USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 LYS NZ :NH3+ 153:sc= -1.05 (180deg=-0.735) USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= -1.49 F(o=-7.7!,f=-2.5) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 147:sc= -0.0248 (180deg=-0.85) USER MOD Set 2.2: A 20 GLN : amide:sc= -1.9 K(o=-1.9,f=-5.4) USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0162) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.012 (180deg=-0.0304) USER MOD Single : A 3 LYS NZ :NH3+ 139:sc= 0.442 (180deg=-0.0275) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 10 ASN : amide:sc= -0.938 X(o=-0.94,f=-0.56) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-2.5) USER MOD Single : A 31 THR OG1 : rot -37:sc= 0.622 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.201 K(o=0.2,f=-0.44) USER MOD Single : A 46 HIS : no HD1:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= -0.0548 (180deg=-0.364) USER MOD Single : A 61 GLN : amide:sc= -1.67 K(o=-1.7,f=-4.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.779 -0.597 -0.316 1.00 25.21 N ATOM 2 CA MET A 1 2.008 -0.284 -1.036 1.00 4.33 C ATOM 3 C MET A 1 2.896 -1.518 -1.160 1.00 32.23 C ATOM 4 O MET A 1 3.842 -1.695 -0.392 1.00 34.53 O ATOM 5 CB MET A 1 2.770 0.837 -0.324 1.00 73.43 C ATOM 6 CG MET A 1 3.653 1.655 -1.252 1.00 24.12 C ATOM 7 SD MET A 1 3.729 3.394 -0.783 1.00 43.31 S ATOM 8 CE MET A 1 4.545 3.281 0.808 1.00 53.14 C ATOM 0 H1 MET A 1 0.223 0.272 -0.185 1.00 25.21 H new ATOM 0 H2 MET A 1 0.223 -1.286 -0.862 1.00 25.21 H new ATOM 0 H3 MET A 1 1.014 -1.001 0.613 1.00 25.21 H new ATOM 0 HA MET A 1 1.737 0.049 -2.038 1.00 4.33 H new ATOM 0 HB2 MET A 1 2.054 1.500 0.162 1.00 73.43 H new ATOM 0 HB3 MET A 1 3.387 0.403 0.463 1.00 73.43 H new ATOM 0 HG2 MET A 1 4.660 1.238 -1.250 1.00 24.12 H new ATOM 0 HG3 MET A 1 3.276 1.574 -2.271 1.00 24.12 H new ATOM 0 HE1 MET A 1 4.712 4.283 1.203 1.00 53.14 H new ATOM 0 HE2 MET A 1 3.918 2.718 1.499 1.00 53.14 H new ATOM 0 HE3 MET A 1 5.502 2.773 0.691 1.00 53.14 H new ATOM 18 N LYS A 2 2.585 -2.370 -2.131 1.00 52.42 N ATOM 19 CA LYS A 2 3.354 -3.588 -2.357 1.00 40.51 C ATOM 20 C LYS A 2 3.979 -3.586 -3.748 1.00 44.24 C ATOM 21 O LYS A 2 3.430 -3.008 -4.687 1.00 4.24 O ATOM 22 CB LYS A 2 2.460 -4.818 -2.190 1.00 21.33 C ATOM 23 CG LYS A 2 1.744 -4.872 -0.851 1.00 73.25 C ATOM 24 CD LYS A 2 2.723 -4.806 0.308 1.00 0.54 C ATOM 25 CE LYS A 2 2.105 -5.341 1.591 1.00 63.20 C ATOM 26 NZ LYS A 2 1.803 -6.796 1.495 1.00 21.25 N ATOM 0 H LYS A 2 1.805 -2.239 -2.775 1.00 52.42 H new ATOM 0 HA LYS A 2 4.154 -3.625 -1.618 1.00 40.51 H new ATOM 0 HB2 LYS A 2 1.719 -4.830 -2.989 1.00 21.33 H new ATOM 0 HB3 LYS A 2 3.067 -5.716 -2.305 1.00 21.33 H new ATOM 0 HG2 LYS A 2 1.039 -4.043 -0.781 1.00 73.25 H new ATOM 0 HG3 LYS A 2 1.162 -5.792 -0.785 1.00 73.25 H new ATOM 0 HD2 LYS A 2 3.616 -5.382 0.065 1.00 0.54 H new ATOM 0 HD3 LYS A 2 3.041 -3.774 0.459 1.00 0.54 H new ATOM 0 HE2 LYS A 2 2.787 -5.165 2.423 1.00 63.20 H new ATOM 0 HE3 LYS A 2 1.188 -4.793 1.809 1.00 63.20 H new ATOM 0 HZ1 LYS A 2 1.927 -7.238 2.428 1.00 21.25 H new ATOM 0 HZ2 LYS A 2 0.821 -6.927 1.177 1.00 21.25 H new ATOM 0 HZ3 LYS A 2 2.450 -7.241 0.813 1.00 21.25 H new ATOM 40 N LYS A 3 5.130 -4.237 -3.875 1.00 64.45 N ATOM 41 CA LYS A 3 5.830 -4.314 -5.153 1.00 32.05 C ATOM 42 C LYS A 3 6.093 -5.765 -5.543 1.00 10.04 C ATOM 43 O LYS A 3 6.625 -6.543 -4.753 1.00 24.43 O ATOM 44 CB LYS A 3 7.152 -3.546 -5.080 1.00 72.42 C ATOM 45 CG LYS A 3 7.002 -2.124 -4.570 1.00 52.43 C ATOM 46 CD LYS A 3 8.340 -1.536 -4.154 1.00 61.35 C ATOM 47 CE LYS A 3 8.318 -0.016 -4.193 1.00 14.13 C ATOM 48 NZ LYS A 3 8.139 0.570 -2.836 1.00 13.44 N ATOM 0 H LYS A 3 5.599 -4.719 -3.108 1.00 64.45 H new ATOM 0 HA LYS A 3 5.195 -3.861 -5.915 1.00 32.05 H new ATOM 0 HB2 LYS A 3 7.840 -4.086 -4.430 1.00 72.42 H new ATOM 0 HB3 LYS A 3 7.604 -3.522 -6.072 1.00 72.42 H new ATOM 0 HG2 LYS A 3 6.557 -1.503 -5.347 1.00 52.43 H new ATOM 0 HG3 LYS A 3 6.318 -2.111 -3.721 1.00 52.43 H new ATOM 0 HD2 LYS A 3 8.589 -1.871 -3.147 1.00 61.35 H new ATOM 0 HD3 LYS A 3 9.123 -1.907 -4.816 1.00 61.35 H new ATOM 0 HE2 LYS A 3 9.249 0.350 -4.627 1.00 14.13 H new ATOM 0 HE3 LYS A 3 7.510 0.319 -4.843 1.00 14.13 H new ATOM 0 HZ1 LYS A 3 8.760 1.398 -2.731 1.00 13.44 H new ATOM 0 HZ2 LYS A 3 7.148 0.862 -2.712 1.00 13.44 H new ATOM 0 HZ3 LYS A 3 8.384 -0.140 -2.116 1.00 13.44 H new ATOM 62 N GLY A 4 5.717 -6.122 -6.767 1.00 42.42 N ATOM 63 CA GLY A 4 5.922 -7.478 -7.241 1.00 3.03 C ATOM 64 C GLY A 4 5.781 -7.594 -8.745 1.00 70.54 C ATOM 65 O GLY A 4 5.406 -6.634 -9.418 1.00 42.53 O ATOM 0 H GLY A 4 5.274 -5.496 -7.439 1.00 42.42 H new ATOM 0 HA2 GLY A 4 6.915 -7.817 -6.945 1.00 3.03 H new ATOM 0 HA3 GLY A 4 5.203 -8.140 -6.760 1.00 3.03 H new ATOM 69 N THR A 5 6.083 -8.775 -9.277 1.00 43.11 N ATOM 70 CA THR A 5 5.991 -9.013 -10.712 1.00 31.01 C ATOM 71 C THR A 5 4.537 -9.108 -11.161 1.00 43.01 C ATOM 72 O THR A 5 3.642 -9.357 -10.353 1.00 64.32 O ATOM 73 CB THR A 5 6.726 -10.305 -11.116 1.00 5.25 C ATOM 74 OG1 THR A 5 6.507 -11.322 -10.131 1.00 52.54 O ATOM 75 CG2 THR A 5 8.219 -10.053 -11.267 1.00 40.22 C ATOM 0 H THR A 5 6.393 -9.581 -8.735 1.00 43.11 H new ATOM 0 HA THR A 5 6.466 -8.164 -11.204 1.00 31.01 H new ATOM 0 HB THR A 5 6.330 -10.637 -12.076 1.00 5.25 H new ATOM 0 HG1 THR A 5 6.976 -12.141 -10.396 1.00 52.54 H new ATOM 0 HG21 THR A 5 8.717 -10.979 -11.553 1.00 40.22 H new ATOM 0 HG22 THR A 5 8.385 -9.299 -12.037 1.00 40.22 H new ATOM 0 HG23 THR A 5 8.626 -9.699 -10.320 1.00 40.22 H new ATOM 83 N VAL A 6 4.308 -8.908 -12.455 1.00 63.32 N ATOM 84 CA VAL A 6 2.963 -8.973 -13.012 1.00 75.43 C ATOM 85 C VAL A 6 2.733 -10.293 -13.741 1.00 15.31 C ATOM 86 O VAL A 6 3.552 -10.715 -14.557 1.00 32.41 O ATOM 87 CB VAL A 6 2.702 -7.809 -13.987 1.00 35.34 C ATOM 88 CG1 VAL A 6 3.574 -7.944 -15.225 1.00 53.25 C ATOM 89 CG2 VAL A 6 1.229 -7.751 -14.365 1.00 22.53 C ATOM 0 H VAL A 6 5.037 -8.700 -13.137 1.00 63.32 H new ATOM 0 HA VAL A 6 2.270 -8.898 -12.174 1.00 75.43 H new ATOM 0 HB VAL A 6 2.963 -6.875 -13.489 1.00 35.34 H new ATOM 0 HG11 VAL A 6 3.376 -7.113 -15.902 1.00 53.25 H new ATOM 0 HG12 VAL A 6 4.624 -7.932 -14.933 1.00 53.25 H new ATOM 0 HG13 VAL A 6 3.348 -8.884 -15.728 1.00 53.25 H new ATOM 0 HG21 VAL A 6 1.063 -6.923 -15.054 1.00 22.53 H new ATOM 0 HG22 VAL A 6 0.939 -8.686 -14.844 1.00 22.53 H new ATOM 0 HG23 VAL A 6 0.629 -7.602 -13.467 1.00 22.53 H new ATOM 99 N LYS A 7 1.611 -10.940 -13.441 1.00 45.02 N ATOM 100 CA LYS A 7 1.271 -12.211 -14.068 1.00 73.43 C ATOM 101 C LYS A 7 0.791 -12.000 -15.501 1.00 33.34 C ATOM 102 O LYS A 7 1.108 -12.786 -16.393 1.00 73.43 O ATOM 103 CB LYS A 7 0.190 -12.930 -13.258 1.00 14.25 C ATOM 104 CG LYS A 7 0.609 -14.305 -12.769 1.00 20.40 C ATOM 105 CD LYS A 7 -0.378 -14.863 -11.757 1.00 51.22 C ATOM 106 CE LYS A 7 0.090 -14.621 -10.330 1.00 72.13 C ATOM 107 NZ LYS A 7 1.386 -15.298 -10.049 1.00 70.44 N ATOM 0 H LYS A 7 0.922 -10.604 -12.768 1.00 45.02 H new ATOM 0 HA LYS A 7 2.170 -12.828 -14.091 1.00 73.43 H new ATOM 0 HB2 LYS A 7 -0.078 -12.315 -12.399 1.00 14.25 H new ATOM 0 HB3 LYS A 7 -0.706 -13.029 -13.871 1.00 14.25 H new ATOM 0 HG2 LYS A 7 0.686 -14.986 -13.617 1.00 20.40 H new ATOM 0 HG3 LYS A 7 1.599 -14.245 -12.318 1.00 20.40 H new ATOM 0 HD2 LYS A 7 -1.353 -14.399 -11.905 1.00 51.22 H new ATOM 0 HD3 LYS A 7 -0.505 -15.933 -11.923 1.00 51.22 H new ATOM 0 HE2 LYS A 7 0.195 -13.550 -10.159 1.00 72.13 H new ATOM 0 HE3 LYS A 7 -0.667 -14.982 -9.633 1.00 72.13 H new ATOM 0 HZ1 LYS A 7 1.892 -14.783 -9.300 1.00 70.44 H new ATOM 0 HZ2 LYS A 7 1.207 -16.274 -9.738 1.00 70.44 H new ATOM 0 HZ3 LYS A 7 1.966 -15.310 -10.912 1.00 70.44 H new ATOM 121 N TRP A 8 0.027 -10.935 -15.713 1.00 11.24 N ATOM 122 CA TRP A 8 -0.495 -10.620 -17.038 1.00 31.23 C ATOM 123 C TRP A 8 -1.209 -9.273 -17.036 1.00 31.13 C ATOM 124 O TRP A 8 -1.835 -8.892 -16.046 1.00 25.41 O ATOM 125 CB TRP A 8 -1.452 -11.718 -17.505 1.00 53.00 C ATOM 126 CG TRP A 8 -2.580 -11.969 -16.550 1.00 52.45 C ATOM 127 CD1 TRP A 8 -3.613 -11.122 -16.261 1.00 64.54 C ATOM 128 CD2 TRP A 8 -2.788 -13.143 -15.759 1.00 22.24 C ATOM 129 NE1 TRP A 8 -4.449 -11.700 -15.337 1.00 75.55 N ATOM 130 CE2 TRP A 8 -3.966 -12.941 -15.014 1.00 10.54 C ATOM 131 CE3 TRP A 8 -2.094 -14.347 -15.608 1.00 35.02 C ATOM 132 CZ2 TRP A 8 -4.463 -13.897 -14.132 1.00 4.10 C ATOM 133 CZ3 TRP A 8 -2.588 -15.295 -14.732 1.00 75.02 C ATOM 134 CH2 TRP A 8 -3.764 -15.066 -14.004 1.00 25.21 C ATOM 0 H TRP A 8 -0.245 -10.275 -14.985 1.00 11.24 H new ATOM 0 HA TRP A 8 0.346 -10.563 -17.729 1.00 31.23 H new ATOM 0 HB2 TRP A 8 -1.862 -11.443 -18.477 1.00 53.00 H new ATOM 0 HB3 TRP A 8 -0.892 -12.642 -17.646 1.00 53.00 H new ATOM 0 HD1 TRP A 8 -3.752 -10.143 -16.695 1.00 64.54 H new ATOM 0 HE1 TRP A 8 -5.293 -11.274 -14.953 1.00 75.55 H new ATOM 0 HE3 TRP A 8 -1.188 -14.533 -16.166 1.00 35.02 H new ATOM 0 HZ2 TRP A 8 -5.368 -13.722 -13.569 1.00 4.10 H new ATOM 0 HZ3 TRP A 8 -2.059 -16.228 -14.606 1.00 75.02 H new ATOM 0 HH2 TRP A 8 -4.125 -15.828 -13.329 1.00 25.21 H new ATOM 145 N PHE A 9 -1.112 -8.555 -18.150 1.00 31.21 N ATOM 146 CA PHE A 9 -1.749 -7.249 -18.276 1.00 24.23 C ATOM 147 C PHE A 9 -2.235 -7.017 -19.703 1.00 55.20 C ATOM 148 O PHE A 9 -1.458 -6.651 -20.583 1.00 60.24 O ATOM 149 CB PHE A 9 -0.773 -6.142 -17.871 1.00 15.12 C ATOM 150 CG PHE A 9 -1.257 -4.762 -18.216 1.00 24.15 C ATOM 151 CD1 PHE A 9 -2.170 -4.110 -17.402 1.00 63.25 C ATOM 152 CD2 PHE A 9 -0.797 -4.117 -19.352 1.00 52.22 C ATOM 153 CE1 PHE A 9 -2.616 -2.841 -17.718 1.00 14.00 C ATOM 154 CE2 PHE A 9 -1.240 -2.847 -19.673 1.00 20.23 C ATOM 155 CZ PHE A 9 -2.150 -2.208 -18.854 1.00 31.23 C ATOM 0 H PHE A 9 -0.598 -8.855 -18.979 1.00 31.21 H new ATOM 0 HA PHE A 9 -2.611 -7.226 -17.609 1.00 24.23 H new ATOM 0 HB2 PHE A 9 -0.597 -6.199 -16.797 1.00 15.12 H new ATOM 0 HB3 PHE A 9 0.185 -6.316 -18.361 1.00 15.12 H new ATOM 0 HD1 PHE A 9 -2.537 -4.599 -16.512 1.00 63.25 H new ATOM 0 HD2 PHE A 9 -0.084 -4.612 -19.995 1.00 52.22 H new ATOM 0 HE1 PHE A 9 -3.329 -2.344 -17.077 1.00 14.00 H new ATOM 0 HE2 PHE A 9 -0.875 -2.356 -20.563 1.00 20.23 H new ATOM 0 HZ PHE A 9 -2.497 -1.215 -19.101 1.00 31.23 H new ATOM 165 N ASN A 10 -3.528 -7.233 -19.923 1.00 53.44 N ATOM 166 CA ASN A 10 -4.120 -7.048 -21.244 1.00 22.14 C ATOM 167 C ASN A 10 -4.538 -5.596 -21.454 1.00 45.14 C ATOM 168 O ASN A 10 -5.527 -5.135 -20.886 1.00 21.22 O ATOM 169 CB ASN A 10 -5.330 -7.969 -21.417 1.00 4.35 C ATOM 170 CG ASN A 10 -5.716 -8.149 -22.872 1.00 4.10 C ATOM 171 OD1 ASN A 10 -4.861 -8.376 -23.729 1.00 33.53 O ATOM 172 ND2 ASN A 10 -7.008 -8.047 -23.158 1.00 34.40 N ATOM 0 H ASN A 10 -4.186 -7.536 -19.205 1.00 53.44 H new ATOM 0 HA ASN A 10 -3.368 -7.303 -21.991 1.00 22.14 H new ATOM 0 HB2 ASN A 10 -5.108 -8.942 -20.980 1.00 4.35 H new ATOM 0 HB3 ASN A 10 -6.177 -7.559 -20.867 1.00 4.35 H new ATOM 0 HD21 ASN A 10 -7.328 -8.158 -24.120 1.00 34.40 H new ATOM 0 HD22 ASN A 10 -7.681 -7.858 -22.416 1.00 34.40 H new ATOM 179 N ALA A 11 -3.776 -4.880 -22.276 1.00 35.30 N ATOM 180 CA ALA A 11 -4.069 -3.482 -22.564 1.00 43.32 C ATOM 181 C ALA A 11 -5.343 -3.346 -23.391 1.00 21.21 C ATOM 182 O ALA A 11 -5.985 -2.296 -23.390 1.00 64.34 O ATOM 183 CB ALA A 11 -2.897 -2.836 -23.288 1.00 5.10 C ATOM 0 H ALA A 11 -2.952 -5.246 -22.753 1.00 35.30 H new ATOM 0 HA ALA A 11 -4.226 -2.967 -21.616 1.00 43.32 H new ATOM 0 HB1 ALA A 11 -3.129 -1.792 -23.497 1.00 5.10 H new ATOM 0 HB2 ALA A 11 -2.007 -2.891 -22.661 1.00 5.10 H new ATOM 0 HB3 ALA A 11 -2.714 -3.362 -24.225 1.00 5.10 H new ATOM 189 N GLU A 12 -5.702 -4.415 -24.095 1.00 55.22 N ATOM 190 CA GLU A 12 -6.900 -4.413 -24.927 1.00 42.15 C ATOM 191 C GLU A 12 -8.153 -4.228 -24.077 1.00 33.30 C ATOM 192 O GLU A 12 -9.119 -3.595 -24.503 1.00 74.12 O ATOM 193 CB GLU A 12 -6.997 -5.716 -25.723 1.00 32.53 C ATOM 194 CG GLU A 12 -6.062 -5.771 -26.919 1.00 51.22 C ATOM 195 CD GLU A 12 -6.649 -5.105 -28.149 1.00 4.33 C ATOM 196 OE1 GLU A 12 -7.666 -5.610 -28.668 1.00 62.21 O ATOM 197 OE2 GLU A 12 -6.091 -4.079 -28.591 1.00 60.15 O ATOM 0 H GLU A 12 -5.181 -5.292 -24.106 1.00 55.22 H new ATOM 0 HA GLU A 12 -6.827 -3.576 -25.622 1.00 42.15 H new ATOM 0 HB2 GLU A 12 -6.776 -6.553 -25.061 1.00 32.53 H new ATOM 0 HB3 GLU A 12 -8.023 -5.845 -26.068 1.00 32.53 H new ATOM 0 HG2 GLU A 12 -5.120 -5.286 -26.662 1.00 51.22 H new ATOM 0 HG3 GLU A 12 -5.832 -6.812 -27.148 1.00 51.22 H new ATOM 204 N LYS A 13 -8.131 -4.787 -22.871 1.00 44.45 N ATOM 205 CA LYS A 13 -9.263 -4.684 -21.959 1.00 32.40 C ATOM 206 C LYS A 13 -8.991 -3.654 -20.867 1.00 73.33 C ATOM 207 O LYS A 13 -9.884 -2.908 -20.468 1.00 51.15 O ATOM 208 CB LYS A 13 -9.560 -6.046 -21.327 1.00 70.42 C ATOM 209 CG LYS A 13 -10.250 -7.017 -22.270 1.00 43.03 C ATOM 210 CD LYS A 13 -11.611 -6.500 -22.706 1.00 5.24 C ATOM 211 CE LYS A 13 -12.546 -7.639 -23.081 1.00 22.03 C ATOM 212 NZ LYS A 13 -13.396 -8.060 -21.933 1.00 10.43 N ATOM 0 H LYS A 13 -7.340 -5.316 -22.503 1.00 44.45 H new ATOM 0 HA LYS A 13 -10.131 -4.359 -22.533 1.00 32.40 H new ATOM 0 HB2 LYS A 13 -8.625 -6.489 -20.983 1.00 70.42 H new ATOM 0 HB3 LYS A 13 -10.187 -5.900 -20.447 1.00 70.42 H new ATOM 0 HG2 LYS A 13 -9.624 -7.180 -23.147 1.00 43.03 H new ATOM 0 HG3 LYS A 13 -10.367 -7.982 -21.778 1.00 43.03 H new ATOM 0 HD2 LYS A 13 -12.054 -5.914 -21.900 1.00 5.24 H new ATOM 0 HD3 LYS A 13 -11.491 -5.831 -23.558 1.00 5.24 H new ATOM 0 HE2 LYS A 13 -13.183 -7.328 -23.909 1.00 22.03 H new ATOM 0 HE3 LYS A 13 -11.960 -8.489 -23.430 1.00 22.03 H new ATOM 0 HZ1 LYS A 13 -14.019 -8.838 -22.229 1.00 10.43 H new ATOM 0 HZ2 LYS A 13 -12.790 -8.381 -21.151 1.00 10.43 H new ATOM 0 HZ3 LYS A 13 -13.974 -7.256 -21.616 1.00 10.43 H new ATOM 226 N GLY A 14 -7.751 -3.619 -20.389 1.00 12.22 N ATOM 227 CA GLY A 14 -7.384 -2.675 -19.349 1.00 31.51 C ATOM 228 C GLY A 14 -7.432 -3.291 -17.965 1.00 23.24 C ATOM 229 O GLY A 14 -7.965 -2.693 -17.030 1.00 31.33 O ATOM 0 H GLY A 14 -6.994 -4.227 -20.703 1.00 12.22 H new ATOM 0 HA2 GLY A 14 -6.379 -2.299 -19.542 1.00 31.51 H new ATOM 0 HA3 GLY A 14 -8.057 -1.818 -19.386 1.00 31.51 H new ATOM 233 N TYR A 15 -6.875 -4.490 -17.833 1.00 4.34 N ATOM 234 CA TYR A 15 -6.859 -5.189 -16.553 1.00 54.31 C ATOM 235 C TYR A 15 -5.617 -6.065 -16.426 1.00 3.45 C ATOM 236 O TYR A 15 -5.029 -6.478 -17.424 1.00 52.33 O ATOM 237 CB TYR A 15 -8.118 -6.045 -16.401 1.00 0.53 C ATOM 238 CG TYR A 15 -8.075 -7.332 -17.193 1.00 5.23 C ATOM 239 CD1 TYR A 15 -8.046 -7.315 -18.582 1.00 1.22 C ATOM 240 CD2 TYR A 15 -8.063 -8.565 -16.552 1.00 51.33 C ATOM 241 CE1 TYR A 15 -8.007 -8.488 -19.310 1.00 21.32 C ATOM 242 CE2 TYR A 15 -8.023 -9.743 -17.272 1.00 64.01 C ATOM 243 CZ TYR A 15 -7.995 -9.700 -18.650 1.00 41.34 C ATOM 244 OH TYR A 15 -7.956 -10.871 -19.371 1.00 60.40 O ATOM 0 H TYR A 15 -6.429 -4.998 -18.597 1.00 4.34 H new ATOM 0 HA TYR A 15 -6.837 -4.442 -15.760 1.00 54.31 H new ATOM 0 HB2 TYR A 15 -8.261 -6.282 -15.347 1.00 0.53 H new ATOM 0 HB3 TYR A 15 -8.983 -5.463 -16.717 1.00 0.53 H new ATOM 0 HD1 TYR A 15 -8.054 -6.368 -19.101 1.00 1.22 H new ATOM 0 HD2 TYR A 15 -8.085 -8.603 -15.473 1.00 51.33 H new ATOM 0 HE1 TYR A 15 -7.986 -8.457 -20.389 1.00 21.32 H new ATOM 0 HE2 TYR A 15 -8.014 -10.693 -16.758 1.00 64.01 H new ATOM 0 HH TYR A 15 -7.951 -11.634 -18.756 1.00 60.40 H new ATOM 254 N GLY A 16 -5.222 -6.345 -15.187 1.00 14.51 N ATOM 255 CA GLY A 16 -4.053 -7.170 -14.949 1.00 44.15 C ATOM 256 C GLY A 16 -3.984 -7.683 -13.525 1.00 14.12 C ATOM 257 O GLY A 16 -4.833 -7.351 -12.696 1.00 44.14 O ATOM 0 H GLY A 16 -5.692 -6.015 -14.344 1.00 14.51 H new ATOM 0 HA2 GLY A 16 -4.064 -8.016 -15.636 1.00 44.15 H new ATOM 0 HA3 GLY A 16 -3.155 -6.593 -15.168 1.00 44.15 H new ATOM 261 N PHE A 17 -2.973 -8.496 -13.238 1.00 73.21 N ATOM 262 CA PHE A 17 -2.799 -9.059 -11.904 1.00 10.50 C ATOM 263 C PHE A 17 -1.335 -9.003 -11.477 1.00 51.12 C ATOM 264 O PHE A 17 -0.436 -9.286 -12.269 1.00 63.41 O ATOM 265 CB PHE A 17 -3.298 -10.505 -11.868 1.00 0.41 C ATOM 266 CG PHE A 17 -4.785 -10.621 -11.688 1.00 25.50 C ATOM 267 CD1 PHE A 17 -5.651 -10.229 -12.696 1.00 4.43 C ATOM 268 CD2 PHE A 17 -5.316 -11.125 -10.512 1.00 1.35 C ATOM 269 CE1 PHE A 17 -7.019 -10.334 -12.532 1.00 61.43 C ATOM 270 CE2 PHE A 17 -6.683 -11.233 -10.343 1.00 35.34 C ATOM 271 CZ PHE A 17 -7.536 -10.838 -11.355 1.00 20.51 C ATOM 0 H PHE A 17 -2.261 -8.780 -13.911 1.00 73.21 H new ATOM 0 HA PHE A 17 -3.386 -8.462 -11.206 1.00 10.50 H new ATOM 0 HB2 PHE A 17 -3.012 -11.003 -12.795 1.00 0.41 H new ATOM 0 HB3 PHE A 17 -2.799 -11.033 -11.055 1.00 0.41 H new ATOM 0 HD1 PHE A 17 -5.252 -9.837 -13.620 1.00 4.43 H new ATOM 0 HD2 PHE A 17 -4.654 -11.437 -9.718 1.00 1.35 H new ATOM 0 HE1 PHE A 17 -7.684 -10.022 -13.324 1.00 61.43 H new ATOM 0 HE2 PHE A 17 -7.084 -11.626 -9.420 1.00 35.34 H new ATOM 0 HZ PHE A 17 -8.605 -10.923 -11.226 1.00 20.51 H new ATOM 281 N ILE A 18 -1.105 -8.635 -10.221 1.00 62.43 N ATOM 282 CA ILE A 18 0.249 -8.543 -9.689 1.00 11.10 C ATOM 283 C ILE A 18 0.433 -9.468 -8.490 1.00 53.35 C ATOM 284 O ILE A 18 -0.500 -9.692 -7.719 1.00 62.24 O ATOM 285 CB ILE A 18 0.591 -7.101 -9.268 1.00 62.52 C ATOM 286 CG1 ILE A 18 0.463 -6.154 -10.463 1.00 23.21 C ATOM 287 CG2 ILE A 18 1.994 -7.039 -8.684 1.00 25.42 C ATOM 288 CD1 ILE A 18 0.112 -4.735 -10.074 1.00 71.31 C ATOM 0 H ILE A 18 -1.838 -8.396 -9.553 1.00 62.43 H new ATOM 0 HA ILE A 18 0.924 -8.850 -10.488 1.00 11.10 H new ATOM 0 HB ILE A 18 -0.115 -6.785 -8.500 1.00 62.52 H new ATOM 0 HG12 ILE A 18 1.403 -6.149 -11.015 1.00 23.21 H new ATOM 0 HG13 ILE A 18 -0.301 -6.537 -11.139 1.00 23.21 H new ATOM 0 HG21 ILE A 18 2.221 -6.014 -8.391 1.00 25.42 H new ATOM 0 HG22 ILE A 18 2.053 -7.688 -7.810 1.00 25.42 H new ATOM 0 HG23 ILE A 18 2.714 -7.371 -9.432 1.00 25.42 H new ATOM 0 HD11 ILE A 18 0.038 -4.120 -10.971 1.00 71.31 H new ATOM 0 HD12 ILE A 18 -0.843 -4.727 -9.548 1.00 71.31 H new ATOM 0 HD13 ILE A 18 0.888 -4.334 -9.422 1.00 71.31 H new ATOM 300 N GLN A 19 1.641 -9.999 -8.340 1.00 65.41 N ATOM 301 CA GLN A 19 1.948 -10.899 -7.234 1.00 55.01 C ATOM 302 C GLN A 19 3.138 -10.387 -6.430 1.00 31.44 C ATOM 303 O GLN A 19 4.192 -10.086 -6.988 1.00 42.13 O ATOM 304 CB GLN A 19 2.239 -12.306 -7.759 1.00 55.01 C ATOM 305 CG GLN A 19 3.376 -12.356 -8.766 1.00 71.35 C ATOM 306 CD GLN A 19 2.885 -12.492 -10.194 1.00 61.24 C ATOM 307 OE1 GLN A 19 1.824 -11.767 -10.527 1.00 14.22 O flip ATOM 308 NE2 GLN A 19 3.454 -13.241 -10.990 1.00 73.14 N flip ATOM 0 H GLN A 19 2.424 -9.822 -8.970 1.00 65.41 H new ATOM 0 HA GLN A 19 1.079 -10.937 -6.577 1.00 55.01 H new ATOM 0 HB2 GLN A 19 2.481 -12.956 -6.918 1.00 55.01 H new ATOM 0 HB3 GLN A 19 1.337 -12.706 -8.222 1.00 55.01 H new ATOM 0 HG2 GLN A 19 3.976 -11.450 -8.677 1.00 71.35 H new ATOM 0 HG3 GLN A 19 4.030 -13.195 -8.529 1.00 71.35 H new ATOM 0 HE21 GLN A 19 4.267 -13.780 -10.691 1.00 73.14 H new ATOM 0 HE22 GLN A 19 3.112 -13.322 -11.948 1.00 73.14 H new ATOM 317 N GLN A 20 2.961 -10.292 -5.116 1.00 11.02 N ATOM 318 CA GLN A 20 4.021 -9.816 -4.235 1.00 51.53 C ATOM 319 C GLN A 20 4.520 -10.936 -3.329 1.00 2.22 C ATOM 320 O GLN A 20 4.047 -12.069 -3.409 1.00 42.24 O ATOM 321 CB GLN A 20 3.522 -8.643 -3.389 1.00 75.12 C ATOM 322 CG GLN A 20 4.609 -7.642 -3.034 1.00 23.52 C ATOM 323 CD GLN A 20 4.724 -7.411 -1.540 1.00 55.50 C ATOM 324 OE1 GLN A 20 3.746 -7.545 -0.803 1.00 25.02 O ATOM 325 NE2 GLN A 20 5.921 -7.060 -1.085 1.00 33.11 N ATOM 0 H GLN A 20 2.094 -10.538 -4.638 1.00 11.02 H new ATOM 0 HA GLN A 20 4.851 -9.479 -4.856 1.00 51.53 H new ATOM 0 HB2 GLN A 20 2.728 -8.128 -3.930 1.00 75.12 H new ATOM 0 HB3 GLN A 20 3.082 -9.030 -2.470 1.00 75.12 H new ATOM 0 HG2 GLN A 20 5.565 -7.998 -3.417 1.00 23.52 H new ATOM 0 HG3 GLN A 20 4.400 -6.694 -3.529 1.00 23.52 H new ATOM 0 HE21 GLN A 20 6.703 -6.961 -1.732 1.00 33.11 H new ATOM 0 HE22 GLN A 20 6.058 -6.890 -0.089 1.00 33.11 H new ATOM 334 N GLU A 21 5.479 -10.610 -2.467 1.00 71.42 N ATOM 335 CA GLU A 21 6.043 -11.591 -1.547 1.00 14.34 C ATOM 336 C GLU A 21 4.949 -12.228 -0.694 1.00 3.44 C ATOM 337 O GLU A 21 5.127 -13.319 -0.153 1.00 53.24 O ATOM 338 CB GLU A 21 7.090 -10.934 -0.645 1.00 41.44 C ATOM 339 CG GLU A 21 6.500 -9.973 0.374 1.00 71.34 C ATOM 340 CD GLU A 21 6.114 -10.662 1.668 1.00 11.55 C ATOM 341 OE1 GLU A 21 7.014 -11.206 2.341 1.00 21.43 O ATOM 342 OE2 GLU A 21 4.913 -10.656 2.009 1.00 55.31 O ATOM 0 H GLU A 21 5.881 -9.676 -2.387 1.00 71.42 H new ATOM 0 HA GLU A 21 6.521 -12.372 -2.137 1.00 14.34 H new ATOM 0 HB2 GLU A 21 7.644 -11.712 -0.120 1.00 41.44 H new ATOM 0 HB3 GLU A 21 7.806 -10.397 -1.266 1.00 41.44 H new ATOM 0 HG2 GLU A 21 7.223 -9.186 0.587 1.00 71.34 H new ATOM 0 HG3 GLU A 21 5.621 -9.491 -0.053 1.00 71.34 H new ATOM 349 N GLU A 22 3.819 -11.537 -0.578 1.00 4.12 N ATOM 350 CA GLU A 22 2.698 -12.034 0.211 1.00 61.44 C ATOM 351 C GLU A 22 2.329 -13.455 -0.205 1.00 72.53 C ATOM 352 O GLU A 22 2.603 -14.415 0.514 1.00 74.32 O ATOM 353 CB GLU A 22 1.486 -11.114 0.052 1.00 3.33 C ATOM 354 CG GLU A 22 1.425 -10.004 1.089 1.00 63.24 C ATOM 355 CD GLU A 22 0.020 -9.473 1.293 1.00 73.22 C ATOM 356 OE1 GLU A 22 -0.381 -8.553 0.551 1.00 41.55 O ATOM 357 OE2 GLU A 22 -0.680 -9.979 2.195 1.00 24.34 O ATOM 0 H GLU A 22 3.656 -10.632 -1.020 1.00 4.12 H new ATOM 0 HA GLU A 22 3.001 -12.046 1.258 1.00 61.44 H new ATOM 0 HB2 GLU A 22 1.506 -10.670 -0.943 1.00 3.33 H new ATOM 0 HB3 GLU A 22 0.576 -11.711 0.117 1.00 3.33 H new ATOM 0 HG2 GLU A 22 1.810 -10.377 2.038 1.00 63.24 H new ATOM 0 HG3 GLU A 22 2.077 -9.187 0.780 1.00 63.24 H new ATOM 364 N GLY A 23 1.704 -13.581 -1.372 1.00 40.03 N ATOM 365 CA GLY A 23 1.306 -14.887 -1.864 1.00 63.11 C ATOM 366 C GLY A 23 0.267 -14.801 -2.964 1.00 13.41 C ATOM 367 O GLY A 23 0.532 -15.116 -4.124 1.00 54.21 O ATOM 0 H GLY A 23 1.466 -12.802 -1.985 1.00 40.03 H new ATOM 0 HA2 GLY A 23 2.184 -15.414 -2.238 1.00 63.11 H new ATOM 0 HA3 GLY A 23 0.908 -15.477 -1.038 1.00 63.11 H new ATOM 371 N PRO A 24 -0.949 -14.366 -2.601 1.00 52.22 N ATOM 372 CA PRO A 24 -2.057 -14.230 -3.551 1.00 53.13 C ATOM 373 C PRO A 24 -1.837 -13.090 -4.540 1.00 22.02 C ATOM 374 O PRO A 24 -0.938 -12.268 -4.363 1.00 41.41 O ATOM 375 CB PRO A 24 -3.261 -13.933 -2.653 1.00 24.41 C ATOM 376 CG PRO A 24 -2.676 -13.319 -1.428 1.00 34.12 C ATOM 377 CD PRO A 24 -1.336 -13.973 -1.236 1.00 1.32 C ATOM 0 HA PRO A 24 -2.177 -15.121 -4.167 1.00 53.13 H new ATOM 0 HB2 PRO A 24 -3.961 -13.254 -3.141 1.00 24.41 H new ATOM 0 HB3 PRO A 24 -3.812 -14.843 -2.416 1.00 24.41 H new ATOM 0 HG2 PRO A 24 -2.571 -12.240 -1.544 1.00 34.12 H new ATOM 0 HG3 PRO A 24 -3.319 -13.485 -0.563 1.00 34.12 H new ATOM 0 HD2 PRO A 24 -0.613 -13.286 -0.796 1.00 1.32 H new ATOM 0 HD3 PRO A 24 -1.401 -14.836 -0.573 1.00 1.32 H new ATOM 385 N ASP A 25 -2.662 -13.047 -5.580 1.00 15.14 N ATOM 386 CA ASP A 25 -2.559 -12.006 -6.596 1.00 25.31 C ATOM 387 C ASP A 25 -3.399 -10.791 -6.217 1.00 4.32 C ATOM 388 O ASP A 25 -4.148 -10.821 -5.240 1.00 44.43 O ATOM 389 CB ASP A 25 -3.004 -12.546 -7.956 1.00 51.40 C ATOM 390 CG ASP A 25 -2.650 -14.008 -8.143 1.00 40.22 C ATOM 391 OD1 ASP A 25 -1.580 -14.426 -7.654 1.00 33.24 O ATOM 392 OD2 ASP A 25 -3.442 -14.734 -8.780 1.00 52.32 O ATOM 0 H ASP A 25 -3.410 -13.721 -5.742 1.00 15.14 H new ATOM 0 HA ASP A 25 -1.516 -11.697 -6.660 1.00 25.31 H new ATOM 0 HB2 ASP A 25 -4.082 -12.420 -8.058 1.00 51.40 H new ATOM 0 HB3 ASP A 25 -2.538 -11.958 -8.747 1.00 51.40 H new ATOM 397 N VAL A 26 -3.268 -9.721 -6.995 1.00 60.25 N ATOM 398 CA VAL A 26 -4.015 -8.495 -6.742 1.00 2.03 C ATOM 399 C VAL A 26 -4.793 -8.060 -7.978 1.00 55.01 C ATOM 400 O VAL A 26 -4.386 -8.330 -9.108 1.00 74.13 O ATOM 401 CB VAL A 26 -3.082 -7.349 -6.307 1.00 23.42 C ATOM 402 CG1 VAL A 26 -2.667 -6.513 -7.508 1.00 24.42 C ATOM 403 CG2 VAL A 26 -3.756 -6.485 -5.252 1.00 51.34 C ATOM 0 H VAL A 26 -2.651 -9.679 -7.806 1.00 60.25 H new ATOM 0 HA VAL A 26 -4.714 -8.712 -5.934 1.00 2.03 H new ATOM 0 HB VAL A 26 -2.183 -7.782 -5.869 1.00 23.42 H new ATOM 0 HG11 VAL A 26 -2.008 -5.708 -7.181 1.00 24.42 H new ATOM 0 HG12 VAL A 26 -2.142 -7.143 -8.226 1.00 24.42 H new ATOM 0 HG13 VAL A 26 -3.553 -6.088 -7.979 1.00 24.42 H new ATOM 0 HG21 VAL A 26 -3.083 -5.680 -4.956 1.00 51.34 H new ATOM 0 HG22 VAL A 26 -4.672 -6.059 -5.661 1.00 51.34 H new ATOM 0 HG23 VAL A 26 -3.997 -7.095 -4.381 1.00 51.34 H new ATOM 413 N PHE A 27 -5.916 -7.384 -7.756 1.00 60.22 N ATOM 414 CA PHE A 27 -6.753 -6.911 -8.853 1.00 32.44 C ATOM 415 C PHE A 27 -6.312 -5.526 -9.316 1.00 25.22 C ATOM 416 O PHE A 27 -6.404 -4.551 -8.570 1.00 70.02 O ATOM 417 CB PHE A 27 -8.221 -6.874 -8.422 1.00 1.40 C ATOM 418 CG PHE A 27 -9.183 -6.820 -9.575 1.00 4.15 C ATOM 419 CD1 PHE A 27 -9.299 -7.890 -10.447 1.00 41.44 C ATOM 420 CD2 PHE A 27 -9.970 -5.699 -9.785 1.00 62.33 C ATOM 421 CE1 PHE A 27 -10.183 -7.844 -11.509 1.00 11.42 C ATOM 422 CE2 PHE A 27 -10.856 -5.648 -10.845 1.00 10.34 C ATOM 423 CZ PHE A 27 -10.962 -6.721 -11.708 1.00 41.41 C ATOM 0 H PHE A 27 -6.267 -7.152 -6.827 1.00 60.22 H new ATOM 0 HA PHE A 27 -6.643 -7.605 -9.686 1.00 32.44 H new ATOM 0 HB2 PHE A 27 -8.437 -7.757 -7.820 1.00 1.40 H new ATOM 0 HB3 PHE A 27 -8.382 -6.005 -7.784 1.00 1.40 H new ATOM 0 HD1 PHE A 27 -8.692 -8.770 -10.296 1.00 41.44 H new ATOM 0 HD2 PHE A 27 -9.890 -4.857 -9.114 1.00 62.33 H new ATOM 0 HE1 PHE A 27 -10.264 -8.685 -12.182 1.00 11.42 H new ATOM 0 HE2 PHE A 27 -11.465 -4.769 -10.998 1.00 10.34 H new ATOM 0 HZ PHE A 27 -11.653 -6.682 -12.537 1.00 41.41 H new ATOM 433 N VAL A 28 -5.830 -5.448 -10.552 1.00 52.15 N ATOM 434 CA VAL A 28 -5.374 -4.183 -11.117 1.00 33.13 C ATOM 435 C VAL A 28 -6.138 -3.843 -12.392 1.00 31.05 C ATOM 436 O VAL A 28 -6.614 -4.732 -13.099 1.00 43.30 O ATOM 437 CB VAL A 28 -3.866 -4.219 -11.429 1.00 14.13 C ATOM 438 CG1 VAL A 28 -3.184 -5.325 -10.639 1.00 64.20 C ATOM 439 CG2 VAL A 28 -3.636 -4.398 -12.922 1.00 1.03 C ATOM 0 H VAL A 28 -5.745 -6.246 -11.182 1.00 52.15 H new ATOM 0 HA VAL A 28 -5.564 -3.415 -10.368 1.00 33.13 H new ATOM 0 HB VAL A 28 -3.427 -3.268 -11.129 1.00 14.13 H new ATOM 0 HG11 VAL A 28 -2.119 -5.335 -10.872 1.00 64.20 H new ATOM 0 HG12 VAL A 28 -3.320 -5.147 -9.572 1.00 64.20 H new ATOM 0 HG13 VAL A 28 -3.623 -6.286 -10.906 1.00 64.20 H new ATOM 0 HG21 VAL A 28 -2.565 -4.421 -13.125 1.00 1.03 H new ATOM 0 HG22 VAL A 28 -4.088 -5.334 -13.250 1.00 1.03 H new ATOM 0 HG23 VAL A 28 -4.090 -3.567 -13.462 1.00 1.03 H new ATOM 449 N HIS A 29 -6.252 -2.550 -12.680 1.00 23.32 N ATOM 450 CA HIS A 29 -6.957 -2.092 -13.871 1.00 53.12 C ATOM 451 C HIS A 29 -6.373 -0.776 -14.376 1.00 62.01 C ATOM 452 O HIS A 29 -5.714 -0.051 -13.630 1.00 63.15 O ATOM 453 CB HIS A 29 -8.447 -1.921 -13.573 1.00 51.41 C ATOM 454 CG HIS A 29 -9.288 -3.065 -14.049 1.00 14.24 C ATOM 455 ND1 HIS A 29 -10.097 -2.992 -15.164 1.00 25.44 N ATOM 456 CD2 HIS A 29 -9.443 -4.315 -13.554 1.00 60.44 C ATOM 457 CE1 HIS A 29 -10.713 -4.148 -15.334 1.00 31.34 C ATOM 458 NE2 HIS A 29 -10.333 -4.969 -14.371 1.00 14.44 N ATOM 0 H HIS A 29 -5.865 -1.802 -12.105 1.00 23.32 H new ATOM 0 HA HIS A 29 -6.834 -2.846 -14.649 1.00 53.12 H new ATOM 0 HB2 HIS A 29 -8.583 -1.804 -12.498 1.00 51.41 H new ATOM 0 HB3 HIS A 29 -8.800 -1.002 -14.041 1.00 51.41 H new ATOM 0 HD2 HIS A 29 -8.957 -4.722 -12.680 1.00 60.44 H new ATOM 0 HE1 HIS A 29 -11.409 -4.382 -16.126 1.00 31.34 H new ATOM 0 HE2 HIS A 29 -10.649 -5.932 -14.253 1.00 14.44 H new ATOM 466 N PHE A 30 -6.618 -0.474 -15.647 1.00 31.22 N ATOM 467 CA PHE A 30 -6.115 0.753 -16.252 1.00 3.42 C ATOM 468 C PHE A 30 -6.618 1.979 -15.495 1.00 54.01 C ATOM 469 O PHE A 30 -6.050 3.066 -15.602 1.00 14.52 O ATOM 470 CB PHE A 30 -6.540 0.836 -17.719 1.00 72.43 C ATOM 471 CG PHE A 30 -7.970 1.255 -17.906 1.00 73.12 C ATOM 472 CD1 PHE A 30 -9.007 0.415 -17.533 1.00 22.51 C ATOM 473 CD2 PHE A 30 -8.278 2.489 -18.454 1.00 51.55 C ATOM 474 CE1 PHE A 30 -10.324 0.798 -17.705 1.00 24.34 C ATOM 475 CE2 PHE A 30 -9.593 2.878 -18.628 1.00 51.32 C ATOM 476 CZ PHE A 30 -10.617 2.031 -18.252 1.00 11.53 C ATOM 0 H PHE A 30 -7.162 -1.063 -16.278 1.00 31.22 H new ATOM 0 HA PHE A 30 -5.027 0.735 -16.197 1.00 3.42 H new ATOM 0 HB2 PHE A 30 -5.892 1.543 -18.237 1.00 72.43 H new ATOM 0 HB3 PHE A 30 -6.390 -0.137 -18.188 1.00 72.43 H new ATOM 0 HD1 PHE A 30 -8.784 -0.550 -17.103 1.00 22.51 H new ATOM 0 HD2 PHE A 30 -7.481 3.156 -18.749 1.00 51.55 H new ATOM 0 HE1 PHE A 30 -11.123 0.133 -17.412 1.00 24.34 H new ATOM 0 HE2 PHE A 30 -9.819 3.843 -19.057 1.00 51.32 H new ATOM 0 HZ PHE A 30 -11.645 2.333 -18.386 1.00 11.53 H new ATOM 486 N THR A 31 -7.690 1.796 -14.730 1.00 31.41 N ATOM 487 CA THR A 31 -8.273 2.885 -13.957 1.00 25.14 C ATOM 488 C THR A 31 -7.567 3.046 -12.615 1.00 65.31 C ATOM 489 O THR A 31 -7.988 3.837 -11.772 1.00 71.31 O ATOM 490 CB THR A 31 -9.776 2.657 -13.709 1.00 24.13 C ATOM 491 OG1 THR A 31 -10.367 3.841 -13.163 1.00 54.34 O ATOM 492 CG2 THR A 31 -9.996 1.490 -12.758 1.00 74.24 C ATOM 0 H THR A 31 -8.172 0.903 -14.630 1.00 31.41 H new ATOM 0 HA THR A 31 -8.143 3.794 -14.545 1.00 25.14 H new ATOM 0 HB THR A 31 -10.248 2.422 -14.663 1.00 24.13 H new ATOM 0 HG1 THR A 31 -9.732 4.272 -12.553 1.00 54.34 H new ATOM 0 HG21 THR A 31 -11.065 1.348 -12.598 1.00 74.24 H new ATOM 0 HG22 THR A 31 -9.570 0.584 -13.189 1.00 74.24 H new ATOM 0 HG23 THR A 31 -9.511 1.701 -11.805 1.00 74.24 H new ATOM 500 N ALA A 32 -6.490 2.291 -12.424 1.00 64.33 N ATOM 501 CA ALA A 32 -5.723 2.352 -11.186 1.00 34.12 C ATOM 502 C ALA A 32 -4.263 2.694 -11.460 1.00 41.01 C ATOM 503 O ALA A 32 -3.644 3.455 -10.716 1.00 40.52 O ATOM 504 CB ALA A 32 -5.826 1.032 -10.436 1.00 15.23 C ATOM 0 H ALA A 32 -6.129 1.630 -13.111 1.00 64.33 H new ATOM 0 HA ALA A 32 -6.144 3.144 -10.566 1.00 34.12 H new ATOM 0 HB1 ALA A 32 -5.248 1.092 -9.513 1.00 15.23 H new ATOM 0 HB2 ALA A 32 -6.870 0.829 -10.198 1.00 15.23 H new ATOM 0 HB3 ALA A 32 -5.433 0.228 -11.059 1.00 15.23 H new ATOM 510 N ILE A 33 -3.718 2.127 -12.531 1.00 32.51 N ATOM 511 CA ILE A 33 -2.330 2.372 -12.903 1.00 14.54 C ATOM 512 C ILE A 33 -2.036 3.867 -12.971 1.00 54.25 C ATOM 513 O ILE A 33 -2.737 4.616 -13.651 1.00 12.41 O ATOM 514 CB ILE A 33 -1.989 1.730 -14.260 1.00 41.41 C ATOM 515 CG1 ILE A 33 -2.074 0.206 -14.164 1.00 22.24 C ATOM 516 CG2 ILE A 33 -0.603 2.161 -14.716 1.00 40.42 C ATOM 517 CD1 ILE A 33 -2.928 -0.421 -15.243 1.00 31.41 C ATOM 0 H ILE A 33 -4.217 1.494 -13.157 1.00 32.51 H new ATOM 0 HA ILE A 33 -1.710 1.917 -12.130 1.00 14.54 H new ATOM 0 HB ILE A 33 -2.715 2.069 -14.999 1.00 41.41 H new ATOM 0 HG12 ILE A 33 -1.068 -0.210 -14.221 1.00 22.24 H new ATOM 0 HG13 ILE A 33 -2.477 -0.067 -13.189 1.00 22.24 H new ATOM 0 HG21 ILE A 33 -0.376 1.699 -15.677 1.00 40.42 H new ATOM 0 HG22 ILE A 33 -0.575 3.246 -14.819 1.00 40.42 H new ATOM 0 HG23 ILE A 33 0.136 1.847 -13.979 1.00 40.42 H new ATOM 0 HD11 ILE A 33 -2.943 -1.503 -15.113 1.00 31.41 H new ATOM 0 HD12 ILE A 33 -3.944 -0.033 -15.174 1.00 31.41 H new ATOM 0 HD13 ILE A 33 -2.513 -0.179 -16.222 1.00 31.41 H new ATOM 529 N GLU A 34 -0.994 4.293 -12.265 1.00 12.04 N ATOM 530 CA GLU A 34 -0.607 5.699 -12.247 1.00 30.21 C ATOM 531 C GLU A 34 0.740 5.901 -12.934 1.00 62.25 C ATOM 532 O GLU A 34 1.785 5.912 -12.285 1.00 1.24 O ATOM 533 CB GLU A 34 -0.540 6.214 -10.808 1.00 2.13 C ATOM 534 CG GLU A 34 0.270 5.324 -9.880 1.00 2.42 C ATOM 535 CD GLU A 34 0.831 6.079 -8.690 1.00 53.31 C ATOM 536 OE1 GLU A 34 0.146 6.998 -8.193 1.00 61.24 O ATOM 537 OE2 GLU A 34 1.955 5.751 -8.256 1.00 34.42 O ATOM 0 H GLU A 34 -0.403 3.685 -11.698 1.00 12.04 H new ATOM 0 HA GLU A 34 -1.362 6.264 -12.793 1.00 30.21 H new ATOM 0 HB2 GLU A 34 -0.106 7.214 -10.809 1.00 2.13 H new ATOM 0 HB3 GLU A 34 -1.553 6.306 -10.417 1.00 2.13 H new ATOM 0 HG2 GLU A 34 -0.359 4.508 -9.524 1.00 2.42 H new ATOM 0 HG3 GLU A 34 1.090 4.873 -10.439 1.00 2.42 H new ATOM 544 N ALA A 35 0.707 6.059 -14.254 1.00 12.04 N ATOM 545 CA ALA A 35 1.924 6.262 -15.030 1.00 32.13 C ATOM 546 C ALA A 35 1.971 7.667 -15.619 1.00 51.53 C ATOM 547 O ALA A 35 1.038 8.453 -15.452 1.00 33.21 O ATOM 548 CB ALA A 35 2.025 5.220 -16.134 1.00 41.53 C ATOM 0 H ALA A 35 -0.150 6.050 -14.808 1.00 12.04 H new ATOM 0 HA ALA A 35 2.776 6.149 -14.360 1.00 32.13 H new ATOM 0 HB1 ALA A 35 2.938 5.383 -16.706 1.00 41.53 H new ATOM 0 HB2 ALA A 35 2.046 4.223 -15.693 1.00 41.53 H new ATOM 0 HB3 ALA A 35 1.163 5.306 -16.795 1.00 41.53 H new ATOM 554 N ASP A 36 3.063 7.978 -16.309 1.00 0.21 N ATOM 555 CA ASP A 36 3.232 9.290 -16.924 1.00 34.31 C ATOM 556 C ASP A 36 2.966 9.224 -18.425 1.00 11.44 C ATOM 557 O ASP A 36 3.893 9.267 -19.232 1.00 3.31 O ATOM 558 CB ASP A 36 4.643 9.820 -16.666 1.00 13.23 C ATOM 559 CG ASP A 36 4.722 10.669 -15.412 1.00 71.10 C ATOM 560 OD1 ASP A 36 4.228 11.816 -15.439 1.00 74.33 O ATOM 561 OD2 ASP A 36 5.277 10.186 -14.403 1.00 42.14 O ATOM 0 H ASP A 36 3.845 7.339 -16.457 1.00 0.21 H new ATOM 0 HA ASP A 36 2.509 9.971 -16.474 1.00 34.31 H new ATOM 0 HB2 ASP A 36 5.333 8.981 -16.577 1.00 13.23 H new ATOM 0 HB3 ASP A 36 4.968 10.411 -17.522 1.00 13.23 H new ATOM 566 N GLY A 37 1.692 9.119 -18.791 1.00 41.22 N ATOM 567 CA GLY A 37 1.327 9.048 -20.194 1.00 43.21 C ATOM 568 C GLY A 37 0.559 7.785 -20.530 1.00 41.52 C ATOM 569 O GLY A 37 -0.536 7.561 -20.015 1.00 75.01 O ATOM 0 H GLY A 37 0.907 9.082 -18.141 1.00 41.22 H new ATOM 0 HA2 GLY A 37 0.722 9.917 -20.453 1.00 43.21 H new ATOM 0 HA3 GLY A 37 2.229 9.094 -20.804 1.00 43.21 H new ATOM 573 N PHE A 38 1.133 6.959 -21.398 1.00 21.20 N ATOM 574 CA PHE A 38 0.494 5.713 -21.805 1.00 32.13 C ATOM 575 C PHE A 38 0.857 4.579 -20.851 1.00 62.50 C ATOM 576 O PHE A 38 1.999 4.118 -20.824 1.00 34.12 O ATOM 577 CB PHE A 38 0.905 5.346 -23.232 1.00 23.10 C ATOM 578 CG PHE A 38 0.362 6.283 -24.272 1.00 53.13 C ATOM 579 CD1 PHE A 38 0.892 7.554 -24.424 1.00 64.11 C ATOM 580 CD2 PHE A 38 -0.680 5.893 -25.098 1.00 54.21 C ATOM 581 CE1 PHE A 38 0.395 8.419 -25.381 1.00 33.33 C ATOM 582 CE2 PHE A 38 -1.182 6.753 -26.057 1.00 1.44 C ATOM 583 CZ PHE A 38 -0.645 8.018 -26.197 1.00 45.03 C ATOM 0 H PHE A 38 2.040 7.130 -21.833 1.00 21.20 H new ATOM 0 HA PHE A 38 -0.586 5.860 -21.772 1.00 32.13 H new ATOM 0 HB2 PHE A 38 1.993 5.335 -23.297 1.00 23.10 H new ATOM 0 HB3 PHE A 38 0.563 4.335 -23.451 1.00 23.10 H new ATOM 0 HD1 PHE A 38 1.704 7.873 -23.787 1.00 64.11 H new ATOM 0 HD2 PHE A 38 -1.105 4.906 -24.991 1.00 54.21 H new ATOM 0 HE1 PHE A 38 0.819 9.406 -25.490 1.00 33.33 H new ATOM 0 HE2 PHE A 38 -1.993 6.436 -26.696 1.00 1.44 H new ATOM 0 HZ PHE A 38 -1.038 8.693 -26.943 1.00 45.03 H new ATOM 593 N ARG A 39 -0.122 4.134 -20.070 1.00 23.31 N ATOM 594 CA ARG A 39 0.095 3.055 -19.113 1.00 74.14 C ATOM 595 C ARG A 39 0.131 1.702 -19.819 1.00 3.25 C ATOM 596 O ARG A 39 -0.793 1.345 -20.550 1.00 11.12 O ATOM 597 CB ARG A 39 -1.006 3.058 -18.051 1.00 11.51 C ATOM 598 CG ARG A 39 -1.167 4.395 -17.345 1.00 53.14 C ATOM 599 CD ARG A 39 -2.549 4.535 -16.727 1.00 14.51 C ATOM 600 NE ARG A 39 -3.519 5.084 -17.671 1.00 45.54 N ATOM 601 CZ ARG A 39 -4.683 5.610 -17.308 1.00 32.45 C ATOM 602 NH1 ARG A 39 -5.021 5.657 -16.026 1.00 74.04 N ATOM 603 NH2 ARG A 39 -5.512 6.089 -18.226 1.00 50.20 N ATOM 0 H ARG A 39 -1.073 4.504 -20.081 1.00 23.31 H new ATOM 0 HA ARG A 39 1.058 3.220 -18.629 1.00 74.14 H new ATOM 0 HB2 ARG A 39 -1.952 2.788 -18.520 1.00 11.51 H new ATOM 0 HB3 ARG A 39 -0.787 2.289 -17.310 1.00 11.51 H new ATOM 0 HG2 ARG A 39 -0.408 4.491 -16.568 1.00 53.14 H new ATOM 0 HG3 ARG A 39 -1.001 5.205 -18.055 1.00 53.14 H new ATOM 0 HD2 ARG A 39 -2.892 3.560 -16.381 1.00 14.51 H new ATOM 0 HD3 ARG A 39 -2.490 5.181 -15.851 1.00 14.51 H new ATOM 0 HE ARG A 39 -3.289 5.062 -18.665 1.00 45.54 H new ATOM 0 HH11 ARG A 39 -4.386 5.289 -15.317 1.00 74.04 H new ATOM 0 HH12 ARG A 39 -5.915 6.061 -15.749 1.00 74.04 H new ATOM 0 HH21 ARG A 39 -5.256 6.054 -19.213 1.00 50.20 H new ATOM 0 HH22 ARG A 39 -6.406 6.493 -17.945 1.00 50.20 H new ATOM 617 N THR A 40 1.206 0.953 -19.595 1.00 23.35 N ATOM 618 CA THR A 40 1.365 -0.359 -20.209 1.00 72.20 C ATOM 619 C THR A 40 2.490 -1.145 -19.545 1.00 41.24 C ATOM 620 O THR A 40 3.634 -0.691 -19.498 1.00 62.05 O ATOM 621 CB THR A 40 1.656 -0.242 -21.717 1.00 41.20 C ATOM 622 OG1 THR A 40 2.217 1.043 -22.009 1.00 23.10 O ATOM 623 CG2 THR A 40 0.387 -0.443 -22.531 1.00 14.04 C ATOM 0 H THR A 40 1.980 1.233 -18.992 1.00 23.35 H new ATOM 0 HA THR A 40 0.423 -0.890 -20.068 1.00 72.20 H new ATOM 0 HB THR A 40 2.369 -1.020 -21.988 1.00 41.20 H new ATOM 0 HG1 THR A 40 2.401 1.109 -22.969 1.00 23.10 H new ATOM 0 HG21 THR A 40 0.618 -0.356 -23.593 1.00 14.04 H new ATOM 0 HG22 THR A 40 -0.022 -1.433 -22.329 1.00 14.04 H new ATOM 0 HG23 THR A 40 -0.346 0.315 -22.256 1.00 14.04 H new ATOM 631 N LEU A 41 2.159 -2.325 -19.034 1.00 22.32 N ATOM 632 CA LEU A 41 3.143 -3.176 -18.373 1.00 1.43 C ATOM 633 C LEU A 41 3.466 -4.398 -19.225 1.00 64.42 C ATOM 634 O LEU A 41 2.949 -4.551 -20.331 1.00 12.04 O ATOM 635 CB LEU A 41 2.626 -3.617 -17.002 1.00 61.24 C ATOM 636 CG LEU A 41 1.848 -2.567 -16.208 1.00 60.34 C ATOM 637 CD1 LEU A 41 1.178 -3.201 -14.999 1.00 4.11 C ATOM 638 CD2 LEU A 41 2.768 -1.434 -15.778 1.00 50.03 C ATOM 0 H LEU A 41 1.217 -2.715 -19.064 1.00 22.32 H new ATOM 0 HA LEU A 41 4.057 -2.597 -18.241 1.00 1.43 H new ATOM 0 HB2 LEU A 41 1.985 -4.487 -17.141 1.00 61.24 H new ATOM 0 HB3 LEU A 41 3.477 -3.940 -16.402 1.00 61.24 H new ATOM 0 HG LEU A 41 1.072 -2.153 -16.852 1.00 60.34 H new ATOM 0 HD11 LEU A 41 0.629 -2.439 -14.446 1.00 4.11 H new ATOM 0 HD12 LEU A 41 0.488 -3.977 -15.331 1.00 4.11 H new ATOM 0 HD13 LEU A 41 1.936 -3.643 -14.353 1.00 4.11 H new ATOM 0 HD21 LEU A 41 2.197 -0.696 -15.214 1.00 50.03 H new ATOM 0 HD22 LEU A 41 3.566 -1.831 -15.151 1.00 50.03 H new ATOM 0 HD23 LEU A 41 3.200 -0.962 -16.660 1.00 50.03 H new ATOM 650 N ASN A 42 4.324 -5.268 -18.702 1.00 25.12 N ATOM 651 CA ASN A 42 4.716 -6.479 -19.414 1.00 74.13 C ATOM 652 C ASN A 42 4.870 -7.652 -18.450 1.00 51.53 C ATOM 653 O ASN A 42 5.461 -7.513 -17.380 1.00 34.42 O ATOM 654 CB ASN A 42 6.026 -6.250 -20.170 1.00 71.14 C ATOM 655 CG ASN A 42 5.997 -4.986 -21.008 1.00 10.04 C ATOM 656 OD1 ASN A 42 5.240 -4.885 -21.973 1.00 14.42 O ATOM 657 ND2 ASN A 42 6.825 -4.015 -20.641 1.00 13.53 N ATOM 0 H ASN A 42 4.761 -5.157 -17.787 1.00 25.12 H new ATOM 0 HA ASN A 42 3.929 -6.721 -20.129 1.00 74.13 H new ATOM 0 HB2 ASN A 42 6.848 -6.191 -19.457 1.00 71.14 H new ATOM 0 HB3 ASN A 42 6.224 -7.106 -20.815 1.00 71.14 H new ATOM 0 HD21 ASN A 42 6.851 -3.141 -21.166 1.00 13.53 H new ATOM 0 HD22 ASN A 42 7.435 -4.143 -19.834 1.00 13.53 H new ATOM 664 N GLU A 43 4.335 -8.805 -18.839 1.00 51.32 N ATOM 665 CA GLU A 43 4.413 -10.001 -18.009 1.00 44.10 C ATOM 666 C GLU A 43 5.859 -10.301 -17.623 1.00 32.23 C ATOM 667 O GLU A 43 6.758 -10.262 -18.461 1.00 40.33 O ATOM 668 CB GLU A 43 3.811 -11.200 -18.745 1.00 1.33 C ATOM 669 CG GLU A 43 3.918 -12.504 -17.973 1.00 24.21 C ATOM 670 CD GLU A 43 3.556 -13.712 -18.815 1.00 54.11 C ATOM 671 OE1 GLU A 43 2.364 -13.861 -19.158 1.00 1.24 O ATOM 672 OE2 GLU A 43 4.464 -14.508 -19.132 1.00 23.02 O ATOM 0 H GLU A 43 3.843 -8.936 -19.723 1.00 51.32 H new ATOM 0 HA GLU A 43 3.842 -9.819 -17.099 1.00 44.10 H new ATOM 0 HB2 GLU A 43 2.761 -10.997 -18.955 1.00 1.33 H new ATOM 0 HB3 GLU A 43 4.312 -11.314 -19.706 1.00 1.33 H new ATOM 0 HG2 GLU A 43 4.936 -12.618 -17.599 1.00 24.21 H new ATOM 0 HG3 GLU A 43 3.262 -12.462 -17.104 1.00 24.21 H new ATOM 679 N GLY A 44 6.074 -10.601 -16.345 1.00 71.02 N ATOM 680 CA GLY A 44 7.411 -10.903 -15.869 1.00 1.20 C ATOM 681 C GLY A 44 8.114 -9.685 -15.304 1.00 0.41 C ATOM 682 O GLY A 44 9.106 -9.810 -14.587 1.00 21.10 O ATOM 0 H GLY A 44 5.346 -10.640 -15.632 1.00 71.02 H new ATOM 0 HA2 GLY A 44 7.354 -11.675 -15.101 1.00 1.20 H new ATOM 0 HA3 GLY A 44 8.002 -11.312 -16.689 1.00 1.20 H new ATOM 686 N GLU A 45 7.600 -8.503 -15.629 1.00 14.52 N ATOM 687 CA GLU A 45 8.187 -7.257 -15.150 1.00 2.10 C ATOM 688 C GLU A 45 7.697 -6.930 -13.743 1.00 13.45 C ATOM 689 O GLU A 45 6.664 -7.434 -13.300 1.00 10.20 O ATOM 690 CB GLU A 45 7.846 -6.108 -16.101 1.00 2.41 C ATOM 691 CG GLU A 45 8.614 -4.829 -15.810 1.00 52.11 C ATOM 692 CD GLU A 45 8.996 -4.078 -17.071 1.00 74.20 C ATOM 693 OE1 GLU A 45 8.135 -3.943 -17.965 1.00 53.52 O ATOM 694 OE2 GLU A 45 10.156 -3.626 -17.163 1.00 23.10 O ATOM 0 H GLU A 45 6.779 -8.382 -16.222 1.00 14.52 H new ATOM 0 HA GLU A 45 9.269 -7.384 -15.118 1.00 2.10 H new ATOM 0 HB2 GLU A 45 8.053 -6.421 -17.124 1.00 2.41 H new ATOM 0 HB3 GLU A 45 6.777 -5.902 -16.040 1.00 2.41 H new ATOM 0 HG2 GLU A 45 8.008 -4.182 -15.176 1.00 52.11 H new ATOM 0 HG3 GLU A 45 9.516 -5.071 -15.248 1.00 52.11 H new ATOM 701 N HIS A 46 8.445 -6.082 -13.043 1.00 62.34 N ATOM 702 CA HIS A 46 8.087 -5.687 -11.686 1.00 23.03 C ATOM 703 C HIS A 46 7.236 -4.421 -11.695 1.00 42.30 C ATOM 704 O HIS A 46 7.484 -3.499 -12.473 1.00 61.51 O ATOM 705 CB HIS A 46 9.347 -5.463 -10.848 1.00 52.25 C ATOM 706 CG HIS A 46 10.475 -6.381 -11.206 1.00 32.14 C ATOM 707 ND1 HIS A 46 10.698 -7.582 -10.566 1.00 64.45 N ATOM 708 CD2 HIS A 46 11.445 -6.269 -12.143 1.00 74.32 C ATOM 709 CE1 HIS A 46 11.758 -8.169 -11.094 1.00 50.23 C ATOM 710 NE2 HIS A 46 12.229 -7.393 -12.054 1.00 1.34 N ATOM 0 H HIS A 46 9.303 -5.656 -13.394 1.00 62.34 H new ATOM 0 HA HIS A 46 7.503 -6.493 -11.242 1.00 23.03 H new ATOM 0 HB2 HIS A 46 9.676 -4.431 -10.970 1.00 52.25 H new ATOM 0 HB3 HIS A 46 9.101 -5.596 -9.794 1.00 52.25 H new ATOM 0 HD2 HIS A 46 11.578 -5.448 -12.832 1.00 74.32 H new ATOM 0 HE1 HIS A 46 12.169 -9.121 -10.792 1.00 50.23 H new ATOM 0 HE2 HIS A 46 13.043 -7.596 -12.635 1.00 1.34 H new ATOM 718 N VAL A 47 6.231 -4.382 -10.826 1.00 24.44 N ATOM 719 CA VAL A 47 5.344 -3.229 -10.734 1.00 33.45 C ATOM 720 C VAL A 47 4.712 -3.132 -9.350 1.00 15.33 C ATOM 721 O VAL A 47 4.360 -4.144 -8.745 1.00 55.11 O ATOM 722 CB VAL A 47 4.227 -3.295 -11.793 1.00 2.45 C ATOM 723 CG1 VAL A 47 4.820 -3.314 -13.193 1.00 60.12 C ATOM 724 CG2 VAL A 47 3.345 -4.512 -11.561 1.00 54.23 C ATOM 0 H VAL A 47 6.011 -5.136 -10.175 1.00 24.44 H new ATOM 0 HA VAL A 47 5.954 -2.344 -10.915 1.00 33.45 H new ATOM 0 HB VAL A 47 3.607 -2.403 -11.699 1.00 2.45 H new ATOM 0 HG11 VAL A 47 4.016 -3.361 -13.928 1.00 60.12 H new ATOM 0 HG12 VAL A 47 5.405 -2.408 -13.353 1.00 60.12 H new ATOM 0 HG13 VAL A 47 5.464 -4.186 -13.304 1.00 60.12 H new ATOM 0 HG21 VAL A 47 2.561 -4.543 -12.318 1.00 54.23 H new ATOM 0 HG22 VAL A 47 3.949 -5.417 -11.627 1.00 54.23 H new ATOM 0 HG23 VAL A 47 2.892 -4.449 -10.572 1.00 54.23 H new ATOM 734 N GLU A 48 4.570 -1.906 -8.855 1.00 24.03 N ATOM 735 CA GLU A 48 3.980 -1.677 -7.541 1.00 44.31 C ATOM 736 C GLU A 48 2.457 -1.636 -7.628 1.00 44.03 C ATOM 737 O GLU A 48 1.890 -1.473 -8.709 1.00 5.21 O ATOM 738 CB GLU A 48 4.503 -0.368 -6.944 1.00 21.51 C ATOM 739 CG GLU A 48 4.247 -0.235 -5.452 1.00 72.12 C ATOM 740 CD GLU A 48 4.883 1.007 -4.860 1.00 5.13 C ATOM 741 OE1 GLU A 48 4.857 2.063 -5.525 1.00 52.23 O ATOM 742 OE2 GLU A 48 5.408 0.922 -3.730 1.00 3.45 O ATOM 0 H GLU A 48 4.855 -1.057 -9.344 1.00 24.03 H new ATOM 0 HA GLU A 48 4.268 -2.505 -6.893 1.00 44.31 H new ATOM 0 HB2 GLU A 48 5.575 -0.297 -7.128 1.00 21.51 H new ATOM 0 HB3 GLU A 48 4.035 0.470 -7.461 1.00 21.51 H new ATOM 0 HG2 GLU A 48 3.172 -0.209 -5.272 1.00 72.12 H new ATOM 0 HG3 GLU A 48 4.635 -1.116 -4.941 1.00 72.12 H new ATOM 749 N PHE A 49 1.801 -1.786 -6.483 1.00 31.23 N ATOM 750 CA PHE A 49 0.344 -1.768 -6.429 1.00 33.44 C ATOM 751 C PHE A 49 -0.145 -1.579 -4.996 1.00 31.04 C ATOM 752 O PHE A 49 0.298 -2.273 -4.081 1.00 63.14 O ATOM 753 CB PHE A 49 -0.225 -3.066 -7.006 1.00 71.12 C ATOM 754 CG PHE A 49 0.103 -4.281 -6.187 1.00 22.40 C ATOM 755 CD1 PHE A 49 1.304 -4.950 -6.365 1.00 11.40 C ATOM 756 CD2 PHE A 49 -0.789 -4.756 -5.239 1.00 72.02 C ATOM 757 CE1 PHE A 49 1.609 -6.068 -5.613 1.00 23.15 C ATOM 758 CE2 PHE A 49 -0.489 -5.874 -4.484 1.00 10.44 C ATOM 759 CZ PHE A 49 0.711 -6.531 -4.671 1.00 60.23 C ATOM 0 H PHE A 49 2.255 -1.921 -5.580 1.00 31.23 H new ATOM 0 HA PHE A 49 -0.006 -0.927 -7.028 1.00 33.44 H new ATOM 0 HB2 PHE A 49 -1.308 -2.974 -7.087 1.00 71.12 H new ATOM 0 HB3 PHE A 49 0.160 -3.204 -8.016 1.00 71.12 H new ATOM 0 HD1 PHE A 49 2.010 -4.593 -7.100 1.00 11.40 H new ATOM 0 HD2 PHE A 49 -1.729 -4.247 -5.088 1.00 72.02 H new ATOM 0 HE1 PHE A 49 2.549 -6.579 -5.761 1.00 23.15 H new ATOM 0 HE2 PHE A 49 -1.193 -6.234 -3.748 1.00 10.44 H new ATOM 0 HZ PHE A 49 0.947 -7.405 -4.082 1.00 60.23 H new ATOM 769 N GLU A 50 -1.061 -0.634 -4.809 1.00 51.21 N ATOM 770 CA GLU A 50 -1.609 -0.352 -3.487 1.00 61.14 C ATOM 771 C GLU A 50 -2.978 -1.003 -3.316 1.00 73.30 C ATOM 772 O GLU A 50 -3.985 -0.497 -3.811 1.00 14.21 O ATOM 773 CB GLU A 50 -1.719 1.158 -3.268 1.00 11.21 C ATOM 774 CG GLU A 50 -0.396 1.821 -2.922 1.00 14.01 C ATOM 775 CD GLU A 50 -0.556 3.283 -2.550 1.00 61.53 C ATOM 776 OE1 GLU A 50 -1.708 3.721 -2.352 1.00 13.12 O ATOM 777 OE2 GLU A 50 0.471 3.987 -2.458 1.00 54.34 O ATOM 0 H GLU A 50 -1.439 -0.051 -5.556 1.00 51.21 H new ATOM 0 HA GLU A 50 -0.931 -0.771 -2.743 1.00 61.14 H new ATOM 0 HB2 GLU A 50 -2.122 1.619 -4.170 1.00 11.21 H new ATOM 0 HB3 GLU A 50 -2.432 1.349 -2.466 1.00 11.21 H new ATOM 0 HG2 GLU A 50 0.068 1.287 -2.092 1.00 14.01 H new ATOM 0 HG3 GLU A 50 0.281 1.738 -3.772 1.00 14.01 H new ATOM 784 N VAL A 51 -3.007 -2.130 -2.612 1.00 32.33 N ATOM 785 CA VAL A 51 -4.252 -2.852 -2.374 1.00 2.51 C ATOM 786 C VAL A 51 -5.225 -2.012 -1.555 1.00 35.05 C ATOM 787 O VAL A 51 -4.882 -1.517 -0.482 1.00 11.04 O ATOM 788 CB VAL A 51 -3.998 -4.183 -1.643 1.00 21.23 C ATOM 789 CG1 VAL A 51 -3.092 -5.082 -2.470 1.00 31.51 C ATOM 790 CG2 VAL A 51 -3.399 -3.930 -0.267 1.00 53.44 C ATOM 0 H VAL A 51 -2.182 -2.563 -2.196 1.00 32.33 H new ATOM 0 HA VAL A 51 -4.689 -3.061 -3.350 1.00 2.51 H new ATOM 0 HB VAL A 51 -4.953 -4.692 -1.510 1.00 21.23 H new ATOM 0 HG11 VAL A 51 -2.924 -6.018 -1.937 1.00 31.51 H new ATOM 0 HG12 VAL A 51 -3.564 -5.291 -3.430 1.00 31.51 H new ATOM 0 HG13 VAL A 51 -2.138 -4.583 -2.636 1.00 31.51 H new ATOM 0 HG21 VAL A 51 -3.226 -4.882 0.235 1.00 53.44 H new ATOM 0 HG22 VAL A 51 -2.453 -3.399 -0.374 1.00 53.44 H new ATOM 0 HG23 VAL A 51 -4.088 -3.328 0.325 1.00 53.44 H new ATOM 800 N GLU A 52 -6.442 -1.857 -2.068 1.00 2.30 N ATOM 801 CA GLU A 52 -7.466 -1.076 -1.383 1.00 25.31 C ATOM 802 C GLU A 52 -8.701 -1.927 -1.101 1.00 64.11 C ATOM 803 O GLU A 52 -8.909 -2.982 -1.701 1.00 1.11 O ATOM 804 CB GLU A 52 -7.854 0.144 -2.220 1.00 44.14 C ATOM 805 CG GLU A 52 -7.023 1.380 -1.917 1.00 62.41 C ATOM 806 CD GLU A 52 -7.021 1.734 -0.443 1.00 13.13 C ATOM 807 OE1 GLU A 52 -6.149 1.224 0.290 1.00 64.41 O ATOM 808 OE2 GLU A 52 -7.894 2.523 -0.022 1.00 24.30 O ATOM 0 H GLU A 52 -6.743 -2.262 -2.955 1.00 2.30 H new ATOM 0 HA GLU A 52 -7.054 -0.738 -0.432 1.00 25.31 H new ATOM 0 HB2 GLU A 52 -7.750 -0.103 -3.277 1.00 44.14 H new ATOM 0 HB3 GLU A 52 -8.906 0.373 -2.048 1.00 44.14 H new ATOM 0 HG2 GLU A 52 -5.998 1.214 -2.248 1.00 62.41 H new ATOM 0 HG3 GLU A 52 -7.411 2.223 -2.489 1.00 62.41 H new ATOM 815 N PRO A 53 -9.540 -1.459 -0.166 1.00 11.04 N ATOM 816 CA PRO A 53 -10.769 -2.161 0.218 1.00 42.42 C ATOM 817 C PRO A 53 -11.823 -2.128 -0.884 1.00 24.32 C ATOM 818 O PRO A 53 -11.868 -3.011 -1.739 1.00 65.23 O ATOM 819 CB PRO A 53 -11.253 -1.383 1.444 1.00 32.12 C ATOM 820 CG PRO A 53 -10.677 -0.019 1.280 1.00 71.12 C ATOM 821 CD PRO A 53 -9.355 -0.208 0.590 1.00 63.54 C ATOM 0 HA PRO A 53 -10.591 -3.219 0.410 1.00 42.42 H new ATOM 0 HB2 PRO A 53 -12.342 -1.350 1.487 1.00 32.12 H new ATOM 0 HB3 PRO A 53 -10.911 -1.848 2.368 1.00 32.12 H new ATOM 0 HG2 PRO A 53 -11.338 0.615 0.690 1.00 71.12 H new ATOM 0 HG3 PRO A 53 -10.547 0.468 2.246 1.00 71.12 H new ATOM 0 HD2 PRO A 53 -9.122 0.629 -0.069 1.00 63.54 H new ATOM 0 HD3 PRO A 53 -8.536 -0.288 1.305 1.00 63.54 H new ATOM 829 N GLY A 54 -12.670 -1.104 -0.857 1.00 5.53 N ATOM 830 CA GLY A 54 -13.711 -0.976 -1.859 1.00 14.42 C ATOM 831 C GLY A 54 -13.183 -0.457 -3.181 1.00 51.44 C ATOM 832 O GLY A 54 -13.585 0.612 -3.641 1.00 50.35 O ATOM 0 H GLY A 54 -12.654 -0.361 -0.159 1.00 5.53 H new ATOM 0 HA2 GLY A 54 -14.182 -1.947 -2.015 1.00 14.42 H new ATOM 0 HA3 GLY A 54 -14.485 -0.302 -1.491 1.00 14.42 H new ATOM 836 N ARG A 55 -12.279 -1.214 -3.794 1.00 3.33 N ATOM 837 CA ARG A 55 -11.692 -0.822 -5.070 1.00 35.41 C ATOM 838 C ARG A 55 -11.739 -1.977 -6.066 1.00 63.13 C ATOM 839 O ARG A 55 -12.034 -1.782 -7.245 1.00 23.33 O ATOM 840 CB ARG A 55 -10.247 -0.363 -4.872 1.00 23.32 C ATOM 841 CG ARG A 55 -9.645 0.300 -6.100 1.00 24.12 C ATOM 842 CD ARG A 55 -10.268 1.662 -6.359 1.00 51.42 C ATOM 843 NE ARG A 55 -10.311 1.982 -7.783 1.00 53.45 N ATOM 844 CZ ARG A 55 -11.062 2.951 -8.297 1.00 22.13 C ATOM 845 NH1 ARG A 55 -11.827 3.690 -7.506 1.00 53.42 N ATOM 846 NH2 ARG A 55 -11.047 3.181 -9.603 1.00 51.53 N ATOM 0 H ARG A 55 -11.937 -2.102 -3.428 1.00 3.33 H new ATOM 0 HA ARG A 55 -12.276 0.006 -5.472 1.00 35.41 H new ATOM 0 HB2 ARG A 55 -10.208 0.336 -4.036 1.00 23.32 H new ATOM 0 HB3 ARG A 55 -9.636 -1.223 -4.597 1.00 23.32 H new ATOM 0 HG2 ARG A 55 -8.569 0.411 -5.965 1.00 24.12 H new ATOM 0 HG3 ARG A 55 -9.793 -0.340 -6.970 1.00 24.12 H new ATOM 0 HD2 ARG A 55 -11.279 1.681 -5.952 1.00 51.42 H new ATOM 0 HD3 ARG A 55 -9.698 2.427 -5.832 1.00 51.42 H new ATOM 0 HE ARG A 55 -9.733 1.432 -8.418 1.00 53.45 H new ATOM 0 HH11 ARG A 55 -11.840 3.516 -6.501 1.00 53.42 H new ATOM 0 HH12 ARG A 55 -12.403 4.433 -7.902 1.00 53.42 H new ATOM 0 HH21 ARG A 55 -10.459 2.614 -10.214 1.00 51.53 H new ATOM 0 HH22 ARG A 55 -11.624 3.925 -9.997 1.00 51.53 H new ATOM 860 N GLY A 56 -11.444 -3.181 -5.584 1.00 13.31 N ATOM 861 CA GLY A 56 -11.457 -4.349 -6.445 1.00 54.32 C ATOM 862 C GLY A 56 -12.554 -5.328 -6.077 1.00 23.51 C ATOM 863 O GLY A 56 -12.923 -5.447 -4.909 1.00 71.54 O ATOM 0 H GLY A 56 -11.196 -3.368 -4.612 1.00 13.31 H new ATOM 0 HA2 GLY A 56 -11.589 -4.032 -7.480 1.00 54.32 H new ATOM 0 HA3 GLY A 56 -10.491 -4.851 -6.386 1.00 54.32 H new ATOM 867 N GLY A 57 -13.077 -6.032 -7.076 1.00 53.14 N ATOM 868 CA GLY A 57 -14.134 -6.996 -6.831 1.00 52.34 C ATOM 869 C GLY A 57 -13.804 -7.942 -5.694 1.00 64.03 C ATOM 870 O GLY A 57 -14.560 -8.054 -4.730 1.00 34.43 O ATOM 0 H GLY A 57 -12.788 -5.952 -8.051 1.00 53.14 H new ATOM 0 HA2 GLY A 57 -15.059 -6.466 -6.602 1.00 52.34 H new ATOM 0 HA3 GLY A 57 -14.313 -7.572 -7.739 1.00 52.34 H new ATOM 874 N LYS A 58 -12.670 -8.627 -5.807 1.00 14.40 N ATOM 875 CA LYS A 58 -12.240 -9.569 -4.781 1.00 72.21 C ATOM 876 C LYS A 58 -11.873 -8.840 -3.492 1.00 60.53 C ATOM 877 O LYS A 58 -11.725 -9.459 -2.439 1.00 3.50 O ATOM 878 CB LYS A 58 -11.044 -10.384 -5.277 1.00 44.14 C ATOM 879 CG LYS A 58 -11.430 -11.715 -5.899 1.00 2.10 C ATOM 880 CD LYS A 58 -11.138 -12.874 -4.961 1.00 13.04 C ATOM 881 CE LYS A 58 -12.390 -13.321 -4.221 1.00 51.13 C ATOM 882 NZ LYS A 58 -13.390 -13.931 -5.141 1.00 43.23 N ATOM 0 H LYS A 58 -12.033 -8.547 -6.599 1.00 14.40 H new ATOM 0 HA LYS A 58 -13.070 -10.244 -4.572 1.00 72.21 H new ATOM 0 HB2 LYS A 58 -10.494 -9.796 -6.011 1.00 44.14 H new ATOM 0 HB3 LYS A 58 -10.367 -10.565 -4.442 1.00 44.14 H new ATOM 0 HG2 LYS A 58 -12.491 -11.707 -6.149 1.00 2.10 H new ATOM 0 HG3 LYS A 58 -10.883 -11.854 -6.832 1.00 2.10 H new ATOM 0 HD2 LYS A 58 -10.732 -13.711 -5.530 1.00 13.04 H new ATOM 0 HD3 LYS A 58 -10.375 -12.578 -4.241 1.00 13.04 H new ATOM 0 HE2 LYS A 58 -12.118 -14.042 -3.450 1.00 51.13 H new ATOM 0 HE3 LYS A 58 -12.837 -12.466 -3.714 1.00 51.13 H new ATOM 0 HZ1 LYS A 58 -14.002 -14.581 -4.607 1.00 43.23 H new ATOM 0 HZ2 LYS A 58 -13.971 -13.182 -5.569 1.00 43.23 H new ATOM 0 HZ3 LYS A 58 -12.897 -14.457 -5.891 1.00 43.23 H new ATOM 896 N GLY A 59 -11.729 -7.522 -3.584 1.00 1.34 N ATOM 897 CA GLY A 59 -11.382 -6.731 -2.417 1.00 42.14 C ATOM 898 C GLY A 59 -10.133 -5.899 -2.632 1.00 23.34 C ATOM 899 O GLY A 59 -10.198 -4.700 -2.901 1.00 15.31 O ATOM 0 H GLY A 59 -11.846 -6.988 -4.445 1.00 1.34 H new ATOM 0 HA2 GLY A 59 -12.214 -6.073 -2.167 1.00 42.14 H new ATOM 0 HA3 GLY A 59 -11.232 -7.393 -1.564 1.00 42.14 H new ATOM 903 N PRO A 60 -8.961 -6.541 -2.510 1.00 74.40 N ATOM 904 CA PRO A 60 -7.669 -5.872 -2.687 1.00 55.22 C ATOM 905 C PRO A 60 -7.415 -5.478 -4.138 1.00 63.22 C ATOM 906 O PRO A 60 -7.249 -6.338 -5.003 1.00 45.42 O ATOM 907 CB PRO A 60 -6.658 -6.927 -2.234 1.00 22.40 C ATOM 908 CG PRO A 60 -7.349 -8.230 -2.446 1.00 31.05 C ATOM 909 CD PRO A 60 -8.808 -7.971 -2.191 1.00 12.33 C ATOM 0 HA PRO A 60 -7.612 -4.940 -2.125 1.00 55.22 H new ATOM 0 HB2 PRO A 60 -5.737 -6.868 -2.815 1.00 22.40 H new ATOM 0 HB3 PRO A 60 -6.384 -6.790 -1.188 1.00 22.40 H new ATOM 0 HG2 PRO A 60 -7.189 -8.596 -3.460 1.00 31.05 H new ATOM 0 HG3 PRO A 60 -6.963 -8.991 -1.768 1.00 31.05 H new ATOM 0 HD2 PRO A 60 -9.443 -8.594 -2.821 1.00 12.33 H new ATOM 0 HD3 PRO A 60 -9.079 -8.183 -1.157 1.00 12.33 H new ATOM 917 N GLN A 61 -7.385 -4.175 -4.396 1.00 51.24 N ATOM 918 CA GLN A 61 -7.151 -3.669 -5.744 1.00 4.44 C ATOM 919 C GLN A 61 -5.856 -2.865 -5.805 1.00 50.34 C ATOM 920 O GLN A 61 -5.307 -2.474 -4.776 1.00 23.43 O ATOM 921 CB GLN A 61 -8.326 -2.801 -6.197 1.00 1.32 C ATOM 922 CG GLN A 61 -8.731 -3.033 -7.644 1.00 11.45 C ATOM 923 CD GLN A 61 -7.994 -2.125 -8.609 1.00 21.24 C ATOM 924 OE1 GLN A 61 -7.485 -1.072 -8.223 1.00 62.42 O ATOM 925 NE2 GLN A 61 -7.933 -2.529 -9.872 1.00 63.41 N ATOM 0 H GLN A 61 -7.520 -3.451 -3.691 1.00 51.24 H new ATOM 0 HA GLN A 61 -7.060 -4.523 -6.415 1.00 4.44 H new ATOM 0 HB2 GLN A 61 -9.183 -2.998 -5.552 1.00 1.32 H new ATOM 0 HB3 GLN A 61 -8.063 -1.751 -6.066 1.00 1.32 H new ATOM 0 HG2 GLN A 61 -8.538 -4.072 -7.909 1.00 11.45 H new ATOM 0 HG3 GLN A 61 -9.804 -2.872 -7.747 1.00 11.45 H new ATOM 0 HE21 GLN A 61 -8.369 -3.409 -10.148 1.00 63.41 H new ATOM 0 HE22 GLN A 61 -7.450 -1.960 -10.567 1.00 63.41 H new ATOM 934 N ALA A 62 -5.374 -2.621 -7.020 1.00 22.43 N ATOM 935 CA ALA A 62 -4.145 -1.863 -7.216 1.00 3.34 C ATOM 936 C ALA A 62 -4.427 -0.365 -7.274 1.00 73.44 C ATOM 937 O ALA A 62 -4.092 0.303 -8.253 1.00 32.51 O ATOM 938 CB ALA A 62 -3.440 -2.319 -8.484 1.00 45.13 C ATOM 0 H ALA A 62 -5.816 -2.938 -7.883 1.00 22.43 H new ATOM 0 HA ALA A 62 -3.492 -2.050 -6.364 1.00 3.34 H new ATOM 0 HB1 ALA A 62 -2.524 -1.744 -8.618 1.00 45.13 H new ATOM 0 HB2 ALA A 62 -3.195 -3.378 -8.404 1.00 45.13 H new ATOM 0 HB3 ALA A 62 -4.095 -2.162 -9.341 1.00 45.13 H new ATOM 944 N LYS A 63 -5.047 0.157 -6.221 1.00 63.13 N ATOM 945 CA LYS A 63 -5.375 1.576 -6.152 1.00 25.12 C ATOM 946 C LYS A 63 -4.214 2.428 -6.656 1.00 72.23 C ATOM 947 O LYS A 63 -4.419 3.439 -7.328 1.00 2.45 O ATOM 948 CB LYS A 63 -5.723 1.970 -4.715 1.00 14.11 C ATOM 949 CG LYS A 63 -6.055 3.443 -4.552 1.00 13.32 C ATOM 950 CD LYS A 63 -7.491 3.739 -4.953 1.00 2.23 C ATOM 951 CE LYS A 63 -7.625 3.909 -6.458 1.00 52.12 C ATOM 952 NZ LYS A 63 -8.713 4.862 -6.814 1.00 33.51 N ATOM 0 H LYS A 63 -5.333 -0.382 -5.403 1.00 63.13 H new ATOM 0 HA LYS A 63 -6.239 1.755 -6.792 1.00 25.12 H new ATOM 0 HB2 LYS A 63 -6.573 1.375 -4.380 1.00 14.11 H new ATOM 0 HB3 LYS A 63 -4.884 1.721 -4.065 1.00 14.11 H new ATOM 0 HG2 LYS A 63 -5.897 3.740 -3.515 1.00 13.32 H new ATOM 0 HG3 LYS A 63 -5.376 4.040 -5.161 1.00 13.32 H new ATOM 0 HD2 LYS A 63 -8.138 2.928 -4.618 1.00 2.23 H new ATOM 0 HD3 LYS A 63 -7.831 4.645 -4.452 1.00 2.23 H new ATOM 0 HE2 LYS A 63 -6.681 4.266 -6.869 1.00 52.12 H new ATOM 0 HE3 LYS A 63 -7.826 2.941 -6.916 1.00 52.12 H new ATOM 0 HZ1 LYS A 63 -8.772 4.950 -7.849 1.00 33.51 H new ATOM 0 HZ2 LYS A 63 -9.619 4.509 -6.444 1.00 33.51 H new ATOM 0 HZ3 LYS A 63 -8.509 5.793 -6.398 1.00 33.51 H new ATOM 966 N LYS A 64 -2.995 2.012 -6.330 1.00 72.43 N ATOM 967 CA LYS A 64 -1.801 2.734 -6.752 1.00 51.23 C ATOM 968 C LYS A 64 -0.775 1.782 -7.358 1.00 42.21 C ATOM 969 O LYS A 64 -0.005 1.144 -6.640 1.00 34.22 O ATOM 970 CB LYS A 64 -1.184 3.478 -5.566 1.00 12.22 C ATOM 971 CG LYS A 64 -0.807 4.916 -5.879 1.00 33.12 C ATOM 972 CD LYS A 64 -2.034 5.763 -6.171 1.00 15.24 C ATOM 973 CE LYS A 64 -2.949 5.855 -4.959 1.00 14.00 C ATOM 974 NZ LYS A 64 -3.983 6.914 -5.124 1.00 33.13 N ATOM 0 H LYS A 64 -2.808 1.177 -5.774 1.00 72.43 H new ATOM 0 HA LYS A 64 -2.094 3.457 -7.514 1.00 51.23 H new ATOM 0 HB2 LYS A 64 -1.890 3.469 -4.735 1.00 12.22 H new ATOM 0 HB3 LYS A 64 -0.295 2.942 -5.235 1.00 12.22 H new ATOM 0 HG2 LYS A 64 -0.262 5.342 -5.037 1.00 33.12 H new ATOM 0 HG3 LYS A 64 -0.136 4.939 -6.737 1.00 33.12 H new ATOM 0 HD2 LYS A 64 -1.724 6.764 -6.471 1.00 15.24 H new ATOM 0 HD3 LYS A 64 -2.582 5.335 -7.010 1.00 15.24 H new ATOM 0 HE2 LYS A 64 -3.436 4.893 -4.798 1.00 14.00 H new ATOM 0 HE3 LYS A 64 -2.354 6.064 -4.070 1.00 14.00 H new ATOM 0 HZ1 LYS A 64 -4.586 6.945 -4.277 1.00 33.13 H new ATOM 0 HZ2 LYS A 64 -3.519 7.836 -5.252 1.00 33.13 H new ATOM 0 HZ3 LYS A 64 -4.567 6.702 -5.958 1.00 33.13 H new ATOM 988 N VAL A 65 -0.768 1.693 -8.684 1.00 63.34 N ATOM 989 CA VAL A 65 0.166 0.821 -9.387 1.00 20.31 C ATOM 990 C VAL A 65 1.266 1.628 -10.068 1.00 32.24 C ATOM 991 O VAL A 65 1.007 2.683 -10.647 1.00 4.13 O ATOM 992 CB VAL A 65 -0.554 -0.038 -10.443 1.00 53.14 C ATOM 993 CG1 VAL A 65 0.148 0.069 -11.788 1.00 45.12 C ATOM 994 CG2 VAL A 65 -0.633 -1.487 -9.988 1.00 35.12 C ATOM 0 H VAL A 65 -1.399 2.214 -9.293 1.00 63.34 H new ATOM 0 HA VAL A 65 0.611 0.166 -8.638 1.00 20.31 H new ATOM 0 HB VAL A 65 -1.570 0.338 -10.560 1.00 53.14 H new ATOM 0 HG11 VAL A 65 -0.375 -0.545 -12.521 1.00 45.12 H new ATOM 0 HG12 VAL A 65 0.147 1.108 -12.117 1.00 45.12 H new ATOM 0 HG13 VAL A 65 1.176 -0.280 -11.691 1.00 45.12 H new ATOM 0 HG21 VAL A 65 -1.145 -2.079 -10.747 1.00 35.12 H new ATOM 0 HG22 VAL A 65 0.374 -1.878 -9.841 1.00 35.12 H new ATOM 0 HG23 VAL A 65 -1.185 -1.544 -9.050 1.00 35.12 H new ATOM 1004 N ARG A 66 2.493 1.124 -9.994 1.00 45.22 N ATOM 1005 CA ARG A 66 3.634 1.799 -10.603 1.00 34.21 C ATOM 1006 C ARG A 66 4.470 0.820 -11.422 1.00 4.50 C ATOM 1007 O ARG A 66 4.508 -0.375 -11.131 1.00 34.14 O ATOM 1008 CB ARG A 66 4.502 2.451 -9.526 1.00 12.54 C ATOM 1009 CG ARG A 66 3.835 3.632 -8.839 1.00 44.51 C ATOM 1010 CD ARG A 66 4.862 4.626 -8.318 1.00 20.21 C ATOM 1011 NE ARG A 66 5.212 5.628 -9.321 1.00 10.23 N ATOM 1012 CZ ARG A 66 5.959 6.696 -9.063 1.00 12.11 C ATOM 1013 NH1 ARG A 66 6.432 6.899 -7.841 1.00 50.02 N ATOM 1014 NH2 ARG A 66 6.234 7.564 -10.029 1.00 20.53 N ATOM 0 H ARG A 66 2.723 0.251 -9.519 1.00 45.22 H new ATOM 0 HA ARG A 66 3.254 2.572 -11.270 1.00 34.21 H new ATOM 0 HB2 ARG A 66 4.759 1.703 -8.776 1.00 12.54 H new ATOM 0 HB3 ARG A 66 5.437 2.784 -9.977 1.00 12.54 H new ATOM 0 HG2 ARG A 66 3.166 4.132 -9.540 1.00 44.51 H new ATOM 0 HG3 ARG A 66 3.221 3.274 -8.012 1.00 44.51 H new ATOM 0 HD2 ARG A 66 4.468 5.123 -7.431 1.00 20.21 H new ATOM 0 HD3 ARG A 66 5.761 4.091 -8.011 1.00 20.21 H new ATOM 0 HE ARG A 66 4.864 5.501 -10.271 1.00 10.23 H new ATOM 0 HH11 ARG A 66 6.223 6.234 -7.096 1.00 50.02 H new ATOM 0 HH12 ARG A 66 7.005 7.720 -7.646 1.00 50.02 H new ATOM 0 HH21 ARG A 66 5.872 7.411 -10.970 1.00 20.53 H new ATOM 0 HH22 ARG A 66 6.808 8.384 -9.830 1.00 20.53 H new ATOM 1028 N ARG A 67 5.140 1.337 -12.448 1.00 34.34 N ATOM 1029 CA ARG A 67 5.974 0.509 -13.310 1.00 22.42 C ATOM 1030 C ARG A 67 7.378 0.362 -12.729 1.00 72.24 C ATOM 1031 O ARG A 67 7.973 1.335 -12.265 1.00 33.31 O ATOM 1032 CB ARG A 67 6.052 1.113 -14.713 1.00 74.41 C ATOM 1033 CG ARG A 67 6.504 2.563 -14.728 1.00 5.53 C ATOM 1034 CD ARG A 67 7.373 2.864 -15.939 1.00 25.31 C ATOM 1035 NE ARG A 67 6.829 3.952 -16.747 1.00 22.31 N ATOM 1036 CZ ARG A 67 5.775 3.819 -17.544 1.00 32.21 C ATOM 1037 NH1 ARG A 67 5.154 2.651 -17.639 1.00 24.12 N ATOM 1038 NH2 ARG A 67 5.339 4.856 -18.248 1.00 32.32 N ATOM 0 H ARG A 67 5.121 2.325 -12.702 1.00 34.34 H new ATOM 0 HA ARG A 67 5.519 -0.480 -13.372 1.00 22.42 H new ATOM 0 HB2 ARG A 67 6.740 0.521 -15.316 1.00 74.41 H new ATOM 0 HB3 ARG A 67 5.072 1.042 -15.185 1.00 74.41 H new ATOM 0 HG2 ARG A 67 5.632 3.217 -14.733 1.00 5.53 H new ATOM 0 HG3 ARG A 67 7.060 2.781 -13.816 1.00 5.53 H new ATOM 0 HD2 ARG A 67 8.378 3.126 -15.608 1.00 25.31 H new ATOM 0 HD3 ARG A 67 7.463 1.967 -16.552 1.00 25.31 H new ATOM 0 HE ARG A 67 7.283 4.864 -16.696 1.00 22.31 H new ATOM 0 HH11 ARG A 67 5.486 1.852 -17.099 1.00 24.12 H new ATOM 0 HH12 ARG A 67 4.345 2.552 -18.252 1.00 24.12 H new ATOM 0 HH21 ARG A 67 5.813 5.756 -18.177 1.00 32.32 H new ATOM 0 HH22 ARG A 67 4.529 4.753 -18.860 1.00 32.32 H new ATOM 1052 N ILE A 68 7.900 -0.860 -12.759 1.00 51.42 N ATOM 1053 CA ILE A 68 9.233 -1.133 -12.237 1.00 10.01 C ATOM 1054 C ILE A 68 9.975 -2.131 -13.119 1.00 31.51 C ATOM 1055 O ILE A 68 9.847 -3.344 -12.946 1.00 53.43 O ATOM 1056 CB ILE A 68 9.173 -1.681 -10.799 1.00 33.11 C ATOM 1057 CG1 ILE A 68 8.229 -0.832 -9.945 1.00 50.52 C ATOM 1058 CG2 ILE A 68 10.565 -1.714 -10.186 1.00 33.50 C ATOM 1059 CD1 ILE A 68 8.618 -0.779 -8.484 1.00 71.33 C ATOM 0 H ILE A 68 7.420 -1.676 -13.139 1.00 51.42 H new ATOM 0 HA ILE A 68 9.771 -0.185 -12.234 1.00 10.01 H new ATOM 0 HB ILE A 68 8.787 -2.700 -10.830 1.00 33.11 H new ATOM 0 HG12 ILE A 68 8.205 0.182 -10.343 1.00 50.52 H new ATOM 0 HG13 ILE A 68 7.218 -1.231 -10.029 1.00 50.52 H new ATOM 0 HG21 ILE A 68 10.506 -2.104 -9.170 1.00 33.50 H new ATOM 0 HG22 ILE A 68 11.211 -2.357 -10.784 1.00 33.50 H new ATOM 0 HG23 ILE A 68 10.977 -0.705 -10.164 1.00 33.50 H new ATOM 0 HD11 ILE A 68 7.905 -0.160 -7.940 1.00 71.33 H new ATOM 0 HD12 ILE A 68 8.614 -1.787 -8.070 1.00 71.33 H new ATOM 0 HD13 ILE A 68 9.616 -0.352 -8.389 1.00 71.33 H new TER 1071 ILE A 68