -1.068 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.477 -1.073 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.103 1.340 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.533 0.279 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.028 1.099 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.022 0.642 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.827 0.380 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.885 -0.932 -1.775 1.00 0.00 H new ATOM 943 N ALA B 25 -11.118 -3.476 -3.315 1.00 0.00 N ATOM 944 CA ALA B 25 -11.944 -4.265 -4.221 1.00 0.00 C ATOM 945 C ALA B 25 -13.030 -5.036 -3.471 1.00 0.00 C ATOM 946 O ALA B 25 -14.068 -5.365 -4.046 1.00 0.00 O ATOM 947 CB ALA B 25 -11.085 -5.218 -5.034 1.00 0.00 C ATOM 0 H ALA B 25 -10.190 -3.864 -3.144 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.440 -3.570 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.719 -5.798 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.364 -4.648 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.554 -5.893 -4.362 1.00 0.00 H new ATOM 953 N ARG B 26 -12.795 -5.318 -2.188 1.00 0.00 N ATOM 954 CA ARG B 26 -13.787 -6.022 -1.373 1.00 0.00 C ATOM 955 C ARG B 26 -15.043 -5.181 -1.281 1.00 0.00 C ATOM 956 O ARG B 26 -16.152 -5.638 -1.565 1.00 0.00 O ATOM 957 CB ARG B 26 -13.299 -6.282 0.060 1.00 0.00 C ATOM 958 CG ARG B 26 -11.917 -6.888 0.182 1.00 0.00 C ATOM 959 CD ARG B 26 -11.662 -7.360 1.607 1.00 0.00 C ATOM 960 NE ARG B 26 -10.336 -7.957 1.779 1.00 0.00 N ATOM 961 CZ ARG B 26 -9.880 -8.422 2.943 1.00 0.00 C ATOM 962 NH1 ARG B 26 -10.631 -8.346 4.032 1.00 0.00 N ATOM 963 NH2 ARG B 26 -8.669 -8.955 3.019 1.00 0.00 N ATOM 0 H ARG B 26 -11.936 -5.073 -1.695 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.971 -6.981 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -13.312 -5.338 0.605 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -14.011 -6.944 0.552 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.820 -7.727 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -11.165 -6.152 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.766 -6.516 2.289 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.423 -8.090 1.885 1.00 0.00 H new ATOM 0 HE ARG B 26 -9.727 -8.021 0.963 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.561 -7.931 3.982 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -10.279 -8.703 4.920 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.083 -9.010 2.186 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -8.323 -9.310 3.911 1.00 0.00 H new ATOM 977 N LEU B 27 -14.844 -3.934 -0.887 1.00 0.00 N ATOM 978 CA LEU B 27 -15.945 -3.016 -0.665 1.00 0.00 C ATOM 979 C LEU B 27 -16.659 -2.666 -1.967 1.00 0.00 C ATOM 980 O LEU B 27 -17.839 -2.336 -1.948 1.00 0.00 O ATOM 981 CB LEU B 27 -15.463 -1.750 0.046 1.00 0.00 C ATOM 982 CG LEU B 27 -15.180 -1.893 1.551 1.00 0.00 C ATOM 983 CD1 LEU B 27 -14.075 -2.901 1.829 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.816 -0.548 2.144 1.00 0.00 C ATOM 0 H LEU B 27 -13.922 -3.534 -0.714 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.666 -3.520 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.553 -1.405 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -16.213 -0.971 -0.091 1.00 0.00 H new ATOM 0 HG LEU B 27 -16.091 -2.264 2.021 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.908 -2.970 2.904 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.368 -3.878 1.443 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.156 -2.578 1.339 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.618 -0.662 3.210 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.926 -0.161 1.649 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.642 0.148 2.001 1.00 0.00 H new ATOM 996 N LYS B 28 -15.953 -2.748 -3.097 1.00 0.00 N ATOM 997 CA LYS B 28 -16.580 -2.552 -4.406 1.00 0.00 C ATOM 998 C LYS B 28 -17.782 -3.477 -4.563 1.00 0.00 C ATOM 999 O LYS B 28 -18.845 -3.066 -5.034 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.580 -2.819 -5.535 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.485 -1.770 -5.657 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.035 -0.416 -6.093 1.00 0.00 C ATOM 1003 CE LYS B 28 -15.635 -0.471 -7.489 1.00 0.00 C ATOM 1004 NZ LYS B 28 -16.121 0.861 -7.935 1.00 0.00 N ATOM 0 H LYS B 28 -14.953 -2.947 -3.132 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.912 -1.515 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -15.118 -3.793 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -16.121 -2.875 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.977 -1.663 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.739 -2.107 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.795 -0.087 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.236 0.325 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.887 -0.839 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.461 -1.182 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.523 0.782 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.853 1.201 -7.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.328 1.534 -7.948 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.608 -4.722 -4.143 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.659 -5.718 -4.213 1.00 0.00 C ATOM 1020 C LYS B 29 -19.762 -5.412 -3.201 1.00 0.00 C ATOM 1021 O LYS B 29 -20.937 -5.686 -3.436 1.00 0.00 O ATOM 1022 CB LYS B 29 -18.058 -7.094 -3.948 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.005 -7.498 -4.968 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.195 -8.714 -4.526 1.00 0.00 C ATOM 1025 CE LYS B 29 -17.039 -9.978 -4.413 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.808 -10.043 -3.141 1.00 0.00 N ATOM 0 H LYS B 29 -16.734 -5.066 -3.745 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.106 -5.701 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.612 -7.102 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.856 -7.837 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.491 -7.716 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.330 -6.659 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.387 -8.885 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.732 -8.505 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.731 -10.024 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.390 -10.851 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.655 -10.967 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.486 -9.288 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.821 -9.919 -3.341 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.375 -4.825 -2.084 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.323 -4.465 -1.038 1.00 0.00 C ATOM 1042 C LEU B 30 -21.186 -3.279 -1.462 1.00 0.00 C ATOM 1043 O LEU B 30 -22.358 -3.190 -1.094 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.571 -4.125 0.240 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.798 -5.281 0.880 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.083 -4.811 2.135 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.730 -6.439 1.202 1.00 0.00 C ATOM 0 H LEU B 30 -18.406 -4.585 -1.874 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.979 -5.317 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.870 -3.318 0.024 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.285 -3.741 0.969 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.052 -5.630 0.166 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.538 -5.645 2.577 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.383 -4.016 1.879 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.814 -4.434 2.851 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.160 -7.250 1.656 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.500 -6.104 1.897 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -20.199 -6.795 0.284 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.604 -2.372 -2.237 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.324 -1.191 -2.699 1.00 0.00 C ATOM 1061 C VAL B 31 -22.222 -1.550 -3.879 1.00 0.00 C ATOM 1062 O VAL B 31 -23.263 -0.926 -4.100 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.363 -0.045 -3.107 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -21.136 1.211 -3.479 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.380 0.260 -1.989 1.00 0.00 C ATOM 0 H VAL B 31 -19.638 -2.431 -2.558 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.932 -0.837 -1.866 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.805 -0.378 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.437 1.998 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.798 0.996 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.728 1.540 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.716 1.067 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.927 0.562 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.791 -0.630 -1.770 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.832 -2.578 -4.619 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.613 -2.992 -5.759 1.00 0.00 C ATOM 1077 C GLY B 32 -21.884 -3.988 -6.629 1.00 0.00 C ATOM 1078 O GLY B 32 -21.501 -3.664 -7.752 1.00 0.00 O ATOM 0 H GLY B 32 -20.991 -3.129 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -23.548 -3.432 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -22.873 -2.117 -6.354 1.00 0.00 H new ATOM 1082 N GLU B 33 -21.646 -5.181 -6.088 1.00 0.00 N ATOM 1083 CA GLU B 33 -21.125 -6.298 -6.882 1.00 0.00 C ATOM 1084 C GLU B 33 -21.858 -6.440 -8.220 1.00 0.00 C ATOM 1085 O GLU B 33 -21.211 -6.277 -9.272 1.00 0.00 O ATOM 1086 CB GLU B 33 -21.183 -7.619 -6.090 1.00 0.00 C ATOM 1087 CG GLU B 33 -22.355 -7.753 -5.113 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.713 -7.869 -5.783 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.017 -8.951 -6.326 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -24.475 -6.880 -5.754 1.00 0.00 O ATOM 1091 OXT GLU B 33 -23.078 -6.681 -8.216 1.00 0.00 O ATOM 0 H GLU B 33 -21.804 -5.402 -5.105 1.00 0.00 H new ATOM 0 HA GLU B 33 -20.081 -6.073 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -21.228 -8.446 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -20.253 -7.728 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -22.194 -8.632 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -22.362 -6.888 -4.450 1.00 0.00 H new TER 1098 GLU B 33