USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.685 (180deg=-0.957) USER MOD Single : A 5 SER OG : rot 180:sc= -0.069 USER MOD Single : A 7 SER OG : rot 180:sc=-0.000147 USER MOD Single : A 11 MET CE :methyl 155:sc=-0.00681 (180deg=-1.09) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.19 F(o=-1.4,f=-0.19) USER MOD Single : A 28 TYR OH : rot 165:sc= 0.00411 USER MOD Single : A 30 SER OG : rot 180:sc= -0.253 USER MOD Single : A 32 ASN : amide:sc= 0.217 K(o=0.22,f=-1.9!) USER MOD Single : A 35 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.179 (180deg=-1.13) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 67:sc= 0.38 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -169:sc= 0 (180deg=-0.347) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00931 USER MOD Single : A 65 GLN : amide:sc= -1.99 K(o=-2,f=-16!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.142 X(o=-0.14,f=-0.062) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.643 7.218 -0.884 1.00 0.00 N ATOM 2 CA MET A 1 -13.860 6.492 -0.538 1.00 0.00 C ATOM 3 C MET A 1 -14.524 5.920 -1.787 1.00 0.00 C ATOM 4 O MET A 1 -15.750 5.921 -1.905 1.00 0.00 O ATOM 5 CB MET A 1 -14.837 7.412 0.198 1.00 0.00 C ATOM 6 CG MET A 1 -14.208 8.157 1.363 1.00 0.00 C ATOM 7 SD MET A 1 -15.313 9.391 2.076 1.00 0.00 S ATOM 8 CE MET A 1 -14.918 10.820 1.071 1.00 0.00 C ATOM 0 H1 MET A 1 -12.137 7.482 -0.015 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.033 6.613 -1.470 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.891 8.078 -1.415 1.00 0.00 H new ATOM 0 HA MET A 1 -13.587 5.666 0.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.244 8.136 -0.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.675 6.819 0.566 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.922 7.442 2.134 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.294 8.645 1.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.522 11.669 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.862 11.064 1.184 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.129 10.599 0.025 1.00 0.00 H new ATOM 16 N ALA A 2 -13.709 5.434 -2.715 1.00 0.00 N ATOM 17 CA ALA A 2 -14.218 4.856 -3.954 1.00 0.00 C ATOM 18 C ALA A 2 -13.198 3.912 -4.580 1.00 0.00 C ATOM 19 O ALA A 2 -12.192 3.569 -3.959 1.00 0.00 O ATOM 20 CB ALA A 2 -14.593 5.958 -4.934 1.00 0.00 C ATOM 0 H ALA A 2 -12.692 5.428 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.110 4.277 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.971 5.513 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.364 6.590 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.713 6.561 -5.158 1.00 0.00 H new ATOM 26 N ARG A 3 -13.463 3.496 -5.815 1.00 0.00 N ATOM 27 CA ARG A 3 -12.569 2.590 -6.524 1.00 0.00 C ATOM 28 C ARG A 3 -12.421 1.271 -5.771 1.00 0.00 C ATOM 29 O ARG A 3 -11.628 1.162 -4.837 1.00 0.00 O ATOM 30 CB ARG A 3 -11.196 3.238 -6.713 1.00 0.00 C ATOM 31 CG ARG A 3 -10.325 2.533 -7.740 1.00 0.00 C ATOM 32 CD ARG A 3 -10.904 2.659 -9.140 1.00 0.00 C ATOM 33 NE ARG A 3 -11.230 4.043 -9.477 1.00 0.00 N ATOM 34 CZ ARG A 3 -10.327 4.936 -9.867 1.00 0.00 C ATOM 35 NH1 ARG A 3 -9.051 4.592 -9.970 1.00 0.00 N ATOM 36 NH2 ARG A 3 -10.700 6.176 -10.155 1.00 0.00 N ATOM 0 H ARG A 3 -14.290 3.773 -6.344 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.004 2.383 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.332 4.276 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.675 3.251 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.321 2.957 -7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.231 1.479 -7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.189 2.269 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.802 2.046 -9.217 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.204 4.340 -9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.760 3.640 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.360 5.280 -10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.681 6.445 -10.077 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.006 6.861 -10.454 1.00 0.00 H new ATOM 47 N GLY A 4 -13.192 0.270 -6.184 1.00 0.00 N ATOM 48 CA GLY A 4 -13.134 -1.028 -5.538 1.00 0.00 C ATOM 49 C GLY A 4 -12.180 -1.980 -6.234 1.00 0.00 C ATOM 50 O GLY A 4 -12.377 -2.324 -7.399 1.00 0.00 O ATOM 0 H GLY A 4 -13.856 0.335 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.823 -0.901 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.132 -1.467 -5.520 1.00 0.00 H new ATOM 54 N SER A 5 -11.142 -2.403 -5.520 1.00 0.00 N ATOM 55 CA SER A 5 -10.151 -3.316 -6.077 1.00 0.00 C ATOM 56 C SER A 5 -9.768 -4.387 -5.062 1.00 0.00 C ATOM 57 O SER A 5 -10.208 -4.357 -3.913 1.00 0.00 O ATOM 58 CB SER A 5 -8.905 -2.542 -6.515 1.00 0.00 C ATOM 59 OG SER A 5 -8.853 -1.268 -5.899 1.00 0.00 O ATOM 0 H SER A 5 -10.965 -2.128 -4.554 1.00 0.00 H new ATOM 0 HA SER A 5 -10.591 -3.806 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.011 -3.110 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.908 -2.425 -7.599 1.00 0.00 H new ATOM 0 HG SER A 5 -8.047 -0.795 -6.194 1.00 0.00 H new ATOM 64 N VAL A 6 -8.944 -5.337 -5.496 1.00 0.00 N ATOM 65 CA VAL A 6 -8.500 -6.419 -4.625 1.00 0.00 C ATOM 66 C VAL A 6 -9.661 -7.329 -4.243 1.00 0.00 C ATOM 67 O VAL A 6 -10.786 -6.868 -4.048 1.00 0.00 O ATOM 68 CB VAL A 6 -7.844 -5.875 -3.342 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.694 -6.207 -2.126 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.436 -6.430 -3.188 1.00 0.00 C ATOM 0 H VAL A 6 -8.571 -5.379 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.762 -6.993 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.775 -4.790 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.215 -5.815 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.680 -5.756 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.797 -7.289 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.987 -6.035 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.478 -7.518 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.833 -6.135 -4.047 1.00 0.00 H new ATOM 80 N SER A 7 -9.382 -8.624 -4.136 1.00 0.00 N ATOM 81 CA SER A 7 -10.405 -9.600 -3.779 1.00 0.00 C ATOM 82 C SER A 7 -10.980 -9.303 -2.398 1.00 0.00 C ATOM 83 O SER A 7 -10.304 -8.735 -1.541 1.00 0.00 O ATOM 84 CB SER A 7 -9.822 -11.015 -3.809 1.00 0.00 C ATOM 85 OG SER A 7 -10.318 -11.793 -2.734 1.00 0.00 O ATOM 0 H SER A 7 -8.456 -9.022 -4.291 1.00 0.00 H new ATOM 0 HA SER A 7 -11.210 -9.531 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.072 -11.495 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.735 -10.965 -3.755 1.00 0.00 H new ATOM 0 HG SER A 7 -9.932 -12.693 -2.776 1.00 0.00 H new ATOM 90 N ASP A 8 -12.233 -9.693 -2.189 1.00 0.00 N ATOM 91 CA ASP A 8 -12.901 -9.472 -0.912 1.00 0.00 C ATOM 92 C ASP A 8 -12.021 -9.928 0.247 1.00 0.00 C ATOM 93 O ASP A 8 -11.803 -9.184 1.203 1.00 0.00 O ATOM 94 CB ASP A 8 -14.238 -10.213 -0.877 1.00 0.00 C ATOM 95 CG ASP A 8 -15.409 -9.309 -1.210 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.360 -8.636 -2.261 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.376 -9.276 -0.420 1.00 0.00 O ATOM 0 H ASP A 8 -12.807 -10.164 -2.888 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.085 -8.403 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.210 -11.042 -1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.385 -10.644 0.113 1.00 0.00 H new ATOM 101 N GLU A 9 -11.520 -11.156 0.156 1.00 0.00 N ATOM 102 CA GLU A 9 -10.666 -11.712 1.199 1.00 0.00 C ATOM 103 C GLU A 9 -9.562 -10.729 1.579 1.00 0.00 C ATOM 104 O GLU A 9 -9.465 -10.304 2.729 1.00 0.00 O ATOM 105 CB GLU A 9 -10.051 -13.034 0.735 1.00 0.00 C ATOM 106 CG GLU A 9 -10.872 -14.254 1.115 1.00 0.00 C ATOM 107 CD GLU A 9 -10.169 -15.557 0.784 1.00 0.00 C ATOM 108 OE1 GLU A 9 -9.218 -15.528 -0.026 1.00 0.00 O ATOM 109 OE2 GLU A 9 -10.569 -16.604 1.334 1.00 0.00 O ATOM 0 H GLU A 9 -11.691 -11.784 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.283 -11.896 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.933 -13.009 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.053 -13.131 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.088 -14.223 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.829 -14.220 0.595 1.00 0.00 H new ATOM 114 N GLU A 10 -8.732 -10.375 0.602 1.00 0.00 N ATOM 115 CA GLU A 10 -7.634 -9.444 0.835 1.00 0.00 C ATOM 116 C GLU A 10 -8.156 -8.104 1.344 1.00 0.00 C ATOM 117 O GLU A 10 -7.742 -7.626 2.399 1.00 0.00 O ATOM 118 CB GLU A 10 -6.831 -9.236 -0.451 1.00 0.00 C ATOM 119 CG GLU A 10 -5.556 -10.060 -0.513 1.00 0.00 C ATOM 120 CD GLU A 10 -5.741 -11.463 0.032 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.960 -11.861 0.922 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.665 -12.163 -0.431 1.00 0.00 O ATOM 0 H GLU A 10 -8.799 -10.718 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.983 -9.873 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.458 -9.488 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.576 -8.180 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.215 -10.118 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.773 -9.555 0.053 1.00 0.00 H new ATOM 127 N MET A 11 -9.067 -7.503 0.586 1.00 0.00 N ATOM 128 CA MET A 11 -9.645 -6.218 0.959 1.00 0.00 C ATOM 129 C MET A 11 -9.873 -6.142 2.465 1.00 0.00 C ATOM 130 O MET A 11 -9.559 -5.136 3.101 1.00 0.00 O ATOM 131 CB MET A 11 -10.965 -5.995 0.220 1.00 0.00 C ATOM 132 CG MET A 11 -11.365 -4.532 0.117 1.00 0.00 C ATOM 133 SD MET A 11 -10.170 -3.550 -0.812 1.00 0.00 S ATOM 134 CE MET A 11 -10.665 -1.891 -0.354 1.00 0.00 C ATOM 0 H MET A 11 -9.421 -7.886 -0.291 1.00 0.00 H new ATOM 0 HA MET A 11 -8.942 -5.435 0.676 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.885 -6.413 -0.784 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.755 -6.544 0.732 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.341 -4.459 -0.363 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.470 -4.117 1.119 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.815 -1.216 -0.457 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.473 -1.559 -1.006 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.008 -1.886 0.681 1.00 0.00 H new ATOM 142 N MET A 12 -10.422 -7.213 3.031 1.00 0.00 N ATOM 143 CA MET A 12 -10.691 -7.267 4.464 1.00 0.00 C ATOM 144 C MET A 12 -9.390 -7.322 5.259 1.00 0.00 C ATOM 145 O MET A 12 -9.216 -6.587 6.230 1.00 0.00 O ATOM 146 CB MET A 12 -11.557 -8.484 4.796 1.00 0.00 C ATOM 147 CG MET A 12 -12.401 -8.306 6.048 1.00 0.00 C ATOM 148 SD MET A 12 -13.417 -9.750 6.412 1.00 0.00 S ATOM 149 CE MET A 12 -14.181 -9.247 7.952 1.00 0.00 C ATOM 0 H MET A 12 -10.689 -8.054 2.520 1.00 0.00 H new ATOM 0 HA MET A 12 -11.229 -6.361 4.743 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.214 -8.693 3.952 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.913 -9.354 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.747 -8.103 6.896 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.045 -7.435 5.927 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.842 -10.039 8.306 1.00 0.00 H new ATOM 0 HE2 MET A 12 -13.408 -9.059 8.697 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.759 -8.337 7.791 1.00 0.00 H new ATOM 157 N GLU A 13 -8.481 -8.197 4.841 1.00 0.00 N ATOM 158 CA GLU A 13 -7.198 -8.346 5.516 1.00 0.00 C ATOM 159 C GLU A 13 -6.344 -7.093 5.345 1.00 0.00 C ATOM 160 O GLU A 13 -5.982 -6.436 6.323 1.00 0.00 O ATOM 161 CB GLU A 13 -6.450 -9.564 4.972 1.00 0.00 C ATOM 162 CG GLU A 13 -6.830 -10.867 5.656 1.00 0.00 C ATOM 163 CD GLU A 13 -5.897 -12.009 5.297 1.00 0.00 C ATOM 164 OE1 GLU A 13 -5.885 -13.018 6.032 1.00 0.00 O ATOM 165 OE2 GLU A 13 -5.179 -11.892 4.281 1.00 0.00 O ATOM 0 H GLU A 13 -8.610 -8.813 4.038 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.390 -8.491 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.647 -9.653 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.378 -9.403 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.821 -10.722 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.849 -11.135 5.378 1.00 0.00 H new ATOM 170 N LEU A 14 -6.025 -6.767 4.098 1.00 0.00 N ATOM 171 CA LEU A 14 -5.213 -5.593 3.797 1.00 0.00 C ATOM 172 C LEU A 14 -5.712 -4.375 4.567 1.00 0.00 C ATOM 173 O LEU A 14 -4.928 -3.658 5.190 1.00 0.00 O ATOM 174 CB LEU A 14 -5.234 -5.305 2.295 1.00 0.00 C ATOM 175 CG LEU A 14 -5.108 -6.521 1.377 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.847 -6.083 -0.056 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.001 -7.445 1.864 1.00 0.00 C ATOM 0 H LEU A 14 -6.316 -7.299 3.278 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.189 -5.801 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.165 -4.790 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.421 -4.616 2.066 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.049 -7.070 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.760 -6.962 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.673 -5.462 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.920 -5.511 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.926 -8.305 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.053 -6.906 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.230 -7.786 2.874 1.00 0.00 H new ATOM 188 N ARG A 15 -7.020 -4.147 4.521 1.00 0.00 N ATOM 189 CA ARG A 15 -7.623 -3.015 5.215 1.00 0.00 C ATOM 190 C ARG A 15 -7.401 -3.120 6.721 1.00 0.00 C ATOM 191 O ARG A 15 -7.078 -2.132 7.380 1.00 0.00 O ATOM 192 CB ARG A 15 -9.121 -2.946 4.914 1.00 0.00 C ATOM 193 CG ARG A 15 -9.877 -1.975 5.807 1.00 0.00 C ATOM 194 CD ARG A 15 -10.749 -1.032 4.992 1.00 0.00 C ATOM 195 NE ARG A 15 -10.513 0.367 5.335 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.115 1.385 4.731 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.986 1.160 3.757 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.847 2.631 5.099 1.00 0.00 N ATOM 0 H ARG A 15 -7.683 -4.731 4.011 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.144 -2.104 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.261 -2.654 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.552 -3.941 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.498 -2.532 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.168 -1.396 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.552 -1.183 3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.799 -1.274 5.159 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.848 0.574 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.195 0.204 3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.447 1.943 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.177 2.809 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.311 3.411 4.633 1.00 0.00 H new ATOM 209 N GLU A 16 -7.577 -4.323 7.258 1.00 0.00 N ATOM 210 CA GLU A 16 -7.396 -4.556 8.687 1.00 0.00 C ATOM 211 C GLU A 16 -6.023 -4.075 9.147 1.00 0.00 C ATOM 212 O GLU A 16 -5.912 -3.289 10.087 1.00 0.00 O ATOM 213 CB GLU A 16 -7.562 -6.042 9.008 1.00 0.00 C ATOM 214 CG GLU A 16 -6.556 -6.561 10.022 1.00 0.00 C ATOM 215 CD GLU A 16 -6.951 -7.907 10.600 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.134 -8.284 10.468 1.00 0.00 O ATOM 217 OE2 GLU A 16 -6.078 -8.582 11.183 1.00 0.00 O ATOM 0 H GLU A 16 -7.845 -5.151 6.726 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.158 -3.989 9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.569 -6.213 9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.467 -6.617 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.578 -6.646 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.455 -5.838 10.831 1.00 0.00 H new ATOM 222 N ALA A 17 -4.980 -4.553 8.475 1.00 0.00 N ATOM 223 CA ALA A 17 -3.614 -4.171 8.814 1.00 0.00 C ATOM 224 C ALA A 17 -3.378 -2.687 8.555 1.00 0.00 C ATOM 225 O ALA A 17 -2.965 -1.949 9.449 1.00 0.00 O ATOM 226 CB ALA A 17 -2.621 -5.011 8.025 1.00 0.00 C ATOM 0 H ALA A 17 -5.055 -5.205 7.694 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.465 -4.355 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.605 -4.716 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.766 -6.065 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.780 -4.855 6.958 1.00 0.00 H new ATOM 232 N PHE A 18 -3.646 -2.256 7.327 1.00 0.00 N ATOM 233 CA PHE A 18 -3.461 -0.859 6.949 1.00 0.00 C ATOM 234 C PHE A 18 -3.941 0.071 8.059 1.00 0.00 C ATOM 235 O PHE A 18 -3.192 0.922 8.538 1.00 0.00 O ATOM 236 CB PHE A 18 -4.212 -0.556 5.651 1.00 0.00 C ATOM 237 CG PHE A 18 -4.143 0.888 5.242 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.991 1.825 5.810 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.230 1.308 4.289 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.930 3.153 5.436 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.163 2.635 3.912 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.015 3.559 4.485 1.00 0.00 C ATOM 0 H PHE A 18 -3.992 -2.854 6.576 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.396 -0.688 6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.802 -1.172 4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.257 -0.842 5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.709 1.513 6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.563 0.590 3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.597 3.873 5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.445 2.950 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.966 4.597 4.190 1.00 0.00 H new ATOM 251 N ALA A 19 -5.196 -0.096 8.461 1.00 0.00 N ATOM 252 CA ALA A 19 -5.778 0.727 9.514 1.00 0.00 C ATOM 253 C ALA A 19 -4.879 0.759 10.745 1.00 0.00 C ATOM 254 O ALA A 19 -4.621 1.822 11.311 1.00 0.00 O ATOM 255 CB ALA A 19 -7.162 0.213 9.883 1.00 0.00 C ATOM 0 H ALA A 19 -5.830 -0.794 8.073 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.870 1.745 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.584 0.837 10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.809 0.248 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.086 -0.815 10.237 1.00 0.00 H new ATOM 261 N LYS A 20 -4.403 -0.411 11.155 1.00 0.00 N ATOM 262 CA LYS A 20 -3.531 -0.519 12.319 1.00 0.00 C ATOM 263 C LYS A 20 -2.310 0.384 12.170 1.00 0.00 C ATOM 264 O LYS A 20 -1.747 0.852 13.159 1.00 0.00 O ATOM 265 CB LYS A 20 -3.086 -1.970 12.516 1.00 0.00 C ATOM 266 CG LYS A 20 -4.225 -2.971 12.450 1.00 0.00 C ATOM 267 CD LYS A 20 -4.220 -3.903 13.650 1.00 0.00 C ATOM 268 CE LYS A 20 -2.865 -4.569 13.831 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.887 -5.583 14.921 1.00 0.00 N ATOM 0 H LYS A 20 -4.607 -1.300 10.698 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.094 -0.197 13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.348 -2.221 11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.590 -2.061 13.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.175 -2.439 12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.144 -3.556 11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.474 -3.342 14.549 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.988 -4.666 13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.567 -5.046 12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.115 -3.811 14.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.945 -6.014 15.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.147 -5.124 15.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.585 -6.320 14.695 1.00 0.00 H new ATOM 279 N VAL A 21 -1.906 0.624 10.926 1.00 0.00 N ATOM 280 CA VAL A 21 -0.754 1.472 10.647 1.00 0.00 C ATOM 281 C VAL A 21 -1.188 2.817 10.072 1.00 0.00 C ATOM 282 O VAL A 21 -0.354 3.635 9.682 1.00 0.00 O ATOM 283 CB VAL A 21 0.216 0.794 9.662 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.555 0.524 10.332 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.388 -0.492 9.120 1.00 0.00 C ATOM 0 H VAL A 21 -2.360 0.243 10.096 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.242 1.634 11.596 1.00 0.00 H new ATOM 0 HB VAL A 21 0.386 1.469 8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.228 0.045 9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.991 1.465 10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.407 -0.132 11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.311 -0.958 8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.590 -1.175 9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.319 -0.266 8.600 1.00 0.00 H new ATOM 295 N ASP A 22 -2.496 3.039 10.024 1.00 0.00 N ATOM 296 CA ASP A 22 -3.041 4.285 9.499 1.00 0.00 C ATOM 297 C ASP A 22 -3.698 5.101 10.608 1.00 0.00 C ATOM 298 O ASP A 22 -4.801 5.625 10.439 1.00 0.00 O ATOM 299 CB ASP A 22 -4.056 3.996 8.392 1.00 0.00 C ATOM 300 CG ASP A 22 -4.511 5.255 7.680 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.641 6.035 7.239 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.736 5.459 7.562 1.00 0.00 O ATOM 0 H ASP A 22 -3.199 2.372 10.342 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.218 4.866 9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.614 3.312 7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.922 3.491 8.820 1.00 0.00 H new ATOM 306 N THR A 23 -3.016 5.204 11.744 1.00 0.00 N ATOM 307 CA THR A 23 -3.534 5.953 12.881 1.00 0.00 C ATOM 308 C THR A 23 -3.235 7.442 12.741 1.00 0.00 C ATOM 309 O THR A 23 -3.490 8.225 13.656 1.00 0.00 O ATOM 310 CB THR A 23 -2.939 5.444 14.207 1.00 0.00 C ATOM 311 OG1 THR A 23 -1.509 5.499 14.156 1.00 0.00 O ATOM 312 CG2 THR A 23 -3.387 4.018 14.489 1.00 0.00 C ATOM 0 H THR A 23 -2.103 4.778 11.901 1.00 0.00 H new ATOM 0 HA THR A 23 -4.613 5.802 12.894 1.00 0.00 H new ATOM 0 HB THR A 23 -3.298 6.087 15.011 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.139 5.175 15.004 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.954 3.680 15.431 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.474 3.985 14.557 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.054 3.366 13.682 1.00 0.00 H new ATOM 320 N ASP A 24 -2.692 7.826 11.592 1.00 0.00 N ATOM 321 CA ASP A 24 -2.359 9.221 11.331 1.00 0.00 C ATOM 322 C ASP A 24 -3.608 10.095 11.373 1.00 0.00 C ATOM 323 O ASP A 24 -3.521 11.316 11.490 1.00 0.00 O ATOM 324 CB ASP A 24 -1.671 9.359 9.972 1.00 0.00 C ATOM 325 CG ASP A 24 -2.346 8.533 8.895 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.962 7.358 8.720 1.00 0.00 O ATOM 327 OD2 ASP A 24 -3.259 9.063 8.227 1.00 0.00 O ATOM 0 H ASP A 24 -2.473 7.190 10.825 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.676 9.557 12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.669 10.407 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.629 9.051 10.062 1.00 0.00 H new ATOM 331 N GLY A 25 -4.772 9.459 11.276 1.00 0.00 N ATOM 332 CA GLY A 25 -6.024 10.194 11.303 1.00 0.00 C ATOM 333 C GLY A 25 -6.275 10.960 10.019 1.00 0.00 C ATOM 334 O GLY A 25 -7.178 11.792 9.952 1.00 0.00 O ATOM 0 H GLY A 25 -4.870 8.448 11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.846 9.499 11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.015 10.890 12.142 1.00 0.00 H new ATOM 338 N ASN A 26 -5.472 10.679 8.999 1.00 0.00 N ATOM 339 CA ASN A 26 -5.611 11.348 7.711 1.00 0.00 C ATOM 340 C ASN A 26 -6.183 10.399 6.662 1.00 0.00 C ATOM 341 O ASN A 26 -6.691 10.833 5.629 1.00 0.00 O ATOM 342 CB ASN A 26 -4.256 11.885 7.243 1.00 0.00 C ATOM 343 CG ASN A 26 -3.631 12.832 8.248 1.00 0.00 C ATOM 344 OD1 ASN A 26 -2.430 12.500 8.707 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -4.221 13.851 8.608 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.718 9.993 9.039 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.302 12.181 7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.579 11.049 7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.382 12.401 6.291 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.143 14.067 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.788 14.479 9.285 1.00 0.00 H new ATOM 351 N GLY A 27 -6.099 9.102 6.938 1.00 0.00 N ATOM 352 CA GLY A 27 -6.613 8.111 6.010 1.00 0.00 C ATOM 353 C GLY A 27 -5.510 7.396 5.254 1.00 0.00 C ATOM 354 O GLY A 27 -5.680 6.254 4.827 1.00 0.00 O ATOM 0 H GLY A 27 -5.684 8.719 7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.207 7.379 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.281 8.596 5.299 1.00 0.00 H new ATOM 358 N TYR A 28 -4.378 8.070 5.087 1.00 0.00 N ATOM 359 CA TYR A 28 -3.244 7.493 4.374 1.00 0.00 C ATOM 360 C TYR A 28 -2.061 7.280 5.313 1.00 0.00 C ATOM 361 O TYR A 28 -1.830 8.071 6.229 1.00 0.00 O ATOM 362 CB TYR A 28 -2.831 8.400 3.213 1.00 0.00 C ATOM 363 CG TYR A 28 -2.894 9.874 3.544 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.849 10.696 2.958 1.00 0.00 C ATOM 365 CD2 TYR A 28 -1.999 10.445 4.441 1.00 0.00 C ATOM 366 CE1 TYR A 28 -3.911 12.044 3.256 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.055 11.791 4.746 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.012 12.586 4.151 1.00 0.00 C ATOM 369 OH TYR A 28 -3.069 13.928 4.451 1.00 0.00 O ATOM 0 H TYR A 28 -4.221 9.016 5.435 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.550 6.524 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.815 8.148 2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.478 8.200 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.555 10.274 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.247 9.826 4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.659 12.669 2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.353 12.219 5.447 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.542 14.106 5.258 1.00 0.00 H new ATOM 378 N ILE A 29 -1.315 6.205 5.080 1.00 0.00 N ATOM 379 CA ILE A 29 -0.155 5.888 5.904 1.00 0.00 C ATOM 380 C ILE A 29 1.125 6.443 5.288 1.00 0.00 C ATOM 381 O ILE A 29 1.105 7.011 4.196 1.00 0.00 O ATOM 382 CB ILE A 29 -0.001 4.367 6.097 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.279 3.686 4.755 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.251 3.787 6.742 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.271 2.176 4.832 1.00 0.00 C ATOM 0 H ILE A 29 -1.493 5.539 4.328 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.320 6.355 6.875 1.00 0.00 H new ATOM 0 HB ILE A 29 0.845 4.183 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.468 4.009 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.248 4.018 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.128 2.712 6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.409 4.254 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.113 3.979 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.476 1.760 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.037 1.843 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.706 1.834 5.173 1.00 0.00 H new ATOM 396 N SER A 30 2.237 6.271 5.994 1.00 0.00 N ATOM 397 CA SER A 30 3.528 6.756 5.518 1.00 0.00 C ATOM 398 C SER A 30 4.324 5.631 4.864 1.00 0.00 C ATOM 399 O SER A 30 4.014 4.453 5.040 1.00 0.00 O ATOM 400 CB SER A 30 4.328 7.358 6.675 1.00 0.00 C ATOM 401 OG SER A 30 5.650 7.673 6.271 1.00 0.00 O ATOM 0 H SER A 30 2.271 5.799 6.898 1.00 0.00 H new ATOM 0 HA SER A 30 3.345 7.529 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.830 8.258 7.036 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.356 6.654 7.507 1.00 0.00 H new ATOM 0 HG SER A 30 6.140 8.058 7.027 1.00 0.00 H new ATOM 406 N PHE A 31 5.351 6.004 4.108 1.00 0.00 N ATOM 407 CA PHE A 31 6.192 5.028 3.426 1.00 0.00 C ATOM 408 C PHE A 31 6.571 3.885 4.364 1.00 0.00 C ATOM 409 O PHE A 31 6.304 2.719 4.080 1.00 0.00 O ATOM 410 CB PHE A 31 7.457 5.700 2.887 1.00 0.00 C ATOM 411 CG PHE A 31 7.440 5.902 1.398 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.232 5.120 0.571 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.634 6.872 0.827 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.219 5.303 -0.798 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.616 7.060 -0.543 1.00 0.00 C ATOM 416 CZ PHE A 31 7.411 6.275 -1.356 1.00 0.00 C ATOM 0 H PHE A 31 5.621 6.975 3.952 1.00 0.00 H new ATOM 0 HA PHE A 31 5.623 4.617 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.582 6.666 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.323 5.094 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.866 4.359 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.012 7.489 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.840 4.687 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.982 7.819 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.401 6.421 -2.426 1.00 0.00 H new ATOM 425 N ASN A 32 7.195 4.231 5.486 1.00 0.00 N ATOM 426 CA ASN A 32 7.612 3.236 6.467 1.00 0.00 C ATOM 427 C ASN A 32 6.433 2.369 6.896 1.00 0.00 C ATOM 428 O ASN A 32 6.542 1.144 6.962 1.00 0.00 O ATOM 429 CB ASN A 32 8.227 3.920 7.689 1.00 0.00 C ATOM 430 CG ASN A 32 9.361 4.857 7.318 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.136 5.933 6.764 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.588 4.450 7.622 1.00 0.00 N ATOM 0 H ASN A 32 7.423 5.193 5.738 1.00 0.00 H new ATOM 0 HA ASN A 32 8.362 2.596 6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.454 4.480 8.216 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.597 3.161 8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.391 5.037 7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.728 3.550 8.081 1.00 0.00 H new ATOM 438 N GLU A 33 5.306 3.011 7.186 1.00 0.00 N ATOM 439 CA GLU A 33 4.107 2.298 7.609 1.00 0.00 C ATOM 440 C GLU A 33 3.653 1.314 6.536 1.00 0.00 C ATOM 441 O GLU A 33 3.232 0.197 6.838 1.00 0.00 O ATOM 442 CB GLU A 33 2.981 3.287 7.920 1.00 0.00 C ATOM 443 CG GLU A 33 3.354 4.322 8.967 1.00 0.00 C ATOM 444 CD GLU A 33 2.145 5.058 9.515 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.911 4.983 10.739 1.00 0.00 O ATOM 446 OE2 GLU A 33 1.435 5.708 8.719 1.00 0.00 O ATOM 0 H GLU A 33 5.198 4.024 7.136 1.00 0.00 H new ATOM 0 HA GLU A 33 4.348 1.738 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.694 3.799 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.107 2.734 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.879 3.832 9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.046 5.042 8.531 1.00 0.00 H new ATOM 451 N LEU A 34 3.739 1.737 5.279 1.00 0.00 N ATOM 452 CA LEU A 34 3.336 0.893 4.158 1.00 0.00 C ATOM 453 C LEU A 34 4.090 -0.432 4.175 1.00 0.00 C ATOM 454 O LEU A 34 3.491 -1.495 4.323 1.00 0.00 O ATOM 455 CB LEU A 34 3.586 1.619 2.835 1.00 0.00 C ATOM 456 CG LEU A 34 3.768 0.726 1.605 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.513 -0.095 1.352 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.112 1.567 0.384 1.00 0.00 C ATOM 0 H LEU A 34 4.084 2.659 5.010 1.00 0.00 H new ATOM 0 HA LEU A 34 2.271 0.684 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.750 2.293 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.476 2.238 2.945 1.00 0.00 H new ATOM 0 HG LEU A 34 4.594 0.040 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.660 -0.724 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.309 -0.724 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.669 0.574 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.238 0.917 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.306 2.276 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.038 2.112 0.567 1.00 0.00 H new ATOM 469 N ASN A 35 5.409 -0.359 4.026 1.00 0.00 N ATOM 470 CA ASN A 35 6.246 -1.553 4.026 1.00 0.00 C ATOM 471 C ASN A 35 5.900 -2.460 5.204 1.00 0.00 C ATOM 472 O ASN A 35 5.728 -3.668 5.042 1.00 0.00 O ATOM 473 CB ASN A 35 7.725 -1.166 4.083 1.00 0.00 C ATOM 474 CG ASN A 35 8.638 -2.375 4.136 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.602 -3.152 5.091 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.463 -2.540 3.109 1.00 0.00 N ATOM 0 H ASN A 35 5.921 0.515 3.904 1.00 0.00 H new ATOM 0 HA ASN A 35 6.056 -2.099 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.974 -0.564 3.209 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.901 -0.543 4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.101 -3.336 3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.459 -1.871 2.339 1.00 0.00 H new ATOM 482 N ASP A 36 5.798 -1.868 6.389 1.00 0.00 N ATOM 483 CA ASP A 36 5.472 -2.620 7.594 1.00 0.00 C ATOM 484 C ASP A 36 4.096 -3.267 7.475 1.00 0.00 C ATOM 485 O ASP A 36 3.877 -4.381 7.953 1.00 0.00 O ATOM 486 CB ASP A 36 5.515 -1.706 8.820 1.00 0.00 C ATOM 487 CG ASP A 36 6.809 -1.838 9.596 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.374 -0.797 9.993 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.258 -2.984 9.809 1.00 0.00 O ATOM 0 H ASP A 36 5.937 -0.869 6.540 1.00 0.00 H new ATOM 0 HA ASP A 36 6.216 -3.408 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.390 -0.671 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.676 -1.942 9.475 1.00 0.00 H new ATOM 493 N LEU A 37 3.170 -2.561 6.835 1.00 0.00 N ATOM 494 CA LEU A 37 1.813 -3.065 6.653 1.00 0.00 C ATOM 495 C LEU A 37 1.807 -4.302 5.759 1.00 0.00 C ATOM 496 O LEU A 37 1.097 -5.272 6.026 1.00 0.00 O ATOM 497 CB LEU A 37 0.921 -1.981 6.047 1.00 0.00 C ATOM 498 CG LEU A 37 -0.173 -2.465 5.096 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.083 -3.464 5.793 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.979 -1.287 4.566 1.00 0.00 C ATOM 0 H LEU A 37 3.334 -1.638 6.433 1.00 0.00 H new ATOM 0 HA LEU A 37 1.422 -3.343 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.449 -1.430 6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.555 -1.275 5.510 1.00 0.00 H new ATOM 0 HG LEU A 37 0.302 -2.965 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.856 -3.797 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.497 -4.322 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.550 -2.990 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.753 -1.650 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.443 -0.759 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.319 -0.607 4.028 1.00 0.00 H new ATOM 511 N PHE A 38 2.605 -4.261 4.697 1.00 0.00 N ATOM 512 CA PHE A 38 2.693 -5.378 3.764 1.00 0.00 C ATOM 513 C PHE A 38 3.075 -6.665 4.489 1.00 0.00 C ATOM 514 O PHE A 38 2.383 -7.677 4.388 1.00 0.00 O ATOM 515 CB PHE A 38 3.716 -5.075 2.667 1.00 0.00 C ATOM 516 CG PHE A 38 3.099 -4.847 1.317 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.547 -3.618 0.991 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.069 -5.862 0.374 1.00 0.00 C ATOM 519 CE1 PHE A 38 1.979 -3.405 -0.251 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.503 -5.654 -0.869 1.00 0.00 C ATOM 521 CZ PHE A 38 1.955 -4.425 -1.181 1.00 0.00 C ATOM 0 H PHE A 38 3.200 -3.467 4.461 1.00 0.00 H new ATOM 0 HA PHE A 38 1.712 -5.516 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.289 -4.192 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.421 -5.904 2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.561 -2.818 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.493 -6.826 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.555 -2.442 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.489 -6.452 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.509 -4.262 -2.151 1.00 0.00 H new ATOM 530 N LYS A 39 4.183 -6.617 5.222 1.00 0.00 N ATOM 531 CA LYS A 39 4.658 -7.777 5.967 1.00 0.00 C ATOM 532 C LYS A 39 3.741 -8.080 7.147 1.00 0.00 C ATOM 533 O LYS A 39 3.535 -9.239 7.504 1.00 0.00 O ATOM 534 CB LYS A 39 6.086 -7.538 6.464 1.00 0.00 C ATOM 535 CG LYS A 39 6.999 -6.924 5.418 1.00 0.00 C ATOM 536 CD LYS A 39 8.464 -7.175 5.739 1.00 0.00 C ATOM 537 CE LYS A 39 8.946 -8.491 5.150 1.00 0.00 C ATOM 538 NZ LYS A 39 8.712 -9.634 6.075 1.00 0.00 N ATOM 0 H LYS A 39 4.769 -5.787 5.316 1.00 0.00 H new ATOM 0 HA LYS A 39 4.651 -8.636 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.054 -6.884 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.511 -8.486 6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.764 -7.341 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.817 -5.851 5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.069 -6.357 5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.604 -7.186 6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.432 -8.676 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.010 -8.419 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.412 -10.380 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.805 -9.309 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.755 -10.012 5.924 1.00 0.00 H new ATOM 548 N ALA A 40 3.192 -7.029 7.748 1.00 0.00 N ATOM 549 CA ALA A 40 2.293 -7.183 8.886 1.00 0.00 C ATOM 550 C ALA A 40 1.002 -7.881 8.475 1.00 0.00 C ATOM 551 O ALA A 40 0.375 -8.571 9.279 1.00 0.00 O ATOM 552 CB ALA A 40 1.990 -5.827 9.506 1.00 0.00 C ATOM 0 H ALA A 40 3.354 -6.062 7.466 1.00 0.00 H new ATOM 0 HA ALA A 40 2.790 -7.806 9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.318 -5.957 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.918 -5.367 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.517 -5.185 8.763 1.00 0.00 H new ATOM 558 N ALA A 41 0.609 -7.696 7.219 1.00 0.00 N ATOM 559 CA ALA A 41 -0.608 -8.308 6.701 1.00 0.00 C ATOM 560 C ALA A 41 -0.301 -9.620 5.985 1.00 0.00 C ATOM 561 O ALA A 41 -1.116 -10.119 5.208 1.00 0.00 O ATOM 562 CB ALA A 41 -1.326 -7.348 5.765 1.00 0.00 C ATOM 0 H ALA A 41 1.116 -7.127 6.541 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.261 -8.529 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.233 -7.819 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.588 -6.439 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.672 -7.096 4.930 1.00 0.00 H new ATOM 568 N CYS A 42 0.878 -10.170 6.250 1.00 0.00 N ATOM 569 CA CYS A 42 1.292 -11.423 5.629 1.00 0.00 C ATOM 570 C CYS A 42 1.147 -11.353 4.113 1.00 0.00 C ATOM 571 O CYS A 42 0.433 -12.155 3.509 1.00 0.00 O ATOM 572 CB CYS A 42 0.468 -12.588 6.180 1.00 0.00 C ATOM 573 SG CYS A 42 1.311 -14.186 6.114 1.00 0.00 S ATOM 0 H CYS A 42 1.564 -9.769 6.890 1.00 0.00 H new ATOM 0 HA CYS A 42 2.343 -11.587 5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.201 -12.373 7.215 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.464 -12.657 5.618 1.00 0.00 H new ATOM 0 HG CYS A 42 0.535 -15.107 6.604 1.00 0.00 H new ATOM 578 N LEU A 43 1.826 -10.388 3.503 1.00 0.00 N ATOM 579 CA LEU A 43 1.770 -10.212 2.055 1.00 0.00 C ATOM 580 C LEU A 43 2.720 -11.176 1.353 1.00 0.00 C ATOM 581 O LEU A 43 3.735 -11.601 1.905 1.00 0.00 O ATOM 582 CB LEU A 43 2.123 -8.770 1.684 1.00 0.00 C ATOM 583 CG LEU A 43 0.964 -7.774 1.685 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.349 -7.668 0.297 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.089 -8.182 2.706 1.00 0.00 C ATOM 0 H LEU A 43 2.421 -9.716 3.987 1.00 0.00 H new ATOM 0 HA LEU A 43 0.754 -10.428 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.883 -8.413 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.574 -8.771 0.692 1.00 0.00 H new ATOM 0 HG LEU A 43 1.353 -6.795 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.475 -6.954 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.105 -7.329 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.025 -8.645 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.907 -7.462 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.473 -9.171 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.358 -8.206 3.700 1.00 0.00 H new ATOM 596 N PRO A 44 2.386 -11.531 0.103 1.00 0.00 N ATOM 597 CA PRO A 44 3.197 -12.447 -0.704 1.00 0.00 C ATOM 598 C PRO A 44 4.523 -11.826 -1.130 1.00 0.00 C ATOM 599 O PRO A 44 5.579 -12.446 -1.004 1.00 0.00 O ATOM 600 CB PRO A 44 2.316 -12.718 -1.927 1.00 0.00 C ATOM 601 CG PRO A 44 1.434 -11.522 -2.030 1.00 0.00 C ATOM 602 CD PRO A 44 1.190 -11.063 -0.619 1.00 0.00 C ATOM 0 HA PRO A 44 3.469 -13.345 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.917 -12.846 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.733 -13.630 -1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.909 -10.737 -2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.496 -11.771 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.084 -9.980 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.278 -11.495 -0.208 1.00 0.00 H new ATOM 607 N LEU A 45 4.460 -10.599 -1.634 1.00 0.00 N ATOM 608 CA LEU A 45 5.657 -9.893 -2.079 1.00 0.00 C ATOM 609 C LEU A 45 6.672 -9.775 -0.947 1.00 0.00 C ATOM 610 O LEU A 45 6.319 -9.645 0.226 1.00 0.00 O ATOM 611 CB LEU A 45 5.290 -8.500 -2.596 1.00 0.00 C ATOM 612 CG LEU A 45 4.243 -8.453 -3.710 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.510 -7.283 -4.644 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.229 -9.763 -4.484 1.00 0.00 C ATOM 0 H LEU A 45 3.594 -10.072 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 45 6.107 -10.468 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.926 -7.907 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.198 -8.017 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 45 3.262 -8.312 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.755 -7.265 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.469 -6.351 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.498 -7.393 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.478 -9.712 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.210 -9.934 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.989 -10.583 -3.807 1.00 0.00 H new ATOM 625 N PRO A 46 7.964 -9.819 -1.303 1.00 0.00 N ATOM 626 CA PRO A 46 9.057 -9.716 -0.331 1.00 0.00 C ATOM 627 C PRO A 46 9.170 -8.319 0.270 1.00 0.00 C ATOM 628 O PRO A 46 8.289 -7.480 0.083 1.00 0.00 O ATOM 629 CB PRO A 46 10.302 -10.043 -1.161 1.00 0.00 C ATOM 630 CG PRO A 46 9.929 -9.685 -2.559 1.00 0.00 C ATOM 631 CD PRO A 46 8.458 -9.972 -2.681 1.00 0.00 C ATOM 0 HA PRO A 46 8.908 -10.380 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.165 -9.470 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.567 -11.097 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.140 -8.635 -2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.502 -10.271 -3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.968 -9.277 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.275 -10.976 -3.064 1.00 0.00 H new ATOM 636 N GLY A 47 10.260 -8.076 0.991 1.00 0.00 N ATOM 637 CA GLY A 47 10.467 -6.779 1.608 1.00 0.00 C ATOM 638 C GLY A 47 11.007 -5.753 0.632 1.00 0.00 C ATOM 639 O GLY A 47 10.614 -4.587 0.666 1.00 0.00 O ATOM 0 H GLY A 47 11.003 -8.754 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.524 -6.422 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.161 -6.883 2.442 1.00 0.00 H new ATOM 643 N TYR A 48 11.912 -6.186 -0.238 1.00 0.00 N ATOM 644 CA TYR A 48 12.510 -5.295 -1.226 1.00 0.00 C ATOM 645 C TYR A 48 11.490 -4.894 -2.286 1.00 0.00 C ATOM 646 O TYR A 48 11.491 -3.760 -2.766 1.00 0.00 O ATOM 647 CB TYR A 48 13.714 -5.968 -1.887 1.00 0.00 C ATOM 648 CG TYR A 48 13.347 -7.166 -2.735 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.379 -8.451 -2.206 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.969 -7.013 -4.063 1.00 0.00 C ATOM 651 CE1 TYR A 48 13.045 -9.549 -2.977 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.633 -8.105 -4.840 1.00 0.00 C ATOM 653 CZ TYR A 48 12.672 -9.370 -4.293 1.00 0.00 C ATOM 654 OH TYR A 48 12.339 -10.460 -5.064 1.00 0.00 O ATOM 0 H TYR A 48 12.248 -7.148 -0.280 1.00 0.00 H new ATOM 0 HA TYR A 48 12.844 -4.394 -0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.232 -5.238 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.415 -6.282 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.670 -8.594 -1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.937 -6.024 -4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.076 -10.541 -2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.341 -7.968 -5.871 1.00 0.00 H new ATOM 0 HH TYR A 48 12.099 -10.162 -5.966 1.00 0.00 H new ATOM 663 N ARG A 49 10.621 -5.832 -2.647 1.00 0.00 N ATOM 664 CA ARG A 49 9.595 -5.577 -3.651 1.00 0.00 C ATOM 665 C ARG A 49 8.728 -4.387 -3.252 1.00 0.00 C ATOM 666 O ARG A 49 8.547 -3.449 -4.031 1.00 0.00 O ATOM 667 CB ARG A 49 8.720 -6.818 -3.842 1.00 0.00 C ATOM 668 CG ARG A 49 9.143 -7.686 -5.016 1.00 0.00 C ATOM 669 CD ARG A 49 8.098 -7.679 -6.120 1.00 0.00 C ATOM 670 NE ARG A 49 7.733 -9.029 -6.537 1.00 0.00 N ATOM 671 CZ ARG A 49 8.556 -9.846 -7.186 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.785 -9.450 -7.490 1.00 0.00 N ATOM 673 NH2 ARG A 49 8.152 -11.062 -7.532 1.00 0.00 N ATOM 0 H ARG A 49 10.607 -6.775 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 49 10.093 -5.342 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.748 -7.415 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.686 -6.505 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.093 -7.327 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.305 -8.708 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.208 -7.154 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.481 -7.126 -6.978 1.00 0.00 H new ATOM 0 HE ARG A 49 6.795 -9.364 -6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.100 -8.517 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.415 -10.079 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.208 -11.371 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.785 -11.687 -8.030 1.00 0.00 H new ATOM 684 N VAL A 50 8.193 -4.431 -2.037 1.00 0.00 N ATOM 685 CA VAL A 50 7.345 -3.356 -1.535 1.00 0.00 C ATOM 686 C VAL A 50 8.123 -2.050 -1.421 1.00 0.00 C ATOM 687 O VAL A 50 7.740 -1.033 -2.001 1.00 0.00 O ATOM 688 CB VAL A 50 6.750 -3.707 -0.159 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.789 -2.621 0.300 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.055 -5.059 -0.210 1.00 0.00 C ATOM 0 H VAL A 50 8.332 -5.200 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 50 6.534 -3.231 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 50 7.563 -3.768 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.378 -2.886 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.321 -1.673 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.978 -2.524 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.640 -5.292 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.252 -5.028 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.775 -5.828 -0.491 1.00 0.00 H new ATOM 700 N ARG A 51 9.220 -2.085 -0.670 1.00 0.00 N ATOM 701 CA ARG A 51 10.053 -0.903 -0.479 1.00 0.00 C ATOM 702 C ARG A 51 10.451 -0.295 -1.821 1.00 0.00 C ATOM 703 O ARG A 51 10.477 0.925 -1.977 1.00 0.00 O ATOM 704 CB ARG A 51 11.305 -1.260 0.323 1.00 0.00 C ATOM 705 CG ARG A 51 12.258 -0.091 0.518 1.00 0.00 C ATOM 706 CD ARG A 51 13.638 -0.397 -0.040 1.00 0.00 C ATOM 707 NE ARG A 51 14.680 -0.264 0.973 1.00 0.00 N ATOM 708 CZ ARG A 51 15.979 -0.364 0.709 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.392 -0.596 -0.529 1.00 0.00 N ATOM 710 NH2 ARG A 51 16.868 -0.231 1.687 1.00 0.00 N ATOM 0 H ARG A 51 9.552 -2.918 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 51 9.472 -0.166 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.005 -1.640 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.833 -2.068 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.854 0.794 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.337 0.142 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.650 -1.410 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.851 0.277 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 51 14.396 -0.085 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.712 -0.698 -1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.389 -0.672 -0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.554 -0.052 2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.865 -0.308 1.484 1.00 0.00 H new ATOM 721 N GLU A 52 10.760 -1.155 -2.786 1.00 0.00 N ATOM 722 CA GLU A 52 11.158 -0.704 -4.113 1.00 0.00 C ATOM 723 C GLU A 52 9.967 -0.118 -4.868 1.00 0.00 C ATOM 724 O GLU A 52 10.036 0.998 -5.387 1.00 0.00 O ATOM 725 CB GLU A 52 11.761 -1.861 -4.912 1.00 0.00 C ATOM 726 CG GLU A 52 12.257 -1.456 -6.290 1.00 0.00 C ATOM 727 CD GLU A 52 12.429 -2.643 -7.219 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.458 -2.699 -7.925 1.00 0.00 O ATOM 729 OE2 GLU A 52 11.534 -3.514 -7.242 1.00 0.00 O ATOM 0 H GLU A 52 10.742 -2.169 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 52 11.911 0.075 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.590 -2.288 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.012 -2.645 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.553 -0.751 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.210 -0.935 -6.191 1.00 0.00 H new ATOM 734 N ILE A 53 8.878 -0.876 -4.924 1.00 0.00 N ATOM 735 CA ILE A 53 7.674 -0.432 -5.613 1.00 0.00 C ATOM 736 C ILE A 53 7.296 0.987 -5.203 1.00 0.00 C ATOM 737 O ILE A 53 6.913 1.808 -6.038 1.00 0.00 O ATOM 738 CB ILE A 53 6.485 -1.369 -5.331 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.676 -2.704 -6.055 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.179 -0.712 -5.755 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.985 -3.865 -5.373 1.00 0.00 C ATOM 0 H ILE A 53 8.805 -1.801 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 53 7.897 -0.452 -6.680 1.00 0.00 H new ATOM 0 HB ILE A 53 6.440 -1.562 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.297 -2.613 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.742 -2.919 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.348 -1.387 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.040 0.215 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.212 -0.492 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.163 -4.778 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.380 -3.982 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.913 -3.672 -5.323 1.00 0.00 H new ATOM 752 N THR A 54 7.407 1.273 -3.908 1.00 0.00 N ATOM 753 CA THR A 54 7.079 2.592 -3.385 1.00 0.00 C ATOM 754 C THR A 54 8.136 3.618 -3.778 1.00 0.00 C ATOM 755 O THR A 54 7.828 4.626 -4.413 1.00 0.00 O ATOM 756 CB THR A 54 6.946 2.572 -1.851 1.00 0.00 C ATOM 757 OG1 THR A 54 6.742 1.229 -1.395 1.00 0.00 O ATOM 758 CG2 THR A 54 5.788 3.447 -1.397 1.00 0.00 C ATOM 0 H THR A 54 7.722 0.607 -3.203 1.00 0.00 H new ATOM 0 HA THR A 54 6.121 2.875 -3.822 1.00 0.00 H new ATOM 0 HB THR A 54 7.868 2.966 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.550 0.700 -1.564 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.714 3.417 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.959 4.474 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.860 3.078 -1.834 1.00 0.00 H new ATOM 766 N GLU A 55 9.381 3.353 -3.397 1.00 0.00 N ATOM 767 CA GLU A 55 10.483 4.255 -3.710 1.00 0.00 C ATOM 768 C GLU A 55 10.509 4.585 -5.200 1.00 0.00 C ATOM 769 O GLU A 55 10.853 5.699 -5.594 1.00 0.00 O ATOM 770 CB GLU A 55 11.817 3.632 -3.292 1.00 0.00 C ATOM 771 CG GLU A 55 12.550 4.423 -2.222 1.00 0.00 C ATOM 772 CD GLU A 55 13.912 4.904 -2.682 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.609 4.135 -3.374 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.281 6.050 -2.349 1.00 0.00 O ATOM 0 H GLU A 55 9.652 2.522 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 55 10.331 5.179 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.637 2.621 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.458 3.544 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.945 5.282 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.669 3.802 -1.334 1.00 0.00 H new ATOM 779 N ASN A 56 10.143 3.608 -6.024 1.00 0.00 N ATOM 780 CA ASN A 56 10.126 3.795 -7.470 1.00 0.00 C ATOM 781 C ASN A 56 8.789 4.370 -7.927 1.00 0.00 C ATOM 782 O ASN A 56 8.691 4.962 -9.003 1.00 0.00 O ATOM 783 CB ASN A 56 10.391 2.465 -8.179 1.00 0.00 C ATOM 784 CG ASN A 56 11.868 2.224 -8.424 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.670 2.216 -7.490 1.00 0.00 O ATOM 786 ND2 ASN A 56 12.234 2.028 -9.685 1.00 0.00 N ATOM 0 H ASN A 56 9.855 2.680 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 56 10.914 4.502 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.987 1.650 -7.579 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.861 2.452 -9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.215 1.862 -9.912 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.535 2.043 -10.427 1.00 0.00 H new ATOM 792 N LEU A 57 7.761 4.193 -7.105 1.00 0.00 N ATOM 793 CA LEU A 57 6.430 4.694 -7.424 1.00 0.00 C ATOM 794 C LEU A 57 6.436 6.216 -7.542 1.00 0.00 C ATOM 795 O LEU A 57 6.108 6.767 -8.592 1.00 0.00 O ATOM 796 CB LEU A 57 5.428 4.259 -6.353 1.00 0.00 C ATOM 797 CG LEU A 57 4.402 3.208 -6.781 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.477 2.863 -5.626 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.603 3.700 -7.979 1.00 0.00 C ATOM 0 H LEU A 57 7.824 3.705 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 57 6.131 4.273 -8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.984 3.869 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.891 5.142 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 57 4.937 2.304 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.754 2.114 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.063 2.467 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.949 3.760 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.878 2.940 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.079 4.619 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.279 3.895 -8.812 1.00 0.00 H new ATOM 810 N MET A 58 6.810 6.886 -6.458 1.00 0.00 N ATOM 811 CA MET A 58 6.862 8.344 -6.442 1.00 0.00 C ATOM 812 C MET A 58 8.181 8.848 -7.017 1.00 0.00 C ATOM 813 O MET A 58 8.356 10.046 -7.237 1.00 0.00 O ATOM 814 CB MET A 58 6.682 8.865 -5.014 1.00 0.00 C ATOM 815 CG MET A 58 7.664 8.267 -4.020 1.00 0.00 C ATOM 816 SD MET A 58 9.063 9.353 -3.686 1.00 0.00 S ATOM 817 CE MET A 58 9.170 9.229 -1.903 1.00 0.00 C ATOM 0 H MET A 58 7.081 6.444 -5.580 1.00 0.00 H new ATOM 0 HA MET A 58 6.049 8.719 -7.064 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.794 9.949 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.666 8.650 -4.683 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.144 8.053 -3.086 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.031 7.316 -4.406 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.855 9.988 -1.526 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.183 9.383 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.538 8.240 -1.628 1.00 0.00 H new ATOM 825 N ALA A 59 9.107 7.926 -7.258 1.00 0.00 N ATOM 826 CA ALA A 59 10.410 8.277 -7.810 1.00 0.00 C ATOM 827 C ALA A 59 10.267 9.230 -8.993 1.00 0.00 C ATOM 828 O ALA A 59 11.172 10.011 -9.288 1.00 0.00 O ATOM 829 CB ALA A 59 11.162 7.022 -8.228 1.00 0.00 C ATOM 0 H ALA A 59 8.979 6.930 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 59 10.980 8.787 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.133 7.299 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.305 6.378 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.587 6.489 -8.985 1.00 0.00 H new ATOM 835 N THR A 60 9.123 9.160 -9.666 1.00 0.00 N ATOM 836 CA THR A 60 8.862 10.014 -10.818 1.00 0.00 C ATOM 837 C THR A 60 7.880 11.126 -10.467 1.00 0.00 C ATOM 838 O THR A 60 8.188 12.308 -10.610 1.00 0.00 O ATOM 839 CB THR A 60 8.302 9.205 -12.003 1.00 0.00 C ATOM 840 OG1 THR A 60 7.408 8.194 -11.526 1.00 0.00 O ATOM 841 CG2 THR A 60 9.427 8.560 -12.797 1.00 0.00 C ATOM 0 H THR A 60 8.363 8.521 -9.433 1.00 0.00 H new ATOM 0 HA THR A 60 9.816 10.454 -11.107 1.00 0.00 H new ATOM 0 HB THR A 60 7.761 9.888 -12.658 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.055 7.685 -12.285 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.007 7.994 -13.629 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.090 9.334 -13.183 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.991 7.889 -12.149 1.00 0.00 H new ATOM 849 N GLY A 61 6.695 10.737 -10.005 1.00 0.00 N ATOM 850 CA GLY A 61 5.685 11.713 -9.640 1.00 0.00 C ATOM 851 C GLY A 61 4.353 11.072 -9.307 1.00 0.00 C ATOM 852 O GLY A 61 3.302 11.539 -9.750 1.00 0.00 O ATOM 0 H GLY A 61 6.417 9.764 -9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.033 12.288 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.551 12.417 -10.461 1.00 0.00 H new ATOM 856 N ASP A 62 4.393 9.998 -8.526 1.00 0.00 N ATOM 857 CA ASP A 62 3.180 9.291 -8.134 1.00 0.00 C ATOM 858 C ASP A 62 2.645 9.822 -6.806 1.00 0.00 C ATOM 859 O ASP A 62 1.489 10.236 -6.711 1.00 0.00 O ATOM 860 CB ASP A 62 3.451 7.790 -8.025 1.00 0.00 C ATOM 861 CG ASP A 62 3.460 7.104 -9.376 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.668 6.156 -9.566 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.257 7.514 -10.245 1.00 0.00 O ATOM 0 H ASP A 62 5.253 9.598 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 62 2.426 9.461 -8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.411 7.632 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.691 7.331 -7.393 1.00 0.00 H new ATOM 867 N LEU A 63 3.494 9.806 -5.785 1.00 0.00 N ATOM 868 CA LEU A 63 3.108 10.284 -4.462 1.00 0.00 C ATOM 869 C LEU A 63 3.535 11.735 -4.261 1.00 0.00 C ATOM 870 O LEU A 63 3.663 12.204 -3.131 1.00 0.00 O ATOM 871 CB LEU A 63 3.729 9.403 -3.378 1.00 0.00 C ATOM 872 CG LEU A 63 3.393 7.913 -3.450 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.073 7.507 -4.880 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.542 7.080 -2.901 1.00 0.00 C ATOM 0 H LEU A 63 4.454 9.467 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 63 2.022 10.230 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.812 9.513 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.412 9.780 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 63 2.512 7.729 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.836 6.443 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.218 8.080 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.935 7.706 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.285 6.022 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.441 7.269 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.724 7.352 -1.861 1.00 0.00 H new ATOM 885 N ASP A 64 3.755 12.440 -5.366 1.00 0.00 N ATOM 886 CA ASP A 64 4.165 13.838 -5.311 1.00 0.00 C ATOM 887 C ASP A 64 2.998 14.732 -4.904 1.00 0.00 C ATOM 888 O ASP A 64 3.166 15.933 -4.701 1.00 0.00 O ATOM 889 CB ASP A 64 4.714 14.284 -6.668 1.00 0.00 C ATOM 890 CG ASP A 64 5.898 15.222 -6.533 1.00 0.00 C ATOM 891 OD1 ASP A 64 5.885 16.291 -7.180 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.837 14.888 -5.781 1.00 0.00 O ATOM 0 H ASP A 64 3.656 12.066 -6.310 1.00 0.00 H new ATOM 0 HA ASP A 64 4.950 13.931 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.013 13.407 -7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.924 14.780 -7.231 1.00 0.00 H new ATOM 896 N GLN A 65 1.816 14.136 -4.787 1.00 0.00 N ATOM 897 CA GLN A 65 0.620 14.878 -4.406 1.00 0.00 C ATOM 898 C GLN A 65 0.679 15.286 -2.937 1.00 0.00 C ATOM 899 O GLN A 65 0.116 16.308 -2.544 1.00 0.00 O ATOM 900 CB GLN A 65 -0.631 14.039 -4.664 1.00 0.00 C ATOM 901 CG GLN A 65 -0.949 13.059 -3.547 1.00 0.00 C ATOM 902 CD GLN A 65 -0.025 11.857 -3.544 1.00 0.00 C ATOM 903 OE1 GLN A 65 1.067 11.900 -2.978 1.00 0.00 O ATOM 904 NE2 GLN A 65 -0.461 10.775 -4.180 1.00 0.00 N ATOM 0 H GLN A 65 1.661 13.141 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 65 0.574 15.781 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.482 14.705 -4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.502 13.486 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.876 13.571 -2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.980 12.720 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.374 10.784 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.117 9.935 -4.213 1.00 0.00 H new ATOM 911 N ASP A 66 1.364 14.482 -2.132 1.00 0.00 N ATOM 912 CA ASP A 66 1.496 14.760 -0.707 1.00 0.00 C ATOM 913 C ASP A 66 2.702 14.031 -0.121 1.00 0.00 C ATOM 914 O ASP A 66 3.395 14.556 0.749 1.00 0.00 O ATOM 915 CB ASP A 66 0.225 14.347 0.036 1.00 0.00 C ATOM 916 CG ASP A 66 -0.363 15.481 0.853 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.416 16.208 1.506 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.600 15.642 0.840 1.00 0.00 O ATOM 0 H ASP A 66 1.836 13.633 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 66 1.646 15.833 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.516 13.999 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.449 13.507 0.694 1.00 0.00 H new ATOM 922 N GLY A 67 2.944 12.816 -0.603 1.00 0.00 N ATOM 923 CA GLY A 67 4.065 12.034 -0.115 1.00 0.00 C ATOM 924 C GLY A 67 3.623 10.798 0.641 1.00 0.00 C ATOM 925 O GLY A 67 4.352 9.806 0.703 1.00 0.00 O ATOM 0 H GLY A 67 2.384 12.359 -1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.691 11.737 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.680 12.654 0.537 1.00 0.00 H new ATOM 929 N ARG A 68 2.428 10.855 1.220 1.00 0.00 N ATOM 930 CA ARG A 68 1.892 9.731 1.979 1.00 0.00 C ATOM 931 C ARG A 68 1.389 8.635 1.044 1.00 0.00 C ATOM 932 O ARG A 68 1.657 8.659 -0.157 1.00 0.00 O ATOM 933 CB ARG A 68 0.756 10.201 2.890 1.00 0.00 C ATOM 934 CG ARG A 68 1.118 11.405 3.743 1.00 0.00 C ATOM 935 CD ARG A 68 0.567 12.693 3.150 1.00 0.00 C ATOM 936 NE ARG A 68 0.274 13.687 4.178 1.00 0.00 N ATOM 937 CZ ARG A 68 1.211 14.329 4.867 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.493 14.082 4.641 1.00 0.00 N ATOM 939 NH2 ARG A 68 0.864 15.222 5.787 1.00 0.00 N ATOM 0 H ARG A 68 1.813 11.667 1.178 1.00 0.00 H new ATOM 0 HA ARG A 68 2.695 9.321 2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.111 10.448 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.461 9.379 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.725 11.270 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.202 11.478 3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.288 13.104 2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.341 12.474 2.588 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.703 13.900 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.764 13.397 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.209 14.577 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.122 15.415 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.583 15.715 6.316 1.00 0.00 H new ATOM 950 N ILE A 69 0.661 7.675 1.605 1.00 0.00 N ATOM 951 CA ILE A 69 0.120 6.571 0.823 1.00 0.00 C ATOM 952 C ILE A 69 -1.237 6.130 1.359 1.00 0.00 C ATOM 953 O ILE A 69 -1.328 5.527 2.427 1.00 0.00 O ATOM 954 CB ILE A 69 1.076 5.362 0.820 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.407 5.738 0.164 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.437 4.184 0.099 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.513 4.742 0.430 1.00 0.00 C ATOM 0 H ILE A 69 0.432 7.640 2.598 1.00 0.00 H new ATOM 0 HA ILE A 69 0.003 6.935 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 69 1.272 5.069 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.260 5.827 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.717 6.718 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.124 3.338 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.487 3.905 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.216 4.464 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.426 5.072 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.687 4.670 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.223 3.765 0.043 1.00 0.00 H new ATOM 968 N SER A 70 -2.291 6.434 0.607 1.00 0.00 N ATOM 969 CA SER A 70 -3.645 6.071 1.007 1.00 0.00 C ATOM 970 C SER A 70 -3.941 4.614 0.665 1.00 0.00 C ATOM 971 O SER A 70 -3.311 4.032 -0.218 1.00 0.00 O ATOM 972 CB SER A 70 -4.664 6.985 0.323 1.00 0.00 C ATOM 973 OG SER A 70 -5.355 6.297 -0.705 1.00 0.00 O ATOM 0 H SER A 70 -2.233 6.931 -0.282 1.00 0.00 H new ATOM 0 HA SER A 70 -3.724 6.195 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.377 7.356 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.155 7.854 -0.095 1.00 0.00 H new ATOM 0 HG SER A 70 -6.001 6.901 -1.126 1.00 0.00 H new ATOM 978 N PHE A 71 -4.904 4.030 1.370 1.00 0.00 N ATOM 979 CA PHE A 71 -5.284 2.641 1.143 1.00 0.00 C ATOM 980 C PHE A 71 -5.474 2.366 -0.346 1.00 0.00 C ATOM 981 O PHE A 71 -5.189 1.270 -0.828 1.00 0.00 O ATOM 982 CB PHE A 71 -6.570 2.311 1.901 1.00 0.00 C ATOM 983 CG PHE A 71 -6.835 0.837 2.021 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.129 0.345 1.966 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.788 -0.056 2.189 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.376 -1.011 2.075 1.00 0.00 C ATOM 987 CE2 PHE A 71 -6.029 -1.413 2.298 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.324 -1.891 2.242 1.00 0.00 C ATOM 0 H PHE A 71 -5.436 4.498 2.104 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.479 2.006 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.515 2.744 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.412 2.783 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.955 1.029 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.774 0.312 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.389 -1.382 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.205 -2.099 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.514 -2.951 2.329 1.00 0.00 H new ATOM 997 N ASP A 72 -5.957 3.370 -1.070 1.00 0.00 N ATOM 998 CA ASP A 72 -6.186 3.237 -2.504 1.00 0.00 C ATOM 999 C ASP A 72 -4.903 2.834 -3.224 1.00 0.00 C ATOM 1000 O ASP A 72 -4.871 1.834 -3.942 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.716 4.551 -3.081 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.892 4.493 -4.586 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -6.725 5.542 -5.244 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -7.196 3.399 -5.106 1.00 0.00 O ATOM 0 H ASP A 72 -6.197 4.284 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.929 2.455 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.672 4.790 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.029 5.359 -2.829 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.848 3.617 -3.027 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.563 3.341 -3.659 1.00 0.00 C ATOM 1010 C GLU A 73 -2.054 1.954 -3.275 1.00 0.00 C ATOM 1011 O GLU A 73 -1.581 1.198 -4.123 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.534 4.402 -3.260 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.207 5.381 -4.375 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.037 6.648 -4.301 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -1.791 7.466 -3.389 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.930 6.823 -5.154 1.00 0.00 O ATOM 0 H GLU A 73 -3.857 4.448 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.705 3.371 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.910 4.956 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.617 3.906 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.149 5.641 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.373 4.898 -5.338 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.155 1.628 -1.991 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.705 0.334 -1.493 1.00 0.00 C ATOM 1023 C PHE A 74 -2.334 -0.804 -2.291 1.00 0.00 C ATOM 1024 O PHE A 74 -1.636 -1.688 -2.788 1.00 0.00 O ATOM 1025 CB PHE A 74 -2.051 0.185 -0.010 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.796 -1.192 0.530 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.700 -2.218 0.307 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.650 -1.462 1.262 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.468 -3.487 0.802 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.412 -2.730 1.759 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.323 -3.743 1.531 1.00 0.00 C ATOM 0 H PHE A 74 -2.545 2.242 -1.276 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.623 0.283 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.469 0.905 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.102 0.435 0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.598 -2.023 -0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.065 -0.673 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.181 -4.278 0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.486 -2.928 2.325 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.140 -4.733 1.922 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.658 -0.776 -2.407 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.382 -1.805 -3.143 1.00 0.00 C ATOM 1042 C ILE A 75 -3.897 -1.891 -4.587 1.00 0.00 C ATOM 1043 O ILE A 75 -3.486 -2.953 -5.053 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.899 -1.539 -3.138 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.441 -1.577 -1.708 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.618 -2.557 -4.011 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.353 -2.944 -1.065 1.00 0.00 C ATOM 0 H ILE A 75 -4.251 -0.052 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.186 -2.751 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.080 -0.546 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.888 -0.862 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.482 -1.253 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.689 -2.356 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.248 -2.485 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.432 -3.560 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.755 -2.897 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.930 -3.660 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.311 -3.262 -1.027 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.947 -0.764 -5.290 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.511 -0.710 -6.680 1.00 0.00 C ATOM 1060 C LYS A 76 -2.096 -1.262 -6.828 1.00 0.00 C ATOM 1061 O LYS A 76 -1.750 -1.840 -7.859 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.565 0.729 -7.198 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.560 0.831 -8.713 1.00 0.00 C ATOM 1064 CD LYS A 76 -3.130 2.213 -9.177 1.00 0.00 C ATOM 1065 CE LYS A 76 -4.310 3.169 -9.252 1.00 0.00 C ATOM 1066 NZ LYS A 76 -3.870 4.584 -9.399 1.00 0.00 N ATOM 0 H LYS A 76 -4.285 0.124 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.187 -1.328 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.463 1.211 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.712 1.281 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.886 0.081 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.556 0.611 -9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.381 2.611 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.658 2.138 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.945 2.897 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.916 3.069 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.704 5.204 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.285 4.852 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.313 4.686 -10.271 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.284 -1.081 -5.793 1.00 0.00 N ATOM 1077 CA ILE A 77 0.091 -1.564 -5.807 1.00 0.00 C ATOM 1078 C ILE A 77 0.147 -3.074 -5.607 1.00 0.00 C ATOM 1079 O ILE A 77 0.948 -3.765 -6.236 1.00 0.00 O ATOM 1080 CB ILE A 77 0.939 -0.882 -4.717 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.099 0.608 -5.022 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.298 -1.555 -4.604 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.275 1.464 -3.787 1.00 0.00 C ATOM 0 H ILE A 77 -1.554 -0.603 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 77 0.502 -1.314 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 77 0.425 -0.984 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.961 0.746 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.224 0.954 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.885 -1.061 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.164 -2.605 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.821 -1.482 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.382 2.508 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.403 1.356 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.167 1.145 -3.247 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.713 -3.581 -4.730 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.763 -5.011 -4.448 1.00 0.00 C ATOM 1096 C PHE A 78 -1.237 -5.790 -5.671 1.00 0.00 C ATOM 1097 O PHE A 78 -0.795 -6.914 -5.915 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.690 -5.287 -3.263 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.882 -6.749 -2.978 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.815 -7.536 -2.576 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -3.130 -7.337 -3.114 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.988 -8.881 -2.312 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -3.308 -8.683 -2.853 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.236 -9.456 -2.452 1.00 0.00 C ATOM 0 H PHE A 78 -1.385 -3.023 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 78 0.245 -5.342 -4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.285 -4.802 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.661 -4.833 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.164 -7.093 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.972 -6.737 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.148 -9.482 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.285 -9.130 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.373 -10.508 -2.248 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.140 -5.187 -6.436 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.676 -5.823 -7.635 1.00 0.00 C ATOM 1115 C HIS A 79 -1.751 -5.600 -8.827 1.00 0.00 C ATOM 1116 O HIS A 79 -1.613 -6.466 -9.690 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.070 -5.279 -7.948 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.110 -6.347 -8.095 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.487 -6.865 -9.316 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.851 -6.997 -7.167 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.418 -7.786 -9.132 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.656 -7.885 -7.837 1.00 0.00 N ATOM 0 H HIS A 79 -2.517 -4.258 -6.248 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.747 -6.894 -7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.372 -4.596 -7.154 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.026 -4.697 -8.869 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.107 -6.582 -10.219 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.816 -6.845 -6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.901 -8.360 -9.909 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.119 -4.431 -8.870 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.217 -4.114 -9.962 1.00 0.00 C ATOM 1131 C GLY A 80 -0.953 -3.735 -11.231 1.00 0.00 C ATOM 1132 O GLY A 80 -0.793 -2.626 -11.743 1.00 0.00 O ATOM 0 H GLY A 80 -1.216 -3.698 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.434 -3.292 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.424 -4.973 -10.160 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.760 -4.657 -11.743 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.522 -4.414 -12.962 1.00 0.00 C ATOM 1138 C LEU A 81 -3.991 -4.778 -12.767 1.00 0.00 C ATOM 1139 O LEU A 81 -4.316 -5.890 -12.349 1.00 0.00 O ATOM 1140 CB LEU A 81 -1.935 -5.219 -14.123 1.00 0.00 C ATOM 1141 CG LEU A 81 -0.425 -5.098 -14.328 1.00 0.00 C ATOM 1142 CD1 LEU A 81 0.291 -6.301 -13.733 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -0.097 -4.957 -15.806 1.00 0.00 C ATOM 0 H LEU A 81 -1.904 -5.580 -11.333 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.458 -3.351 -13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.177 -6.270 -13.969 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.432 -4.909 -15.042 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.078 -4.202 -13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.365 -6.198 -13.888 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.082 -6.357 -12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.060 -7.211 -14.220 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.982 -4.872 -15.933 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.458 -5.834 -16.344 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.580 -4.064 -16.202 1.00 0.00 H new ATOM 1154 N LYS A 82 -4.875 -3.835 -13.075 1.00 0.00 N ATOM 1155 CA LYS A 82 -6.310 -4.056 -12.938 1.00 0.00 C ATOM 1156 C LYS A 82 -6.761 -5.243 -13.784 1.00 0.00 C ATOM 1157 O LYS A 82 -6.176 -5.531 -14.829 1.00 0.00 O ATOM 1158 CB LYS A 82 -7.081 -2.800 -13.350 1.00 0.00 C ATOM 1159 CG LYS A 82 -6.751 -2.316 -14.751 1.00 0.00 C ATOM 1160 CD LYS A 82 -7.141 -0.860 -14.943 1.00 0.00 C ATOM 1161 CE LYS A 82 -6.875 -0.395 -16.366 1.00 0.00 C ATOM 1162 NZ LYS A 82 -7.143 1.061 -16.534 1.00 0.00 N ATOM 0 H LYS A 82 -4.623 -2.909 -13.422 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.520 -4.278 -11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.150 -3.003 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.866 -2.002 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.684 -2.435 -14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.273 -2.933 -15.483 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.198 -0.731 -14.709 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.581 -0.237 -14.245 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.839 -0.606 -16.629 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.501 -0.961 -17.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.950 1.338 -17.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.139 1.259 -16.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.528 1.603 -15.894 1.00 0.00 H new TER 1172 LYS A 82