USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 555 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 67 SER OG : rot -130:sc= 1.16 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 1.04 USER MOD Set 2.1: A 13 THR OG1 : rot 118:sc= 2.23 USER MOD Set 2.2: A 91 SER OG : rot 119:sc= 0.917 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.1) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.72 F(o=-5.9!,f=-1.7) USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.178) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc=-0.00394 (180deg=-0.111) USER MOD Single : A 23 SER OG : rot -150:sc= 0.00211 USER MOD Single : A 25 GLN : amide:sc= -1.35 K(o=-1.3,f=-6.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.0947 X(o=0.095,f=-0.017) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 0.0848 (180deg=-0.365) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 136:sc= 1.3 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 72 THR OG1 : rot 89:sc= 1.32 USER MOD Single : A 78 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 79 THR OG1 : rot 39:sc= 0.226 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 17.670 8.379 -5.604 1.00 7.54 N ATOM 2 CA GLY A -2 17.656 8.891 -6.993 1.00 6.84 C ATOM 3 C GLY A -2 16.266 8.868 -7.585 1.00 5.98 C ATOM 4 O GLY A -2 15.309 9.322 -6.954 1.00 5.92 O ATOM 0 H1 GLY A -2 18.641 8.410 -5.232 1.00 7.54 H new ATOM 0 H2 GLY A -2 17.053 8.969 -5.010 1.00 7.54 H new ATOM 0 H3 GLY A -2 17.327 7.397 -5.592 1.00 7.54 H new ATOM 0 HA2 GLY A -2 18.041 9.911 -7.009 1.00 6.84 H new ATOM 0 HA3 GLY A -2 18.324 8.289 -7.609 1.00 6.84 H new ATOM 10 N SER A -1 16.142 8.297 -8.772 1.00 5.63 N ATOM 11 CA SER A -1 14.851 8.167 -9.426 1.00 5.13 C ATOM 12 C SER A -1 13.953 7.224 -8.625 1.00 4.14 C ATOM 13 O SER A -1 14.399 6.159 -8.185 1.00 4.20 O ATOM 14 CB SER A -1 15.046 7.644 -10.853 1.00 5.89 C ATOM 15 OG SER A -1 13.831 7.655 -11.585 1.00 6.58 O ATOM 0 H SER A -1 16.924 7.915 -9.304 1.00 5.63 H new ATOM 0 HA SER A -1 14.369 9.144 -9.474 1.00 5.13 H new ATOM 0 HB2 SER A -1 15.787 8.256 -11.367 1.00 5.89 H new ATOM 0 HB3 SER A -1 15.441 6.629 -10.818 1.00 5.89 H new ATOM 0 HG SER A -1 13.992 7.317 -12.491 1.00 6.58 H new ATOM 19 N VAL A 1 12.722 7.656 -8.369 1.00 3.59 N ATOM 20 CA VAL A 1 11.788 6.872 -7.569 1.00 2.90 C ATOM 21 C VAL A 1 11.417 5.573 -8.275 1.00 2.46 C ATOM 22 O VAL A 1 11.176 5.554 -9.485 1.00 2.65 O ATOM 23 CB VAL A 1 10.506 7.665 -7.234 1.00 2.83 C ATOM 24 CG1 VAL A 1 10.821 8.824 -6.303 1.00 2.99 C ATOM 25 CG2 VAL A 1 9.825 8.169 -8.497 1.00 3.50 C ATOM 0 H VAL A 1 12.348 8.544 -8.704 1.00 3.59 H new ATOM 0 HA VAL A 1 12.297 6.638 -6.634 1.00 2.90 H new ATOM 0 HB VAL A 1 9.818 6.988 -6.727 1.00 2.83 H new ATOM 0 HG11 VAL A 1 9.905 9.370 -6.079 1.00 2.99 H new ATOM 0 HG12 VAL A 1 11.251 8.441 -5.377 1.00 2.99 H new ATOM 0 HG13 VAL A 1 11.534 9.494 -6.784 1.00 2.99 H new ATOM 0 HG21 VAL A 1 8.926 8.723 -8.229 1.00 3.50 H new ATOM 0 HG22 VAL A 1 10.506 8.823 -9.041 1.00 3.50 H new ATOM 0 HG23 VAL A 1 9.555 7.322 -9.127 1.00 3.50 H new ATOM 35 N ASP A 2 11.455 4.480 -7.534 1.00 2.28 N ATOM 36 CA ASP A 2 11.200 3.167 -8.110 1.00 1.96 C ATOM 37 C ASP A 2 10.059 2.465 -7.383 1.00 1.39 C ATOM 38 O ASP A 2 8.933 2.452 -7.885 1.00 2.12 O ATOM 39 CB ASP A 2 12.481 2.329 -8.071 1.00 2.27 C ATOM 40 CG ASP A 2 12.297 0.926 -8.610 1.00 2.32 C ATOM 41 OD1 ASP A 2 11.858 0.048 -7.842 1.00 2.66 O ATOM 42 OD2 ASP A 2 12.600 0.692 -9.801 1.00 2.52 O ATOM 0 H ASP A 2 11.659 4.473 -6.535 1.00 2.28 H new ATOM 0 HA ASP A 2 10.895 3.290 -9.149 1.00 1.96 H new ATOM 0 HB2 ASP A 2 13.255 2.834 -8.649 1.00 2.27 H new ATOM 0 HB3 ASP A 2 12.838 2.272 -7.043 1.00 2.27 H new ATOM 45 N PHE A 3 10.333 2.006 -6.158 1.00 0.94 N ATOM 46 CA PHE A 3 9.330 1.400 -5.273 1.00 0.64 C ATOM 47 C PHE A 3 10.017 0.597 -4.176 1.00 0.52 C ATOM 48 O PHE A 3 9.642 0.674 -3.006 1.00 0.46 O ATOM 49 CB PHE A 3 8.372 0.458 -6.018 1.00 1.16 C ATOM 50 CG PHE A 3 7.318 -0.137 -5.121 1.00 0.79 C ATOM 51 CD1 PHE A 3 6.286 0.646 -4.631 1.00 0.87 C ATOM 52 CD2 PHE A 3 7.367 -1.474 -4.758 1.00 0.86 C ATOM 53 CE1 PHE A 3 5.323 0.110 -3.799 1.00 1.16 C ATOM 54 CE2 PHE A 3 6.409 -2.014 -3.922 1.00 0.71 C ATOM 55 CZ PHE A 3 5.385 -1.222 -3.443 1.00 0.99 C ATOM 0 H PHE A 3 11.266 2.044 -5.748 1.00 0.94 H new ATOM 0 HA PHE A 3 8.752 2.225 -4.857 1.00 0.64 H new ATOM 0 HB2 PHE A 3 7.887 1.006 -6.826 1.00 1.16 H new ATOM 0 HB3 PHE A 3 8.946 -0.346 -6.478 1.00 1.16 H new ATOM 0 HD1 PHE A 3 6.234 1.690 -4.903 1.00 0.87 H new ATOM 0 HD2 PHE A 3 8.163 -2.100 -5.133 1.00 0.86 H new ATOM 0 HE1 PHE A 3 4.522 0.732 -3.427 1.00 1.16 H new ATOM 0 HE2 PHE A 3 6.461 -3.056 -3.643 1.00 0.71 H new ATOM 0 HZ PHE A 3 4.634 -1.644 -2.791 1.00 0.99 H new ATOM 63 N ALA A 4 10.912 -0.290 -4.598 1.00 0.56 N ATOM 64 CA ALA A 4 11.524 -1.259 -3.696 1.00 0.55 C ATOM 65 C ALA A 4 12.327 -0.585 -2.590 1.00 0.57 C ATOM 66 O ALA A 4 12.125 -0.873 -1.412 1.00 0.54 O ATOM 67 CB ALA A 4 12.406 -2.224 -4.478 1.00 0.64 C ATOM 0 H ALA A 4 11.231 -0.358 -5.564 1.00 0.56 H new ATOM 0 HA ALA A 4 10.717 -1.815 -3.219 1.00 0.55 H new ATOM 0 HB1 ALA A 4 12.857 -2.942 -3.793 1.00 0.64 H new ATOM 0 HB2 ALA A 4 11.802 -2.755 -5.214 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.192 -1.667 -4.988 1.00 0.64 H new ATOM 73 N PHE A 5 13.207 0.333 -2.964 1.00 0.62 N ATOM 74 CA PHE A 5 14.021 1.047 -1.987 1.00 0.66 C ATOM 75 C PHE A 5 13.142 1.934 -1.116 1.00 0.59 C ATOM 76 O PHE A 5 13.299 1.983 0.105 1.00 0.57 O ATOM 77 CB PHE A 5 15.083 1.890 -2.694 1.00 0.79 C ATOM 78 CG PHE A 5 16.027 2.593 -1.761 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.661 1.901 -0.742 1.00 1.04 C ATOM 80 CD2 PHE A 5 16.283 3.946 -1.905 1.00 1.20 C ATOM 81 CE1 PHE A 5 17.530 2.547 0.114 1.00 1.46 C ATOM 82 CE2 PHE A 5 17.149 4.598 -1.050 1.00 1.56 C ATOM 83 CZ PHE A 5 17.776 3.896 -0.041 1.00 1.65 C ATOM 0 H PHE A 5 13.376 0.601 -3.933 1.00 0.62 H new ATOM 0 HA PHE A 5 14.521 0.316 -1.352 1.00 0.66 H new ATOM 0 HB2 PHE A 5 15.658 1.247 -3.360 1.00 0.79 H new ATOM 0 HB3 PHE A 5 14.586 2.632 -3.319 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.473 0.845 -0.616 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.799 4.499 -2.697 1.00 1.20 H new ATOM 0 HE1 PHE A 5 18.017 1.997 0.905 1.00 1.46 H new ATOM 0 HE2 PHE A 5 17.335 5.655 -1.171 1.00 1.56 H new ATOM 0 HZ PHE A 5 18.458 4.402 0.626 1.00 1.65 H new ATOM 91 N GLU A 6 12.202 2.607 -1.760 1.00 0.57 N ATOM 92 CA GLU A 6 11.271 3.493 -1.085 1.00 0.53 C ATOM 93 C GLU A 6 10.480 2.735 -0.023 1.00 0.49 C ATOM 94 O GLU A 6 10.339 3.199 1.108 1.00 0.49 O ATOM 95 CB GLU A 6 10.313 4.126 -2.103 1.00 0.57 C ATOM 96 CG GLU A 6 10.976 5.096 -3.080 1.00 0.70 C ATOM 97 CD GLU A 6 11.792 4.416 -4.173 1.00 1.42 C ATOM 98 OE1 GLU A 6 11.810 3.171 -4.211 1.00 2.09 O ATOM 99 OE2 GLU A 6 12.424 5.111 -4.991 1.00 1.97 O ATOM 0 H GLU A 6 12.064 2.553 -2.769 1.00 0.57 H new ATOM 0 HA GLU A 6 11.841 4.282 -0.594 1.00 0.53 H new ATOM 0 HB2 GLU A 6 9.830 3.331 -2.671 1.00 0.57 H new ATOM 0 HB3 GLU A 6 9.527 4.654 -1.563 1.00 0.57 H new ATOM 0 HG2 GLU A 6 10.205 5.710 -3.546 1.00 0.70 H new ATOM 0 HG3 GLU A 6 11.626 5.770 -2.522 1.00 0.70 H new ATOM 102 N LEU A 7 9.989 1.557 -0.387 1.00 0.49 N ATOM 103 CA LEU A 7 9.219 0.728 0.531 1.00 0.51 C ATOM 104 C LEU A 7 10.101 0.217 1.669 1.00 0.53 C ATOM 105 O LEU A 7 9.692 0.221 2.832 1.00 0.56 O ATOM 106 CB LEU A 7 8.586 -0.451 -0.211 1.00 0.56 C ATOM 107 CG LEU A 7 7.521 -1.219 0.574 1.00 0.79 C ATOM 108 CD1 LEU A 7 6.332 -0.320 0.872 1.00 1.43 C ATOM 109 CD2 LEU A 7 7.079 -2.452 -0.196 1.00 1.45 C ATOM 0 H LEU A 7 10.111 1.153 -1.316 1.00 0.49 H new ATOM 0 HA LEU A 7 8.425 1.343 0.955 1.00 0.51 H new ATOM 0 HB2 LEU A 7 8.138 -0.081 -1.133 1.00 0.56 H new ATOM 0 HB3 LEU A 7 9.376 -1.146 -0.497 1.00 0.56 H new ATOM 0 HG LEU A 7 7.954 -1.543 1.520 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.583 -0.881 1.431 1.00 1.43 H new ATOM 0 HD12 LEU A 7 6.661 0.535 1.463 1.00 1.43 H new ATOM 0 HD13 LEU A 7 5.898 0.032 -0.064 1.00 1.43 H new ATOM 0 HD21 LEU A 7 6.321 -2.986 0.377 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.662 -2.151 -1.157 1.00 1.45 H new ATOM 0 HD23 LEU A 7 7.936 -3.105 -0.361 1.00 1.45 H new ATOM 119 N ARG A 8 11.324 -0.192 1.332 1.00 0.56 N ATOM 120 CA ARG A 8 12.274 -0.673 2.333 1.00 0.62 C ATOM 121 C ARG A 8 12.557 0.407 3.370 1.00 0.60 C ATOM 122 O ARG A 8 12.579 0.143 4.574 1.00 0.63 O ATOM 123 CB ARG A 8 13.590 -1.114 1.682 1.00 0.70 C ATOM 124 CG ARG A 8 13.489 -2.416 0.903 1.00 1.30 C ATOM 125 CD ARG A 8 12.927 -3.538 1.761 1.00 1.61 C ATOM 126 NE ARG A 8 13.694 -3.730 2.993 1.00 1.92 N ATOM 127 CZ ARG A 8 13.317 -4.531 3.986 1.00 2.84 C ATOM 128 NH1 ARG A 8 12.223 -5.263 3.873 1.00 3.51 N ATOM 129 NH2 ARG A 8 14.045 -4.603 5.091 1.00 3.56 N ATOM 0 H ARG A 8 11.679 -0.200 0.376 1.00 0.56 H new ATOM 0 HA ARG A 8 11.822 -1.534 2.825 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.933 -0.327 1.011 1.00 0.70 H new ATOM 0 HB3 ARG A 8 14.348 -1.224 2.458 1.00 0.70 H new ATOM 0 HG2 ARG A 8 12.852 -2.270 0.030 1.00 1.30 H new ATOM 0 HG3 ARG A 8 14.475 -2.698 0.534 1.00 1.30 H new ATOM 0 HD2 ARG A 8 11.890 -3.316 2.012 1.00 1.61 H new ATOM 0 HD3 ARG A 8 12.925 -4.465 1.188 1.00 1.61 H new ATOM 0 HE ARG A 8 14.571 -3.219 3.096 1.00 1.92 H new ATOM 0 HH11 ARG A 8 11.663 -5.216 3.022 1.00 3.51 H new ATOM 0 HH12 ARG A 8 11.938 -5.876 4.637 1.00 3.51 H new ATOM 0 HH21 ARG A 8 14.894 -4.044 5.180 1.00 3.56 H new ATOM 0 HH22 ARG A 8 13.756 -5.217 5.853 1.00 3.56 H new ATOM 137 N LYS A 9 12.753 1.625 2.894 1.00 0.56 N ATOM 138 CA LYS A 9 13.011 2.755 3.771 1.00 0.56 C ATOM 139 C LYS A 9 11.765 3.119 4.570 1.00 0.50 C ATOM 140 O LYS A 9 11.852 3.393 5.766 1.00 0.50 O ATOM 141 CB LYS A 9 13.495 3.958 2.963 1.00 0.60 C ATOM 142 CG LYS A 9 14.881 3.769 2.367 1.00 1.06 C ATOM 143 CD LYS A 9 15.933 3.577 3.450 1.00 1.67 C ATOM 144 CE LYS A 9 16.155 4.849 4.255 1.00 2.14 C ATOM 145 NZ LYS A 9 16.826 5.906 3.451 1.00 2.75 N ATOM 0 H LYS A 9 12.738 1.857 1.901 1.00 0.56 H new ATOM 0 HA LYS A 9 13.794 2.468 4.473 1.00 0.56 H new ATOM 0 HB2 LYS A 9 12.786 4.155 2.159 1.00 0.60 H new ATOM 0 HB3 LYS A 9 13.501 4.839 3.605 1.00 0.60 H new ATOM 0 HG2 LYS A 9 14.878 2.904 1.704 1.00 1.06 H new ATOM 0 HG3 LYS A 9 15.138 4.636 1.759 1.00 1.06 H new ATOM 0 HD2 LYS A 9 15.624 2.773 4.118 1.00 1.67 H new ATOM 0 HD3 LYS A 9 16.873 3.268 2.993 1.00 1.67 H new ATOM 0 HE2 LYS A 9 15.196 5.222 4.616 1.00 2.14 H new ATOM 0 HE3 LYS A 9 16.760 4.622 5.133 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 17.126 6.680 4.077 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 17.658 5.504 2.974 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 16.163 6.274 2.739 1.00 2.75 H new ATOM 151 N ALA A 10 10.613 3.114 3.905 1.00 0.47 N ATOM 152 CA ALA A 10 9.342 3.460 4.541 1.00 0.44 C ATOM 153 C ALA A 10 9.034 2.539 5.714 1.00 0.45 C ATOM 154 O ALA A 10 8.538 2.986 6.746 1.00 0.47 O ATOM 155 CB ALA A 10 8.212 3.420 3.524 1.00 0.44 C ATOM 0 H ALA A 10 10.532 2.872 2.917 1.00 0.47 H new ATOM 0 HA ALA A 10 9.431 4.474 4.931 1.00 0.44 H new ATOM 0 HB1 ALA A 10 7.273 3.680 4.013 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.415 4.134 2.726 1.00 0.44 H new ATOM 0 HB3 ALA A 10 8.137 2.417 3.103 1.00 0.44 H new ATOM 161 N GLN A 11 9.367 1.261 5.558 1.00 0.47 N ATOM 162 CA GLN A 11 9.178 0.280 6.622 1.00 0.53 C ATOM 163 C GLN A 11 9.976 0.654 7.866 1.00 0.58 C ATOM 164 O GLN A 11 9.549 0.393 8.991 1.00 0.63 O ATOM 165 CB GLN A 11 9.601 -1.112 6.141 1.00 0.59 C ATOM 166 CG GLN A 11 8.544 -1.839 5.328 1.00 1.07 C ATOM 167 CD GLN A 11 7.352 -2.255 6.166 1.00 1.69 C ATOM 168 OE1 GLN A 11 6.160 -1.915 5.713 1.00 2.18 O flip ATOM 169 NE2 GLN A 11 7.500 -2.896 7.205 1.00 2.44 N flip ATOM 0 H GLN A 11 9.770 0.880 4.702 1.00 0.47 H new ATOM 0 HA GLN A 11 8.119 0.270 6.881 1.00 0.53 H new ATOM 0 HB2 GLN A 11 10.504 -1.017 5.539 1.00 0.59 H new ATOM 0 HB3 GLN A 11 9.859 -1.721 7.008 1.00 0.59 H new ATOM 0 HG2 GLN A 11 8.206 -1.194 4.517 1.00 1.07 H new ATOM 0 HG3 GLN A 11 8.987 -2.723 4.869 1.00 1.07 H new ATOM 0 HE21 GLN A 11 8.437 -3.141 7.524 1.00 2.44 H new ATOM 0 HE22 GLN A 11 6.685 -3.183 7.748 1.00 2.44 H new ATOM 174 N ASP A 12 11.168 1.196 7.655 1.00 0.61 N ATOM 175 CA ASP A 12 12.060 1.530 8.759 1.00 0.73 C ATOM 176 C ASP A 12 11.718 2.892 9.360 1.00 0.68 C ATOM 177 O ASP A 12 11.656 3.045 10.580 1.00 0.73 O ATOM 178 CB ASP A 12 13.513 1.530 8.285 1.00 0.92 C ATOM 179 CG ASP A 12 14.498 1.462 9.438 1.00 0.95 C ATOM 180 OD1 ASP A 12 14.072 1.158 10.571 1.00 1.32 O ATOM 181 OD2 ASP A 12 15.694 1.761 9.229 1.00 1.43 O ATOM 0 H ASP A 12 11.540 1.414 6.731 1.00 0.61 H new ATOM 0 HA ASP A 12 11.928 0.771 9.531 1.00 0.73 H new ATOM 0 HB2 ASP A 12 13.676 0.681 7.621 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.702 2.431 7.702 1.00 0.92 H new ATOM 184 N THR A 13 11.550 3.893 8.502 1.00 0.64 N ATOM 185 CA THR A 13 11.296 5.256 8.959 1.00 0.68 C ATOM 186 C THR A 13 9.934 5.380 9.632 1.00 0.58 C ATOM 187 O THR A 13 9.811 5.975 10.706 1.00 0.95 O ATOM 188 CB THR A 13 11.386 6.267 7.797 1.00 0.96 C ATOM 189 OG1 THR A 13 10.590 5.824 6.687 1.00 1.96 O ATOM 190 CG2 THR A 13 12.829 6.448 7.351 1.00 1.02 C ATOM 0 H THR A 13 11.585 3.787 7.488 1.00 0.64 H new ATOM 0 HA THR A 13 12.070 5.487 9.691 1.00 0.68 H new ATOM 0 HB THR A 13 11.005 7.225 8.152 1.00 0.96 H new ATOM 0 HG1 THR A 13 9.879 6.475 6.514 1.00 1.96 H new ATOM 0 HG21 THR A 13 12.869 7.165 6.531 1.00 1.02 H new ATOM 0 HG22 THR A 13 13.424 6.818 8.186 1.00 1.02 H new ATOM 0 HG23 THR A 13 13.229 5.491 7.016 1.00 1.02 H new ATOM 198 N GLY A 14 8.922 4.797 9.019 1.00 0.59 N ATOM 199 CA GLY A 14 7.596 4.846 9.588 1.00 0.55 C ATOM 200 C GLY A 14 7.064 3.471 9.904 1.00 0.50 C ATOM 201 O GLY A 14 7.816 2.588 10.323 1.00 0.64 O ATOM 0 H GLY A 14 8.994 4.290 8.137 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.614 5.445 10.498 1.00 0.55 H new ATOM 0 HA3 GLY A 14 6.921 5.344 8.892 1.00 0.55 H new ATOM 205 N LYS A 15 5.783 3.275 9.647 1.00 0.47 N ATOM 206 CA LYS A 15 5.137 1.987 9.857 1.00 0.55 C ATOM 207 C LYS A 15 4.041 1.798 8.821 1.00 0.41 C ATOM 208 O LYS A 15 3.286 2.731 8.521 1.00 0.42 O ATOM 209 CB LYS A 15 4.547 1.876 11.273 1.00 0.85 C ATOM 210 CG LYS A 15 5.586 1.974 12.382 1.00 1.63 C ATOM 211 CD LYS A 15 5.003 1.698 13.763 1.00 2.21 C ATOM 212 CE LYS A 15 3.910 2.687 14.141 1.00 2.74 C ATOM 213 NZ LYS A 15 2.551 2.162 13.841 1.00 3.52 N ATOM 0 H LYS A 15 5.161 4.000 9.288 1.00 0.47 H new ATOM 0 HA LYS A 15 5.888 1.205 9.749 1.00 0.55 H new ATOM 0 HB2 LYS A 15 3.807 2.664 11.411 1.00 0.85 H new ATOM 0 HB3 LYS A 15 4.021 0.926 11.364 1.00 0.85 H new ATOM 0 HG2 LYS A 15 6.390 1.265 12.184 1.00 1.63 H new ATOM 0 HG3 LYS A 15 6.029 2.970 12.372 1.00 1.63 H new ATOM 0 HD2 LYS A 15 4.598 0.686 13.787 1.00 2.21 H new ATOM 0 HD3 LYS A 15 5.800 1.740 14.506 1.00 2.21 H new ATOM 0 HE2 LYS A 15 3.982 2.918 15.204 1.00 2.74 H new ATOM 0 HE3 LYS A 15 4.065 3.621 13.601 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 1.941 2.941 13.522 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 2.614 1.442 13.093 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 2.147 1.735 14.699 1.00 3.52 H new ATOM 219 N ILE A 16 4.008 0.622 8.215 1.00 0.40 N ATOM 220 CA ILE A 16 3.046 0.338 7.165 1.00 0.37 C ATOM 221 C ILE A 16 2.207 -0.876 7.531 1.00 0.38 C ATOM 222 O ILE A 16 2.744 -1.932 7.867 1.00 0.48 O ATOM 223 CB ILE A 16 3.742 0.086 5.813 1.00 0.51 C ATOM 224 CG1 ILE A 16 4.767 1.187 5.531 1.00 0.59 C ATOM 225 CG2 ILE A 16 2.713 0.022 4.695 1.00 0.63 C ATOM 226 CD1 ILE A 16 5.508 1.014 4.223 1.00 0.99 C ATOM 0 H ILE A 16 4.637 -0.151 8.433 1.00 0.40 H new ATOM 0 HA ILE A 16 2.404 1.213 7.066 1.00 0.37 H new ATOM 0 HB ILE A 16 4.263 -0.870 5.861 1.00 0.51 H new ATOM 0 HG12 ILE A 16 4.258 2.151 5.524 1.00 0.59 H new ATOM 0 HG13 ILE A 16 5.490 1.214 6.346 1.00 0.59 H new ATOM 0 HG21 ILE A 16 3.218 -0.156 3.746 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.012 -0.789 4.891 1.00 0.63 H new ATOM 0 HG23 ILE A 16 2.170 0.966 4.646 1.00 0.63 H new ATOM 0 HD11 ILE A 16 6.216 1.833 4.095 1.00 0.99 H new ATOM 0 HD12 ILE A 16 6.047 0.067 4.233 1.00 0.99 H new ATOM 0 HD13 ILE A 16 4.796 1.018 3.398 1.00 0.99 H new ATOM 236 N VAL A 17 0.896 -0.704 7.520 1.00 0.36 N ATOM 237 CA VAL A 17 -0.018 -1.765 7.905 1.00 0.37 C ATOM 238 C VAL A 17 -0.296 -2.707 6.734 1.00 0.37 C ATOM 239 O VAL A 17 -1.155 -2.438 5.891 1.00 0.59 O ATOM 240 CB VAL A 17 -1.348 -1.187 8.432 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.223 -2.285 9.017 1.00 0.83 C ATOM 242 CG2 VAL A 17 -1.085 -0.103 9.468 1.00 1.04 C ATOM 0 H VAL A 17 0.439 0.166 7.247 1.00 0.36 H new ATOM 0 HA VAL A 17 0.462 -2.331 8.703 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.881 -0.741 7.592 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.155 -1.852 9.382 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.443 -3.024 8.247 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.699 -2.767 9.843 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -2.034 0.293 9.829 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.527 -0.526 10.304 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.505 0.701 9.014 1.00 1.04 H new ATOM 252 N MET A 18 0.419 -3.820 6.705 1.00 0.32 N ATOM 253 CA MET A 18 0.219 -4.839 5.685 1.00 0.42 C ATOM 254 C MET A 18 -0.868 -5.809 6.132 1.00 0.63 C ATOM 255 O MET A 18 -0.907 -6.212 7.297 1.00 0.87 O ATOM 256 CB MET A 18 1.530 -5.591 5.404 1.00 0.74 C ATOM 257 CG MET A 18 2.072 -6.388 6.588 1.00 1.20 C ATOM 258 SD MET A 18 2.647 -5.344 7.944 1.00 1.77 S ATOM 259 CE MET A 18 3.140 -6.584 9.139 1.00 2.03 C ATOM 0 H MET A 18 1.149 -4.043 7.382 1.00 0.32 H new ATOM 0 HA MET A 18 -0.096 -4.354 4.761 1.00 0.42 H new ATOM 0 HB2 MET A 18 1.371 -6.271 4.567 1.00 0.74 H new ATOM 0 HB3 MET A 18 2.286 -4.871 5.091 1.00 0.74 H new ATOM 0 HG2 MET A 18 1.292 -7.055 6.957 1.00 1.20 H new ATOM 0 HG3 MET A 18 2.895 -7.017 6.248 1.00 1.20 H new ATOM 0 HE1 MET A 18 3.519 -6.094 10.036 1.00 2.03 H new ATOM 0 HE2 MET A 18 2.280 -7.201 9.398 1.00 2.03 H new ATOM 0 HE3 MET A 18 3.921 -7.212 8.711 1.00 2.03 H new ATOM 265 N GLY A 19 -1.776 -6.155 5.231 1.00 0.70 N ATOM 266 CA GLY A 19 -2.846 -7.056 5.606 1.00 1.09 C ATOM 267 C GLY A 19 -3.960 -7.131 4.586 1.00 0.88 C ATOM 268 O GLY A 19 -4.760 -8.066 4.622 1.00 1.71 O ATOM 0 H GLY A 19 -1.792 -5.834 4.263 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -2.434 -8.054 5.755 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.261 -6.736 6.562 1.00 1.09 H new ATOM 272 N ALA A 20 -4.066 -6.099 3.748 1.00 0.76 N ATOM 273 CA ALA A 20 -5.132 -5.984 2.743 1.00 0.53 C ATOM 274 C ALA A 20 -6.485 -5.698 3.393 1.00 0.48 C ATOM 275 O ALA A 20 -7.055 -4.628 3.197 1.00 0.49 O ATOM 276 CB ALA A 20 -5.209 -7.227 1.860 1.00 0.67 C ATOM 0 H ALA A 20 -3.414 -5.315 3.745 1.00 0.76 H new ATOM 0 HA ALA A 20 -4.879 -5.137 2.105 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -6.009 -7.105 1.129 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -4.260 -7.364 1.341 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -5.413 -8.101 2.479 1.00 0.67 H new ATOM 282 N ARG A 21 -6.945 -6.606 4.247 1.00 0.50 N ATOM 283 CA ARG A 21 -8.182 -6.391 4.992 1.00 0.54 C ATOM 284 C ARG A 21 -7.991 -5.281 6.027 1.00 0.49 C ATOM 285 O ARG A 21 -8.875 -4.452 6.234 1.00 0.54 O ATOM 286 CB ARG A 21 -8.670 -7.698 5.643 1.00 0.66 C ATOM 287 CG ARG A 21 -7.671 -8.361 6.581 1.00 1.48 C ATOM 288 CD ARG A 21 -7.881 -7.936 8.025 1.00 1.94 C ATOM 289 NE ARG A 21 -6.978 -8.634 8.942 1.00 2.79 N ATOM 290 CZ ARG A 21 -6.943 -8.419 10.257 1.00 3.74 C ATOM 291 NH1 ARG A 21 -7.742 -7.516 10.804 1.00 4.12 N ATOM 292 NH2 ARG A 21 -6.094 -9.096 11.019 1.00 4.68 N ATOM 0 H ARG A 21 -6.483 -7.494 4.441 1.00 0.50 H new ATOM 0 HA ARG A 21 -8.957 -6.071 4.295 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -9.585 -7.490 6.198 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -8.929 -8.404 4.854 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -7.765 -9.444 6.504 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -6.658 -8.106 6.271 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -7.725 -6.861 8.112 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -8.913 -8.133 8.314 1.00 1.94 H new ATOM 0 HE ARG A 21 -6.338 -9.326 8.552 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -8.386 -6.983 10.219 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -7.714 -7.353 11.810 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -5.467 -9.782 10.599 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -6.068 -8.931 12.025 1.00 4.68 H new ATOM 300 N LYS A 22 -6.773 -5.182 6.553 1.00 0.46 N ATOM 301 CA LYS A 22 -6.409 -4.088 7.448 1.00 0.49 C ATOM 302 C LYS A 22 -6.422 -2.762 6.692 1.00 0.47 C ATOM 303 O LYS A 22 -6.850 -1.735 7.215 1.00 0.49 O ATOM 304 CB LYS A 22 -5.027 -4.333 8.054 1.00 0.50 C ATOM 305 CG LYS A 22 -5.010 -5.391 9.146 1.00 0.80 C ATOM 306 CD LYS A 22 -3.593 -5.686 9.608 1.00 1.14 C ATOM 307 CE LYS A 22 -3.578 -6.551 10.858 1.00 1.61 C ATOM 308 NZ LYS A 22 -4.035 -5.807 12.062 1.00 1.91 N ATOM 0 H LYS A 22 -6.021 -5.847 6.374 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.141 -4.041 8.255 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.342 -4.633 7.261 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.650 -3.396 8.464 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -5.608 -5.052 9.992 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.472 -6.306 8.776 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -3.048 -6.190 8.810 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -3.073 -4.749 9.807 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -4.219 -7.419 10.705 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -2.568 -6.926 11.026 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -3.834 -6.369 12.914 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -3.532 -4.898 12.120 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -5.058 -5.633 11.995 1.00 1.91 H new ATOM 314 N SER A 23 -6.006 -2.816 5.434 1.00 0.46 N ATOM 315 CA SER A 23 -6.017 -1.648 4.569 1.00 0.48 C ATOM 316 C SER A 23 -7.450 -1.169 4.341 1.00 0.48 C ATOM 317 O SER A 23 -7.711 0.031 4.311 1.00 0.50 O ATOM 318 CB SER A 23 -5.347 -1.989 3.240 1.00 0.52 C ATOM 319 OG SER A 23 -4.128 -2.689 3.459 1.00 1.14 O ATOM 0 H SER A 23 -5.655 -3.664 4.989 1.00 0.46 H new ATOM 0 HA SER A 23 -5.462 -0.842 5.049 1.00 0.48 H new ATOM 0 HB2 SER A 23 -6.018 -2.597 2.634 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.152 -1.075 2.680 1.00 0.52 H new ATOM 0 HG SER A 23 -3.503 -2.493 2.730 1.00 1.14 H new ATOM 323 N ILE A 24 -8.380 -2.119 4.267 1.00 0.49 N ATOM 324 CA ILE A 24 -9.799 -1.807 4.130 1.00 0.52 C ATOM 325 C ILE A 24 -10.296 -1.018 5.341 1.00 0.49 C ATOM 326 O ILE A 24 -10.967 0.008 5.200 1.00 0.52 O ATOM 327 CB ILE A 24 -10.648 -3.091 3.985 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.206 -3.889 2.753 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.127 -2.743 3.894 1.00 0.60 C ATOM 330 CD1 ILE A 24 -10.914 -5.218 2.595 1.00 0.66 C ATOM 0 H ILE A 24 -8.173 -3.117 4.300 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.911 -1.206 3.228 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.494 -3.710 4.869 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.381 -3.287 1.861 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.132 -4.066 2.813 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.710 -3.658 3.792 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.433 -2.216 4.798 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.298 -2.105 3.027 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.547 -5.722 1.701 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.719 -5.840 3.468 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -11.987 -5.050 2.502 1.00 0.66 H new ATOM 340 N GLN A 25 -9.911 -1.474 6.528 1.00 0.47 N ATOM 341 CA GLN A 25 -10.276 -0.801 7.769 1.00 0.49 C ATOM 342 C GLN A 25 -9.761 0.636 7.759 1.00 0.44 C ATOM 343 O GLN A 25 -10.492 1.575 8.082 1.00 0.47 O ATOM 344 CB GLN A 25 -9.701 -1.557 8.972 1.00 0.54 C ATOM 345 CG GLN A 25 -10.233 -1.067 10.313 1.00 0.81 C ATOM 346 CD GLN A 25 -11.681 -1.456 10.544 1.00 1.35 C ATOM 347 OE1 GLN A 25 -12.560 -1.145 9.742 1.00 2.19 O ATOM 348 NE2 GLN A 25 -11.941 -2.142 11.643 1.00 1.75 N ATOM 0 H GLN A 25 -9.343 -2.311 6.657 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.363 -0.786 7.851 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -9.929 -2.618 8.866 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.615 -1.462 8.965 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -9.618 -1.476 11.115 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -10.140 0.018 10.362 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -11.186 -2.382 12.285 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -12.897 -2.432 11.849 1.00 1.75 H new ATOM 353 N TYR A 26 -8.528 0.807 7.301 1.00 0.41 N ATOM 354 CA TYR A 26 -7.940 2.130 7.169 1.00 0.42 C ATOM 355 C TYR A 26 -8.635 2.938 6.078 1.00 0.42 C ATOM 356 O TYR A 26 -8.799 4.146 6.208 1.00 0.46 O ATOM 357 CB TYR A 26 -6.435 2.041 6.898 1.00 0.43 C ATOM 358 CG TYR A 26 -5.604 1.945 8.161 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.845 0.945 9.094 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.575 2.843 8.415 1.00 0.56 C ATOM 361 CE1 TYR A 26 -5.083 0.841 10.241 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.809 2.745 9.561 1.00 0.62 C ATOM 363 CZ TYR A 26 -4.089 1.796 10.489 1.00 0.57 C ATOM 364 OH TYR A 26 -3.302 1.638 11.613 1.00 0.66 O ATOM 0 H TYR A 26 -7.916 0.043 7.015 1.00 0.41 H new ATOM 0 HA TYR A 26 -8.085 2.648 8.117 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.236 1.170 6.273 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -6.122 2.918 6.331 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.642 0.237 8.920 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -4.370 3.631 7.705 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.251 0.033 10.938 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -2.985 3.426 9.718 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.652 2.370 11.663 1.00 0.66 H new ATOM 372 N ALA A 27 -9.065 2.271 5.018 1.00 0.40 N ATOM 373 CA ALA A 27 -9.774 2.936 3.933 1.00 0.44 C ATOM 374 C ALA A 27 -11.080 3.544 4.432 1.00 0.48 C ATOM 375 O ALA A 27 -11.492 4.610 3.973 1.00 0.55 O ATOM 376 CB ALA A 27 -10.040 1.968 2.790 1.00 0.47 C ATOM 0 H ALA A 27 -8.936 1.268 4.885 1.00 0.40 H new ATOM 0 HA ALA A 27 -9.141 3.742 3.561 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -10.570 2.486 1.991 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -9.093 1.586 2.409 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.648 1.138 3.150 1.00 0.47 H new ATOM 382 N LYS A 28 -11.727 2.854 5.364 1.00 0.48 N ATOM 383 CA LYS A 28 -12.991 3.319 5.927 1.00 0.56 C ATOM 384 C LYS A 28 -12.812 4.619 6.716 1.00 0.62 C ATOM 385 O LYS A 28 -13.481 5.615 6.441 1.00 0.73 O ATOM 386 CB LYS A 28 -13.583 2.243 6.838 1.00 0.58 C ATOM 387 CG LYS A 28 -13.900 0.943 6.122 1.00 1.02 C ATOM 388 CD LYS A 28 -14.351 -0.134 7.089 1.00 1.11 C ATOM 389 CE LYS A 28 -14.645 -1.437 6.367 1.00 1.31 C ATOM 390 NZ LYS A 28 -15.159 -2.480 7.292 1.00 2.06 N ATOM 0 H LYS A 28 -11.397 1.968 5.747 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.671 3.517 5.099 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -12.882 2.040 7.648 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -14.495 2.628 7.294 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -14.680 1.117 5.381 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -13.018 0.601 5.582 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -13.578 -0.298 7.840 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -15.243 0.200 7.618 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -15.377 -1.258 5.579 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -13.737 -1.797 5.883 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -15.347 -3.354 6.760 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -14.451 -2.670 8.030 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -16.039 -2.148 7.735 1.00 2.06 H new ATOM 396 N MET A 29 -11.895 4.614 7.680 1.00 0.60 N ATOM 397 CA MET A 29 -11.643 5.796 8.510 1.00 0.73 C ATOM 398 C MET A 29 -10.328 5.646 9.266 1.00 0.75 C ATOM 399 O MET A 29 -10.215 5.987 10.447 1.00 1.07 O ATOM 400 CB MET A 29 -12.802 6.047 9.497 1.00 1.26 C ATOM 401 CG MET A 29 -13.030 4.932 10.514 1.00 1.48 C ATOM 402 SD MET A 29 -13.908 3.514 9.830 1.00 2.39 S ATOM 403 CE MET A 29 -13.936 2.414 11.241 1.00 3.09 C ATOM 0 H MET A 29 -11.313 3.808 7.908 1.00 0.60 H new ATOM 0 HA MET A 29 -11.573 6.659 7.848 1.00 0.73 H new ATOM 0 HB2 MET A 29 -12.608 6.975 10.034 1.00 1.26 H new ATOM 0 HB3 MET A 29 -13.720 6.194 8.928 1.00 1.26 H new ATOM 0 HG2 MET A 29 -12.067 4.601 10.903 1.00 1.48 H new ATOM 0 HG3 MET A 29 -13.595 5.329 11.357 1.00 1.48 H new ATOM 0 HE1 MET A 29 -14.448 1.490 10.972 1.00 3.09 H new ATOM 0 HE2 MET A 29 -12.914 2.187 11.546 1.00 3.09 H new ATOM 0 HE3 MET A 29 -14.462 2.894 12.066 1.00 3.09 H new ATOM 409 N GLY A 30 -9.341 5.119 8.568 1.00 0.77 N ATOM 410 CA GLY A 30 -8.039 4.878 9.150 1.00 1.31 C ATOM 411 C GLY A 30 -7.170 6.111 9.189 1.00 0.87 C ATOM 412 O GLY A 30 -6.314 6.243 10.063 1.00 1.43 O ATOM 0 H GLY A 30 -9.420 4.848 7.588 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.166 4.498 10.164 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -7.531 4.101 8.579 1.00 1.31 H new ATOM 416 N GLY A 31 -7.305 6.952 8.171 1.00 0.71 N ATOM 417 CA GLY A 31 -6.427 8.096 8.035 1.00 1.01 C ATOM 418 C GLY A 31 -5.054 7.678 7.553 1.00 1.00 C ATOM 419 O GLY A 31 -4.039 8.256 7.943 1.00 1.67 O ATOM 0 H GLY A 31 -8.008 6.861 7.437 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -6.860 8.809 7.333 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -6.339 8.606 8.994 1.00 1.01 H new ATOM 423 N ALA A 32 -5.032 6.668 6.693 1.00 0.55 N ATOM 424 CA ALA A 32 -3.792 6.170 6.122 1.00 0.47 C ATOM 425 C ALA A 32 -3.221 7.180 5.138 1.00 0.42 C ATOM 426 O ALA A 32 -3.968 7.855 4.427 1.00 0.45 O ATOM 427 CB ALA A 32 -4.020 4.831 5.439 1.00 0.45 C ATOM 0 H ALA A 32 -5.867 6.176 6.375 1.00 0.55 H new ATOM 0 HA ALA A 32 -3.072 6.026 6.928 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -3.081 4.473 5.017 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -4.389 4.109 6.168 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.754 4.949 4.642 1.00 0.45 H new ATOM 433 N LYS A 33 -1.903 7.289 5.115 1.00 0.43 N ATOM 434 CA LYS A 33 -1.234 8.213 4.224 1.00 0.45 C ATOM 435 C LYS A 33 -1.255 7.677 2.795 1.00 0.40 C ATOM 436 O LYS A 33 -1.744 8.350 1.891 1.00 0.43 O ATOM 437 CB LYS A 33 0.202 8.466 4.692 1.00 0.54 C ATOM 438 CG LYS A 33 0.866 9.650 4.012 1.00 1.19 C ATOM 439 CD LYS A 33 0.073 10.931 4.220 1.00 1.27 C ATOM 440 CE LYS A 33 0.739 12.115 3.541 1.00 1.41 C ATOM 441 NZ LYS A 33 -0.087 13.345 3.626 1.00 1.85 N ATOM 0 H LYS A 33 -1.276 6.745 5.707 1.00 0.43 H new ATOM 0 HA LYS A 33 -1.767 9.164 4.241 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.200 8.631 5.769 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.798 7.572 4.508 1.00 0.54 H new ATOM 0 HG2 LYS A 33 1.875 9.778 4.405 1.00 1.19 H new ATOM 0 HG3 LYS A 33 0.963 9.450 2.945 1.00 1.19 H new ATOM 0 HD2 LYS A 33 -0.935 10.804 3.826 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -0.025 11.130 5.287 1.00 1.27 H new ATOM 0 HE2 LYS A 33 1.709 12.298 4.002 1.00 1.41 H new ATOM 0 HE3 LYS A 33 0.924 11.875 2.494 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 0.406 14.128 3.150 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -1.004 13.180 3.163 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 -0.243 13.590 4.625 1.00 1.85 H new ATOM 447 N LEU A 34 -0.784 6.447 2.593 1.00 0.36 N ATOM 448 CA LEU A 34 -0.841 5.847 1.260 1.00 0.34 C ATOM 449 C LEU A 34 -1.149 4.358 1.340 1.00 0.32 C ATOM 450 O LEU A 34 -0.406 3.601 1.960 1.00 0.49 O ATOM 451 CB LEU A 34 0.482 6.067 0.520 1.00 0.40 C ATOM 452 CG LEU A 34 0.534 5.522 -0.911 1.00 0.51 C ATOM 453 CD1 LEU A 34 -0.409 6.297 -1.820 1.00 1.06 C ATOM 454 CD2 LEU A 34 1.954 5.571 -1.449 1.00 0.99 C ATOM 0 H LEU A 34 -0.368 5.858 3.315 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.645 6.334 0.708 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.689 7.137 0.491 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.282 5.603 1.096 1.00 0.40 H new ATOM 0 HG LEU A 34 0.208 4.482 -0.891 1.00 0.51 H new ATOM 0 HD11 LEU A 34 -0.355 5.892 -2.831 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.429 6.207 -1.447 1.00 1.06 H new ATOM 0 HD13 LEU A 34 -0.119 7.348 -1.834 1.00 1.06 H new ATOM 0 HD21 LEU A 34 1.971 5.180 -2.466 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.307 6.602 -1.451 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.604 4.966 -0.817 1.00 0.99 H new ATOM 464 N ILE A 35 -2.188 3.923 0.639 1.00 0.26 N ATOM 465 CA ILE A 35 -2.492 2.502 0.559 1.00 0.23 C ATOM 466 C ILE A 35 -1.995 1.938 -0.765 1.00 0.24 C ATOM 467 O ILE A 35 -2.388 2.403 -1.832 1.00 0.31 O ATOM 468 CB ILE A 35 -4.005 2.217 0.699 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.517 2.706 2.056 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.282 0.726 0.535 1.00 0.26 C ATOM 471 CD1 ILE A 35 -6.003 2.497 2.259 1.00 0.30 C ATOM 0 H ILE A 35 -2.828 4.527 0.123 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.982 2.017 1.392 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.533 2.757 -0.087 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.975 2.187 2.847 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.291 3.767 2.158 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.351 0.541 0.636 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.949 0.400 -0.451 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.744 0.169 1.302 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.292 2.868 3.242 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.555 3.038 1.491 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.234 1.434 2.190 1.00 0.30 H new ATOM 481 N ILE A 36 -1.131 0.943 -0.692 1.00 0.22 N ATOM 482 CA ILE A 36 -0.600 0.305 -1.883 1.00 0.25 C ATOM 483 C ILE A 36 -1.241 -1.064 -2.067 1.00 0.24 C ATOM 484 O ILE A 36 -1.313 -1.852 -1.122 1.00 0.25 O ATOM 485 CB ILE A 36 0.936 0.154 -1.801 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.588 1.518 -1.543 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.484 -0.467 -3.079 1.00 0.34 C ATOM 488 CD1 ILE A 36 3.074 1.445 -1.266 1.00 0.40 C ATOM 0 H ILE A 36 -0.780 0.557 0.185 1.00 0.22 H new ATOM 0 HA ILE A 36 -0.835 0.938 -2.738 1.00 0.25 H new ATOM 0 HB ILE A 36 1.175 -0.510 -0.971 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.421 2.159 -2.409 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.093 1.992 -0.695 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.567 -0.565 -3.001 1.00 0.34 H new ATOM 0 HG22 ILE A 36 1.040 -1.452 -3.224 1.00 0.34 H new ATOM 0 HG23 ILE A 36 1.238 0.171 -3.928 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.462 2.449 -1.094 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.250 0.832 -0.382 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.582 1.002 -2.122 1.00 0.40 H new ATOM 498 N VAL A 37 -1.726 -1.335 -3.271 1.00 0.25 N ATOM 499 CA VAL A 37 -2.364 -2.609 -3.568 1.00 0.25 C ATOM 500 C VAL A 37 -1.734 -3.246 -4.802 1.00 0.23 C ATOM 501 O VAL A 37 -1.508 -2.577 -5.807 1.00 0.26 O ATOM 502 CB VAL A 37 -3.890 -2.454 -3.791 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.577 -1.970 -2.523 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.187 -1.501 -4.944 1.00 0.31 C ATOM 0 H VAL A 37 -1.689 -0.688 -4.059 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.210 -3.253 -2.702 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.284 -3.437 -4.049 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.647 -1.869 -2.705 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.411 -2.690 -1.722 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.166 -1.003 -2.233 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.266 -1.414 -5.075 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.768 -0.520 -4.722 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.740 -1.888 -5.860 1.00 0.31 H new ATOM 514 N ALA A 38 -1.437 -4.533 -4.719 1.00 0.20 N ATOM 515 CA ALA A 38 -0.844 -5.253 -5.836 1.00 0.21 C ATOM 516 C ALA A 38 -1.862 -5.439 -6.950 1.00 0.27 C ATOM 517 O ALA A 38 -3.036 -5.690 -6.681 1.00 0.33 O ATOM 518 CB ALA A 38 -0.314 -6.603 -5.373 1.00 0.26 C ATOM 0 H ALA A 38 -1.597 -5.102 -3.888 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.011 -4.666 -6.223 1.00 0.21 H new ATOM 0 HB1 ALA A 38 0.127 -7.130 -6.219 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.444 -6.452 -4.605 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.133 -7.194 -4.963 1.00 0.26 H new ATOM 524 N ARG A 39 -1.438 -5.257 -8.198 1.00 0.41 N ATOM 525 CA ARG A 39 -2.355 -5.392 -9.324 1.00 0.56 C ATOM 526 C ARG A 39 -2.869 -6.828 -9.416 1.00 0.54 C ATOM 527 O ARG A 39 -4.047 -7.060 -9.685 1.00 0.60 O ATOM 528 CB ARG A 39 -1.708 -4.964 -10.650 1.00 0.77 C ATOM 529 CG ARG A 39 -0.624 -5.902 -11.161 1.00 0.96 C ATOM 530 CD ARG A 39 -0.553 -5.873 -12.680 1.00 1.49 C ATOM 531 NE ARG A 39 0.433 -6.816 -13.208 1.00 2.48 N ATOM 532 CZ ARG A 39 1.740 -6.579 -13.285 1.00 3.10 C ATOM 533 NH1 ARG A 39 2.227 -5.379 -12.999 1.00 3.10 N ATOM 534 NH2 ARG A 39 2.559 -7.537 -13.693 1.00 4.14 N ATOM 0 H ARG A 39 -0.479 -5.019 -8.452 1.00 0.41 H new ATOM 0 HA ARG A 39 -3.196 -4.722 -9.146 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -2.486 -4.883 -11.409 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.280 -3.970 -10.525 1.00 0.77 H new ATOM 0 HG2 ARG A 39 0.340 -5.613 -10.742 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -0.827 -6.918 -10.822 1.00 0.96 H new ATOM 0 HD2 ARG A 39 -1.534 -6.108 -13.092 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -0.302 -4.865 -13.011 1.00 1.49 H new ATOM 0 HE ARG A 39 0.095 -7.719 -13.541 1.00 2.48 H new ATOM 0 HH11 ARG A 39 1.598 -4.627 -12.717 1.00 3.10 H new ATOM 0 HH12 ARG A 39 3.231 -5.208 -13.061 1.00 3.10 H new ATOM 0 HH21 ARG A 39 2.187 -8.452 -13.947 1.00 4.14 H new ATOM 0 HH22 ARG A 39 3.562 -7.359 -13.753 1.00 4.14 H new ATOM 542 N ASN A 40 -2.003 -7.782 -9.097 1.00 0.55 N ATOM 543 CA ASN A 40 -2.384 -9.190 -9.073 1.00 0.64 C ATOM 544 C ASN A 40 -2.982 -9.574 -7.724 1.00 0.58 C ATOM 545 O ASN A 40 -2.664 -10.620 -7.156 1.00 0.87 O ATOM 546 CB ASN A 40 -1.187 -10.082 -9.403 1.00 0.81 C ATOM 547 CG ASN A 40 -0.867 -10.082 -10.885 1.00 1.57 C ATOM 548 OD1 ASN A 40 -1.671 -10.528 -11.702 1.00 2.18 O ATOM 549 ND2 ASN A 40 0.300 -9.570 -11.244 1.00 2.33 N ATOM 0 H ASN A 40 -1.029 -7.606 -8.851 1.00 0.55 H new ATOM 0 HA ASN A 40 -3.147 -9.342 -9.837 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -0.316 -9.740 -8.844 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -1.394 -11.101 -9.077 1.00 0.81 H new ATOM 0 HD21 ASN A 40 0.560 -9.535 -12.230 1.00 2.33 H new ATOM 0 HD22 ASN A 40 0.939 -9.210 -10.535 1.00 2.33 H new ATOM 554 N ALA A 41 -3.899 -8.745 -7.253 1.00 0.46 N ATOM 555 CA ALA A 41 -4.637 -9.019 -6.033 1.00 0.43 C ATOM 556 C ALA A 41 -6.107 -9.191 -6.370 1.00 0.40 C ATOM 557 O ALA A 41 -6.538 -8.805 -7.461 1.00 0.44 O ATOM 558 CB ALA A 41 -4.449 -7.902 -5.014 1.00 0.47 C ATOM 0 H ALA A 41 -4.152 -7.866 -7.705 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.255 -9.937 -5.586 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -5.013 -8.135 -4.111 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.391 -7.809 -4.767 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.808 -6.962 -5.434 1.00 0.47 H new ATOM 564 N ARG A 42 -6.858 -9.805 -5.464 1.00 0.40 N ATOM 565 CA ARG A 42 -8.280 -10.053 -5.686 1.00 0.43 C ATOM 566 C ARG A 42 -9.005 -8.764 -6.047 1.00 0.44 C ATOM 567 O ARG A 42 -8.854 -7.746 -5.364 1.00 0.42 O ATOM 568 CB ARG A 42 -8.932 -10.646 -4.438 1.00 0.50 C ATOM 569 CG ARG A 42 -8.366 -11.983 -4.001 1.00 0.61 C ATOM 570 CD ARG A 42 -9.052 -12.451 -2.732 1.00 1.23 C ATOM 571 NE ARG A 42 -8.520 -13.709 -2.222 1.00 2.10 N ATOM 572 CZ ARG A 42 -9.000 -14.318 -1.141 1.00 2.98 C ATOM 573 NH1 ARG A 42 -10.047 -13.815 -0.499 1.00 3.25 N ATOM 574 NH2 ARG A 42 -8.449 -15.447 -0.719 1.00 3.98 N ATOM 0 H ARG A 42 -6.507 -10.141 -4.567 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.360 -10.761 -6.511 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.826 -9.936 -3.617 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -10.000 -10.762 -4.623 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -8.504 -12.721 -4.791 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -7.293 -11.894 -3.832 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -8.948 -11.683 -1.966 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -10.119 -12.567 -2.925 1.00 1.23 H new ATOM 0 HE ARG A 42 -7.742 -14.143 -2.718 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -10.487 -12.958 -0.834 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -10.412 -14.285 0.329 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -7.658 -15.848 -1.223 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -8.816 -15.915 0.110 1.00 3.98 H new ATOM 582 N PRO A 43 -9.827 -8.793 -7.108 1.00 0.50 N ATOM 583 CA PRO A 43 -10.604 -7.629 -7.542 1.00 0.58 C ATOM 584 C PRO A 43 -11.501 -7.108 -6.426 1.00 0.60 C ATOM 585 O PRO A 43 -11.619 -5.902 -6.224 1.00 0.64 O ATOM 586 CB PRO A 43 -11.446 -8.164 -8.704 1.00 0.67 C ATOM 587 CG PRO A 43 -10.723 -9.375 -9.178 1.00 0.86 C ATOM 588 CD PRO A 43 -10.080 -9.970 -7.959 1.00 0.55 C ATOM 0 HA PRO A 43 -9.968 -6.790 -7.824 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -12.457 -8.410 -8.378 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -11.538 -7.423 -9.498 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -11.409 -10.083 -9.643 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -9.975 -9.116 -9.928 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -10.735 -10.689 -7.468 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -9.157 -10.495 -8.205 1.00 0.55 H new ATOM 590 N ASP A 44 -12.068 -8.039 -5.661 1.00 0.61 N ATOM 591 CA ASP A 44 -12.915 -7.712 -4.517 1.00 0.68 C ATOM 592 C ASP A 44 -12.179 -6.805 -3.543 1.00 0.60 C ATOM 593 O ASP A 44 -12.736 -5.832 -3.034 1.00 0.65 O ATOM 594 CB ASP A 44 -13.336 -8.984 -3.777 1.00 0.77 C ATOM 595 CG ASP A 44 -14.025 -9.993 -4.669 1.00 1.62 C ATOM 596 OD1 ASP A 44 -13.386 -10.485 -5.621 1.00 2.48 O ATOM 597 OD2 ASP A 44 -15.219 -10.283 -4.436 1.00 2.04 O ATOM 0 H ASP A 44 -11.953 -9.040 -5.817 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.798 -7.199 -4.898 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -12.455 -9.445 -3.331 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -14.004 -8.716 -2.959 1.00 0.77 H new ATOM 600 N ILE A 45 -10.926 -7.147 -3.278 1.00 0.50 N ATOM 601 CA ILE A 45 -10.089 -6.377 -2.371 1.00 0.44 C ATOM 602 C ILE A 45 -9.795 -5.002 -2.961 1.00 0.40 C ATOM 603 O ILE A 45 -9.925 -3.983 -2.285 1.00 0.38 O ATOM 604 CB ILE A 45 -8.764 -7.120 -2.071 1.00 0.45 C ATOM 605 CG1 ILE A 45 -9.047 -8.469 -1.401 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.842 -6.276 -1.200 1.00 0.42 C ATOM 607 CD1 ILE A 45 -9.765 -8.356 -0.074 1.00 0.62 C ATOM 0 H ILE A 45 -10.464 -7.961 -3.683 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.632 -6.254 -1.434 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.258 -7.299 -3.020 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.646 -9.080 -2.076 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -8.103 -8.993 -1.249 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.920 -6.825 -1.007 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.608 -5.344 -1.714 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.337 -6.054 -0.255 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -9.929 -9.352 0.337 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -9.159 -7.773 0.619 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.725 -7.861 -0.221 1.00 0.62 H new ATOM 617 N LYS A 46 -9.459 -4.983 -4.247 1.00 0.45 N ATOM 618 CA LYS A 46 -9.171 -3.739 -4.951 1.00 0.50 C ATOM 619 C LYS A 46 -10.366 -2.794 -4.953 1.00 0.52 C ATOM 620 O LYS A 46 -10.232 -1.628 -4.585 1.00 0.51 O ATOM 621 CB LYS A 46 -8.757 -4.030 -6.391 1.00 0.58 C ATOM 622 CG LYS A 46 -7.326 -4.510 -6.535 1.00 0.59 C ATOM 623 CD LYS A 46 -6.968 -4.726 -7.994 1.00 0.74 C ATOM 624 CE LYS A 46 -5.474 -4.618 -8.217 1.00 1.09 C ATOM 625 NZ LYS A 46 -4.951 -3.290 -7.804 1.00 1.59 N ATOM 0 H LYS A 46 -9.379 -5.820 -4.825 1.00 0.45 H new ATOM 0 HA LYS A 46 -8.353 -3.252 -4.420 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.426 -4.784 -6.805 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -8.888 -3.126 -6.986 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.648 -3.779 -6.095 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -7.194 -5.440 -5.983 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -7.315 -5.708 -8.314 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -7.484 -3.989 -8.610 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -4.965 -5.401 -7.655 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -5.250 -4.786 -9.271 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -4.027 -3.127 -8.251 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -5.616 -2.547 -8.101 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -4.844 -3.265 -6.770 1.00 1.59 H new ATOM 631 N GLU A 47 -11.515 -3.287 -5.405 1.00 0.59 N ATOM 632 CA GLU A 47 -12.711 -2.459 -5.522 1.00 0.65 C ATOM 633 C GLU A 47 -13.105 -1.873 -4.176 1.00 0.55 C ATOM 634 O GLU A 47 -13.489 -0.709 -4.083 1.00 0.55 O ATOM 635 CB GLU A 47 -13.885 -3.275 -6.070 1.00 0.79 C ATOM 636 CG GLU A 47 -13.667 -3.832 -7.465 1.00 1.15 C ATOM 637 CD GLU A 47 -14.852 -4.644 -7.945 1.00 1.76 C ATOM 638 OE1 GLU A 47 -15.210 -5.637 -7.277 1.00 2.60 O ATOM 639 OE2 GLU A 47 -15.427 -4.302 -9.000 1.00 2.06 O ATOM 0 H GLU A 47 -11.643 -4.256 -5.696 1.00 0.59 H new ATOM 0 HA GLU A 47 -12.477 -1.648 -6.212 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -14.085 -4.102 -5.389 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -14.776 -2.646 -6.078 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -13.486 -3.011 -8.159 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -12.774 -4.457 -7.470 1.00 1.15 H new ATOM 642 N ASP A 48 -13.077 -2.706 -3.148 1.00 0.50 N ATOM 643 CA ASP A 48 -13.520 -2.291 -1.827 1.00 0.47 C ATOM 644 C ASP A 48 -12.588 -1.239 -1.238 1.00 0.35 C ATOM 645 O ASP A 48 -13.035 -0.169 -0.820 1.00 0.36 O ATOM 646 CB ASP A 48 -13.621 -3.503 -0.902 1.00 0.55 C ATOM 647 CG ASP A 48 -14.369 -3.196 0.378 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.420 -2.527 0.311 1.00 1.21 O ATOM 649 OD2 ASP A 48 -13.874 -3.567 1.465 1.00 1.00 O ATOM 0 H ASP A 48 -12.753 -3.672 -3.203 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.508 -1.840 -1.924 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -14.124 -4.315 -1.427 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -12.618 -3.854 -0.658 1.00 0.55 H new ATOM 652 N ILE A 49 -11.286 -1.514 -1.279 1.00 0.29 N ATOM 653 CA ILE A 49 -10.292 -0.575 -0.768 1.00 0.24 C ATOM 654 C ILE A 49 -10.310 0.738 -1.542 1.00 0.26 C ATOM 655 O ILE A 49 -10.385 1.807 -0.945 1.00 0.26 O ATOM 656 CB ILE A 49 -8.859 -1.159 -0.815 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.743 -2.374 0.105 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.834 -0.100 -0.423 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.374 -3.018 0.092 1.00 0.36 C ATOM 0 H ILE A 49 -10.896 -2.376 -1.660 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.564 -0.389 0.271 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.655 -1.477 -1.837 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.983 -2.071 1.124 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.486 -3.115 -0.190 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.833 -0.530 -0.462 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.895 0.740 -1.115 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -8.040 0.248 0.589 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.368 -3.873 0.768 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -7.139 -3.353 -0.918 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.628 -2.293 0.417 1.00 0.36 H new ATOM 669 N GLU A 50 -10.211 0.658 -2.865 1.00 0.31 N ATOM 670 CA GLU A 50 -10.145 1.857 -3.690 1.00 0.39 C ATOM 671 C GLU A 50 -11.396 2.709 -3.546 1.00 0.43 C ATOM 672 O GLU A 50 -11.302 3.905 -3.284 1.00 0.48 O ATOM 673 CB GLU A 50 -9.924 1.499 -5.159 1.00 0.46 C ATOM 674 CG GLU A 50 -8.524 0.988 -5.454 1.00 0.61 C ATOM 675 CD GLU A 50 -8.279 0.768 -6.930 1.00 1.15 C ATOM 676 OE1 GLU A 50 -8.930 -0.122 -7.517 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.437 1.483 -7.516 1.00 1.57 O ATOM 0 H GLU A 50 -10.175 -0.219 -3.385 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.295 2.441 -3.337 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.649 0.740 -5.453 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -10.118 2.379 -5.772 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.794 1.701 -5.072 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.364 0.051 -4.920 1.00 0.61 H new ATOM 680 N TYR A 51 -12.562 2.086 -3.660 1.00 0.44 N ATOM 681 CA TYR A 51 -13.826 2.806 -3.545 1.00 0.52 C ATOM 682 C TYR A 51 -13.940 3.494 -2.189 1.00 0.47 C ATOM 683 O TYR A 51 -14.240 4.686 -2.114 1.00 0.51 O ATOM 684 CB TYR A 51 -15.001 1.846 -3.760 1.00 0.61 C ATOM 685 CG TYR A 51 -16.362 2.459 -3.517 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.718 3.650 -4.132 1.00 0.78 C ATOM 687 CD2 TYR A 51 -17.290 1.849 -2.682 1.00 0.77 C ATOM 688 CE1 TYR A 51 -17.956 4.218 -3.925 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.535 2.412 -2.471 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.863 3.572 -3.046 1.00 0.91 C ATOM 691 OH TYR A 51 -20.100 4.160 -2.900 1.00 1.03 O ATOM 0 H TYR A 51 -12.660 1.085 -3.832 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.854 3.576 -4.316 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.963 1.468 -4.782 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.879 0.988 -3.099 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -16.012 4.141 -4.785 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -17.035 0.922 -2.191 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.231 5.137 -4.422 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -19.249 1.909 -1.835 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.641 3.633 -2.276 1.00 1.03 H new ATOM 699 N TYR A 52 -13.677 2.750 -1.126 1.00 0.43 N ATOM 700 CA TYR A 52 -13.774 3.289 0.224 1.00 0.42 C ATOM 701 C TYR A 52 -12.710 4.350 0.492 1.00 0.38 C ATOM 702 O TYR A 52 -13.006 5.401 1.064 1.00 0.41 O ATOM 703 CB TYR A 52 -13.686 2.160 1.246 1.00 0.47 C ATOM 704 CG TYR A 52 -15.015 1.482 1.501 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.941 1.306 0.480 1.00 0.81 C ATOM 706 CD2 TYR A 52 -15.349 1.038 2.767 1.00 0.97 C ATOM 707 CE1 TYR A 52 -17.160 0.702 0.717 1.00 0.89 C ATOM 708 CE2 TYR A 52 -16.567 0.434 3.017 1.00 1.09 C ATOM 709 CZ TYR A 52 -17.470 0.268 1.986 1.00 0.84 C ATOM 710 OH TYR A 52 -18.687 -0.331 2.227 1.00 0.97 O ATOM 0 H TYR A 52 -13.395 1.771 -1.171 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.743 3.779 0.320 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.968 1.418 0.897 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -13.302 2.558 2.185 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.703 1.648 -0.517 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -14.645 1.165 3.576 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -17.867 0.571 -0.089 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -16.811 0.094 4.013 1.00 1.09 H new ATOM 0 HH TYR A 52 -18.748 -0.580 3.173 1.00 0.97 H new ATOM 718 N ALA A 53 -11.484 4.093 0.051 1.00 0.33 N ATOM 719 CA ALA A 53 -10.389 5.039 0.238 1.00 0.34 C ATOM 720 C ALA A 53 -10.656 6.340 -0.508 1.00 0.39 C ATOM 721 O ALA A 53 -10.379 7.421 0.006 1.00 0.42 O ATOM 722 CB ALA A 53 -9.068 4.436 -0.213 1.00 0.34 C ATOM 0 H ALA A 53 -11.223 3.237 -0.439 1.00 0.33 H new ATOM 0 HA ALA A 53 -10.323 5.261 1.303 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -8.267 5.161 -0.064 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.859 3.539 0.370 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -9.129 4.175 -1.270 1.00 0.34 H new ATOM 728 N ARG A 54 -11.205 6.228 -1.713 1.00 0.42 N ATOM 729 CA ARG A 54 -11.522 7.398 -2.528 1.00 0.50 C ATOM 730 C ARG A 54 -12.563 8.277 -1.848 1.00 0.51 C ATOM 731 O ARG A 54 -12.462 9.502 -1.882 1.00 0.55 O ATOM 732 CB ARG A 54 -12.016 6.982 -3.916 1.00 0.57 C ATOM 733 CG ARG A 54 -10.935 6.387 -4.811 1.00 1.11 C ATOM 734 CD ARG A 54 -9.893 7.419 -5.206 1.00 1.37 C ATOM 735 NE ARG A 54 -9.051 7.833 -4.084 1.00 2.13 N ATOM 736 CZ ARG A 54 -8.197 8.852 -4.136 1.00 3.01 C ATOM 737 NH1 ARG A 54 -8.028 9.518 -5.270 1.00 3.33 N ATOM 738 NH2 ARG A 54 -7.489 9.178 -3.065 1.00 4.04 N ATOM 0 H ARG A 54 -11.441 5.336 -2.149 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.604 7.974 -2.642 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -12.818 6.253 -3.801 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -12.445 7.852 -4.413 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -10.449 5.561 -4.292 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -11.394 5.973 -5.709 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -9.263 7.009 -5.995 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.394 8.294 -5.621 1.00 1.37 H new ATOM 0 HE ARG A 54 -9.123 7.310 -3.211 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -8.553 9.249 -6.102 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -7.373 10.299 -5.310 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -7.598 8.648 -2.200 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -6.834 9.959 -3.105 1.00 4.04 H new ATOM 746 N LEU A 55 -13.546 7.646 -1.218 1.00 0.50 N ATOM 747 CA LEU A 55 -14.587 8.373 -0.495 1.00 0.55 C ATOM 748 C LEU A 55 -13.977 9.157 0.659 1.00 0.55 C ATOM 749 O LEU A 55 -14.283 10.332 0.863 1.00 0.61 O ATOM 750 CB LEU A 55 -15.632 7.398 0.049 1.00 0.61 C ATOM 751 CG LEU A 55 -16.327 6.536 -1.003 1.00 0.86 C ATOM 752 CD1 LEU A 55 -17.151 5.449 -0.336 1.00 1.31 C ATOM 753 CD2 LEU A 55 -17.204 7.395 -1.898 1.00 1.37 C ATOM 0 H LEU A 55 -13.646 6.631 -1.192 1.00 0.50 H new ATOM 0 HA LEU A 55 -15.067 9.066 -1.186 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -15.150 6.741 0.773 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -16.390 7.966 0.588 1.00 0.61 H new ATOM 0 HG LEU A 55 -15.565 6.061 -1.621 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -17.640 4.843 -1.099 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -16.499 4.817 0.267 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.906 5.906 0.304 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -17.692 6.765 -2.642 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.961 7.895 -1.294 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.590 8.141 -2.401 1.00 1.37 H new ATOM 763 N SER A 56 -13.121 8.484 1.413 1.00 0.52 N ATOM 764 CA SER A 56 -12.469 9.088 2.562 1.00 0.58 C ATOM 765 C SER A 56 -11.469 10.158 2.134 1.00 0.62 C ATOM 766 O SER A 56 -11.567 11.312 2.553 1.00 1.17 O ATOM 767 CB SER A 56 -11.767 8.006 3.382 1.00 0.56 C ATOM 768 OG SER A 56 -12.676 6.978 3.738 1.00 1.28 O ATOM 0 H SER A 56 -12.861 7.512 1.247 1.00 0.52 H new ATOM 0 HA SER A 56 -13.231 9.571 3.174 1.00 0.58 H new ATOM 0 HB2 SER A 56 -10.942 7.586 2.808 1.00 0.56 H new ATOM 0 HB3 SER A 56 -11.337 8.446 4.282 1.00 0.56 H new ATOM 0 HG SER A 56 -12.255 6.105 3.595 1.00 1.28 H new ATOM 772 N GLY A 57 -10.534 9.785 1.269 1.00 0.48 N ATOM 773 CA GLY A 57 -9.532 10.723 0.805 1.00 0.45 C ATOM 774 C GLY A 57 -8.189 10.053 0.589 1.00 0.35 C ATOM 775 O GLY A 57 -7.306 10.607 -0.070 1.00 0.47 O ATOM 0 H GLY A 57 -10.452 8.846 0.880 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.865 11.178 -0.128 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.424 11.528 1.532 1.00 0.45 H new ATOM 779 N ILE A 58 -8.025 8.880 1.193 1.00 0.36 N ATOM 780 CA ILE A 58 -6.772 8.132 1.130 1.00 0.31 C ATOM 781 C ILE A 58 -6.430 7.732 -0.309 1.00 0.32 C ATOM 782 O ILE A 58 -7.275 7.203 -1.032 1.00 0.33 O ATOM 783 CB ILE A 58 -6.847 6.853 1.998 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.257 7.200 3.434 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.510 6.125 1.989 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.389 5.993 4.338 1.00 0.35 C ATOM 0 H ILE A 58 -8.754 8.421 1.739 1.00 0.36 H new ATOM 0 HA ILE A 58 -5.991 8.789 1.513 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.604 6.193 1.573 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.520 7.882 3.858 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.208 7.732 3.412 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.580 5.228 2.604 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.255 5.845 0.967 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.736 6.780 2.389 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.681 6.317 5.337 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.148 5.320 3.938 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.433 5.472 4.391 1.00 0.35 H new ATOM 796 N PRO A 59 -5.193 8.015 -0.747 1.00 0.35 N ATOM 797 CA PRO A 59 -4.714 7.664 -2.083 1.00 0.39 C ATOM 798 C PRO A 59 -4.332 6.187 -2.186 1.00 0.36 C ATOM 799 O PRO A 59 -3.766 5.613 -1.248 1.00 0.37 O ATOM 800 CB PRO A 59 -3.470 8.546 -2.275 1.00 0.45 C ATOM 801 CG PRO A 59 -3.352 9.378 -1.035 1.00 0.46 C ATOM 802 CD PRO A 59 -4.146 8.681 0.028 1.00 0.41 C ATOM 0 HA PRO A 59 -5.482 7.824 -2.840 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.579 7.936 -2.420 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.572 9.176 -3.158 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.309 9.480 -0.735 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -3.734 10.384 -1.206 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.539 7.969 0.587 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.561 9.383 0.751 1.00 0.41 H new ATOM 804 N VAL A 60 -4.630 5.580 -3.326 1.00 0.36 N ATOM 805 CA VAL A 60 -4.293 4.182 -3.558 1.00 0.33 C ATOM 806 C VAL A 60 -3.259 4.051 -4.678 1.00 0.39 C ATOM 807 O VAL A 60 -3.475 4.521 -5.798 1.00 0.50 O ATOM 808 CB VAL A 60 -5.542 3.352 -3.923 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.187 1.884 -4.093 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.626 3.519 -2.869 1.00 0.39 C ATOM 0 H VAL A 60 -5.105 6.034 -4.106 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.874 3.796 -2.629 1.00 0.33 H new ATOM 0 HB VAL A 60 -5.926 3.722 -4.874 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.084 1.320 -4.350 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.451 1.778 -4.890 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.771 1.500 -3.161 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.497 2.926 -3.146 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -6.249 3.182 -1.903 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.909 4.569 -2.801 1.00 0.39 H new ATOM 820 N TYR A 61 -2.146 3.396 -4.375 1.00 0.35 N ATOM 821 CA TYR A 61 -1.091 3.174 -5.355 1.00 0.41 C ATOM 822 C TYR A 61 -1.193 1.770 -5.947 1.00 0.39 C ATOM 823 O TYR A 61 -1.289 0.782 -5.215 1.00 0.32 O ATOM 824 CB TYR A 61 0.290 3.370 -4.715 1.00 0.46 C ATOM 825 CG TYR A 61 1.440 3.181 -5.684 1.00 0.53 C ATOM 826 CD1 TYR A 61 1.627 4.055 -6.748 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.340 2.132 -5.534 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.680 3.893 -7.627 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.394 1.964 -6.410 1.00 0.65 C ATOM 830 CZ TYR A 61 3.540 2.823 -7.473 1.00 0.72 C ATOM 831 OH TYR A 61 4.611 2.686 -8.327 1.00 0.83 O ATOM 0 H TYR A 61 -1.950 3.007 -3.453 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.215 3.903 -6.156 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.345 4.372 -4.290 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.402 2.667 -3.890 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.938 4.874 -6.890 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.212 1.436 -4.718 1.00 0.56 H new ATOM 0 HE1 TYR A 61 2.830 4.599 -8.430 1.00 0.73 H new ATOM 0 HE2 TYR A 61 4.101 1.161 -6.261 1.00 0.65 H new ATOM 0 HH TYR A 61 5.120 1.884 -8.087 1.00 0.83 H new ATOM 839 N GLU A 62 -1.122 1.689 -7.268 1.00 0.49 N ATOM 840 CA GLU A 62 -1.148 0.409 -7.960 1.00 0.52 C ATOM 841 C GLU A 62 0.246 -0.219 -7.954 1.00 0.50 C ATOM 842 O GLU A 62 1.201 0.363 -8.475 1.00 0.59 O ATOM 843 CB GLU A 62 -1.642 0.606 -9.401 1.00 0.68 C ATOM 844 CG GLU A 62 -1.801 -0.685 -10.197 1.00 1.24 C ATOM 845 CD GLU A 62 -2.899 -1.586 -9.660 1.00 1.83 C ATOM 846 OE1 GLU A 62 -2.761 -2.091 -8.524 1.00 2.47 O ATOM 847 OE2 GLU A 62 -3.905 -1.795 -10.363 1.00 2.35 O ATOM 0 H GLU A 62 -1.046 2.498 -7.884 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.833 -0.263 -7.443 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -2.601 1.123 -9.375 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -0.943 1.258 -9.925 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -2.017 -0.439 -11.237 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -0.856 -1.229 -10.188 1.00 1.24 H new ATOM 850 N PHE A 63 0.361 -1.397 -7.363 1.00 0.42 N ATOM 851 CA PHE A 63 1.631 -2.101 -7.316 1.00 0.41 C ATOM 852 C PHE A 63 1.828 -2.940 -8.568 1.00 0.44 C ATOM 853 O PHE A 63 1.064 -3.871 -8.843 1.00 0.42 O ATOM 854 CB PHE A 63 1.730 -2.987 -6.072 1.00 0.41 C ATOM 855 CG PHE A 63 2.988 -3.811 -6.031 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.217 -3.240 -6.317 1.00 0.60 C ATOM 857 CD2 PHE A 63 2.944 -5.154 -5.689 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.374 -3.992 -6.263 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.097 -5.908 -5.634 1.00 0.47 C ATOM 860 CZ PHE A 63 5.310 -5.334 -5.989 1.00 0.53 C ATOM 0 H PHE A 63 -0.411 -1.886 -6.909 1.00 0.42 H new ATOM 0 HA PHE A 63 2.420 -1.351 -7.266 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.685 -2.359 -5.182 1.00 0.41 H new ATOM 0 HB3 PHE A 63 0.867 -3.651 -6.037 1.00 0.41 H new ATOM 0 HD1 PHE A 63 4.271 -2.195 -6.585 1.00 0.60 H new ATOM 0 HD2 PHE A 63 1.994 -5.615 -5.463 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.331 -3.522 -6.437 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.057 -6.939 -5.316 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.200 -5.942 -6.049 1.00 0.53 H new ATOM 868 N GLU A 64 2.895 -2.634 -9.286 1.00 0.61 N ATOM 869 CA GLU A 64 3.266 -3.358 -10.490 1.00 0.70 C ATOM 870 C GLU A 64 3.938 -4.692 -10.153 1.00 0.62 C ATOM 871 O GLU A 64 5.099 -4.916 -10.503 1.00 0.89 O ATOM 872 CB GLU A 64 4.198 -2.491 -11.339 1.00 0.97 C ATOM 873 CG GLU A 64 3.536 -1.234 -11.876 1.00 1.61 C ATOM 874 CD GLU A 64 4.538 -0.217 -12.383 1.00 1.90 C ATOM 875 OE1 GLU A 64 5.392 -0.579 -13.217 1.00 2.46 O ATOM 876 OE2 GLU A 64 4.475 0.952 -11.948 1.00 2.08 O ATOM 0 H GLU A 64 3.531 -1.873 -9.049 1.00 0.61 H new ATOM 0 HA GLU A 64 2.360 -3.579 -11.054 1.00 0.70 H new ATOM 0 HB2 GLU A 64 5.064 -2.208 -10.740 1.00 0.97 H new ATOM 0 HB3 GLU A 64 4.569 -3.082 -12.176 1.00 0.97 H new ATOM 0 HG2 GLU A 64 2.857 -1.503 -12.685 1.00 1.61 H new ATOM 0 HG3 GLU A 64 2.932 -0.782 -11.089 1.00 1.61 H new ATOM 879 N GLY A 65 3.205 -5.580 -9.490 1.00 0.62 N ATOM 880 CA GLY A 65 3.752 -6.881 -9.154 1.00 0.64 C ATOM 881 C GLY A 65 2.721 -7.832 -8.569 1.00 0.62 C ATOM 882 O GLY A 65 1.540 -7.782 -8.926 1.00 0.82 O ATOM 0 H GLY A 65 2.246 -5.423 -9.180 1.00 0.62 H new ATOM 0 HA2 GLY A 65 4.183 -7.329 -10.049 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.565 -6.752 -8.439 1.00 0.64 H new ATOM 886 N THR A 66 3.182 -8.726 -7.699 1.00 0.63 N ATOM 887 CA THR A 66 2.328 -9.747 -7.102 1.00 0.67 C ATOM 888 C THR A 66 2.357 -9.670 -5.576 1.00 0.60 C ATOM 889 O THR A 66 3.243 -9.035 -4.997 1.00 0.56 O ATOM 890 CB THR A 66 2.770 -11.156 -7.546 1.00 0.83 C ATOM 891 OG1 THR A 66 4.196 -11.277 -7.440 1.00 1.53 O ATOM 892 CG2 THR A 66 2.334 -11.444 -8.973 1.00 1.42 C ATOM 0 H THR A 66 4.153 -8.763 -7.389 1.00 0.63 H new ATOM 0 HA THR A 66 1.311 -9.560 -7.446 1.00 0.67 H new ATOM 0 HB THR A 66 2.292 -11.884 -6.890 1.00 0.83 H new ATOM 0 HG1 THR A 66 4.470 -12.175 -7.722 1.00 1.53 H new ATOM 0 HG21 THR A 66 2.660 -12.444 -9.258 1.00 1.42 H new ATOM 0 HG22 THR A 66 1.248 -11.383 -9.041 1.00 1.42 H new ATOM 0 HG23 THR A 66 2.781 -10.712 -9.645 1.00 1.42 H new ATOM 900 N SER A 67 1.377 -10.308 -4.937 1.00 0.61 N ATOM 901 CA SER A 67 1.271 -10.316 -3.480 1.00 0.58 C ATOM 902 C SER A 67 2.522 -10.909 -2.829 1.00 0.56 C ATOM 903 O SER A 67 3.020 -10.389 -1.827 1.00 0.54 O ATOM 904 CB SER A 67 0.035 -11.108 -3.045 1.00 0.67 C ATOM 905 OG SER A 67 -1.149 -10.561 -3.601 1.00 1.25 O ATOM 0 H SER A 67 0.640 -10.830 -5.411 1.00 0.61 H new ATOM 0 HA SER A 67 1.176 -9.282 -3.149 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.139 -12.148 -3.356 1.00 0.67 H new ATOM 0 HB3 SER A 67 -0.037 -11.106 -1.957 1.00 0.67 H new ATOM 0 HG SER A 67 -1.817 -10.441 -2.894 1.00 1.25 H new ATOM 909 N VAL A 68 3.026 -12.001 -3.393 1.00 0.64 N ATOM 910 CA VAL A 68 4.222 -12.648 -2.863 1.00 0.67 C ATOM 911 C VAL A 68 5.436 -11.733 -2.993 1.00 0.58 C ATOM 912 O VAL A 68 6.215 -11.585 -2.051 1.00 0.59 O ATOM 913 CB VAL A 68 4.514 -13.987 -3.575 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.843 -14.574 -3.114 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.386 -14.972 -3.328 1.00 0.97 C ATOM 0 H VAL A 68 2.627 -12.456 -4.214 1.00 0.64 H new ATOM 0 HA VAL A 68 4.031 -12.852 -1.809 1.00 0.67 H new ATOM 0 HB VAL A 68 4.584 -13.794 -4.645 1.00 0.79 H new ATOM 0 HG11 VAL A 68 6.023 -15.516 -3.631 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.648 -13.875 -3.342 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.809 -14.751 -2.039 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.605 -15.911 -3.836 1.00 0.97 H new ATOM 0 HG22 VAL A 68 3.288 -15.152 -2.257 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.453 -14.561 -3.713 1.00 0.97 H new ATOM 925 N GLU A 69 5.574 -11.104 -4.156 1.00 0.57 N ATOM 926 CA GLU A 69 6.689 -10.200 -4.420 1.00 0.55 C ATOM 927 C GLU A 69 6.678 -9.038 -3.429 1.00 0.48 C ATOM 928 O GLU A 69 7.703 -8.698 -2.835 1.00 0.52 O ATOM 929 CB GLU A 69 6.600 -9.670 -5.854 1.00 0.65 C ATOM 930 CG GLU A 69 7.882 -9.026 -6.361 1.00 1.35 C ATOM 931 CD GLU A 69 9.032 -10.009 -6.447 1.00 1.73 C ATOM 932 OE1 GLU A 69 8.863 -11.075 -7.071 1.00 1.82 O ATOM 933 OE2 GLU A 69 10.106 -9.728 -5.876 1.00 2.65 O ATOM 0 H GLU A 69 4.923 -11.205 -4.935 1.00 0.57 H new ATOM 0 HA GLU A 69 7.623 -10.749 -4.300 1.00 0.55 H new ATOM 0 HB2 GLU A 69 6.333 -10.492 -6.518 1.00 0.65 H new ATOM 0 HB3 GLU A 69 5.793 -8.940 -5.910 1.00 0.65 H new ATOM 0 HG2 GLU A 69 7.703 -8.595 -7.346 1.00 1.35 H new ATOM 0 HG3 GLU A 69 8.159 -8.205 -5.699 1.00 1.35 H new ATOM 936 N LEU A 70 5.493 -8.469 -3.227 1.00 0.44 N ATOM 937 CA LEU A 70 5.305 -7.363 -2.297 1.00 0.41 C ATOM 938 C LEU A 70 5.636 -7.788 -0.867 1.00 0.48 C ATOM 939 O LEU A 70 6.406 -7.120 -0.170 1.00 0.56 O ATOM 940 CB LEU A 70 3.858 -6.872 -2.382 1.00 0.41 C ATOM 941 CG LEU A 70 3.520 -5.642 -1.540 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.380 -4.460 -1.955 1.00 0.41 C ATOM 943 CD2 LEU A 70 2.045 -5.304 -1.687 1.00 0.43 C ATOM 0 H LEU A 70 4.639 -8.761 -3.702 1.00 0.44 H new ATOM 0 HA LEU A 70 5.982 -6.554 -2.570 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.631 -6.648 -3.424 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.200 -7.687 -2.080 1.00 0.41 H new ATOM 0 HG LEU A 70 3.728 -5.864 -0.493 1.00 0.38 H new ATOM 0 HD11 LEU A 70 4.126 -3.593 -1.345 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.432 -4.708 -1.813 1.00 0.41 H new ATOM 0 HD13 LEU A 70 4.200 -4.230 -3.005 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.811 -4.426 -1.084 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.822 -5.096 -2.733 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.443 -6.147 -1.349 1.00 0.43 H new ATOM 953 N GLY A 71 5.081 -8.923 -0.453 1.00 0.54 N ATOM 954 CA GLY A 71 5.336 -9.439 0.880 1.00 0.68 C ATOM 955 C GLY A 71 6.804 -9.727 1.117 1.00 0.71 C ATOM 956 O GLY A 71 7.359 -9.347 2.150 1.00 0.84 O ATOM 0 H GLY A 71 4.457 -9.497 -1.020 1.00 0.54 H new ATOM 0 HA2 GLY A 71 4.986 -8.718 1.619 1.00 0.68 H new ATOM 0 HA3 GLY A 71 4.761 -10.353 1.029 1.00 0.68 H new ATOM 960 N THR A 72 7.441 -10.354 0.137 1.00 0.65 N ATOM 961 CA THR A 72 8.861 -10.662 0.211 1.00 0.75 C ATOM 962 C THR A 72 9.686 -9.379 0.309 1.00 0.75 C ATOM 963 O THR A 72 10.661 -9.307 1.061 1.00 0.88 O ATOM 964 CB THR A 72 9.315 -11.480 -1.017 1.00 0.80 C ATOM 965 OG1 THR A 72 8.481 -12.639 -1.165 1.00 1.46 O ATOM 966 CG2 THR A 72 10.767 -11.913 -0.881 1.00 1.12 C ATOM 0 H THR A 72 6.991 -10.661 -0.725 1.00 0.65 H new ATOM 0 HA THR A 72 9.024 -11.260 1.108 1.00 0.75 H new ATOM 0 HB THR A 72 9.225 -10.846 -1.899 1.00 0.80 H new ATOM 0 HG1 THR A 72 7.706 -12.415 -1.721 1.00 1.46 H new ATOM 0 HG21 THR A 72 11.059 -12.487 -1.760 1.00 1.12 H new ATOM 0 HG22 THR A 72 11.403 -11.032 -0.795 1.00 1.12 H new ATOM 0 HG23 THR A 72 10.881 -12.531 0.010 1.00 1.12 H new ATOM 974 N LEU A 73 9.251 -8.348 -0.412 1.00 0.65 N ATOM 975 CA LEU A 73 9.910 -7.049 -0.371 1.00 0.73 C ATOM 976 C LEU A 73 9.809 -6.446 1.026 1.00 0.84 C ATOM 977 O LEU A 73 10.778 -5.884 1.543 1.00 0.97 O ATOM 978 CB LEU A 73 9.293 -6.109 -1.408 1.00 0.71 C ATOM 979 CG LEU A 73 9.951 -4.731 -1.523 1.00 0.91 C ATOM 980 CD1 LEU A 73 11.436 -4.867 -1.813 1.00 1.51 C ATOM 981 CD2 LEU A 73 9.275 -3.914 -2.610 1.00 1.47 C ATOM 0 H LEU A 73 8.443 -8.390 -1.033 1.00 0.65 H new ATOM 0 HA LEU A 73 10.965 -7.185 -0.611 1.00 0.73 H new ATOM 0 HB2 LEU A 73 9.334 -6.595 -2.383 1.00 0.71 H new ATOM 0 HB3 LEU A 73 8.239 -5.970 -1.166 1.00 0.71 H new ATOM 0 HG LEU A 73 9.833 -4.214 -0.571 1.00 0.91 H new ATOM 0 HD11 LEU A 73 11.884 -3.876 -1.891 1.00 1.51 H new ATOM 0 HD12 LEU A 73 11.915 -5.419 -1.005 1.00 1.51 H new ATOM 0 HD13 LEU A 73 11.576 -5.403 -2.752 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.753 -2.937 -2.681 1.00 1.47 H new ATOM 0 HD22 LEU A 73 9.366 -4.432 -3.564 1.00 1.47 H new ATOM 0 HD23 LEU A 73 8.220 -3.785 -2.366 1.00 1.47 H new ATOM 991 N LEU A 74 8.660 -6.635 1.662 1.00 0.84 N ATOM 992 CA LEU A 74 8.459 -6.183 3.035 1.00 1.03 C ATOM 993 C LEU A 74 9.418 -6.886 3.994 1.00 1.24 C ATOM 994 O LEU A 74 9.946 -6.268 4.916 1.00 1.47 O ATOM 995 CB LEU A 74 7.013 -6.414 3.470 1.00 1.01 C ATOM 996 CG LEU A 74 5.986 -5.505 2.797 1.00 0.93 C ATOM 997 CD1 LEU A 74 4.584 -5.853 3.257 1.00 1.79 C ATOM 998 CD2 LEU A 74 6.295 -4.047 3.094 1.00 1.14 C ATOM 0 H LEU A 74 7.851 -7.099 1.249 1.00 0.84 H new ATOM 0 HA LEU A 74 8.669 -5.114 3.068 1.00 1.03 H new ATOM 0 HB2 LEU A 74 6.748 -7.451 3.265 1.00 1.01 H new ATOM 0 HB3 LEU A 74 6.947 -6.276 4.549 1.00 1.01 H new ATOM 0 HG LEU A 74 6.042 -5.660 1.720 1.00 0.93 H new ATOM 0 HD11 LEU A 74 3.866 -5.195 2.767 1.00 1.79 H new ATOM 0 HD12 LEU A 74 4.363 -6.888 2.998 1.00 1.79 H new ATOM 0 HD13 LEU A 74 4.514 -5.726 4.337 1.00 1.79 H new ATOM 0 HD21 LEU A 74 5.555 -3.412 2.608 1.00 1.14 H new ATOM 0 HD22 LEU A 74 6.265 -3.881 4.171 1.00 1.14 H new ATOM 0 HD23 LEU A 74 7.288 -3.801 2.717 1.00 1.14 H new ATOM 1008 N GLY A 75 9.692 -8.159 3.742 1.00 1.24 N ATOM 1009 CA GLY A 75 10.671 -8.868 4.544 1.00 1.50 C ATOM 1010 C GLY A 75 10.341 -10.334 4.715 1.00 1.63 C ATOM 1011 O GLY A 75 11.133 -11.203 4.346 1.00 2.22 O ATOM 0 H GLY A 75 9.258 -8.711 3.002 1.00 1.24 H new ATOM 0 HA2 GLY A 75 11.652 -8.773 4.078 1.00 1.50 H new ATOM 0 HA3 GLY A 75 10.738 -8.399 5.526 1.00 1.50 H new ATOM 1015 N ARG A 76 9.167 -10.609 5.261 1.00 1.47 N ATOM 1016 CA ARG A 76 8.726 -11.981 5.475 1.00 1.63 C ATOM 1017 C ARG A 76 8.277 -12.596 4.160 1.00 1.48 C ATOM 1018 O ARG A 76 7.774 -11.892 3.290 1.00 1.41 O ATOM 1019 CB ARG A 76 7.553 -12.035 6.453 1.00 1.84 C ATOM 1020 CG ARG A 76 7.670 -11.094 7.632 1.00 1.98 C ATOM 1021 CD ARG A 76 8.848 -11.434 8.532 1.00 2.35 C ATOM 1022 NE ARG A 76 8.908 -10.554 9.698 1.00 3.01 N ATOM 1023 CZ ARG A 76 9.294 -9.273 9.666 1.00 3.50 C ATOM 1024 NH1 ARG A 76 9.789 -8.749 8.549 1.00 3.60 N ATOM 1025 NH2 ARG A 76 9.196 -8.524 10.755 1.00 4.36 N ATOM 0 H ARG A 76 8.500 -9.900 5.565 1.00 1.47 H new ATOM 0 HA ARG A 76 9.568 -12.537 5.887 1.00 1.63 H new ATOM 0 HB2 ARG A 76 6.635 -11.805 5.912 1.00 1.84 H new ATOM 0 HB3 ARG A 76 7.456 -13.054 6.827 1.00 1.84 H new ATOM 0 HG2 ARG A 76 7.778 -10.072 7.268 1.00 1.98 H new ATOM 0 HG3 ARG A 76 6.749 -11.130 8.214 1.00 1.98 H new ATOM 0 HD2 ARG A 76 8.767 -12.470 8.861 1.00 2.35 H new ATOM 0 HD3 ARG A 76 9.775 -11.351 7.965 1.00 2.35 H new ATOM 0 HE ARG A 76 8.636 -10.944 10.600 1.00 3.01 H new ATOM 0 HH11 ARG A 76 9.876 -9.324 7.711 1.00 3.60 H new ATOM 0 HH12 ARG A 76 10.082 -7.772 8.530 1.00 3.60 H new ATOM 0 HH21 ARG A 76 8.826 -8.924 11.617 1.00 4.36 H new ATOM 0 HH22 ARG A 76 9.490 -7.548 10.731 1.00 4.36 H new ATOM 1033 N PRO A 77 8.309 -13.930 4.048 1.00 1.57 N ATOM 1034 CA PRO A 77 7.756 -14.620 2.886 1.00 1.60 C ATOM 1035 C PRO A 77 6.226 -14.624 2.916 1.00 1.55 C ATOM 1036 O PRO A 77 5.577 -15.307 2.123 1.00 1.73 O ATOM 1037 CB PRO A 77 8.298 -16.039 3.043 1.00 1.89 C ATOM 1038 CG PRO A 77 8.415 -16.229 4.516 1.00 1.91 C ATOM 1039 CD PRO A 77 8.755 -14.877 5.090 1.00 1.81 C ATOM 0 HA PRO A 77 8.030 -14.148 1.942 1.00 1.60 H new ATOM 0 HB2 PRO A 77 7.625 -16.773 2.600 1.00 1.89 H new ATOM 0 HB3 PRO A 77 9.263 -16.153 2.550 1.00 1.89 H new ATOM 0 HG2 PRO A 77 7.482 -16.606 4.935 1.00 1.91 H new ATOM 0 HG3 PRO A 77 9.189 -16.959 4.754 1.00 1.91 H new ATOM 0 HD2 PRO A 77 8.241 -14.703 6.035 1.00 1.81 H new ATOM 0 HD3 PRO A 77 9.823 -14.783 5.286 1.00 1.81 H new ATOM 1041 N HIS A 78 5.662 -13.832 3.831 1.00 1.55 N ATOM 1042 CA HIS A 78 4.217 -13.706 3.970 1.00 1.56 C ATOM 1043 C HIS A 78 3.640 -12.967 2.774 1.00 1.37 C ATOM 1044 O HIS A 78 4.201 -11.971 2.324 1.00 1.90 O ATOM 1045 CB HIS A 78 3.866 -12.950 5.257 1.00 1.86 C ATOM 1046 CG HIS A 78 4.299 -13.640 6.518 1.00 1.97 C ATOM 1047 ND1 HIS A 78 4.178 -13.065 7.765 1.00 2.84 N ATOM 1048 CD2 HIS A 78 4.852 -14.859 6.724 1.00 1.78 C ATOM 1049 CE1 HIS A 78 4.635 -13.898 8.679 1.00 3.13 C ATOM 1050 NE2 HIS A 78 5.051 -14.992 8.074 1.00 2.47 N ATOM 0 H HIS A 78 6.194 -13.265 4.491 1.00 1.55 H new ATOM 0 HA HIS A 78 3.788 -14.707 4.018 1.00 1.56 H new ATOM 0 HB2 HIS A 78 4.326 -11.962 5.221 1.00 1.86 H new ATOM 0 HB3 HIS A 78 2.787 -12.798 5.292 1.00 1.86 H new ATOM 0 HD2 HIS A 78 5.092 -15.590 5.966 1.00 1.78 H new ATOM 0 HE1 HIS A 78 4.664 -13.715 9.743 1.00 3.13 H new ATOM 0 HE2 HIS A 78 5.456 -15.807 8.536 1.00 2.47 H new ATOM 1057 N THR A 79 2.538 -13.474 2.249 1.00 1.02 N ATOM 1058 CA THR A 79 1.894 -12.863 1.100 1.00 0.90 C ATOM 1059 C THR A 79 1.185 -11.570 1.498 1.00 0.80 C ATOM 1060 O THR A 79 0.329 -11.574 2.384 1.00 1.06 O ATOM 1061 CB THR A 79 0.874 -13.830 0.476 1.00 1.08 C ATOM 1062 OG1 THR A 79 -0.055 -14.266 1.479 1.00 1.25 O ATOM 1063 CG2 THR A 79 1.568 -15.039 -0.131 1.00 1.21 C ATOM 0 H THR A 79 2.070 -14.309 2.601 1.00 1.02 H new ATOM 0 HA THR A 79 2.668 -12.633 0.368 1.00 0.90 H new ATOM 0 HB THR A 79 0.344 -13.302 -0.316 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.269 -13.518 2.074 1.00 1.25 H new ATOM 0 HG21 THR A 79 0.823 -15.706 -0.565 1.00 1.21 H new ATOM 0 HG22 THR A 79 2.258 -14.710 -0.908 1.00 1.21 H new ATOM 0 HG23 THR A 79 2.121 -15.568 0.645 1.00 1.21 H new ATOM 1071 N VAL A 80 1.513 -10.475 0.823 1.00 0.65 N ATOM 1072 CA VAL A 80 0.866 -9.199 1.093 1.00 0.55 C ATOM 1073 C VAL A 80 0.278 -8.625 -0.186 1.00 0.48 C ATOM 1074 O VAL A 80 0.991 -8.401 -1.159 1.00 0.56 O ATOM 1075 CB VAL A 80 1.846 -8.178 1.713 1.00 0.62 C ATOM 1076 CG1 VAL A 80 1.164 -6.835 1.931 1.00 1.16 C ATOM 1077 CG2 VAL A 80 2.407 -8.708 3.023 1.00 1.24 C ATOM 0 H VAL A 80 2.220 -10.446 0.088 1.00 0.65 H new ATOM 0 HA VAL A 80 0.069 -9.385 1.813 1.00 0.55 H new ATOM 0 HB VAL A 80 2.671 -8.031 1.015 1.00 0.62 H new ATOM 0 HG11 VAL A 80 1.874 -6.133 2.368 1.00 1.16 H new ATOM 0 HG12 VAL A 80 0.811 -6.447 0.976 1.00 1.16 H new ATOM 0 HG13 VAL A 80 0.317 -6.962 2.606 1.00 1.16 H new ATOM 0 HG21 VAL A 80 3.095 -7.977 3.446 1.00 1.24 H new ATOM 0 HG22 VAL A 80 1.591 -8.886 3.723 1.00 1.24 H new ATOM 0 HG23 VAL A 80 2.938 -9.642 2.840 1.00 1.24 H new ATOM 1087 N SER A 81 -1.030 -8.433 -0.187 1.00 0.42 N ATOM 1088 CA SER A 81 -1.727 -7.922 -1.354 1.00 0.47 C ATOM 1089 C SER A 81 -1.911 -6.413 -1.258 1.00 0.38 C ATOM 1090 O SER A 81 -1.992 -5.721 -2.272 1.00 0.39 O ATOM 1091 CB SER A 81 -3.081 -8.614 -1.499 1.00 0.55 C ATOM 1092 OG SER A 81 -2.921 -10.023 -1.564 1.00 1.18 O ATOM 0 H SER A 81 -1.633 -8.625 0.613 1.00 0.42 H new ATOM 0 HA SER A 81 -1.124 -8.134 -2.237 1.00 0.47 H new ATOM 0 HB2 SER A 81 -3.720 -8.354 -0.655 1.00 0.55 H new ATOM 0 HB3 SER A 81 -3.582 -8.258 -2.399 1.00 0.55 H new ATOM 0 HG SER A 81 -3.799 -10.448 -1.655 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.012 -5.916 -0.032 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.240 -4.499 0.195 1.00 0.30 C ATOM 1098 C ALA A 82 -1.674 -4.060 1.539 1.00 0.30 C ATOM 1099 O ALA A 82 -1.728 -4.803 2.525 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.726 -4.186 0.115 1.00 0.33 C ATOM 0 H ALA A 82 -1.939 -6.474 0.818 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.721 -3.942 -0.585 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.883 -3.121 0.287 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.102 -4.454 -0.873 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.260 -4.759 0.873 1.00 0.33 H new ATOM 1106 N LEU A 83 -1.106 -2.864 1.560 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.488 -2.322 2.760 1.00 0.31 C ATOM 1108 C LEU A 83 -0.686 -0.811 2.815 1.00 0.28 C ATOM 1109 O LEU A 83 -0.586 -0.128 1.797 1.00 0.30 O ATOM 1110 CB LEU A 83 1.011 -2.673 2.818 1.00 0.37 C ATOM 1111 CG LEU A 83 1.916 -2.013 1.762 1.00 0.44 C ATOM 1112 CD1 LEU A 83 3.379 -2.223 2.116 1.00 0.88 C ATOM 1113 CD2 LEU A 83 1.639 -2.565 0.372 1.00 0.83 C ATOM 0 H LEU A 83 -1.060 -2.245 0.751 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.971 -2.773 3.627 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.386 -2.402 3.805 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.111 -3.754 2.724 1.00 0.37 H new ATOM 0 HG LEU A 83 1.695 -0.946 1.756 1.00 0.44 H new ATOM 0 HD11 LEU A 83 4.007 -1.751 1.361 1.00 0.88 H new ATOM 0 HD12 LEU A 83 3.585 -1.778 3.089 1.00 0.88 H new ATOM 0 HD13 LEU A 83 3.595 -3.291 2.152 1.00 0.88 H new ATOM 0 HD21 LEU A 83 2.295 -2.078 -0.350 1.00 0.83 H new ATOM 0 HD22 LEU A 83 1.824 -3.639 0.364 1.00 0.83 H new ATOM 0 HD23 LEU A 83 0.600 -2.374 0.105 1.00 0.83 H new ATOM 1123 N ALA A 84 -1.062 -0.312 3.983 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.355 1.106 4.142 1.00 0.29 C ATOM 1125 C ALA A 84 -0.299 1.795 5.000 1.00 0.30 C ATOM 1126 O ALA A 84 -0.150 1.485 6.182 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.735 1.289 4.758 1.00 0.35 C ATOM 0 H ALA A 84 -1.171 -0.865 4.833 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.340 1.568 3.155 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.944 2.353 4.873 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.486 0.839 4.108 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.764 0.806 5.735 1.00 0.35 H new ATOM 1133 N VAL A 85 0.402 2.759 4.418 1.00 0.35 N ATOM 1134 CA VAL A 85 1.395 3.519 5.157 1.00 0.42 C ATOM 1135 C VAL A 85 0.719 4.631 5.943 1.00 0.41 C ATOM 1136 O VAL A 85 -0.125 5.356 5.409 1.00 0.46 O ATOM 1137 CB VAL A 85 2.491 4.110 4.230 1.00 0.53 C ATOM 1138 CG1 VAL A 85 2.023 5.346 3.484 1.00 0.69 C ATOM 1139 CG2 VAL A 85 3.757 4.413 5.017 1.00 1.05 C ATOM 0 H VAL A 85 0.300 3.031 3.440 1.00 0.35 H new ATOM 0 HA VAL A 85 1.888 2.832 5.844 1.00 0.42 H new ATOM 0 HB VAL A 85 2.710 3.349 3.481 1.00 0.53 H new ATOM 0 HG11 VAL A 85 2.830 5.716 2.851 1.00 0.69 H new ATOM 0 HG12 VAL A 85 1.163 5.093 2.864 1.00 0.69 H new ATOM 0 HG13 VAL A 85 1.740 6.118 4.200 1.00 0.69 H new ATOM 0 HG21 VAL A 85 4.511 4.826 4.348 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.533 5.136 5.802 1.00 1.05 H new ATOM 0 HG23 VAL A 85 4.135 3.495 5.466 1.00 1.05 H new ATOM 1149 N VAL A 86 1.038 4.712 7.227 1.00 0.44 N ATOM 1150 CA VAL A 86 0.455 5.723 8.095 1.00 0.46 C ATOM 1151 C VAL A 86 1.333 6.967 8.101 1.00 0.47 C ATOM 1152 O VAL A 86 0.845 8.093 7.979 1.00 0.54 O ATOM 1153 CB VAL A 86 0.283 5.203 9.536 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.467 6.214 10.388 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.430 3.860 9.539 1.00 0.53 C ATOM 0 H VAL A 86 1.699 4.088 7.691 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.533 5.969 7.705 1.00 0.46 H new ATOM 0 HB VAL A 86 1.273 5.064 9.969 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.577 5.826 11.401 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.090 7.150 10.417 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.453 6.392 9.959 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.542 3.510 10.565 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.414 3.970 9.084 1.00 0.53 H new ATOM 0 HG23 VAL A 86 0.154 3.137 8.970 1.00 0.53 H new ATOM 1165 N ASP A 87 2.640 6.747 8.153 1.00 0.49 N ATOM 1166 CA ASP A 87 3.604 7.833 8.091 1.00 0.60 C ATOM 1167 C ASP A 87 4.862 7.372 7.371 1.00 0.47 C ATOM 1168 O ASP A 87 5.547 6.458 7.828 1.00 0.62 O ATOM 1169 CB ASP A 87 3.968 8.321 9.497 1.00 0.83 C ATOM 1170 CG ASP A 87 4.928 9.496 9.469 1.00 1.50 C ATOM 1171 OD1 ASP A 87 4.546 10.565 8.946 1.00 1.94 O ATOM 1172 OD2 ASP A 87 6.069 9.357 9.964 1.00 2.15 O ATOM 0 H ASP A 87 3.057 5.820 8.238 1.00 0.49 H new ATOM 0 HA ASP A 87 3.151 8.658 7.542 1.00 0.60 H new ATOM 0 HB2 ASP A 87 3.059 8.610 10.025 1.00 0.83 H new ATOM 0 HB3 ASP A 87 4.417 7.502 10.059 1.00 0.83 H new ATOM 1175 N PRO A 88 5.137 7.949 6.194 1.00 0.45 N ATOM 1176 CA PRO A 88 6.304 7.585 5.387 1.00 0.54 C ATOM 1177 C PRO A 88 7.605 8.136 5.971 1.00 0.93 C ATOM 1178 O PRO A 88 8.670 7.527 5.835 1.00 1.68 O ATOM 1179 CB PRO A 88 6.008 8.226 4.031 1.00 0.69 C ATOM 1180 CG PRO A 88 5.120 9.381 4.339 1.00 0.99 C ATOM 1181 CD PRO A 88 4.310 8.980 5.542 1.00 0.66 C ATOM 0 HA PRO A 88 6.450 6.506 5.339 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.925 8.552 3.540 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.520 7.521 3.359 1.00 0.69 H new ATOM 0 HG2 PRO A 88 5.705 10.277 4.545 1.00 0.99 H new ATOM 0 HG3 PRO A 88 4.472 9.610 3.493 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.131 9.827 6.204 1.00 0.66 H new ATOM 0 HD3 PRO A 88 3.334 8.588 5.255 1.00 0.66 H new ATOM 1183 N GLY A 89 7.523 9.328 6.549 1.00 0.73 N ATOM 1184 CA GLY A 89 8.703 9.994 7.050 1.00 1.09 C ATOM 1185 C GLY A 89 9.503 10.614 5.930 1.00 0.99 C ATOM 1186 O GLY A 89 8.930 11.144 4.982 1.00 1.49 O ATOM 0 H GLY A 89 6.654 9.845 6.679 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.412 10.766 7.762 1.00 1.09 H new ATOM 0 HA3 GLY A 89 9.324 9.280 7.591 1.00 1.09 H new ATOM 1190 N GLU A 90 10.818 10.499 6.000 1.00 0.73 N ATOM 1191 CA GLU A 90 11.680 11.019 4.946 1.00 0.70 C ATOM 1192 C GLU A 90 11.525 10.206 3.667 1.00 0.68 C ATOM 1193 O GLU A 90 11.712 10.725 2.565 1.00 1.07 O ATOM 1194 CB GLU A 90 13.140 11.026 5.397 1.00 0.95 C ATOM 1195 CG GLU A 90 13.426 12.045 6.486 1.00 1.45 C ATOM 1196 CD GLU A 90 13.225 13.477 6.024 1.00 2.32 C ATOM 1197 OE1 GLU A 90 13.030 13.690 4.809 1.00 3.03 O ATOM 1198 OE2 GLU A 90 13.235 14.397 6.874 1.00 2.82 O ATOM 0 H GLU A 90 11.313 10.052 6.772 1.00 0.73 H new ATOM 0 HA GLU A 90 11.376 12.045 4.739 1.00 0.70 H new ATOM 0 HB2 GLU A 90 13.406 10.033 5.759 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.778 11.234 4.538 1.00 0.95 H new ATOM 0 HG2 GLU A 90 12.776 11.849 7.339 1.00 1.45 H new ATOM 0 HG3 GLU A 90 14.452 11.921 6.832 1.00 1.45 H new ATOM 1201 N SER A 91 11.188 8.931 3.827 1.00 0.54 N ATOM 1202 CA SER A 91 11.006 8.031 2.700 1.00 0.53 C ATOM 1203 C SER A 91 9.876 8.511 1.797 1.00 0.49 C ATOM 1204 O SER A 91 8.748 8.708 2.246 1.00 0.57 O ATOM 1205 CB SER A 91 10.713 6.628 3.221 1.00 0.65 C ATOM 1206 OG SER A 91 11.675 6.250 4.193 1.00 1.65 O ATOM 0 H SER A 91 11.035 8.497 4.737 1.00 0.54 H new ATOM 0 HA SER A 91 11.920 8.015 2.107 1.00 0.53 H new ATOM 0 HB2 SER A 91 9.714 6.596 3.657 1.00 0.65 H new ATOM 0 HB3 SER A 91 10.723 5.917 2.395 1.00 0.65 H new ATOM 0 HG SER A 91 11.227 6.084 5.049 1.00 1.65 H new ATOM 1210 N ARG A 92 10.206 8.752 0.537 1.00 0.50 N ATOM 1211 CA ARG A 92 9.250 9.283 -0.422 1.00 0.55 C ATOM 1212 C ARG A 92 8.519 8.169 -1.163 1.00 0.53 C ATOM 1213 O ARG A 92 8.584 8.077 -2.388 1.00 0.68 O ATOM 1214 CB ARG A 92 9.952 10.208 -1.413 1.00 0.72 C ATOM 1215 CG ARG A 92 10.542 11.439 -0.758 1.00 1.39 C ATOM 1216 CD ARG A 92 11.144 12.381 -1.783 1.00 2.08 C ATOM 1217 NE ARG A 92 11.666 13.592 -1.159 1.00 2.69 N ATOM 1218 CZ ARG A 92 12.776 13.638 -0.423 1.00 3.57 C ATOM 1219 NH1 ARG A 92 13.541 12.557 -0.285 1.00 4.00 N ATOM 1220 NH2 ARG A 92 13.121 14.770 0.176 1.00 4.45 N ATOM 0 H ARG A 92 11.136 8.587 0.153 1.00 0.50 H new ATOM 0 HA ARG A 92 8.506 9.854 0.133 1.00 0.55 H new ATOM 0 HB2 ARG A 92 10.745 9.656 -1.917 1.00 0.72 H new ATOM 0 HB3 ARG A 92 9.241 10.517 -2.180 1.00 0.72 H new ATOM 0 HG2 ARG A 92 9.767 11.959 -0.195 1.00 1.39 H new ATOM 0 HG3 ARG A 92 11.309 11.140 -0.043 1.00 1.39 H new ATOM 0 HD2 ARG A 92 11.946 11.872 -2.319 1.00 2.08 H new ATOM 0 HD3 ARG A 92 10.387 12.648 -2.521 1.00 2.08 H new ATOM 0 HE ARG A 92 11.148 14.460 -1.295 1.00 2.69 H new ATOM 0 HH11 ARG A 92 13.279 11.685 -0.745 1.00 4.00 H new ATOM 0 HH12 ARG A 92 14.389 12.601 0.280 1.00 4.00 H new ATOM 0 HH21 ARG A 92 12.538 15.600 0.072 1.00 4.45 H new ATOM 0 HH22 ARG A 92 13.970 14.810 0.740 1.00 4.45 H new ATOM 1228 N ILE A 93 7.771 7.365 -0.424 1.00 0.46 N ATOM 1229 CA ILE A 93 6.969 6.313 -1.031 1.00 0.57 C ATOM 1230 C ILE A 93 5.755 6.915 -1.753 1.00 0.61 C ATOM 1231 O ILE A 93 5.354 6.439 -2.816 1.00 0.70 O ATOM 1232 CB ILE A 93 6.520 5.258 0.012 1.00 0.65 C ATOM 1233 CG1 ILE A 93 5.742 4.122 -0.661 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.688 5.893 1.117 1.00 0.61 C ATOM 1235 CD1 ILE A 93 6.572 3.305 -1.628 1.00 0.97 C ATOM 0 H ILE A 93 7.702 7.420 0.592 1.00 0.46 H new ATOM 0 HA ILE A 93 7.594 5.800 -1.762 1.00 0.57 H new ATOM 0 HB ILE A 93 7.418 4.839 0.466 1.00 0.65 H new ATOM 0 HG12 ILE A 93 5.342 3.462 0.109 1.00 0.89 H new ATOM 0 HG13 ILE A 93 4.890 4.543 -1.194 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.388 5.127 1.833 1.00 0.61 H new ATOM 0 HG22 ILE A 93 6.279 6.654 1.626 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.799 6.353 0.685 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.954 2.520 -2.065 1.00 0.97 H new ATOM 0 HD12 ILE A 93 6.950 3.952 -2.419 1.00 0.97 H new ATOM 0 HD13 ILE A 93 7.410 2.854 -1.097 1.00 0.97 H new ATOM 1245 N LEU A 94 5.230 8.016 -1.213 1.00 0.60 N ATOM 1246 CA LEU A 94 4.101 8.712 -1.828 1.00 0.70 C ATOM 1247 C LEU A 94 4.497 9.394 -3.132 1.00 0.70 C ATOM 1248 O LEU A 94 3.633 9.782 -3.917 1.00 0.78 O ATOM 1249 CB LEU A 94 3.496 9.747 -0.876 1.00 0.85 C ATOM 1250 CG LEU A 94 2.474 9.198 0.120 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.163 8.512 1.287 1.00 1.63 C ATOM 1252 CD2 LEU A 94 1.563 10.310 0.606 1.00 1.15 C ATOM 0 H LEU A 94 5.569 8.444 -0.351 1.00 0.60 H new ATOM 0 HA LEU A 94 3.352 7.951 -2.048 1.00 0.70 H new ATOM 0 HB2 LEU A 94 4.304 10.220 -0.319 1.00 0.85 H new ATOM 0 HB3 LEU A 94 3.018 10.527 -1.469 1.00 0.85 H new ATOM 0 HG LEU A 94 1.865 8.451 -0.390 1.00 0.81 H new ATOM 0 HD11 LEU A 94 2.413 8.131 1.980 1.00 1.63 H new ATOM 0 HD12 LEU A 94 3.768 7.685 0.917 1.00 1.63 H new ATOM 0 HD13 LEU A 94 3.803 9.227 1.803 1.00 1.63 H new ATOM 0 HD21 LEU A 94 0.840 9.905 1.314 1.00 1.15 H new ATOM 0 HD22 LEU A 94 2.159 11.080 1.096 1.00 1.15 H new ATOM 0 HD23 LEU A 94 1.035 10.745 -0.243 1.00 1.15 H new ATOM 1262 N ALA A 95 5.797 9.559 -3.353 1.00 0.66 N ATOM 1263 CA ALA A 95 6.296 10.197 -4.569 1.00 0.75 C ATOM 1264 C ALA A 95 5.815 9.453 -5.809 1.00 0.69 C ATOM 1265 O ALA A 95 5.569 10.056 -6.853 1.00 0.78 O ATOM 1266 CB ALA A 95 7.814 10.267 -4.552 1.00 0.86 C ATOM 0 H ALA A 95 6.526 9.260 -2.706 1.00 0.66 H new ATOM 0 HA ALA A 95 5.901 11.212 -4.603 1.00 0.75 H new ATOM 0 HB1 ALA A 95 8.166 10.745 -5.466 1.00 0.86 H new ATOM 0 HB2 ALA A 95 8.142 10.847 -3.689 1.00 0.86 H new ATOM 0 HB3 ALA A 95 8.224 9.259 -4.489 1.00 0.86 H new ATOM 1272 N LEU A 96 5.652 8.144 -5.671 1.00 0.65 N ATOM 1273 CA LEU A 96 5.166 7.306 -6.760 1.00 0.75 C ATOM 1274 C LEU A 96 3.713 7.637 -7.099 1.00 0.80 C ATOM 1275 O LEU A 96 3.324 7.658 -8.268 1.00 0.98 O ATOM 1276 CB LEU A 96 5.295 5.838 -6.366 1.00 1.12 C ATOM 1277 CG LEU A 96 6.725 5.371 -6.102 1.00 0.80 C ATOM 1278 CD1 LEU A 96 6.725 3.991 -5.475 1.00 1.50 C ATOM 1279 CD2 LEU A 96 7.519 5.365 -7.397 1.00 1.57 C ATOM 0 H LEU A 96 5.851 7.636 -4.809 1.00 0.65 H new ATOM 0 HA LEU A 96 5.769 7.499 -7.647 1.00 0.75 H new ATOM 0 HB2 LEU A 96 4.699 5.663 -5.470 1.00 1.12 H new ATOM 0 HB3 LEU A 96 4.867 5.224 -7.159 1.00 1.12 H new ATOM 0 HG LEU A 96 7.196 6.064 -5.405 1.00 0.80 H new ATOM 0 HD11 LEU A 96 7.752 3.674 -5.294 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.182 4.021 -4.530 1.00 1.50 H new ATOM 0 HD13 LEU A 96 6.241 3.285 -6.150 1.00 1.50 H new ATOM 0 HD21 LEU A 96 8.537 5.031 -7.198 1.00 1.57 H new ATOM 0 HD22 LEU A 96 7.048 4.688 -8.110 1.00 1.57 H new ATOM 0 HD23 LEU A 96 7.543 6.372 -7.814 1.00 1.57 H new ATOM 1289 N GLY A 97 2.964 8.045 -6.083 1.00 0.85 N ATOM 1290 CA GLY A 97 1.613 8.521 -6.292 1.00 1.14 C ATOM 1291 C GLY A 97 1.570 10.033 -6.313 1.00 1.15 C ATOM 1292 O GLY A 97 0.995 10.654 -5.418 1.00 1.79 O ATOM 0 H GLY A 97 3.272 8.054 -5.111 1.00 0.85 H new ATOM 0 HA2 GLY A 97 1.227 8.129 -7.233 1.00 1.14 H new ATOM 0 HA3 GLY A 97 0.964 8.146 -5.500 1.00 1.14 H new ATOM 1296 N GLY A 98 2.338 10.614 -7.229 1.00 1.39 N ATOM 1297 CA GLY A 98 2.530 12.051 -7.254 1.00 2.09 C ATOM 1298 C GLY A 98 1.236 12.830 -7.351 1.00 2.41 C ATOM 1299 O GLY A 98 0.946 13.663 -6.491 1.00 2.85 O ATOM 0 H GLY A 98 2.835 10.108 -7.962 1.00 1.39 H new ATOM 0 HA2 GLY A 98 3.061 12.355 -6.352 1.00 2.09 H new ATOM 0 HA3 GLY A 98 3.166 12.310 -8.101 1.00 2.09 H new ATOM 1303 N LYS A 99 0.456 12.559 -8.391 1.00 2.77 N ATOM 1304 CA LYS A 99 -0.809 13.250 -8.597 1.00 3.51 C ATOM 1305 C LYS A 99 -1.547 12.668 -9.794 1.00 3.72 C ATOM 1306 O LYS A 99 -2.728 12.326 -9.700 1.00 4.18 O ATOM 1307 CB LYS A 99 -0.574 14.751 -8.817 1.00 4.19 C ATOM 1308 CG LYS A 99 -1.854 15.541 -9.047 1.00 4.80 C ATOM 1309 CD LYS A 99 -1.581 17.027 -9.214 1.00 5.32 C ATOM 1310 CE LYS A 99 -1.013 17.641 -7.945 1.00 6.06 C ATOM 1311 NZ LYS A 99 -0.866 19.115 -8.061 1.00 6.70 N ATOM 0 H LYS A 99 0.679 11.865 -9.105 1.00 2.77 H new ATOM 0 HA LYS A 99 -1.418 13.113 -7.703 1.00 3.51 H new ATOM 0 HB2 LYS A 99 -0.055 15.160 -7.950 1.00 4.19 H new ATOM 0 HB3 LYS A 99 0.085 14.885 -9.675 1.00 4.19 H new ATOM 0 HG2 LYS A 99 -2.359 15.163 -9.936 1.00 4.80 H new ATOM 0 HG3 LYS A 99 -2.531 15.388 -8.206 1.00 4.80 H new ATOM 0 HD2 LYS A 99 -0.881 17.178 -10.036 1.00 5.32 H new ATOM 0 HD3 LYS A 99 -2.505 17.539 -9.484 1.00 5.32 H new ATOM 0 HE2 LYS A 99 -1.666 17.406 -7.104 1.00 6.06 H new ATOM 0 HE3 LYS A 99 -0.042 17.195 -7.729 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 -0.476 19.496 -7.175 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 -0.223 19.339 -8.847 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 -1.796 19.543 -8.242 1.00 6.70 H new ATOM 1317 N GLU A 100 -0.857 12.598 -10.924 1.00 3.94 N ATOM 1318 CA GLU A 100 -1.456 12.128 -12.161 1.00 4.63 C ATOM 1319 C GLU A 100 -0.366 11.915 -13.204 1.00 5.04 C ATOM 1320 O GLU A 100 0.414 10.955 -13.050 1.00 5.51 O ATOM 1321 CB GLU A 100 -2.487 13.150 -12.652 1.00 5.26 C ATOM 1322 CG GLU A 100 -3.443 12.622 -13.710 1.00 5.92 C ATOM 1323 CD GLU A 100 -4.578 13.586 -13.991 1.00 6.62 C ATOM 1324 OE1 GLU A 100 -4.591 14.690 -13.406 1.00 6.97 O ATOM 1325 OE2 GLU A 100 -5.460 13.250 -14.811 1.00 7.01 O ATOM 1326 OXT GLU A 100 -0.259 12.727 -14.145 1.00 5.28 O ATOM 0 H GLU A 100 0.124 12.863 -11.007 1.00 3.94 H new ATOM 0 HA GLU A 100 -1.964 11.179 -11.990 1.00 4.63 H new ATOM 0 HB2 GLU A 100 -3.067 13.501 -11.799 1.00 5.26 H new ATOM 0 HB3 GLU A 100 -1.960 14.014 -13.056 1.00 5.26 H new ATOM 0 HG2 GLU A 100 -2.893 12.433 -14.632 1.00 5.92 H new ATOM 0 HG3 GLU A 100 -3.853 11.667 -13.382 1.00 5.92 H new TER 1329 GLU A 100