USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot -177:sc= 1.57 USER MOD Set 1.2: A 100 GLN : amide:sc= 0 K(o=1.6,f=0.0078!) USER MOD Set 2.1: A 59 ASN : amide:sc= -0.64! C(o=0.57!,f=-12!) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 163:sc= 1.21 (180deg=-0.045) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 140:sc= 1.18 (180deg=-0.0448) USER MOD Set 3.2: A 46 ASN : amide:sc= 0.997 K(o=2.2,f=-7.4!) USER MOD Single : A 18 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.98) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 40 THR OG1 : rot -29:sc= 0.77 USER MOD Single : A 42 MET CE :methyl 162:sc= -0.113 (180deg=-0.523) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0587 (180deg=-0.282) USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 1.13 (180deg=0.584) 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 177:sc= -1.41! USER MOD Single : A 72 SER OG : rot 75:sc= 1.03 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -98:sc= 0.589 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.0864!) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -0.59 (180deg=-1.81!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.299 USER MOD Single : A 86 THR OG1 : rot -22:sc= 1.28 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.13) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 91:sc= 0.64 USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 2.24 (180deg=2.19) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc=-0.00259 (180deg=-0.122) USER MOD Single : A 106 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.6) USER MOD Single : A 113 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 115 LYS NZ :NH3+ -132:sc= 0.323 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 0.940 -9.145 9.111 1.00 0.00 N ATOM 2 CA ASN A 18 0.037 -9.926 8.282 1.00 0.00 C ATOM 3 C ASN A 18 -1.331 -9.276 8.220 1.00 0.00 C ATOM 4 O ASN A 18 -2.174 -9.501 9.086 1.00 0.00 O ATOM 5 CB ASN A 18 -0.102 -11.358 8.808 1.00 0.00 C ATOM 6 CG ASN A 18 1.098 -12.231 8.499 1.00 0.00 C ATOM 7 OD1 ASN A 18 1.747 -12.082 7.463 1.00 0.00 O ATOM 8 ND2 ASN A 18 1.407 -13.146 9.404 1.00 0.00 N ATOM 0 HA ASN A 18 0.464 -9.962 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.252 -11.328 9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.993 -11.812 8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.208 -13.760 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.844 -13.238 10.250 1.00 0.00 H new ATOM 15 N TRP A 19 -1.521 -8.429 7.225 1.00 0.00 N ATOM 16 CA TRP A 19 -2.830 -7.866 6.939 1.00 0.00 C ATOM 17 C TRP A 19 -3.788 -8.959 6.449 1.00 0.00 C ATOM 18 O TRP A 19 -3.673 -9.458 5.330 1.00 0.00 O ATOM 19 CB TRP A 19 -2.719 -6.708 5.927 1.00 0.00 C ATOM 20 CG TRP A 19 -1.870 -6.972 4.708 1.00 0.00 C ATOM 21 CD1 TRP A 19 -1.190 -8.113 4.377 1.00 0.00 C ATOM 22 CD2 TRP A 19 -1.609 -6.039 3.653 1.00 0.00 C ATOM 23 NE1 TRP A 19 -0.522 -7.940 3.190 1.00 0.00 N ATOM 24 CE2 TRP A 19 -0.768 -6.675 2.724 1.00 0.00 C ATOM 25 CE3 TRP A 19 -2.011 -4.725 3.410 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -0.316 -6.039 1.570 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -1.567 -4.093 2.262 1.00 0.00 C ATOM 28 CH2 TRP A 19 -0.728 -4.750 1.354 1.00 0.00 C ATOM 0 H TRP A 19 -0.781 -8.114 6.597 1.00 0.00 H new ATOM 0 HA TRP A 19 -3.242 -7.453 7.860 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -3.723 -6.445 5.595 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -2.316 -5.838 6.444 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -1.180 -9.019 4.965 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.062 -8.639 2.730 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.657 -4.210 4.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.335 -6.543 0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.873 -3.076 2.063 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.399 -4.231 0.466 1.00 0.00 H new ATOM 39 N ASP A 20 -4.722 -9.337 7.314 1.00 0.00 N ATOM 40 CA ASP A 20 -5.620 -10.460 7.042 1.00 0.00 C ATOM 41 C ASP A 20 -6.751 -10.054 6.098 1.00 0.00 C ATOM 42 O ASP A 20 -6.911 -8.876 5.792 1.00 0.00 O ATOM 43 CB ASP A 20 -6.209 -11.008 8.348 1.00 0.00 C ATOM 44 CG ASP A 20 -5.155 -11.480 9.335 1.00 0.00 C ATOM 45 OD1 ASP A 20 -4.292 -12.297 8.952 1.00 0.00 O ATOM 46 OD2 ASP A 20 -5.208 -11.052 10.512 1.00 0.00 O ATOM 0 H ASP A 20 -4.880 -8.882 8.213 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.031 -11.239 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.815 -10.233 8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.877 -11.838 8.117 1.00 0.00 H new ATOM 51 N ASP A 21 -7.541 -11.047 5.672 1.00 0.00 N ATOM 52 CA ASP A 21 -8.632 -10.853 4.700 1.00 0.00 C ATOM 53 C ASP A 21 -9.523 -9.676 5.068 1.00 0.00 C ATOM 54 O ASP A 21 -9.662 -8.718 4.306 1.00 0.00 O ATOM 55 CB ASP A 21 -9.494 -12.117 4.625 1.00 0.00 C ATOM 56 CG ASP A 21 -10.679 -11.984 3.679 1.00 0.00 C ATOM 57 OD1 ASP A 21 -11.757 -11.532 4.125 1.00 0.00 O ATOM 58 OD2 ASP A 21 -10.548 -12.356 2.495 1.00 0.00 O ATOM 0 H ASP A 21 -7.444 -12.011 5.990 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.170 -10.646 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.873 -12.953 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.860 -12.358 5.623 1.00 0.00 H new ATOM 63 N ALA A 22 -10.133 -9.759 6.234 1.00 0.00 N ATOM 64 CA ALA A 22 -11.025 -8.717 6.702 1.00 0.00 C ATOM 65 C ALA A 22 -10.225 -7.556 7.269 1.00 0.00 C ATOM 66 O ALA A 22 -10.564 -6.388 7.069 1.00 0.00 O ATOM 67 CB ALA A 22 -11.977 -9.278 7.740 1.00 0.00 C ATOM 0 H ALA A 22 -10.026 -10.543 6.878 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.612 -8.346 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.644 -8.488 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.565 -10.082 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.407 -9.668 8.583 1.00 0.00 H new ATOM 73 N ASP A 23 -9.158 -7.903 7.968 1.00 0.00 N ATOM 74 CA ASP A 23 -8.324 -6.934 8.665 1.00 0.00 C ATOM 75 C ASP A 23 -7.792 -5.846 7.729 1.00 0.00 C ATOM 76 O ASP A 23 -7.850 -4.663 8.064 1.00 0.00 O ATOM 77 CB ASP A 23 -7.168 -7.660 9.351 1.00 0.00 C ATOM 78 CG ASP A 23 -6.323 -6.739 10.202 1.00 0.00 C ATOM 79 OD1 ASP A 23 -6.874 -6.090 11.110 1.00 0.00 O ATOM 80 OD2 ASP A 23 -5.100 -6.678 9.980 1.00 0.00 O ATOM 0 H ASP A 23 -8.843 -8.868 8.070 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.942 -6.434 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.566 -8.461 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.538 -8.128 8.594 1.00 0.00 H new ATOM 85 N VAL A 24 -7.301 -6.238 6.551 1.00 0.00 N ATOM 86 CA VAL A 24 -6.727 -5.277 5.606 1.00 0.00 C ATOM 87 C VAL A 24 -7.769 -4.254 5.149 1.00 0.00 C ATOM 88 O VAL A 24 -7.510 -3.049 5.153 1.00 0.00 O ATOM 89 CB VAL A 24 -6.089 -5.974 4.368 1.00 0.00 C ATOM 90 CG1 VAL A 24 -7.105 -6.802 3.591 1.00 0.00 C ATOM 91 CG2 VAL A 24 -5.438 -4.949 3.456 1.00 0.00 C ATOM 0 H VAL A 24 -7.289 -7.206 6.230 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.934 -4.757 6.143 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.325 -6.657 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.616 -7.270 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.518 -7.574 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.909 -6.155 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.998 -5.454 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.189 -4.238 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.659 -4.418 4.003 1.00 0.00 H new ATOM 101 N LYS A 25 -8.955 -4.734 4.793 1.00 0.00 N ATOM 102 CA LYS A 25 -10.023 -3.865 4.321 1.00 0.00 C ATOM 103 C LYS A 25 -10.473 -2.950 5.455 1.00 0.00 C ATOM 104 O LYS A 25 -10.714 -1.761 5.257 1.00 0.00 O ATOM 105 CB LYS A 25 -11.204 -4.709 3.820 1.00 0.00 C ATOM 106 CG LYS A 25 -11.990 -4.093 2.663 1.00 0.00 C ATOM 107 CD LYS A 25 -12.700 -2.801 3.046 1.00 0.00 C ATOM 108 CE LYS A 25 -13.573 -2.301 1.905 1.00 0.00 C ATOM 109 NZ LYS A 25 -14.207 -0.991 2.209 1.00 0.00 N ATOM 0 H LYS A 25 -9.200 -5.724 4.823 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.655 -3.256 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.829 -5.683 3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.886 -4.883 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.310 -3.895 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.726 -4.814 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.313 -2.967 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.964 -2.040 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.969 -2.209 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.349 -3.037 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.791 -0.693 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.805 -1.083 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.468 -0.280 2.383 1.00 0.00 H new ATOM 123 N LYS A 26 -10.546 -3.519 6.649 1.00 0.00 N ATOM 124 CA LYS A 26 -11.025 -2.803 7.819 1.00 0.00 C ATOM 125 C LYS A 26 -10.047 -1.701 8.223 1.00 0.00 C ATOM 126 O LYS A 26 -10.460 -0.591 8.550 1.00 0.00 O ATOM 127 CB LYS A 26 -11.249 -3.784 8.970 1.00 0.00 C ATOM 128 CG LYS A 26 -12.304 -3.327 9.963 1.00 0.00 C ATOM 129 CD LYS A 26 -12.750 -4.474 10.856 1.00 0.00 C ATOM 130 CE LYS A 26 -13.993 -4.113 11.656 1.00 0.00 C ATOM 131 NZ LYS A 26 -14.573 -5.301 12.340 1.00 0.00 N ATOM 0 H LYS A 26 -10.276 -4.485 6.832 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.974 -2.327 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.542 -4.751 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.307 -3.934 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.905 -2.519 10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.163 -2.925 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.953 -5.353 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.942 -4.740 11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.741 -3.354 12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.739 -3.676 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.418 -5.016 12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.837 -6.015 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.870 -5.703 12.992 1.00 0.00 H new ATOM 145 N ARG A 27 -8.751 -2.004 8.191 1.00 0.00 N ATOM 146 CA ARG A 27 -7.731 -1.015 8.544 1.00 0.00 C ATOM 147 C ARG A 27 -7.659 0.097 7.502 1.00 0.00 C ATOM 148 O ARG A 27 -7.504 1.268 7.847 1.00 0.00 O ATOM 149 CB ARG A 27 -6.346 -1.651 8.689 1.00 0.00 C ATOM 150 CG ARG A 27 -6.228 -2.661 9.816 1.00 0.00 C ATOM 151 CD ARG A 27 -4.770 -3.001 10.080 1.00 0.00 C ATOM 152 NE ARG A 27 -4.616 -4.185 10.920 1.00 0.00 N ATOM 153 CZ ARG A 27 -3.997 -4.199 12.096 1.00 0.00 C ATOM 154 NH1 ARG A 27 -3.559 -3.075 12.646 1.00 0.00 N ATOM 155 NH2 ARG A 27 -3.842 -5.347 12.740 1.00 0.00 N ATOM 0 H ARG A 27 -8.383 -2.918 7.927 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.027 -0.595 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.086 -2.141 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.613 -0.860 8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.683 -2.259 10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.777 -3.567 9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.261 -3.164 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.284 -2.152 10.561 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.011 -5.062 10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.696 -2.185 12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.086 -3.100 13.549 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.197 -6.212 12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.368 -5.365 13.643 1.00 0.00 H new ATOM 169 N TRP A 28 -7.765 -0.271 6.229 1.00 0.00 N ATOM 170 CA TRP A 28 -7.698 0.707 5.147 1.00 0.00 C ATOM 171 C TRP A 28 -8.910 1.634 5.212 1.00 0.00 C ATOM 172 O TRP A 28 -8.801 2.845 5.017 1.00 0.00 O ATOM 173 CB TRP A 28 -7.639 -0.006 3.793 1.00 0.00 C ATOM 174 CG TRP A 28 -6.938 0.784 2.731 1.00 0.00 C ATOM 175 CD1 TRP A 28 -5.599 0.778 2.468 1.00 0.00 C ATOM 176 CD2 TRP A 28 -7.527 1.693 1.791 1.00 0.00 C ATOM 177 NE1 TRP A 28 -5.319 1.627 1.428 1.00 0.00 N ATOM 178 CE2 TRP A 28 -6.485 2.201 0.994 1.00 0.00 C ATOM 179 CE3 TRP A 28 -8.834 2.129 1.545 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -6.705 3.119 -0.029 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -9.053 3.041 0.528 1.00 0.00 C ATOM 182 CH2 TRP A 28 -7.994 3.527 -0.249 1.00 0.00 C ATOM 0 H TRP A 28 -7.897 -1.235 5.922 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.793 1.304 5.261 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.132 -0.963 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.654 -0.224 3.462 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.866 0.190 3.001 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.392 1.803 1.040 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -9.657 1.760 2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.889 3.496 -0.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -10.058 3.384 0.330 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.198 4.237 -1.037 1.00 0.00 H new ATOM 193 N ASP A 29 -10.062 1.046 5.499 1.00 0.00 N ATOM 194 CA ASP A 29 -11.296 1.801 5.695 1.00 0.00 C ATOM 195 C ASP A 29 -11.187 2.684 6.933 1.00 0.00 C ATOM 196 O ASP A 29 -11.637 3.830 6.938 1.00 0.00 O ATOM 197 CB ASP A 29 -12.481 0.845 5.827 1.00 0.00 C ATOM 198 CG ASP A 29 -13.809 1.563 5.927 1.00 0.00 C ATOM 199 OD1 ASP A 29 -14.424 1.829 4.872 1.00 0.00 O ATOM 200 OD2 ASP A 29 -14.255 1.837 7.057 1.00 0.00 O ATOM 0 H ASP A 29 -10.170 0.037 5.603 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.457 2.441 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.499 0.176 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.343 0.223 6.711 1.00 0.00 H new ATOM 205 N ALA A 30 -10.606 2.117 7.987 1.00 0.00 N ATOM 206 CA ALA A 30 -10.384 2.813 9.255 1.00 0.00 C ATOM 207 C ALA A 30 -9.816 4.219 9.060 1.00 0.00 C ATOM 208 O ALA A 30 -10.203 5.141 9.773 1.00 0.00 O ATOM 209 CB ALA A 30 -9.471 2.000 10.159 1.00 0.00 C ATOM 0 H ALA A 30 -10.272 1.153 7.987 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.359 2.921 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.318 2.534 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.929 1.032 10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.511 1.850 9.666 1.00 0.00 H new ATOM 215 N PHE A 31 -8.877 4.380 8.128 1.00 0.00 N ATOM 216 CA PHE A 31 -8.301 5.698 7.838 1.00 0.00 C ATOM 217 C PHE A 31 -9.391 6.732 7.546 1.00 0.00 C ATOM 218 O PHE A 31 -9.254 7.904 7.885 1.00 0.00 O ATOM 219 CB PHE A 31 -7.334 5.626 6.652 1.00 0.00 C ATOM 220 CG PHE A 31 -6.024 4.963 6.971 1.00 0.00 C ATOM 221 CD1 PHE A 31 -4.998 5.679 7.568 1.00 0.00 C ATOM 222 CD2 PHE A 31 -5.813 3.631 6.666 1.00 0.00 C ATOM 223 CE1 PHE A 31 -3.789 5.075 7.856 1.00 0.00 C ATOM 224 CE2 PHE A 31 -4.607 3.021 6.950 1.00 0.00 C ATOM 225 CZ PHE A 31 -3.593 3.744 7.545 1.00 0.00 C ATOM 0 H PHE A 31 -8.499 3.620 7.562 1.00 0.00 H new ATOM 0 HA PHE A 31 -7.753 6.010 8.727 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.814 5.085 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.140 6.637 6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.145 6.721 7.811 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.602 3.060 6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.998 5.643 8.324 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.457 1.979 6.707 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.648 3.270 7.767 1.00 0.00 H new ATOM 235 N THR A 32 -10.476 6.286 6.929 1.00 0.00 N ATOM 236 CA THR A 32 -11.583 7.170 6.592 1.00 0.00 C ATOM 237 C THR A 32 -12.571 7.282 7.760 1.00 0.00 C ATOM 238 O THR A 32 -13.074 8.364 8.064 1.00 0.00 O ATOM 239 CB THR A 32 -12.324 6.657 5.340 1.00 0.00 C ATOM 240 OG1 THR A 32 -11.374 6.309 4.321 1.00 0.00 O ATOM 241 CG2 THR A 32 -13.279 7.709 4.799 1.00 0.00 C ATOM 0 H THR A 32 -10.614 5.314 6.651 1.00 0.00 H new ATOM 0 HA THR A 32 -11.168 8.157 6.386 1.00 0.00 H new ATOM 0 HB THR A 32 -12.902 5.778 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.849 5.982 3.529 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.787 7.320 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.016 7.958 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.719 8.605 4.530 1.00 0.00 H new ATOM 249 N LYS A 33 -12.845 6.156 8.405 1.00 0.00 N ATOM 250 CA LYS A 33 -13.814 6.103 9.496 1.00 0.00 C ATOM 251 C LYS A 33 -13.239 6.623 10.808 1.00 0.00 C ATOM 252 O LYS A 33 -13.712 7.619 11.358 1.00 0.00 O ATOM 253 CB LYS A 33 -14.304 4.668 9.688 1.00 0.00 C ATOM 254 CG LYS A 33 -15.405 4.277 8.725 1.00 0.00 C ATOM 255 CD LYS A 33 -16.653 5.103 8.969 1.00 0.00 C ATOM 256 CE LYS A 33 -17.740 4.791 7.953 1.00 0.00 C ATOM 257 NZ LYS A 33 -18.929 5.666 8.125 1.00 0.00 N ATOM 0 H LYS A 33 -12.407 5.260 8.191 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.646 6.751 9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.464 3.985 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.665 4.548 10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.064 4.419 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.636 3.218 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.027 4.909 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.403 6.163 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.341 4.914 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.040 3.748 8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.646 5.421 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.325 5.530 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.648 6.660 8.006 1.00 0.00 H new ATOM 271 N PHE A 34 -12.222 5.943 11.298 1.00 0.00 N ATOM 272 CA PHE A 34 -11.678 6.215 12.617 1.00 0.00 C ATOM 273 C PHE A 34 -10.624 7.319 12.556 1.00 0.00 C ATOM 274 O PHE A 34 -10.533 8.150 13.458 1.00 0.00 O ATOM 275 CB PHE A 34 -11.076 4.931 13.195 1.00 0.00 C ATOM 276 CG PHE A 34 -10.689 5.035 14.640 1.00 0.00 C ATOM 277 CD1 PHE A 34 -11.641 4.885 15.636 1.00 0.00 C ATOM 278 CD2 PHE A 34 -9.377 5.281 15.001 1.00 0.00 C ATOM 279 CE1 PHE A 34 -11.287 4.979 16.969 1.00 0.00 C ATOM 280 CE2 PHE A 34 -9.016 5.377 16.331 1.00 0.00 C ATOM 281 CZ PHE A 34 -9.972 5.227 17.317 1.00 0.00 C ATOM 0 H PHE A 34 -11.750 5.190 10.798 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.483 6.559 13.266 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -11.796 4.121 13.080 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.195 4.660 12.612 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.669 4.693 15.368 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.626 5.399 14.234 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.036 4.859 17.737 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.988 5.569 16.600 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.693 5.303 18.357 1.00 0.00 H new ATOM 291 N GLY A 35 -9.834 7.321 11.490 1.00 0.00 N ATOM 292 CA GLY A 35 -8.792 8.323 11.342 1.00 0.00 C ATOM 293 C GLY A 35 -7.418 7.775 11.674 1.00 0.00 C ATOM 294 O GLY A 35 -6.406 8.422 11.411 1.00 0.00 O ATOM 0 H GLY A 35 -9.895 6.649 10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.794 8.698 10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.010 9.170 11.992 1.00 0.00 H new ATOM 298 N ALA A 36 -7.398 6.583 12.271 1.00 0.00 N ATOM 299 CA ALA A 36 -6.159 5.887 12.614 1.00 0.00 C ATOM 300 C ALA A 36 -5.331 6.695 13.605 1.00 0.00 C ATOM 301 O ALA A 36 -4.255 7.196 13.283 1.00 0.00 O ATOM 302 CB ALA A 36 -5.346 5.562 11.367 1.00 0.00 C ATOM 0 H ALA A 36 -8.242 6.073 12.530 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.431 4.946 13.092 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.431 5.045 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.932 4.923 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.093 6.486 10.847 1.00 0.00 H new ATOM 308 N ALA A 37 -5.844 6.810 14.824 1.00 0.00 N ATOM 309 CA ALA A 37 -5.165 7.563 15.869 1.00 0.00 C ATOM 310 C ALA A 37 -4.027 6.744 16.474 1.00 0.00 C ATOM 311 O ALA A 37 -3.244 7.244 17.283 1.00 0.00 O ATOM 312 CB ALA A 37 -6.153 7.984 16.949 1.00 0.00 C ATOM 0 H ALA A 37 -6.728 6.391 15.112 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.738 8.460 15.421 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.629 8.546 17.722 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.929 8.610 16.508 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.609 7.098 17.390 1.00 0.00 H new ATOM 318 N THR A 38 -3.953 5.481 16.080 1.00 0.00 N ATOM 319 CA THR A 38 -2.906 4.587 16.542 1.00 0.00 C ATOM 320 C THR A 38 -1.716 4.597 15.584 1.00 0.00 C ATOM 321 O THR A 38 -0.598 4.245 15.960 1.00 0.00 O ATOM 322 CB THR A 38 -3.450 3.154 16.684 1.00 0.00 C ATOM 323 OG1 THR A 38 -4.304 2.849 15.570 1.00 0.00 O ATOM 324 CG2 THR A 38 -4.228 2.994 17.982 1.00 0.00 C ATOM 0 H THR A 38 -4.615 5.050 15.434 1.00 0.00 H new ATOM 0 HA THR A 38 -2.568 4.940 17.517 1.00 0.00 H new ATOM 0 HB THR A 38 -2.605 2.465 16.701 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.648 1.936 15.662 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.602 1.973 18.059 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.573 3.205 18.827 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.067 3.689 17.991 1.00 0.00 H new ATOM 332 N ALA A 39 -1.964 5.018 14.350 1.00 0.00 N ATOM 333 CA ALA A 39 -0.929 5.079 13.329 1.00 0.00 C ATOM 334 C ALA A 39 -1.190 6.250 12.392 1.00 0.00 C ATOM 335 O ALA A 39 -1.711 6.078 11.293 1.00 0.00 O ATOM 336 CB ALA A 39 -0.862 3.770 12.552 1.00 0.00 C ATOM 0 H ALA A 39 -2.883 5.325 14.031 1.00 0.00 H new ATOM 0 HA ALA A 39 0.034 5.230 13.816 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.082 3.837 11.794 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.634 2.952 13.236 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.822 3.583 12.070 1.00 0.00 H new ATOM 342 N THR A 40 -0.856 7.445 12.853 1.00 0.00 N ATOM 343 CA THR A 40 -1.129 8.654 12.095 1.00 0.00 C ATOM 344 C THR A 40 0.074 9.063 11.237 1.00 0.00 C ATOM 345 O THR A 40 -0.074 9.778 10.244 1.00 0.00 O ATOM 346 CB THR A 40 -1.510 9.802 13.048 1.00 0.00 C ATOM 347 OG1 THR A 40 -2.460 9.324 14.013 1.00 0.00 O ATOM 348 CG2 THR A 40 -2.108 10.979 12.288 1.00 0.00 C ATOM 0 H THR A 40 -0.395 7.603 13.749 1.00 0.00 H new ATOM 0 HA THR A 40 -1.964 8.447 11.426 1.00 0.00 H new ATOM 0 HB THR A 40 -0.604 10.145 13.548 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.985 8.595 13.622 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.366 11.772 12.990 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.381 11.354 11.568 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.006 10.654 11.762 1.00 0.00 H new ATOM 356 N GLU A 41 1.263 8.605 11.607 1.00 0.00 N ATOM 357 CA GLU A 41 2.457 8.950 10.852 1.00 0.00 C ATOM 358 C GLU A 41 2.979 7.753 10.071 1.00 0.00 C ATOM 359 O GLU A 41 3.476 6.787 10.649 1.00 0.00 O ATOM 360 CB GLU A 41 3.565 9.502 11.759 1.00 0.00 C ATOM 361 CG GLU A 41 4.827 9.872 10.986 1.00 0.00 C ATOM 362 CD GLU A 41 5.825 10.663 11.806 1.00 0.00 C ATOM 363 OE1 GLU A 41 5.568 11.854 12.067 1.00 0.00 O ATOM 364 OE2 GLU A 41 6.888 10.115 12.162 1.00 0.00 O ATOM 0 H GLU A 41 1.424 8.002 12.414 1.00 0.00 H new ATOM 0 HA GLU A 41 2.170 9.732 10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.194 10.382 12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.813 8.759 12.517 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.305 8.960 10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.548 10.453 10.107 1.00 0.00 H new ATOM 371 N MET A 42 2.838 7.821 8.759 1.00 0.00 N ATOM 372 CA MET A 42 3.444 6.846 7.875 1.00 0.00 C ATOM 373 C MET A 42 4.662 7.470 7.210 1.00 0.00 C ATOM 374 O MET A 42 4.565 8.536 6.598 1.00 0.00 O ATOM 375 CB MET A 42 2.449 6.366 6.815 1.00 0.00 C ATOM 376 CG MET A 42 3.013 5.287 5.903 1.00 0.00 C ATOM 377 SD MET A 42 3.473 3.789 6.801 1.00 0.00 S ATOM 378 CE MET A 42 1.871 3.250 7.396 1.00 0.00 C ATOM 0 H MET A 42 2.305 8.548 8.281 1.00 0.00 H new ATOM 0 HA MET A 42 3.746 5.978 8.461 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.557 5.983 7.311 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.136 7.216 6.209 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.274 5.037 5.142 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.888 5.677 5.382 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.925 2.200 7.685 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.583 3.850 8.259 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.130 3.371 6.606 1.00 0.00 H new ATOM 388 N THR A 43 5.805 6.822 7.354 1.00 0.00 N ATOM 389 CA THR A 43 7.048 7.345 6.816 1.00 0.00 C ATOM 390 C THR A 43 7.416 6.634 5.522 1.00 0.00 C ATOM 391 O THR A 43 7.198 5.426 5.386 1.00 0.00 O ATOM 392 CB THR A 43 8.200 7.199 7.832 1.00 0.00 C ATOM 393 OG1 THR A 43 8.343 5.828 8.227 1.00 0.00 O ATOM 394 CG2 THR A 43 7.950 8.053 9.067 1.00 0.00 C ATOM 0 H THR A 43 5.898 5.930 7.840 1.00 0.00 H new ATOM 0 HA THR A 43 6.896 8.405 6.611 1.00 0.00 H new ATOM 0 HB THR A 43 9.116 7.538 7.348 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.078 5.748 8.870 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.777 7.932 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.872 9.100 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.022 7.739 9.544 1.00 0.00 H new ATOM 402 N GLY A 44 7.985 7.381 4.581 1.00 0.00 N ATOM 403 CA GLY A 44 8.376 6.814 3.303 1.00 0.00 C ATOM 404 C GLY A 44 9.344 5.657 3.452 1.00 0.00 C ATOM 405 O GLY A 44 9.353 4.744 2.636 1.00 0.00 O ATOM 0 H GLY A 44 8.183 8.376 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.486 6.473 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.834 7.590 2.690 1.00 0.00 H new ATOM 409 N LYS A 45 10.147 5.696 4.511 1.00 0.00 N ATOM 410 CA LYS A 45 11.106 4.633 4.796 1.00 0.00 C ATOM 411 C LYS A 45 10.389 3.303 5.022 1.00 0.00 C ATOM 412 O LYS A 45 10.625 2.322 4.312 1.00 0.00 O ATOM 413 CB LYS A 45 11.937 5.000 6.032 1.00 0.00 C ATOM 414 CG LYS A 45 12.983 3.959 6.414 1.00 0.00 C ATOM 415 CD LYS A 45 13.781 4.387 7.639 1.00 0.00 C ATOM 416 CE LYS A 45 12.903 4.492 8.879 1.00 0.00 C ATOM 417 NZ LYS A 45 12.424 3.163 9.345 1.00 0.00 N ATOM 0 H LYS A 45 10.152 6.457 5.190 1.00 0.00 H new ATOM 0 HA LYS A 45 11.768 4.523 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.437 5.951 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.264 5.150 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.493 3.006 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.661 3.799 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.581 3.669 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.254 5.350 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.464 4.975 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.046 5.129 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.453 3.128 10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.447 3.013 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.036 2.417 8.956 1.00 0.00 H new ATOM 431 N ASN A 46 9.493 3.286 6.004 1.00 0.00 N ATOM 432 CA ASN A 46 8.780 2.067 6.365 1.00 0.00 C ATOM 433 C ASN A 46 7.862 1.624 5.238 1.00 0.00 C ATOM 434 O ASN A 46 7.721 0.431 4.979 1.00 0.00 O ATOM 435 CB ASN A 46 7.969 2.258 7.651 1.00 0.00 C ATOM 436 CG ASN A 46 8.848 2.453 8.870 1.00 0.00 C ATOM 437 OD1 ASN A 46 9.979 1.978 8.916 1.00 0.00 O ATOM 438 ND2 ASN A 46 8.330 3.141 9.877 1.00 0.00 N ATOM 0 H ASN A 46 9.244 4.102 6.563 1.00 0.00 H new ATOM 0 HA ASN A 46 9.526 1.292 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.314 3.122 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.328 1.390 7.805 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.875 3.291 10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.386 3.521 9.803 1.00 0.00 H new ATOM 445 N PHE A 47 7.259 2.589 4.559 1.00 0.00 N ATOM 446 CA PHE A 47 6.312 2.292 3.495 1.00 0.00 C ATOM 447 C PHE A 47 7.028 1.689 2.286 1.00 0.00 C ATOM 448 O PHE A 47 6.538 0.739 1.679 1.00 0.00 O ATOM 449 CB PHE A 47 5.551 3.558 3.100 1.00 0.00 C ATOM 450 CG PHE A 47 4.236 3.276 2.438 1.00 0.00 C ATOM 451 CD1 PHE A 47 3.180 2.764 3.173 1.00 0.00 C ATOM 452 CD2 PHE A 47 4.051 3.522 1.089 1.00 0.00 C ATOM 453 CE1 PHE A 47 1.965 2.500 2.574 1.00 0.00 C ATOM 454 CE2 PHE A 47 2.837 3.260 0.487 1.00 0.00 C ATOM 455 CZ PHE A 47 1.792 2.749 1.229 1.00 0.00 C ATOM 0 H PHE A 47 7.409 3.584 4.726 1.00 0.00 H new ATOM 0 HA PHE A 47 5.596 1.557 3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.380 4.163 3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.170 4.150 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.309 2.569 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.864 3.923 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.150 2.099 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.705 3.455 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.842 2.545 0.758 1.00 0.00 H new ATOM 465 N ASP A 48 8.197 2.234 1.954 1.00 0.00 N ATOM 466 CA ASP A 48 9.011 1.714 0.852 1.00 0.00 C ATOM 467 C ASP A 48 9.360 0.246 1.076 1.00 0.00 C ATOM 468 O ASP A 48 9.315 -0.568 0.154 1.00 0.00 O ATOM 469 CB ASP A 48 10.296 2.541 0.716 1.00 0.00 C ATOM 470 CG ASP A 48 11.308 1.932 -0.237 1.00 0.00 C ATOM 471 OD1 ASP A 48 11.241 2.215 -1.453 1.00 0.00 O ATOM 472 OD2 ASP A 48 12.202 1.195 0.231 1.00 0.00 O ATOM 0 H ASP A 48 8.604 3.038 2.432 1.00 0.00 H new ATOM 0 HA ASP A 48 8.431 1.792 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.040 3.542 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.754 2.651 1.699 1.00 0.00 H new ATOM 477 N LYS A 49 9.662 -0.088 2.319 1.00 0.00 N ATOM 478 CA LYS A 49 10.063 -1.440 2.673 1.00 0.00 C ATOM 479 C LYS A 49 8.842 -2.342 2.752 1.00 0.00 C ATOM 480 O LYS A 49 8.871 -3.488 2.300 1.00 0.00 O ATOM 481 CB LYS A 49 10.853 -1.451 3.982 1.00 0.00 C ATOM 482 CG LYS A 49 12.104 -0.590 3.918 1.00 0.00 C ATOM 483 CD LYS A 49 13.084 -0.931 5.023 1.00 0.00 C ATOM 484 CE LYS A 49 14.259 0.036 5.037 1.00 0.00 C ATOM 485 NZ LYS A 49 14.897 0.166 3.700 1.00 0.00 N ATOM 0 H LYS A 49 9.637 0.562 3.104 1.00 0.00 H new ATOM 0 HA LYS A 49 10.722 -1.826 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.214 -1.097 4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.134 -2.476 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.587 -0.724 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.825 0.461 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.574 -0.901 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.449 -1.949 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.917 1.016 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.000 -0.306 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.796 0.681 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.079 -0.780 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.263 0.688 3.062 1.00 0.00 H new ATOM 499 N TRP A 50 7.778 -1.821 3.351 1.00 0.00 N ATOM 500 CA TRP A 50 6.483 -2.487 3.348 1.00 0.00 C ATOM 501 C TRP A 50 6.082 -2.858 1.916 1.00 0.00 C ATOM 502 O TRP A 50 5.540 -3.934 1.672 1.00 0.00 O ATOM 503 CB TRP A 50 5.437 -1.569 3.993 1.00 0.00 C ATOM 504 CG TRP A 50 4.019 -2.009 3.803 1.00 0.00 C ATOM 505 CD1 TRP A 50 3.110 -1.474 2.934 1.00 0.00 C ATOM 506 CD2 TRP A 50 3.337 -3.067 4.495 1.00 0.00 C ATOM 507 NE1 TRP A 50 1.911 -2.132 3.040 1.00 0.00 N ATOM 508 CE2 TRP A 50 2.024 -3.111 3.989 1.00 0.00 C ATOM 509 CE3 TRP A 50 3.704 -3.981 5.491 1.00 0.00 C ATOM 510 CZ2 TRP A 50 1.085 -4.027 4.442 1.00 0.00 C ATOM 511 CZ3 TRP A 50 2.762 -4.894 5.936 1.00 0.00 C ATOM 512 CH2 TRP A 50 1.469 -4.909 5.409 1.00 0.00 C ATOM 0 H TRP A 50 7.789 -0.931 3.849 1.00 0.00 H new ATOM 0 HA TRP A 50 6.544 -3.408 3.927 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.642 -1.501 5.061 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.550 -0.566 3.582 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.307 -0.652 2.261 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.071 -1.925 2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.702 -3.974 5.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.082 -4.041 4.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.032 -5.605 6.703 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.758 -5.635 5.775 1.00 0.00 H new ATOM 523 N LEU A 51 6.383 -1.972 0.969 1.00 0.00 N ATOM 524 CA LEU A 51 6.079 -2.230 -0.440 1.00 0.00 C ATOM 525 C LEU A 51 7.067 -3.234 -1.028 1.00 0.00 C ATOM 526 O LEU A 51 6.697 -4.081 -1.848 1.00 0.00 O ATOM 527 CB LEU A 51 6.098 -0.932 -1.255 1.00 0.00 C ATOM 528 CG LEU A 51 4.733 -0.275 -1.488 1.00 0.00 C ATOM 529 CD1 LEU A 51 3.846 -1.176 -2.332 1.00 0.00 C ATOM 530 CD2 LEU A 51 4.055 0.047 -0.166 1.00 0.00 C ATOM 0 H LEU A 51 6.834 -1.075 1.148 1.00 0.00 H new ATOM 0 HA LEU A 51 5.076 -2.653 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.744 -0.215 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.551 -1.140 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 51 4.893 0.659 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.881 -0.694 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.322 -1.355 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.698 -2.126 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.088 0.513 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.910 -0.872 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.681 0.732 0.406 1.00 0.00 H new ATOM 542 N LYS A 52 8.320 -3.119 -0.605 1.00 0.00 N ATOM 543 CA LYS A 52 9.372 -4.050 -0.997 1.00 0.00 C ATOM 544 C LYS A 52 8.994 -5.489 -0.648 1.00 0.00 C ATOM 545 O LYS A 52 8.957 -6.360 -1.519 1.00 0.00 O ATOM 546 CB LYS A 52 10.680 -3.669 -0.294 1.00 0.00 C ATOM 547 CG LYS A 52 11.718 -4.778 -0.258 1.00 0.00 C ATOM 548 CD LYS A 52 12.770 -4.505 0.802 1.00 0.00 C ATOM 549 CE LYS A 52 13.653 -5.719 1.042 1.00 0.00 C ATOM 550 NZ LYS A 52 12.869 -6.910 1.472 1.00 0.00 N ATOM 0 H LYS A 52 8.636 -2.377 0.020 1.00 0.00 H new ATOM 0 HA LYS A 52 9.503 -3.988 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.109 -2.802 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.454 -3.366 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.230 -5.731 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.195 -4.866 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.387 -3.661 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.282 -4.219 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.198 -5.956 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.396 -5.481 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.433 -7.474 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.992 -6.599 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.634 -7.489 0.641 1.00 0.00 H new ATOM 564 N ASP A 53 8.701 -5.724 0.626 1.00 0.00 N ATOM 565 CA ASP A 53 8.417 -7.071 1.116 1.00 0.00 C ATOM 566 C ASP A 53 7.064 -7.576 0.629 1.00 0.00 C ATOM 567 O ASP A 53 6.834 -8.787 0.560 1.00 0.00 O ATOM 568 CB ASP A 53 8.477 -7.115 2.645 1.00 0.00 C ATOM 569 CG ASP A 53 9.856 -7.486 3.161 1.00 0.00 C ATOM 570 OD1 ASP A 53 10.762 -6.626 3.143 1.00 0.00 O ATOM 571 OD2 ASP A 53 10.043 -8.648 3.581 1.00 0.00 O ATOM 0 H ASP A 53 8.653 -4.998 1.341 1.00 0.00 H new ATOM 0 HA ASP A 53 9.185 -7.731 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.192 -6.142 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.748 -7.837 3.014 1.00 0.00 H new ATOM 576 N ALA A 54 6.173 -6.652 0.295 1.00 0.00 N ATOM 577 CA ALA A 54 4.874 -7.013 -0.260 1.00 0.00 C ATOM 578 C ALA A 54 5.038 -7.596 -1.658 1.00 0.00 C ATOM 579 O ALA A 54 4.312 -8.508 -2.050 1.00 0.00 O ATOM 580 CB ALA A 54 3.947 -5.806 -0.295 1.00 0.00 C ATOM 0 H ALA A 54 6.325 -5.649 0.398 1.00 0.00 H new ATOM 0 HA ALA A 54 4.426 -7.770 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.984 -6.099 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.804 -5.428 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.389 -5.026 -0.915 1.00 0.00 H new ATOM 586 N GLY A 55 6.006 -7.070 -2.398 1.00 0.00 N ATOM 587 CA GLY A 55 6.267 -7.560 -3.736 1.00 0.00 C ATOM 588 C GLY A 55 5.641 -6.683 -4.795 1.00 0.00 C ATOM 589 O GLY A 55 5.756 -6.956 -5.990 1.00 0.00 O ATOM 0 H GLY A 55 6.616 -6.311 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.344 -7.612 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.881 -8.575 -3.832 1.00 0.00 H new ATOM 593 N VAL A 56 4.979 -5.621 -4.355 1.00 0.00 N ATOM 594 CA VAL A 56 4.320 -4.696 -5.267 1.00 0.00 C ATOM 595 C VAL A 56 5.329 -3.690 -5.822 1.00 0.00 C ATOM 596 O VAL A 56 5.147 -3.135 -6.907 1.00 0.00 O ATOM 597 CB VAL A 56 3.167 -3.942 -4.563 1.00 0.00 C ATOM 598 CG1 VAL A 56 2.374 -3.092 -5.551 1.00 0.00 C ATOM 599 CG2 VAL A 56 2.244 -4.921 -3.845 1.00 0.00 C ATOM 0 H VAL A 56 4.884 -5.378 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 56 3.901 -5.279 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 56 3.611 -3.274 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.572 -2.576 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.035 -2.359 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.948 -3.733 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.440 -4.371 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.820 -5.618 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.812 -5.475 -3.097 1.00 0.00 H new ATOM 609 N LEU A 57 6.402 -3.477 -5.070 1.00 0.00 N ATOM 610 CA LEU A 57 7.453 -2.554 -5.478 1.00 0.00 C ATOM 611 C LEU A 57 8.369 -3.223 -6.506 1.00 0.00 C ATOM 612 O LEU A 57 8.025 -4.271 -7.049 1.00 0.00 O ATOM 613 CB LEU A 57 8.250 -2.093 -4.253 1.00 0.00 C ATOM 614 CG LEU A 57 9.070 -0.814 -4.444 1.00 0.00 C ATOM 615 CD1 LEU A 57 8.161 0.366 -4.746 1.00 0.00 C ATOM 616 CD2 LEU A 57 9.909 -0.537 -3.210 1.00 0.00 C ATOM 0 H LEU A 57 6.567 -3.932 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 57 7.001 -1.678 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.556 -1.939 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.925 -2.896 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 57 9.738 -0.956 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.763 1.265 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.599 0.168 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.468 0.513 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.487 0.375 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.256 -0.415 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.588 -1.372 -3.037 1.00 0.00 H new ATOM 628 N ASP A 58 9.532 -2.615 -6.753 1.00 0.00 N ATOM 629 CA ASP A 58 10.464 -3.051 -7.789 1.00 0.00 C ATOM 630 C ASP A 58 11.004 -4.443 -7.503 1.00 0.00 C ATOM 631 O ASP A 58 12.070 -4.627 -6.911 1.00 0.00 O ATOM 632 CB ASP A 58 11.612 -2.053 -7.942 1.00 0.00 C ATOM 633 CG ASP A 58 12.607 -2.479 -9.005 1.00 0.00 C ATOM 634 OD1 ASP A 58 12.178 -2.819 -10.127 1.00 0.00 O ATOM 635 OD2 ASP A 58 13.823 -2.456 -8.729 1.00 0.00 O ATOM 0 H ASP A 58 9.854 -1.799 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 58 9.913 -3.093 -8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.208 -1.074 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.127 -1.946 -6.987 1.00 0.00 H new ATOM 640 N ASN A 59 10.200 -5.405 -7.878 1.00 0.00 N ATOM 641 CA ASN A 59 10.544 -6.817 -7.780 1.00 0.00 C ATOM 642 C ASN A 59 11.627 -7.197 -8.794 1.00 0.00 C ATOM 643 O ASN A 59 12.570 -7.913 -8.464 1.00 0.00 O ATOM 644 CB ASN A 59 9.292 -7.673 -8.003 1.00 0.00 C ATOM 645 CG ASN A 59 9.545 -9.154 -7.800 1.00 0.00 C ATOM 646 OD1 ASN A 59 9.907 -9.870 -8.733 1.00 0.00 O ATOM 647 ND2 ASN A 59 9.340 -9.628 -6.583 1.00 0.00 N ATOM 0 H ASN A 59 9.272 -5.236 -8.267 1.00 0.00 H new ATOM 0 HA ASN A 59 10.939 -7.003 -6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.508 -7.347 -7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.921 -7.508 -9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.482 -10.620 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.040 -9.002 -5.836 1.00 0.00 H new ATOM 654 N LYS A 60 11.497 -6.708 -10.026 1.00 0.00 N ATOM 655 CA LYS A 60 12.443 -7.057 -11.084 1.00 0.00 C ATOM 656 C LYS A 60 12.868 -5.819 -11.864 1.00 0.00 C ATOM 657 O LYS A 60 13.958 -5.285 -11.655 1.00 0.00 O ATOM 658 CB LYS A 60 11.838 -8.097 -12.038 1.00 0.00 C ATOM 659 CG LYS A 60 11.555 -9.439 -11.382 1.00 0.00 C ATOM 660 CD LYS A 60 10.980 -10.440 -12.369 1.00 0.00 C ATOM 661 CE LYS A 60 10.712 -11.785 -11.710 1.00 0.00 C ATOM 662 NZ LYS A 60 9.641 -11.706 -10.680 1.00 0.00 N ATOM 0 H LYS A 60 10.752 -6.074 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 60 13.325 -7.489 -10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.910 -7.702 -12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.520 -8.249 -12.875 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.476 -9.837 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.856 -9.300 -10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.053 -10.048 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.674 -10.573 -13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.427 -12.510 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.630 -12.151 -11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.293 -12.663 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.023 -11.276 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.857 -11.124 -11.038 1.00 0.00 H new ATOM 676 N ALA A 61 12.014 -5.367 -12.770 1.00 0.00 N ATOM 677 CA ALA A 61 12.300 -4.172 -13.543 1.00 0.00 C ATOM 678 C ALA A 61 11.095 -3.248 -13.570 1.00 0.00 C ATOM 679 O ALA A 61 10.437 -3.093 -14.599 1.00 0.00 O ATOM 680 CB ALA A 61 12.730 -4.534 -14.959 1.00 0.00 C ATOM 0 H ALA A 61 11.121 -5.809 -12.986 1.00 0.00 H new ATOM 0 HA ALA A 61 13.124 -3.646 -13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.939 -3.623 -15.520 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.628 -5.150 -14.920 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.931 -5.088 -15.452 1.00 0.00 H new ATOM 686 N ILE A 62 10.787 -2.655 -12.427 1.00 0.00 N ATOM 687 CA ILE A 62 9.702 -1.699 -12.350 1.00 0.00 C ATOM 688 C ILE A 62 10.230 -0.291 -12.587 1.00 0.00 C ATOM 689 O ILE A 62 11.192 0.144 -11.955 1.00 0.00 O ATOM 690 CB ILE A 62 8.944 -1.786 -11.008 1.00 0.00 C ATOM 691 CG1 ILE A 62 8.338 -3.185 -10.861 1.00 0.00 C ATOM 692 CG2 ILE A 62 7.865 -0.712 -10.925 1.00 0.00 C ATOM 693 CD1 ILE A 62 7.288 -3.289 -9.781 1.00 0.00 C ATOM 0 H ILE A 62 11.273 -2.820 -11.545 1.00 0.00 H new ATOM 0 HA ILE A 62 8.985 -1.946 -13.133 1.00 0.00 H new ATOM 0 HB ILE A 62 9.642 -1.612 -10.189 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.896 -3.480 -11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.137 -3.895 -10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.344 -0.793 -9.971 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.325 0.273 -11.005 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.153 -0.847 -11.740 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.908 -4.310 -9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.728 -3.027 -8.819 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.468 -2.606 -10.003 1.00 0.00 H new ATOM 705 N THR A 63 9.588 0.397 -13.513 1.00 0.00 N ATOM 706 CA THR A 63 10.050 1.672 -14.033 1.00 0.00 C ATOM 707 C THR A 63 10.226 2.745 -12.965 1.00 0.00 C ATOM 708 O THR A 63 9.253 3.259 -12.414 1.00 0.00 O ATOM 709 CB THR A 63 9.064 2.165 -15.090 1.00 0.00 C ATOM 710 OG1 THR A 63 7.755 1.670 -14.773 1.00 0.00 O ATOM 711 CG2 THR A 63 9.475 1.693 -16.469 1.00 0.00 C ATOM 0 H THR A 63 8.714 0.080 -13.933 1.00 0.00 H new ATOM 0 HA THR A 63 11.038 1.499 -14.460 1.00 0.00 H new ATOM 0 HB THR A 63 9.059 3.255 -15.093 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.124 1.943 -15.471 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.759 2.056 -17.206 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.466 2.080 -16.705 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.496 0.603 -16.489 1.00 0.00 H new ATOM 719 N GLY A 64 11.480 3.100 -12.711 1.00 0.00 N ATOM 720 CA GLY A 64 11.783 4.158 -11.768 1.00 0.00 C ATOM 721 C GLY A 64 11.235 5.493 -12.229 1.00 0.00 C ATOM 722 O GLY A 64 10.872 6.343 -11.419 1.00 0.00 O ATOM 0 H GLY A 64 12.297 2.670 -13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.362 3.909 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.863 4.233 -11.639 1.00 0.00 H new ATOM 726 N THR A 65 11.168 5.671 -13.540 1.00 0.00 N ATOM 727 CA THR A 65 10.607 6.880 -14.123 1.00 0.00 C ATOM 728 C THR A 65 9.129 7.029 -13.749 1.00 0.00 C ATOM 729 O THR A 65 8.653 8.130 -13.481 1.00 0.00 O ATOM 730 CB THR A 65 10.769 6.885 -15.664 1.00 0.00 C ATOM 731 OG1 THR A 65 10.110 8.021 -16.241 1.00 0.00 O ATOM 732 CG2 THR A 65 10.219 5.607 -16.279 1.00 0.00 C ATOM 0 H THR A 65 11.497 4.989 -14.223 1.00 0.00 H new ATOM 0 HA THR A 65 11.158 7.728 -13.717 1.00 0.00 H new ATOM 0 HB THR A 65 11.836 6.944 -15.881 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.225 8.007 -17.214 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.347 5.640 -17.361 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.756 4.749 -15.876 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.159 5.516 -16.041 1.00 0.00 H new ATOM 740 N MET A 66 8.425 5.904 -13.685 1.00 0.00 N ATOM 741 CA MET A 66 6.999 5.908 -13.390 1.00 0.00 C ATOM 742 C MET A 66 6.765 5.948 -11.886 1.00 0.00 C ATOM 743 O MET A 66 5.949 6.727 -11.392 1.00 0.00 O ATOM 744 CB MET A 66 6.330 4.677 -14.007 1.00 0.00 C ATOM 745 CG MET A 66 6.363 4.662 -15.530 1.00 0.00 C ATOM 746 SD MET A 66 5.613 3.177 -16.231 1.00 0.00 S ATOM 747 CE MET A 66 5.911 3.436 -17.980 1.00 0.00 C ATOM 0 H MET A 66 8.821 4.976 -13.834 1.00 0.00 H new ATOM 0 HA MET A 66 6.554 6.802 -13.828 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.824 3.780 -13.633 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.293 4.633 -13.674 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.841 5.541 -15.909 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.397 4.735 -15.867 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.503 2.599 -18.546 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.427 4.359 -18.299 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.984 3.508 -18.160 1.00 0.00 H new ATOM 757 N THR A 67 7.504 5.116 -11.163 1.00 0.00 N ATOM 758 CA THR A 67 7.409 5.061 -9.713 1.00 0.00 C ATOM 759 C THR A 67 7.766 6.417 -9.099 1.00 0.00 C ATOM 760 O THR A 67 7.180 6.832 -8.096 1.00 0.00 O ATOM 761 CB THR A 67 8.320 3.953 -9.145 1.00 0.00 C ATOM 762 OG1 THR A 67 9.691 4.231 -9.457 1.00 0.00 O ATOM 763 CG2 THR A 67 7.938 2.597 -9.728 1.00 0.00 C ATOM 0 H THR A 67 8.181 4.466 -11.563 1.00 0.00 H new ATOM 0 HA THR A 67 6.379 4.823 -9.449 1.00 0.00 H new ATOM 0 HB THR A 67 8.191 3.928 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.264 3.548 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.591 1.827 -9.317 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.903 2.370 -9.473 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.047 2.623 -10.812 1.00 0.00 H new ATOM 771 N GLY A 68 8.734 7.096 -9.712 1.00 0.00 N ATOM 772 CA GLY A 68 9.101 8.442 -9.301 1.00 0.00 C ATOM 773 C GLY A 68 7.917 9.394 -9.320 1.00 0.00 C ATOM 774 O GLY A 68 7.781 10.246 -8.438 1.00 0.00 O ATOM 0 H GLY A 68 9.276 6.732 -10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.523 8.410 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.880 8.822 -9.962 1.00 0.00 H new ATOM 778 N ILE A 69 7.067 9.255 -10.334 1.00 0.00 N ATOM 779 CA ILE A 69 5.850 10.052 -10.428 1.00 0.00 C ATOM 780 C ILE A 69 4.965 9.799 -9.214 1.00 0.00 C ATOM 781 O ILE A 69 4.548 10.734 -8.535 1.00 0.00 O ATOM 782 CB ILE A 69 5.052 9.728 -11.709 1.00 0.00 C ATOM 783 CG1 ILE A 69 5.902 9.996 -12.952 1.00 0.00 C ATOM 784 CG2 ILE A 69 3.766 10.547 -11.756 1.00 0.00 C ATOM 785 CD1 ILE A 69 5.214 9.622 -14.248 1.00 0.00 C ATOM 0 H ILE A 69 7.200 8.597 -11.102 1.00 0.00 H new ATOM 0 HA ILE A 69 6.149 11.100 -10.464 1.00 0.00 H new ATOM 0 HB ILE A 69 4.789 8.670 -11.693 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.164 11.054 -12.982 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.835 9.438 -12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.215 10.307 -12.665 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.152 10.311 -10.887 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.011 11.609 -11.750 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.875 9.839 -15.087 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.976 8.558 -14.240 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.295 10.199 -14.352 1.00 0.00 H new ATOM 797 N ALA A 70 4.706 8.522 -8.942 1.00 0.00 N ATOM 798 CA ALA A 70 3.891 8.119 -7.799 1.00 0.00 C ATOM 799 C ALA A 70 4.451 8.682 -6.494 1.00 0.00 C ATOM 800 O ALA A 70 3.703 9.164 -5.643 1.00 0.00 O ATOM 801 CB ALA A 70 3.802 6.603 -7.725 1.00 0.00 C ATOM 0 H ALA A 70 5.052 7.743 -9.503 1.00 0.00 H new ATOM 0 HA ALA A 70 2.890 8.527 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.192 6.316 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.348 6.220 -8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.802 6.185 -7.614 1.00 0.00 H new ATOM 807 N PHE A 71 5.771 8.621 -6.354 1.00 0.00 N ATOM 808 CA PHE A 71 6.459 9.166 -5.185 1.00 0.00 C ATOM 809 C PHE A 71 6.170 10.661 -5.033 1.00 0.00 C ATOM 810 O PHE A 71 5.922 11.152 -3.935 1.00 0.00 O ATOM 811 CB PHE A 71 7.969 8.923 -5.301 1.00 0.00 C ATOM 812 CG PHE A 71 8.760 9.419 -4.119 1.00 0.00 C ATOM 813 CD1 PHE A 71 8.813 8.683 -2.946 1.00 0.00 C ATOM 814 CD2 PHE A 71 9.453 10.617 -4.187 1.00 0.00 C ATOM 815 CE1 PHE A 71 9.541 9.136 -1.861 1.00 0.00 C ATOM 816 CE2 PHE A 71 10.182 11.074 -3.106 1.00 0.00 C ATOM 817 CZ PHE A 71 10.226 10.333 -1.942 1.00 0.00 C ATOM 0 H PHE A 71 6.392 8.196 -7.042 1.00 0.00 H new ATOM 0 HA PHE A 71 6.087 8.656 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.147 7.854 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.337 9.412 -6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.280 7.746 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.423 11.200 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 71 9.574 8.555 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.717 12.010 -3.172 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.795 10.689 -1.096 1.00 0.00 H new ATOM 827 N SER A 72 6.210 11.379 -6.143 1.00 0.00 N ATOM 828 CA SER A 72 5.941 12.809 -6.140 1.00 0.00 C ATOM 829 C SER A 72 4.471 13.088 -5.814 1.00 0.00 C ATOM 830 O SER A 72 4.135 14.139 -5.266 1.00 0.00 O ATOM 831 CB SER A 72 6.307 13.396 -7.502 1.00 0.00 C ATOM 832 OG SER A 72 7.609 12.985 -7.900 1.00 0.00 O ATOM 0 H SER A 72 6.427 10.994 -7.062 1.00 0.00 H new ATOM 0 HA SER A 72 6.548 13.281 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.578 13.078 -8.247 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.263 14.484 -7.457 1.00 0.00 H new ATOM 0 HG SER A 72 7.581 12.051 -8.195 1.00 0.00 H new ATOM 838 N LYS A 73 3.599 12.142 -6.148 1.00 0.00 N ATOM 839 CA LYS A 73 2.173 12.288 -5.893 1.00 0.00 C ATOM 840 C LYS A 73 1.854 12.096 -4.414 1.00 0.00 C ATOM 841 O LYS A 73 1.042 12.828 -3.847 1.00 0.00 O ATOM 842 CB LYS A 73 1.379 11.287 -6.732 1.00 0.00 C ATOM 843 CG LYS A 73 1.530 11.492 -8.231 1.00 0.00 C ATOM 844 CD LYS A 73 1.081 12.882 -8.650 1.00 0.00 C ATOM 845 CE LYS A 73 1.389 13.153 -10.113 1.00 0.00 C ATOM 846 NZ LYS A 73 0.993 14.526 -10.514 1.00 0.00 N ATOM 0 H LYS A 73 3.858 11.264 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 73 1.885 13.301 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.701 10.277 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.324 11.361 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.571 11.343 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.943 10.743 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.010 12.986 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.577 13.628 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.455 13.015 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.865 12.427 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.219 14.673 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.029 14.649 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.511 15.219 -9.938 1.00 0.00 H new ATOM 860 N VAL A 74 2.485 11.103 -3.797 1.00 0.00 N ATOM 861 CA VAL A 74 2.301 10.854 -2.374 1.00 0.00 C ATOM 862 C VAL A 74 2.949 11.959 -1.540 1.00 0.00 C ATOM 863 O VAL A 74 2.260 12.645 -0.781 1.00 0.00 O ATOM 864 CB VAL A 74 2.832 9.460 -1.952 1.00 0.00 C ATOM 865 CG1 VAL A 74 4.235 9.201 -2.470 1.00 0.00 C ATOM 866 CG2 VAL A 74 2.797 9.315 -0.446 1.00 0.00 C ATOM 0 H VAL A 74 3.127 10.459 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 74 1.228 10.860 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 74 2.175 8.715 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.565 8.213 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.235 9.248 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.914 9.956 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.173 8.331 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.421 10.084 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.771 9.425 -0.094 1.00 0.00 H new ATOM 876 N THR A 75 4.254 12.170 -1.713 1.00 0.00 N ATOM 877 CA THR A 75 4.970 13.164 -0.938 1.00 0.00 C ATOM 878 C THR A 75 6.461 13.160 -1.272 1.00 0.00 C ATOM 879 O THR A 75 7.158 12.160 -1.084 1.00 0.00 O ATOM 880 CB THR A 75 4.764 12.953 0.587 1.00 0.00 C ATOM 881 OG1 THR A 75 5.392 14.003 1.329 1.00 0.00 O ATOM 882 CG2 THR A 75 5.298 11.603 1.061 1.00 0.00 C ATOM 0 H THR A 75 4.830 11.662 -2.384 1.00 0.00 H new ATOM 0 HA THR A 75 4.558 14.136 -1.208 1.00 0.00 H new ATOM 0 HB THR A 75 3.689 12.970 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.266 13.698 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.131 11.502 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.779 10.802 0.536 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.366 11.541 0.853 1.00 0.00 H new ATOM 890 N GLY A 76 6.922 14.268 -1.833 1.00 0.00 N ATOM 891 CA GLY A 76 8.348 14.506 -1.967 1.00 0.00 C ATOM 892 C GLY A 76 9.078 14.361 -0.638 1.00 0.00 C ATOM 893 O GLY A 76 10.016 13.568 -0.534 1.00 0.00 O ATOM 0 H GLY A 76 6.330 15.013 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.766 13.805 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.513 15.508 -2.364 1.00 0.00 H new ATOM 897 N PRO A 77 8.692 15.141 0.397 1.00 0.00 N ATOM 898 CA PRO A 77 9.211 14.956 1.755 1.00 0.00 C ATOM 899 C PRO A 77 8.893 13.563 2.293 1.00 0.00 C ATOM 900 O PRO A 77 7.730 13.194 2.451 1.00 0.00 O ATOM 901 CB PRO A 77 8.500 16.035 2.584 1.00 0.00 C ATOM 902 CG PRO A 77 7.353 16.489 1.750 1.00 0.00 C ATOM 903 CD PRO A 77 7.761 16.279 0.320 1.00 0.00 C ATOM 0 HA PRO A 77 10.297 15.044 1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.157 15.634 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.172 16.863 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.453 15.921 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.126 17.538 1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.903 16.055 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.242 17.165 -0.095 1.00 0.00 H new ATOM 911 N LYS A 78 9.938 12.803 2.578 1.00 0.00 N ATOM 912 CA LYS A 78 9.813 11.391 2.933 1.00 0.00 C ATOM 913 C LYS A 78 9.341 11.185 4.374 1.00 0.00 C ATOM 914 O LYS A 78 8.972 10.071 4.751 1.00 0.00 O ATOM 915 CB LYS A 78 11.155 10.693 2.709 1.00 0.00 C ATOM 916 CG LYS A 78 12.311 11.362 3.432 1.00 0.00 C ATOM 917 CD LYS A 78 13.651 10.886 2.903 1.00 0.00 C ATOM 918 CE LYS A 78 14.793 11.652 3.544 1.00 0.00 C ATOM 919 NZ LYS A 78 16.103 11.329 2.925 1.00 0.00 N ATOM 0 H LYS A 78 10.899 13.144 2.571 1.00 0.00 H new ATOM 0 HA LYS A 78 9.050 10.954 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.078 9.658 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.370 10.669 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.237 12.443 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.245 11.151 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.767 9.821 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.685 11.014 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.605 12.722 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.830 11.422 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.853 11.875 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.296 10.313 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.079 11.572 1.914 1.00 0.00 H new ATOM 933 N LYS A 79 9.379 12.245 5.177 1.00 0.00 N ATOM 934 CA LYS A 79 9.012 12.152 6.590 1.00 0.00 C ATOM 935 C LYS A 79 7.554 11.715 6.752 1.00 0.00 C ATOM 936 O LYS A 79 7.280 10.664 7.328 1.00 0.00 O ATOM 937 CB LYS A 79 9.246 13.497 7.288 1.00 0.00 C ATOM 938 CG LYS A 79 9.826 13.373 8.692 1.00 0.00 C ATOM 939 CD LYS A 79 8.828 12.796 9.686 1.00 0.00 C ATOM 940 CE LYS A 79 9.455 12.647 11.065 1.00 0.00 C ATOM 941 NZ LYS A 79 8.452 12.321 12.115 1.00 0.00 N ATOM 0 H LYS A 79 9.660 13.178 4.875 1.00 0.00 H new ATOM 0 HA LYS A 79 9.645 11.397 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.921 14.098 6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.300 14.036 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.711 12.738 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.150 14.355 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.955 13.445 9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.479 11.825 9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.211 11.863 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.966 13.573 11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.852 12.526 13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.598 12.896 11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.205 11.312 12.058 1.00 0.00 H new ATOM 955 N LYS A 80 6.624 12.517 6.245 1.00 0.00 N ATOM 956 CA LYS A 80 5.206 12.185 6.323 1.00 0.00 C ATOM 957 C LYS A 80 4.415 13.019 5.323 1.00 0.00 C ATOM 958 O LYS A 80 4.788 14.153 5.020 1.00 0.00 O ATOM 959 CB LYS A 80 4.664 12.423 7.742 1.00 0.00 C ATOM 960 CG LYS A 80 3.241 11.921 7.943 1.00 0.00 C ATOM 961 CD LYS A 80 2.741 12.140 9.365 1.00 0.00 C ATOM 962 CE LYS A 80 2.132 13.521 9.568 1.00 0.00 C ATOM 963 NZ LYS A 80 3.137 14.613 9.504 1.00 0.00 N ATOM 0 H LYS A 80 6.826 13.400 5.776 1.00 0.00 H new ATOM 0 HA LYS A 80 5.092 11.128 6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.319 11.929 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.698 13.490 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.577 12.431 7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.197 10.858 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.997 11.381 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.569 12.007 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.370 13.691 8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.630 13.552 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.816 15.414 10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.049 14.267 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.251 14.923 8.518 1.00 0.00 H new ATOM 977 N ALA A 81 3.334 12.452 4.807 1.00 0.00 N ATOM 978 CA ALA A 81 2.459 13.173 3.894 1.00 0.00 C ATOM 979 C ALA A 81 1.134 13.522 4.563 1.00 0.00 C ATOM 980 O ALA A 81 0.970 14.614 5.106 1.00 0.00 O ATOM 981 CB ALA A 81 2.211 12.358 2.636 1.00 0.00 C ATOM 0 H ALA A 81 3.042 11.495 5.005 1.00 0.00 H new ATOM 0 HA ALA A 81 2.958 14.102 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.555 12.914 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.160 12.163 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.740 11.412 2.902 1.00 0.00 H new ATOM 987 N THR A 82 0.208 12.572 4.533 1.00 0.00 N ATOM 988 CA THR A 82 -1.137 12.771 5.051 1.00 0.00 C ATOM 989 C THR A 82 -1.944 11.493 4.807 1.00 0.00 C ATOM 990 O THR A 82 -1.360 10.454 4.515 1.00 0.00 O ATOM 991 CB THR A 82 -1.823 13.989 4.376 1.00 0.00 C ATOM 992 OG1 THR A 82 -3.103 14.237 4.972 1.00 0.00 O ATOM 993 CG2 THR A 82 -1.988 13.777 2.875 1.00 0.00 C ATOM 0 H THR A 82 0.370 11.641 4.148 1.00 0.00 H new ATOM 0 HA THR A 82 -1.087 12.981 6.119 1.00 0.00 H new ATOM 0 HB THR A 82 -1.178 14.854 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.522 15.009 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.472 14.649 2.435 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.009 13.636 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.602 12.894 2.698 1.00 0.00 H new ATOM 1001 N PHE A 83 -3.264 11.565 4.916 1.00 0.00 N ATOM 1002 CA PHE A 83 -4.119 10.401 4.682 1.00 0.00 C ATOM 1003 C PHE A 83 -4.034 9.949 3.223 1.00 0.00 C ATOM 1004 O PHE A 83 -4.143 8.761 2.921 1.00 0.00 O ATOM 1005 CB PHE A 83 -5.568 10.724 5.052 1.00 0.00 C ATOM 1006 CG PHE A 83 -5.749 11.073 6.502 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -5.931 10.076 7.450 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -5.737 12.396 6.918 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -6.097 10.394 8.783 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -5.903 12.718 8.251 1.00 0.00 C ATOM 1011 CZ PHE A 83 -6.084 11.716 9.185 1.00 0.00 C ATOM 0 H PHE A 83 -3.769 12.415 5.165 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.767 9.586 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.915 11.556 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.197 9.867 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.943 9.041 7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.596 13.183 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.237 9.609 9.512 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.891 13.752 8.563 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.215 11.966 10.228 1.00 0.00 H new ATOM 1021 N ASP A 84 -3.840 10.915 2.329 1.00 0.00 N ATOM 1022 CA ASP A 84 -3.698 10.642 0.898 1.00 0.00 C ATOM 1023 C ASP A 84 -2.490 9.757 0.603 1.00 0.00 C ATOM 1024 O ASP A 84 -2.485 9.044 -0.391 1.00 0.00 O ATOM 1025 CB ASP A 84 -3.580 11.939 0.093 1.00 0.00 C ATOM 1026 CG ASP A 84 -4.919 12.601 -0.167 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -5.779 11.971 -0.813 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -5.097 13.768 0.241 1.00 0.00 O ATOM 0 H ASP A 84 -3.777 11.904 2.572 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.601 10.111 0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.935 12.635 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.096 11.726 -0.860 1.00 0.00 H new ATOM 1033 N GLU A 85 -1.474 9.838 1.461 1.00 0.00 N ATOM 1034 CA GLU A 85 -0.200 9.123 1.284 1.00 0.00 C ATOM 1035 C GLU A 85 -0.411 7.683 0.790 1.00 0.00 C ATOM 1036 O GLU A 85 -0.171 7.382 -0.384 1.00 0.00 O ATOM 1037 CB GLU A 85 0.549 9.137 2.630 1.00 0.00 C ATOM 1038 CG GLU A 85 1.968 8.573 2.620 1.00 0.00 C ATOM 1039 CD GLU A 85 2.024 7.058 2.578 1.00 0.00 C ATOM 1040 OE1 GLU A 85 1.396 6.416 3.445 1.00 0.00 O ATOM 1041 OE2 GLU A 85 2.677 6.514 1.670 1.00 0.00 O ATOM 0 H GLU A 85 -1.507 10.406 2.308 1.00 0.00 H new ATOM 0 HA GLU A 85 0.389 9.627 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.592 10.166 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.038 8.573 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.501 8.971 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.494 8.922 3.508 1.00 0.00 H new ATOM 1048 N THR A 86 -0.894 6.817 1.679 1.00 0.00 N ATOM 1049 CA THR A 86 -1.065 5.398 1.373 1.00 0.00 C ATOM 1050 C THR A 86 -2.021 5.198 0.195 1.00 0.00 C ATOM 1051 O THR A 86 -1.811 4.336 -0.664 1.00 0.00 O ATOM 1052 CB THR A 86 -1.605 4.644 2.607 1.00 0.00 C ATOM 1053 OG1 THR A 86 -0.807 4.954 3.757 1.00 0.00 O ATOM 1054 CG2 THR A 86 -1.602 3.140 2.376 1.00 0.00 C ATOM 0 H THR A 86 -1.176 7.076 2.624 1.00 0.00 H new ATOM 0 HA THR A 86 -0.088 4.998 1.101 1.00 0.00 H new ATOM 0 HB THR A 86 -2.633 4.965 2.776 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.077 5.262 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.987 2.635 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.233 2.902 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.584 2.804 2.181 1.00 0.00 H new ATOM 1062 N LYS A 87 -3.058 6.019 0.164 1.00 0.00 N ATOM 1063 CA LYS A 87 -4.066 5.984 -0.887 1.00 0.00 C ATOM 1064 C LYS A 87 -3.445 6.226 -2.263 1.00 0.00 C ATOM 1065 O LYS A 87 -3.713 5.493 -3.215 1.00 0.00 O ATOM 1066 CB LYS A 87 -5.131 7.042 -0.572 1.00 0.00 C ATOM 1067 CG LYS A 87 -5.879 7.586 -1.778 1.00 0.00 C ATOM 1068 CD LYS A 87 -6.683 8.817 -1.393 1.00 0.00 C ATOM 1069 CE LYS A 87 -7.137 9.601 -2.611 1.00 0.00 C ATOM 1070 NZ LYS A 87 -7.773 10.889 -2.223 1.00 0.00 N ATOM 0 H LYS A 87 -3.227 6.734 0.872 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.524 4.995 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.854 6.611 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.652 7.874 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.172 7.838 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.544 6.820 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.554 8.514 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.079 9.459 -0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.282 9.796 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.844 9.004 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.207 11.328 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.505 10.712 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.052 11.528 -1.831 1.00 0.00 H new ATOM 1084 N LYS A 88 -2.601 7.244 -2.354 1.00 0.00 N ATOM 1085 CA LYS A 88 -2.006 7.629 -3.618 1.00 0.00 C ATOM 1086 C LYS A 88 -0.981 6.609 -4.089 1.00 0.00 C ATOM 1087 O LYS A 88 -1.017 6.191 -5.242 1.00 0.00 O ATOM 1088 CB LYS A 88 -1.368 9.015 -3.508 1.00 0.00 C ATOM 1089 CG LYS A 88 -2.388 10.140 -3.409 1.00 0.00 C ATOM 1090 CD LYS A 88 -1.720 11.498 -3.294 1.00 0.00 C ATOM 1091 CE LYS A 88 -2.751 12.613 -3.244 1.00 0.00 C ATOM 1092 NZ LYS A 88 -2.124 13.955 -3.102 1.00 0.00 N ATOM 0 H LYS A 88 -2.314 7.818 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.803 7.665 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.722 9.041 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.733 9.185 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.032 10.125 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.028 9.975 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.103 11.528 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.054 11.652 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.353 12.590 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.429 12.441 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.866 14.683 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.571 13.988 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.497 14.133 -3.912 1.00 0.00 H new ATOM 1106 N VAL A 89 -0.083 6.195 -3.202 1.00 0.00 N ATOM 1107 CA VAL A 89 0.961 5.248 -3.579 1.00 0.00 C ATOM 1108 C VAL A 89 0.350 3.976 -4.148 1.00 0.00 C ATOM 1109 O VAL A 89 0.683 3.558 -5.253 1.00 0.00 O ATOM 1110 CB VAL A 89 1.872 4.869 -2.396 1.00 0.00 C ATOM 1111 CG1 VAL A 89 3.014 3.975 -2.863 1.00 0.00 C ATOM 1112 CG2 VAL A 89 2.419 6.106 -1.716 1.00 0.00 C ATOM 0 H VAL A 89 -0.056 6.496 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 89 1.569 5.748 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 89 1.271 4.318 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.646 3.718 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.607 3.064 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.607 4.503 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.059 5.811 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.999 6.688 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.593 6.711 -1.342 1.00 0.00 H new ATOM 1122 N LEU A 90 -0.570 3.384 -3.396 1.00 0.00 N ATOM 1123 CA LEU A 90 -1.188 2.126 -3.794 1.00 0.00 C ATOM 1124 C LEU A 90 -1.902 2.243 -5.137 1.00 0.00 C ATOM 1125 O LEU A 90 -1.796 1.354 -5.980 1.00 0.00 O ATOM 1126 CB LEU A 90 -2.163 1.646 -2.719 1.00 0.00 C ATOM 1127 CG LEU A 90 -1.509 1.190 -1.411 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -2.533 0.534 -0.504 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -0.359 0.231 -1.683 1.00 0.00 C ATOM 0 H LEU A 90 -0.904 3.755 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.389 1.393 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.862 2.453 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.748 0.820 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.110 2.072 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.050 0.217 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.325 1.247 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.961 -0.334 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.088 -0.078 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.734 -0.646 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.393 0.729 -2.295 1.00 0.00 H new ATOM 1141 N ALA A 91 -2.606 3.348 -5.344 1.00 0.00 N ATOM 1142 CA ALA A 91 -3.385 3.538 -6.560 1.00 0.00 C ATOM 1143 C ALA A 91 -2.500 3.885 -7.757 1.00 0.00 C ATOM 1144 O ALA A 91 -2.733 3.405 -8.867 1.00 0.00 O ATOM 1145 CB ALA A 91 -4.440 4.612 -6.347 1.00 0.00 C ATOM 0 H ALA A 91 -2.654 4.126 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.879 2.593 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.015 4.744 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.108 4.311 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.954 5.552 -6.085 1.00 0.00 H new ATOM 1151 N PHE A 92 -1.485 4.717 -7.538 1.00 0.00 N ATOM 1152 CA PHE A 92 -0.601 5.130 -8.626 1.00 0.00 C ATOM 1153 C PHE A 92 0.369 4.017 -9.013 1.00 0.00 C ATOM 1154 O PHE A 92 0.591 3.772 -10.195 1.00 0.00 O ATOM 1155 CB PHE A 92 0.168 6.408 -8.267 1.00 0.00 C ATOM 1156 CG PHE A 92 -0.646 7.662 -8.417 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -0.824 8.240 -9.662 1.00 0.00 C ATOM 1158 CD2 PHE A 92 -1.233 8.262 -7.316 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -1.572 9.392 -9.806 1.00 0.00 C ATOM 1160 CE2 PHE A 92 -1.983 9.414 -7.453 1.00 0.00 C ATOM 1161 CZ PHE A 92 -2.152 9.980 -8.700 1.00 0.00 C ATOM 0 H PHE A 92 -1.255 5.115 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.233 5.343 -9.488 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.519 6.334 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.052 6.480 -8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.373 7.785 -10.531 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.103 7.824 -6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.703 9.833 -10.783 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.436 9.871 -6.586 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.737 10.881 -8.810 1.00 0.00 H new ATOM 1171 N VAL A 93 0.934 3.331 -8.023 1.00 0.00 N ATOM 1172 CA VAL A 93 1.840 2.221 -8.302 1.00 0.00 C ATOM 1173 C VAL A 93 1.113 1.141 -9.095 1.00 0.00 C ATOM 1174 O VAL A 93 1.640 0.628 -10.081 1.00 0.00 O ATOM 1175 CB VAL A 93 2.442 1.616 -7.011 1.00 0.00 C ATOM 1176 CG1 VAL A 93 3.212 0.335 -7.311 1.00 0.00 C ATOM 1177 CG2 VAL A 93 3.354 2.623 -6.326 1.00 0.00 C ATOM 0 H VAL A 93 0.783 3.521 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 93 2.667 2.617 -8.892 1.00 0.00 H new ATOM 0 HB VAL A 93 1.617 1.371 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.624 -0.067 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.540 -0.397 -7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.024 0.553 -8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.769 2.181 -5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.165 2.897 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.782 3.514 -6.066 1.00 0.00 H new ATOM 1187 N ALA A 94 -0.105 0.810 -8.666 1.00 0.00 N ATOM 1188 CA ALA A 94 -0.934 -0.154 -9.382 1.00 0.00 C ATOM 1189 C ALA A 94 -1.202 0.314 -10.807 1.00 0.00 C ATOM 1190 O ALA A 94 -1.183 -0.484 -11.744 1.00 0.00 O ATOM 1191 CB ALA A 94 -2.250 -0.377 -8.655 1.00 0.00 C ATOM 0 H ALA A 94 -0.537 1.196 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.390 -1.098 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.852 -1.099 -9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.052 -0.759 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.791 0.567 -8.583 1.00 0.00 H new ATOM 1197 N GLU A 95 -1.454 1.611 -10.955 1.00 0.00 N ATOM 1198 CA GLU A 95 -1.729 2.204 -12.257 1.00 0.00 C ATOM 1199 C GLU A 95 -0.569 1.989 -13.225 1.00 0.00 C ATOM 1200 O GLU A 95 -0.739 1.365 -14.272 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.020 3.700 -12.110 1.00 0.00 C ATOM 1202 CG GLU A 95 -2.384 4.376 -13.419 1.00 0.00 C ATOM 1203 CD GLU A 95 -2.700 5.842 -13.253 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -3.670 6.170 -12.532 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -2.000 6.675 -13.865 1.00 0.00 O ATOM 0 H GLU A 95 -1.473 2.275 -10.181 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.608 1.707 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.836 3.836 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.145 4.193 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.558 4.264 -14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.245 3.871 -13.856 1.00 0.00 H new ATOM 1212 N ASP A 96 0.606 2.498 -12.869 1.00 0.00 N ATOM 1213 CA ASP A 96 1.788 2.379 -13.722 1.00 0.00 C ATOM 1214 C ASP A 96 2.169 0.915 -13.929 1.00 0.00 C ATOM 1215 O ASP A 96 2.551 0.516 -15.033 1.00 0.00 O ATOM 1216 CB ASP A 96 2.965 3.167 -13.131 1.00 0.00 C ATOM 1217 CG ASP A 96 2.745 4.670 -13.197 1.00 0.00 C ATOM 1218 OD1 ASP A 96 1.970 5.199 -12.380 1.00 0.00 O ATOM 1219 OD2 ASP A 96 3.326 5.327 -14.090 1.00 0.00 O ATOM 0 H ASP A 96 0.767 2.998 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 96 1.545 2.805 -14.696 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.114 2.869 -12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.877 2.912 -13.670 1.00 0.00 H new ATOM 1224 N ARG A 97 2.042 0.117 -12.871 1.00 0.00 N ATOM 1225 CA ARG A 97 2.286 -1.324 -12.946 1.00 0.00 C ATOM 1226 C ARG A 97 1.432 -1.969 -14.031 1.00 0.00 C ATOM 1227 O ARG A 97 1.941 -2.691 -14.895 1.00 0.00 O ATOM 1228 CB ARG A 97 1.973 -1.988 -11.601 1.00 0.00 C ATOM 1229 CG ARG A 97 3.180 -2.167 -10.696 1.00 0.00 C ATOM 1230 CD ARG A 97 3.981 -3.397 -11.086 1.00 0.00 C ATOM 1231 NE ARG A 97 3.182 -4.620 -10.981 1.00 0.00 N ATOM 1232 CZ ARG A 97 3.599 -5.745 -10.404 1.00 0.00 C ATOM 1233 NH1 ARG A 97 4.793 -5.809 -9.826 1.00 0.00 N ATOM 1234 NH2 ARG A 97 2.802 -6.804 -10.388 1.00 0.00 N ATOM 0 H ARG A 97 1.770 0.446 -11.945 1.00 0.00 H new ATOM 0 HA ARG A 97 3.338 -1.469 -13.191 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.227 -1.389 -11.078 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.525 -2.964 -11.787 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.815 -1.283 -10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.851 -2.257 -9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.344 -3.286 -12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.858 -3.479 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 97 2.242 -4.609 -11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.402 -4.991 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.101 -6.677 -9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.877 -6.753 -10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.113 -7.670 -9.948 1.00 0.00 H new ATOM 1248 N ALA A 98 0.137 -1.700 -13.981 1.00 0.00 N ATOM 1249 CA ALA A 98 -0.804 -2.295 -14.914 1.00 0.00 C ATOM 1250 C ALA A 98 -0.659 -1.701 -16.299 1.00 0.00 C ATOM 1251 O ALA A 98 -0.591 -2.432 -17.273 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.222 -2.111 -14.423 1.00 0.00 C ATOM 0 H ALA A 98 -0.287 -1.070 -13.300 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.580 -3.360 -14.974 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.915 -2.562 -15.133 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.336 -2.591 -13.451 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.440 -1.047 -14.330 1.00 0.00 H new ATOM 1258 N ARG A 99 -0.591 -0.378 -16.368 1.00 0.00 N ATOM 1259 CA ARG A 99 -0.533 0.341 -17.638 1.00 0.00 C ATOM 1260 C ARG A 99 0.614 -0.171 -18.511 1.00 0.00 C ATOM 1261 O ARG A 99 0.503 -0.225 -19.735 1.00 0.00 O ATOM 1262 CB ARG A 99 -0.367 1.838 -17.370 1.00 0.00 C ATOM 1263 CG ARG A 99 -0.617 2.716 -18.581 1.00 0.00 C ATOM 1264 CD ARG A 99 -0.367 4.179 -18.255 1.00 0.00 C ATOM 1265 NE ARG A 99 1.040 4.431 -17.957 1.00 0.00 N ATOM 1266 CZ ARG A 99 1.494 4.868 -16.783 1.00 0.00 C ATOM 1267 NH1 ARG A 99 0.648 5.192 -15.809 1.00 0.00 N ATOM 1268 NH2 ARG A 99 2.797 5.001 -16.593 1.00 0.00 N ATOM 0 H ARG A 99 -0.574 0.228 -15.548 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.464 0.169 -18.177 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -1.052 2.132 -16.574 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.644 2.021 -17.005 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.033 2.406 -19.399 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.644 2.586 -18.923 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.678 4.798 -19.097 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.978 4.472 -17.401 1.00 0.00 H new ATOM 0 HE ARG A 99 1.721 4.261 -18.697 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.358 5.107 -15.958 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.005 5.526 -14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.448 4.769 -17.343 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.150 5.335 -15.696 1.00 0.00 H new ATOM 1282 N GLN A 100 1.705 -0.561 -17.869 1.00 0.00 N ATOM 1283 CA GLN A 100 2.861 -1.094 -18.577 1.00 0.00 C ATOM 1284 C GLN A 100 2.642 -2.559 -18.969 1.00 0.00 C ATOM 1285 O GLN A 100 3.133 -3.017 -20.002 1.00 0.00 O ATOM 1286 CB GLN A 100 4.112 -0.970 -17.701 1.00 0.00 C ATOM 1287 CG GLN A 100 5.383 -1.457 -18.373 1.00 0.00 C ATOM 1288 CD GLN A 100 6.586 -1.406 -17.456 1.00 0.00 C ATOM 1289 OE1 GLN A 100 7.281 -0.398 -17.384 1.00 0.00 O ATOM 1290 NE2 GLN A 100 6.841 -2.498 -16.752 1.00 0.00 N ATOM 0 H GLN A 100 1.815 -0.518 -16.856 1.00 0.00 H new ATOM 0 HA GLN A 100 2.998 -0.514 -19.490 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.241 0.074 -17.414 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.958 -1.536 -16.782 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.237 -2.481 -18.718 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.578 -0.848 -19.256 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.237 -3.315 -16.842 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.641 -2.522 -16.120 1.00 0.00 H new ATOM 1299 N SER A 101 1.889 -3.281 -18.149 1.00 0.00 N ATOM 1300 CA SER A 101 1.722 -4.718 -18.325 1.00 0.00 C ATOM 1301 C SER A 101 0.390 -5.066 -19.003 1.00 0.00 C ATOM 1302 O SER A 101 0.356 -5.386 -20.193 1.00 0.00 O ATOM 1303 CB SER A 101 1.825 -5.409 -16.964 1.00 0.00 C ATOM 1304 OG SER A 101 3.008 -5.015 -16.285 1.00 0.00 O ATOM 0 H SER A 101 1.383 -2.893 -17.353 1.00 0.00 H new ATOM 0 HA SER A 101 2.515 -5.074 -18.982 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.953 -5.161 -16.359 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.821 -6.491 -17.099 1.00 0.00 H new ATOM 0 HG SER A 101 2.818 -4.234 -15.724 1.00 0.00 H new ATOM 1310 N LYS A 102 -0.702 -4.982 -18.248 1.00 0.00 N ATOM 1311 CA LYS A 102 -2.020 -5.369 -18.749 1.00 0.00 C ATOM 1312 C LYS A 102 -2.679 -4.224 -19.511 1.00 0.00 C ATOM 1313 O LYS A 102 -3.360 -4.457 -20.511 1.00 0.00 O ATOM 1314 CB LYS A 102 -2.944 -5.792 -17.595 1.00 0.00 C ATOM 1315 CG LYS A 102 -2.643 -7.157 -16.984 1.00 0.00 C ATOM 1316 CD LYS A 102 -1.343 -7.173 -16.192 1.00 0.00 C ATOM 1317 CE LYS A 102 -1.195 -8.463 -15.396 1.00 0.00 C ATOM 1318 NZ LYS A 102 -2.097 -8.498 -14.212 1.00 0.00 N ATOM 0 H LYS A 102 -0.701 -4.649 -17.284 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.870 -6.211 -19.424 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.884 -5.039 -16.809 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.972 -5.793 -17.957 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.465 -7.447 -16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -2.589 -7.902 -17.778 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.499 -7.065 -16.873 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.317 -6.320 -15.514 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.412 -9.314 -16.042 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.161 -8.569 -15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.869 -9.326 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.968 -7.631 -13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.085 -8.561 -14.530 1.00 0.00 H new ATOM 1332 N LYS A 103 -2.437 -3.002 -19.010 1.00 0.00 N ATOM 1333 CA LYS A 103 -3.055 -1.736 -19.458 1.00 0.00 C ATOM 1334 C LYS A 103 -4.173 -1.272 -18.501 1.00 0.00 C ATOM 1335 O LYS A 103 -4.074 -0.171 -17.959 1.00 0.00 O ATOM 1336 CB LYS A 103 -3.513 -1.746 -20.926 1.00 0.00 C ATOM 1337 CG LYS A 103 -2.352 -1.755 -21.911 1.00 0.00 C ATOM 1338 CD LYS A 103 -2.832 -1.695 -23.348 1.00 0.00 C ATOM 1339 CE LYS A 103 -1.667 -1.690 -24.326 1.00 0.00 C ATOM 1340 NZ LYS A 103 -0.872 -2.948 -24.263 1.00 0.00 N ATOM 0 H LYS A 103 -1.776 -2.859 -18.247 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.258 -0.994 -19.417 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.137 -2.623 -21.100 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.134 -0.870 -21.113 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.699 -0.906 -21.710 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.757 -2.657 -21.764 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.477 -2.550 -23.553 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.435 -0.799 -23.494 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.046 -1.552 -25.339 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.018 -0.841 -24.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.210 -2.981 -25.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.337 -2.977 -23.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.512 -3.766 -24.309 1.00 0.00 H new ATOM 1354 N PRO A 104 -5.249 -2.064 -18.263 1.00 0.00 N ATOM 1355 CA PRO A 104 -6.233 -1.736 -17.218 1.00 0.00 C ATOM 1356 C PRO A 104 -5.612 -1.783 -15.824 1.00 0.00 C ATOM 1357 O PRO A 104 -5.158 -2.837 -15.372 1.00 0.00 O ATOM 1358 CB PRO A 104 -7.310 -2.821 -17.364 1.00 0.00 C ATOM 1359 CG PRO A 104 -7.103 -3.389 -18.724 1.00 0.00 C ATOM 1360 CD PRO A 104 -5.632 -3.282 -18.989 1.00 0.00 C ATOM 0 HA PRO A 104 -6.626 -0.726 -17.332 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.205 -3.587 -16.596 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -8.310 -2.401 -17.260 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.435 -4.426 -18.770 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.676 -2.838 -19.470 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.092 -4.155 -18.623 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.420 -3.199 -20.055 1.00 0.00 H new ATOM 1368 N ILE A 105 -5.600 -0.637 -15.147 1.00 0.00 N ATOM 1369 CA ILE A 105 -4.918 -0.493 -13.870 1.00 0.00 C ATOM 1370 C ILE A 105 -5.565 -1.343 -12.777 1.00 0.00 C ATOM 1371 O ILE A 105 -4.868 -1.923 -11.940 1.00 0.00 O ATOM 1372 CB ILE A 105 -4.813 0.992 -13.436 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -6.140 1.554 -12.915 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -4.317 1.831 -14.597 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -6.280 1.489 -11.406 1.00 0.00 C ATOM 0 H ILE A 105 -6.062 0.213 -15.470 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.904 -0.865 -14.014 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.103 1.036 -12.610 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.236 2.591 -13.235 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.962 1.002 -13.371 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.245 2.874 -14.288 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.335 1.476 -14.909 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.014 1.747 -15.430 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.244 1.904 -11.112 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.217 0.451 -11.079 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.480 2.065 -10.941 1.00 0.00 H new ATOM 1387 N GLN A 106 -6.893 -1.413 -12.781 1.00 0.00 N ATOM 1388 CA GLN A 106 -7.626 -2.125 -11.746 1.00 0.00 C ATOM 1389 C GLN A 106 -7.234 -3.595 -11.672 1.00 0.00 C ATOM 1390 O GLN A 106 -7.335 -4.209 -10.610 1.00 0.00 O ATOM 1391 CB GLN A 106 -9.133 -1.996 -11.965 1.00 0.00 C ATOM 1392 CG GLN A 106 -9.689 -0.631 -11.586 1.00 0.00 C ATOM 1393 CD GLN A 106 -9.370 -0.248 -10.151 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -9.240 0.932 -9.823 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -9.249 -1.243 -9.284 1.00 0.00 N ATOM 0 H GLN A 106 -7.483 -0.983 -13.493 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.361 -1.664 -10.795 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -9.357 -2.192 -13.013 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.643 -2.762 -11.381 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.281 0.123 -12.259 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.770 -0.631 -11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.364 -2.208 -9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.041 -1.044 -8.305 1.00 0.00 H new ATOM 1404 N ASP A 107 -6.779 -4.151 -12.788 1.00 0.00 N ATOM 1405 CA ASP A 107 -6.422 -5.564 -12.838 1.00 0.00 C ATOM 1406 C ASP A 107 -5.259 -5.873 -11.899 1.00 0.00 C ATOM 1407 O ASP A 107 -5.228 -6.931 -11.275 1.00 0.00 O ATOM 1408 CB ASP A 107 -6.073 -5.988 -14.264 1.00 0.00 C ATOM 1409 CG ASP A 107 -5.771 -7.472 -14.355 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -6.717 -8.282 -14.228 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -4.594 -7.831 -14.540 1.00 0.00 O ATOM 0 H ASP A 107 -6.649 -3.649 -13.666 1.00 0.00 H new ATOM 0 HA ASP A 107 -7.290 -6.134 -12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.902 -5.745 -14.928 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.210 -5.420 -14.611 1.00 0.00 H new ATOM 1416 N GLU A 108 -4.319 -4.938 -11.777 1.00 0.00 N ATOM 1417 CA GLU A 108 -3.186 -5.124 -10.877 1.00 0.00 C ATOM 1418 C GLU A 108 -3.627 -5.043 -9.426 1.00 0.00 C ATOM 1419 O GLU A 108 -3.176 -5.830 -8.598 1.00 0.00 O ATOM 1420 CB GLU A 108 -2.082 -4.103 -11.148 1.00 0.00 C ATOM 1421 CG GLU A 108 -1.231 -4.436 -12.362 1.00 0.00 C ATOM 1422 CD GLU A 108 -0.439 -5.718 -12.200 1.00 0.00 C ATOM 1423 OE1 GLU A 108 0.695 -5.658 -11.678 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -0.941 -6.784 -12.609 1.00 0.00 O ATOM 0 H GLU A 108 -4.319 -4.053 -12.285 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.782 -6.119 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.533 -3.121 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.438 -4.035 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.875 -4.522 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.543 -3.613 -12.553 1.00 0.00 H new ATOM 1431 N LEU A 109 -4.522 -4.106 -9.110 1.00 0.00 N ATOM 1432 CA LEU A 109 -5.051 -4.021 -7.758 1.00 0.00 C ATOM 1433 C LEU A 109 -5.819 -5.291 -7.445 1.00 0.00 C ATOM 1434 O LEU A 109 -5.739 -5.826 -6.339 1.00 0.00 O ATOM 1435 CB LEU A 109 -5.971 -2.812 -7.580 1.00 0.00 C ATOM 1436 CG LEU A 109 -6.456 -2.601 -6.142 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -5.313 -2.127 -5.260 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -7.619 -1.625 -6.091 1.00 0.00 C ATOM 0 H LEU A 109 -4.887 -3.410 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.211 -3.902 -7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.444 -1.916 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.838 -2.929 -8.231 1.00 0.00 H new ATOM 0 HG LEU A 109 -6.811 -3.559 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.675 -1.982 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.519 -2.874 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.924 -1.184 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.941 -1.496 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.305 -0.663 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.447 -2.015 -6.683 1.00 0.00 H new ATOM 1450 N ASP A 110 -6.557 -5.767 -8.440 1.00 0.00 N ATOM 1451 CA ASP A 110 -7.278 -7.025 -8.339 1.00 0.00 C ATOM 1452 C ASP A 110 -6.314 -8.161 -8.033 1.00 0.00 C ATOM 1453 O ASP A 110 -6.534 -8.932 -7.103 1.00 0.00 O ATOM 1454 CB ASP A 110 -8.028 -7.306 -9.641 1.00 0.00 C ATOM 1455 CG ASP A 110 -8.740 -8.639 -9.632 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -9.843 -8.723 -9.051 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -8.221 -9.598 -10.240 1.00 0.00 O ATOM 0 H ASP A 110 -6.671 -5.292 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.000 -6.951 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.755 -6.512 -9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.324 -7.281 -10.473 1.00 0.00 H new ATOM 1462 N ALA A 111 -5.233 -8.235 -8.805 1.00 0.00 N ATOM 1463 CA ALA A 111 -4.202 -9.243 -8.595 1.00 0.00 C ATOM 1464 C ALA A 111 -3.620 -9.154 -7.186 1.00 0.00 C ATOM 1465 O ALA A 111 -3.438 -10.172 -6.522 1.00 0.00 O ATOM 1466 CB ALA A 111 -3.101 -9.092 -9.635 1.00 0.00 C ATOM 0 H ALA A 111 -5.049 -7.604 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.661 -10.225 -8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.336 -9.851 -9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.523 -9.216 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -2.654 -8.101 -9.550 1.00 0.00 H new ATOM 1472 N ILE A 112 -3.333 -7.938 -6.738 1.00 0.00 N ATOM 1473 CA ILE A 112 -2.827 -7.711 -5.387 1.00 0.00 C ATOM 1474 C ILE A 112 -3.816 -8.234 -4.349 1.00 0.00 C ATOM 1475 O ILE A 112 -3.471 -9.057 -3.501 1.00 0.00 O ATOM 1476 CB ILE A 112 -2.566 -6.205 -5.128 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -1.500 -5.669 -6.087 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -2.139 -5.969 -3.686 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -1.340 -4.161 -6.043 1.00 0.00 C ATOM 0 H ILE A 112 -3.442 -7.089 -7.293 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.884 -8.251 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.498 -5.668 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.543 -6.134 -5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.755 -5.969 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.962 -4.905 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.926 -6.309 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.223 -6.524 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.567 -3.856 -6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.284 -3.687 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.053 -3.855 -5.037 1.00 0.00 H new ATOM 1491 N THR A 113 -5.054 -7.768 -4.450 1.00 0.00 N ATOM 1492 CA THR A 113 -6.103 -8.123 -3.506 1.00 0.00 C ATOM 1493 C THR A 113 -6.359 -9.637 -3.513 1.00 0.00 C ATOM 1494 O THR A 113 -6.503 -10.260 -2.460 1.00 0.00 O ATOM 1495 CB THR A 113 -7.406 -7.363 -3.841 1.00 0.00 C ATOM 1496 OG1 THR A 113 -7.113 -5.980 -4.089 1.00 0.00 O ATOM 1497 CG2 THR A 113 -8.406 -7.448 -2.704 1.00 0.00 C ATOM 0 H THR A 113 -5.358 -7.134 -5.189 1.00 0.00 H new ATOM 0 HA THR A 113 -5.771 -7.836 -2.508 1.00 0.00 H new ATOM 0 HB THR A 113 -7.839 -7.827 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.912 -5.854 -5.040 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.311 -6.903 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.655 -8.492 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.973 -7.010 -1.805 1.00 0.00 H new ATOM 1505 N GLU A 114 -6.383 -10.216 -4.707 1.00 0.00 N ATOM 1506 CA GLU A 114 -6.590 -11.651 -4.879 1.00 0.00 C ATOM 1507 C GLU A 114 -5.427 -12.439 -4.270 1.00 0.00 C ATOM 1508 O GLU A 114 -5.637 -13.422 -3.552 1.00 0.00 O ATOM 1509 CB GLU A 114 -6.752 -11.957 -6.377 1.00 0.00 C ATOM 1510 CG GLU A 114 -7.004 -13.417 -6.719 1.00 0.00 C ATOM 1511 CD GLU A 114 -5.732 -14.180 -7.037 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -5.080 -13.858 -8.055 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -5.392 -15.118 -6.290 1.00 0.00 O ATOM 0 H GLU A 114 -6.260 -9.707 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.496 -11.957 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.579 -11.362 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.852 -11.629 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.510 -13.898 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.678 -13.473 -7.574 1.00 0.00 H new ATOM 1520 N LYS A 115 -4.207 -11.986 -4.540 1.00 0.00 N ATOM 1521 CA LYS A 115 -3.010 -12.648 -4.029 1.00 0.00 C ATOM 1522 C LYS A 115 -2.971 -12.638 -2.507 1.00 0.00 C ATOM 1523 O LYS A 115 -2.660 -13.651 -1.888 1.00 0.00 O ATOM 1524 CB LYS A 115 -1.745 -11.987 -4.584 1.00 0.00 C ATOM 1525 CG LYS A 115 -1.027 -12.822 -5.632 1.00 0.00 C ATOM 1526 CD LYS A 115 -1.941 -13.182 -6.790 1.00 0.00 C ATOM 1527 CE LYS A 115 -1.215 -14.013 -7.832 1.00 0.00 C ATOM 1528 NZ LYS A 115 -2.129 -14.457 -8.912 1.00 0.00 N ATOM 0 H LYS A 115 -4.020 -11.162 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.047 -13.685 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.011 -11.024 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.060 -11.786 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.165 -12.271 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.647 -13.734 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.802 -13.736 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.323 -12.271 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.401 -13.429 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.765 -14.884 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.996 -15.474 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.114 -14.279 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.919 -13.929 -9.783 1.00 0.00 H new ATOM 1542 N LEU A 116 -3.294 -11.498 -1.908 1.00 0.00 N ATOM 1543 CA LEU A 116 -3.273 -11.364 -0.453 1.00 0.00 C ATOM 1544 C LEU A 116 -4.313 -12.270 0.189 1.00 0.00 C ATOM 1545 O LEU A 116 -4.046 -12.921 1.199 1.00 0.00 O ATOM 1546 CB LEU A 116 -3.548 -9.920 -0.046 1.00 0.00 C ATOM 1547 CG LEU A 116 -2.591 -8.877 -0.624 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -3.005 -7.481 -0.191 1.00 0.00 C ATOM 1549 CD2 LEU A 116 -1.161 -9.172 -0.195 1.00 0.00 C ATOM 0 H LEU A 116 -3.574 -10.652 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.282 -11.657 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.563 -9.663 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.514 -9.855 1.042 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.638 -8.926 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.314 -6.750 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.014 -7.273 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.985 -7.417 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.493 -8.420 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.095 -9.149 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.869 -10.159 -0.555 1.00 0.00 H new ATOM 1561 N ALA A 117 -5.492 -12.318 -0.415 1.00 0.00 N ATOM 1562 CA ALA A 117 -6.591 -13.121 0.102 1.00 0.00 C ATOM 1563 C ALA A 117 -6.215 -14.599 0.162 1.00 0.00 C ATOM 1564 O ALA A 117 -6.568 -15.304 1.108 1.00 0.00 O ATOM 1565 CB ALA A 117 -7.830 -12.919 -0.754 1.00 0.00 C ATOM 0 H ALA A 117 -5.713 -11.806 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.806 -12.793 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.647 -13.523 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.116 -11.867 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -7.617 -13.221 -1.779 1.00 0.00 H new ATOM 1571 N LYS A 118 -5.489 -15.055 -0.849 1.00 0.00 N ATOM 1572 CA LYS A 118 -5.074 -16.448 -0.933 1.00 0.00 C ATOM 1573 C LYS A 118 -3.744 -16.672 -0.213 1.00 0.00 C ATOM 1574 O LYS A 118 -3.332 -17.812 -0.015 1.00 0.00 O ATOM 1575 CB LYS A 118 -4.964 -16.907 -2.389 1.00 0.00 C ATOM 1576 CG LYS A 118 -3.716 -16.414 -3.102 1.00 0.00 C ATOM 1577 CD LYS A 118 -3.572 -17.041 -4.479 1.00 0.00 C ATOM 1578 CE LYS A 118 -3.596 -18.563 -4.413 1.00 0.00 C ATOM 1579 NZ LYS A 118 -2.558 -19.100 -3.493 1.00 0.00 N ATOM 0 H LYS A 118 -5.174 -14.476 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 118 -5.841 -17.044 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.979 -17.997 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.842 -16.562 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.756 -15.329 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.837 -16.648 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.379 -16.692 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.637 -16.712 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.580 -18.896 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.441 -18.971 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.542 -20.138 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.627 -18.723 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.778 -18.815 -2.517 1.00 0.00 H new ATOM 1593 N LEU A 119 -3.065 -15.576 0.134 1.00 0.00 N ATOM 1594 CA LEU A 119 -1.726 -15.615 0.747 1.00 0.00 C ATOM 1595 C LEU A 119 -1.755 -16.178 2.182 1.00 0.00 C ATOM 1596 O LEU A 119 -0.948 -15.786 3.026 1.00 0.00 O ATOM 1597 CB LEU A 119 -1.131 -14.201 0.753 1.00 0.00 C ATOM 1598 CG LEU A 119 0.378 -14.113 0.992 1.00 0.00 C ATOM 1599 CD1 LEU A 119 1.136 -14.737 -0.168 1.00 0.00 C ATOM 1600 CD2 LEU A 119 0.801 -12.665 1.194 1.00 0.00 C ATOM 0 H LEU A 119 -3.426 -14.631 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.106 -16.285 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.356 -13.729 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.636 -13.618 1.523 1.00 0.00 H new ATOM 0 HG LEU A 119 0.619 -14.669 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.208 -14.666 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.853 -15.785 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.892 -14.208 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.877 -12.620 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.549 -12.085 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.281 -12.251 2.058 1.00 0.00 H new ATOM 1612 N GLU A 120 -2.680 -17.102 2.440 1.00 0.00 N ATOM 1613 CA GLU A 120 -2.876 -17.696 3.763 1.00 0.00 C ATOM 1614 C GLU A 120 -3.428 -16.670 4.741 1.00 0.00 C ATOM 1615 O GLU A 120 -3.268 -16.800 5.955 1.00 0.00 O ATOM 1616 CB GLU A 120 -1.585 -18.320 4.317 1.00 0.00 C ATOM 1617 CG GLU A 120 -1.184 -19.633 3.653 1.00 0.00 C ATOM 1618 CD GLU A 120 -0.716 -19.468 2.222 1.00 0.00 C ATOM 1619 OE1 GLU A 120 0.465 -19.111 2.016 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -1.514 -19.712 1.294 1.00 0.00 O ATOM 0 H GLU A 120 -3.319 -17.462 1.732 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.603 -18.499 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.771 -17.605 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.708 -18.491 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.389 -20.098 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.034 -20.315 3.673 1.00 0.00 H new TER 1627 GLU A 120