USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 820 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 43 THR OG1 : rot -120:sc= 0.473 USER MOD Set 1.2: A 46 ASN : amide:sc= 0.709 K(o=1.2,f=0.65) USER MOD Single : A 18 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -1.21 (180deg=-1.88) USER MOD Single : A 32 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 33 LYS NZ :NH3+ -111:sc= 0.962 (180deg=0.627) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 157:sc= -0.0144 (180deg=-0.927) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= -0.0141 (180deg=-0.209) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0414 (180deg=-0.323) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.59) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0395 (180deg=-0.273) USER MOD Single : A 63 THR OG1 : rot 10:sc= 0.709 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 85:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -42:sc= 1.15 USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0.577) USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0837 (180deg=-0.498) USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= 1.47 (180deg=0.774) USER MOD Single : A 82 THR OG1 : rot 26:sc= 1.56 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 143:sc= -1.18 (180deg=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= 0.546 (180deg=0.413) USER MOD Single : A 100 GLN :FLIP amide:sc= 0.489 F(o=-2.2!,f=0.49) USER MOD Single : A 101 SER OG : rot 180:sc= -0.188 USER MOD Single : A 102 LYS NZ :NH3+ 173:sc= 0.292 (180deg=0.0216) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.553 K(o=0.55,f=-0.043) USER MOD Single : A 113 THR OG1 : rot 130:sc= -3.75! USER MOD Single : A 115 LYS NZ :NH3+ 155:sc= 0.712 (180deg=0.608) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 0.470 -10.063 5.908 1.00 0.00 N ATOM 2 CA ASN A 18 -0.498 -9.950 4.835 1.00 0.00 C ATOM 3 C ASN A 18 -1.899 -9.880 5.406 1.00 0.00 C ATOM 4 O ASN A 18 -2.463 -10.887 5.817 1.00 0.00 O ATOM 5 CB ASN A 18 -0.387 -11.136 3.872 1.00 0.00 C ATOM 6 CG ASN A 18 0.966 -11.213 3.186 1.00 0.00 C ATOM 7 OD1 ASN A 18 1.182 -10.613 2.134 1.00 0.00 O ATOM 8 ND2 ASN A 18 1.883 -11.968 3.771 1.00 0.00 N ATOM 0 HA ASN A 18 -0.288 -9.035 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.564 -12.061 4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.169 -11.059 3.116 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.806 -12.067 3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.666 -12.450 4.643 1.00 0.00 H new ATOM 15 N TRP A 19 -2.415 -8.671 5.482 1.00 0.00 N ATOM 16 CA TRP A 19 -3.793 -8.428 5.901 1.00 0.00 C ATOM 17 C TRP A 19 -4.804 -9.202 5.047 1.00 0.00 C ATOM 18 O TRP A 19 -4.580 -9.453 3.863 1.00 0.00 O ATOM 19 CB TRP A 19 -4.108 -6.924 5.867 1.00 0.00 C ATOM 20 CG TRP A 19 -3.683 -6.201 4.606 1.00 0.00 C ATOM 21 CD1 TRP A 19 -3.069 -6.723 3.499 1.00 0.00 C ATOM 22 CD2 TRP A 19 -3.844 -4.801 4.341 1.00 0.00 C ATOM 23 NE1 TRP A 19 -2.838 -5.734 2.575 1.00 0.00 N ATOM 24 CE2 TRP A 19 -3.308 -4.547 3.067 1.00 0.00 C ATOM 25 CE3 TRP A 19 -4.395 -3.743 5.060 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -3.302 -3.275 2.502 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -4.391 -2.479 4.501 1.00 0.00 C ATOM 28 CH2 TRP A 19 -3.848 -2.255 3.231 1.00 0.00 C ATOM 0 H TRP A 19 -1.895 -7.823 5.256 1.00 0.00 H new ATOM 0 HA TRP A 19 -3.886 -8.791 6.924 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.182 -6.792 5.997 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.623 -6.449 6.719 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.805 -7.762 3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.389 -5.863 1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.819 -3.908 6.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.881 -3.100 1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -4.813 -1.652 5.053 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.860 -1.257 2.818 1.00 0.00 H new ATOM 39 N ASP A 20 -5.920 -9.570 5.667 1.00 0.00 N ATOM 40 CA ASP A 20 -6.965 -10.348 5.004 1.00 0.00 C ATOM 41 C ASP A 20 -7.843 -9.457 4.132 1.00 0.00 C ATOM 42 O ASP A 20 -8.012 -8.278 4.428 1.00 0.00 O ATOM 43 CB ASP A 20 -7.827 -11.058 6.055 1.00 0.00 C ATOM 44 CG ASP A 20 -9.026 -11.767 5.456 1.00 0.00 C ATOM 45 OD1 ASP A 20 -8.890 -12.936 5.053 1.00 0.00 O ATOM 46 OD2 ASP A 20 -10.113 -11.152 5.383 1.00 0.00 O ATOM 0 H ASP A 20 -6.127 -9.340 6.639 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.486 -11.088 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.214 -11.782 6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.172 -10.328 6.788 1.00 0.00 H new ATOM 51 N ASP A 21 -8.409 -10.042 3.073 1.00 0.00 N ATOM 52 CA ASP A 21 -9.290 -9.326 2.137 1.00 0.00 C ATOM 53 C ASP A 21 -10.310 -8.468 2.865 1.00 0.00 C ATOM 54 O ASP A 21 -10.441 -7.268 2.604 1.00 0.00 O ATOM 55 CB ASP A 21 -10.053 -10.325 1.263 1.00 0.00 C ATOM 56 CG ASP A 21 -11.031 -9.645 0.321 1.00 0.00 C ATOM 57 OD1 ASP A 21 -10.595 -9.122 -0.721 1.00 0.00 O ATOM 58 OD2 ASP A 21 -12.250 -9.635 0.617 1.00 0.00 O ATOM 0 H ASP A 21 -8.272 -11.025 2.837 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.652 -8.685 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.342 -10.912 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.594 -11.023 1.902 1.00 0.00 H new ATOM 63 N ALA A 22 -11.025 -9.096 3.779 1.00 0.00 N ATOM 64 CA ALA A 22 -12.095 -8.442 4.499 1.00 0.00 C ATOM 65 C ALA A 22 -11.536 -7.385 5.437 1.00 0.00 C ATOM 66 O ALA A 22 -12.094 -6.291 5.560 1.00 0.00 O ATOM 67 CB ALA A 22 -12.909 -9.473 5.257 1.00 0.00 C ATOM 0 H ALA A 22 -10.879 -10.071 4.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.751 -7.940 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.714 -8.975 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.333 -10.190 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.266 -9.996 5.965 1.00 0.00 H new ATOM 73 N ASP A 23 -10.423 -7.715 6.078 1.00 0.00 N ATOM 74 CA ASP A 23 -9.779 -6.812 7.023 1.00 0.00 C ATOM 75 C ASP A 23 -9.305 -5.537 6.328 1.00 0.00 C ATOM 76 O ASP A 23 -9.432 -4.457 6.880 1.00 0.00 O ATOM 77 CB ASP A 23 -8.601 -7.501 7.721 1.00 0.00 C ATOM 78 CG ASP A 23 -8.010 -6.661 8.842 1.00 0.00 C ATOM 79 OD1 ASP A 23 -8.638 -6.569 9.918 1.00 0.00 O ATOM 80 OD2 ASP A 23 -6.911 -6.094 8.660 1.00 0.00 O ATOM 0 H ASP A 23 -9.944 -8.608 5.960 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.519 -6.540 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.933 -8.457 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.825 -7.717 6.987 1.00 0.00 H new ATOM 85 N VAL A 24 -8.777 -5.674 5.109 1.00 0.00 N ATOM 86 CA VAL A 24 -8.266 -4.527 4.342 1.00 0.00 C ATOM 87 C VAL A 24 -9.288 -3.391 4.257 1.00 0.00 C ATOM 88 O VAL A 24 -9.001 -2.253 4.639 1.00 0.00 O ATOM 89 CB VAL A 24 -7.871 -4.932 2.900 1.00 0.00 C ATOM 90 CG1 VAL A 24 -7.368 -3.728 2.118 1.00 0.00 C ATOM 91 CG2 VAL A 24 -6.823 -6.029 2.903 1.00 0.00 C ATOM 0 H VAL A 24 -8.691 -6.569 4.628 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.385 -4.181 4.882 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.766 -5.317 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.097 -4.037 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.153 -2.973 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.494 -3.310 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.567 -6.291 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.930 -5.678 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.217 -6.907 3.414 1.00 0.00 H new ATOM 101 N LYS A 25 -10.476 -3.710 3.764 1.00 0.00 N ATOM 102 CA LYS A 25 -11.510 -2.705 3.536 1.00 0.00 C ATOM 103 C LYS A 25 -11.946 -2.080 4.861 1.00 0.00 C ATOM 104 O LYS A 25 -12.141 -0.866 4.955 1.00 0.00 O ATOM 105 CB LYS A 25 -12.703 -3.345 2.820 1.00 0.00 C ATOM 106 CG LYS A 25 -13.385 -2.447 1.795 1.00 0.00 C ATOM 107 CD LYS A 25 -14.181 -1.326 2.441 1.00 0.00 C ATOM 108 CE LYS A 25 -14.876 -0.477 1.389 1.00 0.00 C ATOM 109 NZ LYS A 25 -15.797 0.525 1.989 1.00 0.00 N ATOM 0 H LYS A 25 -10.751 -4.660 3.513 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.106 -1.913 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.365 -4.253 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.438 -3.646 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.632 -2.019 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.049 -3.049 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.921 -1.746 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.517 -0.701 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.126 0.037 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.437 -1.125 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.247 1.079 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.529 0.036 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.260 1.161 2.612 1.00 0.00 H new ATOM 123 N LYS A 26 -12.075 -2.914 5.885 1.00 0.00 N ATOM 124 CA LYS A 26 -12.452 -2.446 7.214 1.00 0.00 C ATOM 125 C LYS A 26 -11.332 -1.607 7.821 1.00 0.00 C ATOM 126 O LYS A 26 -11.584 -0.593 8.465 1.00 0.00 O ATOM 127 CB LYS A 26 -12.782 -3.625 8.130 1.00 0.00 C ATOM 128 CG LYS A 26 -13.918 -4.498 7.614 1.00 0.00 C ATOM 129 CD LYS A 26 -14.304 -5.582 8.614 1.00 0.00 C ATOM 130 CE LYS A 26 -15.345 -5.101 9.618 1.00 0.00 C ATOM 131 NZ LYS A 26 -14.880 -3.936 10.417 1.00 0.00 N ATOM 0 H LYS A 26 -11.924 -3.921 5.821 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.342 -1.825 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.890 -4.239 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -13.046 -3.245 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.787 -3.875 7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.621 -4.962 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.694 -6.446 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.414 -5.914 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.258 -4.830 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.599 -5.920 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.502 -3.809 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.906 -4.104 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.906 -3.079 9.829 1.00 0.00 H new ATOM 145 N ARG A 27 -10.101 -2.061 7.623 1.00 0.00 N ATOM 146 CA ARG A 27 -8.909 -1.367 8.101 1.00 0.00 C ATOM 147 C ARG A 27 -8.904 0.083 7.624 1.00 0.00 C ATOM 148 O ARG A 27 -8.645 1.003 8.400 1.00 0.00 O ATOM 149 CB ARG A 27 -7.657 -2.085 7.586 1.00 0.00 C ATOM 150 CG ARG A 27 -6.359 -1.603 8.205 1.00 0.00 C ATOM 151 CD ARG A 27 -6.290 -1.945 9.683 1.00 0.00 C ATOM 152 NE ARG A 27 -6.408 -3.382 9.927 1.00 0.00 N ATOM 153 CZ ARG A 27 -6.012 -3.987 11.046 1.00 0.00 C ATOM 154 NH1 ARG A 27 -5.451 -3.285 12.025 1.00 0.00 N ATOM 155 NH2 ARG A 27 -6.187 -5.290 11.189 1.00 0.00 N ATOM 0 H ARG A 27 -9.899 -2.927 7.123 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.913 -1.374 9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.761 -3.153 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.599 -1.958 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.515 -2.057 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.270 -0.524 8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.346 -1.586 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.087 -1.422 10.212 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.820 -3.958 9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.322 -2.278 11.922 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.149 -3.753 12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.625 -5.831 10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.884 -5.754 12.045 1.00 0.00 H new ATOM 169 N TRP A 28 -9.191 0.269 6.339 1.00 0.00 N ATOM 170 CA TRP A 28 -9.271 1.602 5.752 1.00 0.00 C ATOM 171 C TRP A 28 -10.394 2.405 6.400 1.00 0.00 C ATOM 172 O TRP A 28 -10.211 3.568 6.775 1.00 0.00 O ATOM 173 CB TRP A 28 -9.506 1.509 4.241 1.00 0.00 C ATOM 174 CG TRP A 28 -8.333 0.984 3.463 1.00 0.00 C ATOM 175 CD1 TRP A 28 -7.121 0.582 3.953 1.00 0.00 C ATOM 176 CD2 TRP A 28 -8.267 0.808 2.043 1.00 0.00 C ATOM 177 NE1 TRP A 28 -6.306 0.180 2.922 1.00 0.00 N ATOM 178 CE2 TRP A 28 -6.989 0.303 1.741 1.00 0.00 C ATOM 179 CE3 TRP A 28 -9.168 1.031 0.998 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -6.592 0.019 0.437 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -8.772 0.745 -0.294 1.00 0.00 C ATOM 182 CH2 TRP A 28 -7.495 0.243 -0.565 1.00 0.00 C ATOM 0 H TRP A 28 -9.373 -0.490 5.682 1.00 0.00 H new ATOM 0 HA TRP A 28 -8.324 2.110 5.932 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -10.366 0.865 4.058 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -9.763 2.499 3.864 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.845 0.581 4.997 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.348 -0.156 3.020 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -10.156 1.420 1.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.605 -0.365 0.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -9.460 0.912 -1.109 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.217 0.028 -1.586 1.00 0.00 H new ATOM 193 N ASP A 29 -11.552 1.770 6.530 1.00 0.00 N ATOM 194 CA ASP A 29 -12.723 2.390 7.147 1.00 0.00 C ATOM 195 C ASP A 29 -12.423 2.836 8.577 1.00 0.00 C ATOM 196 O ASP A 29 -12.782 3.942 8.977 1.00 0.00 O ATOM 197 CB ASP A 29 -13.901 1.411 7.134 1.00 0.00 C ATOM 198 CG ASP A 29 -15.085 1.899 7.949 1.00 0.00 C ATOM 199 OD1 ASP A 29 -15.822 2.792 7.471 1.00 0.00 O ATOM 200 OD2 ASP A 29 -15.295 1.379 9.064 1.00 0.00 O ATOM 0 H ASP A 29 -11.708 0.813 6.212 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.985 3.275 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.218 1.246 6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.571 0.448 7.523 1.00 0.00 H new ATOM 205 N ALA A 30 -11.754 1.972 9.332 1.00 0.00 N ATOM 206 CA ALA A 30 -11.415 2.251 10.724 1.00 0.00 C ATOM 207 C ALA A 30 -10.585 3.527 10.863 1.00 0.00 C ATOM 208 O ALA A 30 -10.913 4.402 11.667 1.00 0.00 O ATOM 209 CB ALA A 30 -10.671 1.070 11.332 1.00 0.00 C ATOM 0 H ALA A 30 -11.432 1.063 9.000 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.349 2.405 11.265 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.424 1.291 12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.302 0.182 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.754 0.890 10.771 1.00 0.00 H new ATOM 215 N PHE A 31 -9.523 3.641 10.071 1.00 0.00 N ATOM 216 CA PHE A 31 -8.647 4.808 10.140 1.00 0.00 C ATOM 217 C PHE A 31 -9.381 6.070 9.701 1.00 0.00 C ATOM 218 O PHE A 31 -9.077 7.169 10.161 1.00 0.00 O ATOM 219 CB PHE A 31 -7.396 4.612 9.279 1.00 0.00 C ATOM 220 CG PHE A 31 -6.466 3.549 9.787 1.00 0.00 C ATOM 221 CD1 PHE A 31 -6.037 3.560 11.105 1.00 0.00 C ATOM 222 CD2 PHE A 31 -6.014 2.548 8.945 1.00 0.00 C ATOM 223 CE1 PHE A 31 -5.179 2.584 11.574 1.00 0.00 C ATOM 224 CE2 PHE A 31 -5.155 1.571 9.408 1.00 0.00 C ATOM 225 CZ PHE A 31 -4.734 1.591 10.722 1.00 0.00 C ATOM 0 H PHE A 31 -9.249 2.945 9.378 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.341 4.923 11.180 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.702 4.358 8.264 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.855 5.557 9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.377 4.339 11.772 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.337 2.531 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.857 2.597 12.605 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.813 0.792 8.743 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.057 0.831 11.084 1.00 0.00 H new ATOM 235 N THR A 32 -10.350 5.904 8.820 1.00 0.00 N ATOM 236 CA THR A 32 -11.119 7.028 8.314 1.00 0.00 C ATOM 237 C THR A 32 -12.167 7.480 9.332 1.00 0.00 C ATOM 238 O THR A 32 -12.376 8.677 9.544 1.00 0.00 O ATOM 239 CB THR A 32 -11.809 6.657 6.986 1.00 0.00 C ATOM 240 OG1 THR A 32 -10.837 6.155 6.061 1.00 0.00 O ATOM 241 CG2 THR A 32 -12.519 7.856 6.374 1.00 0.00 C ATOM 0 H THR A 32 -10.625 4.999 8.438 1.00 0.00 H new ATOM 0 HA THR A 32 -10.427 7.852 8.139 1.00 0.00 H new ATOM 0 HB THR A 32 -12.555 5.890 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.708 5.195 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.994 7.559 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.277 8.222 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.795 8.646 6.178 1.00 0.00 H new ATOM 249 N LYS A 33 -12.814 6.512 9.965 1.00 0.00 N ATOM 250 CA LYS A 33 -13.909 6.787 10.888 1.00 0.00 C ATOM 251 C LYS A 33 -13.392 7.298 12.230 1.00 0.00 C ATOM 252 O LYS A 33 -13.931 8.252 12.792 1.00 0.00 O ATOM 253 CB LYS A 33 -14.725 5.512 11.109 1.00 0.00 C ATOM 254 CG LYS A 33 -16.125 5.760 11.651 1.00 0.00 C ATOM 255 CD LYS A 33 -16.843 4.456 11.977 1.00 0.00 C ATOM 256 CE LYS A 33 -16.693 3.426 10.863 1.00 0.00 C ATOM 257 NZ LYS A 33 -17.232 3.895 9.557 1.00 0.00 N ATOM 0 H LYS A 33 -12.598 5.521 9.856 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.536 7.562 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.802 4.974 10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.188 4.864 11.802 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.064 6.376 12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.705 6.321 10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.446 4.046 12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.901 4.657 12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.638 3.178 10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.206 2.509 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.085 3.350 9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.474 4.904 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.515 3.759 8.816 1.00 0.00 H new ATOM 271 N PHE A 34 -12.351 6.653 12.737 1.00 0.00 N ATOM 272 CA PHE A 34 -11.828 6.963 14.056 1.00 0.00 C ATOM 273 C PHE A 34 -10.762 8.056 13.994 1.00 0.00 C ATOM 274 O PHE A 34 -10.771 8.904 13.101 1.00 0.00 O ATOM 275 CB PHE A 34 -11.254 5.694 14.692 1.00 0.00 C ATOM 276 CG PHE A 34 -12.301 4.682 15.068 1.00 0.00 C ATOM 277 CD1 PHE A 34 -12.923 4.740 16.303 1.00 0.00 C ATOM 278 CD2 PHE A 34 -12.661 3.675 14.188 1.00 0.00 C ATOM 279 CE1 PHE A 34 -13.884 3.812 16.655 1.00 0.00 C ATOM 280 CE2 PHE A 34 -13.622 2.743 14.534 1.00 0.00 C ATOM 281 CZ PHE A 34 -14.235 2.813 15.768 1.00 0.00 C ATOM 0 H PHE A 34 -11.851 5.909 12.251 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.647 7.339 14.669 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.551 5.236 13.997 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.689 5.968 15.583 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.654 5.520 17.000 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.185 3.617 13.220 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.360 3.868 17.623 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.892 1.961 13.839 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.988 2.088 16.040 1.00 0.00 H new ATOM 291 N GLY A 35 -9.850 8.027 14.954 1.00 0.00 N ATOM 292 CA GLY A 35 -8.829 9.039 15.056 1.00 0.00 C ATOM 293 C GLY A 35 -7.462 8.465 14.780 1.00 0.00 C ATOM 294 O GLY A 35 -6.727 8.103 15.700 1.00 0.00 O ATOM 0 H GLY A 35 -9.803 7.306 15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.038 9.843 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.847 9.478 16.053 1.00 0.00 H new ATOM 298 N ALA A 36 -7.139 8.354 13.506 1.00 0.00 N ATOM 299 CA ALA A 36 -5.850 7.839 13.072 1.00 0.00 C ATOM 300 C ALA A 36 -4.754 8.875 13.295 1.00 0.00 C ATOM 301 O ALA A 36 -4.224 9.462 12.348 1.00 0.00 O ATOM 302 CB ALA A 36 -5.909 7.414 11.611 1.00 0.00 C ATOM 0 H ALA A 36 -7.761 8.617 12.741 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.610 6.961 13.671 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.936 7.031 11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.661 6.634 11.489 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.173 8.272 10.993 1.00 0.00 H new ATOM 308 N ALA A 37 -4.439 9.106 14.558 1.00 0.00 N ATOM 309 CA ALA A 37 -3.439 10.085 14.942 1.00 0.00 C ATOM 310 C ALA A 37 -2.038 9.620 14.568 1.00 0.00 C ATOM 311 O ALA A 37 -1.193 10.419 14.166 1.00 0.00 O ATOM 312 CB ALA A 37 -3.526 10.348 16.432 1.00 0.00 C ATOM 0 H ALA A 37 -4.869 8.620 15.345 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.638 11.009 14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.773 11.084 16.716 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.517 10.730 16.677 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.350 9.420 16.976 1.00 0.00 H new ATOM 318 N THR A 38 -1.796 8.327 14.710 1.00 0.00 N ATOM 319 CA THR A 38 -0.501 7.756 14.383 1.00 0.00 C ATOM 320 C THR A 38 -0.324 7.691 12.866 1.00 0.00 C ATOM 321 O THR A 38 0.796 7.700 12.352 1.00 0.00 O ATOM 322 CB THR A 38 -0.346 6.353 15.002 1.00 0.00 C ATOM 323 OG1 THR A 38 -0.720 6.394 16.390 1.00 0.00 O ATOM 324 CG2 THR A 38 1.088 5.865 14.882 1.00 0.00 C ATOM 0 H THR A 38 -2.481 7.652 15.050 1.00 0.00 H new ATOM 0 HA THR A 38 0.274 8.398 14.802 1.00 0.00 H new ATOM 0 HB THR A 38 -0.996 5.665 14.462 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.623 5.501 16.782 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.173 4.873 15.326 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.369 5.817 13.830 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.752 6.554 15.404 1.00 0.00 H new ATOM 332 N ALA A 39 -1.441 7.665 12.149 1.00 0.00 N ATOM 333 CA ALA A 39 -1.421 7.695 10.692 1.00 0.00 C ATOM 334 C ALA A 39 -1.352 9.134 10.198 1.00 0.00 C ATOM 335 O ALA A 39 -2.024 9.523 9.241 1.00 0.00 O ATOM 336 CB ALA A 39 -2.641 6.983 10.124 1.00 0.00 C ATOM 0 H ALA A 39 -2.376 7.623 12.555 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.533 7.168 10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.608 7.016 9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.643 5.945 10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.547 7.478 10.474 1.00 0.00 H new ATOM 342 N THR A 40 -0.516 9.910 10.866 1.00 0.00 N ATOM 343 CA THR A 40 -0.289 11.295 10.517 1.00 0.00 C ATOM 344 C THR A 40 0.630 11.373 9.299 1.00 0.00 C ATOM 345 O THR A 40 0.574 12.318 8.512 1.00 0.00 O ATOM 346 CB THR A 40 0.328 12.034 11.727 1.00 0.00 C ATOM 347 OG1 THR A 40 0.312 13.454 11.525 1.00 0.00 O ATOM 348 CG2 THR A 40 1.757 11.567 11.997 1.00 0.00 C ATOM 0 H THR A 40 0.026 9.592 11.670 1.00 0.00 H new ATOM 0 HA THR A 40 -1.234 11.775 10.263 1.00 0.00 H new ATOM 0 HB THR A 40 -0.284 11.794 12.596 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.706 13.900 12.304 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.160 12.107 12.854 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.756 10.498 12.209 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.375 11.763 11.121 1.00 0.00 H new ATOM 356 N GLU A 41 1.451 10.339 9.150 1.00 0.00 N ATOM 357 CA GLU A 41 2.353 10.196 8.021 1.00 0.00 C ATOM 358 C GLU A 41 2.982 8.811 8.085 1.00 0.00 C ATOM 359 O GLU A 41 3.173 8.272 9.176 1.00 0.00 O ATOM 360 CB GLU A 41 3.445 11.273 8.040 1.00 0.00 C ATOM 361 CG GLU A 41 4.416 11.156 9.208 1.00 0.00 C ATOM 362 CD GLU A 41 5.607 12.077 9.065 1.00 0.00 C ATOM 363 OE1 GLU A 41 6.444 11.832 8.168 1.00 0.00 O ATOM 364 OE2 GLU A 41 5.723 13.041 9.849 1.00 0.00 O ATOM 0 H GLU A 41 1.507 9.571 9.818 1.00 0.00 H new ATOM 0 HA GLU A 41 1.792 10.317 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.007 11.221 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.972 12.254 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.892 11.386 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.764 10.126 9.285 1.00 0.00 H new ATOM 371 N MET A 42 3.294 8.223 6.944 1.00 0.00 N ATOM 372 CA MET A 42 3.853 6.877 6.939 1.00 0.00 C ATOM 373 C MET A 42 5.350 6.899 6.651 1.00 0.00 C ATOM 374 O MET A 42 5.814 7.631 5.778 1.00 0.00 O ATOM 375 CB MET A 42 3.126 5.997 5.920 1.00 0.00 C ATOM 376 CG MET A 42 3.650 4.571 5.872 1.00 0.00 C ATOM 377 SD MET A 42 3.642 3.771 7.486 1.00 0.00 S ATOM 378 CE MET A 42 4.306 2.160 7.067 1.00 0.00 C ATOM 0 H MET A 42 3.174 8.644 6.023 1.00 0.00 H new ATOM 0 HA MET A 42 3.709 6.453 7.933 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.063 5.978 6.160 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.221 6.445 4.931 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.042 3.988 5.180 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.666 4.575 5.478 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.741 1.703 7.956 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.506 1.524 6.687 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.075 2.271 6.303 1.00 0.00 H new ATOM 388 N THR A 43 6.107 6.104 7.395 1.00 0.00 N ATOM 389 CA THR A 43 7.544 6.010 7.194 1.00 0.00 C ATOM 390 C THR A 43 7.857 5.297 5.883 1.00 0.00 C ATOM 391 O THR A 43 7.420 4.168 5.664 1.00 0.00 O ATOM 392 CB THR A 43 8.223 5.277 8.361 1.00 0.00 C ATOM 393 OG1 THR A 43 7.385 4.206 8.822 1.00 0.00 O ATOM 394 CG2 THR A 43 8.516 6.234 9.508 1.00 0.00 C ATOM 0 H THR A 43 5.747 5.514 8.145 1.00 0.00 H new ATOM 0 HA THR A 43 7.938 7.026 7.150 1.00 0.00 H new ATOM 0 HB THR A 43 9.168 4.869 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.159 4.350 9.765 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.997 5.691 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.178 7.027 9.160 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.583 6.671 9.865 1.00 0.00 H new ATOM 402 N GLY A 44 8.612 5.973 5.024 1.00 0.00 N ATOM 403 CA GLY A 44 8.889 5.463 3.692 1.00 0.00 C ATOM 404 C GLY A 44 9.489 4.071 3.688 1.00 0.00 C ATOM 405 O GLY A 44 8.915 3.154 3.116 1.00 0.00 O ATOM 0 H GLY A 44 9.042 6.875 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.963 5.452 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.572 6.145 3.185 1.00 0.00 H new ATOM 409 N LYS A 45 10.618 3.907 4.366 1.00 0.00 N ATOM 410 CA LYS A 45 11.375 2.656 4.309 1.00 0.00 C ATOM 411 C LYS A 45 10.544 1.485 4.842 1.00 0.00 C ATOM 412 O LYS A 45 10.576 0.381 4.294 1.00 0.00 O ATOM 413 CB LYS A 45 12.680 2.811 5.101 1.00 0.00 C ATOM 414 CG LYS A 45 13.713 1.712 4.858 1.00 0.00 C ATOM 415 CD LYS A 45 13.444 0.462 5.687 1.00 0.00 C ATOM 416 CE LYS A 45 13.420 0.772 7.176 1.00 0.00 C ATOM 417 NZ LYS A 45 14.675 1.425 7.630 1.00 0.00 N ATOM 0 H LYS A 45 11.032 4.623 4.963 1.00 0.00 H new ATOM 0 HA LYS A 45 11.616 2.436 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.128 3.773 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.442 2.837 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.716 1.448 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.706 2.093 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.490 0.026 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.212 -0.283 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.573 1.422 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.269 -0.151 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.681 1.480 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.492 0.868 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.731 2.384 7.232 1.00 0.00 H new ATOM 431 N ASN A 46 9.794 1.733 5.908 1.00 0.00 N ATOM 432 CA ASN A 46 8.943 0.704 6.490 1.00 0.00 C ATOM 433 C ASN A 46 7.801 0.371 5.541 1.00 0.00 C ATOM 434 O ASN A 46 7.364 -0.777 5.452 1.00 0.00 O ATOM 435 CB ASN A 46 8.390 1.159 7.843 1.00 0.00 C ATOM 436 CG ASN A 46 9.472 1.332 8.892 1.00 0.00 C ATOM 437 OD1 ASN A 46 10.481 0.625 8.892 1.00 0.00 O ATOM 438 ND2 ASN A 46 9.273 2.291 9.780 1.00 0.00 N ATOM 0 H ASN A 46 9.758 2.634 6.385 1.00 0.00 H new ATOM 0 HA ASN A 46 9.545 -0.191 6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.860 2.103 7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.661 0.430 8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.970 2.470 10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.422 2.852 9.742 1.00 0.00 H new ATOM 445 N PHE A 47 7.344 1.383 4.815 1.00 0.00 N ATOM 446 CA PHE A 47 6.272 1.217 3.846 1.00 0.00 C ATOM 447 C PHE A 47 6.784 0.444 2.632 1.00 0.00 C ATOM 448 O PHE A 47 6.064 -0.371 2.060 1.00 0.00 O ATOM 449 CB PHE A 47 5.731 2.589 3.433 1.00 0.00 C ATOM 450 CG PHE A 47 4.366 2.554 2.813 1.00 0.00 C ATOM 451 CD1 PHE A 47 3.274 2.099 3.535 1.00 0.00 C ATOM 452 CD2 PHE A 47 4.170 2.989 1.515 1.00 0.00 C ATOM 453 CE1 PHE A 47 2.013 2.080 2.974 1.00 0.00 C ATOM 454 CE2 PHE A 47 2.911 2.974 0.951 1.00 0.00 C ATOM 455 CZ PHE A 47 1.831 2.519 1.679 1.00 0.00 C ATOM 0 H PHE A 47 7.704 2.335 4.881 1.00 0.00 H new ATOM 0 HA PHE A 47 5.459 0.647 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.702 3.234 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.426 3.043 2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.411 1.755 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.011 3.344 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.171 1.722 3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.771 3.319 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.846 2.507 1.236 1.00 0.00 H new ATOM 465 N ASP A 48 8.039 0.700 2.259 1.00 0.00 N ATOM 466 CA ASP A 48 8.712 -0.055 1.200 1.00 0.00 C ATOM 467 C ASP A 48 8.688 -1.543 1.508 1.00 0.00 C ATOM 468 O ASP A 48 8.440 -2.369 0.634 1.00 0.00 O ATOM 469 CB ASP A 48 10.171 0.395 1.046 1.00 0.00 C ATOM 470 CG ASP A 48 10.340 1.625 0.178 1.00 0.00 C ATOM 471 OD1 ASP A 48 10.275 2.754 0.712 1.00 0.00 O ATOM 472 OD2 ASP A 48 10.567 1.468 -1.043 1.00 0.00 O ATOM 0 H ASP A 48 8.614 1.431 2.678 1.00 0.00 H new ATOM 0 HA ASP A 48 8.177 0.137 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.586 0.598 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.751 -0.423 0.619 1.00 0.00 H new ATOM 477 N LYS A 49 8.916 -1.876 2.769 1.00 0.00 N ATOM 478 CA LYS A 49 8.985 -3.265 3.188 1.00 0.00 C ATOM 479 C LYS A 49 7.587 -3.847 3.253 1.00 0.00 C ATOM 480 O LYS A 49 7.345 -4.954 2.781 1.00 0.00 O ATOM 481 CB LYS A 49 9.677 -3.407 4.545 1.00 0.00 C ATOM 482 CG LYS A 49 9.928 -4.857 4.932 1.00 0.00 C ATOM 483 CD LYS A 49 10.491 -4.986 6.339 1.00 0.00 C ATOM 484 CE LYS A 49 10.760 -6.442 6.684 1.00 0.00 C ATOM 485 NZ LYS A 49 9.534 -7.278 6.574 1.00 0.00 N ATOM 0 H LYS A 49 9.057 -1.201 3.521 1.00 0.00 H new ATOM 0 HA LYS A 49 9.577 -3.813 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.627 -2.873 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.064 -2.932 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.995 -5.417 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.622 -5.306 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.414 -4.412 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.789 -4.562 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.528 -6.836 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.153 -6.507 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.696 -8.195 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.740 -6.792 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.308 -7.432 5.571 1.00 0.00 H new ATOM 499 N TRP A 50 6.678 -3.085 3.848 1.00 0.00 N ATOM 500 CA TRP A 50 5.269 -3.455 3.901 1.00 0.00 C ATOM 501 C TRP A 50 4.732 -3.708 2.493 1.00 0.00 C ATOM 502 O TRP A 50 3.973 -4.650 2.265 1.00 0.00 O ATOM 503 CB TRP A 50 4.474 -2.343 4.607 1.00 0.00 C ATOM 504 CG TRP A 50 2.993 -2.389 4.375 1.00 0.00 C ATOM 505 CD1 TRP A 50 2.248 -1.451 3.727 1.00 0.00 C ATOM 506 CD2 TRP A 50 2.078 -3.412 4.787 1.00 0.00 C ATOM 507 NE1 TRP A 50 0.928 -1.825 3.705 1.00 0.00 N ATOM 508 CE2 TRP A 50 0.797 -3.024 4.350 1.00 0.00 C ATOM 509 CE3 TRP A 50 2.213 -4.620 5.479 1.00 0.00 C ATOM 510 CZ2 TRP A 50 -0.333 -3.797 4.584 1.00 0.00 C ATOM 511 CZ3 TRP A 50 1.087 -5.385 5.709 1.00 0.00 C ATOM 512 CH2 TRP A 50 -0.171 -4.971 5.261 1.00 0.00 C ATOM 0 H TRP A 50 6.894 -2.199 4.305 1.00 0.00 H new ATOM 0 HA TRP A 50 5.157 -4.378 4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.662 -2.405 5.679 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.851 -1.377 4.272 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.640 -0.543 3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.168 -1.295 3.277 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.181 -4.949 5.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.307 -3.480 4.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.179 -6.319 6.244 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.032 -5.593 5.455 1.00 0.00 H new ATOM 523 N LEU A 51 5.170 -2.894 1.543 1.00 0.00 N ATOM 524 CA LEU A 51 4.717 -3.026 0.162 1.00 0.00 C ATOM 525 C LEU A 51 5.389 -4.211 -0.520 1.00 0.00 C ATOM 526 O LEU A 51 4.774 -4.907 -1.334 1.00 0.00 O ATOM 527 CB LEU A 51 4.999 -1.738 -0.618 1.00 0.00 C ATOM 528 CG LEU A 51 3.801 -0.805 -0.810 1.00 0.00 C ATOM 529 CD1 LEU A 51 2.797 -1.428 -1.758 1.00 0.00 C ATOM 530 CD2 LEU A 51 3.144 -0.492 0.522 1.00 0.00 C ATOM 0 H LEU A 51 5.836 -2.137 1.700 1.00 0.00 H new ATOM 0 HA LEU A 51 3.641 -3.202 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.786 -1.188 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.388 -2.007 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 51 4.160 0.129 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.950 -0.754 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.270 -1.604 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.448 -2.375 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.295 0.173 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.799 -1.417 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.866 -0.006 1.179 1.00 0.00 H new ATOM 542 N LYS A 52 6.647 -4.434 -0.181 1.00 0.00 N ATOM 543 CA LYS A 52 7.425 -5.517 -0.761 1.00 0.00 C ATOM 544 C LYS A 52 6.964 -6.872 -0.225 1.00 0.00 C ATOM 545 O LYS A 52 6.848 -7.838 -0.982 1.00 0.00 O ATOM 546 CB LYS A 52 8.905 -5.313 -0.447 1.00 0.00 C ATOM 547 CG LYS A 52 9.818 -6.338 -1.093 1.00 0.00 C ATOM 548 CD LYS A 52 11.212 -6.287 -0.493 1.00 0.00 C ATOM 549 CE LYS A 52 11.187 -6.645 0.985 1.00 0.00 C ATOM 550 NZ LYS A 52 12.550 -6.683 1.571 1.00 0.00 N ATOM 0 H LYS A 52 7.157 -3.873 0.501 1.00 0.00 H new ATOM 0 HA LYS A 52 7.275 -5.508 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.202 -4.317 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.045 -5.346 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.399 -7.336 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.874 -6.154 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.866 -6.977 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.630 -5.288 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.581 -5.917 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.709 -7.616 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.488 -6.931 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.122 -7.396 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.997 -5.749 1.471 1.00 0.00 H new ATOM 564 N ASP A 53 6.706 -6.931 1.079 1.00 0.00 N ATOM 565 CA ASP A 53 6.288 -8.172 1.729 1.00 0.00 C ATOM 566 C ASP A 53 4.922 -8.594 1.204 1.00 0.00 C ATOM 567 O ASP A 53 4.706 -9.756 0.857 1.00 0.00 O ATOM 568 CB ASP A 53 6.232 -7.983 3.250 1.00 0.00 C ATOM 569 CG ASP A 53 6.328 -9.290 4.016 1.00 0.00 C ATOM 570 OD1 ASP A 53 5.320 -10.021 4.105 1.00 0.00 O ATOM 571 OD2 ASP A 53 7.419 -9.580 4.559 1.00 0.00 O ATOM 0 H ASP A 53 6.779 -6.132 1.709 1.00 0.00 H new ATOM 0 HA ASP A 53 7.015 -8.952 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.046 -7.327 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.301 -7.482 3.514 1.00 0.00 H new ATOM 576 N ALA A 54 4.010 -7.625 1.121 1.00 0.00 N ATOM 577 CA ALA A 54 2.689 -7.853 0.545 1.00 0.00 C ATOM 578 C ALA A 54 2.805 -8.330 -0.900 1.00 0.00 C ATOM 579 O ALA A 54 1.940 -9.046 -1.404 1.00 0.00 O ATOM 580 CB ALA A 54 1.854 -6.584 0.619 1.00 0.00 C ATOM 0 H ALA A 54 4.165 -6.671 1.448 1.00 0.00 H new ATOM 0 HA ALA A 54 2.192 -8.632 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.871 -6.769 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.740 -6.283 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.351 -5.788 0.064 1.00 0.00 H new ATOM 586 N GLY A 55 3.874 -7.909 -1.566 1.00 0.00 N ATOM 587 CA GLY A 55 4.130 -8.346 -2.923 1.00 0.00 C ATOM 588 C GLY A 55 3.624 -7.359 -3.950 1.00 0.00 C ATOM 589 O GLY A 55 3.460 -7.696 -5.122 1.00 0.00 O ATOM 0 H GLY A 55 4.571 -7.269 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.202 -8.491 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.654 -9.313 -3.087 1.00 0.00 H new ATOM 593 N VAL A 56 3.371 -6.135 -3.511 1.00 0.00 N ATOM 594 CA VAL A 56 2.871 -5.099 -4.404 1.00 0.00 C ATOM 595 C VAL A 56 4.024 -4.263 -4.948 1.00 0.00 C ATOM 596 O VAL A 56 4.015 -3.847 -6.107 1.00 0.00 O ATOM 597 CB VAL A 56 1.856 -4.178 -3.693 1.00 0.00 C ATOM 598 CG1 VAL A 56 1.190 -3.241 -4.686 1.00 0.00 C ATOM 599 CG2 VAL A 56 0.816 -5.002 -2.952 1.00 0.00 C ATOM 0 H VAL A 56 3.503 -5.835 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 56 2.362 -5.598 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 56 2.396 -3.572 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.479 -2.602 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.948 -2.623 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.665 -3.825 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.109 -4.336 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.282 -5.636 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.310 -5.626 -2.207 1.00 0.00 H new ATOM 609 N LEU A 57 5.027 -4.034 -4.108 1.00 0.00 N ATOM 610 CA LEU A 57 6.193 -3.267 -4.516 1.00 0.00 C ATOM 611 C LEU A 57 7.213 -4.186 -5.172 1.00 0.00 C ATOM 612 O LEU A 57 7.981 -4.874 -4.495 1.00 0.00 O ATOM 613 CB LEU A 57 6.821 -2.550 -3.321 1.00 0.00 C ATOM 614 CG LEU A 57 7.849 -1.477 -3.676 1.00 0.00 C ATOM 615 CD1 LEU A 57 7.180 -0.317 -4.397 1.00 0.00 C ATOM 616 CD2 LEU A 57 8.561 -0.990 -2.426 1.00 0.00 C ATOM 0 H LEU A 57 5.054 -4.368 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 57 5.875 -2.512 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.026 -2.090 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.299 -3.292 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 57 8.590 -1.915 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.927 0.438 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.714 -0.678 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.419 0.122 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.290 -0.226 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.833 -0.568 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.072 -1.826 -1.949 1.00 0.00 H new ATOM 628 N ASP A 58 7.181 -4.213 -6.493 1.00 0.00 N ATOM 629 CA ASP A 58 8.072 -5.057 -7.275 1.00 0.00 C ATOM 630 C ASP A 58 9.465 -4.436 -7.379 1.00 0.00 C ATOM 631 O ASP A 58 10.465 -5.066 -7.025 1.00 0.00 O ATOM 632 CB ASP A 58 7.471 -5.280 -8.664 1.00 0.00 C ATOM 633 CG ASP A 58 8.394 -6.046 -9.582 1.00 0.00 C ATOM 634 OD1 ASP A 58 8.407 -7.291 -9.513 1.00 0.00 O ATOM 635 OD2 ASP A 58 9.108 -5.399 -10.370 1.00 0.00 O ATOM 0 H ASP A 58 6.539 -3.653 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 58 8.179 -6.019 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.531 -5.822 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.237 -4.315 -9.113 1.00 0.00 H new ATOM 640 N ASN A 59 9.512 -3.198 -7.881 1.00 0.00 N ATOM 641 CA ASN A 59 10.755 -2.417 -7.977 1.00 0.00 C ATOM 642 C ASN A 59 11.781 -3.032 -8.928 1.00 0.00 C ATOM 643 O ASN A 59 12.925 -2.578 -8.994 1.00 0.00 O ATOM 644 CB ASN A 59 11.378 -2.193 -6.595 1.00 0.00 C ATOM 645 CG ASN A 59 10.942 -0.876 -5.982 1.00 0.00 C ATOM 646 OD1 ASN A 59 9.848 -0.383 -6.254 1.00 0.00 O ATOM 647 ND2 ASN A 59 11.795 -0.295 -5.150 1.00 0.00 N ATOM 0 H ASN A 59 8.690 -2.707 -8.233 1.00 0.00 H new ATOM 0 HA ASN A 59 10.470 -1.453 -8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.096 -3.012 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.465 -2.211 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.553 0.593 -4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.693 -0.736 -4.950 1.00 0.00 H new ATOM 654 N LYS A 60 11.381 -4.048 -9.672 1.00 0.00 N ATOM 655 CA LYS A 60 12.241 -4.623 -10.693 1.00 0.00 C ATOM 656 C LYS A 60 11.773 -4.144 -12.059 1.00 0.00 C ATOM 657 O LYS A 60 12.563 -3.666 -12.875 1.00 0.00 O ATOM 658 CB LYS A 60 12.218 -6.151 -10.614 1.00 0.00 C ATOM 659 CG LYS A 60 12.599 -6.685 -9.240 1.00 0.00 C ATOM 660 CD LYS A 60 12.544 -8.206 -9.188 1.00 0.00 C ATOM 661 CE LYS A 60 12.871 -8.732 -7.796 1.00 0.00 C ATOM 662 NZ LYS A 60 11.880 -8.276 -6.785 1.00 0.00 N ATOM 0 H LYS A 60 10.467 -4.492 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 60 13.269 -4.299 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.220 -6.507 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.903 -6.557 -11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.604 -6.349 -8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.925 -6.271 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.550 -8.545 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.248 -8.621 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.895 -9.822 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.867 -8.397 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.991 -8.833 -5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.037 -7.270 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.918 -8.406 -7.159 1.00 0.00 H new ATOM 676 N ALA A 61 10.475 -4.267 -12.292 1.00 0.00 N ATOM 677 CA ALA A 61 9.844 -3.704 -13.476 1.00 0.00 C ATOM 678 C ALA A 61 9.302 -2.315 -13.156 1.00 0.00 C ATOM 679 O ALA A 61 8.905 -1.558 -14.041 1.00 0.00 O ATOM 680 CB ALA A 61 8.727 -4.610 -13.967 1.00 0.00 C ATOM 0 H ALA A 61 9.833 -4.757 -11.670 1.00 0.00 H new ATOM 0 HA ALA A 61 10.587 -3.622 -14.269 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.267 -4.173 -14.853 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.136 -5.589 -14.216 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.976 -4.719 -13.184 1.00 0.00 H new ATOM 686 N ILE A 62 9.286 -2.002 -11.865 1.00 0.00 N ATOM 687 CA ILE A 62 8.854 -0.698 -11.379 1.00 0.00 C ATOM 688 C ILE A 62 10.074 0.120 -10.985 1.00 0.00 C ATOM 689 O ILE A 62 10.851 -0.298 -10.132 1.00 0.00 O ATOM 690 CB ILE A 62 7.919 -0.833 -10.153 1.00 0.00 C ATOM 691 CG1 ILE A 62 6.706 -1.698 -10.503 1.00 0.00 C ATOM 692 CG2 ILE A 62 7.477 0.541 -9.661 1.00 0.00 C ATOM 693 CD1 ILE A 62 5.775 -1.942 -9.335 1.00 0.00 C ATOM 0 H ILE A 62 9.572 -2.645 -11.127 1.00 0.00 H new ATOM 0 HA ILE A 62 8.303 -0.203 -12.179 1.00 0.00 H new ATOM 0 HB ILE A 62 8.470 -1.320 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.148 -1.217 -11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.054 -2.658 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.820 0.425 -8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.352 1.124 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.942 1.058 -10.458 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.939 -2.562 -9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.317 -2.451 -8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.397 -0.989 -8.965 1.00 0.00 H new ATOM 705 N THR A 63 10.257 1.273 -11.605 1.00 0.00 N ATOM 706 CA THR A 63 11.436 2.075 -11.339 1.00 0.00 C ATOM 707 C THR A 63 11.099 3.412 -10.700 1.00 0.00 C ATOM 708 O THR A 63 9.929 3.716 -10.443 1.00 0.00 O ATOM 709 CB THR A 63 12.254 2.304 -12.620 1.00 0.00 C ATOM 710 OG1 THR A 63 11.395 2.667 -13.710 1.00 0.00 O ATOM 711 CG2 THR A 63 13.030 1.052 -12.962 1.00 0.00 C ATOM 0 H THR A 63 9.612 1.670 -12.288 1.00 0.00 H new ATOM 0 HA THR A 63 12.035 1.507 -10.627 1.00 0.00 H new ATOM 0 HB THR A 63 12.953 3.123 -12.447 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.494 2.848 -13.370 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.608 1.219 -13.871 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.705 0.807 -12.142 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.337 0.226 -13.120 1.00 0.00 H new ATOM 719 N GLY A 64 12.148 4.196 -10.455 1.00 0.00 N ATOM 720 CA GLY A 64 12.030 5.463 -9.758 1.00 0.00 C ATOM 721 C GLY A 64 10.971 6.389 -10.325 1.00 0.00 C ATOM 722 O GLY A 64 10.386 7.175 -9.587 1.00 0.00 O ATOM 0 H GLY A 64 13.101 3.965 -10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.803 5.268 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.994 5.971 -9.786 1.00 0.00 H new ATOM 726 N THR A 65 10.709 6.300 -11.624 1.00 0.00 N ATOM 727 CA THR A 65 9.729 7.180 -12.246 1.00 0.00 C ATOM 728 C THR A 65 8.302 6.825 -11.813 1.00 0.00 C ATOM 729 O THR A 65 7.468 7.713 -11.663 1.00 0.00 O ATOM 730 CB THR A 65 9.840 7.188 -13.791 1.00 0.00 C ATOM 731 OG1 THR A 65 8.835 8.047 -14.357 1.00 0.00 O ATOM 732 CG2 THR A 65 9.699 5.788 -14.371 1.00 0.00 C ATOM 0 H THR A 65 11.155 5.637 -12.259 1.00 0.00 H new ATOM 0 HA THR A 65 9.955 8.187 -11.897 1.00 0.00 H new ATOM 0 HB THR A 65 10.831 7.564 -14.047 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.916 8.045 -15.334 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.782 5.834 -15.457 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.487 5.148 -13.973 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.727 5.378 -14.099 1.00 0.00 H new ATOM 740 N MET A 66 8.023 5.544 -11.591 1.00 0.00 N ATOM 741 CA MET A 66 6.694 5.133 -11.147 1.00 0.00 C ATOM 742 C MET A 66 6.508 5.476 -9.678 1.00 0.00 C ATOM 743 O MET A 66 5.595 6.213 -9.307 1.00 0.00 O ATOM 744 CB MET A 66 6.463 3.628 -11.338 1.00 0.00 C ATOM 745 CG MET A 66 6.520 3.152 -12.781 1.00 0.00 C ATOM 746 SD MET A 66 8.207 2.939 -13.381 1.00 0.00 S ATOM 747 CE MET A 66 7.906 2.354 -15.047 1.00 0.00 C ATOM 0 H MET A 66 8.689 4.781 -11.709 1.00 0.00 H new ATOM 0 HA MET A 66 5.970 5.671 -11.758 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.211 3.084 -10.761 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.489 3.369 -10.923 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.986 2.206 -12.868 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.001 3.870 -13.416 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.858 2.177 -15.548 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.337 1.425 -15.009 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.340 3.104 -15.599 1.00 0.00 H new ATOM 757 N THR A 67 7.403 4.947 -8.854 1.00 0.00 N ATOM 758 CA THR A 67 7.339 5.141 -7.412 1.00 0.00 C ATOM 759 C THR A 67 7.506 6.620 -7.037 1.00 0.00 C ATOM 760 O THR A 67 6.835 7.114 -6.128 1.00 0.00 O ATOM 761 CB THR A 67 8.388 4.255 -6.684 1.00 0.00 C ATOM 762 OG1 THR A 67 8.591 4.707 -5.339 1.00 0.00 O ATOM 763 CG2 THR A 67 9.720 4.223 -7.428 1.00 0.00 C ATOM 0 H THR A 67 8.189 4.375 -9.164 1.00 0.00 H new ATOM 0 HA THR A 67 6.349 4.830 -7.080 1.00 0.00 H new ATOM 0 HB THR A 67 7.990 3.241 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.254 4.135 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.425 3.593 -6.885 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.568 3.819 -8.429 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.120 5.234 -7.502 1.00 0.00 H new ATOM 771 N GLY A 68 8.370 7.321 -7.762 1.00 0.00 N ATOM 772 CA GLY A 68 8.612 8.729 -7.494 1.00 0.00 C ATOM 773 C GLY A 68 7.388 9.592 -7.731 1.00 0.00 C ATOM 774 O GLY A 68 7.052 10.435 -6.897 1.00 0.00 O ATOM 0 H GLY A 68 8.912 6.937 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.939 8.846 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.426 9.080 -8.128 1.00 0.00 H new ATOM 778 N ILE A 69 6.721 9.388 -8.864 1.00 0.00 N ATOM 779 CA ILE A 69 5.507 10.135 -9.177 1.00 0.00 C ATOM 780 C ILE A 69 4.419 9.841 -8.149 1.00 0.00 C ATOM 781 O ILE A 69 3.750 10.755 -7.660 1.00 0.00 O ATOM 782 CB ILE A 69 4.985 9.819 -10.599 1.00 0.00 C ATOM 783 CG1 ILE A 69 5.945 10.385 -11.650 1.00 0.00 C ATOM 784 CG2 ILE A 69 3.580 10.380 -10.803 1.00 0.00 C ATOM 785 CD1 ILE A 69 5.560 10.046 -13.075 1.00 0.00 C ATOM 0 H ILE A 69 6.999 8.715 -9.578 1.00 0.00 H new ATOM 0 HA ILE A 69 5.762 11.194 -9.141 1.00 0.00 H new ATOM 0 HB ILE A 69 4.935 8.736 -10.713 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.988 11.469 -11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.948 10.006 -11.454 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.237 10.144 -11.810 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.901 9.935 -10.075 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.597 11.462 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.286 10.481 -13.761 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.545 8.963 -13.200 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.571 10.449 -13.290 1.00 0.00 H new ATOM 797 N ALA A 70 4.269 8.562 -7.811 1.00 0.00 N ATOM 798 CA ALA A 70 3.302 8.140 -6.806 1.00 0.00 C ATOM 799 C ALA A 70 3.566 8.852 -5.486 1.00 0.00 C ATOM 800 O ALA A 70 2.667 9.458 -4.906 1.00 0.00 O ATOM 801 CB ALA A 70 3.355 6.630 -6.620 1.00 0.00 C ATOM 0 H ALA A 70 4.808 7.799 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 70 2.303 8.409 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.627 6.330 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.122 6.139 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.354 6.338 -6.296 1.00 0.00 H new ATOM 807 N PHE A 71 4.818 8.806 -5.039 1.00 0.00 N ATOM 808 CA PHE A 71 5.219 9.437 -3.789 1.00 0.00 C ATOM 809 C PHE A 71 4.933 10.940 -3.816 1.00 0.00 C ATOM 810 O PHE A 71 4.424 11.498 -2.843 1.00 0.00 O ATOM 811 CB PHE A 71 6.705 9.185 -3.517 1.00 0.00 C ATOM 812 CG PHE A 71 7.165 9.695 -2.181 1.00 0.00 C ATOM 813 CD1 PHE A 71 6.862 8.999 -1.020 1.00 0.00 C ATOM 814 CD2 PHE A 71 7.896 10.867 -2.083 1.00 0.00 C ATOM 815 CE1 PHE A 71 7.283 9.462 0.212 1.00 0.00 C ATOM 816 CE2 PHE A 71 8.319 11.335 -0.854 1.00 0.00 C ATOM 817 CZ PHE A 71 8.011 10.632 0.296 1.00 0.00 C ATOM 0 H PHE A 71 5.577 8.333 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 71 4.633 8.994 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.900 8.114 -3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.295 9.660 -4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.290 8.085 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.138 11.422 -2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.043 8.909 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.890 12.250 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.339 10.997 1.258 1.00 0.00 H new ATOM 827 N SER A 72 5.257 11.582 -4.933 1.00 0.00 N ATOM 828 CA SER A 72 5.060 13.020 -5.084 1.00 0.00 C ATOM 829 C SER A 72 3.588 13.405 -4.909 1.00 0.00 C ATOM 830 O SER A 72 3.274 14.497 -4.433 1.00 0.00 O ATOM 831 CB SER A 72 5.565 13.464 -6.456 1.00 0.00 C ATOM 832 OG SER A 72 6.919 13.086 -6.646 1.00 0.00 O ATOM 0 H SER A 72 5.660 11.126 -5.752 1.00 0.00 H new ATOM 0 HA SER A 72 5.628 13.528 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.947 13.020 -7.236 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.469 14.546 -6.550 1.00 0.00 H new ATOM 0 HG SER A 72 6.958 12.163 -6.973 1.00 0.00 H new ATOM 838 N LYS A 73 2.692 12.497 -5.281 1.00 0.00 N ATOM 839 CA LYS A 73 1.258 12.739 -5.170 1.00 0.00 C ATOM 840 C LYS A 73 0.743 12.443 -3.763 1.00 0.00 C ATOM 841 O LYS A 73 -0.105 13.170 -3.239 1.00 0.00 O ATOM 842 CB LYS A 73 0.494 11.890 -6.192 1.00 0.00 C ATOM 843 CG LYS A 73 0.116 12.628 -7.468 1.00 0.00 C ATOM 844 CD LYS A 73 1.332 13.100 -8.254 1.00 0.00 C ATOM 845 CE LYS A 73 0.907 13.830 -9.516 1.00 0.00 C ATOM 846 NZ LYS A 73 2.063 14.286 -10.329 1.00 0.00 N ATOM 0 H LYS A 73 2.935 11.583 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 73 1.087 13.796 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.103 11.025 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.414 11.511 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.487 11.973 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.505 13.488 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.938 13.760 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.956 12.245 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.281 13.172 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.296 14.691 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.718 14.778 -11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.648 14.936 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.634 13.464 -10.613 1.00 0.00 H new ATOM 860 N VAL A 74 1.254 11.380 -3.152 1.00 0.00 N ATOM 861 CA VAL A 74 0.791 10.953 -1.838 1.00 0.00 C ATOM 862 C VAL A 74 1.282 11.883 -0.734 1.00 0.00 C ATOM 863 O VAL A 74 0.653 11.989 0.313 1.00 0.00 O ATOM 864 CB VAL A 74 1.227 9.502 -1.540 1.00 0.00 C ATOM 865 CG1 VAL A 74 0.788 8.587 -2.664 1.00 0.00 C ATOM 866 CG2 VAL A 74 2.729 9.396 -1.314 1.00 0.00 C ATOM 0 H VAL A 74 1.991 10.797 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.298 10.996 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 74 0.741 9.190 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.100 7.566 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.297 8.622 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.245 8.913 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.994 8.359 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.256 9.734 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.014 10.019 -0.466 1.00 0.00 H new ATOM 876 N THR A 75 2.386 12.576 -0.972 1.00 0.00 N ATOM 877 CA THR A 75 2.946 13.450 0.045 1.00 0.00 C ATOM 878 C THR A 75 3.247 14.848 -0.488 1.00 0.00 C ATOM 879 O THR A 75 2.420 15.754 -0.391 1.00 0.00 O ATOM 880 CB THR A 75 4.225 12.844 0.655 1.00 0.00 C ATOM 881 OG1 THR A 75 5.128 12.442 -0.387 1.00 0.00 O ATOM 882 CG2 THR A 75 3.891 11.651 1.532 1.00 0.00 C ATOM 0 H THR A 75 2.905 12.551 -1.849 1.00 0.00 H new ATOM 0 HA THR A 75 2.185 13.543 0.820 1.00 0.00 H new ATOM 0 HB THR A 75 4.702 13.606 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.624 12.009 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.809 11.240 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.232 11.967 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.392 10.888 0.934 1.00 0.00 H new ATOM 890 N GLY A 76 4.430 15.010 -1.060 1.00 0.00 N ATOM 891 CA GLY A 76 4.877 16.315 -1.491 1.00 0.00 C ATOM 892 C GLY A 76 5.902 16.885 -0.529 1.00 0.00 C ATOM 893 O GLY A 76 7.074 16.500 -0.576 1.00 0.00 O ATOM 0 H GLY A 76 5.092 14.254 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.310 16.244 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.024 16.990 -1.561 1.00 0.00 H new ATOM 897 N PRO A 77 5.490 17.802 0.359 1.00 0.00 N ATOM 898 CA PRO A 77 6.363 18.365 1.387 1.00 0.00 C ATOM 899 C PRO A 77 6.497 17.435 2.593 1.00 0.00 C ATOM 900 O PRO A 77 5.941 16.337 2.602 1.00 0.00 O ATOM 901 CB PRO A 77 5.651 19.667 1.797 1.00 0.00 C ATOM 902 CG PRO A 77 4.432 19.771 0.933 1.00 0.00 C ATOM 903 CD PRO A 77 4.150 18.386 0.430 1.00 0.00 C ATOM 0 HA PRO A 77 7.378 18.519 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.379 19.645 2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.303 20.528 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.586 20.158 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.601 20.458 0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.500 17.832 1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.660 18.399 -0.543 1.00 0.00 H new ATOM 911 N LYS A 78 7.215 17.886 3.619 1.00 0.00 N ATOM 912 CA LYS A 78 7.391 17.096 4.838 1.00 0.00 C ATOM 913 C LYS A 78 6.070 16.989 5.593 1.00 0.00 C ATOM 914 O LYS A 78 5.880 16.086 6.408 1.00 0.00 O ATOM 915 CB LYS A 78 8.465 17.721 5.735 1.00 0.00 C ATOM 916 CG LYS A 78 8.807 16.910 6.985 1.00 0.00 C ATOM 917 CD LYS A 78 9.462 15.574 6.647 1.00 0.00 C ATOM 918 CE LYS A 78 8.473 14.417 6.683 1.00 0.00 C ATOM 919 NZ LYS A 78 8.038 14.093 8.071 1.00 0.00 N ATOM 0 H LYS A 78 7.684 18.792 3.632 1.00 0.00 H new ATOM 0 HA LYS A 78 7.717 16.095 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.373 17.859 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.131 18.712 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.477 17.490 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.898 16.732 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.912 15.633 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.270 15.380 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.601 14.668 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.930 13.536 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.686 13.115 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.844 14.193 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.280 14.744 8.358 1.00 0.00 H new ATOM 933 N LYS A 79 5.163 17.927 5.320 1.00 0.00 N ATOM 934 CA LYS A 79 3.810 17.861 5.860 1.00 0.00 C ATOM 935 C LYS A 79 3.155 16.541 5.459 1.00 0.00 C ATOM 936 O LYS A 79 2.410 15.947 6.241 1.00 0.00 O ATOM 937 CB LYS A 79 2.963 19.031 5.351 1.00 0.00 C ATOM 938 CG LYS A 79 1.517 18.969 5.818 1.00 0.00 C ATOM 939 CD LYS A 79 0.657 20.015 5.133 1.00 0.00 C ATOM 940 CE LYS A 79 -0.814 19.836 5.475 1.00 0.00 C ATOM 941 NZ LYS A 79 -1.326 18.502 5.054 1.00 0.00 N ATOM 0 H LYS A 79 5.342 18.739 4.729 1.00 0.00 H new ATOM 0 HA LYS A 79 3.871 17.923 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.408 19.967 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.986 19.042 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.112 17.977 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.477 19.116 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.983 21.010 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.792 19.948 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.954 19.955 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.397 20.618 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.363 18.534 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.926 18.253 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.047 17.786 5.755 1.00 0.00 H new ATOM 955 N LYS A 80 3.456 16.097 4.231 1.00 0.00 N ATOM 956 CA LYS A 80 2.944 14.834 3.706 1.00 0.00 C ATOM 957 C LYS A 80 1.421 14.818 3.740 1.00 0.00 C ATOM 958 O LYS A 80 0.791 15.875 3.638 1.00 0.00 O ATOM 959 CB LYS A 80 3.556 13.678 4.494 1.00 0.00 C ATOM 960 CG LYS A 80 5.057 13.566 4.269 1.00 0.00 C ATOM 961 CD LYS A 80 5.718 12.603 5.233 1.00 0.00 C ATOM 962 CE LYS A 80 5.219 11.186 5.045 1.00 0.00 C ATOM 963 NZ LYS A 80 5.894 10.250 5.974 1.00 0.00 N ATOM 0 H LYS A 80 4.058 16.603 3.581 1.00 0.00 H new ATOM 0 HA LYS A 80 3.233 14.721 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.358 13.819 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.075 12.745 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.244 13.237 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.512 14.551 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.798 12.630 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.524 12.924 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.142 11.152 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.394 10.870 4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.368 9.354 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.863 10.071 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.925 10.668 6.926 1.00 0.00 H new ATOM 977 N ALA A 81 0.815 13.650 3.851 1.00 0.00 N ATOM 978 CA ALA A 81 -0.632 13.591 3.859 1.00 0.00 C ATOM 979 C ALA A 81 -1.176 13.037 5.172 1.00 0.00 C ATOM 980 O ALA A 81 -1.335 13.780 6.140 1.00 0.00 O ATOM 981 CB ALA A 81 -1.155 12.801 2.669 1.00 0.00 C ATOM 0 H ALA A 81 1.289 12.751 3.935 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.995 14.615 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.244 12.773 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.831 13.279 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.765 11.784 2.708 1.00 0.00 H new ATOM 987 N THR A 82 -1.437 11.731 5.190 1.00 0.00 N ATOM 988 CA THR A 82 -2.088 11.052 6.310 1.00 0.00 C ATOM 989 C THR A 82 -2.578 9.679 5.823 1.00 0.00 C ATOM 990 O THR A 82 -1.872 9.009 5.073 1.00 0.00 O ATOM 991 CB THR A 82 -3.267 11.893 6.890 1.00 0.00 C ATOM 992 OG1 THR A 82 -3.852 11.232 8.020 1.00 0.00 O ATOM 993 CG2 THR A 82 -4.340 12.170 5.837 1.00 0.00 C ATOM 0 H THR A 82 -1.200 11.107 4.419 1.00 0.00 H new ATOM 0 HA THR A 82 -1.370 10.927 7.121 1.00 0.00 H new ATOM 0 HB THR A 82 -2.853 12.850 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.185 10.649 8.439 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.143 12.758 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.901 12.724 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.742 11.226 5.470 1.00 0.00 H new ATOM 1001 N PHE A 83 -3.767 9.255 6.241 1.00 0.00 N ATOM 1002 CA PHE A 83 -4.372 8.033 5.717 1.00 0.00 C ATOM 1003 C PHE A 83 -4.515 8.114 4.193 1.00 0.00 C ATOM 1004 O PHE A 83 -4.378 7.108 3.492 1.00 0.00 O ATOM 1005 CB PHE A 83 -5.741 7.792 6.361 1.00 0.00 C ATOM 1006 CG PHE A 83 -6.492 6.646 5.745 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -6.128 5.338 6.016 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -7.547 6.881 4.881 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -6.807 4.285 5.439 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -8.228 5.833 4.298 1.00 0.00 C ATOM 1011 CZ PHE A 83 -7.858 4.534 4.578 1.00 0.00 C ATOM 0 H PHE A 83 -4.331 9.738 6.940 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.718 7.197 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.606 7.599 7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.340 8.698 6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.304 5.140 6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -7.840 7.897 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.518 3.268 5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -9.049 6.029 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 83 -8.390 3.711 4.124 1.00 0.00 H new ATOM 1021 N ASP A 84 -4.789 9.322 3.693 1.00 0.00 N ATOM 1022 CA ASP A 84 -4.868 9.568 2.252 1.00 0.00 C ATOM 1023 C ASP A 84 -3.584 9.107 1.575 1.00 0.00 C ATOM 1024 O ASP A 84 -3.617 8.361 0.605 1.00 0.00 O ATOM 1025 CB ASP A 84 -5.095 11.060 1.980 1.00 0.00 C ATOM 1026 CG ASP A 84 -5.140 11.389 0.499 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -6.238 11.356 -0.089 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -4.080 11.703 -0.081 1.00 0.00 O ATOM 0 H ASP A 84 -4.960 10.147 4.268 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.708 9.005 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.031 11.371 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.298 11.636 2.451 1.00 0.00 H new ATOM 1033 N GLU A 85 -2.467 9.548 2.136 1.00 0.00 N ATOM 1034 CA GLU A 85 -1.127 9.161 1.695 1.00 0.00 C ATOM 1035 C GLU A 85 -1.046 7.657 1.441 1.00 0.00 C ATOM 1036 O GLU A 85 -0.687 7.219 0.350 1.00 0.00 O ATOM 1037 CB GLU A 85 -0.146 9.575 2.793 1.00 0.00 C ATOM 1038 CG GLU A 85 1.315 9.265 2.539 1.00 0.00 C ATOM 1039 CD GLU A 85 2.181 9.741 3.692 1.00 0.00 C ATOM 1040 OE1 GLU A 85 2.110 10.944 4.026 1.00 0.00 O ATOM 1041 OE2 GLU A 85 2.911 8.919 4.282 1.00 0.00 O ATOM 0 H GLU A 85 -2.462 10.196 2.924 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.883 9.656 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.245 10.649 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.444 9.085 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.444 8.191 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.637 9.745 1.615 1.00 0.00 H new ATOM 1048 N THR A 86 -1.434 6.879 2.444 1.00 0.00 N ATOM 1049 CA THR A 86 -1.368 5.426 2.375 1.00 0.00 C ATOM 1050 C THR A 86 -2.237 4.865 1.245 1.00 0.00 C ATOM 1051 O THR A 86 -1.760 4.093 0.405 1.00 0.00 O ATOM 1052 CB THR A 86 -1.811 4.812 3.713 1.00 0.00 C ATOM 1053 OG1 THR A 86 -1.107 5.449 4.785 1.00 0.00 O ATOM 1054 CG2 THR A 86 -1.545 3.316 3.747 1.00 0.00 C ATOM 0 H THR A 86 -1.802 7.237 3.325 1.00 0.00 H new ATOM 0 HA THR A 86 -0.332 5.159 2.168 1.00 0.00 H new ATOM 0 HB THR A 86 -2.884 4.969 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.390 5.060 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.869 2.911 4.706 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.097 2.830 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.478 3.133 3.617 1.00 0.00 H new ATOM 1062 N LYS A 87 -3.509 5.262 1.215 1.00 0.00 N ATOM 1063 CA LYS A 87 -4.445 4.723 0.232 1.00 0.00 C ATOM 1064 C LYS A 87 -4.089 5.186 -1.179 1.00 0.00 C ATOM 1065 O LYS A 87 -4.346 4.478 -2.156 1.00 0.00 O ATOM 1066 CB LYS A 87 -5.896 5.103 0.575 1.00 0.00 C ATOM 1067 CG LYS A 87 -6.172 6.600 0.574 1.00 0.00 C ATOM 1068 CD LYS A 87 -7.603 6.931 0.991 1.00 0.00 C ATOM 1069 CE LYS A 87 -8.616 6.705 -0.130 1.00 0.00 C ATOM 1070 NZ LYS A 87 -8.818 5.265 -0.457 1.00 0.00 N ATOM 0 H LYS A 87 -3.911 5.948 1.854 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.363 3.637 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.563 4.623 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.141 4.702 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.476 7.095 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.986 7.000 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.877 6.319 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.651 7.971 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.572 7.143 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.282 7.231 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.819 5.098 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.228 5.009 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.548 4.682 0.361 1.00 0.00 H new ATOM 1084 N LYS A 88 -3.490 6.365 -1.281 1.00 0.00 N ATOM 1085 CA LYS A 88 -3.050 6.883 -2.564 1.00 0.00 C ATOM 1086 C LYS A 88 -1.942 6.010 -3.146 1.00 0.00 C ATOM 1087 O LYS A 88 -1.986 5.652 -4.322 1.00 0.00 O ATOM 1088 CB LYS A 88 -2.549 8.319 -2.417 1.00 0.00 C ATOM 1089 CG LYS A 88 -3.643 9.353 -2.203 1.00 0.00 C ATOM 1090 CD LYS A 88 -4.407 9.651 -3.482 1.00 0.00 C ATOM 1091 CE LYS A 88 -5.419 10.769 -3.276 1.00 0.00 C ATOM 1092 NZ LYS A 88 -4.791 11.994 -2.710 1.00 0.00 N ATOM 0 H LYS A 88 -3.299 6.979 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.902 6.871 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.856 8.364 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.985 8.586 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.336 8.994 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.201 10.274 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.707 9.932 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.921 8.751 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.891 11.011 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.208 10.425 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.509 12.741 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.392 11.779 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.032 12.319 -3.343 1.00 0.00 H new ATOM 1106 N VAL A 89 -0.958 5.662 -2.315 1.00 0.00 N ATOM 1107 CA VAL A 89 0.177 4.859 -2.772 1.00 0.00 C ATOM 1108 C VAL A 89 -0.297 3.534 -3.349 1.00 0.00 C ATOM 1109 O VAL A 89 0.083 3.166 -4.461 1.00 0.00 O ATOM 1110 CB VAL A 89 1.199 4.560 -1.653 1.00 0.00 C ATOM 1111 CG1 VAL A 89 2.416 3.859 -2.234 1.00 0.00 C ATOM 1112 CG2 VAL A 89 1.620 5.824 -0.928 1.00 0.00 C ATOM 0 H VAL A 89 -0.924 5.921 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 89 0.672 5.459 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 89 0.717 3.906 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.131 3.652 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.109 2.922 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.882 4.500 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.339 5.574 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.078 6.514 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.745 6.294 -0.478 1.00 0.00 H new ATOM 1122 N LEU A 90 -1.136 2.827 -2.590 1.00 0.00 N ATOM 1123 CA LEU A 90 -1.649 1.530 -3.026 1.00 0.00 C ATOM 1124 C LEU A 90 -2.385 1.649 -4.357 1.00 0.00 C ATOM 1125 O LEU A 90 -2.302 0.757 -5.201 1.00 0.00 O ATOM 1126 CB LEU A 90 -2.581 0.918 -1.977 1.00 0.00 C ATOM 1127 CG LEU A 90 -1.930 0.544 -0.643 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -2.868 -0.326 0.172 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -0.620 -0.188 -0.869 1.00 0.00 C ATOM 0 H LEU A 90 -1.472 3.130 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.789 0.873 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.388 1.623 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.036 0.023 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.725 1.464 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.394 -0.585 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.792 0.218 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.093 -1.237 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.175 -0.444 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.806 -1.100 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.064 0.453 -1.426 1.00 0.00 H new ATOM 1141 N ALA A 91 -3.091 2.756 -4.542 1.00 0.00 N ATOM 1142 CA ALA A 91 -3.834 2.985 -5.770 1.00 0.00 C ATOM 1143 C ALA A 91 -2.895 3.230 -6.949 1.00 0.00 C ATOM 1144 O ALA A 91 -3.129 2.731 -8.045 1.00 0.00 O ATOM 1145 CB ALA A 91 -4.790 4.154 -5.602 1.00 0.00 C ATOM 0 H ALA A 91 -3.164 3.508 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.412 2.086 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.338 4.312 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.493 3.936 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.225 5.053 -5.357 1.00 0.00 H new ATOM 1151 N PHE A 92 -1.823 3.981 -6.713 1.00 0.00 N ATOM 1152 CA PHE A 92 -0.898 4.350 -7.785 1.00 0.00 C ATOM 1153 C PHE A 92 0.000 3.185 -8.200 1.00 0.00 C ATOM 1154 O PHE A 92 0.256 2.991 -9.389 1.00 0.00 O ATOM 1155 CB PHE A 92 -0.041 5.553 -7.378 1.00 0.00 C ATOM 1156 CG PHE A 92 -0.810 6.840 -7.282 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -1.666 7.230 -8.301 1.00 0.00 C ATOM 1158 CD2 PHE A 92 -0.684 7.653 -6.171 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -2.376 8.413 -8.212 1.00 0.00 C ATOM 1160 CE2 PHE A 92 -1.391 8.835 -6.075 1.00 0.00 C ATOM 1161 CZ PHE A 92 -2.239 9.216 -7.097 1.00 0.00 C ATOM 0 H PHE A 92 -1.572 4.346 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.508 4.622 -8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.425 5.346 -6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.765 5.675 -8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.779 6.603 -9.173 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.024 7.360 -5.368 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.037 8.709 -9.013 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.281 9.461 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.794 10.140 -7.024 1.00 0.00 H new ATOM 1171 N VAL A 93 0.482 2.411 -7.231 1.00 0.00 N ATOM 1172 CA VAL A 93 1.327 1.266 -7.533 1.00 0.00 C ATOM 1173 C VAL A 93 0.552 0.217 -8.327 1.00 0.00 C ATOM 1174 O VAL A 93 1.055 -0.333 -9.310 1.00 0.00 O ATOM 1175 CB VAL A 93 1.935 0.636 -6.259 1.00 0.00 C ATOM 1176 CG1 VAL A 93 2.926 1.588 -5.613 1.00 0.00 C ATOM 1177 CG2 VAL A 93 0.861 0.234 -5.256 1.00 0.00 C ATOM 0 H VAL A 93 0.302 2.557 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 93 2.154 1.632 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 93 2.459 -0.270 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.343 1.127 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.730 1.809 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.418 2.513 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.331 -0.204 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.290 1.115 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.192 -0.496 -5.712 1.00 0.00 H new ATOM 1187 N ALA A 94 -0.675 -0.056 -7.893 1.00 0.00 N ATOM 1188 CA ALA A 94 -1.554 -0.973 -8.600 1.00 0.00 C ATOM 1189 C ALA A 94 -1.930 -0.412 -9.970 1.00 0.00 C ATOM 1190 O ALA A 94 -1.991 -1.153 -10.952 1.00 0.00 O ATOM 1191 CB ALA A 94 -2.799 -1.257 -7.775 1.00 0.00 C ATOM 0 H ALA A 94 -1.082 0.349 -7.050 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.021 -1.912 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.446 -1.945 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.511 -1.705 -6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.333 -0.325 -7.590 1.00 0.00 H new ATOM 1197 N GLU A 95 -2.191 0.899 -10.012 1.00 0.00 N ATOM 1198 CA GLU A 95 -2.486 1.605 -11.260 1.00 0.00 C ATOM 1199 C GLU A 95 -1.438 1.278 -12.316 1.00 0.00 C ATOM 1200 O GLU A 95 -1.757 0.695 -13.345 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.527 3.121 -11.010 1.00 0.00 C ATOM 1202 CG GLU A 95 -3.500 3.894 -11.899 1.00 0.00 C ATOM 1203 CD GLU A 95 -3.024 4.085 -13.329 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -2.179 4.974 -13.569 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -3.524 3.382 -14.226 1.00 0.00 O ATOM 0 H GLU A 95 -2.203 1.497 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.460 1.278 -11.624 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.793 3.295 -9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.525 3.526 -11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.455 3.370 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.680 4.873 -11.455 1.00 0.00 H new ATOM 1212 N ASP A 96 -0.184 1.617 -12.028 1.00 0.00 N ATOM 1213 CA ASP A 96 0.910 1.413 -12.979 1.00 0.00 C ATOM 1214 C ASP A 96 1.038 -0.054 -13.386 1.00 0.00 C ATOM 1215 O ASP A 96 1.255 -0.367 -14.561 1.00 0.00 O ATOM 1216 CB ASP A 96 2.239 1.890 -12.385 1.00 0.00 C ATOM 1217 CG ASP A 96 3.401 1.691 -13.343 1.00 0.00 C ATOM 1218 OD1 ASP A 96 3.652 2.594 -14.171 1.00 0.00 O ATOM 1219 OD2 ASP A 96 4.069 0.633 -13.274 1.00 0.00 O ATOM 0 H ASP A 96 0.102 2.035 -11.143 1.00 0.00 H new ATOM 0 HA ASP A 96 0.675 2.000 -13.867 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.161 2.946 -12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.436 1.349 -11.460 1.00 0.00 H new ATOM 1224 N ARG A 97 0.896 -0.948 -12.415 1.00 0.00 N ATOM 1225 CA ARG A 97 1.083 -2.371 -12.663 1.00 0.00 C ATOM 1226 C ARG A 97 0.003 -2.904 -13.597 1.00 0.00 C ATOM 1227 O ARG A 97 0.302 -3.544 -14.607 1.00 0.00 O ATOM 1228 CB ARG A 97 1.082 -3.152 -11.345 1.00 0.00 C ATOM 1229 CG ARG A 97 1.740 -4.524 -11.433 1.00 0.00 C ATOM 1230 CD ARG A 97 3.239 -4.425 -11.706 1.00 0.00 C ATOM 1231 NE ARG A 97 3.542 -4.152 -13.115 1.00 0.00 N ATOM 1232 CZ ARG A 97 4.012 -2.992 -13.578 1.00 0.00 C ATOM 1233 NH1 ARG A 97 4.210 -1.968 -12.752 1.00 0.00 N ATOM 1234 NH2 ARG A 97 4.270 -2.864 -14.875 1.00 0.00 N ATOM 0 H ARG A 97 0.653 -0.714 -11.453 1.00 0.00 H new ATOM 0 HA ARG A 97 2.051 -2.507 -13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.596 -2.563 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.052 -3.276 -11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.577 -5.065 -10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.265 -5.103 -12.225 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.665 -3.635 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.720 -5.357 -11.409 1.00 0.00 H new ATOM 0 HE ARG A 97 3.382 -4.901 -13.788 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.002 -2.067 -11.758 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.569 -1.084 -13.112 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.109 -3.648 -15.507 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.629 -1.981 -15.239 1.00 0.00 H new ATOM 1248 N ALA A 98 -1.246 -2.611 -13.270 1.00 0.00 N ATOM 1249 CA ALA A 98 -2.375 -3.059 -14.070 1.00 0.00 C ATOM 1250 C ALA A 98 -2.416 -2.332 -15.405 1.00 0.00 C ATOM 1251 O ALA A 98 -2.787 -2.912 -16.424 1.00 0.00 O ATOM 1252 CB ALA A 98 -3.674 -2.842 -13.319 1.00 0.00 C ATOM 0 H ALA A 98 -1.504 -2.061 -12.451 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.252 -4.125 -14.262 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.509 -3.182 -13.931 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.654 -3.406 -12.387 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.794 -1.781 -13.099 1.00 0.00 H new ATOM 1258 N ARG A 99 -2.029 -1.064 -15.386 1.00 0.00 N ATOM 1259 CA ARG A 99 -2.038 -0.220 -16.576 1.00 0.00 C ATOM 1260 C ARG A 99 -1.138 -0.796 -17.660 1.00 0.00 C ATOM 1261 O ARG A 99 -1.466 -0.748 -18.844 1.00 0.00 O ATOM 1262 CB ARG A 99 -1.569 1.189 -16.208 1.00 0.00 C ATOM 1263 CG ARG A 99 -1.957 2.256 -17.211 1.00 0.00 C ATOM 1264 CD ARG A 99 -1.539 3.636 -16.729 1.00 0.00 C ATOM 1265 NE ARG A 99 -0.108 3.889 -16.912 1.00 0.00 N ATOM 1266 CZ ARG A 99 0.639 4.602 -16.066 1.00 0.00 C ATOM 1267 NH1 ARG A 99 0.127 5.031 -14.916 1.00 0.00 N ATOM 1268 NH2 ARG A 99 1.909 4.863 -16.356 1.00 0.00 N ATOM 0 H ARG A 99 -1.699 -0.590 -14.545 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.056 -0.180 -16.963 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -1.982 1.454 -15.235 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.484 1.183 -16.103 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.487 2.045 -18.172 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.035 2.234 -17.372 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.109 4.393 -17.268 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.790 3.739 -15.673 1.00 0.00 H new ATOM 0 HE ARG A 99 0.346 3.496 -17.737 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.841 4.816 -14.677 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.702 5.575 -14.273 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.315 4.518 -17.226 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.478 5.408 -15.709 1.00 0.00 H new ATOM 1282 N GLN A 100 0.000 -1.339 -17.251 1.00 0.00 N ATOM 1283 CA GLN A 100 0.933 -1.944 -18.190 1.00 0.00 C ATOM 1284 C GLN A 100 0.576 -3.406 -18.452 1.00 0.00 C ATOM 1285 O GLN A 100 0.970 -3.974 -19.472 1.00 0.00 O ATOM 1286 CB GLN A 100 2.368 -1.831 -17.669 1.00 0.00 C ATOM 1287 CG GLN A 100 2.896 -0.406 -17.655 1.00 0.00 C ATOM 1288 CD GLN A 100 4.345 -0.324 -17.214 1.00 0.00 C ATOM 1289 OE1 GLN A 100 4.570 -0.114 -15.926 1.00 0.00 O flip ATOM 1290 NE2 GLN A 100 5.262 -0.425 -18.027 1.00 0.00 N flip ATOM 0 H GLN A 100 0.299 -1.373 -16.276 1.00 0.00 H new ATOM 0 HA GLN A 100 0.860 -1.402 -19.133 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.412 -2.237 -16.658 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.021 -2.446 -18.288 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.799 0.023 -18.652 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.282 0.198 -16.987 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.054 -0.587 -19.012 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.230 -0.347 -17.716 1.00 0.00 H new ATOM 1299 N SER A 101 -0.180 -4.003 -17.540 1.00 0.00 N ATOM 1300 CA SER A 101 -0.574 -5.398 -17.670 1.00 0.00 C ATOM 1301 C SER A 101 -1.770 -5.530 -18.620 1.00 0.00 C ATOM 1302 O SER A 101 -1.610 -5.919 -19.778 1.00 0.00 O ATOM 1303 CB SER A 101 -0.905 -5.971 -16.287 1.00 0.00 C ATOM 1304 OG SER A 101 -1.190 -7.358 -16.340 1.00 0.00 O ATOM 0 H SER A 101 -0.533 -3.542 -16.701 1.00 0.00 H new ATOM 0 HA SER A 101 0.253 -5.967 -18.094 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.066 -5.799 -15.613 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.762 -5.441 -15.871 1.00 0.00 H new ATOM 0 HG SER A 101 -1.394 -7.685 -15.439 1.00 0.00 H new ATOM 1310 N LYS A 102 -2.961 -5.180 -18.139 1.00 0.00 N ATOM 1311 CA LYS A 102 -4.160 -5.197 -18.973 1.00 0.00 C ATOM 1312 C LYS A 102 -4.485 -3.782 -19.425 1.00 0.00 C ATOM 1313 O LYS A 102 -4.226 -3.405 -20.567 1.00 0.00 O ATOM 1314 CB LYS A 102 -5.375 -5.768 -18.219 1.00 0.00 C ATOM 1315 CG LYS A 102 -5.377 -7.280 -18.035 1.00 0.00 C ATOM 1316 CD LYS A 102 -4.315 -7.741 -17.055 1.00 0.00 C ATOM 1317 CE LYS A 102 -4.468 -9.214 -16.715 1.00 0.00 C ATOM 1318 NZ LYS A 102 -5.745 -9.493 -16.005 1.00 0.00 N ATOM 0 H LYS A 102 -3.121 -4.881 -17.177 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.956 -5.839 -19.830 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.425 -5.299 -17.236 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.281 -5.483 -18.754 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.357 -7.600 -17.682 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.213 -7.762 -18.999 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.327 -7.566 -17.480 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.379 -7.148 -16.143 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.426 -9.804 -17.631 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.631 -9.531 -16.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.865 -10.520 -15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.725 -9.046 -15.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.539 -9.108 -16.555 1.00 0.00 H new ATOM 1332 N LYS A 103 -5.037 -3.019 -18.485 1.00 0.00 N ATOM 1333 CA LYS A 103 -5.422 -1.617 -18.658 1.00 0.00 C ATOM 1334 C LYS A 103 -6.177 -1.144 -17.411 1.00 0.00 C ATOM 1335 O LYS A 103 -5.798 -0.144 -16.805 1.00 0.00 O ATOM 1336 CB LYS A 103 -6.277 -1.369 -19.916 1.00 0.00 C ATOM 1337 CG LYS A 103 -5.495 -0.782 -21.083 1.00 0.00 C ATOM 1338 CD LYS A 103 -6.407 -0.373 -22.227 1.00 0.00 C ATOM 1339 CE LYS A 103 -7.320 0.771 -21.825 1.00 0.00 C ATOM 1340 NZ LYS A 103 -8.217 1.184 -22.932 1.00 0.00 N ATOM 0 H LYS A 103 -5.236 -3.370 -17.548 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.504 -1.046 -18.793 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.728 -2.311 -20.229 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.094 -0.694 -19.662 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.930 0.085 -20.742 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.771 -1.514 -21.440 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.805 -0.076 -23.086 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.008 -1.227 -22.539 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.920 0.471 -20.966 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.717 1.623 -21.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.823 1.967 -22.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.646 1.495 -23.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.812 0.379 -23.215 1.00 0.00 H new ATOM 1354 N PRO A 104 -7.257 -1.853 -16.996 1.00 0.00 N ATOM 1355 CA PRO A 104 -7.988 -1.512 -15.772 1.00 0.00 C ATOM 1356 C PRO A 104 -7.201 -1.860 -14.511 1.00 0.00 C ATOM 1357 O PRO A 104 -6.660 -2.959 -14.390 1.00 0.00 O ATOM 1358 CB PRO A 104 -9.255 -2.363 -15.853 1.00 0.00 C ATOM 1359 CG PRO A 104 -8.881 -3.524 -16.701 1.00 0.00 C ATOM 1360 CD PRO A 104 -7.868 -3.013 -17.687 1.00 0.00 C ATOM 0 HA PRO A 104 -8.183 -0.442 -15.707 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.579 -2.685 -14.863 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.080 -1.802 -16.292 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.464 -4.330 -16.096 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.754 -3.929 -17.214 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.124 -3.773 -17.927 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.337 -2.718 -18.626 1.00 0.00 H new ATOM 1368 N ILE A 105 -7.155 -0.925 -13.574 1.00 0.00 N ATOM 1369 CA ILE A 105 -6.405 -1.104 -12.349 1.00 0.00 C ATOM 1370 C ILE A 105 -7.130 -2.052 -11.395 1.00 0.00 C ATOM 1371 O ILE A 105 -6.499 -2.863 -10.718 1.00 0.00 O ATOM 1372 CB ILE A 105 -6.101 0.246 -11.661 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -7.353 0.860 -11.024 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -5.509 1.211 -12.677 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -7.074 2.118 -10.227 1.00 0.00 C ATOM 0 H ILE A 105 -7.635 -0.028 -13.644 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.450 -1.556 -12.617 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.385 0.061 -10.861 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.074 1.090 -11.808 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.817 0.121 -10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.294 2.163 -12.192 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -4.587 0.793 -13.081 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.221 1.369 -13.487 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -8.006 2.496 -9.806 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.377 1.891 -9.420 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.638 2.874 -10.881 1.00 0.00 H new ATOM 1387 N GLN A 106 -8.459 -1.940 -11.352 1.00 0.00 N ATOM 1388 CA GLN A 106 -9.297 -2.771 -10.484 1.00 0.00 C ATOM 1389 C GLN A 106 -8.991 -4.260 -10.675 1.00 0.00 C ATOM 1390 O GLN A 106 -9.160 -5.061 -9.752 1.00 0.00 O ATOM 1391 CB GLN A 106 -10.776 -2.490 -10.777 1.00 0.00 C ATOM 1392 CG GLN A 106 -11.751 -3.247 -9.885 1.00 0.00 C ATOM 1393 CD GLN A 106 -11.564 -2.944 -8.410 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -12.159 -2.010 -7.870 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -10.742 -3.740 -7.747 1.00 0.00 N ATOM 0 H GLN A 106 -8.984 -1.272 -11.916 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.077 -2.518 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.958 -1.421 -10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.982 -2.744 -11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.771 -2.995 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.628 -4.318 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.269 -4.502 -8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.581 -3.592 -6.751 1.00 0.00 H new ATOM 1404 N ASP A 107 -8.532 -4.612 -11.874 1.00 0.00 N ATOM 1405 CA ASP A 107 -8.132 -5.982 -12.189 1.00 0.00 C ATOM 1406 C ASP A 107 -7.007 -6.443 -11.265 1.00 0.00 C ATOM 1407 O ASP A 107 -7.138 -7.444 -10.554 1.00 0.00 O ATOM 1408 CB ASP A 107 -7.677 -6.065 -13.651 1.00 0.00 C ATOM 1409 CG ASP A 107 -7.165 -7.439 -14.036 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -7.988 -8.306 -14.389 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -5.933 -7.650 -14.013 1.00 0.00 O ATOM 0 H ASP A 107 -8.427 -3.960 -12.651 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.989 -6.638 -12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.511 -5.799 -14.301 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.891 -5.329 -13.823 1.00 0.00 H new ATOM 1416 N GLU A 108 -5.918 -5.682 -11.253 1.00 0.00 N ATOM 1417 CA GLU A 108 -4.748 -6.030 -10.458 1.00 0.00 C ATOM 1418 C GLU A 108 -5.072 -5.949 -8.969 1.00 0.00 C ATOM 1419 O GLU A 108 -4.527 -6.704 -8.166 1.00 0.00 O ATOM 1420 CB GLU A 108 -3.580 -5.102 -10.791 1.00 0.00 C ATOM 1421 CG GLU A 108 -2.227 -5.637 -10.351 1.00 0.00 C ATOM 1422 CD GLU A 108 -1.837 -6.896 -11.101 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -1.331 -6.782 -12.237 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -2.038 -8.006 -10.568 1.00 0.00 O ATOM 0 H GLU A 108 -5.822 -4.818 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.462 -7.054 -10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.560 -4.930 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.750 -4.135 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.467 -4.872 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.251 -5.846 -9.282 1.00 0.00 H new ATOM 1431 N LEU A 109 -5.969 -5.029 -8.609 1.00 0.00 N ATOM 1432 CA LEU A 109 -6.422 -4.901 -7.227 1.00 0.00 C ATOM 1433 C LEU A 109 -6.941 -6.234 -6.709 1.00 0.00 C ATOM 1434 O LEU A 109 -6.512 -6.705 -5.665 1.00 0.00 O ATOM 1435 CB LEU A 109 -7.529 -3.846 -7.097 1.00 0.00 C ATOM 1436 CG LEU A 109 -7.078 -2.435 -6.706 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -6.361 -2.451 -5.366 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -6.191 -1.832 -7.775 1.00 0.00 C ATOM 0 H LEU A 109 -6.394 -4.364 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.564 -4.586 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.057 -3.785 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.248 -4.194 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.968 -1.813 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.049 -1.439 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -7.034 -2.830 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.484 -3.095 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.885 -0.831 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.307 -2.456 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.741 -1.775 -8.714 1.00 0.00 H new ATOM 1450 N ASP A 110 -7.840 -6.845 -7.473 1.00 0.00 N ATOM 1451 CA ASP A 110 -8.480 -8.098 -7.071 1.00 0.00 C ATOM 1452 C ASP A 110 -7.482 -9.254 -7.080 1.00 0.00 C ATOM 1453 O ASP A 110 -7.641 -10.229 -6.343 1.00 0.00 O ATOM 1454 CB ASP A 110 -9.663 -8.400 -8.000 1.00 0.00 C ATOM 1455 CG ASP A 110 -10.406 -9.669 -7.625 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -11.219 -9.629 -6.678 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -10.204 -10.706 -8.290 1.00 0.00 O ATOM 0 H ASP A 110 -8.145 -6.492 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.848 -7.986 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.357 -7.560 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -9.300 -8.488 -9.024 1.00 0.00 H new ATOM 1462 N ALA A 111 -6.452 -9.144 -7.908 1.00 0.00 N ATOM 1463 CA ALA A 111 -5.380 -10.126 -7.906 1.00 0.00 C ATOM 1464 C ALA A 111 -4.564 -10.009 -6.622 1.00 0.00 C ATOM 1465 O ALA A 111 -4.238 -11.013 -5.981 1.00 0.00 O ATOM 1466 CB ALA A 111 -4.493 -9.940 -9.126 1.00 0.00 C ATOM 0 H ALA A 111 -6.337 -8.390 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.815 -11.125 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.694 -10.682 -9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.088 -10.065 -10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.059 -8.940 -9.112 1.00 0.00 H new ATOM 1472 N ILE A 112 -4.252 -8.775 -6.248 1.00 0.00 N ATOM 1473 CA ILE A 112 -3.534 -8.497 -5.011 1.00 0.00 C ATOM 1474 C ILE A 112 -4.376 -8.898 -3.802 1.00 0.00 C ATOM 1475 O ILE A 112 -3.905 -9.620 -2.918 1.00 0.00 O ATOM 1476 CB ILE A 112 -3.168 -6.997 -4.908 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -2.187 -6.618 -6.019 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -2.586 -6.665 -3.537 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -1.895 -5.134 -6.096 1.00 0.00 C ATOM 0 H ILE A 112 -4.488 -7.943 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.615 -9.084 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 112 -4.080 -6.412 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.251 -7.155 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.590 -6.950 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.338 -5.604 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.319 -6.898 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.685 -7.255 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.192 -4.943 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.821 -4.590 -6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.461 -4.799 -5.154 1.00 0.00 H new ATOM 1491 N THR A 113 -5.624 -8.441 -3.794 1.00 0.00 N ATOM 1492 CA THR A 113 -6.543 -8.672 -2.687 1.00 0.00 C ATOM 1493 C THR A 113 -6.757 -10.164 -2.433 1.00 0.00 C ATOM 1494 O THR A 113 -6.754 -10.617 -1.285 1.00 0.00 O ATOM 1495 CB THR A 113 -7.899 -7.978 -2.959 1.00 0.00 C ATOM 1496 OG1 THR A 113 -8.365 -8.303 -4.265 1.00 0.00 O ATOM 1497 CG2 THR A 113 -7.776 -6.466 -2.820 1.00 0.00 C ATOM 0 H THR A 113 -6.027 -7.898 -4.558 1.00 0.00 H new ATOM 0 HA THR A 113 -6.094 -8.242 -1.791 1.00 0.00 H new ATOM 0 HB THR A 113 -8.615 -8.337 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.295 -8.608 -4.214 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.743 -6.003 -3.016 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.454 -6.219 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.043 -6.093 -3.536 1.00 0.00 H new ATOM 1505 N GLU A 114 -6.909 -10.930 -3.510 1.00 0.00 N ATOM 1506 CA GLU A 114 -7.122 -12.368 -3.398 1.00 0.00 C ATOM 1507 C GLU A 114 -5.895 -13.047 -2.804 1.00 0.00 C ATOM 1508 O GLU A 114 -6.014 -13.880 -1.903 1.00 0.00 O ATOM 1509 CB GLU A 114 -7.423 -12.991 -4.764 1.00 0.00 C ATOM 1510 CG GLU A 114 -7.766 -14.470 -4.683 1.00 0.00 C ATOM 1511 CD GLU A 114 -7.737 -15.159 -6.030 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -8.599 -14.860 -6.878 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -6.841 -16.001 -6.253 1.00 0.00 O ATOM 0 H GLU A 114 -6.889 -10.579 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.979 -12.520 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.253 -12.456 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.559 -12.860 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.062 -14.964 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.757 -14.584 -4.244 1.00 0.00 H new ATOM 1520 N LYS A 115 -4.718 -12.673 -3.301 1.00 0.00 N ATOM 1521 CA LYS A 115 -3.479 -13.330 -2.898 1.00 0.00 C ATOM 1522 C LYS A 115 -3.281 -13.219 -1.395 1.00 0.00 C ATOM 1523 O LYS A 115 -2.981 -14.204 -0.739 1.00 0.00 O ATOM 1524 CB LYS A 115 -2.264 -12.737 -3.615 1.00 0.00 C ATOM 1525 CG LYS A 115 -1.016 -13.599 -3.478 1.00 0.00 C ATOM 1526 CD LYS A 115 0.245 -12.847 -3.871 1.00 0.00 C ATOM 1527 CE LYS A 115 0.598 -11.778 -2.848 1.00 0.00 C ATOM 1528 NZ LYS A 115 1.863 -11.073 -3.187 1.00 0.00 N ATOM 0 H LYS A 115 -4.597 -11.922 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.566 -14.380 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.498 -12.611 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.060 -11.745 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.926 -13.944 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.118 -14.486 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 115 1.074 -13.549 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.105 -12.385 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.214 -11.054 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 115 0.692 -12.236 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 1.859 -10.126 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 2.672 -11.616 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 1.944 -10.983 -4.220 1.00 0.00 H new ATOM 1542 N LEU A 116 -3.470 -12.017 -0.863 1.00 0.00 N ATOM 1543 CA LEU A 116 -3.316 -11.767 0.570 1.00 0.00 C ATOM 1544 C LEU A 116 -4.267 -12.640 1.383 1.00 0.00 C ATOM 1545 O LEU A 116 -3.860 -13.316 2.327 1.00 0.00 O ATOM 1546 CB LEU A 116 -3.630 -10.310 0.875 1.00 0.00 C ATOM 1547 CG LEU A 116 -2.787 -9.276 0.128 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -3.453 -7.912 0.191 1.00 0.00 C ATOM 1549 CD2 LEU A 116 -1.391 -9.199 0.721 1.00 0.00 C ATOM 0 H LEU A 116 -3.732 -11.193 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.287 -12.003 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.680 -10.129 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.505 -10.148 1.946 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.707 -9.584 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.843 -7.184 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.440 -7.967 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.555 -7.604 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.805 -8.458 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.457 -8.911 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.908 -10.173 0.642 1.00 0.00 H new ATOM 1561 N ALA A 117 -5.536 -12.615 0.990 1.00 0.00 N ATOM 1562 CA ALA A 117 -6.594 -13.327 1.698 1.00 0.00 C ATOM 1563 C ALA A 117 -6.296 -14.818 1.796 1.00 0.00 C ATOM 1564 O ALA A 117 -6.562 -15.449 2.820 1.00 0.00 O ATOM 1565 CB ALA A 117 -7.925 -13.101 0.995 1.00 0.00 C ATOM 0 H ALA A 117 -5.860 -12.100 0.171 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.647 -12.934 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.713 -13.635 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.153 -12.035 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -7.863 -13.471 -0.028 1.00 0.00 H new ATOM 1571 N LYS A 118 -5.740 -15.371 0.729 1.00 0.00 N ATOM 1572 CA LYS A 118 -5.442 -16.797 0.663 1.00 0.00 C ATOM 1573 C LYS A 118 -4.035 -17.103 1.176 1.00 0.00 C ATOM 1574 O LYS A 118 -3.689 -18.265 1.388 1.00 0.00 O ATOM 1575 CB LYS A 118 -5.604 -17.315 -0.769 1.00 0.00 C ATOM 1576 CG LYS A 118 -4.624 -16.705 -1.756 1.00 0.00 C ATOM 1577 CD LYS A 118 -4.843 -17.235 -3.159 1.00 0.00 C ATOM 1578 CE LYS A 118 -4.567 -18.727 -3.245 1.00 0.00 C ATOM 1579 NZ LYS A 118 -4.781 -19.238 -4.621 1.00 0.00 N ATOM 0 H LYS A 118 -5.484 -14.851 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.154 -17.310 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.480 -18.398 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.620 -17.111 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.733 -15.620 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.604 -16.923 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -5.870 -17.036 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.193 -16.704 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.541 -18.927 -2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.218 -19.260 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.585 -20.259 -4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.767 -19.068 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.142 -18.746 -5.277 1.00 0.00 H new ATOM 1593 N LEU A 119 -3.220 -16.065 1.347 1.00 0.00 N ATOM 1594 CA LEU A 119 -1.791 -16.240 1.627 1.00 0.00 C ATOM 1595 C LEU A 119 -1.514 -16.660 3.076 1.00 0.00 C ATOM 1596 O LEU A 119 -0.376 -16.557 3.538 1.00 0.00 O ATOM 1597 CB LEU A 119 -1.064 -14.927 1.334 1.00 0.00 C ATOM 1598 CG LEU A 119 0.437 -15.042 1.080 1.00 0.00 C ATOM 1599 CD1 LEU A 119 0.699 -15.913 -0.136 1.00 0.00 C ATOM 1600 CD2 LEU A 119 1.036 -13.662 0.888 1.00 0.00 C ATOM 0 H LEU A 119 -3.522 -15.092 1.297 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.428 -17.043 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.527 -14.464 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.221 -14.251 2.175 1.00 0.00 H new ATOM 0 HG LEU A 119 0.909 -15.509 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.773 -15.987 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.289 -16.909 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.223 -15.470 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.107 -13.752 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.564 -13.176 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.868 -13.065 1.784 1.00 0.00 H new ATOM 1612 N GLU A 120 -2.529 -17.181 3.767 1.00 0.00 N ATOM 1613 CA GLU A 120 -2.414 -17.513 5.190 1.00 0.00 C ATOM 1614 C GLU A 120 -2.046 -16.276 5.994 1.00 0.00 C ATOM 1615 O GLU A 120 -0.869 -16.008 6.243 1.00 0.00 O ATOM 1616 CB GLU A 120 -1.378 -18.619 5.443 1.00 0.00 C ATOM 1617 CG GLU A 120 -1.946 -20.028 5.453 1.00 0.00 C ATOM 1618 CD GLU A 120 -2.587 -20.421 4.144 1.00 0.00 C ATOM 1619 OE1 GLU A 120 -1.857 -20.565 3.140 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -3.822 -20.613 4.118 1.00 0.00 O ATOM 0 H GLU A 120 -3.444 -17.383 3.363 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.387 -17.885 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.606 -18.558 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.891 -18.431 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.148 -20.733 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.685 -20.109 6.250 1.00 0.00 H new TER 1627 GLU A 120