USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 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 Single : A 18 ASN : amide:sc= -0.935 K(o=-0.93,f=-3.9!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.19) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 59:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 171:sc= -0.679 (180deg=-1.17) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.311 K(o=-0.31,f=-3.6!) USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= 1.3 (180deg=1.11) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 0.974 (180deg=0.577) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -128:sc= 1.18 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 -87:sc= 1.08 USER MOD Single : A 72 SER OG : rot 72:sc= 1.25 USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= -0.167 (180deg=-1.03) USER MOD Single : A 75 THR OG1 : rot -75:sc= 1.03 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 162:sc= 0.616 (180deg=0.426) USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= 0.521 (180deg=0.501) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00338 USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.17) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= 0.641 (180deg=0.399) USER MOD Single : A 100 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 101 SER OG : rot 160:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= 0.921 (180deg=0.323) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 113 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 149:sc= 1.29 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 1.049 -8.603 6.866 1.00 0.00 N ATOM 2 CA ASN A 18 0.074 -9.611 6.431 1.00 0.00 C ATOM 3 C ASN A 18 -1.326 -9.305 6.964 1.00 0.00 C ATOM 4 O ASN A 18 -1.649 -9.614 8.113 1.00 0.00 O ATOM 5 CB ASN A 18 0.487 -11.032 6.854 1.00 0.00 C ATOM 6 CG ASN A 18 1.870 -11.438 6.372 1.00 0.00 C ATOM 7 OD1 ASN A 18 2.033 -11.936 5.260 1.00 0.00 O ATOM 8 ND2 ASN A 18 2.874 -11.259 7.219 1.00 0.00 N ATOM 0 HA ASN A 18 0.054 -9.568 5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.457 -11.100 7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.245 -11.743 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.819 -11.538 6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.701 -10.842 8.134 1.00 0.00 H new ATOM 15 N TRP A 19 -2.154 -8.688 6.125 1.00 0.00 N ATOM 16 CA TRP A 19 -3.504 -8.311 6.525 1.00 0.00 C ATOM 17 C TRP A 19 -4.516 -9.247 5.869 1.00 0.00 C ATOM 18 O TRP A 19 -4.177 -9.970 4.935 1.00 0.00 O ATOM 19 CB TRP A 19 -3.809 -6.861 6.120 1.00 0.00 C ATOM 20 CG TRP A 19 -2.703 -5.886 6.400 1.00 0.00 C ATOM 21 CD1 TRP A 19 -1.576 -6.112 7.129 1.00 0.00 C ATOM 22 CD2 TRP A 19 -2.625 -4.523 5.962 1.00 0.00 C ATOM 23 NE1 TRP A 19 -0.788 -5.001 7.138 1.00 0.00 N ATOM 24 CE2 TRP A 19 -1.413 -4.001 6.445 1.00 0.00 C ATOM 25 CE3 TRP A 19 -3.458 -3.697 5.200 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -1.012 -2.692 6.195 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -3.061 -2.396 4.955 1.00 0.00 C ATOM 28 CH2 TRP A 19 -1.846 -1.904 5.453 1.00 0.00 C ATOM 0 H TRP A 19 -1.913 -8.439 5.166 1.00 0.00 H new ATOM 0 HA TRP A 19 -3.577 -8.392 7.610 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.036 -6.836 5.054 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.706 -6.533 6.645 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -1.340 -7.040 7.629 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.123 -4.927 7.590 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.394 -4.069 4.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.075 -2.312 6.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.697 -1.748 4.370 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -1.564 -0.882 5.246 1.00 0.00 H new ATOM 39 N ASP A 20 -5.750 -9.226 6.350 1.00 0.00 N ATOM 40 CA ASP A 20 -6.809 -10.062 5.784 1.00 0.00 C ATOM 41 C ASP A 20 -7.553 -9.296 4.694 1.00 0.00 C ATOM 42 O ASP A 20 -7.566 -8.073 4.711 1.00 0.00 O ATOM 43 CB ASP A 20 -7.774 -10.515 6.886 1.00 0.00 C ATOM 44 CG ASP A 20 -9.116 -10.976 6.348 1.00 0.00 C ATOM 45 OD1 ASP A 20 -9.198 -12.114 5.841 1.00 0.00 O ATOM 46 OD2 ASP A 20 -10.090 -10.194 6.423 1.00 0.00 O ATOM 0 H ASP A 20 -6.047 -8.641 7.131 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.360 -10.950 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.317 -11.328 7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.932 -9.692 7.584 1.00 0.00 H new ATOM 51 N ASP A 21 -8.172 -10.023 3.759 1.00 0.00 N ATOM 52 CA ASP A 21 -8.871 -9.414 2.618 1.00 0.00 C ATOM 53 C ASP A 21 -9.773 -8.266 3.062 1.00 0.00 C ATOM 54 O ASP A 21 -9.676 -7.143 2.560 1.00 0.00 O ATOM 55 CB ASP A 21 -9.723 -10.463 1.901 1.00 0.00 C ATOM 56 CG ASP A 21 -10.384 -9.923 0.643 1.00 0.00 C ATOM 57 OD1 ASP A 21 -11.365 -9.157 0.756 1.00 0.00 O ATOM 58 OD2 ASP A 21 -9.941 -10.281 -0.467 1.00 0.00 O ATOM 0 H ASP A 21 -8.204 -11.042 3.769 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.111 -9.021 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.097 -11.316 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.492 -10.828 2.582 1.00 0.00 H new ATOM 63 N ALA A 22 -10.636 -8.564 4.016 1.00 0.00 N ATOM 64 CA ALA A 22 -11.572 -7.592 4.531 1.00 0.00 C ATOM 65 C ALA A 22 -10.873 -6.663 5.509 1.00 0.00 C ATOM 66 O ALA A 22 -11.121 -5.459 5.520 1.00 0.00 O ATOM 67 CB ALA A 22 -12.744 -8.300 5.186 1.00 0.00 C ATOM 0 H ALA A 22 -10.705 -9.484 4.452 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.956 -6.988 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.446 -7.561 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.247 -8.928 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.382 -8.920 6.006 1.00 0.00 H new ATOM 73 N ASP A 23 -9.996 -7.240 6.326 1.00 0.00 N ATOM 74 CA ASP A 23 -9.220 -6.482 7.311 1.00 0.00 C ATOM 75 C ASP A 23 -8.471 -5.310 6.668 1.00 0.00 C ATOM 76 O ASP A 23 -8.461 -4.210 7.216 1.00 0.00 O ATOM 77 CB ASP A 23 -8.249 -7.416 8.040 1.00 0.00 C ATOM 78 CG ASP A 23 -7.225 -6.684 8.879 1.00 0.00 C ATOM 79 OD1 ASP A 23 -7.618 -6.007 9.850 1.00 0.00 O ATOM 80 OD2 ASP A 23 -6.020 -6.791 8.571 1.00 0.00 O ATOM 0 H ASP A 23 -9.802 -8.241 6.327 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.916 -6.057 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.817 -8.090 8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.732 -8.034 7.306 1.00 0.00 H new ATOM 85 N VAL A 24 -7.873 -5.540 5.500 1.00 0.00 N ATOM 86 CA VAL A 24 -7.206 -4.471 4.752 1.00 0.00 C ATOM 87 C VAL A 24 -8.163 -3.306 4.527 1.00 0.00 C ATOM 88 O VAL A 24 -7.859 -2.156 4.845 1.00 0.00 O ATOM 89 CB VAL A 24 -6.701 -4.958 3.369 1.00 0.00 C ATOM 90 CG1 VAL A 24 -6.064 -3.816 2.595 1.00 0.00 C ATOM 91 CG2 VAL A 24 -5.718 -6.105 3.510 1.00 0.00 C ATOM 0 H VAL A 24 -7.836 -6.455 5.050 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.351 -4.156 5.349 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.567 -5.319 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.717 -4.181 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.799 -3.026 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.219 -3.421 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.384 -6.422 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.859 -5.778 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.204 -6.941 4.014 1.00 0.00 H new ATOM 101 N LYS A 25 -9.335 -3.634 4.008 1.00 0.00 N ATOM 102 CA LYS A 25 -10.344 -2.643 3.675 1.00 0.00 C ATOM 103 C LYS A 25 -10.917 -1.994 4.934 1.00 0.00 C ATOM 104 O LYS A 25 -11.329 -0.834 4.912 1.00 0.00 O ATOM 105 CB LYS A 25 -11.434 -3.311 2.841 1.00 0.00 C ATOM 106 CG LYS A 25 -10.898 -3.858 1.528 1.00 0.00 C ATOM 107 CD LYS A 25 -11.713 -5.031 1.010 1.00 0.00 C ATOM 108 CE LYS A 25 -11.068 -5.624 -0.232 1.00 0.00 C ATOM 109 NZ LYS A 25 -11.693 -6.910 -0.642 1.00 0.00 N ATOM 0 H LYS A 25 -9.613 -4.594 3.806 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.889 -1.843 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.882 -4.122 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.226 -2.590 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.895 -3.064 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.863 -4.171 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.794 -5.794 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.726 -4.703 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.143 -4.910 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.006 -5.784 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.430 -7.126 -1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.359 -7.673 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.728 -6.832 -0.570 1.00 0.00 H new ATOM 123 N LYS A 26 -10.924 -2.742 6.033 1.00 0.00 N ATOM 124 CA LYS A 26 -11.350 -2.208 7.320 1.00 0.00 C ATOM 125 C LYS A 26 -10.331 -1.198 7.839 1.00 0.00 C ATOM 126 O LYS A 26 -10.700 -0.127 8.320 1.00 0.00 O ATOM 127 CB LYS A 26 -11.528 -3.327 8.350 1.00 0.00 C ATOM 128 CG LYS A 26 -12.615 -4.328 8.001 1.00 0.00 C ATOM 129 CD LYS A 26 -12.738 -5.394 9.074 1.00 0.00 C ATOM 130 CE LYS A 26 -13.771 -6.445 8.708 1.00 0.00 C ATOM 131 NZ LYS A 26 -13.911 -7.470 9.773 1.00 0.00 N ATOM 0 H LYS A 26 -10.639 -3.721 6.057 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.310 -1.713 7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.582 -3.858 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.757 -2.881 9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.568 -3.811 7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.389 -4.796 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.770 -5.872 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.013 -4.928 10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.734 -5.965 8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.484 -6.928 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.625 -8.171 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.998 -7.945 9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.209 -7.012 10.658 1.00 0.00 H new ATOM 145 N ARG A 27 -9.048 -1.542 7.731 1.00 0.00 N ATOM 146 CA ARG A 27 -7.976 -0.662 8.189 1.00 0.00 C ATOM 147 C ARG A 27 -8.028 0.664 7.450 1.00 0.00 C ATOM 148 O ARG A 27 -7.834 1.722 8.048 1.00 0.00 O ATOM 149 CB ARG A 27 -6.600 -1.298 7.986 1.00 0.00 C ATOM 150 CG ARG A 27 -6.402 -2.599 8.740 1.00 0.00 C ATOM 151 CD ARG A 27 -4.961 -3.078 8.651 1.00 0.00 C ATOM 152 NE ARG A 27 -4.817 -4.452 9.117 1.00 0.00 N ATOM 153 CZ ARG A 27 -3.871 -4.871 9.952 1.00 0.00 C ATOM 154 NH1 ARG A 27 -2.989 -4.017 10.458 1.00 0.00 N ATOM 155 NH2 ARG A 27 -3.821 -6.152 10.285 1.00 0.00 N ATOM 0 H ARG A 27 -8.727 -2.423 7.330 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.126 -0.496 9.256 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.449 -1.481 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.834 -0.589 8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.677 -2.461 9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.066 -3.362 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.617 -3.006 7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.323 -2.424 9.246 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.489 -5.140 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.033 -3.029 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.267 -4.349 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.504 -6.806 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.100 -6.485 10.925 1.00 0.00 H new ATOM 169 N TRP A 28 -8.298 0.596 6.151 1.00 0.00 N ATOM 170 CA TRP A 28 -8.427 1.793 5.326 1.00 0.00 C ATOM 171 C TRP A 28 -9.431 2.767 5.947 1.00 0.00 C ATOM 172 O TRP A 28 -9.151 3.959 6.088 1.00 0.00 O ATOM 173 CB TRP A 28 -8.872 1.422 3.906 1.00 0.00 C ATOM 174 CG TRP A 28 -7.843 0.673 3.105 1.00 0.00 C ATOM 175 CD1 TRP A 28 -6.538 0.429 3.443 1.00 0.00 C ATOM 176 CD2 TRP A 28 -8.037 0.077 1.814 1.00 0.00 C ATOM 177 NE1 TRP A 28 -5.912 -0.265 2.436 1.00 0.00 N ATOM 178 CE2 TRP A 28 -6.811 -0.498 1.428 1.00 0.00 C ATOM 179 CE3 TRP A 28 -9.130 -0.026 0.948 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -6.648 -1.162 0.213 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -8.966 -0.687 -0.257 1.00 0.00 C ATOM 182 CH2 TRP A 28 -7.734 -1.248 -0.614 1.00 0.00 C ATOM 0 H TRP A 28 -8.432 -0.279 5.644 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.452 2.277 5.275 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -9.776 0.816 3.969 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -9.136 2.335 3.372 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.070 0.737 4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.935 -0.559 2.438 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -10.085 0.402 1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.698 -1.593 -0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -9.803 -0.771 -0.934 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.639 -1.759 -1.561 1.00 0.00 H new ATOM 193 N ASP A 29 -10.588 2.245 6.342 1.00 0.00 N ATOM 194 CA ASP A 29 -11.634 3.065 6.951 1.00 0.00 C ATOM 195 C ASP A 29 -11.227 3.508 8.354 1.00 0.00 C ATOM 196 O ASP A 29 -11.407 4.671 8.725 1.00 0.00 O ATOM 197 CB ASP A 29 -12.959 2.298 7.016 1.00 0.00 C ATOM 198 CG ASP A 29 -14.090 3.137 7.583 1.00 0.00 C ATOM 199 OD1 ASP A 29 -14.685 3.934 6.826 1.00 0.00 O ATOM 200 OD2 ASP A 29 -14.402 3.000 8.786 1.00 0.00 O ATOM 0 H ASP A 29 -10.827 1.257 6.252 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.768 3.948 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.228 1.960 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.829 1.407 7.630 1.00 0.00 H new ATOM 205 N ALA A 30 -10.682 2.571 9.125 1.00 0.00 N ATOM 206 CA ALA A 30 -10.259 2.837 10.497 1.00 0.00 C ATOM 207 C ALA A 30 -9.251 3.984 10.565 1.00 0.00 C ATOM 208 O ALA A 30 -9.436 4.934 11.309 1.00 0.00 O ATOM 209 CB ALA A 30 -9.673 1.575 11.120 1.00 0.00 C ATOM 0 H ALA A 30 -10.522 1.611 8.819 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.139 3.140 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.361 1.785 12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.427 0.788 11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.811 1.248 10.538 1.00 0.00 H new ATOM 215 N PHE A 31 -8.204 3.906 9.762 1.00 0.00 N ATOM 216 CA PHE A 31 -7.156 4.928 9.770 1.00 0.00 C ATOM 217 C PHE A 31 -7.683 6.259 9.245 1.00 0.00 C ATOM 218 O PHE A 31 -7.095 7.310 9.494 1.00 0.00 O ATOM 219 CB PHE A 31 -5.942 4.476 8.955 1.00 0.00 C ATOM 220 CG PHE A 31 -5.183 3.341 9.590 1.00 0.00 C ATOM 221 CD1 PHE A 31 -4.730 3.438 10.898 1.00 0.00 C ATOM 222 CD2 PHE A 31 -4.916 2.182 8.880 1.00 0.00 C ATOM 223 CE1 PHE A 31 -4.028 2.400 11.483 1.00 0.00 C ATOM 224 CE2 PHE A 31 -4.217 1.141 9.460 1.00 0.00 C ATOM 225 CZ PHE A 31 -3.773 1.251 10.765 1.00 0.00 C ATOM 0 H PHE A 31 -8.051 3.149 9.095 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.842 5.069 10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.273 4.171 7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.269 5.323 8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.928 4.335 11.466 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.259 2.091 7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.680 2.489 12.501 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.018 0.242 8.895 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.227 0.438 11.221 1.00 0.00 H new ATOM 235 N THR A 32 -8.791 6.205 8.519 1.00 0.00 N ATOM 236 CA THR A 32 -9.467 7.411 8.073 1.00 0.00 C ATOM 237 C THR A 32 -10.128 8.115 9.261 1.00 0.00 C ATOM 238 O THR A 32 -10.102 9.342 9.365 1.00 0.00 O ATOM 239 CB THR A 32 -10.523 7.095 6.989 1.00 0.00 C ATOM 240 OG1 THR A 32 -9.891 6.485 5.856 1.00 0.00 O ATOM 241 CG2 THR A 32 -11.248 8.352 6.540 1.00 0.00 C ATOM 0 H THR A 32 -9.240 5.337 8.227 1.00 0.00 H new ATOM 0 HA THR A 32 -8.720 8.072 7.634 1.00 0.00 H new ATOM 0 HB THR A 32 -11.252 6.411 7.423 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.441 5.661 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.983 8.095 5.778 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.753 8.805 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.529 9.059 6.127 1.00 0.00 H new ATOM 249 N LYS A 33 -10.716 7.327 10.157 1.00 0.00 N ATOM 250 CA LYS A 33 -11.413 7.866 11.312 1.00 0.00 C ATOM 251 C LYS A 33 -10.775 7.430 12.633 1.00 0.00 C ATOM 252 O LYS A 33 -10.057 8.200 13.273 1.00 0.00 O ATOM 253 CB LYS A 33 -12.882 7.447 11.278 1.00 0.00 C ATOM 254 CG LYS A 33 -13.748 8.323 10.388 1.00 0.00 C ATOM 255 CD LYS A 33 -13.874 9.733 10.950 1.00 0.00 C ATOM 256 CE LYS A 33 -14.730 10.615 10.056 1.00 0.00 C ATOM 257 NZ LYS A 33 -14.937 11.971 10.636 1.00 0.00 N ATOM 0 H LYS A 33 -10.721 6.309 10.101 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.337 8.952 11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.948 6.415 10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.280 7.469 12.292 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.318 8.366 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.739 7.879 10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.312 9.690 11.947 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.883 10.174 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.256 10.708 9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.697 10.138 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.526 12.538 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.413 11.886 11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.017 12.438 10.764 1.00 0.00 H new ATOM 271 N PHE A 34 -11.043 6.195 13.040 1.00 0.00 N ATOM 272 CA PHE A 34 -10.665 5.736 14.371 1.00 0.00 C ATOM 273 C PHE A 34 -9.591 4.654 14.302 1.00 0.00 C ATOM 274 O PHE A 34 -9.842 3.561 13.793 1.00 0.00 O ATOM 275 CB PHE A 34 -11.895 5.211 15.112 1.00 0.00 C ATOM 276 CG PHE A 34 -11.669 5.006 16.584 1.00 0.00 C ATOM 277 CD1 PHE A 34 -11.760 6.075 17.461 1.00 0.00 C ATOM 278 CD2 PHE A 34 -11.366 3.752 17.090 1.00 0.00 C ATOM 279 CE1 PHE A 34 -11.555 5.897 18.816 1.00 0.00 C ATOM 280 CE2 PHE A 34 -11.159 3.567 18.444 1.00 0.00 C ATOM 281 CZ PHE A 34 -11.253 4.640 19.309 1.00 0.00 C ATOM 0 H PHE A 34 -11.519 5.496 12.470 1.00 0.00 H new ATOM 0 HA PHE A 34 -10.251 6.584 14.916 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.719 5.911 14.973 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.202 4.265 14.665 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -11.994 7.059 17.081 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.291 2.909 16.419 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.630 6.738 19.489 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.924 2.584 18.825 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.091 4.498 20.367 1.00 0.00 H new ATOM 291 N GLY A 35 -8.407 4.948 14.816 1.00 0.00 N ATOM 292 CA GLY A 35 -7.360 3.943 14.858 1.00 0.00 C ATOM 293 C GLY A 35 -5.984 4.513 14.594 1.00 0.00 C ATOM 294 O GLY A 35 -4.977 3.954 15.031 1.00 0.00 O ATOM 0 H GLY A 35 -8.151 5.856 15.203 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.366 3.460 15.835 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.575 3.171 14.120 1.00 0.00 H new ATOM 298 N ALA A 36 -5.938 5.643 13.900 1.00 0.00 N ATOM 299 CA ALA A 36 -4.674 6.271 13.537 1.00 0.00 C ATOM 300 C ALA A 36 -4.119 7.075 14.706 1.00 0.00 C ATOM 301 O ALA A 36 -3.881 8.277 14.598 1.00 0.00 O ATOM 302 CB ALA A 36 -4.862 7.153 12.311 1.00 0.00 C ATOM 0 H ALA A 36 -6.765 6.145 13.576 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.952 5.492 13.294 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.912 7.618 12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.212 6.546 11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.597 7.928 12.530 1.00 0.00 H new ATOM 308 N ALA A 37 -3.931 6.403 15.832 1.00 0.00 N ATOM 309 CA ALA A 37 -3.436 7.055 17.031 1.00 0.00 C ATOM 310 C ALA A 37 -2.007 6.621 17.345 1.00 0.00 C ATOM 311 O ALA A 37 -1.139 7.453 17.604 1.00 0.00 O ATOM 312 CB ALA A 37 -4.353 6.761 18.209 1.00 0.00 C ATOM 0 H ALA A 37 -4.115 5.405 15.939 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.428 8.130 16.852 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.969 7.256 19.101 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.355 7.131 17.991 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.392 5.685 18.380 1.00 0.00 H new ATOM 318 N THR A 38 -1.771 5.311 17.311 1.00 0.00 N ATOM 319 CA THR A 38 -0.457 4.759 17.622 1.00 0.00 C ATOM 320 C THR A 38 0.587 5.196 16.593 1.00 0.00 C ATOM 321 O THR A 38 1.757 5.401 16.922 1.00 0.00 O ATOM 322 CB THR A 38 -0.505 3.213 17.707 1.00 0.00 C ATOM 323 OG1 THR A 38 0.804 2.678 17.950 1.00 0.00 O ATOM 324 CG2 THR A 38 -1.073 2.602 16.433 1.00 0.00 C ATOM 0 H THR A 38 -2.474 4.613 17.071 1.00 0.00 H new ATOM 0 HA THR A 38 -0.165 5.151 18.596 1.00 0.00 H new ATOM 0 HB THR A 38 -1.161 2.955 18.538 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.753 1.701 18.002 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.092 1.516 16.527 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.086 2.970 16.273 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.448 2.882 15.585 1.00 0.00 H new ATOM 332 N ALA A 39 0.151 5.364 15.353 1.00 0.00 N ATOM 333 CA ALA A 39 1.041 5.781 14.284 1.00 0.00 C ATOM 334 C ALA A 39 0.787 7.236 13.914 1.00 0.00 C ATOM 335 O ALA A 39 -0.355 7.629 13.672 1.00 0.00 O ATOM 336 CB ALA A 39 0.862 4.881 13.070 1.00 0.00 C ATOM 0 H ALA A 39 -0.816 5.217 15.064 1.00 0.00 H new ATOM 0 HA ALA A 39 2.070 5.693 14.633 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.535 5.204 12.275 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.091 3.851 13.344 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.169 4.943 12.720 1.00 0.00 H new ATOM 342 N THR A 40 1.850 8.029 13.876 1.00 0.00 N ATOM 343 CA THR A 40 1.743 9.434 13.508 1.00 0.00 C ATOM 344 C THR A 40 1.304 9.573 12.050 1.00 0.00 C ATOM 345 O THR A 40 0.588 10.507 11.694 1.00 0.00 O ATOM 346 CB THR A 40 3.079 10.182 13.742 1.00 0.00 C ATOM 347 OG1 THR A 40 2.938 11.570 13.423 1.00 0.00 O ATOM 348 CG2 THR A 40 4.212 9.579 12.918 1.00 0.00 C ATOM 0 H THR A 40 2.798 7.722 14.096 1.00 0.00 H new ATOM 0 HA THR A 40 0.987 9.889 14.148 1.00 0.00 H new ATOM 0 HB THR A 40 3.331 10.076 14.797 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.790 12.029 13.577 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.133 10.130 13.108 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.349 8.534 13.198 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.964 9.641 11.858 1.00 0.00 H new ATOM 356 N GLU A 41 1.730 8.616 11.233 1.00 0.00 N ATOM 357 CA GLU A 41 1.374 8.546 9.823 1.00 0.00 C ATOM 358 C GLU A 41 2.011 7.284 9.265 1.00 0.00 C ATOM 359 O GLU A 41 2.455 6.436 10.047 1.00 0.00 O ATOM 360 CB GLU A 41 1.864 9.776 9.057 1.00 0.00 C ATOM 361 CG GLU A 41 0.867 10.283 8.029 1.00 0.00 C ATOM 362 CD GLU A 41 -0.401 10.819 8.666 1.00 0.00 C ATOM 363 OE1 GLU A 41 -1.292 10.013 9.011 1.00 0.00 O ATOM 364 OE2 GLU A 41 -0.512 12.053 8.840 1.00 0.00 O ATOM 0 H GLU A 41 2.340 7.857 11.537 1.00 0.00 H new ATOM 0 HA GLU A 41 0.290 8.522 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.081 10.574 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.801 9.533 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.331 11.069 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.612 9.474 7.345 1.00 0.00 H new ATOM 371 N MET A 42 2.090 7.145 7.952 1.00 0.00 N ATOM 372 CA MET A 42 2.697 5.953 7.384 1.00 0.00 C ATOM 373 C MET A 42 4.211 6.117 7.312 1.00 0.00 C ATOM 374 O MET A 42 4.731 6.900 6.516 1.00 0.00 O ATOM 375 CB MET A 42 2.123 5.640 6.003 1.00 0.00 C ATOM 376 CG MET A 42 2.523 4.267 5.491 1.00 0.00 C ATOM 377 SD MET A 42 2.038 2.944 6.621 1.00 0.00 S ATOM 378 CE MET A 42 2.659 1.499 5.763 1.00 0.00 C ATOM 0 H MET A 42 1.750 7.826 7.273 1.00 0.00 H new ATOM 0 HA MET A 42 2.464 5.111 8.036 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.036 5.703 6.045 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.460 6.398 5.295 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.063 4.097 4.518 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.603 4.237 5.343 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.576 0.627 6.412 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.075 1.334 4.858 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.704 1.655 5.497 1.00 0.00 H new ATOM 388 N THR A 43 4.918 5.389 8.164 1.00 0.00 N ATOM 389 CA THR A 43 6.366 5.475 8.223 1.00 0.00 C ATOM 390 C THR A 43 7.008 4.890 6.970 1.00 0.00 C ATOM 391 O THR A 43 6.809 3.718 6.647 1.00 0.00 O ATOM 392 CB THR A 43 6.907 4.764 9.477 1.00 0.00 C ATOM 393 OG1 THR A 43 6.179 3.550 9.704 1.00 0.00 O ATOM 394 CG2 THR A 43 6.798 5.664 10.700 1.00 0.00 C ATOM 0 H THR A 43 4.508 4.730 8.826 1.00 0.00 H new ATOM 0 HA THR A 43 6.629 6.531 8.279 1.00 0.00 H new ATOM 0 HB THR A 43 7.959 4.531 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.530 3.103 10.502 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.186 5.140 11.573 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.376 6.573 10.535 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.753 5.924 10.868 1.00 0.00 H new ATOM 402 N GLY A 44 7.775 5.724 6.269 1.00 0.00 N ATOM 403 CA GLY A 44 8.405 5.317 5.023 1.00 0.00 C ATOM 404 C GLY A 44 9.240 4.057 5.153 1.00 0.00 C ATOM 405 O GLY A 44 9.259 3.232 4.244 1.00 0.00 O ATOM 0 H GLY A 44 7.973 6.685 6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.633 5.156 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.038 6.128 4.663 1.00 0.00 H new ATOM 409 N LYS A 45 9.921 3.911 6.287 1.00 0.00 N ATOM 410 CA LYS A 45 10.731 2.725 6.548 1.00 0.00 C ATOM 411 C LYS A 45 9.878 1.463 6.468 1.00 0.00 C ATOM 412 O LYS A 45 10.136 0.572 5.655 1.00 0.00 O ATOM 413 CB LYS A 45 11.380 2.826 7.932 1.00 0.00 C ATOM 414 CG LYS A 45 12.166 1.585 8.330 1.00 0.00 C ATOM 415 CD LYS A 45 12.605 1.641 9.784 1.00 0.00 C ATOM 416 CE LYS A 45 13.297 0.354 10.203 1.00 0.00 C ATOM 417 NZ LYS A 45 13.623 0.346 11.652 1.00 0.00 N ATOM 0 H LYS A 45 9.928 4.599 7.040 1.00 0.00 H new ATOM 0 HA LYS A 45 11.511 2.667 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.046 3.689 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.604 3.008 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.553 0.698 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.042 1.488 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.281 2.484 9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.738 1.814 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.655 -0.496 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.212 0.229 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.094 -0.548 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.256 1.142 11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.747 0.439 12.205 1.00 0.00 H new ATOM 431 N ASN A 46 8.853 1.406 7.310 1.00 0.00 N ATOM 432 CA ASN A 46 7.964 0.252 7.364 1.00 0.00 C ATOM 433 C ASN A 46 7.278 0.056 6.022 1.00 0.00 C ATOM 434 O ASN A 46 7.105 -1.071 5.564 1.00 0.00 O ATOM 435 CB ASN A 46 6.903 0.424 8.462 1.00 0.00 C ATOM 436 CG ASN A 46 7.491 0.605 9.853 1.00 0.00 C ATOM 437 OD1 ASN A 46 8.568 1.175 10.025 1.00 0.00 O ATOM 438 ND2 ASN A 46 6.779 0.128 10.861 1.00 0.00 N ATOM 0 H ASN A 46 8.616 2.149 7.967 1.00 0.00 H new ATOM 0 HA ASN A 46 8.567 -0.626 7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.282 1.288 8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.249 -0.448 8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.119 0.227 11.818 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.890 -0.339 10.682 1.00 0.00 H new ATOM 445 N PHE A 47 6.915 1.170 5.397 1.00 0.00 N ATOM 446 CA PHE A 47 6.235 1.158 4.108 1.00 0.00 C ATOM 447 C PHE A 47 7.099 0.484 3.041 1.00 0.00 C ATOM 448 O PHE A 47 6.622 -0.380 2.309 1.00 0.00 O ATOM 449 CB PHE A 47 5.898 2.595 3.698 1.00 0.00 C ATOM 450 CG PHE A 47 5.024 2.699 2.482 1.00 0.00 C ATOM 451 CD1 PHE A 47 3.655 2.503 2.580 1.00 0.00 C ATOM 452 CD2 PHE A 47 5.567 3.000 1.242 1.00 0.00 C ATOM 453 CE1 PHE A 47 2.844 2.602 1.470 1.00 0.00 C ATOM 454 CE2 PHE A 47 4.759 3.099 0.127 1.00 0.00 C ATOM 455 CZ PHE A 47 3.396 2.900 0.244 1.00 0.00 C ATOM 0 H PHE A 47 7.083 2.105 5.769 1.00 0.00 H new ATOM 0 HA PHE A 47 5.313 0.584 4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.402 3.092 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.826 3.135 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.218 2.269 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.631 3.158 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.779 2.446 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.191 3.332 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.763 2.978 -0.628 1.00 0.00 H new ATOM 465 N ASP A 48 8.368 0.874 2.971 1.00 0.00 N ATOM 466 CA ASP A 48 9.303 0.311 1.994 1.00 0.00 C ATOM 467 C ASP A 48 9.418 -1.199 2.153 1.00 0.00 C ATOM 468 O ASP A 48 9.450 -1.946 1.173 1.00 0.00 O ATOM 469 CB ASP A 48 10.689 0.943 2.158 1.00 0.00 C ATOM 470 CG ASP A 48 11.728 0.340 1.225 1.00 0.00 C ATOM 471 OD1 ASP A 48 11.862 0.826 0.087 1.00 0.00 O ATOM 472 OD2 ASP A 48 12.441 -0.607 1.640 1.00 0.00 O ATOM 0 H ASP A 48 8.777 1.581 3.581 1.00 0.00 H new ATOM 0 HA ASP A 48 8.916 0.532 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.619 2.015 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.019 0.820 3.189 1.00 0.00 H new ATOM 477 N LYS A 49 9.439 -1.646 3.397 1.00 0.00 N ATOM 478 CA LYS A 49 9.656 -3.052 3.688 1.00 0.00 C ATOM 479 C LYS A 49 8.384 -3.823 3.390 1.00 0.00 C ATOM 480 O LYS A 49 8.417 -4.890 2.780 1.00 0.00 O ATOM 481 CB LYS A 49 10.093 -3.285 5.144 1.00 0.00 C ATOM 482 CG LYS A 49 11.188 -2.347 5.662 1.00 0.00 C ATOM 483 CD LYS A 49 12.181 -1.908 4.585 1.00 0.00 C ATOM 484 CE LYS A 49 12.930 -3.070 3.953 1.00 0.00 C ATOM 485 NZ LYS A 49 13.809 -2.604 2.848 1.00 0.00 N ATOM 0 H LYS A 49 9.309 -1.057 4.220 1.00 0.00 H new ATOM 0 HA LYS A 49 10.468 -3.408 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.219 -3.185 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.444 -4.313 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.721 -1.463 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.732 -2.846 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.646 -1.363 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.900 -1.216 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.530 -3.575 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.217 -3.801 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.754 -3.274 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.498 -1.664 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.791 -2.547 3.186 1.00 0.00 H new ATOM 499 N TRP A 50 7.270 -3.258 3.835 1.00 0.00 N ATOM 500 CA TRP A 50 5.947 -3.783 3.538 1.00 0.00 C ATOM 501 C TRP A 50 5.761 -3.941 2.031 1.00 0.00 C ATOM 502 O TRP A 50 5.253 -4.958 1.560 1.00 0.00 O ATOM 503 CB TRP A 50 4.889 -2.833 4.121 1.00 0.00 C ATOM 504 CG TRP A 50 3.496 -3.058 3.606 1.00 0.00 C ATOM 505 CD1 TRP A 50 2.820 -2.278 2.710 1.00 0.00 C ATOM 506 CD2 TRP A 50 2.610 -4.124 3.958 1.00 0.00 C ATOM 507 NE1 TRP A 50 1.572 -2.798 2.479 1.00 0.00 N ATOM 508 CE2 TRP A 50 1.419 -3.930 3.231 1.00 0.00 C ATOM 509 CE3 TRP A 50 2.706 -5.229 4.809 1.00 0.00 C ATOM 510 CZ2 TRP A 50 0.336 -4.792 3.338 1.00 0.00 C ATOM 511 CZ3 TRP A 50 1.628 -6.083 4.911 1.00 0.00 C ATOM 512 CH2 TRP A 50 0.457 -5.860 4.179 1.00 0.00 C ATOM 0 H TRP A 50 7.260 -2.419 4.415 1.00 0.00 H new ATOM 0 HA TRP A 50 5.835 -4.768 3.992 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.883 -2.939 5.206 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.182 -1.806 3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.212 -1.382 2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.872 -2.405 1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.607 -5.410 5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.570 -4.623 2.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.689 -6.939 5.567 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.369 -6.548 4.282 1.00 0.00 H new ATOM 523 N LEU A 51 6.215 -2.948 1.279 1.00 0.00 N ATOM 524 CA LEU A 51 6.022 -2.941 -0.168 1.00 0.00 C ATOM 525 C LEU A 51 6.901 -3.978 -0.860 1.00 0.00 C ATOM 526 O LEU A 51 6.442 -4.705 -1.750 1.00 0.00 O ATOM 527 CB LEU A 51 6.310 -1.551 -0.736 1.00 0.00 C ATOM 528 CG LEU A 51 5.073 -0.717 -1.079 1.00 0.00 C ATOM 529 CD1 LEU A 51 4.236 -1.404 -2.147 1.00 0.00 C ATOM 530 CD2 LEU A 51 4.240 -0.467 0.162 1.00 0.00 C ATOM 0 H LEU A 51 6.718 -2.139 1.643 1.00 0.00 H new ATOM 0 HA LEU A 51 4.981 -3.202 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.912 -0.999 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.914 -1.662 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 51 5.410 0.242 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.363 -0.793 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.833 -1.533 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.912 -2.379 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.365 0.127 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.919 -1.420 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.837 0.072 0.898 1.00 0.00 H new ATOM 542 N LYS A 52 8.160 -4.041 -0.453 1.00 0.00 N ATOM 543 CA LYS A 52 9.110 -4.971 -1.045 1.00 0.00 C ATOM 544 C LYS A 52 8.800 -6.416 -0.656 1.00 0.00 C ATOM 545 O LYS A 52 8.819 -7.310 -1.503 1.00 0.00 O ATOM 546 CB LYS A 52 10.536 -4.591 -0.630 1.00 0.00 C ATOM 547 CG LYS A 52 11.568 -5.677 -0.891 1.00 0.00 C ATOM 548 CD LYS A 52 12.985 -5.154 -0.723 1.00 0.00 C ATOM 549 CE LYS A 52 13.412 -4.317 -1.918 1.00 0.00 C ATOM 550 NZ LYS A 52 13.486 -5.136 -3.156 1.00 0.00 N ATOM 0 H LYS A 52 8.548 -3.457 0.287 1.00 0.00 H new ATOM 0 HA LYS A 52 9.023 -4.903 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.831 -3.688 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.541 -4.347 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.403 -6.509 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.440 -6.066 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.048 -4.554 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.671 -5.992 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.705 -3.500 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.384 -3.866 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.043 -4.630 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.941 -6.046 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.526 -5.305 -3.518 1.00 0.00 H new ATOM 564 N ASP A 53 8.492 -6.633 0.615 1.00 0.00 N ATOM 565 CA ASP A 53 8.263 -7.983 1.128 1.00 0.00 C ATOM 566 C ASP A 53 6.991 -8.586 0.541 1.00 0.00 C ATOM 567 O ASP A 53 6.958 -9.766 0.189 1.00 0.00 O ATOM 568 CB ASP A 53 8.182 -7.965 2.654 1.00 0.00 C ATOM 569 CG ASP A 53 8.001 -9.344 3.248 1.00 0.00 C ATOM 570 OD1 ASP A 53 8.763 -10.265 2.882 1.00 0.00 O ATOM 571 OD2 ASP A 53 7.124 -9.505 4.116 1.00 0.00 O ATOM 0 H ASP A 53 8.394 -5.895 1.312 1.00 0.00 H new ATOM 0 HA ASP A 53 9.105 -8.605 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.091 -7.518 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.351 -7.330 2.962 1.00 0.00 H new ATOM 576 N ALA A 54 5.950 -7.766 0.421 1.00 0.00 N ATOM 577 CA ALA A 54 4.693 -8.205 -0.175 1.00 0.00 C ATOM 578 C ALA A 54 4.890 -8.596 -1.636 1.00 0.00 C ATOM 579 O ALA A 54 4.176 -9.449 -2.168 1.00 0.00 O ATOM 580 CB ALA A 54 3.633 -7.119 -0.053 1.00 0.00 C ATOM 0 H ALA A 54 5.953 -6.794 0.729 1.00 0.00 H new ATOM 0 HA ALA A 54 4.351 -9.085 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.703 -7.466 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.464 -6.892 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.972 -6.220 -0.568 1.00 0.00 H new ATOM 586 N GLY A 55 5.865 -7.968 -2.280 1.00 0.00 N ATOM 587 CA GLY A 55 6.149 -8.267 -3.666 1.00 0.00 C ATOM 588 C GLY A 55 5.405 -7.346 -4.603 1.00 0.00 C ATOM 589 O GLY A 55 5.084 -7.719 -5.731 1.00 0.00 O ATOM 0 H GLY A 55 6.465 -7.255 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.221 -8.179 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.875 -9.300 -3.878 1.00 0.00 H new ATOM 593 N VAL A 56 5.121 -6.143 -4.127 1.00 0.00 N ATOM 594 CA VAL A 56 4.405 -5.160 -4.922 1.00 0.00 C ATOM 595 C VAL A 56 5.373 -4.109 -5.453 1.00 0.00 C ATOM 596 O VAL A 56 5.284 -3.685 -6.604 1.00 0.00 O ATOM 597 CB VAL A 56 3.294 -4.473 -4.097 1.00 0.00 C ATOM 598 CG1 VAL A 56 2.480 -3.523 -4.963 1.00 0.00 C ATOM 599 CG2 VAL A 56 2.394 -5.512 -3.443 1.00 0.00 C ATOM 0 H VAL A 56 5.377 -5.825 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 56 3.939 -5.682 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 56 3.769 -3.886 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.705 -3.053 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.135 -2.755 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.017 -4.080 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.618 -5.009 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.932 -6.129 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.987 -6.142 -2.781 1.00 0.00 H new ATOM 609 N LEU A 57 6.312 -3.705 -4.608 1.00 0.00 N ATOM 610 CA LEU A 57 7.301 -2.714 -4.992 1.00 0.00 C ATOM 611 C LEU A 57 8.649 -3.381 -5.228 1.00 0.00 C ATOM 612 O LEU A 57 9.071 -4.238 -4.451 1.00 0.00 O ATOM 613 CB LEU A 57 7.399 -1.622 -3.921 1.00 0.00 C ATOM 614 CG LEU A 57 8.431 -0.517 -4.172 1.00 0.00 C ATOM 615 CD1 LEU A 57 7.875 0.829 -3.736 1.00 0.00 C ATOM 616 CD2 LEU A 57 9.717 -0.812 -3.414 1.00 0.00 C ATOM 0 H LEU A 57 6.407 -4.050 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 57 6.992 -2.243 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.419 -1.157 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.631 -2.097 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 57 8.649 -0.484 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.617 1.606 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.971 1.050 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.638 0.797 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.440 -0.019 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.506 -0.865 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.127 -1.764 -3.750 1.00 0.00 H new ATOM 628 N ASP A 58 9.306 -2.960 -6.305 1.00 0.00 N ATOM 629 CA ASP A 58 10.565 -3.542 -6.763 1.00 0.00 C ATOM 630 C ASP A 58 10.359 -4.990 -7.190 1.00 0.00 C ATOM 631 O ASP A 58 10.287 -5.902 -6.366 1.00 0.00 O ATOM 632 CB ASP A 58 11.671 -3.440 -5.708 1.00 0.00 C ATOM 633 CG ASP A 58 13.032 -3.803 -6.278 1.00 0.00 C ATOM 634 OD1 ASP A 58 13.172 -3.848 -7.521 1.00 0.00 O ATOM 635 OD2 ASP A 58 13.973 -4.034 -5.488 1.00 0.00 O ATOM 0 H ASP A 58 8.975 -2.195 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 58 10.894 -2.962 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.702 -2.425 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.439 -4.101 -4.873 1.00 0.00 H new ATOM 640 N ASN A 59 10.271 -5.181 -8.491 1.00 0.00 N ATOM 641 CA ASN A 59 9.972 -6.482 -9.070 1.00 0.00 C ATOM 642 C ASN A 59 10.557 -6.574 -10.471 1.00 0.00 C ATOM 643 O ASN A 59 11.237 -7.542 -10.812 1.00 0.00 O ATOM 644 CB ASN A 59 8.455 -6.703 -9.115 1.00 0.00 C ATOM 645 CG ASN A 59 8.052 -7.916 -9.935 1.00 0.00 C ATOM 646 OD1 ASN A 59 7.819 -7.810 -11.141 1.00 0.00 O ATOM 647 ND2 ASN A 59 7.962 -9.070 -9.294 1.00 0.00 N ATOM 0 H ASN A 59 10.404 -4.440 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 59 10.421 -7.257 -8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.081 -6.819 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.977 -5.816 -9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.691 -9.914 -9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.163 -9.116 -8.295 1.00 0.00 H new ATOM 654 N LYS A 60 10.291 -5.549 -11.272 1.00 0.00 N ATOM 655 CA LYS A 60 10.807 -5.477 -12.635 1.00 0.00 C ATOM 656 C LYS A 60 10.531 -4.106 -13.236 1.00 0.00 C ATOM 657 O LYS A 60 11.450 -3.347 -13.534 1.00 0.00 O ATOM 658 CB LYS A 60 10.170 -6.555 -13.513 1.00 0.00 C ATOM 659 CG LYS A 60 10.751 -6.615 -14.915 1.00 0.00 C ATOM 660 CD LYS A 60 10.049 -7.663 -15.758 1.00 0.00 C ATOM 661 CE LYS A 60 10.607 -7.699 -17.169 1.00 0.00 C ATOM 662 NZ LYS A 60 9.887 -8.678 -18.023 1.00 0.00 N ATOM 0 H LYS A 60 9.717 -4.751 -10.999 1.00 0.00 H new ATOM 0 HA LYS A 60 11.884 -5.643 -12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.298 -7.525 -13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.098 -6.371 -13.580 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.658 -5.639 -15.392 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.816 -6.842 -14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.164 -8.643 -15.294 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.981 -7.450 -15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.535 -6.707 -17.614 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.666 -7.956 -17.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.297 -8.673 -18.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.977 -9.629 -17.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.881 -8.418 -18.077 1.00 0.00 H new ATOM 676 N ALA A 61 9.253 -3.786 -13.384 1.00 0.00 N ATOM 677 CA ALA A 61 8.836 -2.535 -14.015 1.00 0.00 C ATOM 678 C ALA A 61 8.895 -1.362 -13.038 1.00 0.00 C ATOM 679 O ALA A 61 8.492 -0.247 -13.369 1.00 0.00 O ATOM 680 CB ALA A 61 7.429 -2.680 -14.578 1.00 0.00 C ATOM 0 H ALA A 61 8.481 -4.377 -13.075 1.00 0.00 H new ATOM 0 HA ALA A 61 9.531 -2.323 -14.827 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.126 -1.743 -15.046 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.415 -3.478 -15.320 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.737 -2.922 -13.771 1.00 0.00 H new ATOM 686 N ILE A 62 9.413 -1.611 -11.846 1.00 0.00 N ATOM 687 CA ILE A 62 9.485 -0.585 -10.820 1.00 0.00 C ATOM 688 C ILE A 62 10.754 0.242 -10.985 1.00 0.00 C ATOM 689 O ILE A 62 11.866 -0.274 -10.856 1.00 0.00 O ATOM 690 CB ILE A 62 9.443 -1.207 -9.410 1.00 0.00 C ATOM 691 CG1 ILE A 62 8.133 -1.973 -9.207 1.00 0.00 C ATOM 692 CG2 ILE A 62 9.613 -0.137 -8.339 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.889 -1.113 -9.332 1.00 0.00 C ATOM 0 H ILE A 62 9.790 -2.516 -11.565 1.00 0.00 H new ATOM 0 HA ILE A 62 8.618 0.065 -10.935 1.00 0.00 H new ATOM 0 HB ILE A 62 10.273 -1.908 -9.319 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.079 -2.780 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.144 -2.436 -8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.580 -0.601 -7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.572 0.363 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.808 0.594 -8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.004 -1.729 -9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.917 -0.321 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.851 -0.670 -10.327 1.00 0.00 H new ATOM 705 N THR A 63 10.574 1.519 -11.296 1.00 0.00 N ATOM 706 CA THR A 63 11.687 2.433 -11.500 1.00 0.00 C ATOM 707 C THR A 63 11.558 3.631 -10.576 1.00 0.00 C ATOM 708 O THR A 63 10.477 3.893 -10.046 1.00 0.00 O ATOM 709 CB THR A 63 11.723 2.949 -12.952 1.00 0.00 C ATOM 710 OG1 THR A 63 10.600 3.812 -13.191 1.00 0.00 O ATOM 711 CG2 THR A 63 11.691 1.792 -13.932 1.00 0.00 C ATOM 0 H THR A 63 9.656 1.948 -11.413 1.00 0.00 H new ATOM 0 HA THR A 63 12.604 1.884 -11.286 1.00 0.00 H new ATOM 0 HB THR A 63 12.649 3.506 -13.097 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.125 3.516 -13.995 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.717 2.178 -14.951 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.556 1.150 -13.765 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.777 1.216 -13.785 1.00 0.00 H new ATOM 719 N GLY A 64 12.646 4.368 -10.399 1.00 0.00 N ATOM 720 CA GLY A 64 12.596 5.599 -9.631 1.00 0.00 C ATOM 721 C GLY A 64 11.801 6.671 -10.354 1.00 0.00 C ATOM 722 O GLY A 64 11.342 7.640 -9.750 1.00 0.00 O ATOM 0 H GLY A 64 13.566 4.136 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.146 5.404 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.609 5.957 -9.448 1.00 0.00 H new ATOM 726 N THR A 65 11.635 6.481 -11.654 1.00 0.00 N ATOM 727 CA THR A 65 10.878 7.401 -12.483 1.00 0.00 C ATOM 728 C THR A 65 9.383 7.310 -12.173 1.00 0.00 C ATOM 729 O THR A 65 8.756 8.304 -11.806 1.00 0.00 O ATOM 730 CB THR A 65 11.124 7.093 -13.971 1.00 0.00 C ATOM 731 OG1 THR A 65 12.534 7.091 -14.228 1.00 0.00 O ATOM 732 CG2 THR A 65 10.441 8.112 -14.871 1.00 0.00 C ATOM 0 H THR A 65 12.021 5.685 -12.162 1.00 0.00 H new ATOM 0 HA THR A 65 11.214 8.415 -12.264 1.00 0.00 H new ATOM 0 HB THR A 65 10.701 6.113 -14.192 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.694 6.893 -15.174 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.636 7.864 -15.914 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.366 8.096 -14.689 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.831 9.107 -14.656 1.00 0.00 H new ATOM 740 N MET A 66 8.825 6.111 -12.298 1.00 0.00 N ATOM 741 CA MET A 66 7.402 5.897 -12.040 1.00 0.00 C ATOM 742 C MET A 66 7.073 6.125 -10.569 1.00 0.00 C ATOM 743 O MET A 66 6.112 6.820 -10.237 1.00 0.00 O ATOM 744 CB MET A 66 6.971 4.479 -12.443 1.00 0.00 C ATOM 745 CG MET A 66 6.744 4.283 -13.937 1.00 0.00 C ATOM 746 SD MET A 66 8.250 4.461 -14.917 1.00 0.00 S ATOM 747 CE MET A 66 7.619 4.101 -16.556 1.00 0.00 C ATOM 0 H MET A 66 9.334 5.272 -12.576 1.00 0.00 H new ATOM 0 HA MET A 66 6.853 6.619 -12.645 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.732 3.774 -12.109 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.051 4.229 -11.914 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.323 3.292 -14.107 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.006 5.006 -14.283 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.430 4.169 -17.281 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.202 3.094 -16.572 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.841 4.820 -16.813 1.00 0.00 H new ATOM 757 N THR A 67 7.885 5.550 -9.692 1.00 0.00 N ATOM 758 CA THR A 67 7.630 5.619 -8.261 1.00 0.00 C ATOM 759 C THR A 67 7.806 7.040 -7.736 1.00 0.00 C ATOM 760 O THR A 67 7.041 7.491 -6.883 1.00 0.00 O ATOM 761 CB THR A 67 8.554 4.659 -7.487 1.00 0.00 C ATOM 762 OG1 THR A 67 9.923 5.016 -7.707 1.00 0.00 O ATOM 763 CG2 THR A 67 8.328 3.222 -7.936 1.00 0.00 C ATOM 0 H THR A 67 8.725 5.031 -9.947 1.00 0.00 H new ATOM 0 HA THR A 67 6.595 5.315 -8.102 1.00 0.00 H new ATOM 0 HB THR A 67 8.322 4.739 -6.425 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.250 4.575 -8.519 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.989 2.558 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.291 2.941 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.542 3.136 -9.001 1.00 0.00 H new ATOM 771 N GLY A 68 8.806 7.742 -8.266 1.00 0.00 N ATOM 772 CA GLY A 68 9.082 9.105 -7.846 1.00 0.00 C ATOM 773 C GLY A 68 7.888 10.016 -8.023 1.00 0.00 C ATOM 774 O GLY A 68 7.543 10.777 -7.120 1.00 0.00 O ATOM 0 H GLY A 68 9.435 7.386 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.384 9.105 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.922 9.496 -8.420 1.00 0.00 H new ATOM 778 N ILE A 69 7.247 9.923 -9.182 1.00 0.00 N ATOM 779 CA ILE A 69 6.055 10.711 -9.471 1.00 0.00 C ATOM 780 C ILE A 69 4.950 10.404 -8.459 1.00 0.00 C ATOM 781 O ILE A 69 4.304 11.316 -7.932 1.00 0.00 O ATOM 782 CB ILE A 69 5.537 10.433 -10.898 1.00 0.00 C ATOM 783 CG1 ILE A 69 6.632 10.734 -11.923 1.00 0.00 C ATOM 784 CG2 ILE A 69 4.292 11.262 -11.190 1.00 0.00 C ATOM 785 CD1 ILE A 69 6.255 10.361 -13.341 1.00 0.00 C ATOM 0 H ILE A 69 7.535 9.306 -9.941 1.00 0.00 H new ATOM 0 HA ILE A 69 6.330 11.763 -9.397 1.00 0.00 H new ATOM 0 HB ILE A 69 5.269 9.379 -10.970 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.869 11.797 -11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.538 10.196 -11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.943 11.051 -12.201 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.509 11.007 -10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.532 12.322 -11.103 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.079 10.603 -14.012 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.046 9.292 -13.393 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.368 10.919 -13.640 1.00 0.00 H new ATOM 797 N ALA A 70 4.758 9.115 -8.188 1.00 0.00 N ATOM 798 CA ALA A 70 3.760 8.668 -7.225 1.00 0.00 C ATOM 799 C ALA A 70 4.027 9.272 -5.852 1.00 0.00 C ATOM 800 O ALA A 70 3.155 9.920 -5.271 1.00 0.00 O ATOM 801 CB ALA A 70 3.756 7.147 -7.139 1.00 0.00 C ATOM 0 H ALA A 70 5.285 8.359 -8.626 1.00 0.00 H new ATOM 0 HA ALA A 70 2.780 9.005 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.006 6.825 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.520 6.728 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.739 6.798 -6.822 1.00 0.00 H new ATOM 807 N PHE A 71 5.244 9.075 -5.356 1.00 0.00 N ATOM 808 CA PHE A 71 5.638 9.589 -4.050 1.00 0.00 C ATOM 809 C PHE A 71 5.504 11.107 -3.984 1.00 0.00 C ATOM 810 O PHE A 71 5.026 11.640 -2.990 1.00 0.00 O ATOM 811 CB PHE A 71 7.064 9.161 -3.689 1.00 0.00 C ATOM 812 CG PHE A 71 7.167 7.724 -3.257 1.00 0.00 C ATOM 813 CD1 PHE A 71 6.671 7.326 -2.026 1.00 0.00 C ATOM 814 CD2 PHE A 71 7.762 6.775 -4.072 1.00 0.00 C ATOM 815 CE1 PHE A 71 6.762 6.010 -1.617 1.00 0.00 C ATOM 816 CE2 PHE A 71 7.856 5.455 -3.668 1.00 0.00 C ATOM 817 CZ PHE A 71 7.355 5.073 -2.438 1.00 0.00 C ATOM 0 H PHE A 71 5.978 8.560 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 71 4.957 9.157 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.712 9.321 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.435 9.801 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.207 8.055 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.157 7.069 -5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.369 5.715 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.320 4.724 -4.313 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.427 4.043 -2.120 1.00 0.00 H new ATOM 827 N SER A 72 5.927 11.796 -5.040 1.00 0.00 N ATOM 828 CA SER A 72 5.859 13.252 -5.093 1.00 0.00 C ATOM 829 C SER A 72 4.430 13.770 -4.881 1.00 0.00 C ATOM 830 O SER A 72 4.234 14.821 -4.273 1.00 0.00 O ATOM 831 CB SER A 72 6.401 13.749 -6.432 1.00 0.00 C ATOM 832 OG SER A 72 7.744 13.338 -6.622 1.00 0.00 O ATOM 0 H SER A 72 6.323 11.365 -5.876 1.00 0.00 H new ATOM 0 HA SER A 72 6.472 13.640 -4.280 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.782 13.366 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.341 14.837 -6.471 1.00 0.00 H new ATOM 0 HG SER A 72 7.769 12.374 -6.799 1.00 0.00 H new ATOM 838 N LYS A 73 3.439 13.038 -5.383 1.00 0.00 N ATOM 839 CA LYS A 73 2.045 13.430 -5.203 1.00 0.00 C ATOM 840 C LYS A 73 1.545 13.063 -3.809 1.00 0.00 C ATOM 841 O LYS A 73 0.753 13.794 -3.213 1.00 0.00 O ATOM 842 CB LYS A 73 1.165 12.792 -6.275 1.00 0.00 C ATOM 843 CG LYS A 73 1.230 13.521 -7.604 1.00 0.00 C ATOM 844 CD LYS A 73 0.245 12.950 -8.609 1.00 0.00 C ATOM 845 CE LYS A 73 -0.017 13.932 -9.738 1.00 0.00 C ATOM 846 NZ LYS A 73 -0.571 15.214 -9.225 1.00 0.00 N ATOM 0 H LYS A 73 3.574 12.177 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 73 1.985 14.513 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.471 11.756 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.132 12.774 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.019 14.579 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.241 13.453 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.636 12.018 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.692 12.709 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.910 14.125 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.714 13.492 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.161 15.656 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.149 15.029 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.210 15.855 -8.977 1.00 0.00 H new ATOM 860 N VAL A 74 2.013 11.933 -3.304 1.00 0.00 N ATOM 861 CA VAL A 74 1.722 11.507 -1.942 1.00 0.00 C ATOM 862 C VAL A 74 2.317 12.504 -0.950 1.00 0.00 C ATOM 863 O VAL A 74 1.593 13.245 -0.278 1.00 0.00 O ATOM 864 CB VAL A 74 2.309 10.102 -1.703 1.00 0.00 C ATOM 865 CG1 VAL A 74 2.119 9.667 -0.270 1.00 0.00 C ATOM 866 CG2 VAL A 74 1.676 9.103 -2.652 1.00 0.00 C ATOM 0 H VAL A 74 2.604 11.285 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 74 0.642 11.469 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 74 3.381 10.143 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.543 8.672 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.622 10.371 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.055 9.643 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.098 8.114 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.599 9.073 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.875 9.402 -3.681 1.00 0.00 H new ATOM 876 N THR A 75 3.640 12.544 -0.910 1.00 0.00 N ATOM 877 CA THR A 75 4.378 13.463 -0.068 1.00 0.00 C ATOM 878 C THR A 75 5.874 13.320 -0.342 1.00 0.00 C ATOM 879 O THR A 75 6.524 12.385 0.124 1.00 0.00 O ATOM 880 CB THR A 75 4.073 13.264 1.442 1.00 0.00 C ATOM 881 OG1 THR A 75 4.949 14.074 2.238 1.00 0.00 O ATOM 882 CG2 THR A 75 4.193 11.803 1.862 1.00 0.00 C ATOM 0 H THR A 75 4.234 11.931 -1.468 1.00 0.00 H new ATOM 0 HA THR A 75 4.055 14.474 -0.318 1.00 0.00 H new ATOM 0 HB THR A 75 3.041 13.573 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.842 13.670 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.971 11.711 2.925 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.487 11.201 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.207 11.452 1.671 1.00 0.00 H new ATOM 890 N GLY A 76 6.400 14.232 -1.151 1.00 0.00 N ATOM 891 CA GLY A 76 7.821 14.241 -1.450 1.00 0.00 C ATOM 892 C GLY A 76 8.671 14.454 -0.210 1.00 0.00 C ATOM 893 O GLY A 76 9.588 13.675 0.055 1.00 0.00 O ATOM 0 H GLY A 76 5.865 14.970 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.097 13.296 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.033 15.029 -2.172 1.00 0.00 H new ATOM 897 N PRO A 77 8.402 15.518 0.567 1.00 0.00 N ATOM 898 CA PRO A 77 9.087 15.751 1.833 1.00 0.00 C ATOM 899 C PRO A 77 8.508 14.908 2.976 1.00 0.00 C ATOM 900 O PRO A 77 7.661 14.039 2.762 1.00 0.00 O ATOM 901 CB PRO A 77 8.844 17.237 2.081 1.00 0.00 C ATOM 902 CG PRO A 77 7.529 17.515 1.444 1.00 0.00 C ATOM 903 CD PRO A 77 7.440 16.596 0.255 1.00 0.00 C ATOM 0 HA PRO A 77 10.140 15.474 1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.823 17.462 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.634 17.846 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.711 17.331 2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.457 18.558 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.430 16.206 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.703 17.111 -0.669 1.00 0.00 H new ATOM 911 N LYS A 78 8.957 15.187 4.192 1.00 0.00 N ATOM 912 CA LYS A 78 8.543 14.429 5.371 1.00 0.00 C ATOM 913 C LYS A 78 7.203 14.918 5.909 1.00 0.00 C ATOM 914 O LYS A 78 6.632 14.299 6.800 1.00 0.00 O ATOM 915 CB LYS A 78 9.613 14.482 6.467 1.00 0.00 C ATOM 916 CG LYS A 78 10.792 13.548 6.217 1.00 0.00 C ATOM 917 CD LYS A 78 11.592 13.957 4.993 1.00 0.00 C ATOM 918 CE LYS A 78 12.602 12.895 4.600 1.00 0.00 C ATOM 919 NZ LYS A 78 13.463 13.350 3.480 1.00 0.00 N ATOM 0 H LYS A 78 9.615 15.940 4.392 1.00 0.00 H new ATOM 0 HA LYS A 78 8.421 13.391 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.982 15.504 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.155 14.227 7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.443 13.544 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.426 12.529 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.914 14.140 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.110 14.895 5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.224 12.647 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.079 11.983 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.141 12.600 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.871 13.563 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.980 14.206 3.765 1.00 0.00 H new ATOM 933 N LYS A 79 6.746 16.053 5.386 1.00 0.00 N ATOM 934 CA LYS A 79 5.484 16.683 5.794 1.00 0.00 C ATOM 935 C LYS A 79 4.311 15.682 5.906 1.00 0.00 C ATOM 936 O LYS A 79 3.447 15.847 6.774 1.00 0.00 O ATOM 937 CB LYS A 79 5.166 17.825 4.812 1.00 0.00 C ATOM 938 CG LYS A 79 3.835 18.525 5.041 1.00 0.00 C ATOM 939 CD LYS A 79 2.760 17.931 4.154 1.00 0.00 C ATOM 940 CE LYS A 79 1.388 18.503 4.453 1.00 0.00 C ATOM 941 NZ LYS A 79 0.330 17.746 3.740 1.00 0.00 N ATOM 0 H LYS A 79 7.243 16.569 4.660 1.00 0.00 H new ATOM 0 HA LYS A 79 5.610 17.082 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.963 18.566 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.178 17.425 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.544 18.431 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.938 19.590 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.009 18.118 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.738 16.850 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.203 18.471 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.354 19.551 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.592 17.941 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.307 18.038 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.533 16.728 3.798 1.00 0.00 H new ATOM 955 N LYS A 80 4.281 14.668 5.030 1.00 0.00 N ATOM 956 CA LYS A 80 3.278 13.579 5.083 1.00 0.00 C ATOM 957 C LYS A 80 1.895 14.053 4.645 1.00 0.00 C ATOM 958 O LYS A 80 1.678 15.238 4.392 1.00 0.00 O ATOM 959 CB LYS A 80 3.180 12.967 6.485 1.00 0.00 C ATOM 960 CG LYS A 80 4.465 12.325 6.968 1.00 0.00 C ATOM 961 CD LYS A 80 4.337 11.842 8.401 1.00 0.00 C ATOM 962 CE LYS A 80 5.682 11.434 8.973 1.00 0.00 C ATOM 963 NZ LYS A 80 6.603 12.598 9.078 1.00 0.00 N ATOM 0 H LYS A 80 4.947 14.574 4.264 1.00 0.00 H new ATOM 0 HA LYS A 80 3.624 12.817 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.887 13.745 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.388 12.218 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.720 11.486 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.282 13.043 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.904 12.632 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.652 10.995 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.540 10.990 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.131 10.669 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.489 12.300 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.810 12.964 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.155 13.345 9.646 1.00 0.00 H new ATOM 977 N ALA A 81 0.954 13.126 4.551 1.00 0.00 N ATOM 978 CA ALA A 81 -0.401 13.480 4.158 1.00 0.00 C ATOM 979 C ALA A 81 -1.440 12.942 5.140 1.00 0.00 C ATOM 980 O ALA A 81 -1.897 13.666 6.025 1.00 0.00 O ATOM 981 CB ALA A 81 -0.691 12.998 2.746 1.00 0.00 C ATOM 0 H ALA A 81 1.101 12.134 4.739 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.473 14.567 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.709 13.272 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.010 13.461 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.582 11.914 2.702 1.00 0.00 H new ATOM 987 N THR A 82 -1.798 11.670 4.982 1.00 0.00 N ATOM 988 CA THR A 82 -2.870 11.049 5.760 1.00 0.00 C ATOM 989 C THR A 82 -3.188 9.675 5.158 1.00 0.00 C ATOM 990 O THR A 82 -2.333 9.076 4.522 1.00 0.00 O ATOM 991 CB THR A 82 -4.144 11.946 5.782 1.00 0.00 C ATOM 992 OG1 THR A 82 -5.152 11.381 6.630 1.00 0.00 O ATOM 993 CG2 THR A 82 -4.714 12.154 4.381 1.00 0.00 C ATOM 0 H THR A 82 -1.355 11.041 4.313 1.00 0.00 H new ATOM 0 HA THR A 82 -2.539 10.931 6.792 1.00 0.00 H new ATOM 0 HB THR A 82 -3.843 12.916 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.942 11.961 6.630 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.601 12.785 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.966 12.637 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.982 11.189 3.950 1.00 0.00 H new ATOM 1001 N PHE A 83 -4.403 9.176 5.344 1.00 0.00 N ATOM 1002 CA PHE A 83 -4.803 7.907 4.741 1.00 0.00 C ATOM 1003 C PHE A 83 -4.686 7.978 3.214 1.00 0.00 C ATOM 1004 O PHE A 83 -4.363 6.987 2.557 1.00 0.00 O ATOM 1005 CB PHE A 83 -6.234 7.528 5.160 1.00 0.00 C ATOM 1006 CG PHE A 83 -7.288 8.529 4.758 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -7.560 9.625 5.558 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -8.005 8.370 3.582 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -8.528 10.543 5.196 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -8.973 9.284 3.216 1.00 0.00 C ATOM 1011 CZ PHE A 83 -9.233 10.373 4.021 1.00 0.00 C ATOM 0 H PHE A 83 -5.127 9.626 5.904 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.129 7.130 5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -6.483 6.561 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.262 7.405 6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.009 9.765 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -7.804 7.521 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.733 11.392 5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -9.527 9.146 2.299 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.986 11.091 3.733 1.00 0.00 H new ATOM 1021 N ASP A 84 -4.935 9.170 2.663 1.00 0.00 N ATOM 1022 CA ASP A 84 -4.844 9.401 1.217 1.00 0.00 C ATOM 1023 C ASP A 84 -3.422 9.155 0.710 1.00 0.00 C ATOM 1024 O ASP A 84 -3.218 8.672 -0.402 1.00 0.00 O ATOM 1025 CB ASP A 84 -5.291 10.824 0.878 1.00 0.00 C ATOM 1026 CG ASP A 84 -5.120 11.154 -0.591 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -5.896 10.637 -1.422 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -4.202 11.933 -0.921 1.00 0.00 O ATOM 0 H ASP A 84 -5.203 9.995 3.200 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.508 8.695 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.338 10.948 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.717 11.533 1.475 1.00 0.00 H new ATOM 1033 N GLU A 85 -2.460 9.479 1.556 1.00 0.00 N ATOM 1034 CA GLU A 85 -1.046 9.209 1.314 1.00 0.00 C ATOM 1035 C GLU A 85 -0.832 7.735 0.953 1.00 0.00 C ATOM 1036 O GLU A 85 -0.292 7.411 -0.109 1.00 0.00 O ATOM 1037 CB GLU A 85 -0.299 9.582 2.601 1.00 0.00 C ATOM 1038 CG GLU A 85 1.126 9.086 2.738 1.00 0.00 C ATOM 1039 CD GLU A 85 1.698 9.445 4.095 1.00 0.00 C ATOM 1040 OE1 GLU A 85 1.978 10.639 4.323 1.00 0.00 O ATOM 1041 OE2 GLU A 85 1.827 8.543 4.944 1.00 0.00 O ATOM 0 H GLU A 85 -2.638 9.945 2.446 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.672 9.793 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.289 10.669 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.872 9.203 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.153 8.005 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.744 9.521 1.952 1.00 0.00 H new ATOM 1048 N THR A 86 -1.311 6.853 1.822 1.00 0.00 N ATOM 1049 CA THR A 86 -1.111 5.423 1.659 1.00 0.00 C ATOM 1050 C THR A 86 -1.826 4.887 0.417 1.00 0.00 C ATOM 1051 O THR A 86 -1.222 4.180 -0.397 1.00 0.00 O ATOM 1052 CB THR A 86 -1.608 4.671 2.905 1.00 0.00 C ATOM 1053 OG1 THR A 86 -1.200 5.376 4.088 1.00 0.00 O ATOM 1054 CG2 THR A 86 -1.054 3.253 2.943 1.00 0.00 C ATOM 0 H THR A 86 -1.845 7.109 2.653 1.00 0.00 H new ATOM 0 HA THR A 86 -0.041 5.256 1.531 1.00 0.00 H new ATOM 0 HB THR A 86 -2.696 4.616 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.519 4.896 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.421 2.743 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.379 2.711 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.035 3.288 2.968 1.00 0.00 H new ATOM 1062 N LYS A 87 -3.105 5.233 0.266 1.00 0.00 N ATOM 1063 CA LYS A 87 -3.892 4.754 -0.871 1.00 0.00 C ATOM 1064 C LYS A 87 -3.320 5.246 -2.197 1.00 0.00 C ATOM 1065 O LYS A 87 -3.352 4.523 -3.193 1.00 0.00 O ATOM 1066 CB LYS A 87 -5.360 5.182 -0.756 1.00 0.00 C ATOM 1067 CG LYS A 87 -5.537 6.615 -0.293 1.00 0.00 C ATOM 1068 CD LYS A 87 -6.827 7.238 -0.793 1.00 0.00 C ATOM 1069 CE LYS A 87 -6.762 7.528 -2.282 1.00 0.00 C ATOM 1070 NZ LYS A 87 -7.444 8.803 -2.628 1.00 0.00 N ATOM 0 H LYS A 87 -3.614 5.838 0.910 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.840 3.665 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.843 5.059 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.871 4.517 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.523 6.645 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.693 7.211 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.661 6.566 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.021 8.162 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.720 7.576 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.224 6.708 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.208 9.069 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.473 8.681 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.129 9.552 -1.979 1.00 0.00 H new ATOM 1084 N LYS A 88 -2.799 6.473 -2.208 1.00 0.00 N ATOM 1085 CA LYS A 88 -2.218 7.039 -3.418 1.00 0.00 C ATOM 1086 C LYS A 88 -1.069 6.181 -3.929 1.00 0.00 C ATOM 1087 O LYS A 88 -1.046 5.814 -5.104 1.00 0.00 O ATOM 1088 CB LYS A 88 -1.728 8.470 -3.182 1.00 0.00 C ATOM 1089 CG LYS A 88 -2.720 9.540 -3.608 1.00 0.00 C ATOM 1090 CD LYS A 88 -2.148 10.936 -3.402 1.00 0.00 C ATOM 1091 CE LYS A 88 -3.011 12.007 -4.054 1.00 0.00 C ATOM 1092 NZ LYS A 88 -4.408 11.998 -3.547 1.00 0.00 N ATOM 0 H LYS A 88 -2.769 7.089 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.004 7.059 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.505 8.597 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.794 8.618 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.979 9.402 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.641 9.434 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.063 11.139 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.141 10.980 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.568 12.986 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.019 11.856 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.012 12.556 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.757 11.019 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.434 12.413 -2.594 1.00 0.00 H new ATOM 1106 N VAL A 89 -0.128 5.848 -3.045 1.00 0.00 N ATOM 1107 CA VAL A 89 1.041 5.068 -3.452 1.00 0.00 C ATOM 1108 C VAL A 89 0.624 3.729 -4.048 1.00 0.00 C ATOM 1109 O VAL A 89 1.071 3.361 -5.135 1.00 0.00 O ATOM 1110 CB VAL A 89 2.016 4.793 -2.289 1.00 0.00 C ATOM 1111 CG1 VAL A 89 3.354 4.319 -2.827 1.00 0.00 C ATOM 1112 CG2 VAL A 89 2.196 6.015 -1.417 1.00 0.00 C ATOM 0 H VAL A 89 -0.150 6.101 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 89 1.553 5.677 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 89 1.586 4.006 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.033 4.128 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.212 3.401 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.779 5.087 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.889 5.786 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.595 6.834 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.233 6.308 -0.998 1.00 0.00 H new ATOM 1122 N LEU A 90 -0.248 3.019 -3.337 1.00 0.00 N ATOM 1123 CA LEU A 90 -0.707 1.702 -3.767 1.00 0.00 C ATOM 1124 C LEU A 90 -1.452 1.777 -5.097 1.00 0.00 C ATOM 1125 O LEU A 90 -1.348 0.872 -5.926 1.00 0.00 O ATOM 1126 CB LEU A 90 -1.601 1.063 -2.695 1.00 0.00 C ATOM 1127 CG LEU A 90 -0.870 0.235 -1.629 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -0.093 -0.900 -2.278 1.00 0.00 C ATOM 1129 CD2 LEU A 90 0.054 1.106 -0.788 1.00 0.00 C ATOM 0 H LEU A 90 -0.652 3.336 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 90 0.175 1.077 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.160 1.854 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.330 0.422 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.620 -0.192 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.419 -1.477 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.781 -1.549 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.640 -0.489 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.557 0.489 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.798 1.575 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.530 1.878 -0.286 1.00 0.00 H new ATOM 1141 N ALA A 91 -2.184 2.859 -5.305 1.00 0.00 N ATOM 1142 CA ALA A 91 -2.939 3.029 -6.532 1.00 0.00 C ATOM 1143 C ALA A 91 -2.016 3.280 -7.719 1.00 0.00 C ATOM 1144 O ALA A 91 -2.153 2.644 -8.759 1.00 0.00 O ATOM 1145 CB ALA A 91 -3.944 4.161 -6.395 1.00 0.00 C ATOM 0 H ALA A 91 -2.270 3.629 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.483 2.102 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.498 4.270 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.637 3.936 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.418 5.090 -6.175 1.00 0.00 H new ATOM 1151 N PHE A 92 -1.064 4.196 -7.558 1.00 0.00 N ATOM 1152 CA PHE A 92 -0.164 4.565 -8.650 1.00 0.00 C ATOM 1153 C PHE A 92 0.689 3.386 -9.114 1.00 0.00 C ATOM 1154 O PHE A 92 0.821 3.150 -10.316 1.00 0.00 O ATOM 1155 CB PHE A 92 0.736 5.736 -8.249 1.00 0.00 C ATOM 1156 CG PHE A 92 0.031 7.065 -8.222 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -0.578 7.561 -9.363 1.00 0.00 C ATOM 1158 CD2 PHE A 92 -0.011 7.822 -7.062 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -1.219 8.787 -9.345 1.00 0.00 C ATOM 1160 CE2 PHE A 92 -0.651 9.046 -7.038 1.00 0.00 C ATOM 1161 CZ PHE A 92 -1.254 9.530 -8.181 1.00 0.00 C ATOM 0 H PHE A 92 -0.895 4.696 -6.685 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.793 4.872 -9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.155 5.538 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.573 5.794 -8.945 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.552 6.985 -10.276 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.463 7.450 -6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.692 9.163 -10.240 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.679 9.623 -6.126 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.752 10.488 -8.166 1.00 0.00 H new ATOM 1171 N VAL A 93 1.257 2.641 -8.170 1.00 0.00 N ATOM 1172 CA VAL A 93 2.111 1.514 -8.517 1.00 0.00 C ATOM 1173 C VAL A 93 1.319 0.422 -9.235 1.00 0.00 C ATOM 1174 O VAL A 93 1.763 -0.112 -10.253 1.00 0.00 O ATOM 1175 CB VAL A 93 2.831 0.926 -7.282 1.00 0.00 C ATOM 1176 CG1 VAL A 93 3.824 1.931 -6.718 1.00 0.00 C ATOM 1177 CG2 VAL A 93 1.846 0.489 -6.207 1.00 0.00 C ATOM 0 H VAL A 93 1.142 2.797 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 93 2.874 1.897 -9.195 1.00 0.00 H new ATOM 0 HB VAL A 93 3.373 0.039 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.322 1.502 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.566 2.175 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.296 2.838 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.393 0.082 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.257 1.347 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.182 -0.275 -6.611 1.00 0.00 H new ATOM 1187 N ALA A 94 0.143 0.103 -8.712 1.00 0.00 N ATOM 1188 CA ALA A 94 -0.725 -0.878 -9.341 1.00 0.00 C ATOM 1189 C ALA A 94 -1.170 -0.399 -10.718 1.00 0.00 C ATOM 1190 O ALA A 94 -1.229 -1.180 -11.667 1.00 0.00 O ATOM 1191 CB ALA A 94 -1.930 -1.158 -8.464 1.00 0.00 C ATOM 0 H ALA A 94 -0.230 0.510 -7.854 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.162 -1.803 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.570 -1.895 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.597 -1.545 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.490 -0.236 -8.310 1.00 0.00 H new ATOM 1197 N GLU A 95 -1.476 0.893 -10.813 1.00 0.00 N ATOM 1198 CA GLU A 95 -1.949 1.481 -12.056 1.00 0.00 C ATOM 1199 C GLU A 95 -0.917 1.323 -13.163 1.00 0.00 C ATOM 1200 O GLU A 95 -1.219 0.762 -14.208 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.288 2.964 -11.866 1.00 0.00 C ATOM 1202 CG GLU A 95 -2.955 3.589 -13.081 1.00 0.00 C ATOM 1203 CD GLU A 95 -3.327 5.041 -12.867 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -4.283 5.310 -12.108 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -2.686 5.919 -13.478 1.00 0.00 O ATOM 0 H GLU A 95 -1.403 1.552 -10.038 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.855 0.949 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.946 3.072 -11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.374 3.512 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.284 3.513 -13.937 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.852 3.022 -13.329 1.00 0.00 H new ATOM 1212 N ASP A 96 0.303 1.796 -12.922 1.00 0.00 N ATOM 1213 CA ASP A 96 1.353 1.759 -13.941 1.00 0.00 C ATOM 1214 C ASP A 96 1.570 0.344 -14.461 1.00 0.00 C ATOM 1215 O ASP A 96 1.577 0.111 -15.672 1.00 0.00 O ATOM 1216 CB ASP A 96 2.670 2.311 -13.389 1.00 0.00 C ATOM 1217 CG ASP A 96 3.784 2.267 -14.420 1.00 0.00 C ATOM 1218 OD1 ASP A 96 3.790 3.123 -15.328 1.00 0.00 O ATOM 1219 OD2 ASP A 96 4.651 1.374 -14.330 1.00 0.00 O ATOM 0 H ASP A 96 0.590 2.208 -12.034 1.00 0.00 H new ATOM 0 HA ASP A 96 1.023 2.387 -14.768 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.522 3.339 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.965 1.735 -12.512 1.00 0.00 H new ATOM 1224 N ARG A 97 1.714 -0.598 -13.539 1.00 0.00 N ATOM 1225 CA ARG A 97 1.963 -1.992 -13.890 1.00 0.00 C ATOM 1226 C ARG A 97 0.793 -2.567 -14.689 1.00 0.00 C ATOM 1227 O ARG A 97 0.988 -3.205 -15.727 1.00 0.00 O ATOM 1228 CB ARG A 97 2.198 -2.813 -12.608 1.00 0.00 C ATOM 1229 CG ARG A 97 2.677 -4.251 -12.825 1.00 0.00 C ATOM 1230 CD ARG A 97 1.550 -5.174 -13.271 1.00 0.00 C ATOM 1231 NE ARG A 97 1.971 -6.569 -13.359 1.00 0.00 N ATOM 1232 CZ ARG A 97 1.709 -7.360 -14.400 1.00 0.00 C ATOM 1233 NH1 ARG A 97 1.063 -6.889 -15.458 1.00 0.00 N ATOM 1234 NH2 ARG A 97 2.099 -8.626 -14.392 1.00 0.00 N ATOM 0 H ARG A 97 1.662 -0.422 -12.536 1.00 0.00 H new ATOM 0 HA ARG A 97 2.854 -2.045 -14.516 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.933 -2.293 -11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.269 -2.840 -12.039 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.468 -4.259 -13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.110 -4.631 -11.900 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.719 -5.092 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.181 -4.847 -14.243 1.00 0.00 H new ATOM 0 HE ARG A 97 2.497 -6.962 -12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.762 -5.915 -15.480 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.867 -7.501 -16.250 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.602 -9.000 -13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.896 -9.227 -15.191 1.00 0.00 H new ATOM 1248 N ALA A 98 -0.419 -2.345 -14.204 1.00 0.00 N ATOM 1249 CA ALA A 98 -1.602 -2.936 -14.815 1.00 0.00 C ATOM 1250 C ALA A 98 -1.975 -2.241 -16.120 1.00 0.00 C ATOM 1251 O ALA A 98 -2.319 -2.899 -17.101 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.765 -2.894 -13.841 1.00 0.00 C ATOM 0 H ALA A 98 -0.610 -1.761 -13.390 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.370 -3.974 -15.055 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.645 -3.338 -14.306 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.508 -3.455 -12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.979 -1.859 -13.574 1.00 0.00 H new ATOM 1258 N ARG A 99 -1.883 -0.919 -16.127 1.00 0.00 N ATOM 1259 CA ARG A 99 -2.304 -0.111 -17.267 1.00 0.00 C ATOM 1260 C ARG A 99 -1.436 -0.354 -18.499 1.00 0.00 C ATOM 1261 O ARG A 99 -1.955 -0.588 -19.589 1.00 0.00 O ATOM 1262 CB ARG A 99 -2.279 1.374 -16.894 1.00 0.00 C ATOM 1263 CG ARG A 99 -2.484 2.307 -18.071 1.00 0.00 C ATOM 1264 CD ARG A 99 -2.211 3.753 -17.693 1.00 0.00 C ATOM 1265 NE ARG A 99 -2.222 4.619 -18.866 1.00 0.00 N ATOM 1266 CZ ARG A 99 -1.325 5.575 -19.097 1.00 0.00 C ATOM 1267 NH1 ARG A 99 -0.412 5.880 -18.181 1.00 0.00 N ATOM 1268 NH2 ARG A 99 -1.367 6.249 -20.235 1.00 0.00 N ATOM 0 H ARG A 99 -1.516 -0.376 -15.346 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.321 -0.410 -17.520 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -3.054 1.565 -16.152 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.323 1.604 -16.423 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.825 2.013 -18.888 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.506 2.213 -18.437 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.963 4.093 -16.981 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.244 3.824 -17.195 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.964 4.484 -19.553 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.395 5.380 -17.292 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.271 6.614 -18.367 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.084 6.035 -20.929 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.683 6.983 -20.419 1.00 0.00 H new ATOM 1282 N GLN A 100 -0.118 -0.306 -18.334 1.00 0.00 N ATOM 1283 CA GLN A 100 0.784 -0.412 -19.479 1.00 0.00 C ATOM 1284 C GLN A 100 0.843 -1.846 -20.004 1.00 0.00 C ATOM 1285 O GLN A 100 1.244 -2.085 -21.143 1.00 0.00 O ATOM 1286 CB GLN A 100 2.194 0.075 -19.123 1.00 0.00 C ATOM 1287 CG GLN A 100 2.983 -0.883 -18.246 1.00 0.00 C ATOM 1288 CD GLN A 100 4.416 -0.436 -18.044 1.00 0.00 C ATOM 1289 OE1 GLN A 100 5.302 -0.779 -18.826 1.00 0.00 O ATOM 1290 NE2 GLN A 100 4.656 0.334 -17.000 1.00 0.00 N ATOM 0 H GLN A 100 0.346 -0.196 -17.432 1.00 0.00 H new ATOM 0 HA GLN A 100 0.385 0.229 -20.265 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.750 0.247 -20.045 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.116 1.035 -18.614 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.493 -0.971 -17.276 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.975 -1.875 -18.698 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.894 0.597 -16.374 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.603 0.666 -16.818 1.00 0.00 H new ATOM 1299 N SER A 101 0.444 -2.796 -19.172 1.00 0.00 N ATOM 1300 CA SER A 101 0.452 -4.194 -19.564 1.00 0.00 C ATOM 1301 C SER A 101 -0.906 -4.587 -20.138 1.00 0.00 C ATOM 1302 O SER A 101 -1.005 -5.014 -21.286 1.00 0.00 O ATOM 1303 CB SER A 101 0.810 -5.077 -18.365 1.00 0.00 C ATOM 1304 OG SER A 101 1.020 -6.426 -18.751 1.00 0.00 O ATOM 0 H SER A 101 0.112 -2.623 -18.223 1.00 0.00 H new ATOM 0 HA SER A 101 1.207 -4.341 -20.336 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.710 -4.692 -17.885 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.010 -5.030 -17.627 1.00 0.00 H new ATOM 0 HG SER A 101 1.544 -6.886 -18.062 1.00 0.00 H new ATOM 1310 N LYS A 102 -1.950 -4.440 -19.334 1.00 0.00 N ATOM 1311 CA LYS A 102 -3.295 -4.765 -19.777 1.00 0.00 C ATOM 1312 C LYS A 102 -4.039 -3.488 -20.156 1.00 0.00 C ATOM 1313 O LYS A 102 -4.149 -3.173 -21.338 1.00 0.00 O ATOM 1314 CB LYS A 102 -4.046 -5.526 -18.678 1.00 0.00 C ATOM 1315 CG LYS A 102 -5.450 -5.959 -19.065 1.00 0.00 C ATOM 1316 CD LYS A 102 -6.160 -6.620 -17.894 1.00 0.00 C ATOM 1317 CE LYS A 102 -7.626 -6.869 -18.202 1.00 0.00 C ATOM 1318 NZ LYS A 102 -8.362 -7.376 -17.014 1.00 0.00 N ATOM 0 H LYS A 102 -1.890 -4.099 -18.375 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.236 -5.407 -20.656 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.469 -6.409 -18.404 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.104 -4.896 -17.791 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.022 -5.093 -19.400 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.402 -6.653 -19.904 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.671 -7.565 -17.657 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.075 -5.987 -17.011 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.087 -5.944 -18.547 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.709 -7.590 -19.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.290 -7.740 -17.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.816 -8.141 -16.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.495 -6.602 -16.332 1.00 0.00 H new ATOM 1332 N LYS A 103 -4.494 -2.748 -19.134 1.00 0.00 N ATOM 1333 CA LYS A 103 -5.205 -1.465 -19.291 1.00 0.00 C ATOM 1334 C LYS A 103 -5.861 -1.045 -17.968 1.00 0.00 C ATOM 1335 O LYS A 103 -5.566 0.031 -17.452 1.00 0.00 O ATOM 1336 CB LYS A 103 -6.259 -1.497 -20.413 1.00 0.00 C ATOM 1337 CG LYS A 103 -5.806 -0.806 -21.690 1.00 0.00 C ATOM 1338 CD LYS A 103 -6.717 -1.134 -22.857 1.00 0.00 C ATOM 1339 CE LYS A 103 -6.183 -0.547 -24.152 1.00 0.00 C ATOM 1340 NZ LYS A 103 -6.970 -0.989 -25.333 1.00 0.00 N ATOM 0 H LYS A 103 -4.378 -3.026 -18.160 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.454 -0.729 -19.577 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.507 -2.534 -20.639 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.173 -1.021 -20.056 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.788 0.273 -21.534 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.787 -1.111 -21.927 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.810 -2.215 -22.956 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.716 -0.744 -22.663 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.202 0.541 -24.091 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.141 -0.841 -24.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.571 -0.565 -26.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.932 -2.026 -25.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.959 -0.686 -25.224 1.00 0.00 H new ATOM 1354 N PRO A 104 -6.763 -1.880 -17.393 1.00 0.00 N ATOM 1355 CA PRO A 104 -7.413 -1.578 -16.110 1.00 0.00 C ATOM 1356 C PRO A 104 -6.455 -1.679 -14.929 1.00 0.00 C ATOM 1357 O PRO A 104 -5.485 -2.431 -14.970 1.00 0.00 O ATOM 1358 CB PRO A 104 -8.505 -2.650 -15.982 1.00 0.00 C ATOM 1359 CG PRO A 104 -8.613 -3.272 -17.331 1.00 0.00 C ATOM 1360 CD PRO A 104 -7.249 -3.156 -17.938 1.00 0.00 C ATOM 0 HA PRO A 104 -7.792 -0.556 -16.094 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.240 -3.391 -15.228 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.454 -2.209 -15.676 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.922 -4.315 -17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.358 -2.760 -17.940 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.606 -3.989 -17.653 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.290 -3.142 -19.027 1.00 0.00 H new ATOM 1368 N ILE A 105 -6.743 -0.918 -13.882 1.00 0.00 N ATOM 1369 CA ILE A 105 -5.926 -0.913 -12.671 1.00 0.00 C ATOM 1370 C ILE A 105 -6.427 -1.943 -11.652 1.00 0.00 C ATOM 1371 O ILE A 105 -5.632 -2.601 -10.975 1.00 0.00 O ATOM 1372 CB ILE A 105 -5.887 0.493 -12.019 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -5.164 0.441 -10.668 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -7.291 1.058 -11.862 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -5.120 1.769 -9.943 1.00 0.00 C ATOM 0 H ILE A 105 -7.545 -0.289 -13.845 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.914 -1.185 -12.972 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.330 1.159 -12.678 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.658 -0.293 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.144 0.091 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.237 2.045 -11.402 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.762 1.139 -12.842 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.881 0.395 -11.229 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.593 1.650 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.599 2.503 -10.559 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.136 2.113 -9.751 1.00 0.00 H new ATOM 1387 N GLN A 106 -7.753 -2.064 -11.548 1.00 0.00 N ATOM 1388 CA GLN A 106 -8.405 -2.886 -10.521 1.00 0.00 C ATOM 1389 C GLN A 106 -7.818 -4.299 -10.450 1.00 0.00 C ATOM 1390 O GLN A 106 -7.692 -4.865 -9.363 1.00 0.00 O ATOM 1391 CB GLN A 106 -9.911 -2.956 -10.802 1.00 0.00 C ATOM 1392 CG GLN A 106 -10.795 -2.841 -9.564 1.00 0.00 C ATOM 1393 CD GLN A 106 -10.718 -4.048 -8.645 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -11.461 -5.016 -8.811 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -9.847 -3.990 -7.649 1.00 0.00 N ATOM 0 H GLN A 106 -8.407 -1.595 -12.174 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.226 -2.414 -9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.175 -2.158 -11.496 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.130 -3.899 -11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.508 -1.951 -9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.829 -2.700 -9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.247 -3.172 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.776 -4.764 -6.988 1.00 0.00 H new ATOM 1404 N ASP A 107 -7.437 -4.848 -11.603 1.00 0.00 N ATOM 1405 CA ASP A 107 -6.881 -6.200 -11.673 1.00 0.00 C ATOM 1406 C ASP A 107 -5.725 -6.384 -10.694 1.00 0.00 C ATOM 1407 O ASP A 107 -5.712 -7.331 -9.908 1.00 0.00 O ATOM 1408 CB ASP A 107 -6.391 -6.518 -13.090 1.00 0.00 C ATOM 1409 CG ASP A 107 -7.516 -6.719 -14.083 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -8.156 -7.790 -14.058 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -7.751 -5.821 -14.913 1.00 0.00 O ATOM 0 H ASP A 107 -7.503 -4.376 -12.505 1.00 0.00 H new ATOM 0 HA ASP A 107 -7.684 -6.886 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -5.751 -5.706 -13.436 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.777 -7.418 -13.061 1.00 0.00 H new ATOM 1416 N GLU A 108 -4.767 -5.467 -10.729 1.00 0.00 N ATOM 1417 CA GLU A 108 -3.574 -5.594 -9.902 1.00 0.00 C ATOM 1418 C GLU A 108 -3.860 -5.303 -8.435 1.00 0.00 C ATOM 1419 O GLU A 108 -3.288 -5.947 -7.558 1.00 0.00 O ATOM 1420 CB GLU A 108 -2.450 -4.694 -10.409 1.00 0.00 C ATOM 1421 CG GLU A 108 -1.691 -5.284 -11.586 1.00 0.00 C ATOM 1422 CD GLU A 108 -1.092 -6.643 -11.273 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -0.057 -6.700 -10.573 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -1.645 -7.659 -11.737 1.00 0.00 O ATOM 0 H GLU A 108 -4.792 -4.633 -11.316 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.251 -6.632 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.869 -3.731 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.752 -4.503 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.364 -5.376 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.895 -4.600 -11.880 1.00 0.00 H new ATOM 1431 N LEU A 109 -4.749 -4.355 -8.155 1.00 0.00 N ATOM 1432 CA LEU A 109 -5.082 -4.048 -6.769 1.00 0.00 C ATOM 1433 C LEU A 109 -5.731 -5.257 -6.117 1.00 0.00 C ATOM 1434 O LEU A 109 -5.387 -5.633 -4.996 1.00 0.00 O ATOM 1435 CB LEU A 109 -6.027 -2.854 -6.644 1.00 0.00 C ATOM 1436 CG LEU A 109 -6.402 -2.527 -5.195 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -5.221 -1.919 -4.457 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -7.610 -1.615 -5.128 1.00 0.00 C ATOM 0 H LEU A 109 -5.242 -3.797 -8.852 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.149 -3.791 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.559 -1.980 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.936 -3.058 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 109 -6.668 -3.462 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.510 -1.695 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.391 -2.625 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.914 -1.000 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.849 -1.403 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.391 -0.682 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.461 -2.103 -5.603 1.00 0.00 H new ATOM 1450 N ASP A 110 -6.669 -5.865 -6.832 1.00 0.00 N ATOM 1451 CA ASP A 110 -7.341 -7.057 -6.340 1.00 0.00 C ATOM 1452 C ASP A 110 -6.331 -8.179 -6.138 1.00 0.00 C ATOM 1453 O ASP A 110 -6.439 -8.956 -5.195 1.00 0.00 O ATOM 1454 CB ASP A 110 -8.440 -7.494 -7.307 1.00 0.00 C ATOM 1455 CG ASP A 110 -9.172 -8.734 -6.832 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -10.040 -8.613 -5.940 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -8.899 -9.829 -7.362 1.00 0.00 O ATOM 0 H ASP A 110 -6.980 -5.552 -7.752 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.805 -6.825 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -9.154 -6.680 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.002 -7.687 -8.286 1.00 0.00 H new ATOM 1462 N ALA A 111 -5.333 -8.226 -7.013 1.00 0.00 N ATOM 1463 CA ALA A 111 -4.248 -9.186 -6.884 1.00 0.00 C ATOM 1464 C ALA A 111 -3.460 -8.936 -5.602 1.00 0.00 C ATOM 1465 O ALA A 111 -3.191 -9.863 -4.849 1.00 0.00 O ATOM 1466 CB ALA A 111 -3.335 -9.119 -8.099 1.00 0.00 C ATOM 0 H ALA A 111 -5.255 -7.608 -7.821 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.676 -10.187 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.528 -9.843 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.908 -9.349 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -2.914 -8.117 -8.183 1.00 0.00 H new ATOM 1472 N ILE A 112 -3.104 -7.676 -5.359 1.00 0.00 N ATOM 1473 CA ILE A 112 -2.401 -7.286 -4.134 1.00 0.00 C ATOM 1474 C ILE A 112 -3.214 -7.679 -2.902 1.00 0.00 C ATOM 1475 O ILE A 112 -2.703 -8.303 -1.967 1.00 0.00 O ATOM 1476 CB ILE A 112 -2.144 -5.762 -4.095 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -1.314 -5.328 -5.305 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -1.447 -5.362 -2.800 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -1.217 -3.826 -5.461 1.00 0.00 C ATOM 0 H ILE A 112 -3.291 -6.902 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.445 -7.809 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.107 -5.254 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.310 -5.742 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.753 -5.752 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.277 -4.285 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.074 -5.634 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.491 -5.881 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.615 -3.589 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.216 -3.408 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -0.750 -3.397 -4.574 1.00 0.00 H new ATOM 1491 N THR A 113 -4.485 -7.314 -2.929 1.00 0.00 N ATOM 1492 CA THR A 113 -5.414 -7.625 -1.853 1.00 0.00 C ATOM 1493 C THR A 113 -5.509 -9.144 -1.654 1.00 0.00 C ATOM 1494 O THR A 113 -5.515 -9.642 -0.526 1.00 0.00 O ATOM 1495 CB THR A 113 -6.806 -7.032 -2.171 1.00 0.00 C ATOM 1496 OG1 THR A 113 -6.662 -5.690 -2.663 1.00 0.00 O ATOM 1497 CG2 THR A 113 -7.698 -7.003 -0.942 1.00 0.00 C ATOM 0 H THR A 113 -4.904 -6.792 -3.699 1.00 0.00 H new ATOM 0 HA THR A 113 -5.047 -7.180 -0.928 1.00 0.00 H new ATOM 0 HB THR A 113 -7.269 -7.670 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.412 -5.714 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.667 -6.580 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.835 -8.018 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.233 -6.391 -0.169 1.00 0.00 H new ATOM 1505 N GLU A 114 -5.557 -9.868 -2.767 1.00 0.00 N ATOM 1506 CA GLU A 114 -5.585 -11.325 -2.759 1.00 0.00 C ATOM 1507 C GLU A 114 -4.313 -11.901 -2.136 1.00 0.00 C ATOM 1508 O GLU A 114 -4.374 -12.870 -1.377 1.00 0.00 O ATOM 1509 CB GLU A 114 -5.735 -11.843 -4.187 1.00 0.00 C ATOM 1510 CG GLU A 114 -5.815 -13.355 -4.298 1.00 0.00 C ATOM 1511 CD GLU A 114 -5.721 -13.829 -5.730 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -6.710 -13.685 -6.474 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -4.647 -14.334 -6.125 1.00 0.00 O ATOM 0 H GLU A 114 -5.578 -9.460 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.435 -11.645 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.634 -11.410 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.890 -11.491 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.010 -13.803 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.753 -13.700 -3.864 1.00 0.00 H new ATOM 1520 N LYS A 115 -3.165 -11.304 -2.470 1.00 0.00 N ATOM 1521 CA LYS A 115 -1.873 -11.770 -1.967 1.00 0.00 C ATOM 1522 C LYS A 115 -1.896 -11.870 -0.450 1.00 0.00 C ATOM 1523 O LYS A 115 -1.567 -12.909 0.108 1.00 0.00 O ATOM 1524 CB LYS A 115 -0.731 -10.834 -2.382 1.00 0.00 C ATOM 1525 CG LYS A 115 -0.546 -10.685 -3.882 1.00 0.00 C ATOM 1526 CD LYS A 115 0.622 -9.765 -4.198 1.00 0.00 C ATOM 1527 CE LYS A 115 0.585 -9.272 -5.636 1.00 0.00 C ATOM 1528 NZ LYS A 115 0.722 -10.374 -6.625 1.00 0.00 N ATOM 0 H LYS A 115 -3.106 -10.495 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 115 -1.698 -12.753 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.913 -9.849 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.199 -11.204 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.374 -11.664 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.458 -10.287 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.604 -8.911 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.558 -10.293 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.354 -8.747 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 115 1.387 -8.550 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 0.690 -9.982 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 1.629 -10.861 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.058 -11.051 -6.501 1.00 0.00 H new ATOM 1542 N LEU A 116 -2.305 -10.787 0.204 1.00 0.00 N ATOM 1543 CA LEU A 116 -2.336 -10.735 1.665 1.00 0.00 C ATOM 1544 C LEU A 116 -3.241 -11.816 2.244 1.00 0.00 C ATOM 1545 O LEU A 116 -2.908 -12.440 3.252 1.00 0.00 O ATOM 1546 CB LEU A 116 -2.806 -9.363 2.134 1.00 0.00 C ATOM 1547 CG LEU A 116 -1.848 -8.209 1.828 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -2.443 -6.883 2.276 1.00 0.00 C ATOM 1549 CD2 LEU A 116 -0.506 -8.445 2.503 1.00 0.00 C ATOM 0 H LEU A 116 -2.620 -9.932 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.322 -10.914 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.769 -9.148 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.972 -9.401 3.211 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.693 -8.166 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.746 -6.076 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.382 -6.710 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.628 -6.911 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.166 -7.617 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.648 -8.513 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.072 -9.375 2.135 1.00 0.00 H new ATOM 1561 N ALA A 117 -4.383 -12.038 1.600 1.00 0.00 N ATOM 1562 CA ALA A 117 -5.306 -13.083 2.022 1.00 0.00 C ATOM 1563 C ALA A 117 -4.639 -14.451 1.912 1.00 0.00 C ATOM 1564 O ALA A 117 -4.802 -15.313 2.776 1.00 0.00 O ATOM 1565 CB ALA A 117 -6.579 -13.039 1.186 1.00 0.00 C ATOM 0 H ALA A 117 -4.690 -11.508 0.785 1.00 0.00 H new ATOM 0 HA ALA A 117 -5.575 -12.911 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.257 -13.826 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.062 -12.069 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.330 -13.190 0.136 1.00 0.00 H new ATOM 1571 N LYS A 118 -3.867 -14.625 0.851 1.00 0.00 N ATOM 1572 CA LYS A 118 -3.134 -15.859 0.624 1.00 0.00 C ATOM 1573 C LYS A 118 -1.909 -15.950 1.527 1.00 0.00 C ATOM 1574 O LYS A 118 -1.332 -17.022 1.689 1.00 0.00 O ATOM 1575 CB LYS A 118 -2.728 -15.978 -0.845 1.00 0.00 C ATOM 1576 CG LYS A 118 -3.893 -16.289 -1.766 1.00 0.00 C ATOM 1577 CD LYS A 118 -3.458 -16.331 -3.218 1.00 0.00 C ATOM 1578 CE LYS A 118 -4.559 -16.878 -4.107 1.00 0.00 C ATOM 1579 NZ LYS A 118 -4.169 -16.872 -5.539 1.00 0.00 N ATOM 0 H LYS A 118 -3.732 -13.919 0.127 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.794 -16.690 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.262 -15.045 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.976 -16.761 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.332 -17.248 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.670 -15.535 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.186 -15.328 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.567 -16.951 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.801 -17.896 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.462 -16.282 -3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.633 -17.663 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.463 -15.975 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.137 -16.974 -5.618 1.00 0.00 H new ATOM 1593 N LEU A 119 -1.513 -14.825 2.115 1.00 0.00 N ATOM 1594 CA LEU A 119 -0.372 -14.793 3.028 1.00 0.00 C ATOM 1595 C LEU A 119 -0.765 -15.294 4.424 1.00 0.00 C ATOM 1596 O LEU A 119 -0.214 -14.843 5.433 1.00 0.00 O ATOM 1597 CB LEU A 119 0.212 -13.377 3.102 1.00 0.00 C ATOM 1598 CG LEU A 119 0.833 -12.862 1.800 1.00 0.00 C ATOM 1599 CD1 LEU A 119 1.373 -11.453 1.980 1.00 0.00 C ATOM 1600 CD2 LEU A 119 1.935 -13.795 1.320 1.00 0.00 C ATOM 0 H LEU A 119 -1.965 -13.921 1.976 1.00 0.00 H new ATOM 0 HA LEU A 119 0.394 -15.464 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.578 -12.690 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.972 -13.354 3.883 1.00 0.00 H new ATOM 0 HG LEU A 119 0.050 -12.836 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.809 -11.108 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.561 -10.786 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.137 -11.453 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.361 -13.409 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.714 -13.858 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.520 -14.787 1.142 1.00 0.00 H new ATOM 1612 N GLU A 120 -1.721 -16.227 4.459 1.00 0.00 N ATOM 1613 CA GLU A 120 -2.194 -16.844 5.699 1.00 0.00 C ATOM 1614 C GLU A 120 -2.944 -15.849 6.572 1.00 0.00 C ATOM 1615 O GLU A 120 -2.715 -15.775 7.781 1.00 0.00 O ATOM 1616 CB GLU A 120 -1.036 -17.474 6.491 1.00 0.00 C ATOM 1617 CG GLU A 120 -0.695 -18.898 6.078 1.00 0.00 C ATOM 1618 CD GLU A 120 -0.216 -19.016 4.646 1.00 0.00 C ATOM 1619 OE1 GLU A 120 0.947 -18.656 4.370 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -0.988 -19.506 3.799 1.00 0.00 O ATOM 0 H GLU A 120 -2.190 -16.576 3.623 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.887 -17.635 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.149 -16.852 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.290 -17.467 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.076 -19.285 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.576 -19.527 6.211 1.00 0.00 H new TER 1627 GLU A 120