USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 687 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: p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: p 73 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Set 2.1: p 56 LYS NZ :NH3+ 130:sc= 0 (180deg=-0.00179) USER MOD Set 2.2: p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: p 41 CYS SG : rot 180:sc= -0.265 USER MOD Set 3.2: p 42 SER OG : rot 180:sc= 0 USER MOD Set 4.1: p 20 LYS NZ :NH3+ 155:sc= -0.622 (180deg=0) USER MOD Set 4.2: p 27 LYS NZ :NH3+ -166:sc= -0.648 (180deg=0) USER MOD Set 5.1: p 2 GLN : amide:sc= 0.92 K(o=2,f=-7.7!) USER MOD Set 5.2: p 6 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0) USER MOD Single : p 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 1 MET N :NH3+ 169:sc= -0.139 (180deg=-0.296) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 33 ASN : amide:sc= 1.2 K(o=1.2,f=-0.026) USER MOD Single : p 34 CYS SG : rot 180:sc= 0 USER MOD Single : p 36 CYS SG : rot 180:sc= 0 USER MOD Single : p 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 48 TYR OH : rot 180:sc= 0 USER MOD Single : p 49 SER OG : rot 180:sc= 0 USER MOD Single : p 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET p 1 -7.120 24.932 3.926 1.00 0.00 N ATOM 2 CA MET p 1 -6.873 23.873 2.906 1.00 0.00 C ATOM 3 C MET p 1 -5.587 23.079 3.215 1.00 0.00 C ATOM 4 O MET p 1 -5.005 22.439 2.330 1.00 0.00 O ATOM 5 CB MET p 1 -6.821 24.492 1.485 1.00 0.00 C ATOM 6 CG MET p 1 -5.860 25.672 1.316 1.00 0.00 C ATOM 7 SD MET p 1 -5.858 26.325 -0.365 1.00 0.00 S ATOM 8 CE MET p 1 -4.672 27.659 -0.216 1.00 0.00 C ATOM 0 H1 MET p 1 -7.878 25.563 3.595 1.00 0.00 H new ATOM 0 H2 MET p 1 -7.405 24.490 4.823 1.00 0.00 H new ATOM 0 H3 MET p 1 -6.250 25.483 4.072 1.00 0.00 H new ATOM 0 HA MET p 1 -7.704 23.169 2.944 1.00 0.00 H new ATOM 0 HB2 MET p 1 -6.539 23.712 0.778 1.00 0.00 H new ATOM 0 HB3 MET p 1 -7.824 24.821 1.214 1.00 0.00 H new ATOM 0 HG2 MET p 1 -6.138 26.465 2.010 1.00 0.00 H new ATOM 0 HG3 MET p 1 -4.851 25.356 1.581 1.00 0.00 H new ATOM 0 HE1 MET p 1 -4.564 28.159 -1.179 1.00 0.00 H new ATOM 0 HE2 MET p 1 -5.022 28.375 0.527 1.00 0.00 H new ATOM 0 HE3 MET p 1 -3.708 27.256 0.094 1.00 0.00 H new ATOM 20 N GLN p 2 -5.156 23.129 4.478 1.00 0.00 N ATOM 21 CA GLN p 2 -3.964 22.440 4.934 1.00 0.00 C ATOM 22 C GLN p 2 -4.289 21.370 5.988 1.00 0.00 C ATOM 23 O GLN p 2 -3.411 20.631 6.431 1.00 0.00 O ATOM 24 CB GLN p 2 -3.026 23.479 5.532 1.00 0.00 C ATOM 25 CG GLN p 2 -2.198 24.226 4.502 1.00 0.00 C ATOM 26 CD GLN p 2 -1.044 24.988 5.124 1.00 0.00 C ATOM 27 OE1 GLN p 2 0.055 24.457 5.275 1.00 0.00 O ATOM 28 NE2 GLN p 2 -1.291 26.241 5.487 1.00 0.00 N ATOM 0 H GLN p 2 -5.633 23.654 5.211 1.00 0.00 H new ATOM 0 HA GLN p 2 -3.503 21.930 4.089 1.00 0.00 H new ATOM 0 HB2 GLN p 2 -3.613 24.198 6.103 1.00 0.00 H new ATOM 0 HB3 GLN p 2 -2.355 22.986 6.235 1.00 0.00 H new ATOM 0 HG2 GLN p 2 -1.809 23.518 3.771 1.00 0.00 H new ATOM 0 HG3 GLN p 2 -2.839 24.922 3.961 1.00 0.00 H new ATOM 0 HE21 GLN p 2 -2.218 26.640 5.343 1.00 0.00 H new ATOM 0 HE22 GLN p 2 -0.553 26.804 5.910 1.00 0.00 H new ATOM 37 N ALA p 3 -5.555 21.301 6.377 1.00 0.00 N ATOM 38 CA ALA p 3 -6.016 20.367 7.406 1.00 0.00 C ATOM 39 C ALA p 3 -6.504 19.053 6.822 1.00 0.00 C ATOM 40 O ALA p 3 -6.233 17.985 7.358 1.00 0.00 O ATOM 41 CB ALA p 3 -7.103 21.012 8.256 1.00 0.00 C ATOM 0 H ALA p 3 -6.294 21.889 5.991 1.00 0.00 H new ATOM 0 HA ALA p 3 -5.158 20.133 8.037 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -7.437 20.306 9.017 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -6.706 21.905 8.738 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.946 21.287 7.622 1.00 0.00 H new ATOM 47 N LEU p 4 -7.267 19.183 5.746 1.00 0.00 N ATOM 48 CA LEU p 4 -7.876 18.083 5.033 1.00 0.00 C ATOM 49 C LEU p 4 -7.016 17.675 3.849 1.00 0.00 C ATOM 50 O LEU p 4 -6.684 16.509 3.678 1.00 0.00 O ATOM 51 CB LEU p 4 -9.310 18.484 4.595 1.00 0.00 C ATOM 52 CG LEU p 4 -10.211 17.379 3.998 1.00 0.00 C ATOM 53 CD1 LEU p 4 -10.041 17.312 2.490 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.914 16.025 4.626 1.00 0.00 C ATOM 0 H LEU p 4 -7.483 20.092 5.336 1.00 0.00 H new ATOM 0 HA LEU p 4 -7.949 17.216 5.689 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.821 18.903 5.462 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.225 19.283 3.858 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.247 17.634 4.224 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.682 16.529 2.086 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.317 18.270 2.050 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -9.001 17.089 2.251 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.564 15.269 4.185 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.873 15.760 4.443 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.092 16.075 5.700 1.00 0.00 H new ATOM 66 N GLU p 5 -6.681 18.686 3.048 1.00 0.00 N ATOM 67 CA GLU p 5 -5.871 18.541 1.823 1.00 0.00 C ATOM 68 C GLU p 5 -4.443 18.134 2.127 1.00 0.00 C ATOM 69 O GLU p 5 -3.813 17.446 1.328 1.00 0.00 O ATOM 70 CB GLU p 5 -5.847 19.841 1.013 1.00 0.00 C ATOM 71 CG GLU p 5 -7.128 20.655 1.096 1.00 0.00 C ATOM 72 CD GLU p 5 -7.760 20.900 -0.261 1.00 0.00 C ATOM 73 OE1 GLU p 5 -7.230 21.741 -1.019 1.00 0.00 O ATOM 74 OE2 GLU p 5 -8.783 20.249 -0.565 1.00 0.00 O ATOM 0 H GLU p 5 -6.966 19.648 3.229 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.346 17.752 1.240 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -5.017 20.456 1.360 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.651 19.600 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.842 20.136 1.735 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.914 21.613 1.570 1.00 0.00 H new ATOM 81 N LYS p 6 -3.949 18.589 3.272 1.00 0.00 N ATOM 82 CA LYS p 6 -2.591 18.259 3.727 1.00 0.00 C ATOM 83 C LYS p 6 -2.614 16.996 4.574 1.00 0.00 C ATOM 84 O LYS p 6 -1.569 16.429 4.878 1.00 0.00 O ATOM 85 CB LYS p 6 -1.946 19.405 4.492 1.00 0.00 C ATOM 86 CG LYS p 6 -1.114 20.333 3.615 1.00 0.00 C ATOM 87 CD LYS p 6 -0.154 21.178 4.438 1.00 0.00 C ATOM 88 CE LYS p 6 0.801 21.956 3.545 1.00 0.00 C ATOM 89 NZ LYS p 6 1.888 22.609 4.326 1.00 0.00 N ATOM 0 H LYS p 6 -4.467 19.192 3.911 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.982 18.085 2.840 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.726 19.986 4.984 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.311 18.995 5.277 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.551 19.742 2.893 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.776 20.985 3.046 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -0.719 21.871 5.061 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.415 20.536 5.110 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.238 21.282 2.808 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.245 22.714 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.623 22.954 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 1.497 23.410 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 2.304 21.920 4.985 1.00 0.00 H new ATOM 103 N GLU p 7 -3.830 16.597 4.962 1.00 0.00 N ATOM 104 CA GLU p 7 -4.091 15.364 5.698 1.00 0.00 C ATOM 105 C GLU p 7 -4.314 14.282 4.642 1.00 0.00 C ATOM 106 O GLU p 7 -4.185 13.085 4.884 1.00 0.00 O ATOM 107 CB GLU p 7 -5.325 15.560 6.584 1.00 0.00 C ATOM 108 CG GLU p 7 -6.171 14.318 6.811 1.00 0.00 C ATOM 109 CD GLU p 7 -6.286 13.939 8.274 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.202 14.454 8.950 1.00 0.00 O ATOM 111 OE2 GLU p 7 -5.462 13.127 8.745 1.00 0.00 O ATOM 0 H GLU p 7 -4.674 17.136 4.767 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.268 15.082 6.355 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -4.999 15.938 7.553 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -5.954 16.330 6.136 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.169 14.486 6.405 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -5.738 13.484 6.258 1.00 0.00 H new ATOM 118 N LEU p 8 -4.661 14.811 3.471 1.00 0.00 N ATOM 119 CA LEU p 8 -4.905 14.102 2.236 1.00 0.00 C ATOM 120 C LEU p 8 -3.579 14.010 1.518 1.00 0.00 C ATOM 121 O LEU p 8 -3.295 13.043 0.826 1.00 0.00 O ATOM 122 CB LEU p 8 -5.880 14.928 1.399 1.00 0.00 C ATOM 123 CG LEU p 8 -6.700 14.221 0.323 1.00 0.00 C ATOM 124 CD1 LEU p 8 -7.601 15.252 -0.301 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.820 13.588 -0.747 1.00 0.00 C ATOM 0 H LEU p 8 -4.785 15.818 3.362 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.322 13.110 2.408 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.578 15.410 2.084 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.311 15.721 0.914 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.270 13.411 0.779 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -8.206 14.784 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -8.254 15.674 0.463 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.996 16.046 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.448 13.097 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -5.222 14.361 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -5.160 12.853 -0.287 1.00 0.00 H new ATOM 137 N ALA p 9 -2.818 15.101 1.674 1.00 0.00 N ATOM 138 CA ALA p 9 -1.458 15.233 1.146 1.00 0.00 C ATOM 139 C ALA p 9 -0.521 14.465 2.065 1.00 0.00 C ATOM 140 O ALA p 9 0.595 14.095 1.691 1.00 0.00 O ATOM 141 CB ALA p 9 -1.017 16.684 1.020 1.00 0.00 C ATOM 0 H ALA p 9 -3.137 15.928 2.179 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.432 14.823 0.136 1.00 0.00 H new ATOM 0 HB1 ALA p 9 -0.002 16.723 0.624 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.690 17.212 0.345 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.042 17.158 2.001 1.00 0.00 H new ATOM 147 N GLN p 10 -1.029 14.245 3.290 1.00 0.00 N ATOM 148 CA GLN p 10 -0.363 13.464 4.312 1.00 0.00 C ATOM 149 C GLN p 10 -0.822 12.034 4.113 1.00 0.00 C ATOM 150 O GLN p 10 -0.100 11.099 4.398 1.00 0.00 O ATOM 151 CB GLN p 10 -0.725 13.999 5.702 1.00 0.00 C ATOM 152 CG GLN p 10 -0.805 12.962 6.812 1.00 0.00 C ATOM 153 CD GLN p 10 0.305 13.102 7.834 1.00 0.00 C ATOM 154 OE1 GLN p 10 1.374 12.506 7.694 1.00 0.00 O ATOM 155 NE2 GLN p 10 0.056 13.890 8.873 1.00 0.00 N ATOM 0 H GLN p 10 -1.930 14.617 3.589 1.00 0.00 H new ATOM 0 HA GLN p 10 0.723 13.524 4.236 1.00 0.00 H new ATOM 0 HB2 GLN p 10 0.013 14.750 5.985 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.687 14.507 5.636 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -1.768 13.050 7.315 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -0.764 11.965 6.374 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -0.844 14.365 8.949 1.00 0.00 H new ATOM 0 HE22 GLN p 10 0.764 14.021 9.595 1.00 0.00 H new ATOM 164 N ASN p 11 -2.053 11.937 3.590 1.00 0.00 N ATOM 165 CA ASN p 11 -2.711 10.675 3.233 1.00 0.00 C ATOM 166 C ASN p 11 -2.157 10.256 1.892 1.00 0.00 C ATOM 167 O ASN p 11 -2.232 9.093 1.498 1.00 0.00 O ATOM 168 CB ASN p 11 -4.233 10.828 3.144 1.00 0.00 C ATOM 169 CG ASN p 11 -4.973 9.527 3.396 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.246 9.165 4.541 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.310 8.821 2.323 1.00 0.00 N ATOM 0 H ASN p 11 -2.632 12.755 3.399 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.516 9.928 4.002 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.561 11.573 3.869 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.498 11.206 2.156 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -5.815 7.941 2.429 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -5.064 9.158 1.392 1.00 0.00 H new ATOM 178 N GLU p 12 -1.618 11.271 1.202 1.00 0.00 N ATOM 179 CA GLU p 12 -0.951 11.149 -0.046 1.00 0.00 C ATOM 180 C GLU p 12 0.460 10.736 0.284 1.00 0.00 C ATOM 181 O GLU p 12 1.097 9.996 -0.437 1.00 0.00 O ATOM 182 CB GLU p 12 -0.957 12.509 -0.692 1.00 0.00 C ATOM 183 CG GLU p 12 -0.320 12.543 -2.036 1.00 0.00 C ATOM 184 CD GLU p 12 -1.275 12.925 -3.149 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.402 14.136 -3.431 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.894 12.016 -3.739 1.00 0.00 O ATOM 0 H GLU p 12 -1.652 12.233 1.538 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.417 10.429 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.987 12.853 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.441 13.213 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.508 13.252 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.104 11.563 -2.253 1.00 0.00 H new ATOM 193 N TRP p 13 0.887 11.298 1.413 1.00 0.00 N ATOM 194 CA TRP p 13 2.188 11.045 2.038 1.00 0.00 C ATOM 195 C TRP p 13 2.126 9.710 2.765 1.00 0.00 C ATOM 196 O TRP p 13 3.154 9.128 3.090 1.00 0.00 O ATOM 197 CB TRP p 13 2.570 12.167 3.006 1.00 0.00 C ATOM 198 CG TRP p 13 4.054 12.332 3.182 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.880 13.119 2.433 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.887 11.697 4.166 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.172 13.016 2.887 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.203 12.151 3.950 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.653 10.791 5.210 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.275 11.731 4.734 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.718 10.378 5.986 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.014 10.848 5.745 1.00 0.00 C ATOM 0 H TRP p 13 0.320 11.964 1.937 1.00 0.00 H new ATOM 0 HA TRP p 13 2.956 11.013 1.265 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.149 13.105 2.645 1.00 0.00 H new ATOM 0 HB3 TRP p 13 2.118 11.967 3.977 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.563 13.734 1.603 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.978 13.504 2.496 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.657 10.422 5.404 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.277 12.090 4.550 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.548 9.680 6.793 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.825 10.506 6.371 1.00 0.00 H new ATOM 217 N GLU p 14 0.883 9.281 3.048 1.00 0.00 N ATOM 218 CA GLU p 14 0.599 7.961 3.646 1.00 0.00 C ATOM 219 C GLU p 14 0.379 7.036 2.493 1.00 0.00 C ATOM 220 O GLU p 14 0.367 5.820 2.627 1.00 0.00 O ATOM 221 CB GLU p 14 -0.636 7.944 4.538 1.00 0.00 C ATOM 222 CG GLU p 14 -0.573 8.986 5.610 1.00 0.00 C ATOM 223 CD GLU p 14 -1.022 8.485 6.970 1.00 0.00 C ATOM 224 OE1 GLU p 14 -0.170 7.973 7.725 1.00 0.00 O ATOM 225 OE2 GLU p 14 -2.227 8.604 7.279 1.00 0.00 O ATOM 0 H GLU p 14 0.047 9.838 2.869 1.00 0.00 H new ATOM 0 HA GLU p 14 1.431 7.674 4.289 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.525 8.106 3.928 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -0.738 6.960 4.996 1.00 0.00 H new ATOM 0 HG2 GLU p 14 0.450 9.355 5.687 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.196 9.832 5.320 1.00 0.00 H new ATOM 232 N LEU p 15 0.129 7.706 1.372 1.00 0.00 N ATOM 233 CA LEU p 15 -0.034 7.088 0.063 1.00 0.00 C ATOM 234 C LEU p 15 1.354 7.000 -0.579 1.00 0.00 C ATOM 235 O LEU p 15 1.596 6.200 -1.478 1.00 0.00 O ATOM 236 CB LEU p 15 -1.004 7.899 -0.822 1.00 0.00 C ATOM 237 CG LEU p 15 -1.392 7.303 -2.190 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.474 7.851 -3.266 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.332 5.786 -2.165 1.00 0.00 C ATOM 0 H LEU p 15 0.032 8.721 1.350 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.468 6.094 0.168 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.920 8.061 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.560 8.879 -0.997 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.419 7.591 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.751 7.427 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.567 8.936 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.557 7.584 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.611 5.395 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.319 5.466 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -2.023 5.407 -1.412 1.00 0.00 H new ATOM 251 N GLN p 16 2.227 7.883 -0.083 1.00 0.00 N ATOM 252 CA GLN p 16 3.649 7.969 -0.462 1.00 0.00 C ATOM 253 C GLN p 16 4.373 7.072 0.490 1.00 0.00 C ATOM 254 O GLN p 16 5.456 6.568 0.223 1.00 0.00 O ATOM 255 CB GLN p 16 4.216 9.380 -0.332 1.00 0.00 C ATOM 256 CG GLN p 16 3.503 10.375 -1.200 1.00 0.00 C ATOM 257 CD GLN p 16 4.433 11.167 -2.098 1.00 0.00 C ATOM 258 OE1 GLN p 16 4.717 10.765 -3.226 1.00 0.00 O ATOM 259 NE2 GLN p 16 4.913 12.301 -1.601 1.00 0.00 N ATOM 0 H GLN p 16 1.960 8.579 0.613 1.00 0.00 H new ATOM 0 HA GLN p 16 3.765 7.685 -1.508 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.150 9.699 0.708 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.274 9.367 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN p 16 2.774 9.850 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN p 16 2.947 11.066 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.651 12.597 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.543 12.876 -2.160 1.00 0.00 H new ATOM 268 N ALA p 17 3.719 6.963 1.642 1.00 0.00 N ATOM 269 CA ALA p 17 4.128 6.078 2.734 1.00 0.00 C ATOM 270 C ALA p 17 3.484 4.725 2.494 1.00 0.00 C ATOM 271 O ALA p 17 3.886 3.726 3.080 1.00 0.00 O ATOM 272 CB ALA p 17 3.755 6.613 4.108 1.00 0.00 C ATOM 0 H ALA p 17 2.874 7.496 1.849 1.00 0.00 H new ATOM 0 HA ALA p 17 5.215 6.004 2.735 1.00 0.00 H new ATOM 0 HB1 ALA p 17 4.085 5.911 4.874 1.00 0.00 H new ATOM 0 HB2 ALA p 17 4.238 7.577 4.267 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.674 6.735 4.170 1.00 0.00 H new ATOM 278 N LEU p 18 2.446 4.746 1.632 1.00 0.00 N ATOM 279 CA LEU p 18 1.749 3.550 1.177 1.00 0.00 C ATOM 280 C LEU p 18 2.479 3.096 -0.070 1.00 0.00 C ATOM 281 O LEU p 18 2.412 1.940 -0.473 1.00 0.00 O ATOM 282 CB LEU p 18 0.266 3.826 0.854 1.00 0.00 C ATOM 283 CG LEU p 18 -0.623 2.612 0.507 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.706 2.454 -0.999 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.092 1.338 1.138 1.00 0.00 C ATOM 0 H LEU p 18 2.073 5.608 1.235 1.00 0.00 H new ATOM 0 HA LEU p 18 1.750 2.790 1.959 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.177 4.334 1.711 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.228 4.522 0.016 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.619 2.792 0.910 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.334 1.597 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -1.137 3.355 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.294 2.297 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.741 0.503 0.874 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.916 1.144 0.772 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.069 1.451 2.222 1.00 0.00 H new ATOM 297 N GLU p 19 3.142 4.088 -0.673 1.00 0.00 N ATOM 298 CA GLU p 19 3.979 3.943 -1.823 1.00 0.00 C ATOM 299 C GLU p 19 5.333 3.467 -1.340 1.00 0.00 C ATOM 300 O GLU p 19 6.024 2.706 -2.003 1.00 0.00 O ATOM 301 CB GLU p 19 4.103 5.310 -2.439 1.00 0.00 C ATOM 302 CG GLU p 19 4.817 5.325 -3.740 1.00 0.00 C ATOM 303 CD GLU p 19 3.929 5.684 -4.915 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.338 4.762 -5.516 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.822 6.887 -5.233 1.00 0.00 O ATOM 0 H GLU p 19 3.094 5.051 -0.341 1.00 0.00 H new ATOM 0 HA GLU p 19 3.581 3.235 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.105 5.726 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.626 5.965 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU p 19 5.639 6.038 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU p 19 5.257 4.343 -3.915 1.00 0.00 H new ATOM 312 N LYS p 20 5.687 4.031 -0.189 1.00 0.00 N ATOM 313 CA LYS p 20 6.906 3.707 0.552 1.00 0.00 C ATOM 314 C LYS p 20 6.688 2.416 1.327 1.00 0.00 C ATOM 315 O LYS p 20 7.640 1.765 1.759 1.00 0.00 O ATOM 316 CB LYS p 20 7.272 4.838 1.505 1.00 0.00 C ATOM 317 CG LYS p 20 8.685 5.363 1.340 1.00 0.00 C ATOM 318 CD LYS p 20 9.597 4.880 2.457 1.00 0.00 C ATOM 319 CE LYS p 20 11.013 5.404 2.285 1.00 0.00 C ATOM 320 NZ LYS p 20 11.914 4.945 3.379 1.00 0.00 N ATOM 0 H LYS p 20 5.120 4.745 0.268 1.00 0.00 H new ATOM 0 HA LYS p 20 7.729 3.578 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.572 5.661 1.359 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.144 4.489 2.530 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.084 5.039 0.379 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.670 6.453 1.328 1.00 0.00 H new ATOM 0 HD2 LYS p 20 9.201 5.207 3.418 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.610 3.790 2.472 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.409 5.071 1.326 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.996 6.494 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.897 4.943 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.829 5.588 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.645 3.983 3.669 1.00 0.00 H new ATOM 334 N GLU p 21 5.399 2.082 1.500 1.00 0.00 N ATOM 335 CA GLU p 21 4.964 0.855 2.126 1.00 0.00 C ATOM 336 C GLU p 21 4.879 -0.139 0.988 1.00 0.00 C ATOM 337 O GLU p 21 5.085 -1.341 1.154 1.00 0.00 O ATOM 338 CB GLU p 21 3.623 1.059 2.832 1.00 0.00 C ATOM 339 CG GLU p 21 2.750 -0.174 2.933 1.00 0.00 C ATOM 340 CD GLU p 21 2.620 -0.693 4.352 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.741 -0.197 5.087 1.00 0.00 O ATOM 342 OE2 GLU p 21 3.397 -1.596 4.727 1.00 0.00 O ATOM 0 H GLU p 21 4.628 2.678 1.198 1.00 0.00 H new ATOM 0 HA GLU p 21 5.643 0.505 2.903 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.814 1.432 3.838 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.068 1.835 2.305 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.758 0.057 2.544 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.165 -0.959 2.301 1.00 0.00 H new ATOM 349 N LEU p 22 4.561 0.437 -0.185 1.00 0.00 N ATOM 350 CA LEU p 22 4.531 -0.282 -1.442 1.00 0.00 C ATOM 351 C LEU p 22 5.980 -0.535 -1.813 1.00 0.00 C ATOM 352 O LEU p 22 6.355 -1.623 -2.249 1.00 0.00 O ATOM 353 CB LEU p 22 3.858 0.591 -2.505 1.00 0.00 C ATOM 354 CG LEU p 22 3.307 -0.089 -3.758 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.641 0.971 -4.600 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.405 -0.772 -4.558 1.00 0.00 C ATOM 0 H LEU p 22 4.318 1.424 -0.273 1.00 0.00 H new ATOM 0 HA LEU p 22 3.974 -1.216 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.036 1.123 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.580 1.342 -2.825 1.00 0.00 H new ATOM 0 HG LEU p 22 2.597 -0.862 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.236 0.516 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU p 22 1.832 1.432 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.372 1.732 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU p 22 3.973 -1.243 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.144 -0.033 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU p 22 4.887 -1.530 -3.941 1.00 0.00 H new ATOM 368 N ALA p 23 6.774 0.523 -1.600 1.00 0.00 N ATOM 369 CA ALA p 23 8.224 0.494 -1.834 1.00 0.00 C ATOM 370 C ALA p 23 8.923 -0.330 -0.755 1.00 0.00 C ATOM 371 O ALA p 23 10.076 -0.710 -0.912 1.00 0.00 O ATOM 372 CB ALA p 23 8.812 1.898 -1.886 1.00 0.00 C ATOM 0 H ALA p 23 6.430 1.421 -1.261 1.00 0.00 H new ATOM 0 HA ALA p 23 8.391 0.025 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA p 23 9.886 1.836 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.344 2.459 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.627 2.405 -0.939 1.00 0.00 H new ATOM 378 N GLN p 24 8.180 -0.600 0.333 1.00 0.00 N ATOM 379 CA GLN p 24 8.632 -1.385 1.460 1.00 0.00 C ATOM 380 C GLN p 24 8.594 -2.877 1.115 1.00 0.00 C ATOM 381 O GLN p 24 9.337 -3.662 1.671 1.00 0.00 O ATOM 382 CB GLN p 24 7.709 -1.069 2.630 1.00 0.00 C ATOM 383 CG GLN p 24 7.810 -2.033 3.777 1.00 0.00 C ATOM 384 CD GLN p 24 8.027 -1.353 5.114 1.00 0.00 C ATOM 385 OE1 GLN p 24 7.072 -1.022 5.818 1.00 0.00 O ATOM 386 NE2 GLN p 24 9.288 -1.137 5.471 1.00 0.00 N ATOM 0 H GLN p 24 7.224 -0.262 0.440 1.00 0.00 H new ATOM 0 HA GLN p 24 9.662 -1.141 1.718 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.933 -0.066 2.993 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.680 -1.056 2.272 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.898 -2.628 3.824 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.632 -2.724 3.591 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.049 -1.428 4.857 1.00 0.00 H new ATOM 0 HE22 GLN p 24 9.496 -0.680 6.359 1.00 0.00 H new ATOM 395 N LEU p 25 7.696 -3.205 0.188 1.00 0.00 N ATOM 396 CA LEU p 25 7.464 -4.558 -0.336 1.00 0.00 C ATOM 397 C LEU p 25 8.487 -4.860 -1.397 1.00 0.00 C ATOM 398 O LEU p 25 8.832 -6.005 -1.663 1.00 0.00 O ATOM 399 CB LEU p 25 6.072 -4.624 -0.965 1.00 0.00 C ATOM 400 CG LEU p 25 4.869 -4.896 -0.037 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.284 -5.125 1.410 1.00 0.00 C ATOM 402 CD2 LEU p 25 3.901 -3.734 -0.126 1.00 0.00 C ATOM 0 H LEU p 25 7.083 -2.510 -0.239 1.00 0.00 H new ATOM 0 HA LEU p 25 7.542 -5.281 0.476 1.00 0.00 H new ATOM 0 HB2 LEU p 25 5.892 -3.679 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU p 25 6.087 -5.402 -1.728 1.00 0.00 H new ATOM 0 HG LEU p 25 4.390 -5.815 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.398 -5.311 2.017 1.00 0.00 H new ATOM 0 HD12 LEU p 25 5.950 -5.986 1.466 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.801 -4.242 1.784 1.00 0.00 H new ATOM 0 HD21 LEU p 25 3.049 -3.920 0.527 1.00 0.00 H new ATOM 0 HD22 LEU p 25 4.403 -2.818 0.184 1.00 0.00 H new ATOM 0 HD23 LEU p 25 3.554 -3.627 -1.154 1.00 0.00 H new ATOM 414 N GLU p 26 8.898 -3.765 -2.004 1.00 0.00 N ATOM 415 CA GLU p 26 9.918 -3.688 -3.025 1.00 0.00 C ATOM 416 C GLU p 26 11.238 -3.610 -2.308 1.00 0.00 C ATOM 417 O GLU p 26 12.290 -3.899 -2.862 1.00 0.00 O ATOM 418 CB GLU p 26 9.704 -2.451 -3.877 1.00 0.00 C ATOM 419 CG GLU p 26 8.283 -2.331 -4.378 1.00 0.00 C ATOM 420 CD GLU p 26 8.195 -2.091 -5.872 1.00 0.00 C ATOM 421 OE1 GLU p 26 8.204 -0.912 -6.286 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.115 -3.082 -6.629 1.00 0.00 O ATOM 0 H GLU p 26 8.503 -2.851 -1.783 1.00 0.00 H new ATOM 0 HA GLU p 26 9.885 -4.554 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU p 26 9.956 -1.565 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU p 26 10.385 -2.478 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU p 26 7.739 -3.243 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU p 26 7.788 -1.512 -3.855 1.00 0.00 H new ATOM 429 N LYS p 27 11.114 -3.148 -1.058 1.00 0.00 N ATOM 430 CA LYS p 27 12.225 -3.073 -0.104 1.00 0.00 C ATOM 431 C LYS p 27 12.331 -4.413 0.595 1.00 0.00 C ATOM 432 O LYS p 27 13.424 -4.853 0.960 1.00 0.00 O ATOM 433 CB LYS p 27 12.048 -1.960 0.925 1.00 0.00 C ATOM 434 CG LYS p 27 12.639 -0.628 0.492 1.00 0.00 C ATOM 435 CD LYS p 27 12.750 0.339 1.660 1.00 0.00 C ATOM 436 CE LYS p 27 13.355 1.665 1.229 1.00 0.00 C ATOM 437 NZ LYS p 27 13.449 2.628 2.361 1.00 0.00 N ATOM 0 H LYS p 27 10.229 -2.812 -0.677 1.00 0.00 H new ATOM 0 HA LYS p 27 13.136 -2.839 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS p 27 10.985 -1.828 1.125 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.513 -2.266 1.862 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.626 -0.791 0.058 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.016 -0.189 -0.287 1.00 0.00 H new ATOM 0 HD2 LYS p 27 11.762 0.510 2.087 1.00 0.00 H new ATOM 0 HD3 LYS p 27 13.364 -0.105 2.444 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.349 1.493 0.816 1.00 0.00 H new ATOM 0 HE3 LYS p 27 12.749 2.099 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 13.638 3.581 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 12.552 2.633 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 14.222 2.343 2.996 1.00 0.00 H new ATOM 451 N GLU p 28 11.162 -5.052 0.788 1.00 0.00 N ATOM 452 CA GLU p 28 11.112 -6.416 1.352 1.00 0.00 C ATOM 453 C GLU p 28 11.586 -7.322 0.256 1.00 0.00 C ATOM 454 O GLU p 28 12.255 -8.332 0.470 1.00 0.00 O ATOM 455 CB GLU p 28 9.711 -6.861 1.777 1.00 0.00 C ATOM 456 CG GLU p 28 9.071 -5.964 2.799 1.00 0.00 C ATOM 457 CD GLU p 28 8.843 -6.649 4.132 1.00 0.00 C ATOM 458 OE1 GLU p 28 9.772 -6.643 4.968 1.00 0.00 O ATOM 459 OE2 GLU p 28 7.739 -7.192 4.339 1.00 0.00 O ATOM 0 H GLU p 28 10.250 -4.653 0.565 1.00 0.00 H new ATOM 0 HA GLU p 28 11.723 -6.447 2.254 1.00 0.00 H new ATOM 0 HB2 GLU p 28 9.071 -6.905 0.895 1.00 0.00 H new ATOM 0 HB3 GLU p 28 9.768 -7.872 2.180 1.00 0.00 H new ATOM 0 HG2 GLU p 28 9.702 -5.088 2.951 1.00 0.00 H new ATOM 0 HG3 GLU p 28 8.116 -5.607 2.413 1.00 0.00 H new ATOM 466 N LEU p 29 11.202 -6.899 -0.943 1.00 0.00 N ATOM 467 CA LEU p 29 11.597 -7.557 -2.171 1.00 0.00 C ATOM 468 C LEU p 29 13.087 -7.351 -2.407 1.00 0.00 C ATOM 469 O LEU p 29 13.808 -8.274 -2.796 1.00 0.00 O ATOM 470 CB LEU p 29 10.825 -6.947 -3.332 1.00 0.00 C ATOM 471 CG LEU p 29 10.461 -7.846 -4.511 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.882 -6.968 -5.594 1.00 0.00 C ATOM 473 CD2 LEU p 29 11.664 -8.613 -5.037 1.00 0.00 C ATOM 0 H LEU p 29 10.604 -6.085 -1.085 1.00 0.00 H new ATOM 0 HA LEU p 29 11.383 -8.623 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU p 29 9.900 -6.530 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.410 -6.113 -3.718 1.00 0.00 H new ATOM 0 HG LEU p 29 9.737 -8.593 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.611 -7.581 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU p 29 8.995 -6.461 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.622 -6.227 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.358 -9.239 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.427 -7.909 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.070 -9.241 -4.244 1.00 0.00 H new ATOM 485 N GLN p 30 13.520 -6.111 -2.166 1.00 0.00 N ATOM 486 CA GLN p 30 14.908 -5.707 -2.337 1.00 0.00 C ATOM 487 C GLN p 30 15.853 -6.332 -1.310 1.00 0.00 C ATOM 488 O GLN p 30 16.632 -7.241 -1.609 1.00 0.00 O ATOM 489 CB GLN p 30 14.946 -4.191 -2.194 1.00 0.00 C ATOM 490 CG GLN p 30 16.003 -3.517 -3.001 1.00 0.00 C ATOM 491 CD GLN p 30 17.326 -3.387 -2.268 1.00 0.00 C ATOM 492 OE1 GLN p 30 18.193 -4.255 -2.370 1.00 0.00 O ATOM 493 NE2 GLN p 30 17.483 -2.301 -1.521 1.00 0.00 N ATOM 0 H GLN p 30 12.910 -5.359 -1.845 1.00 0.00 H new ATOM 0 HA GLN p 30 15.251 -6.049 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN p 30 13.975 -3.788 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN p 30 15.096 -3.942 -1.143 1.00 0.00 H new ATOM 0 HG2 GLN p 30 16.160 -4.078 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN p 30 15.655 -2.524 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN p 30 16.737 -1.608 -1.466 1.00 0.00 H new ATOM 0 HE22 GLN p 30 18.350 -2.160 -1.002 1.00 0.00 H new ATOM 502 N ALA p 31 15.736 -5.805 -0.112 1.00 0.00 N ATOM 503 CA ALA p 31 16.571 -6.189 1.038 1.00 0.00 C ATOM 504 C ALA p 31 16.161 -7.502 1.722 1.00 0.00 C ATOM 505 O ALA p 31 17.020 -8.354 1.972 1.00 0.00 O ATOM 506 CB ALA p 31 16.589 -5.056 2.056 1.00 0.00 C ATOM 0 H ALA p 31 15.050 -5.083 0.110 1.00 0.00 H new ATOM 0 HA ALA p 31 17.567 -6.371 0.635 1.00 0.00 H new ATOM 0 HB1 ALA p 31 17.207 -5.341 2.907 1.00 0.00 H new ATOM 0 HB2 ALA p 31 16.999 -4.158 1.594 1.00 0.00 H new ATOM 0 HB3 ALA p 31 15.573 -4.857 2.397 1.00 0.00 H new ATOM 512 N TRP p 32 14.863 -7.670 2.022 1.00 0.00 N ATOM 513 CA TRP p 32 14.374 -8.875 2.724 1.00 0.00 C ATOM 514 C TRP p 32 14.350 -10.134 1.831 1.00 0.00 C ATOM 515 O TRP p 32 14.199 -11.247 2.345 1.00 0.00 O ATOM 516 CB TRP p 32 12.984 -8.613 3.323 1.00 0.00 C ATOM 517 CG TRP p 32 12.619 -9.547 4.446 1.00 0.00 C ATOM 518 CD1 TRP p 32 11.974 -10.746 4.332 1.00 0.00 C ATOM 519 CD2 TRP p 32 12.876 -9.361 5.848 1.00 0.00 C ATOM 520 NE1 TRP p 32 11.816 -11.317 5.571 1.00 0.00 N ATOM 521 CE2 TRP p 32 12.360 -10.489 6.517 1.00 0.00 C ATOM 522 CE3 TRP p 32 13.494 -8.356 6.605 1.00 0.00 C ATOM 523 CZ2 TRP p 32 12.441 -10.637 7.900 1.00 0.00 C ATOM 524 CZ3 TRP p 32 13.572 -8.507 7.977 1.00 0.00 C ATOM 525 CH2 TRP p 32 13.049 -9.639 8.612 1.00 0.00 C ATOM 0 H TRP p 32 14.135 -6.993 1.793 1.00 0.00 H new ATOM 0 HA TRP p 32 15.085 -9.080 3.524 1.00 0.00 H new ATOM 0 HB2 TRP p 32 12.944 -7.587 3.689 1.00 0.00 H new ATOM 0 HB3 TRP p 32 12.237 -8.699 2.534 1.00 0.00 H new ATOM 0 HD1 TRP p 32 11.637 -11.181 3.403 1.00 0.00 H new ATOM 0 HE1 TRP p 32 11.366 -12.213 5.757 1.00 0.00 H new ATOM 0 HE3 TRP p 32 13.902 -7.479 6.125 1.00 0.00 H new ATOM 0 HZ2 TRP p 32 12.038 -11.509 8.393 1.00 0.00 H new ATOM 0 HZ3 TRP p 32 14.045 -7.738 8.569 1.00 0.00 H new ATOM 0 HH2 TRP p 32 13.127 -9.727 9.686 1.00 0.00 H new ATOM 536 N ASN p 33 14.498 -9.955 0.514 1.00 0.00 N ATOM 537 CA ASN p 33 14.506 -11.084 -0.419 1.00 0.00 C ATOM 538 C ASN p 33 15.842 -11.185 -1.145 1.00 0.00 C ATOM 539 O ASN p 33 16.375 -10.181 -1.627 1.00 0.00 O ATOM 540 CB ASN p 33 13.365 -10.967 -1.431 1.00 0.00 C ATOM 541 CG ASN p 33 12.074 -11.578 -0.922 1.00 0.00 C ATOM 542 OD1 ASN p 33 11.837 -12.776 -1.084 1.00 0.00 O ATOM 543 ND2 ASN p 33 11.230 -10.760 -0.307 1.00 0.00 N ATOM 0 H ASN p 33 14.613 -9.043 0.073 1.00 0.00 H new ATOM 0 HA ASN p 33 14.360 -11.993 0.164 1.00 0.00 H new ATOM 0 HB2 ASN p 33 13.198 -9.916 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN p 33 13.655 -11.459 -2.359 1.00 0.00 H new ATOM 0 HD21 ASN p 33 10.345 -11.117 0.053 1.00 0.00 H new ATOM 0 HD22 ASN p 33 11.466 -9.774 -0.194 1.00 0.00 H new ATOM 550 N CYS p 34 16.370 -12.410 -1.213 1.00 0.00 N ATOM 551 CA CYS p 34 17.647 -12.679 -1.873 1.00 0.00 C ATOM 552 C CYS p 34 17.438 -13.480 -3.160 1.00 0.00 C ATOM 553 O CYS p 34 16.384 -14.096 -3.352 1.00 0.00 O ATOM 554 CB CYS p 34 18.578 -13.437 -0.922 1.00 0.00 C ATOM 555 SG CYS p 34 18.973 -12.538 0.597 1.00 0.00 S ATOM 0 H CYS p 34 15.926 -13.237 -0.814 1.00 0.00 H new ATOM 0 HA CYS p 34 18.106 -11.726 -2.137 1.00 0.00 H new ATOM 0 HB2 CYS p 34 18.115 -14.388 -0.659 1.00 0.00 H new ATOM 0 HB3 CYS p 34 19.505 -13.668 -1.446 1.00 0.00 H new ATOM 0 HG CYS p 34 19.762 -13.260 1.336 1.00 0.00 H new ATOM 561 N ILE p 35 18.453 -13.468 -4.037 1.00 0.00 N ATOM 562 CA ILE p 35 18.400 -14.192 -5.314 1.00 0.00 C ATOM 563 C ILE p 35 18.807 -15.675 -5.142 1.00 0.00 C ATOM 564 O ILE p 35 18.456 -16.520 -5.972 1.00 0.00 O ATOM 565 CB ILE p 35 19.277 -13.478 -6.405 1.00 0.00 C ATOM 566 CG1 ILE p 35 19.008 -14.047 -7.811 1.00 0.00 C ATOM 567 CG2 ILE p 35 20.774 -13.542 -6.083 1.00 0.00 C ATOM 568 CD1 ILE p 35 17.840 -13.394 -8.525 1.00 0.00 C ATOM 0 H ILE p 35 19.325 -12.961 -3.883 1.00 0.00 H new ATOM 0 HA ILE p 35 17.366 -14.179 -5.659 1.00 0.00 H new ATOM 0 HB ILE p 35 18.981 -12.429 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE p 35 19.905 -13.928 -8.418 1.00 0.00 H new ATOM 0 HG13 ILE p 35 18.819 -15.117 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE p 35 21.337 -13.035 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE p 35 20.962 -13.053 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE p 35 21.090 -14.584 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE p 35 17.714 -13.848 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE p 35 16.931 -13.536 -7.941 1.00 0.00 H new ATOM 0 HD13 ILE p 35 18.034 -12.328 -8.641 1.00 0.00 H new ATOM 580 N CYS p 36 19.545 -15.965 -4.061 1.00 0.00 N ATOM 581 CA CYS p 36 20.002 -17.323 -3.762 1.00 0.00 C ATOM 582 C CYS p 36 19.040 -18.025 -2.802 1.00 0.00 C ATOM 583 O CYS p 36 18.327 -17.369 -2.037 1.00 0.00 O ATOM 584 CB CYS p 36 21.409 -17.283 -3.160 1.00 0.00 C ATOM 585 SG CYS p 36 22.655 -16.544 -4.241 1.00 0.00 S ATOM 0 H CYS p 36 19.838 -15.268 -3.376 1.00 0.00 H new ATOM 0 HA CYS p 36 20.027 -17.888 -4.694 1.00 0.00 H new ATOM 0 HB2 CYS p 36 21.377 -16.723 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS p 36 21.715 -18.299 -2.912 1.00 0.00 H new ATOM 0 HG CYS p 36 23.809 -16.554 -3.643 1.00 0.00 H new ATOM 591 N ASP p 37 19.034 -19.364 -2.852 1.00 0.00 N ATOM 592 CA ASP p 37 18.163 -20.176 -1.996 1.00 0.00 C ATOM 593 C ASP p 37 18.867 -20.554 -0.693 1.00 0.00 C ATOM 594 O ASP p 37 19.965 -21.119 -0.711 1.00 0.00 O ATOM 595 CB ASP p 37 17.715 -21.442 -2.735 1.00 0.00 C ATOM 596 CG ASP p 37 16.735 -21.148 -3.855 1.00 0.00 C ATOM 597 OD1 ASP p 37 15.515 -21.138 -3.589 1.00 0.00 O ATOM 598 OD2 ASP p 37 17.188 -20.930 -4.998 1.00 0.00 O ATOM 0 H ASP p 37 19.626 -19.908 -3.480 1.00 0.00 H new ATOM 0 HA ASP p 37 17.285 -19.578 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP p 37 18.589 -21.947 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP p 37 17.254 -22.129 -2.025 1.00 0.00 H new ATOM 603 N ILE p 38 18.220 -20.230 0.432 1.00 0.00 N ATOM 604 CA ILE p 38 18.762 -20.525 1.764 1.00 0.00 C ATOM 605 C ILE p 38 17.653 -20.934 2.741 1.00 0.00 C ATOM 606 O ILE p 38 16.477 -20.630 2.519 1.00 0.00 O ATOM 607 CB ILE p 38 19.575 -19.330 2.358 1.00 0.00 C ATOM 608 CG1 ILE p 38 18.868 -17.971 2.156 1.00 0.00 C ATOM 609 CG2 ILE p 38 20.968 -19.290 1.747 1.00 0.00 C ATOM 610 CD1 ILE p 38 17.936 -17.588 3.289 1.00 0.00 C ATOM 0 H ILE p 38 17.315 -19.760 0.446 1.00 0.00 H new ATOM 0 HA ILE p 38 19.447 -21.362 1.632 1.00 0.00 H new ATOM 0 HB ILE p 38 19.648 -19.496 3.433 1.00 0.00 H new ATOM 0 HG12 ILE p 38 19.623 -17.193 2.041 1.00 0.00 H new ATOM 0 HG13 ILE p 38 18.300 -18.003 1.226 1.00 0.00 H new ATOM 0 HG21 ILE p 38 21.526 -18.454 2.168 1.00 0.00 H new ATOM 0 HG22 ILE p 38 21.489 -20.222 1.968 1.00 0.00 H new ATOM 0 HG23 ILE p 38 20.888 -19.166 0.667 1.00 0.00 H new ATOM 0 HD11 ILE p 38 17.478 -16.623 3.073 1.00 0.00 H new ATOM 0 HD12 ILE p 38 17.157 -18.344 3.391 1.00 0.00 H new ATOM 0 HD13 ILE p 38 18.501 -17.522 4.219 1.00 0.00 H new ATOM 622 N GLU p 39 18.046 -21.621 3.821 1.00 0.00 N ATOM 623 CA GLU p 39 17.103 -22.082 4.846 1.00 0.00 C ATOM 624 C GLU p 39 17.001 -21.072 5.986 1.00 0.00 C ATOM 625 O GLU p 39 18.019 -20.571 6.473 1.00 0.00 O ATOM 626 CB GLU p 39 17.529 -23.446 5.396 1.00 0.00 C ATOM 627 CG GLU p 39 17.296 -24.600 4.432 1.00 0.00 C ATOM 628 CD GLU p 39 17.725 -25.936 5.008 1.00 0.00 C ATOM 629 OE1 GLU p 39 18.900 -26.313 4.819 1.00 0.00 O ATOM 630 OE2 GLU p 39 16.885 -26.602 5.650 1.00 0.00 O ATOM 0 H GLU p 39 19.017 -21.871 4.007 1.00 0.00 H new ATOM 0 HA GLU p 39 16.123 -22.180 4.379 1.00 0.00 H new ATOM 0 HB2 GLU p 39 18.588 -23.408 5.653 1.00 0.00 H new ATOM 0 HB3 GLU p 39 16.983 -23.641 6.319 1.00 0.00 H new ATOM 0 HG2 GLU p 39 16.238 -24.643 4.172 1.00 0.00 H new ATOM 0 HG3 GLU p 39 17.844 -24.414 3.509 1.00 0.00 H new ATOM 637 N ASN p 40 15.764 -20.782 6.400 1.00 0.00 N ATOM 638 CA ASN p 40 15.502 -19.832 7.482 1.00 0.00 C ATOM 639 C ASN p 40 15.247 -20.559 8.800 1.00 0.00 C ATOM 640 O ASN p 40 14.741 -21.685 8.810 1.00 0.00 O ATOM 641 CB ASN p 40 14.303 -18.942 7.137 1.00 0.00 C ATOM 642 CG ASN p 40 14.605 -17.964 6.016 1.00 0.00 C ATOM 643 OD1 ASN p 40 14.417 -18.272 4.840 1.00 0.00 O ATOM 644 ND2 ASN p 40 15.075 -16.775 6.380 1.00 0.00 N ATOM 0 H ASN p 40 14.923 -21.196 5.998 1.00 0.00 H new ATOM 0 HA ASN p 40 16.387 -19.206 7.598 1.00 0.00 H new ATOM 0 HB2 ASN p 40 13.460 -19.570 6.849 1.00 0.00 H new ATOM 0 HB3 ASN p 40 13.999 -18.388 8.025 1.00 0.00 H new ATOM 0 HD21 ASN p 40 15.295 -16.075 5.672 1.00 0.00 H new ATOM 0 HD22 ASN p 40 15.215 -16.563 7.368 1.00 0.00 H new ATOM 651 N CYS p 41 15.603 -19.899 9.908 1.00 0.00 N ATOM 652 CA CYS p 41 15.422 -20.462 11.247 1.00 0.00 C ATOM 653 C CYS p 41 14.151 -19.918 11.900 1.00 0.00 C ATOM 654 O CYS p 41 13.689 -18.825 11.562 1.00 0.00 O ATOM 655 CB CYS p 41 16.639 -20.147 12.121 1.00 0.00 C ATOM 656 SG CYS p 41 16.612 -20.941 13.746 1.00 0.00 S ATOM 0 H CYS p 41 16.021 -18.968 9.901 1.00 0.00 H new ATOM 0 HA CYS p 41 15.322 -21.543 11.152 1.00 0.00 H new ATOM 0 HB2 CYS p 41 17.541 -20.456 11.593 1.00 0.00 H new ATOM 0 HB3 CYS p 41 16.704 -19.068 12.258 1.00 0.00 H new ATOM 0 HG CYS p 41 17.683 -20.615 14.406 1.00 0.00 H new ATOM 662 N SER p 42 13.590 -20.701 12.849 1.00 0.00 N ATOM 663 CA SER p 42 12.359 -20.347 13.593 1.00 0.00 C ATOM 664 C SER p 42 11.135 -20.225 12.671 1.00 0.00 C ATOM 665 O SER p 42 11.275 -20.050 11.457 1.00 0.00 O ATOM 666 CB SER p 42 12.550 -19.053 14.403 1.00 0.00 C ATOM 667 OG SER p 42 13.688 -19.141 15.244 1.00 0.00 O ATOM 0 H SER p 42 13.981 -21.603 13.122 1.00 0.00 H new ATOM 0 HA SER p 42 12.168 -21.167 14.285 1.00 0.00 H new ATOM 0 HB2 SER p 42 12.660 -18.208 13.724 1.00 0.00 H new ATOM 0 HB3 SER p 42 11.662 -18.863 15.006 1.00 0.00 H new ATOM 0 HG SER p 42 13.789 -18.306 15.747 1.00 0.00 H new ATOM 673 N ASN p 43 9.936 -20.320 13.269 1.00 0.00 N ATOM 674 CA ASN p 43 8.676 -20.225 12.523 1.00 0.00 C ATOM 675 C ASN p 43 8.234 -18.771 12.365 1.00 0.00 C ATOM 676 O ASN p 43 8.313 -17.985 13.313 1.00 0.00 O ATOM 677 CB ASN p 43 7.579 -21.029 13.228 1.00 0.00 C ATOM 678 CG ASN p 43 7.796 -22.528 13.127 1.00 0.00 C ATOM 679 OD1 ASN p 43 8.435 -23.133 13.987 1.00 0.00 O ATOM 680 ND2 ASN p 43 7.266 -23.133 12.070 1.00 0.00 N ATOM 0 H ASN p 43 9.816 -20.463 14.272 1.00 0.00 H new ATOM 0 HA ASN p 43 8.844 -20.641 11.530 1.00 0.00 H new ATOM 0 HB2 ASN p 43 7.541 -20.741 14.279 1.00 0.00 H new ATOM 0 HB3 ASN p 43 6.612 -20.776 12.793 1.00 0.00 H new ATOM 0 HD21 ASN p 43 7.381 -24.139 11.947 1.00 0.00 H new ATOM 0 HD22 ASN p 43 6.743 -22.592 11.381 1.00 0.00 H new ATOM 687 N MET p 44 7.767 -18.430 11.159 1.00 0.00 N ATOM 688 CA MET p 44 7.312 -17.069 10.851 1.00 0.00 C ATOM 689 C MET p 44 5.789 -16.947 10.979 1.00 0.00 C ATOM 690 O MET p 44 5.060 -17.926 10.790 1.00 0.00 O ATOM 691 CB MET p 44 7.781 -16.633 9.443 1.00 0.00 C ATOM 692 CG MET p 44 7.437 -17.599 8.304 1.00 0.00 C ATOM 693 SD MET p 44 7.994 -17.012 6.690 1.00 0.00 S ATOM 694 CE MET p 44 9.735 -17.442 6.737 1.00 0.00 C ATOM 0 H MET p 44 7.694 -19.081 10.377 1.00 0.00 H new ATOM 0 HA MET p 44 7.763 -16.398 11.582 1.00 0.00 H new ATOM 0 HB2 MET p 44 7.341 -15.662 9.217 1.00 0.00 H new ATOM 0 HB3 MET p 44 8.862 -16.496 9.466 1.00 0.00 H new ATOM 0 HG2 MET p 44 7.890 -18.569 8.508 1.00 0.00 H new ATOM 0 HG3 MET p 44 6.358 -17.751 8.277 1.00 0.00 H new ATOM 0 HE1 MET p 44 10.210 -17.139 5.804 1.00 0.00 H new ATOM 0 HE2 MET p 44 10.214 -16.930 7.571 1.00 0.00 H new ATOM 0 HE3 MET p 44 9.840 -18.519 6.864 1.00 0.00 H new ATOM 704 N ALA p 45 5.330 -15.731 11.301 1.00 0.00 N ATOM 705 CA ALA p 45 3.902 -15.448 11.463 1.00 0.00 C ATOM 706 C ALA p 45 3.265 -14.888 10.173 1.00 0.00 C ATOM 707 O ALA p 45 2.174 -15.338 9.807 1.00 0.00 O ATOM 708 CB ALA p 45 3.672 -14.495 12.630 1.00 0.00 C ATOM 0 H ALA p 45 5.934 -14.923 11.455 1.00 0.00 H new ATOM 0 HA ALA p 45 3.411 -16.397 11.678 1.00 0.00 H new ATOM 0 HB1 ALA p 45 2.605 -14.297 12.734 1.00 0.00 H new ATOM 0 HB2 ALA p 45 4.048 -14.946 13.548 1.00 0.00 H new ATOM 0 HB3 ALA p 45 4.198 -13.559 12.444 1.00 0.00 H new ATOM 714 N PRO p 46 3.909 -13.905 9.447 1.00 0.00 N ATOM 715 CA PRO p 46 3.340 -13.337 8.204 1.00 0.00 C ATOM 716 C PRO p 46 3.386 -14.316 7.031 1.00 0.00 C ATOM 717 O PRO p 46 4.213 -15.232 7.012 1.00 0.00 O ATOM 718 CB PRO p 46 4.233 -12.118 7.910 1.00 0.00 C ATOM 719 CG PRO p 46 5.046 -11.904 9.140 1.00 0.00 C ATOM 720 CD PRO p 46 5.206 -13.259 9.755 1.00 0.00 C ATOM 0 HA PRO p 46 2.286 -13.091 8.330 1.00 0.00 H new ATOM 0 HB2 PRO p 46 4.872 -12.301 7.046 1.00 0.00 H new ATOM 0 HB3 PRO p 46 3.631 -11.239 7.681 1.00 0.00 H new ATOM 0 HG2 PRO p 46 6.014 -11.466 8.899 1.00 0.00 H new ATOM 0 HG3 PRO p 46 4.548 -11.218 9.825 1.00 0.00 H new ATOM 0 HD2 PRO p 46 6.044 -13.805 9.322 1.00 0.00 H new ATOM 0 HD3 PRO p 46 5.385 -13.199 10.829 1.00 0.00 H new ATOM 728 N LEU p 47 2.490 -14.108 6.059 1.00 0.00 N ATOM 729 CA LEU p 47 2.409 -14.971 4.878 1.00 0.00 C ATOM 730 C LEU p 47 2.998 -14.307 3.634 1.00 0.00 C ATOM 731 O LEU p 47 3.349 -14.994 2.672 1.00 0.00 O ATOM 732 CB LEU p 47 0.951 -15.373 4.606 1.00 0.00 C ATOM 733 CG LEU p 47 0.278 -16.227 5.691 1.00 0.00 C ATOM 734 CD1 LEU p 47 -1.235 -16.092 5.607 1.00 0.00 C ATOM 735 CD2 LEU p 47 0.683 -17.691 5.560 1.00 0.00 C ATOM 0 H LEU p 47 1.810 -13.348 6.069 1.00 0.00 H new ATOM 0 HA LEU p 47 3.002 -15.860 5.094 1.00 0.00 H new ATOM 0 HB2 LEU p 47 0.363 -14.465 4.469 1.00 0.00 H new ATOM 0 HB3 LEU p 47 0.915 -15.921 3.665 1.00 0.00 H new ATOM 0 HG LEU p 47 0.612 -15.865 6.663 1.00 0.00 H new ATOM 0 HD11 LEU p 47 -1.698 -16.703 6.382 1.00 0.00 H new ATOM 0 HD12 LEU p 47 -1.516 -15.049 5.751 1.00 0.00 H new ATOM 0 HD13 LEU p 47 -1.576 -16.428 4.628 1.00 0.00 H new ATOM 0 HD21 LEU p 47 0.194 -18.275 6.339 1.00 0.00 H new ATOM 0 HD22 LEU p 47 0.381 -18.066 4.582 1.00 0.00 H new ATOM 0 HD23 LEU p 47 1.764 -17.780 5.665 1.00 0.00 H new ATOM 747 N TYR p 48 3.118 -12.976 3.671 1.00 0.00 N ATOM 748 CA TYR p 48 3.651 -12.193 2.562 1.00 0.00 C ATOM 749 C TYR p 48 5.178 -12.325 2.455 1.00 0.00 C ATOM 750 O TYR p 48 5.927 -11.704 3.219 1.00 0.00 O ATOM 751 CB TYR p 48 3.223 -10.721 2.706 1.00 0.00 C ATOM 752 CG TYR p 48 3.333 -10.135 4.103 1.00 0.00 C ATOM 753 CD1 TYR p 48 2.298 -10.274 5.019 1.00 0.00 C ATOM 754 CD2 TYR p 48 4.466 -9.433 4.496 1.00 0.00 C ATOM 755 CE1 TYR p 48 2.389 -9.730 6.287 1.00 0.00 C ATOM 756 CE2 TYR p 48 4.565 -8.888 5.762 1.00 0.00 C ATOM 757 CZ TYR p 48 3.523 -9.038 6.653 1.00 0.00 C ATOM 758 OH TYR p 48 3.617 -8.495 7.914 1.00 0.00 O ATOM 0 H TYR p 48 2.846 -12.413 4.477 1.00 0.00 H new ATOM 0 HA TYR p 48 3.236 -12.587 1.634 1.00 0.00 H new ATOM 0 HB2 TYR p 48 3.830 -10.118 2.031 1.00 0.00 H new ATOM 0 HB3 TYR p 48 2.189 -10.629 2.374 1.00 0.00 H new ATOM 0 HD1 TYR p 48 1.408 -10.816 4.736 1.00 0.00 H new ATOM 0 HD2 TYR p 48 5.283 -9.311 3.800 1.00 0.00 H new ATOM 0 HE1 TYR p 48 1.575 -9.847 6.987 1.00 0.00 H new ATOM 0 HE2 TYR p 48 5.454 -8.347 6.052 1.00 0.00 H new ATOM 0 HH TYR p 48 4.480 -8.041 8.011 1.00 0.00 H new ATOM 768 N SER p 49 5.623 -13.165 1.504 1.00 0.00 N ATOM 769 CA SER p 49 7.051 -13.407 1.279 1.00 0.00 C ATOM 770 C SER p 49 7.381 -13.546 -0.217 1.00 0.00 C ATOM 771 O SER p 49 8.047 -12.674 -0.783 1.00 0.00 O ATOM 772 CB SER p 49 7.515 -14.656 2.048 1.00 0.00 C ATOM 773 OG SER p 49 7.294 -14.509 3.440 1.00 0.00 O ATOM 0 H SER p 49 5.009 -13.687 0.879 1.00 0.00 H new ATOM 0 HA SER p 49 7.591 -12.538 1.655 1.00 0.00 H new ATOM 0 HB2 SER p 49 6.979 -15.532 1.682 1.00 0.00 H new ATOM 0 HB3 SER p 49 8.575 -14.829 1.861 1.00 0.00 H new ATOM 0 HG SER p 49 7.596 -15.317 3.906 1.00 0.00 H new ATOM 779 N ASP p 50 6.932 -14.645 -0.849 1.00 0.00 N ATOM 780 CA ASP p 50 7.205 -14.884 -2.271 1.00 0.00 C ATOM 781 C ASP p 50 6.030 -14.476 -3.176 1.00 0.00 C ATOM 782 O ASP p 50 6.126 -13.483 -3.902 1.00 0.00 O ATOM 783 CB ASP p 50 7.585 -16.355 -2.502 1.00 0.00 C ATOM 784 CG ASP p 50 8.946 -16.703 -1.928 1.00 0.00 C ATOM 785 OD1 ASP p 50 9.950 -16.567 -2.658 1.00 0.00 O ATOM 786 OD2 ASP p 50 9.006 -17.109 -0.749 1.00 0.00 O ATOM 0 H ASP p 50 6.382 -15.376 -0.398 1.00 0.00 H new ATOM 0 HA ASP p 50 8.047 -14.250 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP p 50 6.829 -16.997 -2.050 1.00 0.00 H new ATOM 0 HB3 ASP p 50 7.582 -16.564 -3.572 1.00 0.00 H new ATOM 791 N GLN p 51 4.928 -15.246 -3.126 1.00 0.00 N ATOM 792 CA GLN p 51 3.742 -14.981 -3.957 1.00 0.00 C ATOM 793 C GLN p 51 2.709 -14.111 -3.240 1.00 0.00 C ATOM 794 O GLN p 51 2.052 -13.281 -3.870 1.00 0.00 O ATOM 795 CB GLN p 51 3.091 -16.297 -4.395 1.00 0.00 C ATOM 796 CG GLN p 51 3.882 -17.053 -5.454 1.00 0.00 C ATOM 797 CD GLN p 51 3.210 -18.345 -5.874 1.00 0.00 C ATOM 798 OE1 GLN p 51 3.436 -19.398 -5.278 1.00 0.00 O ATOM 799 NE2 GLN p 51 2.381 -18.272 -6.909 1.00 0.00 N ATOM 0 H GLN p 51 4.835 -16.059 -2.517 1.00 0.00 H new ATOM 0 HA GLN p 51 4.087 -14.431 -4.832 1.00 0.00 H new ATOM 0 HB2 GLN p 51 2.966 -16.938 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN p 51 2.094 -16.087 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN p 51 4.013 -16.415 -6.328 1.00 0.00 H new ATOM 0 HG3 GLN p 51 4.877 -17.274 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN p 51 2.223 -17.378 -7.374 1.00 0.00 H new ATOM 0 HE22 GLN p 51 1.902 -19.110 -7.239 1.00 0.00 H new ATOM 808 N ALA p 52 2.584 -14.305 -1.918 1.00 0.00 N ATOM 809 CA ALA p 52 1.625 -13.568 -1.071 1.00 0.00 C ATOM 810 C ALA p 52 1.874 -12.042 -1.028 1.00 0.00 C ATOM 811 O ALA p 52 1.084 -11.305 -0.442 1.00 0.00 O ATOM 812 CB ALA p 52 1.623 -14.159 0.331 1.00 0.00 C ATOM 0 H ALA p 52 3.147 -14.980 -1.401 1.00 0.00 H new ATOM 0 HA ALA p 52 0.642 -13.688 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.915 -13.614 0.955 1.00 0.00 H new ATOM 0 HB2 ALA p 52 1.332 -15.208 0.283 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.621 -14.079 0.761 1.00 0.00 H new ATOM 818 N LEU p 53 2.973 -11.595 -1.648 1.00 0.00 N ATOM 819 CA LEU p 53 3.366 -10.196 -1.707 1.00 0.00 C ATOM 820 C LEU p 53 2.772 -9.558 -2.949 1.00 0.00 C ATOM 821 O LEU p 53 1.934 -8.663 -2.867 1.00 0.00 O ATOM 822 CB LEU p 53 4.899 -10.080 -1.737 1.00 0.00 C ATOM 823 CG LEU p 53 5.581 -9.737 -0.416 1.00 0.00 C ATOM 824 CD1 LEU p 53 7.087 -9.836 -0.574 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.189 -8.342 0.020 1.00 0.00 C ATOM 0 H LEU p 53 3.623 -12.215 -2.131 1.00 0.00 H new ATOM 0 HA LEU p 53 2.994 -9.679 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU p 53 5.306 -11.025 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU p 53 5.169 -9.319 -2.469 1.00 0.00 H new ATOM 0 HG LEU p 53 5.260 -10.445 0.348 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.569 -9.590 0.372 1.00 0.00 H new ATOM 0 HD12 LEU p 53 7.356 -10.851 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU p 53 7.419 -9.138 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.680 -8.104 0.964 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.496 -7.623 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.108 -8.292 0.151 1.00 0.00 H new ATOM 837 N LYS p 54 3.223 -10.060 -4.098 1.00 0.00 N ATOM 838 CA LYS p 54 2.736 -9.629 -5.426 1.00 0.00 C ATOM 839 C LYS p 54 1.221 -9.874 -5.557 1.00 0.00 C ATOM 840 O LYS p 54 0.568 -9.377 -6.476 1.00 0.00 O ATOM 841 CB LYS p 54 3.482 -10.375 -6.538 1.00 0.00 C ATOM 842 CG LYS p 54 4.914 -9.902 -6.741 1.00 0.00 C ATOM 843 CD LYS p 54 5.590 -10.637 -7.887 1.00 0.00 C ATOM 844 CE LYS p 54 7.011 -10.142 -8.103 1.00 0.00 C ATOM 845 NZ LYS p 54 7.675 -10.831 -9.244 1.00 0.00 N ATOM 0 H LYS p 54 3.941 -10.783 -4.144 1.00 0.00 H new ATOM 0 HA LYS p 54 2.927 -8.561 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS p 54 3.490 -11.440 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.934 -10.257 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.919 -8.831 -6.942 1.00 0.00 H new ATOM 0 HG3 LYS p 54 5.482 -10.056 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS p 54 5.604 -11.707 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS p 54 5.012 -10.499 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.997 -9.068 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS p 54 7.592 -10.302 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 8.641 -10.464 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 7.713 -11.853 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 7.135 -10.658 -10.116 1.00 0.00 H new ATOM 859 N LYS p 55 0.705 -10.659 -4.603 1.00 0.00 N ATOM 860 CA LYS p 55 -0.692 -11.015 -4.484 1.00 0.00 C ATOM 861 C LYS p 55 -1.355 -10.062 -3.511 1.00 0.00 C ATOM 862 O LYS p 55 -2.513 -9.691 -3.687 1.00 0.00 O ATOM 863 CB LYS p 55 -0.833 -12.460 -4.011 1.00 0.00 C ATOM 864 CG LYS p 55 -1.018 -13.467 -5.140 1.00 0.00 C ATOM 865 CD LYS p 55 -2.491 -13.698 -5.458 1.00 0.00 C ATOM 866 CE LYS p 55 -2.676 -14.677 -6.610 1.00 0.00 C ATOM 867 NZ LYS p 55 -2.349 -16.078 -6.219 1.00 0.00 N ATOM 0 H LYS p 55 1.281 -11.073 -3.871 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.179 -10.936 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS p 55 0.053 -12.732 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -1.684 -12.528 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -0.505 -13.110 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.553 -14.413 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.998 -14.080 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -2.962 -12.748 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.707 -14.631 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -2.042 -14.377 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -2.490 -16.708 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -1.358 -16.129 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -2.971 -16.375 -5.441 1.00 0.00 H new ATOM 881 N LYS p 56 -0.591 -9.680 -2.467 1.00 0.00 N ATOM 882 CA LYS p 56 -1.062 -8.686 -1.471 1.00 0.00 C ATOM 883 C LYS p 56 -1.025 -7.287 -2.096 1.00 0.00 C ATOM 884 O LYS p 56 -1.578 -6.320 -1.570 1.00 0.00 O ATOM 885 CB LYS p 56 -0.191 -8.696 -0.217 1.00 0.00 C ATOM 886 CG LYS p 56 -0.818 -9.421 0.971 1.00 0.00 C ATOM 887 CD LYS p 56 -1.744 -8.508 1.772 1.00 0.00 C ATOM 888 CE LYS p 56 -2.350 -9.221 2.973 1.00 0.00 C ATOM 889 NZ LYS p 56 -3.368 -10.234 2.573 1.00 0.00 N ATOM 0 H LYS p 56 0.347 -10.039 -2.289 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.080 -8.950 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS p 56 0.763 -9.167 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS p 56 0.024 -7.667 0.071 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -1.379 -10.284 0.614 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -0.030 -9.800 1.622 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -1.187 -7.635 2.112 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.543 -8.144 1.125 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -1.558 -9.709 3.541 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.811 -8.487 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -3.163 -11.137 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -4.314 -9.904 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -3.338 -10.368 1.542 1.00 0.00 H new ATOM 903 N LEU p 57 -0.336 -7.247 -3.235 1.00 0.00 N ATOM 904 CA LEU p 57 -0.149 -6.088 -4.081 1.00 0.00 C ATOM 905 C LEU p 57 -1.237 -6.128 -5.114 1.00 0.00 C ATOM 906 O LEU p 57 -1.849 -5.119 -5.450 1.00 0.00 O ATOM 907 CB LEU p 57 1.201 -6.173 -4.781 1.00 0.00 C ATOM 908 CG LEU p 57 2.346 -5.345 -4.207 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.712 -5.795 -2.798 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.529 -5.481 -5.134 1.00 0.00 C ATOM 0 H LEU p 57 0.130 -8.075 -3.606 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.182 -5.169 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.512 -7.218 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.060 -5.877 -5.820 1.00 0.00 H new ATOM 0 HG LEU p 57 2.039 -4.302 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.531 -5.182 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.847 -5.685 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU p 57 3.020 -6.840 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.364 -4.897 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.820 -6.529 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.259 -5.115 -6.124 1.00 0.00 H new ATOM 922 N ALA p 58 -1.429 -7.352 -5.628 1.00 0.00 N ATOM 923 CA ALA p 58 -2.505 -7.644 -6.597 1.00 0.00 C ATOM 924 C ALA p 58 -3.874 -7.474 -5.923 1.00 0.00 C ATOM 925 O ALA p 58 -4.906 -7.334 -6.584 1.00 0.00 O ATOM 926 CB ALA p 58 -2.366 -9.047 -7.169 1.00 0.00 C ATOM 0 H ALA p 58 -0.853 -8.160 -5.390 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.422 -6.938 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.172 -9.232 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.406 -9.139 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.420 -9.776 -6.361 1.00 0.00 H new ATOM 932 N GLN p 59 -3.830 -7.497 -4.584 1.00 0.00 N ATOM 933 CA GLN p 59 -4.964 -7.310 -3.717 1.00 0.00 C ATOM 934 C GLN p 59 -5.018 -5.836 -3.312 1.00 0.00 C ATOM 935 O GLN p 59 -6.069 -5.314 -2.969 1.00 0.00 O ATOM 936 CB GLN p 59 -4.775 -8.224 -2.502 1.00 0.00 C ATOM 937 CG GLN p 59 -5.589 -7.842 -1.291 1.00 0.00 C ATOM 938 CD GLN p 59 -6.406 -8.990 -0.731 1.00 0.00 C ATOM 939 OE1 GLN p 59 -7.547 -9.209 -1.137 1.00 0.00 O ATOM 940 NE2 GLN p 59 -5.829 -9.726 0.212 1.00 0.00 N ATOM 0 H GLN p 59 -2.962 -7.654 -4.071 1.00 0.00 H new ATOM 0 HA GLN p 59 -5.904 -7.565 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.032 -9.244 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -3.720 -8.227 -2.227 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -4.920 -7.469 -0.515 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.259 -7.024 -1.555 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -4.881 -9.509 0.519 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -6.334 -10.508 0.629 1.00 0.00 H new ATOM 949 N LEU p 60 -3.837 -5.212 -3.354 1.00 0.00 N ATOM 950 CA LEU p 60 -3.635 -3.796 -3.042 1.00 0.00 C ATOM 951 C LEU p 60 -3.882 -2.964 -4.302 1.00 0.00 C ATOM 952 O LEU p 60 -3.952 -1.743 -4.259 1.00 0.00 O ATOM 953 CB LEU p 60 -2.200 -3.571 -2.523 1.00 0.00 C ATOM 954 CG LEU p 60 -1.863 -2.182 -1.938 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.214 -1.323 -3.006 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.101 -1.493 -1.385 1.00 0.00 C ATOM 0 H LEU p 60 -2.974 -5.691 -3.613 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.335 -3.488 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -1.999 -4.317 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.511 -3.766 -3.344 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.168 -2.320 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.977 -0.343 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.298 -1.802 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.900 -1.205 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.826 -0.518 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.832 -1.362 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.534 -2.104 -0.593 1.00 0.00 H new ATOM 968 N LYS p 61 -3.987 -3.695 -5.398 1.00 0.00 N ATOM 969 CA LYS p 61 -4.254 -3.196 -6.737 1.00 0.00 C ATOM 970 C LYS p 61 -5.748 -3.291 -6.947 1.00 0.00 C ATOM 971 O LYS p 61 -6.360 -2.509 -7.679 1.00 0.00 O ATOM 972 CB LYS p 61 -3.494 -4.045 -7.760 1.00 0.00 C ATOM 973 CG LYS p 61 -2.227 -3.388 -8.291 1.00 0.00 C ATOM 974 CD LYS p 61 -2.488 -2.599 -9.567 1.00 0.00 C ATOM 975 CE LYS p 61 -1.218 -1.945 -10.091 1.00 0.00 C ATOM 976 NZ LYS p 61 -1.455 -1.209 -11.363 1.00 0.00 N ATOM 0 H LYS p 61 -3.882 -4.709 -5.377 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.923 -2.165 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.232 -4.999 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -4.156 -4.265 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.817 -2.723 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.475 -4.153 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -2.897 -3.263 -10.329 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -3.240 -1.833 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -0.828 -1.257 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -0.456 -2.708 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 -0.565 -0.778 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -1.803 -1.870 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -2.163 -0.464 -11.206 1.00 0.00 H new ATOM 990 N TRP p 62 -6.302 -4.293 -6.259 1.00 0.00 N ATOM 991 CA TRP p 62 -7.727 -4.550 -6.214 1.00 0.00 C ATOM 992 C TRP p 62 -8.303 -3.692 -5.102 1.00 0.00 C ATOM 993 O TRP p 62 -9.470 -3.292 -5.140 1.00 0.00 O ATOM 994 CB TRP p 62 -8.007 -6.031 -5.957 1.00 0.00 C ATOM 995 CG TRP p 62 -8.844 -6.671 -7.024 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.398 -7.214 -8.193 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.271 -6.838 -7.023 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.453 -7.706 -8.921 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.613 -7.488 -8.225 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.294 -6.504 -6.125 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -11.927 -7.807 -8.552 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.598 -6.822 -6.453 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -12.904 -7.467 -7.657 1.00 0.00 C ATOM 0 H TRP p 62 -5.754 -4.956 -5.710 1.00 0.00 H new ATOM 0 HA TRP p 62 -8.190 -4.302 -7.169 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.060 -6.564 -5.879 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.512 -6.137 -4.997 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.364 -7.252 -8.502 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -9.384 -8.160 -9.832 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -11.067 -6.007 -5.193 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.167 -8.305 -9.480 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.394 -6.569 -5.769 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -13.934 -7.701 -7.884 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.440 -3.416 -4.108 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.806 -2.540 -2.986 1.00 0.00 C ATOM 1016 C LYS p 63 -7.420 -1.090 -3.311 1.00 0.00 C ATOM 1017 O LYS p 63 -7.834 -0.167 -2.626 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.153 -2.986 -1.673 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.932 -4.063 -0.922 1.00 0.00 C ATOM 1020 CD LYS p 63 -9.002 -3.466 -0.014 1.00 0.00 C ATOM 1021 CE LYS p 63 -9.753 -4.546 0.748 1.00 0.00 C ATOM 1022 NZ LYS p 63 -10.829 -3.976 1.607 1.00 0.00 N ATOM 0 H LYS p 63 -6.490 -3.785 -4.061 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.885 -2.607 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.152 -3.360 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.037 -2.118 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.400 -4.738 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.242 -4.660 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -8.538 -2.777 0.692 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -9.705 -2.885 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -10.189 -5.252 0.041 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -9.053 -5.106 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -11.316 -4.745 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -10.411 -3.321 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -11.512 -3.463 1.014 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.599 -0.942 -4.364 1.00 0.00 N ATOM 1037 CA LEU p 64 -6.105 0.344 -4.888 1.00 0.00 C ATOM 1038 C LEU p 64 -7.174 1.058 -5.674 1.00 0.00 C ATOM 1039 O LEU p 64 -7.295 2.255 -5.641 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.925 0.063 -5.827 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.175 1.267 -6.377 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.360 1.900 -5.283 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.304 0.830 -7.535 1.00 0.00 C ATOM 0 H LEU p 64 -6.249 -1.741 -4.892 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.808 0.972 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -4.211 -0.566 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -5.295 -0.519 -6.671 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.881 2.012 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.824 2.762 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.020 2.223 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.644 1.175 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.766 1.691 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -2.589 0.082 -7.191 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.929 0.401 -8.319 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.864 0.248 -6.408 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.980 0.592 -7.263 1.00 0.00 C ATOM 1057 C GLN p 65 -10.216 0.726 -6.387 1.00 0.00 C ATOM 1058 O GLN p 65 -11.236 1.270 -6.787 1.00 0.00 O ATOM 1059 CB GLN p 65 -9.120 -0.537 -8.298 1.00 0.00 C ATOM 1060 CG GLN p 65 -10.530 -0.797 -8.797 1.00 0.00 C ATOM 1061 CD GLN p 65 -10.610 -0.961 -10.301 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -10.500 -2.071 -10.824 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -10.800 0.146 -11.006 1.00 0.00 N ATOM 0 H GLN p 65 -7.656 -0.750 -6.436 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.838 1.535 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -8.488 -0.301 -9.154 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.733 -1.457 -7.860 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.918 -1.697 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -11.174 0.028 -8.493 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -10.886 1.045 -10.531 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -10.860 0.099 -12.023 1.00 0.00 H new ATOM 1072 N ALA p 66 -10.063 0.176 -5.195 1.00 0.00 N ATOM 1073 CA ALA p 66 -11.080 0.182 -4.149 1.00 0.00 C ATOM 1074 C ALA p 66 -10.811 1.332 -3.201 1.00 0.00 C ATOM 1075 O ALA p 66 -11.725 1.864 -2.570 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.108 -1.141 -3.399 1.00 0.00 C ATOM 0 H ALA p 66 -9.205 -0.301 -4.917 1.00 0.00 H new ATOM 0 HA ALA p 66 -12.059 0.313 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.876 -1.105 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.331 -1.949 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.137 -1.318 -2.937 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.521 1.688 -3.116 1.00 0.00 N ATOM 1083 CA LEU p 67 -9.043 2.783 -2.304 1.00 0.00 C ATOM 1084 C LEU p 67 -9.052 4.028 -3.165 1.00 0.00 C ATOM 1085 O LEU p 67 -9.339 5.115 -2.694 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.643 2.456 -1.747 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.435 3.140 -2.407 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.230 4.537 -1.852 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -5.190 2.314 -2.217 1.00 0.00 C ATOM 0 H LEU p 67 -8.779 1.206 -3.624 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.685 2.949 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.635 2.711 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.498 1.378 -1.816 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.639 3.224 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.369 4.998 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -7.119 5.138 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.055 4.480 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.346 2.814 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.991 2.196 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -5.332 1.333 -2.670 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.671 3.821 -4.429 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.684 4.875 -5.454 1.00 0.00 C ATOM 1103 C LYS p 68 -10.118 5.175 -5.816 1.00 0.00 C ATOM 1104 O LYS p 68 -10.428 6.274 -6.259 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.885 4.512 -6.709 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.416 4.898 -6.629 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.691 4.615 -7.936 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.210 4.945 -7.832 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.466 4.582 -9.070 1.00 0.00 N ATOM 0 H LYS p 68 -8.344 2.918 -4.773 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.196 5.754 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.961 3.438 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.335 5.005 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.330 5.957 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.938 4.346 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.814 3.565 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.141 5.201 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.089 6.011 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.780 4.415 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.461 4.824 -8.955 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.558 3.561 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -3.858 5.107 -9.877 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.982 4.157 -5.647 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.424 4.330 -5.831 1.00 0.00 C ATOM 1125 C LYS p 69 -12.970 4.943 -4.551 1.00 0.00 C ATOM 1126 O LYS p 69 -14.065 5.502 -4.522 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.126 3.005 -6.108 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.671 2.870 -7.525 1.00 0.00 C ATOM 1129 CD LYS p 69 -15.132 3.291 -7.610 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.663 3.184 -9.031 1.00 0.00 C ATOM 1131 NZ LYS p 69 -17.100 3.570 -9.117 1.00 0.00 N ATOM 0 H LYS p 69 -10.702 3.212 -5.384 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.606 4.971 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.427 2.190 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.948 2.888 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.076 3.482 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.570 1.837 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.731 2.665 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.237 4.317 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.075 3.825 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.539 2.162 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.424 3.484 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.665 2.942 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.215 4.554 -8.800 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.154 4.791 -3.496 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.417 5.336 -2.175 1.00 0.00 C ATOM 1147 C LYS p 70 -11.754 6.701 -2.072 1.00 0.00 C ATOM 1148 O LYS p 70 -12.150 7.542 -1.270 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.871 4.408 -1.101 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.938 3.626 -0.349 1.00 0.00 C ATOM 1151 CD LYS p 70 -13.360 4.334 0.933 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.419 3.546 1.691 1.00 0.00 C ATOM 1153 NZ LYS p 70 -15.759 3.640 1.045 1.00 0.00 N ATOM 0 H LYS p 70 -11.277 4.273 -3.549 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.492 5.433 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.179 3.704 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.297 4.997 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.808 3.488 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.559 2.633 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.489 4.480 1.572 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.747 5.324 0.691 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.118 2.500 1.750 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -14.483 3.917 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -16.449 3.089 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -16.059 4.635 1.011 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -15.705 3.262 0.078 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.707 6.862 -2.896 1.00 0.00 N ATOM 1168 CA ASN p 71 -9.946 8.111 -3.019 1.00 0.00 C ATOM 1169 C ASN p 71 -10.607 8.966 -4.092 1.00 0.00 C ATOM 1170 O ASN p 71 -10.335 10.156 -4.216 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.482 7.850 -3.385 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.544 8.883 -2.791 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.039 8.715 -1.681 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.308 9.960 -3.530 1.00 0.00 N ATOM 0 H ASN p 71 -10.362 6.118 -3.502 1.00 0.00 H new ATOM 0 HA ASN p 71 -9.950 8.625 -2.058 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.194 6.858 -3.035 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.376 7.849 -4.470 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -6.686 10.690 -3.183 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -7.749 10.057 -4.445 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.459 8.288 -4.876 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.279 8.880 -5.925 1.00 0.00 C ATOM 1183 C ALA p 72 -13.597 9.208 -5.278 1.00 0.00 C ATOM 1184 O ALA p 72 -14.359 10.037 -5.757 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.486 7.940 -7.102 1.00 0.00 C ATOM 0 H ALA p 72 -11.595 7.281 -4.788 1.00 0.00 H new ATOM 0 HA ALA p 72 -11.788 9.762 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.103 8.430 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.520 7.683 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -12.983 7.032 -6.760 1.00 0.00 H new ATOM 1191 N GLN p 73 -13.827 8.487 -4.164 1.00 0.00 N ATOM 1192 CA GLN p 73 -14.954 8.638 -3.300 1.00 0.00 C ATOM 1193 C GLN p 73 -14.625 9.778 -2.367 1.00 0.00 C ATOM 1194 O GLN p 73 -15.481 10.543 -1.948 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.077 7.352 -2.525 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.262 7.294 -1.629 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.278 6.245 -2.038 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.201 5.092 -1.614 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.237 6.641 -2.866 1.00 0.00 N ATOM 0 H GLN p 73 -13.187 7.757 -3.851 1.00 0.00 H new ATOM 0 HA GLN p 73 -15.884 8.843 -3.830 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.125 6.520 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.176 7.213 -1.928 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.929 7.089 -0.612 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.745 8.271 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.262 7.607 -3.192 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.949 5.979 -3.176 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.338 9.790 -2.032 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.705 10.813 -1.210 1.00 0.00 C ATOM 1210 C LEU p 74 -12.498 12.045 -2.071 1.00 0.00 C ATOM 1211 O LEU p 74 -12.532 13.154 -1.596 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.366 10.304 -0.682 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.826 10.952 0.597 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.571 10.461 1.837 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.350 10.637 0.707 1.00 0.00 C ATOM 0 H LEU p 74 -12.688 9.065 -2.335 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.335 11.056 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.458 9.232 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.621 10.435 -1.467 1.00 0.00 H new ATOM 0 HG LEU p 74 -10.979 12.030 0.541 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.159 10.943 2.724 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.629 10.708 1.748 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.457 9.381 1.926 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -8.948 11.091 1.613 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.211 9.557 0.750 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.827 11.036 -0.162 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.326 11.798 -3.365 1.00 0.00 N ATOM 1228 CA LYS p 75 -12.169 12.846 -4.370 1.00 0.00 C ATOM 1229 C LYS p 75 -13.561 13.309 -4.727 1.00 0.00 C ATOM 1230 O LYS p 75 -13.769 14.409 -5.247 1.00 0.00 O ATOM 1231 CB LYS p 75 -11.453 12.321 -5.610 1.00 0.00 C ATOM 1232 CG LYS p 75 -10.141 13.026 -5.925 1.00 0.00 C ATOM 1233 CD LYS p 75 -10.222 13.802 -7.229 1.00 0.00 C ATOM 1234 CE LYS p 75 -8.901 14.478 -7.556 1.00 0.00 C ATOM 1235 NZ LYS p 75 -8.955 15.211 -8.852 1.00 0.00 N ATOM 0 H LYS p 75 -12.291 10.855 -3.751 1.00 0.00 H new ATOM 0 HA LYS p 75 -11.563 13.663 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.257 11.257 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -12.119 12.419 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -9.888 13.706 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -9.338 12.291 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -10.497 13.127 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -11.009 14.553 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -8.642 15.173 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -8.110 13.729 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -8.034 15.657 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -9.177 14.544 -9.619 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -9.692 15.944 -8.806 1.00 0.00 H new ATOM 1249 N LYS p 76 -14.508 12.411 -4.423 1.00 0.00 N ATOM 1250 CA LYS p 76 -15.925 12.669 -4.604 1.00 0.00 C ATOM 1251 C LYS p 76 -16.451 13.302 -3.338 1.00 0.00 C ATOM 1252 O LYS p 76 -17.361 14.137 -3.370 1.00 0.00 O ATOM 1253 CB LYS p 76 -16.693 11.393 -4.919 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.020 11.224 -6.397 1.00 0.00 C ATOM 1255 CD LYS p 76 -18.260 10.359 -6.616 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.526 11.199 -6.743 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.733 10.356 -6.967 1.00 0.00 N ATOM 0 H LYS p 76 -14.303 11.486 -4.045 1.00 0.00 H new ATOM 0 HA LYS p 76 -16.063 13.339 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.108 10.536 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -17.621 11.388 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.178 12.204 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -16.169 10.773 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -18.130 9.760 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -18.368 9.663 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.660 11.792 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.415 11.900 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.572 10.965 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -20.617 9.809 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -20.855 9.704 -6.166 1.00 0.00 H new ATOM 1271 N LYS p 77 -15.857 12.880 -2.214 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.191 13.436 -0.916 1.00 0.00 C ATOM 1273 C LYS p 77 -15.389 14.710 -0.682 1.00 0.00 C ATOM 1274 O LYS p 77 -15.737 15.524 0.178 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.926 12.422 0.191 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.159 11.650 0.624 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.953 10.986 1.977 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.198 10.235 2.424 1.00 0.00 C ATOM 1279 NZ LYS p 77 -18.018 9.612 3.764 1.00 0.00 N ATOM 0 H LYS p 77 -15.142 12.153 -2.188 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.254 13.678 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.168 11.716 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.512 12.942 1.055 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.013 12.325 0.675 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.396 10.892 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.111 10.296 1.921 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.696 11.742 2.719 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -19.045 10.921 2.453 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.438 9.462 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -18.888 9.110 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -17.226 8.939 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.814 10.352 4.466 1.00 0.00 H new ATOM 1293 N LEU p 78 -14.303 14.868 -1.466 1.00 0.00 N ATOM 1294 CA LEU p 78 -13.444 16.059 -1.393 1.00 0.00 C ATOM 1295 C LEU p 78 -14.220 17.349 -1.661 1.00 0.00 C ATOM 1296 O LEU p 78 -14.283 18.247 -0.815 1.00 0.00 O ATOM 1297 CB LEU p 78 -12.315 15.931 -2.421 1.00 0.00 C ATOM 1298 CG LEU p 78 -10.899 15.789 -1.865 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -9.936 15.485 -2.996 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -10.480 17.057 -1.139 1.00 0.00 C ATOM 0 H LEU p 78 -14.003 14.181 -2.158 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.043 16.115 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -12.523 15.065 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -12.341 16.808 -3.067 1.00 0.00 H new ATOM 0 HG LEU p 78 -10.881 14.967 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -8.927 15.384 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -10.229 14.555 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -9.960 16.297 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -9.469 16.936 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -10.504 17.898 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.166 17.247 -0.313 1.00 0.00 H new ATOM 1312 N GLN p 79 -14.797 17.409 -2.852 1.00 0.00 N ATOM 1313 CA GLN p 79 -15.592 18.542 -3.307 1.00 0.00 C ATOM 1314 C GLN p 79 -17.075 18.352 -2.997 1.00 0.00 C ATOM 1315 O GLN p 79 -17.755 19.282 -2.555 1.00 0.00 O ATOM 1316 CB GLN p 79 -15.386 18.763 -4.816 1.00 0.00 C ATOM 1317 CG GLN p 79 -15.225 17.491 -5.650 1.00 0.00 C ATOM 1318 CD GLN p 79 -14.995 17.785 -7.121 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -13.857 17.935 -7.564 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -16.078 17.867 -7.885 1.00 0.00 N ATOM 0 H GLN p 79 -14.725 16.660 -3.541 1.00 0.00 H new ATOM 0 HA GLN p 79 -15.252 19.425 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -16.236 19.325 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -14.502 19.384 -4.957 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -14.387 16.911 -5.264 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -16.117 16.874 -5.541 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -17.003 17.736 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -15.985 18.061 -8.882 1.00 0.00 H new ATOM 1329 N ALA p 80 -17.552 17.125 -3.237 1.00 0.00 N ATOM 1330 CA ALA p 80 -18.960 16.717 -3.014 1.00 0.00 C ATOM 1331 C ALA p 80 -19.939 17.519 -3.882 1.00 0.00 C ATOM 1332 O ALA p 80 -20.559 16.911 -4.782 1.00 0.00 O ATOM 1333 CB ALA p 80 -19.345 16.808 -1.533 1.00 0.00 C ATOM 1334 OXT ALA p 80 -20.071 18.743 -3.664 1.00 0.00 O ATOM 0 H ALA p 80 -16.968 16.370 -3.597 1.00 0.00 H new ATOM 0 HA ALA p 80 -19.034 15.673 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -20.383 16.502 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.700 16.152 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -19.226 17.835 -1.189 1.00 0.00 H new TER 1340 ALA p 80