USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 782 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 89 GLN : amide:sc=0.000888 X(o=-0.0056,f=-0.0077) USER MOD Set 1.2: A 91 THR OG1 : rot 84:sc= 0.00118 USER MOD Set 1.3: A 96 THR OG1 : rot 180:sc=-0.00771 USER MOD Set 2.1: A 35 TYR OH : rot -8:sc= -8.89! USER MOD Set 2.2: A 39 THR OG1 : rot -19:sc= -0.632! USER MOD Set 2.3: A 69 THR OG1 : rot 139:sc= -2.22! USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 68 SER OG : rot 180:sc= -1.88! USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.131 (180deg=0.00218) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0841 USER MOD Single : A 5 THR OG1 : rot 140:sc= -3.57! USER MOD Single : A 8 THR OG1 : rot 93:sc= 0.998 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -160:sc= -0.914 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 36 THR OG1 : rot -70:sc= -0.25 USER MOD Single : A 41 ASN : amide:sc= -0.369 K(o=-0.37,f=-2.4!) USER MOD Single : A 43 THR OG1 : rot -46:sc= -0.374! USER MOD Single : A 49 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.43) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 167:sc= -2.71! USER MOD Single : A 57 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 51:sc= -0.833! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 70 GLN : amide:sc=-0.000322 X(o=-0.00032,f=0) USER MOD Single : A 71 SER OG : rot -131:sc= -0.507! USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -1.29 F(o=-3.5,f=-1.3) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 86 TYR OH : rot 79:sc= -4.11! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0198 USER MOD Single : A 92 TYR OH : rot 0:sc= -2.85! USER MOD Single : A 93 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.085) USER MOD Single : A 100 SER OG : rot -134:sc= 0.555 USER MOD Single : A 101 THR OG1 : rot 170:sc= -0.476! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 173:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.227 28.290 -4.198 1.00 0.00 N ATOM 2 CA SER A 1 -3.016 27.541 -4.485 1.00 0.00 C ATOM 3 C SER A 1 -3.172 26.095 -4.010 1.00 0.00 C ATOM 4 O SER A 1 -4.246 25.510 -4.136 1.00 0.00 O ATOM 5 CB SER A 1 -1.799 28.188 -3.822 1.00 0.00 C ATOM 6 OG SER A 1 -1.855 29.613 -3.875 1.00 0.00 O ATOM 0 H1 SER A 1 -3.983 29.281 -3.999 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.864 28.248 -5.019 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.702 27.878 -3.370 1.00 0.00 H new ATOM 0 HA SER A 1 -2.856 27.548 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.739 27.866 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.891 27.842 -4.316 1.00 0.00 H new ATOM 0 HG SER A 1 -1.061 29.988 -3.440 1.00 0.00 H new ATOM 13 N ARG A 2 -2.082 25.560 -3.479 1.00 0.00 N ATOM 14 CA ARG A 2 -2.084 24.192 -2.987 1.00 0.00 C ATOM 15 C ARG A 2 -0.855 23.943 -2.108 1.00 0.00 C ATOM 16 O ARG A 2 -0.059 24.853 -1.877 1.00 0.00 O ATOM 17 CB ARG A 2 -2.086 23.192 -4.142 1.00 0.00 C ATOM 18 CG ARG A 2 -3.211 22.168 -3.978 1.00 0.00 C ATOM 19 CD ARG A 2 -3.151 21.104 -5.077 1.00 0.00 C ATOM 20 NE ARG A 2 -3.933 21.546 -6.253 1.00 0.00 N ATOM 21 CZ ARG A 2 -5.269 21.734 -6.246 1.00 0.00 C ATOM 22 NH1 ARG A 2 -5.985 21.521 -5.121 1.00 0.00 N ATOM 23 NH2 ARG A 2 -5.865 22.130 -7.355 1.00 0.00 N ATOM 0 H ARG A 2 -1.192 26.048 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.991 24.052 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.207 23.722 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.125 22.679 -4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.133 21.691 -3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.176 22.674 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.115 20.925 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.545 20.159 -4.702 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.430 21.719 -7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.516 21.216 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.995 21.665 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.316 22.289 -8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.874 22.277 -7.367 1.00 0.00 H new ATOM 37 N ASP A 3 -0.742 22.708 -1.643 1.00 0.00 N ATOM 38 CA ASP A 3 0.378 22.328 -0.796 1.00 0.00 C ATOM 39 C ASP A 3 0.588 20.816 -0.887 1.00 0.00 C ATOM 40 O ASP A 3 -0.292 20.088 -1.340 1.00 0.00 O ATOM 41 CB ASP A 3 0.103 22.680 0.669 1.00 0.00 C ATOM 42 CG ASP A 3 1.318 22.592 1.593 1.00 0.00 C ATOM 43 OD1 ASP A 3 1.450 21.647 2.384 1.00 0.00 O ATOM 44 OD2 ASP A 3 2.164 23.560 1.476 1.00 0.00 O ATOM 0 H ASP A 3 -1.406 21.958 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 3 1.260 22.869 -1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.297 23.693 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.672 22.014 1.048 1.00 0.00 H new ATOM 50 N PHE A 4 1.764 20.389 -0.448 1.00 0.00 N ATOM 51 CA PHE A 4 2.103 18.976 -0.473 1.00 0.00 C ATOM 52 C PHE A 4 2.367 18.501 -1.904 1.00 0.00 C ATOM 53 O PHE A 4 1.819 19.052 -2.856 1.00 0.00 O ATOM 54 CB PHE A 4 0.899 18.216 0.087 1.00 0.00 C ATOM 55 CG PHE A 4 1.271 17.055 1.011 1.00 0.00 C ATOM 56 CD1 PHE A 4 1.597 17.294 2.309 1.00 0.00 C ATOM 57 CD2 PHE A 4 1.276 15.780 0.532 1.00 0.00 C ATOM 58 CE1 PHE A 4 1.942 16.216 3.166 1.00 0.00 C ATOM 59 CE2 PHE A 4 1.621 14.702 1.388 1.00 0.00 C ATOM 60 CZ PHE A 4 1.948 14.943 2.687 1.00 0.00 C ATOM 0 H PHE A 4 2.493 20.996 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 4 3.005 18.800 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.265 18.913 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.307 17.831 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.594 18.305 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.017 15.589 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.199 16.407 4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.624 13.691 1.009 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.212 14.123 3.338 1.00 0.00 H new ATOM 70 N THR A 5 3.209 17.484 -2.010 1.00 0.00 N ATOM 71 CA THR A 5 3.556 16.930 -3.307 1.00 0.00 C ATOM 72 C THR A 5 2.552 15.847 -3.709 1.00 0.00 C ATOM 73 O THR A 5 1.830 15.320 -2.862 1.00 0.00 O ATOM 74 CB THR A 5 4.998 16.424 -3.238 1.00 0.00 C ATOM 75 OG1 THR A 5 5.569 16.838 -4.476 1.00 0.00 O ATOM 76 CG2 THR A 5 5.088 14.898 -3.277 1.00 0.00 C ATOM 0 H THR A 5 3.662 17.029 -1.217 1.00 0.00 H new ATOM 0 HA THR A 5 3.501 17.689 -4.087 1.00 0.00 H new ATOM 0 HB THR A 5 5.467 16.790 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.484 17.154 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.133 14.594 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.546 14.480 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.649 14.531 -4.205 1.00 0.00 H new ATOM 84 N PRO A 6 2.540 15.536 -5.032 1.00 0.00 N ATOM 85 CA PRO A 6 1.636 14.526 -5.556 1.00 0.00 C ATOM 86 C PRO A 6 2.120 13.119 -5.195 1.00 0.00 C ATOM 87 O PRO A 6 3.138 12.659 -5.713 1.00 0.00 O ATOM 88 CB PRO A 6 1.594 14.773 -7.055 1.00 0.00 C ATOM 89 CG PRO A 6 2.823 15.608 -7.374 1.00 0.00 C ATOM 90 CD PRO A 6 3.380 16.139 -6.064 1.00 0.00 C ATOM 0 HA PRO A 6 0.636 14.593 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.607 13.833 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.681 15.297 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.570 15.005 -7.890 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.563 16.431 -8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.426 15.860 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.334 17.227 -6.026 1.00 0.00 H new ATOM 98 N PRO A 7 1.349 12.460 -4.291 1.00 0.00 N ATOM 99 CA PRO A 7 1.690 11.116 -3.856 1.00 0.00 C ATOM 100 C PRO A 7 1.357 10.088 -4.941 1.00 0.00 C ATOM 101 O PRO A 7 0.576 10.369 -5.848 1.00 0.00 O ATOM 102 CB PRO A 7 0.899 10.904 -2.575 1.00 0.00 C ATOM 103 CG PRO A 7 -0.203 11.952 -2.589 1.00 0.00 C ATOM 104 CD PRO A 7 0.137 12.973 -3.659 1.00 0.00 C ATOM 0 HA PRO A 7 2.757 10.991 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.481 9.898 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.537 11.019 -1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.167 11.489 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.284 12.433 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.673 13.074 -4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.304 13.959 -3.226 1.00 0.00 H new ATOM 112 N THR A 8 1.964 8.918 -4.809 1.00 0.00 N ATOM 113 CA THR A 8 1.742 7.849 -5.767 1.00 0.00 C ATOM 114 C THR A 8 1.984 6.488 -5.111 1.00 0.00 C ATOM 115 O THR A 8 3.043 6.254 -4.530 1.00 0.00 O ATOM 116 CB THR A 8 2.636 8.105 -6.981 1.00 0.00 C ATOM 117 OG1 THR A 8 3.418 9.235 -6.602 1.00 0.00 O ATOM 118 CG2 THR A 8 1.846 8.589 -8.199 1.00 0.00 C ATOM 0 H THR A 8 2.609 8.687 -4.053 1.00 0.00 H new ATOM 0 HA THR A 8 0.707 7.833 -6.107 1.00 0.00 H new ATOM 0 HB THR A 8 3.172 7.191 -7.237 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.262 8.931 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.528 8.756 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.110 7.835 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.337 9.521 -7.955 1.00 0.00 H new ATOM 126 N VAL A 9 0.984 5.624 -5.225 1.00 0.00 N ATOM 127 CA VAL A 9 1.077 4.293 -4.649 1.00 0.00 C ATOM 128 C VAL A 9 0.621 3.263 -5.687 1.00 0.00 C ATOM 129 O VAL A 9 -0.318 3.510 -6.440 1.00 0.00 O ATOM 130 CB VAL A 9 0.273 4.228 -3.349 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.225 4.109 -3.636 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.757 3.079 -2.464 1.00 0.00 C ATOM 0 H VAL A 9 0.107 5.820 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 9 2.109 4.059 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 9 0.435 5.159 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.773 4.065 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.556 4.976 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.415 3.202 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.170 3.054 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.639 2.135 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.808 3.227 -2.218 1.00 0.00 H new ATOM 142 N LYS A 10 1.309 2.130 -5.688 1.00 0.00 N ATOM 143 CA LYS A 10 0.986 1.061 -6.618 1.00 0.00 C ATOM 144 C LYS A 10 1.150 -0.288 -5.915 1.00 0.00 C ATOM 145 O LYS A 10 1.738 -0.363 -4.838 1.00 0.00 O ATOM 146 CB LYS A 10 1.819 1.194 -7.895 1.00 0.00 C ATOM 147 CG LYS A 10 1.134 2.122 -8.902 1.00 0.00 C ATOM 148 CD LYS A 10 2.144 3.071 -9.548 1.00 0.00 C ATOM 149 CE LYS A 10 2.124 2.940 -11.071 1.00 0.00 C ATOM 150 NZ LYS A 10 2.393 4.248 -11.707 1.00 0.00 N ATOM 0 H LYS A 10 2.088 1.929 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.055 1.132 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.807 1.583 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.965 0.211 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.643 1.528 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.357 2.699 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.915 4.098 -9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.144 2.852 -9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.872 2.214 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.155 2.563 -11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.376 4.141 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.664 4.931 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.328 4.593 -11.410 1.00 0.00 H new ATOM 164 N ILE A 11 0.620 -1.321 -6.554 1.00 0.00 N ATOM 165 CA ILE A 11 0.700 -2.662 -6.003 1.00 0.00 C ATOM 166 C ILE A 11 1.214 -3.620 -7.080 1.00 0.00 C ATOM 167 O ILE A 11 0.596 -3.766 -8.133 1.00 0.00 O ATOM 168 CB ILE A 11 -0.646 -3.076 -5.404 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.482 -3.533 -3.952 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.326 -4.141 -6.266 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.737 -4.444 -3.799 1.00 0.00 C ATOM 0 H ILE A 11 0.134 -1.256 -7.448 1.00 0.00 H new ATOM 0 HA ILE A 11 1.413 -2.694 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.299 -2.203 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.375 -2.664 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.379 -4.062 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.280 -4.417 -5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.497 -3.745 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.686 -5.021 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.831 -4.754 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.615 -5.324 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.635 -3.904 -4.099 1.00 0.00 H new ATOM 183 N LEU A 12 2.341 -4.249 -6.778 1.00 0.00 N ATOM 184 CA LEU A 12 2.945 -5.189 -7.705 1.00 0.00 C ATOM 185 C LEU A 12 3.133 -6.538 -7.010 1.00 0.00 C ATOM 186 O LEU A 12 3.659 -6.601 -5.899 1.00 0.00 O ATOM 187 CB LEU A 12 4.239 -4.613 -8.284 1.00 0.00 C ATOM 188 CG LEU A 12 4.120 -3.245 -8.963 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.498 -2.696 -9.336 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.182 -3.311 -10.169 1.00 0.00 C ATOM 0 H LEU A 12 2.851 -4.125 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 12 2.286 -5.358 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.970 -4.535 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.637 -5.323 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 12 3.679 -2.548 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.385 -1.724 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.102 -2.587 -8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.990 -3.385 -10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.115 -2.327 -10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.570 -4.028 -10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.191 -3.626 -9.842 1.00 0.00 H new ATOM 202 N GLN A 13 2.688 -7.585 -7.689 1.00 0.00 N ATOM 203 CA GLN A 13 2.800 -8.931 -7.149 1.00 0.00 C ATOM 204 C GLN A 13 3.878 -9.716 -7.900 1.00 0.00 C ATOM 205 O GLN A 13 4.007 -9.591 -9.116 1.00 0.00 O ATOM 206 CB GLN A 13 1.454 -9.655 -7.205 1.00 0.00 C ATOM 207 CG GLN A 13 0.378 -8.771 -7.836 1.00 0.00 C ATOM 208 CD GLN A 13 -1.010 -9.393 -7.673 1.00 0.00 C ATOM 209 OE1 GLN A 13 -1.501 -9.602 -6.576 1.00 0.00 O ATOM 210 NE2 GLN A 13 -1.615 -9.676 -8.823 1.00 0.00 N ATOM 0 H GLN A 13 2.249 -7.529 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 13 3.094 -8.860 -6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.556 -10.575 -7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.149 -9.941 -6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.395 -7.785 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.594 -8.629 -8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.148 -9.476 -9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.546 -10.093 -8.820 1.00 0.00 H new ATOM 219 N SER A 14 4.621 -10.509 -7.142 1.00 0.00 N ATOM 220 CA SER A 14 5.684 -11.315 -7.720 1.00 0.00 C ATOM 221 C SER A 14 5.589 -12.751 -7.205 1.00 0.00 C ATOM 222 O SER A 14 6.406 -13.178 -6.393 1.00 0.00 O ATOM 223 CB SER A 14 7.058 -10.725 -7.399 1.00 0.00 C ATOM 224 OG SER A 14 7.875 -10.608 -8.561 1.00 0.00 O ATOM 0 H SER A 14 4.508 -10.611 -6.133 1.00 0.00 H new ATOM 0 HA SER A 14 5.563 -11.316 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.933 -9.743 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.560 -11.355 -6.665 1.00 0.00 H new ATOM 0 HG SER A 14 8.743 -10.226 -8.314 1.00 0.00 H new ATOM 230 N SER A 15 4.584 -13.459 -7.702 1.00 0.00 N ATOM 231 CA SER A 15 4.372 -14.838 -7.301 1.00 0.00 C ATOM 232 C SER A 15 4.302 -15.737 -8.539 1.00 0.00 C ATOM 233 O SER A 15 5.091 -16.669 -8.680 1.00 0.00 O ATOM 234 CB SER A 15 3.095 -14.982 -6.470 1.00 0.00 C ATOM 235 OG SER A 15 3.127 -16.139 -5.638 1.00 0.00 O ATOM 0 H SER A 15 3.909 -13.102 -8.378 1.00 0.00 H new ATOM 0 HA SER A 15 5.213 -15.146 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.963 -14.094 -5.852 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.234 -15.038 -7.136 1.00 0.00 H new ATOM 0 HG SER A 15 2.214 -16.377 -5.373 1.00 0.00 H new ATOM 241 N SER A 16 3.348 -15.425 -9.404 1.00 0.00 N ATOM 242 CA SER A 16 3.165 -16.191 -10.624 1.00 0.00 C ATOM 243 C SER A 16 2.816 -17.642 -10.284 1.00 0.00 C ATOM 244 O SER A 16 2.938 -18.060 -9.132 1.00 0.00 O ATOM 245 CB SER A 16 4.415 -16.137 -11.502 1.00 0.00 C ATOM 246 OG SER A 16 4.490 -14.929 -12.254 1.00 0.00 O ATOM 0 H SER A 16 2.694 -14.652 -9.284 1.00 0.00 H new ATOM 0 HA SER A 16 2.342 -15.748 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.302 -16.229 -10.875 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.416 -16.988 -12.183 1.00 0.00 H new ATOM 0 HG SER A 16 5.304 -14.934 -12.800 1.00 0.00 H new ATOM 252 N ASP A 17 2.392 -18.372 -11.306 1.00 0.00 N ATOM 253 CA ASP A 17 2.028 -19.766 -11.129 1.00 0.00 C ATOM 254 C ASP A 17 3.021 -20.434 -10.174 1.00 0.00 C ATOM 255 O ASP A 17 4.135 -19.945 -9.993 1.00 0.00 O ATOM 256 CB ASP A 17 2.072 -20.519 -12.459 1.00 0.00 C ATOM 257 CG ASP A 17 2.867 -19.829 -13.567 1.00 0.00 C ATOM 258 OD1 ASP A 17 2.312 -19.080 -14.382 1.00 0.00 O ATOM 259 OD2 ASP A 17 4.132 -20.093 -13.575 1.00 0.00 O ATOM 0 H ASP A 17 2.293 -18.023 -12.259 1.00 0.00 H new ATOM 0 HA ASP A 17 1.015 -19.800 -10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.500 -21.506 -12.286 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.050 -20.671 -12.807 1.00 0.00 H new ATOM 265 N GLY A 18 2.581 -21.536 -9.589 1.00 0.00 N ATOM 266 CA GLY A 18 3.419 -22.275 -8.659 1.00 0.00 C ATOM 267 C GLY A 18 4.856 -22.371 -9.173 1.00 0.00 C ATOM 268 O GLY A 18 5.083 -22.473 -10.377 1.00 0.00 O ATOM 0 H GLY A 18 1.655 -21.936 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.409 -21.784 -7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.013 -23.276 -8.515 1.00 0.00 H new ATOM 272 N GLY A 19 5.789 -22.336 -8.233 1.00 0.00 N ATOM 273 CA GLY A 19 7.199 -22.420 -8.577 1.00 0.00 C ATOM 274 C GLY A 19 7.871 -21.049 -8.468 1.00 0.00 C ATOM 275 O GLY A 19 8.574 -20.773 -7.497 1.00 0.00 O ATOM 0 H GLY A 19 5.597 -22.251 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.697 -23.127 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.308 -22.803 -9.592 1.00 0.00 H new ATOM 279 N GLY A 20 7.632 -20.228 -9.479 1.00 0.00 N ATOM 280 CA GLY A 20 8.204 -18.892 -9.510 1.00 0.00 C ATOM 281 C GLY A 20 9.705 -18.947 -9.799 1.00 0.00 C ATOM 282 O GLY A 20 10.174 -18.373 -10.781 1.00 0.00 O ATOM 0 H GLY A 20 7.050 -20.461 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.704 -18.296 -10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.032 -18.396 -8.555 1.00 0.00 H new ATOM 286 N HIS A 21 10.420 -19.642 -8.926 1.00 0.00 N ATOM 287 CA HIS A 21 11.859 -19.779 -9.075 1.00 0.00 C ATOM 288 C HIS A 21 12.346 -20.980 -8.263 1.00 0.00 C ATOM 289 O HIS A 21 13.117 -21.800 -8.762 1.00 0.00 O ATOM 290 CB HIS A 21 12.570 -18.479 -8.695 1.00 0.00 C ATOM 291 CG HIS A 21 13.128 -17.717 -9.873 1.00 0.00 C ATOM 292 ND1 HIS A 21 12.695 -16.449 -10.219 1.00 0.00 N ATOM 293 CD2 HIS A 21 14.090 -18.057 -10.779 1.00 0.00 C ATOM 294 CE1 HIS A 21 13.371 -16.055 -11.290 1.00 0.00 C ATOM 295 NE2 HIS A 21 14.234 -17.052 -11.634 1.00 0.00 N ATOM 0 H HIS A 21 10.029 -20.117 -8.112 1.00 0.00 H new ATOM 0 HA HIS A 21 12.104 -19.967 -10.120 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.870 -17.838 -8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 21 13.383 -18.709 -8.006 1.00 0.00 H new ATOM 0 HD2 HIS A 21 14.641 -18.986 -10.797 1.00 0.00 H new ATOM 0 HE1 HIS A 21 13.257 -15.110 -11.800 1.00 0.00 H new ATOM 0 HE2 HIS A 21 14.884 -17.030 -12.420 1.00 0.00 H new ATOM 303 N PHE A 22 11.877 -21.048 -7.024 1.00 0.00 N ATOM 304 CA PHE A 22 12.256 -22.137 -6.140 1.00 0.00 C ATOM 305 C PHE A 22 11.536 -22.026 -4.795 1.00 0.00 C ATOM 306 O PHE A 22 10.876 -22.967 -4.360 1.00 0.00 O ATOM 307 CB PHE A 22 13.764 -22.021 -5.910 1.00 0.00 C ATOM 308 CG PHE A 22 14.567 -23.206 -6.448 1.00 0.00 C ATOM 309 CD1 PHE A 22 14.415 -24.440 -5.896 1.00 0.00 C ATOM 310 CD2 PHE A 22 15.437 -23.025 -7.477 1.00 0.00 C ATOM 311 CE1 PHE A 22 15.161 -25.540 -6.395 1.00 0.00 C ATOM 312 CE2 PHE A 22 16.184 -24.125 -7.978 1.00 0.00 C ATOM 313 CZ PHE A 22 16.031 -25.359 -7.425 1.00 0.00 C ATOM 0 H PHE A 22 11.239 -20.367 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 22 11.985 -23.093 -6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 22 14.124 -21.107 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 22 13.952 -21.923 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 22 13.726 -24.583 -5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 22 15.560 -22.045 -7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 22 15.038 -26.520 -5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 22 16.873 -23.982 -8.797 1.00 0.00 H new ATOM 0 HZ PHE A 22 16.600 -26.195 -7.804 1.00 0.00 H new ATOM 323 N PRO A 23 11.691 -20.834 -4.157 1.00 0.00 N ATOM 324 CA PRO A 23 11.064 -20.587 -2.870 1.00 0.00 C ATOM 325 C PRO A 23 9.561 -20.343 -3.029 1.00 0.00 C ATOM 326 O PRO A 23 9.151 -19.392 -3.691 1.00 0.00 O ATOM 327 CB PRO A 23 11.802 -19.387 -2.296 1.00 0.00 C ATOM 328 CG PRO A 23 12.496 -18.723 -3.474 1.00 0.00 C ATOM 329 CD PRO A 23 12.467 -19.696 -4.642 1.00 0.00 C ATOM 0 HA PRO A 23 11.135 -21.442 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.110 -18.698 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.524 -19.697 -1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.992 -17.793 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.524 -18.466 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.004 -19.247 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.474 -19.998 -4.931 1.00 0.00 H new ATOM 337 N PRO A 24 8.764 -21.246 -2.398 1.00 0.00 N ATOM 338 CA PRO A 24 7.315 -21.138 -2.463 1.00 0.00 C ATOM 339 C PRO A 24 6.809 -20.005 -1.568 1.00 0.00 C ATOM 340 O PRO A 24 6.224 -20.257 -0.514 1.00 0.00 O ATOM 341 CB PRO A 24 6.800 -22.505 -2.042 1.00 0.00 C ATOM 342 CG PRO A 24 7.953 -23.178 -1.314 1.00 0.00 C ATOM 343 CD PRO A 24 9.216 -22.385 -1.604 1.00 0.00 C ATOM 0 HA PRO A 24 6.956 -20.882 -3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.929 -22.412 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.490 -23.090 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.760 -23.210 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.065 -24.209 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.699 -22.059 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.944 -22.985 -2.151 1.00 0.00 H new ATOM 351 N THR A 25 7.051 -18.784 -2.017 1.00 0.00 N ATOM 352 CA THR A 25 6.627 -17.613 -1.270 1.00 0.00 C ATOM 353 C THR A 25 6.032 -16.564 -2.211 1.00 0.00 C ATOM 354 O THR A 25 6.102 -16.710 -3.431 1.00 0.00 O ATOM 355 CB THR A 25 7.826 -17.099 -0.470 1.00 0.00 C ATOM 356 OG1 THR A 25 8.945 -17.371 -1.312 1.00 0.00 O ATOM 357 CG2 THR A 25 8.095 -17.935 0.784 1.00 0.00 C ATOM 0 H THR A 25 7.536 -18.579 -2.891 1.00 0.00 H new ATOM 0 HA THR A 25 5.832 -17.862 -0.567 1.00 0.00 H new ATOM 0 HB THR A 25 7.655 -16.061 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.767 -17.068 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.956 -17.528 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.221 -17.907 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.301 -18.966 0.497 1.00 0.00 H new ATOM 365 N ILE A 26 5.461 -15.531 -1.612 1.00 0.00 N ATOM 366 CA ILE A 26 4.855 -14.458 -2.382 1.00 0.00 C ATOM 367 C ILE A 26 5.706 -13.194 -2.247 1.00 0.00 C ATOM 368 O ILE A 26 6.108 -12.824 -1.146 1.00 0.00 O ATOM 369 CB ILE A 26 3.394 -14.263 -1.971 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.512 -13.987 -3.191 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.265 -13.164 -0.913 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.028 -14.048 -2.819 1.00 0.00 C ATOM 0 H ILE A 26 5.405 -15.413 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 26 4.833 -14.715 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 26 3.040 -15.190 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.748 -13.005 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.725 -14.717 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.217 -13.045 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.843 -13.439 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.643 -12.225 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.423 -13.848 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.790 -15.039 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.813 -13.300 -2.056 1.00 0.00 H new ATOM 384 N GLN A 27 5.958 -12.567 -3.387 1.00 0.00 N ATOM 385 CA GLN A 27 6.756 -11.353 -3.411 1.00 0.00 C ATOM 386 C GLN A 27 5.905 -10.167 -3.870 1.00 0.00 C ATOM 387 O GLN A 27 5.996 -9.742 -5.020 1.00 0.00 O ATOM 388 CB GLN A 27 7.987 -11.523 -4.304 1.00 0.00 C ATOM 389 CG GLN A 27 9.252 -11.715 -3.465 1.00 0.00 C ATOM 390 CD GLN A 27 10.478 -11.920 -4.357 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.643 -11.284 -5.384 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.324 -12.844 -3.908 1.00 0.00 N ATOM 0 H GLN A 27 5.624 -12.877 -4.300 1.00 0.00 H new ATOM 0 HA GLN A 27 7.107 -11.153 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.848 -12.382 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.100 -10.648 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.404 -10.845 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.129 -12.575 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.124 -13.339 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.172 -13.057 -4.433 1.00 0.00 H new ATOM 401 N LEU A 28 5.097 -9.666 -2.948 1.00 0.00 N ATOM 402 CA LEU A 28 4.231 -8.540 -3.244 1.00 0.00 C ATOM 403 C LEU A 28 4.902 -7.248 -2.774 1.00 0.00 C ATOM 404 O LEU A 28 5.017 -7.005 -1.573 1.00 0.00 O ATOM 405 CB LEU A 28 2.838 -8.762 -2.647 1.00 0.00 C ATOM 406 CG LEU A 28 2.337 -10.207 -2.633 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.422 -10.460 -1.434 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.658 -10.563 -3.958 1.00 0.00 C ATOM 0 H LEU A 28 5.024 -10.020 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 28 4.081 -8.449 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.840 -8.389 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.124 -8.156 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 28 3.198 -10.866 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.080 -11.495 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.971 -10.272 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.561 -9.793 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.311 -11.596 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.809 -9.900 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.371 -10.448 -4.775 1.00 0.00 H new ATOM 420 N LEU A 29 5.329 -6.453 -3.744 1.00 0.00 N ATOM 421 CA LEU A 29 5.987 -5.193 -3.446 1.00 0.00 C ATOM 422 C LEU A 29 5.095 -4.037 -3.904 1.00 0.00 C ATOM 423 O LEU A 29 4.605 -4.037 -5.033 1.00 0.00 O ATOM 424 CB LEU A 29 7.392 -5.165 -4.050 1.00 0.00 C ATOM 425 CG LEU A 29 7.609 -6.043 -5.283 1.00 0.00 C ATOM 426 CD1 LEU A 29 6.857 -5.488 -6.493 1.00 0.00 C ATOM 427 CD2 LEU A 29 9.100 -6.225 -5.570 1.00 0.00 C ATOM 0 H LEU A 29 5.232 -6.658 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 29 6.127 -5.081 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.632 -4.135 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.102 -5.470 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 29 7.197 -7.030 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.029 -6.132 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.790 -5.453 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.215 -4.482 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.227 -6.853 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.557 -5.252 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.580 -6.700 -4.714 1.00 0.00 H new ATOM 439 N CYS A 30 4.914 -3.078 -3.007 1.00 0.00 N ATOM 440 CA CYS A 30 4.093 -1.918 -3.307 1.00 0.00 C ATOM 441 C CYS A 30 4.993 -0.830 -3.894 1.00 0.00 C ATOM 442 O CYS A 30 6.177 -0.758 -3.572 1.00 0.00 O ATOM 443 CB CYS A 30 3.336 -1.427 -2.072 1.00 0.00 C ATOM 444 SG CYS A 30 1.534 -1.218 -2.308 1.00 0.00 S ATOM 0 H CYS A 30 5.322 -3.081 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 30 3.330 -2.189 -4.037 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.502 -2.132 -1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.760 -0.473 -1.759 1.00 0.00 H new ATOM 449 N LEU A 31 4.395 -0.011 -4.747 1.00 0.00 N ATOM 450 CA LEU A 31 5.129 1.071 -5.382 1.00 0.00 C ATOM 451 C LEU A 31 4.570 2.412 -4.903 1.00 0.00 C ATOM 452 O LEU A 31 3.574 2.900 -5.437 1.00 0.00 O ATOM 453 CB LEU A 31 5.115 0.907 -6.904 1.00 0.00 C ATOM 454 CG LEU A 31 6.398 0.361 -7.532 1.00 0.00 C ATOM 455 CD1 LEU A 31 6.614 -1.106 -7.152 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.396 0.565 -9.050 1.00 0.00 C ATOM 0 H LEU A 31 3.412 -0.075 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 31 6.179 1.041 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.293 0.243 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.899 1.877 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 31 7.240 0.925 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.533 -1.469 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.691 -1.194 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.772 -1.701 -7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.319 0.168 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.544 0.043 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.323 1.629 -9.274 1.00 0.00 H new ATOM 468 N VAL A 32 5.235 2.971 -3.903 1.00 0.00 N ATOM 469 CA VAL A 32 4.816 4.246 -3.345 1.00 0.00 C ATOM 470 C VAL A 32 6.013 5.197 -3.305 1.00 0.00 C ATOM 471 O VAL A 32 6.929 5.015 -2.505 1.00 0.00 O ATOM 472 CB VAL A 32 4.176 4.032 -1.972 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.238 3.999 -0.872 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.121 5.102 -1.686 1.00 0.00 C ATOM 0 H VAL A 32 6.061 2.565 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 32 4.055 4.707 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 32 3.675 3.064 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.757 3.846 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.935 3.183 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.780 4.945 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.682 4.927 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.588 6.087 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.341 5.056 -2.446 1.00 0.00 H new ATOM 484 N SER A 33 5.967 6.193 -4.179 1.00 0.00 N ATOM 485 CA SER A 33 7.035 7.173 -4.253 1.00 0.00 C ATOM 486 C SER A 33 6.473 8.530 -4.684 1.00 0.00 C ATOM 487 O SER A 33 5.275 8.660 -4.930 1.00 0.00 O ATOM 488 CB SER A 33 8.131 6.722 -5.219 1.00 0.00 C ATOM 489 OG SER A 33 7.593 6.200 -6.430 1.00 0.00 O ATOM 0 H SER A 33 5.206 6.341 -4.842 1.00 0.00 H new ATOM 0 HA SER A 33 7.479 7.269 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.784 7.565 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.747 5.962 -4.739 1.00 0.00 H new ATOM 0 HG SER A 33 8.325 5.924 -7.021 1.00 0.00 H new ATOM 495 N GLY A 34 7.366 9.506 -4.763 1.00 0.00 N ATOM 496 CA GLY A 34 6.973 10.847 -5.161 1.00 0.00 C ATOM 497 C GLY A 34 6.381 11.619 -3.980 1.00 0.00 C ATOM 498 O GLY A 34 6.734 12.775 -3.751 1.00 0.00 O ATOM 0 H GLY A 34 8.359 9.395 -4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.838 11.382 -5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.241 10.791 -5.967 1.00 0.00 H new ATOM 502 N TYR A 35 5.493 10.948 -3.262 1.00 0.00 N ATOM 503 CA TYR A 35 4.850 11.557 -2.109 1.00 0.00 C ATOM 504 C TYR A 35 5.874 11.898 -1.026 1.00 0.00 C ATOM 505 O TYR A 35 6.886 11.211 -0.885 1.00 0.00 O ATOM 506 CB TYR A 35 3.880 10.505 -1.566 1.00 0.00 C ATOM 507 CG TYR A 35 4.565 9.259 -1.002 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.334 9.350 0.141 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.414 8.043 -1.637 1.00 0.00 C ATOM 510 CE1 TYR A 35 5.978 8.176 0.670 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.059 6.869 -1.106 1.00 0.00 C ATOM 512 CZ TYR A 35 5.810 6.994 0.020 1.00 0.00 C ATOM 513 OH TYR A 35 6.418 5.886 0.521 1.00 0.00 O ATOM 0 H TYR A 35 5.203 9.989 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 35 4.349 12.483 -2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.270 10.957 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.202 10.204 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.452 10.301 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.813 7.971 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.581 8.233 1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.948 5.911 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 35 7.019 6.144 1.251 1.00 0.00 H new ATOM 523 N THR A 36 5.576 12.957 -0.288 1.00 0.00 N ATOM 524 CA THR A 36 6.461 13.397 0.779 1.00 0.00 C ATOM 525 C THR A 36 7.904 13.465 0.281 1.00 0.00 C ATOM 526 O THR A 36 8.375 12.553 -0.397 1.00 0.00 O ATOM 527 CB THR A 36 6.271 12.454 1.970 1.00 0.00 C ATOM 528 OG1 THR A 36 4.857 12.292 2.062 1.00 0.00 O ATOM 529 CG2 THR A 36 6.659 13.105 3.299 1.00 0.00 C ATOM 0 H THR A 36 4.736 13.523 -0.407 1.00 0.00 H new ATOM 0 HA THR A 36 6.216 14.408 1.105 1.00 0.00 H new ATOM 0 HB THR A 36 6.867 11.554 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.451 13.129 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.505 12.394 4.111 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.708 13.399 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.040 13.986 3.467 1.00 0.00 H new ATOM 537 N PRO A 37 8.588 14.583 0.650 1.00 0.00 N ATOM 538 CA PRO A 37 9.969 14.781 0.247 1.00 0.00 C ATOM 539 C PRO A 37 10.911 13.895 1.067 1.00 0.00 C ATOM 540 O PRO A 37 12.101 13.805 0.767 1.00 0.00 O ATOM 541 CB PRO A 37 10.228 16.266 0.446 1.00 0.00 C ATOM 542 CG PRO A 37 9.138 16.756 1.385 1.00 0.00 C ATOM 543 CD PRO A 37 8.063 15.682 1.453 1.00 0.00 C ATOM 0 HA PRO A 37 10.151 14.494 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.217 16.437 0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.194 16.799 -0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.547 16.950 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.717 17.695 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.880 15.369 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.115 16.045 1.056 1.00 0.00 H new ATOM 551 N GLY A 38 10.343 13.263 2.082 1.00 0.00 N ATOM 552 CA GLY A 38 11.117 12.387 2.946 1.00 0.00 C ATOM 553 C GLY A 38 10.463 11.008 3.056 1.00 0.00 C ATOM 554 O GLY A 38 10.908 10.167 3.836 1.00 0.00 O ATOM 0 H GLY A 38 9.356 13.339 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.128 12.283 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.204 12.832 3.937 1.00 0.00 H new ATOM 558 N THR A 39 9.420 10.819 2.263 1.00 0.00 N ATOM 559 CA THR A 39 8.699 9.555 2.261 1.00 0.00 C ATOM 560 C THR A 39 7.565 9.586 3.286 1.00 0.00 C ATOM 561 O THR A 39 7.228 10.646 3.812 1.00 0.00 O ATOM 562 CB THR A 39 9.711 8.434 2.507 1.00 0.00 C ATOM 563 OG1 THR A 39 9.289 7.389 1.637 1.00 0.00 O ATOM 564 CG2 THR A 39 9.585 7.830 3.906 1.00 0.00 C ATOM 0 H THR A 39 9.055 11.519 1.617 1.00 0.00 H new ATOM 0 HA THR A 39 8.219 9.374 1.299 1.00 0.00 H new ATOM 0 HB THR A 39 10.721 8.819 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.355 7.536 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.325 7.040 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.754 8.605 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.586 7.414 4.034 1.00 0.00 H new ATOM 572 N ILE A 40 7.010 8.411 3.540 1.00 0.00 N ATOM 573 CA ILE A 40 5.919 8.290 4.495 1.00 0.00 C ATOM 574 C ILE A 40 6.170 7.083 5.400 1.00 0.00 C ATOM 575 O ILE A 40 7.302 6.833 5.809 1.00 0.00 O ATOM 576 CB ILE A 40 4.573 8.247 3.768 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.503 7.051 2.816 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.294 9.568 3.052 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.524 7.319 1.673 1.00 0.00 C ATOM 0 H ILE A 40 7.294 7.534 3.103 1.00 0.00 H new ATOM 0 HA ILE A 40 5.878 9.168 5.140 1.00 0.00 H new ATOM 0 HB ILE A 40 3.787 8.113 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.494 6.845 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.193 6.162 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.332 9.510 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.272 10.379 3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.080 9.759 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.493 6.454 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.529 7.500 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.851 8.194 1.112 1.00 0.00 H new ATOM 591 N ASN A 41 5.096 6.362 5.682 1.00 0.00 N ATOM 592 CA ASN A 41 5.184 5.186 6.530 1.00 0.00 C ATOM 593 C ASN A 41 4.974 3.930 5.678 1.00 0.00 C ATOM 594 O ASN A 41 4.404 4.004 4.592 1.00 0.00 O ATOM 595 CB ASN A 41 4.107 5.207 7.616 1.00 0.00 C ATOM 596 CG ASN A 41 4.714 5.517 8.986 1.00 0.00 C ATOM 597 OD1 ASN A 41 5.878 5.862 9.113 1.00 0.00 O ATOM 598 ND2 ASN A 41 3.865 5.377 9.999 1.00 0.00 N ATOM 0 H ASN A 41 4.159 6.570 5.338 1.00 0.00 H new ATOM 0 HA ASN A 41 6.168 5.182 6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.353 5.955 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.600 4.243 7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.175 5.562 10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.904 5.085 9.822 1.00 0.00 H new ATOM 605 N ILE A 42 5.446 2.811 6.207 1.00 0.00 N ATOM 606 CA ILE A 42 5.315 1.544 5.508 1.00 0.00 C ATOM 607 C ILE A 42 4.633 0.527 6.428 1.00 0.00 C ATOM 608 O ILE A 42 5.077 0.307 7.553 1.00 0.00 O ATOM 609 CB ILE A 42 6.676 1.080 4.980 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.449 2.246 4.360 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.516 -0.085 4.003 1.00 0.00 C ATOM 612 CD1 ILE A 42 6.682 2.846 3.182 1.00 0.00 C ATOM 0 H ILE A 42 5.919 2.755 7.109 1.00 0.00 H new ATOM 0 HA ILE A 42 4.679 1.657 4.630 1.00 0.00 H new ATOM 0 HB ILE A 42 7.264 0.715 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.623 3.014 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.427 1.901 4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.497 -0.395 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.034 -0.921 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.903 0.230 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.253 3.673 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.531 2.082 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.715 3.212 3.526 1.00 0.00 H new ATOM 624 N THR A 43 3.567 -0.064 5.913 1.00 0.00 N ATOM 625 CA THR A 43 2.819 -1.052 6.673 1.00 0.00 C ATOM 626 C THR A 43 2.003 -1.941 5.734 1.00 0.00 C ATOM 627 O THR A 43 1.759 -1.578 4.584 1.00 0.00 O ATOM 628 CB THR A 43 1.966 -0.309 7.703 1.00 0.00 C ATOM 629 OG1 THR A 43 2.865 0.627 8.289 1.00 0.00 O ATOM 630 CG2 THR A 43 1.545 -1.204 8.871 1.00 0.00 C ATOM 0 H THR A 43 3.202 0.121 4.979 1.00 0.00 H new ATOM 0 HA THR A 43 3.486 -1.727 7.209 1.00 0.00 H new ATOM 0 HB THR A 43 1.078 0.093 7.216 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.710 0.179 8.504 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.942 -0.627 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.960 -2.043 8.494 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.433 -1.580 9.380 1.00 0.00 H new ATOM 638 N TRP A 44 1.600 -3.090 6.259 1.00 0.00 N ATOM 639 CA TRP A 44 0.815 -4.033 5.482 1.00 0.00 C ATOM 640 C TRP A 44 -0.248 -4.637 6.404 1.00 0.00 C ATOM 641 O TRP A 44 0.067 -5.108 7.496 1.00 0.00 O ATOM 642 CB TRP A 44 1.712 -5.090 4.835 1.00 0.00 C ATOM 643 CG TRP A 44 2.788 -4.514 3.910 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.754 -3.638 4.216 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.966 -4.808 2.509 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.540 -3.348 3.119 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.043 -4.083 2.048 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.238 -5.660 1.659 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.495 -4.135 0.724 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.700 -5.702 0.338 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.783 -4.977 -0.142 1.00 0.00 C ATOM 0 H TRP A 44 1.803 -3.388 7.213 1.00 0.00 H new ATOM 0 HA TRP A 44 0.314 -3.528 4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.196 -5.671 5.620 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.090 -5.780 4.265 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.900 -3.212 5.198 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.338 -2.712 3.098 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.390 -6.236 1.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.345 -3.559 0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.178 -6.343 -0.356 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.076 -5.061 -1.178 1.00 0.00 H new ATOM 662 N LEU A 45 -1.485 -4.600 5.929 1.00 0.00 N ATOM 663 CA LEU A 45 -2.596 -5.135 6.697 1.00 0.00 C ATOM 664 C LEU A 45 -2.665 -6.651 6.496 1.00 0.00 C ATOM 665 O LEU A 45 -3.221 -7.126 5.508 1.00 0.00 O ATOM 666 CB LEU A 45 -3.893 -4.408 6.339 1.00 0.00 C ATOM 667 CG LEU A 45 -4.808 -4.053 7.514 1.00 0.00 C ATOM 668 CD1 LEU A 45 -6.130 -3.460 7.020 1.00 0.00 C ATOM 669 CD2 LEU A 45 -5.027 -5.264 8.425 1.00 0.00 C ATOM 0 H LEU A 45 -1.742 -4.208 5.023 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.443 -4.960 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.638 -3.489 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.454 -5.030 5.642 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.315 -3.286 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.761 -3.217 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.931 -2.555 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.640 -4.186 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.680 -4.984 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.488 -6.070 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.068 -5.601 8.819 1.00 0.00 H new ATOM 681 N GLU A 46 -2.090 -7.370 7.449 1.00 0.00 N ATOM 682 CA GLU A 46 -2.079 -8.821 7.390 1.00 0.00 C ATOM 683 C GLU A 46 -3.210 -9.396 8.248 1.00 0.00 C ATOM 684 O GLU A 46 -3.309 -9.088 9.435 1.00 0.00 O ATOM 685 CB GLU A 46 -0.723 -9.378 7.823 1.00 0.00 C ATOM 686 CG GLU A 46 -0.801 -10.886 8.063 1.00 0.00 C ATOM 687 CD GLU A 46 -1.437 -11.196 9.420 1.00 0.00 C ATOM 688 OE1 GLU A 46 -1.101 -10.551 10.424 1.00 0.00 O ATOM 689 OE2 GLU A 46 -2.314 -12.143 9.408 1.00 0.00 O ATOM 0 H GLU A 46 -1.628 -6.974 8.267 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.244 -9.124 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.023 -9.166 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.395 -8.878 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.384 -11.354 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.200 -11.316 8.020 1.00 0.00 H new ATOM 697 N ASP A 47 -4.029 -10.221 7.615 1.00 0.00 N ATOM 698 CA ASP A 47 -5.148 -10.841 8.306 1.00 0.00 C ATOM 699 C ASP A 47 -5.213 -12.324 7.934 1.00 0.00 C ATOM 700 O ASP A 47 -5.885 -12.696 6.974 1.00 0.00 O ATOM 701 CB ASP A 47 -6.471 -10.193 7.903 1.00 0.00 C ATOM 702 CG ASP A 47 -7.348 -9.732 9.070 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.281 -8.572 9.499 1.00 0.00 O ATOM 704 OD2 ASP A 47 -8.138 -10.634 9.547 1.00 0.00 O ATOM 0 H ASP A 47 -3.941 -10.475 6.631 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.996 -10.712 9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.258 -9.334 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.038 -10.903 7.301 1.00 0.00 H new ATOM 710 N GLY A 48 -4.504 -13.129 8.709 1.00 0.00 N ATOM 711 CA GLY A 48 -4.473 -14.563 8.473 1.00 0.00 C ATOM 712 C GLY A 48 -3.075 -15.131 8.733 1.00 0.00 C ATOM 713 O GLY A 48 -2.610 -16.001 7.998 1.00 0.00 O ATOM 0 H GLY A 48 -3.945 -12.816 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.197 -15.058 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.769 -14.773 7.445 1.00 0.00 H new ATOM 717 N GLN A 49 -2.449 -14.618 9.782 1.00 0.00 N ATOM 718 CA GLN A 49 -1.115 -15.065 10.147 1.00 0.00 C ATOM 719 C GLN A 49 -0.442 -14.035 11.057 1.00 0.00 C ATOM 720 O GLN A 49 -0.061 -12.956 10.607 1.00 0.00 O ATOM 721 CB GLN A 49 -0.266 -15.332 8.902 1.00 0.00 C ATOM 722 CG GLN A 49 -0.378 -14.180 7.902 1.00 0.00 C ATOM 723 CD GLN A 49 0.654 -14.324 6.782 1.00 0.00 C ATOM 724 OE1 GLN A 49 1.252 -15.369 6.586 1.00 0.00 O ATOM 725 NE2 GLN A 49 0.826 -13.220 6.061 1.00 0.00 N ATOM 0 H GLN A 49 -2.840 -13.898 10.390 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.204 -16.003 10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.776 -15.467 9.191 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.589 -16.260 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.381 -14.159 7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.231 -13.231 8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.292 -12.379 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.492 -13.214 5.289 1.00 0.00 H new ATOM 734 N VAL A 50 -0.317 -14.404 12.324 1.00 0.00 N ATOM 735 CA VAL A 50 0.302 -13.527 13.301 1.00 0.00 C ATOM 736 C VAL A 50 1.747 -13.243 12.884 1.00 0.00 C ATOM 737 O VAL A 50 2.076 -13.302 11.698 1.00 0.00 O ATOM 738 CB VAL A 50 0.196 -14.142 14.699 1.00 0.00 C ATOM 739 CG1 VAL A 50 1.345 -15.118 14.959 1.00 0.00 C ATOM 740 CG2 VAL A 50 0.146 -13.054 15.775 1.00 0.00 C ATOM 0 H VAL A 50 -0.635 -15.299 12.695 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.220 -12.571 13.339 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.737 -14.704 14.747 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.245 -15.540 15.959 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.315 -15.920 14.222 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.295 -14.590 14.882 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.071 -13.518 16.758 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.053 -12.452 15.726 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.722 -12.416 15.607 1.00 0.00 H new ATOM 750 N MET A 51 2.569 -12.940 13.876 1.00 0.00 N ATOM 751 CA MET A 51 3.970 -12.648 13.626 1.00 0.00 C ATOM 752 C MET A 51 4.710 -13.891 13.127 1.00 0.00 C ATOM 753 O MET A 51 5.721 -14.289 13.703 1.00 0.00 O ATOM 754 CB MET A 51 4.625 -12.148 14.915 1.00 0.00 C ATOM 755 CG MET A 51 5.507 -10.928 14.644 1.00 0.00 C ATOM 756 SD MET A 51 7.217 -11.427 14.521 1.00 0.00 S ATOM 757 CE MET A 51 8.002 -9.826 14.439 1.00 0.00 C ATOM 0 H MET A 51 2.292 -12.890 14.856 1.00 0.00 H new ATOM 0 HA MET A 51 4.029 -11.880 12.855 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.855 -11.890 15.642 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.225 -12.945 15.355 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.194 -10.441 13.720 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.389 -10.198 15.445 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.082 -9.954 14.359 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.635 -9.285 13.567 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.770 -9.260 15.341 1.00 0.00 H new ATOM 767 N ASP A 52 4.176 -14.468 12.059 1.00 0.00 N ATOM 768 CA ASP A 52 4.773 -15.657 11.477 1.00 0.00 C ATOM 769 C ASP A 52 6.118 -15.289 10.844 1.00 0.00 C ATOM 770 O ASP A 52 6.823 -14.415 11.343 1.00 0.00 O ATOM 771 CB ASP A 52 3.879 -16.239 10.379 1.00 0.00 C ATOM 772 CG ASP A 52 3.929 -17.762 10.247 1.00 0.00 C ATOM 773 OD1 ASP A 52 4.761 -18.314 9.512 1.00 0.00 O ATOM 774 OD2 ASP A 52 3.050 -18.399 10.946 1.00 0.00 O ATOM 0 H ASP A 52 3.338 -14.134 11.583 1.00 0.00 H new ATOM 0 HA ASP A 52 4.900 -16.394 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.849 -15.939 10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.166 -15.797 9.425 1.00 0.00 H new ATOM 780 N VAL A 53 6.432 -15.978 9.756 1.00 0.00 N ATOM 781 CA VAL A 53 7.678 -15.736 9.052 1.00 0.00 C ATOM 782 C VAL A 53 7.379 -15.065 7.710 1.00 0.00 C ATOM 783 O VAL A 53 8.063 -15.319 6.719 1.00 0.00 O ATOM 784 CB VAL A 53 8.459 -17.044 8.906 1.00 0.00 C ATOM 785 CG1 VAL A 53 9.510 -16.934 7.799 1.00 0.00 C ATOM 786 CG2 VAL A 53 9.101 -17.450 10.234 1.00 0.00 C ATOM 0 H VAL A 53 5.844 -16.704 9.346 1.00 0.00 H new ATOM 0 HA VAL A 53 8.312 -15.056 9.621 1.00 0.00 H new ATOM 0 HB VAL A 53 7.754 -17.826 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.051 -17.877 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.019 -16.713 6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.210 -16.134 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.650 -18.383 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.787 -16.668 10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.324 -17.589 10.986 1.00 0.00 H new ATOM 796 N ASP A 54 6.358 -14.220 7.722 1.00 0.00 N ATOM 797 CA ASP A 54 5.961 -13.510 6.519 1.00 0.00 C ATOM 798 C ASP A 54 5.622 -12.061 6.874 1.00 0.00 C ATOM 799 O ASP A 54 4.636 -11.802 7.564 1.00 0.00 O ATOM 800 CB ASP A 54 4.720 -14.145 5.890 1.00 0.00 C ATOM 801 CG ASP A 54 4.790 -15.664 5.709 1.00 0.00 C ATOM 802 OD1 ASP A 54 3.764 -16.331 5.503 1.00 0.00 O ATOM 803 OD2 ASP A 54 5.975 -16.167 5.788 1.00 0.00 O ATOM 0 H ASP A 54 5.794 -14.012 8.546 1.00 0.00 H new ATOM 0 HA ASP A 54 6.789 -13.557 5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.855 -13.908 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.550 -13.686 4.916 1.00 0.00 H new ATOM 809 N LEU A 55 6.459 -11.157 6.389 1.00 0.00 N ATOM 810 CA LEU A 55 6.261 -9.740 6.649 1.00 0.00 C ATOM 811 C LEU A 55 6.573 -8.945 5.379 1.00 0.00 C ATOM 812 O LEU A 55 7.245 -9.447 4.478 1.00 0.00 O ATOM 813 CB LEU A 55 7.075 -9.299 7.865 1.00 0.00 C ATOM 814 CG LEU A 55 8.168 -8.261 7.601 1.00 0.00 C ATOM 815 CD1 LEU A 55 9.133 -8.744 6.517 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.560 -6.898 7.262 1.00 0.00 C ATOM 0 H LEU A 55 7.275 -11.377 5.818 1.00 0.00 H new ATOM 0 HA LEU A 55 5.220 -9.541 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.389 -8.894 8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.539 -10.181 8.306 1.00 0.00 H new ATOM 0 HG LEU A 55 8.748 -8.136 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.900 -7.988 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.604 -9.673 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.584 -8.916 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.358 -6.179 7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.941 -6.988 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.947 -6.555 8.096 1.00 0.00 H new ATOM 828 N SER A 56 6.071 -7.719 5.348 1.00 0.00 N ATOM 829 CA SER A 56 6.289 -6.852 4.203 1.00 0.00 C ATOM 830 C SER A 56 6.939 -5.542 4.655 1.00 0.00 C ATOM 831 O SER A 56 6.493 -4.925 5.621 1.00 0.00 O ATOM 832 CB SER A 56 4.975 -6.568 3.471 1.00 0.00 C ATOM 833 OG SER A 56 3.850 -7.103 4.162 1.00 0.00 O ATOM 0 H SER A 56 5.515 -7.306 6.097 1.00 0.00 H new ATOM 0 HA SER A 56 6.958 -7.361 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.850 -5.491 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.020 -6.993 2.468 1.00 0.00 H new ATOM 0 HG SER A 56 3.026 -6.732 3.782 1.00 0.00 H new ATOM 839 N THR A 57 7.982 -5.157 3.936 1.00 0.00 N ATOM 840 CA THR A 57 8.699 -3.934 4.252 1.00 0.00 C ATOM 841 C THR A 57 8.975 -3.134 2.977 1.00 0.00 C ATOM 842 O THR A 57 8.972 -3.687 1.879 1.00 0.00 O ATOM 843 CB THR A 57 9.968 -4.311 5.016 1.00 0.00 C ATOM 844 OG1 THR A 57 9.750 -5.666 5.403 1.00 0.00 O ATOM 845 CG2 THR A 57 10.096 -3.563 6.344 1.00 0.00 C ATOM 0 H THR A 57 8.348 -5.671 3.135 1.00 0.00 H new ATOM 0 HA THR A 57 8.102 -3.281 4.888 1.00 0.00 H new ATOM 0 HB THR A 57 10.840 -4.103 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.609 -6.090 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.014 -3.868 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.124 -2.490 6.156 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.241 -3.798 6.978 1.00 0.00 H new ATOM 853 N ALA A 58 9.204 -1.842 3.165 1.00 0.00 N ATOM 854 CA ALA A 58 9.481 -0.960 2.043 1.00 0.00 C ATOM 855 C ALA A 58 10.727 -0.128 2.351 1.00 0.00 C ATOM 856 O ALA A 58 11.020 0.153 3.513 1.00 0.00 O ATOM 857 CB ALA A 58 8.253 -0.090 1.763 1.00 0.00 C ATOM 0 H ALA A 58 9.203 -1.385 4.077 1.00 0.00 H new ATOM 0 HA ALA A 58 9.684 -1.537 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.460 0.572 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.402 -0.728 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.021 0.507 2.645 1.00 0.00 H new ATOM 863 N SER A 59 11.427 0.247 1.290 1.00 0.00 N ATOM 864 CA SER A 59 12.634 1.043 1.431 1.00 0.00 C ATOM 865 C SER A 59 12.358 2.491 1.021 1.00 0.00 C ATOM 866 O SER A 59 11.447 2.754 0.237 1.00 0.00 O ATOM 867 CB SER A 59 13.777 0.462 0.596 1.00 0.00 C ATOM 868 OG SER A 59 14.884 0.071 1.404 1.00 0.00 O ATOM 0 H SER A 59 11.181 0.014 0.328 1.00 0.00 H new ATOM 0 HA SER A 59 12.938 1.021 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.415 -0.400 0.036 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.105 1.202 -0.134 1.00 0.00 H new ATOM 0 HG SER A 59 15.592 -0.296 0.834 1.00 0.00 H new ATOM 874 N THR A 60 13.161 3.392 1.568 1.00 0.00 N ATOM 875 CA THR A 60 13.013 4.804 1.270 1.00 0.00 C ATOM 876 C THR A 60 14.142 5.275 0.348 1.00 0.00 C ATOM 877 O THR A 60 15.284 4.838 0.487 1.00 0.00 O ATOM 878 CB THR A 60 12.958 5.564 2.596 1.00 0.00 C ATOM 879 OG1 THR A 60 12.294 4.668 3.483 1.00 0.00 O ATOM 880 CG2 THR A 60 12.032 6.781 2.535 1.00 0.00 C ATOM 0 H THR A 60 13.916 3.170 2.216 1.00 0.00 H new ATOM 0 HA THR A 60 12.088 4.999 0.728 1.00 0.00 H new ATOM 0 HB THR A 60 13.962 5.885 2.872 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.217 5.081 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.029 7.285 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.386 7.470 1.768 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.020 6.457 2.292 1.00 0.00 H new ATOM 888 N THR A 61 13.782 6.158 -0.571 1.00 0.00 N ATOM 889 CA THR A 61 14.748 6.690 -1.516 1.00 0.00 C ATOM 890 C THR A 61 14.466 8.169 -1.790 1.00 0.00 C ATOM 891 O THR A 61 13.342 8.634 -1.613 1.00 0.00 O ATOM 892 CB THR A 61 14.708 5.821 -2.775 1.00 0.00 C ATOM 893 OG1 THR A 61 13.440 5.176 -2.711 1.00 0.00 O ATOM 894 CG2 THR A 61 15.716 4.670 -2.724 1.00 0.00 C ATOM 0 H THR A 61 12.834 6.519 -0.681 1.00 0.00 H new ATOM 0 HA THR A 61 15.759 6.653 -1.111 1.00 0.00 H new ATOM 0 HB THR A 61 14.908 6.440 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.740 5.845 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.647 4.085 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.724 5.073 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.496 4.031 -1.868 1.00 0.00 H new ATOM 902 N GLN A 62 15.509 8.868 -2.217 1.00 0.00 N ATOM 903 CA GLN A 62 15.387 10.284 -2.518 1.00 0.00 C ATOM 904 C GLN A 62 15.255 10.497 -4.026 1.00 0.00 C ATOM 905 O GLN A 62 16.067 9.996 -4.802 1.00 0.00 O ATOM 906 CB GLN A 62 16.575 11.067 -1.954 1.00 0.00 C ATOM 907 CG GLN A 62 16.145 12.463 -1.496 1.00 0.00 C ATOM 908 CD GLN A 62 17.257 13.144 -0.696 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.438 12.907 -0.897 1.00 0.00 O ATOM 910 NE2 GLN A 62 16.816 14.001 0.220 1.00 0.00 N ATOM 0 H GLN A 62 16.441 8.480 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 62 14.484 10.662 -2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.008 10.523 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.352 11.153 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.891 13.072 -2.364 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.246 12.388 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.814 14.152 0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.480 14.507 0.806 1.00 0.00 H new ATOM 919 N GLU A 63 14.224 11.245 -4.397 1.00 0.00 N ATOM 920 CA GLU A 63 13.975 11.529 -5.801 1.00 0.00 C ATOM 921 C GLU A 63 13.867 13.040 -6.021 1.00 0.00 C ATOM 922 O GLU A 63 12.823 13.537 -6.442 1.00 0.00 O ATOM 923 CB GLU A 63 12.716 10.812 -6.290 1.00 0.00 C ATOM 924 CG GLU A 63 12.996 9.330 -6.551 1.00 0.00 C ATOM 925 CD GLU A 63 12.224 8.835 -7.775 1.00 0.00 C ATOM 926 OE1 GLU A 63 11.099 9.289 -8.025 1.00 0.00 O ATOM 927 OE2 GLU A 63 12.837 7.944 -8.481 1.00 0.00 O ATOM 0 H GLU A 63 13.553 11.662 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 63 14.815 11.154 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.925 10.911 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.356 11.284 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.065 9.179 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.714 8.743 -5.677 1.00 0.00 H new ATOM 935 N GLY A 64 14.962 13.729 -5.731 1.00 0.00 N ATOM 936 CA GLY A 64 15.004 15.172 -5.895 1.00 0.00 C ATOM 937 C GLY A 64 14.215 15.872 -4.786 1.00 0.00 C ATOM 938 O GLY A 64 14.672 15.946 -3.647 1.00 0.00 O ATOM 0 H GLY A 64 15.827 13.314 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.039 15.513 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.592 15.444 -6.867 1.00 0.00 H new ATOM 942 N GLU A 65 13.044 16.367 -5.159 1.00 0.00 N ATOM 943 CA GLU A 65 12.188 17.058 -4.211 1.00 0.00 C ATOM 944 C GLU A 65 11.065 16.132 -3.736 1.00 0.00 C ATOM 945 O GLU A 65 10.226 16.532 -2.931 1.00 0.00 O ATOM 946 CB GLU A 65 11.618 18.342 -4.820 1.00 0.00 C ATOM 947 CG GLU A 65 10.909 19.184 -3.758 1.00 0.00 C ATOM 948 CD GLU A 65 11.600 20.537 -3.579 1.00 0.00 C ATOM 949 OE1 GLU A 65 11.216 21.521 -4.229 1.00 0.00 O ATOM 950 OE2 GLU A 65 12.572 20.546 -2.729 1.00 0.00 O ATOM 0 H GLU A 65 12.668 16.303 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 65 12.790 17.340 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.422 18.922 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.918 18.091 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.869 19.338 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.901 18.647 -2.809 1.00 0.00 H new ATOM 958 N LEU A 66 11.087 14.914 -4.256 1.00 0.00 N ATOM 959 CA LEU A 66 10.083 13.928 -3.896 1.00 0.00 C ATOM 960 C LEU A 66 10.739 12.808 -3.087 1.00 0.00 C ATOM 961 O LEU A 66 11.950 12.823 -2.871 1.00 0.00 O ATOM 962 CB LEU A 66 9.345 13.436 -5.142 1.00 0.00 C ATOM 963 CG LEU A 66 8.603 14.504 -5.948 1.00 0.00 C ATOM 964 CD1 LEU A 66 8.591 14.155 -7.438 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.190 14.723 -5.401 1.00 0.00 C ATOM 0 H LEU A 66 11.785 14.587 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 66 9.321 14.376 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.066 12.949 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.627 12.675 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 66 9.140 15.447 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.058 14.930 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.615 14.089 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.091 13.197 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.685 15.487 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.629 13.790 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.248 15.048 -4.362 1.00 0.00 H new ATOM 977 N ALA A 67 9.910 11.865 -2.661 1.00 0.00 N ATOM 978 CA ALA A 67 10.397 10.740 -1.881 1.00 0.00 C ATOM 979 C ALA A 67 9.832 9.443 -2.460 1.00 0.00 C ATOM 980 O ALA A 67 8.618 9.246 -2.486 1.00 0.00 O ATOM 981 CB ALA A 67 10.018 10.937 -0.410 1.00 0.00 C ATOM 0 H ALA A 67 8.906 11.857 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 67 11.484 10.678 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.383 10.093 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.467 11.858 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.934 11.000 -0.319 1.00 0.00 H new ATOM 987 N SER A 68 10.740 8.589 -2.908 1.00 0.00 N ATOM 988 CA SER A 68 10.349 7.314 -3.487 1.00 0.00 C ATOM 989 C SER A 68 10.578 6.189 -2.477 1.00 0.00 C ATOM 990 O SER A 68 11.696 6.002 -1.996 1.00 0.00 O ATOM 991 CB SER A 68 11.119 7.034 -4.779 1.00 0.00 C ATOM 992 OG SER A 68 10.757 5.783 -5.355 1.00 0.00 O ATOM 0 H SER A 68 11.746 8.755 -2.882 1.00 0.00 H new ATOM 0 HA SER A 68 9.288 7.362 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.927 7.832 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.189 7.042 -4.572 1.00 0.00 H new ATOM 0 HG SER A 68 11.269 5.642 -6.179 1.00 0.00 H new ATOM 998 N THR A 69 9.506 5.468 -2.186 1.00 0.00 N ATOM 999 CA THR A 69 9.579 4.366 -1.242 1.00 0.00 C ATOM 1000 C THR A 69 9.017 3.090 -1.870 1.00 0.00 C ATOM 1001 O THR A 69 7.853 3.047 -2.264 1.00 0.00 O ATOM 1002 CB THR A 69 8.848 4.788 0.034 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.894 5.184 0.918 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.184 3.607 0.747 1.00 0.00 C ATOM 0 H THR A 69 8.582 5.625 -2.587 1.00 0.00 H new ATOM 0 HA THR A 69 10.612 4.135 -0.981 1.00 0.00 H new ATOM 0 HB THR A 69 8.093 5.535 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.626 5.994 1.400 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.679 3.962 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.456 3.143 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.943 2.875 1.022 1.00 0.00 H new ATOM 1012 N GLN A 70 9.871 2.078 -1.941 1.00 0.00 N ATOM 1013 CA GLN A 70 9.475 0.802 -2.515 1.00 0.00 C ATOM 1014 C GLN A 70 9.108 -0.187 -1.406 1.00 0.00 C ATOM 1015 O GLN A 70 9.911 -0.444 -0.510 1.00 0.00 O ATOM 1016 CB GLN A 70 10.580 0.238 -3.412 1.00 0.00 C ATOM 1017 CG GLN A 70 10.033 -0.859 -4.327 1.00 0.00 C ATOM 1018 CD GLN A 70 10.939 -2.090 -4.309 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.018 -2.109 -4.882 1.00 0.00 O ATOM 1020 NE2 GLN A 70 10.445 -3.117 -3.623 1.00 0.00 N ATOM 0 H GLN A 70 10.835 2.116 -1.611 1.00 0.00 H new ATOM 0 HA GLN A 70 8.595 0.962 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.009 1.039 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.384 -0.164 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.029 -1.137 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.949 -0.480 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.536 -3.036 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.975 -3.986 -3.553 1.00 0.00 H new ATOM 1029 N SER A 71 7.895 -0.711 -1.503 1.00 0.00 N ATOM 1030 CA SER A 71 7.412 -1.666 -0.520 1.00 0.00 C ATOM 1031 C SER A 71 7.483 -3.084 -1.089 1.00 0.00 C ATOM 1032 O SER A 71 7.336 -3.281 -2.294 1.00 0.00 O ATOM 1033 CB SER A 71 5.983 -1.338 -0.088 1.00 0.00 C ATOM 1034 OG SER A 71 5.719 -1.755 1.248 1.00 0.00 O ATOM 0 H SER A 71 7.232 -0.492 -2.247 1.00 0.00 H new ATOM 0 HA SER A 71 8.051 -1.602 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.817 -0.264 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.280 -1.823 -0.765 1.00 0.00 H new ATOM 0 HG SER A 71 4.875 -2.252 1.275 1.00 0.00 H new ATOM 1040 N GLU A 72 7.711 -4.036 -0.194 1.00 0.00 N ATOM 1041 CA GLU A 72 7.802 -5.430 -0.593 1.00 0.00 C ATOM 1042 C GLU A 72 7.082 -6.321 0.422 1.00 0.00 C ATOM 1043 O GLU A 72 6.836 -5.905 1.554 1.00 0.00 O ATOM 1044 CB GLU A 72 9.261 -5.859 -0.759 1.00 0.00 C ATOM 1045 CG GLU A 72 9.372 -7.373 -0.940 1.00 0.00 C ATOM 1046 CD GLU A 72 10.821 -7.791 -1.205 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.751 -7.127 -0.725 1.00 0.00 O ATOM 1048 OE2 GLU A 72 10.959 -8.844 -1.935 1.00 0.00 O ATOM 0 H GLU A 72 7.835 -3.869 0.804 1.00 0.00 H new ATOM 0 HA GLU A 72 7.312 -5.543 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.696 -5.354 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.836 -5.551 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.002 -7.877 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.741 -7.691 -1.770 1.00 0.00 H new ATOM 1056 N LEU A 73 6.764 -7.529 -0.020 1.00 0.00 N ATOM 1057 CA LEU A 73 6.077 -8.481 0.837 1.00 0.00 C ATOM 1058 C LEU A 73 6.649 -9.879 0.597 1.00 0.00 C ATOM 1059 O LEU A 73 6.915 -10.260 -0.541 1.00 0.00 O ATOM 1060 CB LEU A 73 4.564 -8.393 0.628 1.00 0.00 C ATOM 1061 CG LEU A 73 3.719 -9.400 1.414 1.00 0.00 C ATOM 1062 CD1 LEU A 73 4.304 -9.639 2.807 1.00 0.00 C ATOM 1063 CD2 LEU A 73 2.256 -8.960 1.474 1.00 0.00 C ATOM 0 H LEU A 73 6.969 -7.870 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 73 6.246 -8.241 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.238 -7.388 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.355 -8.524 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 73 3.746 -10.353 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.685 -10.358 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.317 -10.031 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.328 -8.699 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.679 -9.693 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.188 -7.989 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.857 -8.884 0.462 1.00 0.00 H new ATOM 1075 N THR A 74 6.821 -10.607 1.692 1.00 0.00 N ATOM 1076 CA THR A 74 7.359 -11.956 1.615 1.00 0.00 C ATOM 1077 C THR A 74 6.559 -12.899 2.517 1.00 0.00 C ATOM 1078 O THR A 74 6.574 -12.756 3.739 1.00 0.00 O ATOM 1079 CB THR A 74 8.846 -11.894 1.969 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.087 -10.511 2.214 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.745 -12.220 0.774 1.00 0.00 C ATOM 0 H THR A 74 6.598 -10.289 2.635 1.00 0.00 H new ATOM 0 HA THR A 74 7.267 -12.362 0.608 1.00 0.00 H new ATOM 0 HB THR A 74 9.055 -12.588 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.029 -10.380 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.790 -12.162 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.526 -13.227 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.560 -11.504 -0.027 1.00 0.00 H new ATOM 1089 N LEU A 75 5.881 -13.843 1.880 1.00 0.00 N ATOM 1090 CA LEU A 75 5.078 -14.809 2.609 1.00 0.00 C ATOM 1091 C LEU A 75 5.237 -16.187 1.963 1.00 0.00 C ATOM 1092 O LEU A 75 5.708 -16.297 0.834 1.00 0.00 O ATOM 1093 CB LEU A 75 3.626 -14.336 2.703 1.00 0.00 C ATOM 1094 CG LEU A 75 2.619 -15.089 1.829 1.00 0.00 C ATOM 1095 CD1 LEU A 75 1.889 -16.163 2.639 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.645 -14.119 1.157 1.00 0.00 C ATOM 0 H LEU A 75 5.872 -13.959 0.867 1.00 0.00 H new ATOM 0 HA LEU A 75 5.427 -14.897 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.305 -14.414 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.590 -13.280 2.437 1.00 0.00 H new ATOM 0 HG LEU A 75 3.166 -15.598 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.179 -16.684 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.613 -16.876 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.354 -15.695 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.940 -14.679 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.099 -13.564 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.200 -13.422 0.529 1.00 0.00 H new ATOM 1108 N SER A 76 4.834 -17.204 2.711 1.00 0.00 N ATOM 1109 CA SER A 76 4.926 -18.570 2.227 1.00 0.00 C ATOM 1110 C SER A 76 3.680 -18.921 1.410 1.00 0.00 C ATOM 1111 O SER A 76 2.579 -18.476 1.730 1.00 0.00 O ATOM 1112 CB SER A 76 5.095 -19.557 3.385 1.00 0.00 C ATOM 1113 OG SER A 76 6.451 -19.963 3.546 1.00 0.00 O ATOM 0 H SER A 76 4.443 -17.109 3.648 1.00 0.00 H new ATOM 0 HA SER A 76 5.806 -18.647 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.742 -19.097 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.472 -20.434 3.208 1.00 0.00 H new ATOM 0 HG SER A 76 6.518 -20.591 4.295 1.00 0.00 H new ATOM 1119 N GLN A 77 3.898 -19.714 0.372 1.00 0.00 N ATOM 1120 CA GLN A 77 2.805 -20.129 -0.493 1.00 0.00 C ATOM 1121 C GLN A 77 1.780 -20.942 0.298 1.00 0.00 C ATOM 1122 O GLN A 77 0.575 -20.729 0.165 1.00 0.00 O ATOM 1123 CB GLN A 77 3.328 -20.923 -1.692 1.00 0.00 C ATOM 1124 CG GLN A 77 2.367 -20.819 -2.879 1.00 0.00 C ATOM 1125 CD GLN A 77 2.317 -19.389 -3.421 1.00 0.00 C ATOM 1126 OE1 GLN A 77 2.881 -18.465 -2.858 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.612 -19.260 -4.541 1.00 0.00 N ATOM 0 H GLN A 77 4.813 -20.080 0.110 1.00 0.00 H new ATOM 0 HA GLN A 77 2.312 -19.236 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.310 -20.548 -1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.455 -21.969 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.684 -21.500 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.369 -21.130 -2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.165 -20.076 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.518 -18.345 -4.982 1.00 0.00 H new ATOM 1136 N LYS A 78 2.294 -21.859 1.106 1.00 0.00 N ATOM 1137 CA LYS A 78 1.439 -22.706 1.919 1.00 0.00 C ATOM 1138 C LYS A 78 0.464 -21.829 2.708 1.00 0.00 C ATOM 1139 O LYS A 78 -0.734 -22.105 2.745 1.00 0.00 O ATOM 1140 CB LYS A 78 2.281 -23.633 2.797 1.00 0.00 C ATOM 1141 CG LYS A 78 1.396 -24.619 3.561 1.00 0.00 C ATOM 1142 CD LYS A 78 2.149 -25.916 3.860 1.00 0.00 C ATOM 1143 CE LYS A 78 1.492 -26.678 5.011 1.00 0.00 C ATOM 1144 NZ LYS A 78 2.298 -27.867 5.373 1.00 0.00 N ATOM 0 H LYS A 78 3.293 -22.033 1.214 1.00 0.00 H new ATOM 0 HA LYS A 78 0.840 -23.362 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.991 -24.181 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.864 -23.041 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.062 -24.165 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.503 -24.840 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.169 -26.543 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.185 -25.689 4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.390 -26.024 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.487 -26.986 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.838 -28.373 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.374 -28.498 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.249 -27.565 5.667 1.00 0.00 H new ATOM 1158 N HIS A 79 1.014 -20.791 3.322 1.00 0.00 N ATOM 1159 CA HIS A 79 0.207 -19.873 4.107 1.00 0.00 C ATOM 1160 C HIS A 79 -0.918 -19.308 3.240 1.00 0.00 C ATOM 1161 O HIS A 79 -2.059 -19.202 3.689 1.00 0.00 O ATOM 1162 CB HIS A 79 1.081 -18.783 4.731 1.00 0.00 C ATOM 1163 CG HIS A 79 1.934 -19.262 5.882 1.00 0.00 C ATOM 1164 ND1 HIS A 79 3.040 -20.063 5.896 1.00 0.00 N flip ATOM 1165 CD2 HIS A 79 1.682 -18.918 7.197 1.00 0.00 C flip ATOM 1166 CE1 HIS A 79 3.441 -20.198 7.155 1.00 0.00 C flip ATOM 1167 NE2 HIS A 79 2.599 -19.490 7.963 1.00 0.00 N flip ATOM 0 H HIS A 79 2.008 -20.566 3.291 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.256 -20.407 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.730 -18.367 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.440 -17.973 5.080 1.00 0.00 H new ATOM 0 HD1 HIS A 79 3.482 -20.485 5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.874 -18.289 7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.293 -20.773 7.485 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.561 -18.960 2.014 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.526 -18.407 1.080 1.00 0.00 C ATOM 1177 C TRP A 80 -2.644 -19.435 0.892 1.00 0.00 C ATOM 1178 O TRP A 80 -3.797 -19.072 0.665 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.853 -18.011 -0.234 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.817 -17.454 -1.285 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.782 -18.105 -1.947 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.871 -16.096 -1.768 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -3.451 -17.271 -2.819 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.879 -16.009 -2.706 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -1.095 -14.974 -1.423 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -3.204 -14.822 -3.378 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.430 -13.797 -2.103 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.442 -13.695 -3.051 1.00 0.00 C ATOM 0 H TRP A 80 0.385 -19.050 1.645 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.960 -17.488 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.087 -17.264 -0.027 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.345 -18.883 -0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.008 -19.153 -1.815 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -4.223 -17.532 -3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.303 -15.017 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.999 -14.780 -4.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.863 -12.906 -1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.639 -12.749 -3.533 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.263 -20.700 0.997 1.00 0.00 N ATOM 1200 CA LEU A 81 -3.218 -21.784 0.841 1.00 0.00 C ATOM 1201 C LEU A 81 -4.277 -21.688 1.942 1.00 0.00 C ATOM 1202 O LEU A 81 -5.458 -21.916 1.695 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.498 -23.133 0.798 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.790 -24.013 -0.419 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -1.532 -24.749 -0.881 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -3.946 -24.974 -0.134 1.00 0.00 C ATOM 0 H LEU A 81 -1.306 -20.998 1.188 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.739 -21.697 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.424 -22.950 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.761 -23.691 1.696 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.102 -23.367 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.769 -25.367 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.765 -24.024 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.164 -25.382 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.134 -25.588 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.686 -25.616 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.842 -24.403 0.108 1.00 0.00 H new ATOM 1218 N SER A 82 -3.812 -21.351 3.138 1.00 0.00 N ATOM 1219 CA SER A 82 -4.703 -21.220 4.278 1.00 0.00 C ATOM 1220 C SER A 82 -5.557 -19.959 4.133 1.00 0.00 C ATOM 1221 O SER A 82 -6.398 -19.674 4.986 1.00 0.00 O ATOM 1222 CB SER A 82 -3.916 -21.183 5.589 1.00 0.00 C ATOM 1223 OG SER A 82 -3.649 -22.491 6.088 1.00 0.00 O ATOM 0 H SER A 82 -2.830 -21.165 3.341 1.00 0.00 H new ATOM 0 HA SER A 82 -5.357 -22.091 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.975 -20.656 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.478 -20.619 6.333 1.00 0.00 H new ATOM 0 HG SER A 82 -3.143 -22.425 6.925 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.311 -19.236 3.051 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.046 -18.012 2.784 1.00 0.00 C ATOM 1231 C ASP A 83 -5.690 -16.968 3.844 1.00 0.00 C ATOM 1232 O ASP A 83 -5.454 -17.308 5.003 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.556 -18.253 2.848 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.369 -17.104 3.448 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -8.071 -16.617 4.549 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -9.360 -16.701 2.727 1.00 0.00 O ATOM 0 H ASP A 83 -4.612 -19.475 2.348 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.777 -17.667 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.921 -18.448 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.741 -19.153 3.434 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.659 -15.717 3.407 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.333 -14.621 4.304 1.00 0.00 C ATOM 1244 C ARG A 84 -5.546 -13.279 3.599 1.00 0.00 C ATOM 1245 O ARG A 84 -6.043 -13.236 2.476 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.884 -14.713 4.785 1.00 0.00 C ATOM 1247 CG ARG A 84 -2.970 -15.233 3.674 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.050 -16.341 4.194 1.00 0.00 C ATOM 1249 NE ARG A 84 -2.829 -17.311 4.995 1.00 0.00 N ATOM 1250 CZ ARG A 84 -2.407 -17.842 6.161 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -1.205 -17.501 6.673 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -3.185 -18.701 6.794 1.00 0.00 N ATOM 0 H ARG A 84 -5.854 -15.439 2.445 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.994 -14.692 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.542 -13.731 5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.825 -15.375 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.574 -15.613 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.370 -14.413 3.278 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.571 -16.849 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.255 -15.909 4.802 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.743 -17.596 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.609 -16.838 6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.893 -17.907 7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.091 -18.954 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.880 -19.111 7.677 1.00 0.00 H new ATOM 1266 N THR A 85 -5.155 -12.217 4.290 1.00 0.00 N ATOM 1267 CA THR A 85 -5.295 -10.877 3.744 1.00 0.00 C ATOM 1268 C THR A 85 -3.961 -10.133 3.806 1.00 0.00 C ATOM 1269 O THR A 85 -3.607 -9.572 4.841 1.00 0.00 O ATOM 1270 CB THR A 85 -6.420 -10.172 4.505 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.613 -10.704 3.935 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.492 -8.677 4.191 1.00 0.00 C ATOM 0 H THR A 85 -4.742 -12.257 5.222 1.00 0.00 H new ATOM 0 HA THR A 85 -5.565 -10.907 2.688 1.00 0.00 H new ATOM 0 HB THR A 85 -6.275 -10.312 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.392 -10.302 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.307 -8.225 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.551 -8.201 4.467 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.670 -8.537 3.125 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.256 -10.152 2.684 1.00 0.00 N ATOM 1281 CA TYR A 86 -1.967 -9.486 2.597 1.00 0.00 C ATOM 1282 C TYR A 86 -2.059 -8.225 1.737 1.00 0.00 C ATOM 1283 O TYR A 86 -2.085 -8.308 0.509 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.022 -10.483 1.922 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.734 -11.664 1.259 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.606 -11.446 0.210 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.506 -12.949 1.709 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.274 -12.558 -0.413 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -2.174 -14.060 1.085 1.00 0.00 C ATOM 1290 CZ TYR A 86 -3.026 -13.811 0.055 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.658 -14.860 -0.535 1.00 0.00 O ATOM 0 H TYR A 86 -3.553 -10.618 1.827 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.621 -9.187 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.433 -9.958 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.322 -10.865 2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.786 -10.441 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.826 -13.120 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.957 -12.401 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.002 -15.070 1.427 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.201 -15.089 -1.371 1.00 0.00 H new ATOM 1301 N THR A 87 -2.105 -7.088 2.414 1.00 0.00 N ATOM 1302 CA THR A 87 -2.192 -5.811 1.727 1.00 0.00 C ATOM 1303 C THR A 87 -1.094 -4.865 2.217 1.00 0.00 C ATOM 1304 O THR A 87 -0.736 -4.881 3.393 1.00 0.00 O ATOM 1305 CB THR A 87 -3.605 -5.259 1.932 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.437 -6.415 1.895 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.084 -4.419 0.746 1.00 0.00 C ATOM 0 H THR A 87 -2.084 -7.024 3.432 1.00 0.00 H new ATOM 0 HA THR A 87 -2.024 -5.926 0.656 1.00 0.00 H new ATOM 0 HB THR A 87 -3.630 -4.655 2.839 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.372 -6.149 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.091 -4.052 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.411 -3.573 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.091 -5.032 -0.155 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.591 -4.062 1.289 1.00 0.00 N ATOM 1316 CA CYS A 88 0.459 -3.112 1.613 1.00 0.00 C ATOM 1317 C CYS A 88 -0.194 -1.761 1.916 1.00 0.00 C ATOM 1318 O CYS A 88 -0.588 -1.039 1.001 1.00 0.00 O ATOM 1319 CB CYS A 88 1.493 -3.007 0.489 1.00 0.00 C ATOM 1320 SG CYS A 88 0.858 -2.300 -1.074 1.00 0.00 S ATOM 0 H CYS A 88 -0.891 -4.051 0.314 1.00 0.00 H new ATOM 0 HA CYS A 88 1.007 -3.455 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.326 -2.395 0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.891 -4.001 0.286 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.286 -1.461 3.202 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.884 -0.209 3.639 1.00 0.00 C ATOM 1327 C GLN A 89 0.198 0.849 3.852 1.00 0.00 C ATOM 1328 O GLN A 89 0.972 0.768 4.804 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.714 -0.410 4.908 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.535 0.840 5.230 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.335 1.270 6.685 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -1.589 2.188 6.990 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.037 0.558 7.561 1.00 0.00 N ATOM 0 H GLN A 89 0.043 -2.063 3.957 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.558 0.141 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.380 -1.264 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.055 -0.642 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.243 1.652 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.591 0.642 5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.642 -0.197 7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.971 0.766 8.557 1.00 0.00 H new ATOM 1342 N VAL A 90 0.219 1.819 2.950 1.00 0.00 N ATOM 1343 CA VAL A 90 1.195 2.894 3.028 1.00 0.00 C ATOM 1344 C VAL A 90 0.547 4.118 3.675 1.00 0.00 C ATOM 1345 O VAL A 90 -0.590 4.464 3.361 1.00 0.00 O ATOM 1346 CB VAL A 90 1.765 3.185 1.639 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.288 4.620 1.550 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.862 2.181 1.275 1.00 0.00 C ATOM 0 H VAL A 90 -0.424 1.884 2.161 1.00 0.00 H new ATOM 0 HA VAL A 90 2.037 2.601 3.656 1.00 0.00 H new ATOM 0 HB VAL A 90 0.956 3.077 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.688 4.800 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.473 5.317 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.076 4.766 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.250 2.410 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.670 2.244 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.448 1.173 1.278 1.00 0.00 H new ATOM 1358 N THR A 91 1.300 4.742 4.571 1.00 0.00 N ATOM 1359 CA THR A 91 0.814 5.923 5.267 1.00 0.00 C ATOM 1360 C THR A 91 1.568 7.167 4.798 1.00 0.00 C ATOM 1361 O THR A 91 2.572 7.062 4.094 1.00 0.00 O ATOM 1362 CB THR A 91 0.934 5.668 6.769 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.375 5.264 7.161 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.178 6.953 7.564 1.00 0.00 C ATOM 0 H THR A 91 2.243 4.452 4.831 1.00 0.00 H new ATOM 0 HA THR A 91 -0.235 6.114 5.038 1.00 0.00 H new ATOM 0 HB THR A 91 1.748 4.966 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.486 4.305 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.255 6.715 8.625 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.105 7.418 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.348 7.642 7.406 1.00 0.00 H new ATOM 1372 N TYR A 92 1.059 8.320 5.209 1.00 0.00 N ATOM 1373 CA TYR A 92 1.672 9.583 4.839 1.00 0.00 C ATOM 1374 C TYR A 92 1.558 10.601 5.977 1.00 0.00 C ATOM 1375 O TYR A 92 0.681 10.485 6.832 1.00 0.00 O ATOM 1376 CB TYR A 92 0.888 10.097 3.631 1.00 0.00 C ATOM 1377 CG TYR A 92 0.991 9.199 2.395 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.404 7.950 2.399 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.671 9.641 1.277 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.503 7.106 1.236 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.769 8.796 0.115 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.180 7.570 0.152 1.00 0.00 C ATOM 1383 OH TYR A 92 1.272 6.773 -0.946 1.00 0.00 O ATOM 0 H TYR A 92 0.228 8.405 5.795 1.00 0.00 H new ATOM 0 HA TYR A 92 2.731 9.445 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.161 10.198 3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.247 11.094 3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.129 7.606 3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.129 10.619 1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.049 6.126 1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.298 9.128 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 92 0.805 5.928 -0.777 1.00 0.00 H new ATOM 1393 N GLN A 93 2.456 11.575 5.949 1.00 0.00 N ATOM 1394 CA GLN A 93 2.465 12.613 6.965 1.00 0.00 C ATOM 1395 C GLN A 93 1.052 13.152 7.189 1.00 0.00 C ATOM 1396 O GLN A 93 0.737 13.651 8.268 1.00 0.00 O ATOM 1397 CB GLN A 93 3.429 13.740 6.590 1.00 0.00 C ATOM 1398 CG GLN A 93 4.657 13.191 5.859 1.00 0.00 C ATOM 1399 CD GLN A 93 5.907 14.006 6.200 1.00 0.00 C ATOM 1400 OE1 GLN A 93 5.887 15.225 6.260 1.00 0.00 O ATOM 1401 NE2 GLN A 93 6.990 13.266 6.419 1.00 0.00 N ATOM 0 H GLN A 93 3.182 11.667 5.239 1.00 0.00 H new ATOM 0 HA GLN A 93 2.816 12.175 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.918 14.465 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.743 14.269 7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.812 12.148 6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.485 13.215 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.935 12.250 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.875 13.715 6.654 1.00 0.00 H new ATOM 1410 N GLY A 94 0.237 13.033 6.151 1.00 0.00 N ATOM 1411 CA GLY A 94 -1.136 13.502 6.219 1.00 0.00 C ATOM 1412 C GLY A 94 -2.013 12.787 5.189 1.00 0.00 C ATOM 1413 O GLY A 94 -2.923 13.386 4.619 1.00 0.00 O ATOM 0 H GLY A 94 0.502 12.618 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.533 13.332 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.166 14.577 6.043 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.708 11.514 4.984 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.456 10.709 4.032 1.00 0.00 C ATOM 1419 C HIS A 95 -2.287 9.227 4.370 1.00 0.00 C ATOM 1420 O HIS A 95 -1.512 8.871 5.255 1.00 0.00 O ATOM 1421 CB HIS A 95 -2.044 11.041 2.597 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.169 10.939 1.596 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -4.259 11.792 1.601 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -3.364 10.073 0.557 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -5.066 11.447 0.608 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.509 10.381 -0.039 1.00 0.00 N ATOM 0 H HIS A 95 -0.953 11.020 5.460 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.518 10.944 4.106 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.639 12.053 2.571 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.241 10.368 2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.698 9.273 0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.001 11.925 0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.907 9.901 -0.846 1.00 0.00 H new ATOM 1434 N THR A 96 -3.027 8.400 3.644 1.00 0.00 N ATOM 1435 CA THR A 96 -2.970 6.963 3.856 1.00 0.00 C ATOM 1436 C THR A 96 -3.505 6.223 2.629 1.00 0.00 C ATOM 1437 O THR A 96 -4.150 6.820 1.771 1.00 0.00 O ATOM 1438 CB THR A 96 -3.735 6.643 5.141 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.309 5.328 5.481 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.240 6.497 4.904 1.00 0.00 C ATOM 0 H THR A 96 -3.669 8.698 2.909 1.00 0.00 H new ATOM 0 HA THR A 96 -1.942 6.622 3.981 1.00 0.00 H new ATOM 0 HB THR A 96 -3.557 7.429 5.875 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.756 5.042 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.737 6.270 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.637 7.428 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.420 5.688 4.196 1.00 0.00 H new ATOM 1448 N PHE A 97 -3.215 4.929 2.585 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.658 4.101 1.479 1.00 0.00 C ATOM 1450 C PHE A 97 -3.278 2.636 1.704 1.00 0.00 C ATOM 1451 O PHE A 97 -2.402 2.336 2.511 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.949 4.611 0.223 1.00 0.00 C ATOM 1453 CG PHE A 97 -2.966 3.627 -0.946 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -2.020 2.654 -1.030 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -3.927 3.724 -1.904 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -2.036 1.738 -2.117 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -3.945 2.811 -2.990 1.00 0.00 C ATOM 1458 CZ PHE A 97 -2.998 1.836 -3.073 1.00 0.00 C ATOM 0 H PHE A 97 -2.678 4.436 3.299 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.742 4.158 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.418 5.542 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.914 4.844 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.256 2.577 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.678 4.498 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.285 0.965 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.709 2.889 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.011 1.140 -3.899 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.958 1.763 0.975 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.702 0.336 1.084 1.00 0.00 C ATOM 1470 C GLU A 98 -4.157 -0.385 -0.185 1.00 0.00 C ATOM 1471 O GLU A 98 -5.246 -0.122 -0.696 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.387 -0.250 2.322 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.819 -1.629 2.660 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.549 -2.244 3.857 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -4.512 -1.681 4.960 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.171 -3.346 3.608 1.00 0.00 O ATOM 0 H GLU A 98 -4.686 2.016 0.307 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.628 0.188 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.251 0.421 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.460 -0.328 2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.912 -2.287 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.755 -1.544 2.883 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.301 -1.276 -0.661 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.602 -2.037 -1.863 1.00 0.00 C ATOM 1486 C ASP A 99 -2.784 -3.331 -1.859 1.00 0.00 C ATOM 1487 O ASP A 99 -1.570 -3.303 -1.660 1.00 0.00 O ATOM 1488 CB ASP A 99 -3.231 -1.248 -3.120 1.00 0.00 C ATOM 1489 CG ASP A 99 -4.413 -0.612 -3.855 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -4.499 -0.666 -5.091 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -5.282 -0.036 -3.094 1.00 0.00 O ATOM 0 H ASP A 99 -2.398 -1.489 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.671 -2.248 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.529 -0.462 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.710 -1.913 -3.808 1.00 0.00 H new ATOM 1497 N SER A 100 -3.482 -4.433 -2.084 1.00 0.00 N ATOM 1498 CA SER A 100 -2.836 -5.736 -2.109 1.00 0.00 C ATOM 1499 C SER A 100 -3.845 -6.811 -2.523 1.00 0.00 C ATOM 1500 O SER A 100 -4.735 -6.554 -3.333 1.00 0.00 O ATOM 1501 CB SER A 100 -2.229 -6.076 -0.748 1.00 0.00 C ATOM 1502 OG SER A 100 -1.045 -6.860 -0.872 1.00 0.00 O ATOM 0 H SER A 100 -4.488 -4.452 -2.251 1.00 0.00 H new ATOM 0 HA SER A 100 -2.027 -5.703 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.999 -5.154 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.961 -6.618 -0.150 1.00 0.00 H new ATOM 0 HG SER A 100 -1.075 -7.601 -0.232 1.00 0.00 H new ATOM 1508 N THR A 101 -3.669 -7.992 -1.951 1.00 0.00 N ATOM 1509 CA THR A 101 -4.551 -9.107 -2.251 1.00 0.00 C ATOM 1510 C THR A 101 -4.946 -9.836 -0.967 1.00 0.00 C ATOM 1511 O THR A 101 -4.588 -9.408 0.131 1.00 0.00 O ATOM 1512 CB THR A 101 -3.846 -10.007 -3.268 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.664 -11.173 -3.325 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.499 -10.521 -2.760 1.00 0.00 C ATOM 0 H THR A 101 -2.929 -8.202 -1.281 1.00 0.00 H new ATOM 0 HA THR A 101 -5.486 -8.763 -2.692 1.00 0.00 H new ATOM 0 HB THR A 101 -3.697 -9.457 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.375 -11.739 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.041 -11.154 -3.520 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.843 -9.676 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.651 -11.099 -1.849 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.678 -10.927 -1.141 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.125 -11.718 -0.009 1.00 0.00 C ATOM 1524 C LYS A 102 -6.644 -13.069 -0.510 1.00 0.00 C ATOM 1525 O LYS A 102 -6.300 -13.500 -1.611 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.146 -10.939 0.821 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.488 -10.842 0.091 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.644 -11.229 1.016 1.00 0.00 C ATOM 1529 CE LYS A 102 -10.706 -12.029 0.260 1.00 0.00 C ATOM 1530 NZ LYS A 102 -12.007 -11.324 0.292 1.00 0.00 N ATOM 0 H LYS A 102 -5.973 -11.281 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.292 -11.923 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.287 -11.429 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.766 -9.938 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.635 -9.826 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.480 -11.496 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.265 -11.819 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.093 -10.330 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.391 -12.177 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.811 -13.018 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.716 -11.881 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.313 -11.205 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.907 -10.390 -0.154 1.00 0.00 H new ATOM 1544 N LYS A 103 -7.458 -13.700 0.323 1.00 0.00 N ATOM 1545 CA LYS A 103 -8.027 -14.992 -0.021 1.00 0.00 C ATOM 1546 C LYS A 103 -6.896 -16.001 -0.233 1.00 0.00 C ATOM 1547 O LYS A 103 -5.735 -15.705 0.045 1.00 0.00 O ATOM 1548 CB LYS A 103 -8.969 -14.861 -1.221 1.00 0.00 C ATOM 1549 CG LYS A 103 -8.533 -15.782 -2.361 1.00 0.00 C ATOM 1550 CD LYS A 103 -8.642 -15.074 -3.713 1.00 0.00 C ATOM 1551 CE LYS A 103 -10.085 -15.081 -4.223 1.00 0.00 C ATOM 1552 NZ LYS A 103 -10.113 -15.066 -5.702 1.00 0.00 N ATOM 0 H LYS A 103 -7.737 -13.341 1.236 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.642 -15.368 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.987 -15.108 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.981 -13.828 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.505 -16.106 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.153 -16.679 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.291 -14.046 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.994 -15.566 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.603 -15.966 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.618 -14.213 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.100 -15.071 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.637 -14.209 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.622 -15.907 -6.067 1.00 0.00 H new ATOM 1566 N SER A 104 -7.274 -17.171 -0.726 1.00 0.00 N ATOM 1567 CA SER A 104 -6.307 -18.225 -0.978 1.00 0.00 C ATOM 1568 C SER A 104 -6.321 -18.602 -2.460 1.00 0.00 C ATOM 1569 O SER A 104 -6.472 -19.772 -2.807 1.00 0.00 O ATOM 1570 CB SER A 104 -6.595 -19.455 -0.115 1.00 0.00 C ATOM 1571 OG SER A 104 -5.723 -20.539 -0.423 1.00 0.00 O ATOM 0 H SER A 104 -8.238 -17.412 -0.958 1.00 0.00 H new ATOM 0 HA SER A 104 -5.318 -17.853 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.489 -19.192 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.629 -19.768 -0.263 1.00 0.00 H new ATOM 0 HG SER A 104 -5.863 -21.265 0.221 1.00 0.00 H new ATOM 1577 N ALA A 105 -6.156 -17.587 -3.298 1.00 0.00 N ATOM 1578 CA ALA A 105 -6.145 -17.797 -4.735 1.00 0.00 C ATOM 1579 C ALA A 105 -5.121 -18.879 -5.082 1.00 0.00 C ATOM 1580 O ALA A 105 -4.368 -18.742 -6.044 1.00 0.00 O ATOM 1581 CB ALA A 105 -5.856 -16.472 -5.443 1.00 0.00 C ATOM 0 H ALA A 105 -6.029 -16.617 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.119 -18.144 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.848 -16.630 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.629 -15.747 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.885 -16.093 -5.124 1.00 0.00 H new TER 1588 ALA A 105