USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 863 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 58 ASN : amide:sc= -1.31 X(o=-1.4,f=-1.2) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.121 X(o=-1.4,f=-1.7) USER MOD Set 2.1: A 28 THR OG1 : rot 150:sc= -0.519 USER MOD Set 2.2: A 31 SER OG : rot -45:sc= -0.205! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.223 USER MOD Single : A 6 SER OG : rot 40:sc= 0.13 USER MOD Single : A 9 SER OG : rot 44:sc= 0.958 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -148:sc= 0 (180deg=-0.0048) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 170:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.7 X(o=-1.7,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.16 (180deg=-0.492) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.429 K(o=0.43,f=-2) USER MOD Single : A 51 TYR OH : rot 80:sc= -1.99 USER MOD Single : A 52 GLN : amide:sc= -4.17! C(o=-4.2!,f=-5.3!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -1.2 USER MOD Single : A 62 SER OG : rot -160:sc= -0.129 USER MOD Single : A 63 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.73) USER MOD Single : A 65 GLN : amide:sc= -0.472 K(o=-0.47,f=-2.4!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -178:sc= -1.43 (180deg=-1.45) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00463 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 165:sc= -0.265 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00973 X(o=-0.0097,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.438) USER MOD Single : A 91 TYR OH : rot 0:sc= -1.72 USER MOD Single : A 96 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 99 ASN : amide:sc= -4.36! C(o=-4.4!,f=-16!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 130:sc= -0.755 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0986 USER MOD Single : A 111 ASN : amide:sc= -0.0598 K(o=-0.06,f=-0.6) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -122:sc= 0.632 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.341 10.442 16.424 1.00 0.00 N ATOM 2 CA GLY A 1 14.774 10.376 16.192 1.00 0.00 C ATOM 3 C GLY A 1 15.398 9.204 16.952 1.00 0.00 C ATOM 4 O GLY A 1 15.710 9.323 18.136 1.00 0.00 O ATOM 0 H1 GLY A 1 12.941 11.245 15.898 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.896 9.560 16.100 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.159 10.569 17.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.969 10.267 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.241 11.309 16.508 1.00 0.00 H new ATOM 8 N SER A 2 15.562 8.098 16.240 1.00 0.00 N ATOM 9 CA SER A 2 16.144 6.906 16.832 1.00 0.00 C ATOM 10 C SER A 2 17.283 6.387 15.953 1.00 0.00 C ATOM 11 O SER A 2 18.417 6.261 16.410 1.00 0.00 O ATOM 12 CB SER A 2 15.087 5.817 17.030 1.00 0.00 C ATOM 13 OG SER A 2 14.722 5.669 18.399 1.00 0.00 O ATOM 0 H SER A 2 15.302 8.003 15.258 1.00 0.00 H new ATOM 0 HA SER A 2 16.542 7.170 17.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.201 6.061 16.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.469 4.869 16.652 1.00 0.00 H new ATOM 0 HG SER A 2 14.044 4.966 18.483 1.00 0.00 H new ATOM 19 N SER A 3 16.940 6.099 14.705 1.00 0.00 N ATOM 20 CA SER A 3 17.920 5.597 13.757 1.00 0.00 C ATOM 21 C SER A 3 18.117 6.605 12.624 1.00 0.00 C ATOM 22 O SER A 3 17.148 7.164 12.111 1.00 0.00 O ATOM 23 CB SER A 3 17.495 4.240 13.193 1.00 0.00 C ATOM 24 OG SER A 3 18.280 3.860 12.066 1.00 0.00 O ATOM 0 H SER A 3 15.998 6.204 14.329 1.00 0.00 H new ATOM 0 HA SER A 3 18.866 5.462 14.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.585 3.481 13.970 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.444 4.280 12.906 1.00 0.00 H new ATOM 0 HG SER A 3 17.979 2.988 11.737 1.00 0.00 H new ATOM 30 N GLY A 4 19.376 6.807 12.266 1.00 0.00 N ATOM 31 CA GLY A 4 19.712 7.739 11.203 1.00 0.00 C ATOM 32 C GLY A 4 19.630 7.061 9.834 1.00 0.00 C ATOM 33 O GLY A 4 18.682 6.327 9.556 1.00 0.00 O ATOM 0 H GLY A 4 20.176 6.341 12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.032 8.590 11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.718 8.129 11.360 1.00 0.00 H new ATOM 37 N SER A 5 20.636 7.330 9.014 1.00 0.00 N ATOM 38 CA SER A 5 20.690 6.754 7.681 1.00 0.00 C ATOM 39 C SER A 5 22.086 6.943 7.086 1.00 0.00 C ATOM 40 O SER A 5 22.582 8.065 6.999 1.00 0.00 O ATOM 41 CB SER A 5 19.634 7.382 6.768 1.00 0.00 C ATOM 42 OG SER A 5 19.806 8.791 6.642 1.00 0.00 O ATOM 0 H SER A 5 21.420 7.939 9.247 1.00 0.00 H new ATOM 0 HA SER A 5 20.477 5.688 7.759 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.687 6.921 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.641 7.172 7.165 1.00 0.00 H new ATOM 0 HG SER A 5 20.760 9.009 6.686 1.00 0.00 H new ATOM 48 N SER A 6 22.681 5.827 6.691 1.00 0.00 N ATOM 49 CA SER A 6 24.011 5.855 6.106 1.00 0.00 C ATOM 50 C SER A 6 24.127 4.786 5.018 1.00 0.00 C ATOM 51 O SER A 6 24.018 3.593 5.300 1.00 0.00 O ATOM 52 CB SER A 6 25.087 5.644 7.173 1.00 0.00 C ATOM 53 OG SER A 6 24.803 4.521 8.003 1.00 0.00 O ATOM 0 H SER A 6 22.267 4.898 6.765 1.00 0.00 H new ATOM 0 HA SER A 6 24.167 6.837 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.054 5.502 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.167 6.539 7.789 1.00 0.00 H new ATOM 0 HG SER A 6 24.441 3.793 7.456 1.00 0.00 H new ATOM 59 N GLY A 7 24.347 5.251 3.796 1.00 0.00 N ATOM 60 CA GLY A 7 24.478 4.349 2.665 1.00 0.00 C ATOM 61 C GLY A 7 24.719 5.127 1.369 1.00 0.00 C ATOM 62 O GLY A 7 23.872 5.130 0.476 1.00 0.00 O ATOM 0 H GLY A 7 24.438 6.240 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.304 3.660 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.575 3.746 2.569 1.00 0.00 H new ATOM 66 N ILE A 8 25.877 5.768 1.308 1.00 0.00 N ATOM 67 CA ILE A 8 26.239 6.548 0.136 1.00 0.00 C ATOM 68 C ILE A 8 25.015 7.326 -0.352 1.00 0.00 C ATOM 69 O ILE A 8 24.494 7.056 -1.433 1.00 0.00 O ATOM 70 CB ILE A 8 26.863 5.650 -0.933 1.00 0.00 C ATOM 71 CG1 ILE A 8 28.193 5.067 -0.451 1.00 0.00 C ATOM 72 CG2 ILE A 8 27.013 6.398 -2.259 1.00 0.00 C ATOM 73 CD1 ILE A 8 28.644 3.913 -1.349 1.00 0.00 C ATOM 0 H ILE A 8 26.576 5.763 2.050 1.00 0.00 H new ATOM 0 HA ILE A 8 27.004 7.282 0.389 1.00 0.00 H new ATOM 0 HB ILE A 8 26.189 4.812 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 8 28.955 5.847 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 8 28.089 4.715 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 8 27.459 5.736 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 8 26.032 6.724 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 8 27.655 7.267 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 8 29.592 3.517 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 8 27.891 3.125 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 8 28.771 4.274 -2.370 1.00 0.00 H new ATOM 85 N SER A 9 24.592 8.276 0.469 1.00 0.00 N ATOM 86 CA SER A 9 23.439 9.095 0.134 1.00 0.00 C ATOM 87 C SER A 9 23.216 10.152 1.218 1.00 0.00 C ATOM 88 O SER A 9 22.664 9.854 2.276 1.00 0.00 O ATOM 89 CB SER A 9 22.184 8.236 -0.036 1.00 0.00 C ATOM 90 OG SER A 9 21.819 7.579 1.174 1.00 0.00 O ATOM 0 H SER A 9 25.027 8.497 1.365 1.00 0.00 H new ATOM 0 HA SER A 9 23.637 9.593 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.358 8.863 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.356 7.493 -0.814 1.00 0.00 H new ATOM 0 HG SER A 9 21.896 8.206 1.923 1.00 0.00 H new ATOM 96 N THR A 10 23.656 11.365 0.916 1.00 0.00 N ATOM 97 CA THR A 10 23.511 12.468 1.851 1.00 0.00 C ATOM 98 C THR A 10 22.154 13.151 1.663 1.00 0.00 C ATOM 99 O THR A 10 21.911 14.219 2.222 1.00 0.00 O ATOM 100 CB THR A 10 24.699 13.412 1.656 1.00 0.00 C ATOM 101 OG1 THR A 10 25.682 12.923 2.564 1.00 0.00 O ATOM 102 CG2 THR A 10 24.407 14.830 2.151 1.00 0.00 C ATOM 0 H THR A 10 24.113 11.608 0.037 1.00 0.00 H new ATOM 0 HA THR A 10 23.523 12.117 2.883 1.00 0.00 H new ATOM 0 HB THR A 10 24.968 13.444 0.600 1.00 0.00 H new ATOM 0 HG1 THR A 10 26.488 13.477 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.282 15.459 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 10 23.559 15.240 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.171 14.803 3.215 1.00 0.00 H new ATOM 110 N GLU A 11 21.307 12.506 0.875 1.00 0.00 N ATOM 111 CA GLU A 11 19.982 13.038 0.607 1.00 0.00 C ATOM 112 C GLU A 11 19.205 12.091 -0.310 1.00 0.00 C ATOM 113 O GLU A 11 19.683 11.728 -1.383 1.00 0.00 O ATOM 114 CB GLU A 11 20.066 14.441 0.001 1.00 0.00 C ATOM 115 CG GLU A 11 20.180 14.373 -1.523 1.00 0.00 C ATOM 116 CD GLU A 11 20.196 15.776 -2.135 1.00 0.00 C ATOM 117 OE1 GLU A 11 21.152 16.519 -1.825 1.00 0.00 O ATOM 118 OE2 GLU A 11 19.252 16.073 -2.898 1.00 0.00 O ATOM 0 H GLU A 11 21.512 11.620 0.413 1.00 0.00 H new ATOM 0 HA GLU A 11 19.446 13.118 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.181 15.014 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.928 14.967 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.090 13.841 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.343 13.805 -1.929 1.00 0.00 H new ATOM 125 N GLU A 12 18.019 11.717 0.148 1.00 0.00 N ATOM 126 CA GLU A 12 17.171 10.819 -0.617 1.00 0.00 C ATOM 127 C GLU A 12 16.310 11.612 -1.602 1.00 0.00 C ATOM 128 O GLU A 12 16.340 12.842 -1.608 1.00 0.00 O ATOM 129 CB GLU A 12 16.301 9.965 0.308 1.00 0.00 C ATOM 130 CG GLU A 12 17.079 8.755 0.830 1.00 0.00 C ATOM 131 CD GLU A 12 16.536 8.298 2.185 1.00 0.00 C ATOM 132 OE1 GLU A 12 15.335 7.954 2.229 1.00 0.00 O ATOM 133 OE2 GLU A 12 17.335 8.302 3.147 1.00 0.00 O ATOM 0 H GLU A 12 17.626 12.020 1.039 1.00 0.00 H new ATOM 0 HA GLU A 12 17.810 10.144 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.955 10.569 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.415 9.628 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.011 7.937 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.135 9.010 0.924 1.00 0.00 H new ATOM 140 N ALA A 13 15.562 10.876 -2.411 1.00 0.00 N ATOM 141 CA ALA A 13 14.694 11.495 -3.398 1.00 0.00 C ATOM 142 C ALA A 13 13.420 10.661 -3.546 1.00 0.00 C ATOM 143 O ALA A 13 13.465 9.434 -3.468 1.00 0.00 O ATOM 144 CB ALA A 13 15.449 11.646 -4.720 1.00 0.00 C ATOM 0 H ALA A 13 15.539 9.856 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 13 14.399 12.493 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.797 12.110 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 13 16.328 12.272 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.760 10.664 -5.076 1.00 0.00 H new ATOM 150 N ALA A 14 12.314 11.359 -3.757 1.00 0.00 N ATOM 151 CA ALA A 14 11.030 10.698 -3.916 1.00 0.00 C ATOM 152 C ALA A 14 11.132 9.659 -5.035 1.00 0.00 C ATOM 153 O ALA A 14 11.925 9.816 -5.962 1.00 0.00 O ATOM 154 CB ALA A 14 9.947 11.744 -4.188 1.00 0.00 C ATOM 0 H ALA A 14 12.281 12.376 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 14 10.753 10.173 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.984 11.248 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.895 12.440 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.189 12.290 -5.100 1.00 0.00 H new ATOM 160 N PRO A 15 10.296 8.594 -4.908 1.00 0.00 N ATOM 161 CA PRO A 15 10.285 7.530 -5.897 1.00 0.00 C ATOM 162 C PRO A 15 9.575 7.978 -7.177 1.00 0.00 C ATOM 163 O PRO A 15 8.541 8.642 -7.117 1.00 0.00 O ATOM 164 CB PRO A 15 9.592 6.363 -5.212 1.00 0.00 C ATOM 165 CG PRO A 15 8.832 6.960 -4.039 1.00 0.00 C ATOM 166 CD PRO A 15 9.344 8.375 -3.823 1.00 0.00 C ATOM 0 HA PRO A 15 11.287 7.247 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.915 5.854 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.317 5.623 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.761 6.968 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.981 6.359 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.531 9.100 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.823 8.479 -2.849 1.00 0.00 H new ATOM 174 N ASP A 16 10.158 7.597 -8.304 1.00 0.00 N ATOM 175 CA ASP A 16 9.595 7.951 -9.595 1.00 0.00 C ATOM 176 C ASP A 16 8.932 6.718 -10.213 1.00 0.00 C ATOM 177 O ASP A 16 8.784 6.634 -11.431 1.00 0.00 O ATOM 178 CB ASP A 16 10.682 8.436 -10.556 1.00 0.00 C ATOM 179 CG ASP A 16 10.621 9.924 -10.904 1.00 0.00 C ATOM 180 OD1 ASP A 16 10.063 10.678 -10.077 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.133 10.275 -11.989 1.00 0.00 O ATOM 0 H ASP A 16 11.015 7.046 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 16 8.870 8.750 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.656 8.221 -10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.614 7.860 -11.479 1.00 0.00 H new ATOM 186 N GLY A 17 8.552 5.792 -9.345 1.00 0.00 N ATOM 187 CA GLY A 17 7.909 4.568 -9.791 1.00 0.00 C ATOM 188 C GLY A 17 7.260 3.831 -8.617 1.00 0.00 C ATOM 189 O GLY A 17 7.771 3.865 -7.499 1.00 0.00 O ATOM 0 H GLY A 17 8.677 5.865 -8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.153 4.802 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.644 3.921 -10.270 1.00 0.00 H new ATOM 193 N PRO A 18 6.114 3.165 -8.920 1.00 0.00 N ATOM 194 CA PRO A 18 5.389 2.421 -7.904 1.00 0.00 C ATOM 195 C PRO A 18 6.104 1.110 -7.570 1.00 0.00 C ATOM 196 O PRO A 18 7.083 0.750 -8.221 1.00 0.00 O ATOM 197 CB PRO A 18 4.001 2.210 -8.485 1.00 0.00 C ATOM 198 CG PRO A 18 4.138 2.433 -9.983 1.00 0.00 C ATOM 199 CD PRO A 18 5.479 3.103 -10.234 1.00 0.00 C ATOM 0 HA PRO A 18 5.331 2.953 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.637 1.205 -8.271 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.285 2.908 -8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.079 1.485 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.324 3.057 -10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.082 2.530 -10.939 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.351 4.098 -10.659 1.00 0.00 H new ATOM 207 N PRO A 19 5.572 0.414 -6.530 1.00 0.00 N ATOM 208 CA PRO A 19 6.148 -0.849 -6.103 1.00 0.00 C ATOM 209 C PRO A 19 5.794 -1.972 -7.080 1.00 0.00 C ATOM 210 O PRO A 19 4.859 -1.841 -7.869 1.00 0.00 O ATOM 211 CB PRO A 19 5.595 -1.081 -4.706 1.00 0.00 C ATOM 212 CG PRO A 19 4.375 -0.183 -4.586 1.00 0.00 C ATOM 213 CD PRO A 19 4.412 0.810 -5.736 1.00 0.00 C ATOM 0 HA PRO A 19 7.238 -0.830 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.326 -2.127 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.337 -0.835 -3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.460 -0.775 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.379 0.340 -3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.496 0.768 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.511 1.833 -5.373 1.00 0.00 H new ATOM 221 N MET A 20 6.559 -3.051 -6.995 1.00 0.00 N ATOM 222 CA MET A 20 6.337 -4.195 -7.862 1.00 0.00 C ATOM 223 C MET A 20 5.642 -5.330 -7.105 1.00 0.00 C ATOM 224 O MET A 20 5.374 -5.211 -5.911 1.00 0.00 O ATOM 225 CB MET A 20 7.678 -4.691 -8.406 1.00 0.00 C ATOM 226 CG MET A 20 8.455 -3.552 -9.069 1.00 0.00 C ATOM 227 SD MET A 20 9.894 -4.200 -9.905 1.00 0.00 S ATOM 228 CE MET A 20 9.158 -4.682 -11.458 1.00 0.00 C ATOM 0 H MET A 20 7.333 -3.157 -6.339 1.00 0.00 H new ATOM 0 HA MET A 20 5.693 -3.884 -8.685 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.269 -5.115 -7.595 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.509 -5.489 -9.128 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.815 -3.030 -9.781 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.758 -2.822 -8.318 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.679 -5.554 -11.852 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.107 -4.927 -11.302 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.237 -3.860 -12.169 1.00 0.00 H new ATOM 238 N ASP A 21 5.370 -6.403 -7.832 1.00 0.00 N ATOM 239 CA ASP A 21 4.712 -7.558 -7.245 1.00 0.00 C ATOM 240 C ASP A 21 3.491 -7.093 -6.449 1.00 0.00 C ATOM 241 O ASP A 21 3.117 -7.718 -5.458 1.00 0.00 O ATOM 242 CB ASP A 21 5.648 -8.297 -6.286 1.00 0.00 C ATOM 243 CG ASP A 21 5.049 -9.543 -5.631 1.00 0.00 C ATOM 244 OD1 ASP A 21 3.994 -9.993 -6.126 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.660 -10.017 -4.649 1.00 0.00 O ATOM 0 H ASP A 21 5.593 -6.497 -8.823 1.00 0.00 H new ATOM 0 HA ASP A 21 4.422 -8.229 -8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.546 -8.587 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.960 -7.607 -5.502 1.00 0.00 H new ATOM 250 N VAL A 22 2.902 -6.000 -6.914 1.00 0.00 N ATOM 251 CA VAL A 22 1.731 -5.445 -6.258 1.00 0.00 C ATOM 252 C VAL A 22 0.505 -6.289 -6.612 1.00 0.00 C ATOM 253 O VAL A 22 0.050 -6.279 -7.755 1.00 0.00 O ATOM 254 CB VAL A 22 1.571 -3.970 -6.634 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.458 -3.314 -5.814 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.892 -3.216 -6.468 1.00 0.00 C ATOM 0 H VAL A 22 3.214 -5.485 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 22 1.847 -5.480 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 22 1.287 -3.920 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.364 -2.266 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.485 -3.827 -6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.700 -3.380 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.751 -2.170 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.219 -3.279 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.649 -3.661 -7.114 1.00 0.00 H new ATOM 266 N THR A 23 0.005 -6.998 -5.611 1.00 0.00 N ATOM 267 CA THR A 23 -1.159 -7.846 -5.803 1.00 0.00 C ATOM 268 C THR A 23 -1.900 -8.042 -4.479 1.00 0.00 C ATOM 269 O THR A 23 -1.321 -7.867 -3.408 1.00 0.00 O ATOM 270 CB THR A 23 -0.690 -9.157 -6.437 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.864 -9.688 -7.045 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.304 -10.207 -5.393 1.00 0.00 C ATOM 0 H THR A 23 0.385 -7.003 -4.664 1.00 0.00 H new ATOM 0 HA THR A 23 -1.879 -7.382 -6.477 1.00 0.00 H new ATOM 0 HB THR A 23 0.163 -8.961 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.650 -10.539 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.021 -11.118 -5.896 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.508 -9.824 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.166 -10.428 -4.764 1.00 0.00 H new ATOM 280 N LEU A 24 -3.170 -8.403 -4.596 1.00 0.00 N ATOM 281 CA LEU A 24 -3.996 -8.625 -3.421 1.00 0.00 C ATOM 282 C LEU A 24 -4.235 -10.126 -3.247 1.00 0.00 C ATOM 283 O LEU A 24 -4.083 -10.896 -4.194 1.00 0.00 O ATOM 284 CB LEU A 24 -5.283 -7.803 -3.509 1.00 0.00 C ATOM 285 CG LEU A 24 -5.105 -6.298 -3.725 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.452 -5.617 -3.975 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.349 -5.662 -2.557 1.00 0.00 C ATOM 0 H LEU A 24 -3.647 -8.547 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.484 -8.278 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.888 -8.198 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.850 -7.953 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.499 -6.151 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.297 -4.549 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.917 -6.045 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.103 -5.772 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.236 -4.593 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.907 -5.819 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.364 -6.121 -2.468 1.00 0.00 H new ATOM 299 N GLN A 25 -4.606 -10.496 -2.031 1.00 0.00 N ATOM 300 CA GLN A 25 -4.868 -11.891 -1.721 1.00 0.00 C ATOM 301 C GLN A 25 -5.749 -12.002 -0.474 1.00 0.00 C ATOM 302 O GLN A 25 -5.355 -11.571 0.608 1.00 0.00 O ATOM 303 CB GLN A 25 -3.562 -12.668 -1.540 1.00 0.00 C ATOM 304 CG GLN A 25 -3.754 -14.149 -1.873 1.00 0.00 C ATOM 305 CD GLN A 25 -2.406 -14.862 -1.998 1.00 0.00 C ATOM 306 OE1 GLN A 25 -1.782 -14.886 -3.046 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.993 -15.438 -0.872 1.00 0.00 N ATOM 0 H GLN A 25 -4.732 -9.854 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.403 -12.335 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.791 -12.244 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.213 -12.565 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.351 -14.626 -1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.309 -14.247 -2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.565 -15.379 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.104 -15.938 -0.851 1.00 0.00 H new ATOM 316 N PRO A 26 -6.955 -12.597 -0.674 1.00 0.00 N ATOM 317 CA PRO A 26 -7.894 -12.770 0.421 1.00 0.00 C ATOM 318 C PRO A 26 -7.451 -13.901 1.351 1.00 0.00 C ATOM 319 O PRO A 26 -7.359 -15.054 0.932 1.00 0.00 O ATOM 320 CB PRO A 26 -9.232 -13.041 -0.247 1.00 0.00 C ATOM 321 CG PRO A 26 -8.909 -13.470 -1.669 1.00 0.00 C ATOM 322 CD PRO A 26 -7.455 -13.120 -1.942 1.00 0.00 C ATOM 0 HA PRO A 26 -7.955 -11.892 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.781 -13.821 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.859 -12.150 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.074 -14.541 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.563 -12.964 -2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.890 -13.996 -2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.369 -12.380 -2.737 1.00 0.00 H new ATOM 330 N VAL A 27 -7.188 -13.532 2.596 1.00 0.00 N ATOM 331 CA VAL A 27 -6.757 -14.502 3.589 1.00 0.00 C ATOM 332 C VAL A 27 -7.932 -14.843 4.507 1.00 0.00 C ATOM 333 O VAL A 27 -8.080 -15.988 4.932 1.00 0.00 O ATOM 334 CB VAL A 27 -5.541 -13.968 4.348 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.265 -14.122 3.518 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.751 -12.510 4.764 1.00 0.00 C ATOM 0 H VAL A 27 -7.265 -12.575 2.940 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.442 -15.428 3.107 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.425 -14.562 5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.416 -13.735 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.102 -15.176 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.367 -13.565 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.872 -12.155 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.905 -11.897 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.625 -12.439 5.411 1.00 0.00 H new ATOM 346 N THR A 28 -8.738 -13.829 4.785 1.00 0.00 N ATOM 347 CA THR A 28 -9.896 -14.008 5.644 1.00 0.00 C ATOM 348 C THR A 28 -11.178 -13.631 4.898 1.00 0.00 C ATOM 349 O THR A 28 -11.294 -13.870 3.697 1.00 0.00 O ATOM 350 CB THR A 28 -9.671 -13.189 6.917 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.921 -11.845 6.514 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.205 -13.180 7.355 1.00 0.00 C ATOM 0 H THR A 28 -8.612 -12.881 4.431 1.00 0.00 H new ATOM 0 HA THR A 28 -10.019 -15.053 5.929 1.00 0.00 H new ATOM 0 HB THR A 28 -10.288 -13.591 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.269 -11.335 7.275 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.100 -12.585 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.877 -14.201 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.592 -12.747 6.565 1.00 0.00 H new ATOM 360 N SER A 29 -12.107 -13.047 5.641 1.00 0.00 N ATOM 361 CA SER A 29 -13.375 -12.634 5.065 1.00 0.00 C ATOM 362 C SER A 29 -13.429 -11.109 4.957 1.00 0.00 C ATOM 363 O SER A 29 -13.800 -10.569 3.916 1.00 0.00 O ATOM 364 CB SER A 29 -14.551 -13.150 5.896 1.00 0.00 C ATOM 365 OG SER A 29 -15.709 -13.381 5.098 1.00 0.00 O ATOM 0 H SER A 29 -12.007 -12.850 6.637 1.00 0.00 H new ATOM 0 HA SER A 29 -13.454 -13.065 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.264 -14.076 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.787 -12.427 6.677 1.00 0.00 H new ATOM 0 HG SER A 29 -16.382 -13.858 5.628 1.00 0.00 H new ATOM 371 N GLN A 30 -13.054 -10.457 6.048 1.00 0.00 N ATOM 372 CA GLN A 30 -13.056 -9.004 6.089 1.00 0.00 C ATOM 373 C GLN A 30 -11.622 -8.474 6.144 1.00 0.00 C ATOM 374 O GLN A 30 -11.329 -7.543 6.893 1.00 0.00 O ATOM 375 CB GLN A 30 -13.876 -8.490 7.273 1.00 0.00 C ATOM 376 CG GLN A 30 -15.345 -8.898 7.141 1.00 0.00 C ATOM 377 CD GLN A 30 -16.025 -8.950 8.510 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.866 -9.886 9.276 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.790 -7.895 8.775 1.00 0.00 N ATOM 0 H GLN A 30 -12.747 -10.908 6.910 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.525 -8.634 5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.467 -8.886 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.800 -7.404 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.867 -8.189 6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.413 -9.874 6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.880 -7.145 8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.287 -7.836 9.664 1.00 0.00 H new ATOM 388 N SER A 31 -10.766 -9.089 5.341 1.00 0.00 N ATOM 389 CA SER A 31 -9.370 -8.690 5.288 1.00 0.00 C ATOM 390 C SER A 31 -8.705 -9.272 4.039 1.00 0.00 C ATOM 391 O SER A 31 -9.116 -10.321 3.545 1.00 0.00 O ATOM 392 CB SER A 31 -8.621 -9.138 6.545 1.00 0.00 C ATOM 393 OG SER A 31 -9.471 -9.175 7.688 1.00 0.00 O ATOM 0 H SER A 31 -11.013 -9.861 4.722 1.00 0.00 H new ATOM 0 HA SER A 31 -9.328 -7.602 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.193 -10.127 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.790 -8.459 6.733 1.00 0.00 H new ATOM 0 HG SER A 31 -10.016 -8.361 7.717 1.00 0.00 H new ATOM 399 N ILE A 32 -7.690 -8.565 3.564 1.00 0.00 N ATOM 400 CA ILE A 32 -6.965 -8.999 2.381 1.00 0.00 C ATOM 401 C ILE A 32 -5.470 -8.748 2.585 1.00 0.00 C ATOM 402 O ILE A 32 -5.083 -7.824 3.299 1.00 0.00 O ATOM 403 CB ILE A 32 -7.536 -8.332 1.128 1.00 0.00 C ATOM 404 CG1 ILE A 32 -9.011 -8.693 0.938 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.698 -8.674 -0.105 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.624 -7.902 -0.219 1.00 0.00 C ATOM 0 H ILE A 32 -7.352 -7.695 3.976 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.091 -10.071 2.228 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.484 -7.252 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.106 -9.761 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.561 -8.486 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.125 -8.187 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.676 -8.325 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.695 -9.754 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.673 -8.177 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.550 -6.835 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.087 -8.130 -1.140 1.00 0.00 H new ATOM 418 N GLN A 33 -4.669 -9.586 1.944 1.00 0.00 N ATOM 419 CA GLN A 33 -3.225 -9.466 2.045 1.00 0.00 C ATOM 420 C GLN A 33 -2.662 -8.760 0.810 1.00 0.00 C ATOM 421 O GLN A 33 -2.934 -9.165 -0.319 1.00 0.00 O ATOM 422 CB GLN A 33 -2.573 -10.838 2.236 1.00 0.00 C ATOM 423 CG GLN A 33 -1.051 -10.712 2.337 1.00 0.00 C ATOM 424 CD GLN A 33 -0.506 -11.560 3.488 1.00 0.00 C ATOM 425 OE1 GLN A 33 -1.180 -11.827 4.470 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.748 -11.967 3.314 1.00 0.00 N ATOM 0 H GLN A 33 -4.993 -10.351 1.352 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.991 -8.863 2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.963 -11.308 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.833 -11.488 1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.593 -11.028 1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.778 -9.668 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.256 -11.708 2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.202 -12.538 4.026 1.00 0.00 H new ATOM 435 N VAL A 34 -1.889 -7.715 1.066 1.00 0.00 N ATOM 436 CA VAL A 34 -1.286 -6.948 -0.011 1.00 0.00 C ATOM 437 C VAL A 34 0.233 -7.133 0.026 1.00 0.00 C ATOM 438 O VAL A 34 0.892 -6.701 0.970 1.00 0.00 O ATOM 439 CB VAL A 34 -1.712 -5.482 0.089 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.079 -4.650 -1.028 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.237 -5.352 0.072 1.00 0.00 C ATOM 0 H VAL A 34 -1.666 -7.381 2.004 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.634 -7.309 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.353 -5.093 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.398 -3.612 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.007 -4.704 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.394 -5.040 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.513 -4.300 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.627 -5.767 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.658 -5.897 0.917 1.00 0.00 H new ATOM 451 N THR A 35 0.744 -7.776 -1.014 1.00 0.00 N ATOM 452 CA THR A 35 2.172 -8.023 -1.113 1.00 0.00 C ATOM 453 C THR A 35 2.763 -7.267 -2.305 1.00 0.00 C ATOM 454 O THR A 35 2.127 -7.158 -3.353 1.00 0.00 O ATOM 455 CB THR A 35 2.386 -9.536 -1.187 1.00 0.00 C ATOM 456 OG1 THR A 35 1.294 -10.003 -1.975 1.00 0.00 O ATOM 457 CG2 THR A 35 2.189 -10.222 0.167 1.00 0.00 C ATOM 0 H THR A 35 0.194 -8.133 -1.795 1.00 0.00 H new ATOM 0 HA THR A 35 2.700 -7.648 -0.236 1.00 0.00 H new ATOM 0 HB THR A 35 3.391 -9.743 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.355 -10.976 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.352 -11.294 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.900 -9.817 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.174 -10.044 0.521 1.00 0.00 H new ATOM 465 N TRP A 36 3.972 -6.764 -2.105 1.00 0.00 N ATOM 466 CA TRP A 36 4.655 -6.021 -3.151 1.00 0.00 C ATOM 467 C TRP A 36 6.159 -6.098 -2.879 1.00 0.00 C ATOM 468 O TRP A 36 6.577 -6.421 -1.768 1.00 0.00 O ATOM 469 CB TRP A 36 4.135 -4.585 -3.233 1.00 0.00 C ATOM 470 CG TRP A 36 4.536 -3.709 -2.044 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.696 -3.067 -1.847 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.726 -3.403 -0.889 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.693 -2.372 -0.654 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.457 -2.583 -0.053 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.420 -3.806 -0.562 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.966 -2.096 1.164 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.943 -3.310 0.658 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.666 -2.484 1.511 1.00 0.00 C ATOM 0 H TRP A 36 4.496 -6.856 -1.235 1.00 0.00 H new ATOM 0 HA TRP A 36 4.455 -6.458 -4.129 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.506 -4.127 -4.150 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.048 -4.607 -3.305 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.528 -3.090 -2.535 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.457 -1.808 -0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.831 -4.447 -1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.558 -1.456 1.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.943 -3.589 0.957 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.227 -2.143 2.437 1.00 0.00 H new ATOM 489 N LYS A 37 6.931 -5.795 -3.912 1.00 0.00 N ATOM 490 CA LYS A 37 8.379 -5.825 -3.799 1.00 0.00 C ATOM 491 C LYS A 37 8.930 -4.409 -3.977 1.00 0.00 C ATOM 492 O LYS A 37 8.200 -3.500 -4.368 1.00 0.00 O ATOM 493 CB LYS A 37 8.972 -6.843 -4.776 1.00 0.00 C ATOM 494 CG LYS A 37 8.688 -8.274 -4.315 1.00 0.00 C ATOM 495 CD LYS A 37 9.138 -9.289 -5.368 1.00 0.00 C ATOM 496 CE LYS A 37 9.903 -10.446 -4.723 1.00 0.00 C ATOM 497 NZ LYS A 37 11.231 -10.607 -5.358 1.00 0.00 N ATOM 0 H LYS A 37 6.581 -5.527 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 37 8.676 -6.161 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.552 -6.687 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.048 -6.690 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.205 -8.466 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.622 -8.393 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.269 -9.675 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.771 -8.796 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.024 -10.260 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.331 -11.369 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.737 -11.396 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.109 -10.806 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.780 -9.732 -5.240 1.00 0.00 H new ATOM 511 N ALA A 38 10.214 -4.267 -3.683 1.00 0.00 N ATOM 512 CA ALA A 38 10.872 -2.977 -3.806 1.00 0.00 C ATOM 513 C ALA A 38 10.667 -2.438 -5.223 1.00 0.00 C ATOM 514 O ALA A 38 10.770 -3.184 -6.196 1.00 0.00 O ATOM 515 CB ALA A 38 12.352 -3.122 -3.445 1.00 0.00 C ATOM 0 H ALA A 38 10.816 -5.024 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 38 10.437 -2.257 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.845 -2.155 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.443 -3.479 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.823 -3.836 -4.121 1.00 0.00 H new ATOM 521 N PRO A 39 10.372 -1.112 -5.297 1.00 0.00 N ATOM 522 CA PRO A 39 10.152 -0.465 -6.578 1.00 0.00 C ATOM 523 C PRO A 39 11.474 -0.247 -7.317 1.00 0.00 C ATOM 524 O PRO A 39 12.220 0.678 -7.002 1.00 0.00 O ATOM 525 CB PRO A 39 9.437 0.835 -6.245 1.00 0.00 C ATOM 526 CG PRO A 39 9.696 1.086 -4.769 1.00 0.00 C ATOM 527 CD PRO A 39 10.241 -0.198 -4.166 1.00 0.00 C ATOM 0 HA PRO A 39 9.553 -1.071 -7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.816 1.656 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.369 0.756 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.408 1.901 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.776 1.384 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.202 -0.030 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.566 -0.598 -3.410 1.00 0.00 H new ATOM 535 N LYS A 40 11.722 -1.115 -8.287 1.00 0.00 N ATOM 536 CA LYS A 40 12.941 -1.029 -9.073 1.00 0.00 C ATOM 537 C LYS A 40 14.136 -0.840 -8.136 1.00 0.00 C ATOM 538 O LYS A 40 13.998 -0.954 -6.919 1.00 0.00 O ATOM 539 CB LYS A 40 12.816 0.062 -10.138 1.00 0.00 C ATOM 540 CG LYS A 40 12.121 -0.472 -11.392 1.00 0.00 C ATOM 541 CD LYS A 40 10.642 -0.755 -11.121 1.00 0.00 C ATOM 542 CE LYS A 40 9.869 -0.929 -12.430 1.00 0.00 C ATOM 543 NZ LYS A 40 9.815 0.349 -13.174 1.00 0.00 N ATOM 0 H LYS A 40 11.100 -1.881 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 40 13.108 -1.958 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.252 0.904 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.806 0.436 -10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.214 0.253 -12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.615 -1.385 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.545 -1.656 -10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.211 0.064 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.347 -1.693 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.858 -1.277 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.113 0.277 -13.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.545 1.117 -12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.750 0.553 -13.582 1.00 0.00 H new ATOM 557 N LYS A 41 15.280 -0.554 -8.739 1.00 0.00 N ATOM 558 CA LYS A 41 16.498 -0.348 -7.973 1.00 0.00 C ATOM 559 C LYS A 41 16.989 1.086 -8.181 1.00 0.00 C ATOM 560 O LYS A 41 17.366 1.762 -7.224 1.00 0.00 O ATOM 561 CB LYS A 41 17.539 -1.412 -8.325 1.00 0.00 C ATOM 562 CG LYS A 41 18.936 -0.985 -7.867 1.00 0.00 C ATOM 563 CD LYS A 41 19.063 -1.071 -6.345 1.00 0.00 C ATOM 564 CE LYS A 41 20.461 -0.650 -5.888 1.00 0.00 C ATOM 565 NZ LYS A 41 21.365 -1.821 -5.835 1.00 0.00 N ATOM 0 H LYS A 41 15.390 -0.460 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 41 16.303 -0.467 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.271 -2.358 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.541 -1.582 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.687 -1.622 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.134 0.035 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.315 -0.431 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.860 -2.090 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.864 0.097 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.403 -0.183 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.309 -1.517 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.988 -2.521 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.434 -2.249 -6.780 1.00 0.00 H new ATOM 579 N GLU A 42 16.970 1.508 -9.436 1.00 0.00 N ATOM 580 CA GLU A 42 17.408 2.850 -9.782 1.00 0.00 C ATOM 581 C GLU A 42 16.339 3.874 -9.397 1.00 0.00 C ATOM 582 O GLU A 42 16.658 5.013 -9.060 1.00 0.00 O ATOM 583 CB GLU A 42 17.751 2.948 -11.269 1.00 0.00 C ATOM 584 CG GLU A 42 16.482 3.039 -12.120 1.00 0.00 C ATOM 585 CD GLU A 42 16.820 3.023 -13.612 1.00 0.00 C ATOM 586 OE1 GLU A 42 17.380 1.998 -14.057 1.00 0.00 O ATOM 587 OE2 GLU A 42 16.511 4.037 -14.274 1.00 0.00 O ATOM 0 H GLU A 42 16.658 0.944 -10.227 1.00 0.00 H new ATOM 0 HA GLU A 42 18.314 3.072 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.375 3.824 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.333 2.077 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.821 2.205 -11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.941 3.953 -11.876 1.00 0.00 H new ATOM 594 N LEU A 43 15.091 3.431 -9.459 1.00 0.00 N ATOM 595 CA LEU A 43 13.973 4.295 -9.121 1.00 0.00 C ATOM 596 C LEU A 43 13.905 4.463 -7.602 1.00 0.00 C ATOM 597 O LEU A 43 13.517 5.520 -7.107 1.00 0.00 O ATOM 598 CB LEU A 43 12.679 3.763 -9.739 1.00 0.00 C ATOM 599 CG LEU A 43 12.712 3.505 -11.247 1.00 0.00 C ATOM 600 CD1 LEU A 43 11.401 2.878 -11.726 1.00 0.00 C ATOM 601 CD2 LEU A 43 13.050 4.784 -12.015 1.00 0.00 C ATOM 0 H LEU A 43 14.830 2.485 -9.738 1.00 0.00 H new ATOM 0 HA LEU A 43 14.117 5.288 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.416 2.832 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.880 4.475 -9.530 1.00 0.00 H new ATOM 0 HG LEU A 43 13.506 2.787 -11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.452 2.705 -12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.243 1.929 -11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.573 3.552 -11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.067 4.573 -13.084 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.296 5.543 -11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.028 5.149 -11.702 1.00 0.00 H new ATOM 613 N GLN A 44 14.289 3.405 -6.904 1.00 0.00 N ATOM 614 CA GLN A 44 14.277 3.422 -5.451 1.00 0.00 C ATOM 615 C GLN A 44 14.726 4.789 -4.932 1.00 0.00 C ATOM 616 O GLN A 44 14.280 5.233 -3.876 1.00 0.00 O ATOM 617 CB GLN A 44 15.153 2.304 -4.882 1.00 0.00 C ATOM 618 CG GLN A 44 14.305 1.101 -4.463 1.00 0.00 C ATOM 619 CD GLN A 44 15.111 0.141 -3.586 1.00 0.00 C ATOM 620 OE1 GLN A 44 15.277 0.340 -2.394 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.601 -0.908 -4.241 1.00 0.00 N ATOM 0 H GLN A 44 14.611 2.530 -7.318 1.00 0.00 H new ATOM 0 HA GLN A 44 13.256 3.245 -5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.885 1.995 -5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.712 2.676 -4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.425 1.444 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.948 0.577 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.424 -1.014 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.154 -1.607 -3.744 1.00 0.00 H new ATOM 630 N ASN A 45 15.604 5.418 -5.700 1.00 0.00 N ATOM 631 CA ASN A 45 16.119 6.726 -5.331 1.00 0.00 C ATOM 632 C ASN A 45 16.404 6.752 -3.828 1.00 0.00 C ATOM 633 O ASN A 45 15.826 7.553 -3.096 1.00 0.00 O ATOM 634 CB ASN A 45 15.100 7.825 -5.637 1.00 0.00 C ATOM 635 CG ASN A 45 14.910 7.992 -7.146 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.725 7.571 -7.951 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.792 8.628 -7.484 1.00 0.00 N ATOM 0 H ASN A 45 15.972 5.046 -6.576 1.00 0.00 H new ATOM 0 HA ASN A 45 17.027 6.905 -5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.145 7.580 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.434 8.767 -5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.574 8.789 -8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.152 8.955 -6.760 1.00 0.00 H new ATOM 644 N GLY A 46 17.296 5.864 -3.412 1.00 0.00 N ATOM 645 CA GLY A 46 17.666 5.775 -2.010 1.00 0.00 C ATOM 646 C GLY A 46 16.725 4.834 -1.254 1.00 0.00 C ATOM 647 O GLY A 46 15.672 4.460 -1.767 1.00 0.00 O ATOM 0 H GLY A 46 17.773 5.200 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.692 5.417 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.635 6.766 -1.558 1.00 0.00 H new ATOM 651 N VAL A 47 17.140 4.479 -0.047 1.00 0.00 N ATOM 652 CA VAL A 47 16.348 3.589 0.785 1.00 0.00 C ATOM 653 C VAL A 47 14.919 4.128 0.885 1.00 0.00 C ATOM 654 O VAL A 47 14.658 5.274 0.522 1.00 0.00 O ATOM 655 CB VAL A 47 17.018 3.414 2.149 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.123 2.617 3.101 1.00 0.00 C ATOM 657 CG2 VAL A 47 18.390 2.754 2.005 1.00 0.00 C ATOM 0 H VAL A 47 18.014 4.792 0.375 1.00 0.00 H new ATOM 0 HA VAL A 47 16.290 2.597 0.337 1.00 0.00 H new ATOM 0 HB VAL A 47 17.166 4.404 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.623 2.507 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.179 3.144 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.929 1.631 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 47 18.845 2.641 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 47 18.275 1.773 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 47 19.029 3.377 1.379 1.00 0.00 H new ATOM 667 N ILE A 48 14.033 3.276 1.378 1.00 0.00 N ATOM 668 CA ILE A 48 12.638 3.653 1.530 1.00 0.00 C ATOM 669 C ILE A 48 12.268 3.635 3.015 1.00 0.00 C ATOM 670 O ILE A 48 12.649 2.720 3.742 1.00 0.00 O ATOM 671 CB ILE A 48 11.745 2.763 0.664 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.385 2.507 -0.702 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.339 3.354 0.536 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.307 3.754 -1.586 1.00 0.00 C ATOM 0 H ILE A 48 14.254 2.326 1.677 1.00 0.00 H new ATOM 0 HA ILE A 48 12.478 4.670 1.173 1.00 0.00 H new ATOM 0 HB ILE A 48 11.644 1.797 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.427 2.215 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.880 1.676 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.725 2.701 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.890 3.442 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.399 4.340 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.769 3.545 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.263 4.029 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.834 4.577 -1.102 1.00 0.00 H new ATOM 686 N ARG A 49 11.530 4.658 3.421 1.00 0.00 N ATOM 687 CA ARG A 49 11.105 4.772 4.805 1.00 0.00 C ATOM 688 C ARG A 49 9.837 3.948 5.041 1.00 0.00 C ATOM 689 O ARG A 49 9.629 3.420 6.132 1.00 0.00 O ATOM 690 CB ARG A 49 10.834 6.230 5.181 1.00 0.00 C ATOM 691 CG ARG A 49 12.131 7.042 5.199 1.00 0.00 C ATOM 692 CD ARG A 49 12.624 7.253 6.632 1.00 0.00 C ATOM 693 NE ARG A 49 14.042 7.679 6.620 1.00 0.00 N ATOM 694 CZ ARG A 49 14.866 7.573 7.671 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.420 7.055 8.824 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.137 7.986 7.570 1.00 0.00 N ATOM 0 H ARG A 49 11.216 5.416 2.815 1.00 0.00 H new ATOM 0 HA ARG A 49 11.912 4.391 5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.136 6.669 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.359 6.274 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.896 6.525 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.967 8.008 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.013 8.007 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.517 6.330 7.202 1.00 0.00 H new ATOM 0 HE ARG A 49 14.415 8.078 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.453 6.741 8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.048 6.975 9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.477 8.381 6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.765 7.905 8.370 1.00 0.00 H new ATOM 710 N GLY A 50 9.023 3.863 3.999 1.00 0.00 N ATOM 711 CA GLY A 50 7.782 3.112 4.078 1.00 0.00 C ATOM 712 C GLY A 50 6.915 3.353 2.841 1.00 0.00 C ATOM 713 O GLY A 50 7.290 4.120 1.955 1.00 0.00 O ATOM 0 H GLY A 50 9.199 4.302 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.002 2.048 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.233 3.403 4.973 1.00 0.00 H new ATOM 717 N TYR A 51 5.771 2.684 2.819 1.00 0.00 N ATOM 718 CA TYR A 51 4.848 2.816 1.705 1.00 0.00 C ATOM 719 C TYR A 51 3.423 3.070 2.201 1.00 0.00 C ATOM 720 O TYR A 51 3.123 2.859 3.375 1.00 0.00 O ATOM 721 CB TYR A 51 4.886 1.478 0.965 1.00 0.00 C ATOM 722 CG TYR A 51 6.236 1.165 0.315 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.358 0.997 1.102 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.331 1.049 -1.056 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.628 0.702 0.490 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.601 0.755 -1.668 1.00 0.00 C ATOM 727 CZ TYR A 51 8.687 0.596 -0.864 1.00 0.00 C ATOM 728 OH TYR A 51 9.886 0.317 -1.441 1.00 0.00 O ATOM 0 H TYR A 51 5.463 2.049 3.555 1.00 0.00 H new ATOM 0 HA TYR A 51 5.132 3.654 1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.637 0.680 1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.115 1.478 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.283 1.087 2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.453 1.179 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.514 0.568 1.093 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.689 0.663 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 51 10.067 -0.644 -1.372 1.00 0.00 H new ATOM 738 N GLN A 52 2.582 3.521 1.282 1.00 0.00 N ATOM 739 CA GLN A 52 1.196 3.806 1.611 1.00 0.00 C ATOM 740 C GLN A 52 0.266 2.835 0.880 1.00 0.00 C ATOM 741 O GLN A 52 0.379 2.655 -0.332 1.00 0.00 O ATOM 742 CB GLN A 52 0.842 5.257 1.281 1.00 0.00 C ATOM 743 CG GLN A 52 0.960 6.146 2.521 1.00 0.00 C ATOM 744 CD GLN A 52 0.340 7.522 2.271 1.00 0.00 C ATOM 745 OE1 GLN A 52 -0.264 7.782 1.243 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.523 8.387 3.265 1.00 0.00 N ATOM 0 H GLN A 52 2.834 3.696 0.309 1.00 0.00 H new ATOM 0 HA GLN A 52 1.062 3.668 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.505 5.628 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.174 5.307 0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.463 5.667 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.009 6.260 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.039 8.104 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.148 9.333 3.194 1.00 0.00 H new ATOM 755 N ILE A 53 -0.632 2.235 1.647 1.00 0.00 N ATOM 756 CA ILE A 53 -1.581 1.287 1.087 1.00 0.00 C ATOM 757 C ILE A 53 -2.994 1.862 1.198 1.00 0.00 C ATOM 758 O ILE A 53 -3.621 1.778 2.253 1.00 0.00 O ATOM 759 CB ILE A 53 -1.420 -0.084 1.747 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.019 -0.587 1.622 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.429 -1.086 1.181 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.925 0.080 2.659 1.00 0.00 C ATOM 0 H ILE A 53 -0.723 2.387 2.652 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.383 1.129 0.027 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.633 0.021 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.043 -1.669 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.394 -0.381 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.294 -2.052 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.441 -0.726 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.272 -1.194 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.942 -0.295 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.918 1.159 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.561 -0.148 3.661 1.00 0.00 H new ATOM 774 N GLY A 54 -3.456 2.431 0.094 1.00 0.00 N ATOM 775 CA GLY A 54 -4.784 3.019 0.054 1.00 0.00 C ATOM 776 C GLY A 54 -5.806 2.028 -0.505 1.00 0.00 C ATOM 777 O GLY A 54 -5.681 1.578 -1.643 1.00 0.00 O ATOM 0 H GLY A 54 -2.934 2.497 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.080 3.325 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.769 3.918 -0.562 1.00 0.00 H new ATOM 781 N TYR A 55 -6.794 1.716 0.321 1.00 0.00 N ATOM 782 CA TYR A 55 -7.837 0.786 -0.078 1.00 0.00 C ATOM 783 C TYR A 55 -9.225 1.370 0.191 1.00 0.00 C ATOM 784 O TYR A 55 -9.420 2.091 1.169 1.00 0.00 O ATOM 785 CB TYR A 55 -7.644 -0.460 0.790 1.00 0.00 C ATOM 786 CG TYR A 55 -7.949 -0.239 2.273 1.00 0.00 C ATOM 787 CD1 TYR A 55 -7.051 0.446 3.067 1.00 0.00 C ATOM 788 CD2 TYR A 55 -9.121 -0.724 2.816 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.338 0.654 4.463 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.408 -0.515 4.212 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.502 0.163 4.966 1.00 0.00 C ATOM 792 OH TYR A 55 -8.773 0.359 6.284 1.00 0.00 O ATOM 0 H TYR A 55 -6.894 2.091 1.264 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.770 0.568 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.286 -1.256 0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.615 -0.805 0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.134 0.826 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.823 -1.260 2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.644 1.188 5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.322 -0.888 4.650 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.639 -0.045 6.504 1.00 0.00 H new ATOM 802 N ARG A 56 -10.153 1.038 -0.694 1.00 0.00 N ATOM 803 CA ARG A 56 -11.517 1.521 -0.564 1.00 0.00 C ATOM 804 C ARG A 56 -12.483 0.589 -1.299 1.00 0.00 C ATOM 805 O ARG A 56 -12.135 0.017 -2.331 1.00 0.00 O ATOM 806 CB ARG A 56 -11.657 2.936 -1.129 1.00 0.00 C ATOM 807 CG ARG A 56 -11.201 2.991 -2.589 1.00 0.00 C ATOM 808 CD ARG A 56 -12.186 3.794 -3.441 1.00 0.00 C ATOM 809 NE ARG A 56 -12.171 3.298 -4.835 1.00 0.00 N ATOM 810 CZ ARG A 56 -12.983 3.748 -5.801 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.880 4.706 -5.531 1.00 0.00 N ATOM 812 NH2 ARG A 56 -12.899 3.239 -7.038 1.00 0.00 N ATOM 0 H ARG A 56 -9.987 0.440 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.761 1.540 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.695 3.259 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.064 3.630 -0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.211 3.443 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.113 1.979 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.191 3.709 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.920 4.851 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.501 2.568 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.945 5.093 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.498 5.048 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.217 2.509 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.517 3.582 -7.773 1.00 0.00 H new ATOM 826 N GLU A 57 -13.676 0.464 -0.738 1.00 0.00 N ATOM 827 CA GLU A 57 -14.694 -0.390 -1.327 1.00 0.00 C ATOM 828 C GLU A 57 -14.807 -0.122 -2.829 1.00 0.00 C ATOM 829 O GLU A 57 -14.424 0.946 -3.303 1.00 0.00 O ATOM 830 CB GLU A 57 -16.043 -0.193 -0.632 1.00 0.00 C ATOM 831 CG GLU A 57 -16.678 -1.539 -0.277 1.00 0.00 C ATOM 832 CD GLU A 57 -18.117 -1.620 -0.792 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.735 -0.541 -0.920 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.567 -2.758 -1.045 1.00 0.00 O ATOM 0 H GLU A 57 -13.961 0.940 0.118 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.397 -1.429 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.907 0.399 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.713 0.369 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.088 -2.348 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.667 -1.676 0.804 1.00 0.00 H new ATOM 841 N ASN A 58 -15.334 -1.111 -3.536 1.00 0.00 N ATOM 842 CA ASN A 58 -15.502 -0.996 -4.974 1.00 0.00 C ATOM 843 C ASN A 58 -16.990 -0.859 -5.301 1.00 0.00 C ATOM 844 O ASN A 58 -17.424 -1.208 -6.397 1.00 0.00 O ATOM 845 CB ASN A 58 -14.973 -2.240 -5.692 1.00 0.00 C ATOM 846 CG ASN A 58 -14.539 -1.906 -7.121 1.00 0.00 C ATOM 847 OD1 ASN A 58 -15.332 -1.874 -8.047 1.00 0.00 O ATOM 848 ND2 ASN A 58 -13.238 -1.658 -7.247 1.00 0.00 N ATOM 0 H ASN A 58 -15.650 -1.996 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.944 -0.121 -5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.129 -2.652 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.746 -3.008 -5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.850 -1.424 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.629 -1.702 -6.430 1.00 0.00 H new ATOM 855 N SER A 59 -17.732 -0.350 -4.328 1.00 0.00 N ATOM 856 CA SER A 59 -19.163 -0.162 -4.498 1.00 0.00 C ATOM 857 C SER A 59 -19.578 1.209 -3.962 1.00 0.00 C ATOM 858 O SER A 59 -18.839 1.832 -3.202 1.00 0.00 O ATOM 859 CB SER A 59 -19.951 -1.269 -3.794 1.00 0.00 C ATOM 860 OG SER A 59 -20.954 -1.829 -4.636 1.00 0.00 O ATOM 0 H SER A 59 -17.369 -0.062 -3.419 1.00 0.00 H new ATOM 0 HA SER A 59 -19.391 -0.212 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 59 -19.266 -2.054 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.416 -0.867 -2.894 1.00 0.00 H new ATOM 0 HG SER A 59 -21.433 -2.533 -4.151 1.00 0.00 H new ATOM 866 N PRO A 60 -20.792 1.650 -4.390 1.00 0.00 N ATOM 867 CA PRO A 60 -21.314 2.936 -3.961 1.00 0.00 C ATOM 868 C PRO A 60 -21.809 2.872 -2.514 1.00 0.00 C ATOM 869 O PRO A 60 -22.354 1.856 -2.085 1.00 0.00 O ATOM 870 CB PRO A 60 -22.419 3.263 -4.952 1.00 0.00 C ATOM 871 CG PRO A 60 -22.786 1.945 -5.615 1.00 0.00 C ATOM 872 CD PRO A 60 -21.694 0.939 -5.290 1.00 0.00 C ATOM 0 HA PRO A 60 -20.555 3.718 -3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -23.281 3.699 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -22.080 3.990 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -23.751 1.591 -5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -22.878 2.073 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -22.105 0.048 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -21.177 0.611 -6.192 1.00 0.00 H new ATOM 880 N GLY A 61 -21.601 3.970 -1.802 1.00 0.00 N ATOM 881 CA GLY A 61 -22.020 4.051 -0.413 1.00 0.00 C ATOM 882 C GLY A 61 -20.813 3.997 0.527 1.00 0.00 C ATOM 883 O GLY A 61 -20.936 4.279 1.718 1.00 0.00 O ATOM 0 H GLY A 61 -21.148 4.811 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.572 4.976 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.700 3.230 -0.186 1.00 0.00 H new ATOM 887 N SER A 62 -19.675 3.631 -0.044 1.00 0.00 N ATOM 888 CA SER A 62 -18.448 3.535 0.728 1.00 0.00 C ATOM 889 C SER A 62 -17.907 4.935 1.026 1.00 0.00 C ATOM 890 O SER A 62 -18.219 5.889 0.315 1.00 0.00 O ATOM 891 CB SER A 62 -17.396 2.706 -0.011 1.00 0.00 C ATOM 892 OG SER A 62 -16.090 2.898 0.527 1.00 0.00 O ATOM 0 H SER A 62 -19.577 3.397 -1.032 1.00 0.00 H new ATOM 0 HA SER A 62 -18.674 3.031 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.660 1.650 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.397 2.977 -1.067 1.00 0.00 H new ATOM 0 HG SER A 62 -15.420 2.625 -0.134 1.00 0.00 H new ATOM 898 N ASN A 63 -17.105 5.013 2.078 1.00 0.00 N ATOM 899 CA ASN A 63 -16.517 6.280 2.478 1.00 0.00 C ATOM 900 C ASN A 63 -15.956 6.990 1.244 1.00 0.00 C ATOM 901 O ASN A 63 -16.059 8.210 1.126 1.00 0.00 O ATOM 902 CB ASN A 63 -15.367 6.067 3.465 1.00 0.00 C ATOM 903 CG ASN A 63 -15.697 6.671 4.831 1.00 0.00 C ATOM 904 OD1 ASN A 63 -16.336 7.705 4.943 1.00 0.00 O ATOM 905 ND2 ASN A 63 -15.228 5.972 5.860 1.00 0.00 N ATOM 0 H ASN A 63 -16.849 4.219 2.665 1.00 0.00 H new ATOM 0 HA ASN A 63 -17.295 6.877 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.169 5.001 3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.457 6.522 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.396 6.293 6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.701 5.115 5.696 1.00 0.00 H new ATOM 912 N GLY A 64 -15.376 6.196 0.357 1.00 0.00 N ATOM 913 CA GLY A 64 -14.799 6.733 -0.864 1.00 0.00 C ATOM 914 C GLY A 64 -13.295 6.966 -0.703 1.00 0.00 C ATOM 915 O GLY A 64 -12.486 6.216 -1.247 1.00 0.00 O ATOM 0 H GLY A 64 -15.293 5.185 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.978 6.043 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.291 7.671 -1.121 1.00 0.00 H new ATOM 919 N GLN A 65 -12.967 8.007 0.047 1.00 0.00 N ATOM 920 CA GLN A 65 -11.575 8.348 0.286 1.00 0.00 C ATOM 921 C GLN A 65 -10.764 7.086 0.590 1.00 0.00 C ATOM 922 O GLN A 65 -11.071 6.359 1.533 1.00 0.00 O ATOM 923 CB GLN A 65 -11.446 9.368 1.419 1.00 0.00 C ATOM 924 CG GLN A 65 -12.088 10.702 1.032 1.00 0.00 C ATOM 925 CD GLN A 65 -13.442 10.880 1.721 1.00 0.00 C ATOM 926 OE1 GLN A 65 -13.739 10.265 2.731 1.00 0.00 O ATOM 927 NE2 GLN A 65 -14.244 11.754 1.119 1.00 0.00 N ATOM 0 H GLN A 65 -13.641 8.626 0.497 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.174 8.806 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.922 8.979 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.393 9.522 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.425 11.522 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.218 10.747 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.932 12.235 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.171 11.943 1.501 1.00 0.00 H new ATOM 936 N TYR A 66 -9.745 6.866 -0.227 1.00 0.00 N ATOM 937 CA TYR A 66 -8.888 5.704 -0.058 1.00 0.00 C ATOM 938 C TYR A 66 -8.210 5.718 1.314 1.00 0.00 C ATOM 939 O TYR A 66 -7.403 6.600 1.603 1.00 0.00 O ATOM 940 CB TYR A 66 -7.815 5.810 -1.144 1.00 0.00 C ATOM 941 CG TYR A 66 -8.202 5.145 -2.467 1.00 0.00 C ATOM 942 CD1 TYR A 66 -7.897 3.817 -2.686 1.00 0.00 C ATOM 943 CD2 TYR A 66 -8.854 5.874 -3.440 1.00 0.00 C ATOM 944 CE1 TYR A 66 -8.261 3.191 -3.931 1.00 0.00 C ATOM 945 CE2 TYR A 66 -9.218 5.248 -4.685 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.903 3.938 -4.869 1.00 0.00 C ATOM 947 OH TYR A 66 -9.247 3.347 -6.045 1.00 0.00 O ATOM 0 H TYR A 66 -9.493 7.472 -1.008 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.469 4.785 -0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.601 6.863 -1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.894 5.356 -0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.386 3.247 -1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.091 6.914 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.030 2.152 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.730 5.806 -5.455 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.700 4.000 -6.619 1.00 0.00 H new ATOM 957 N SER A 67 -8.564 4.731 2.123 1.00 0.00 N ATOM 958 CA SER A 67 -8.001 4.618 3.458 1.00 0.00 C ATOM 959 C SER A 67 -6.496 4.360 3.370 1.00 0.00 C ATOM 960 O SER A 67 -6.070 3.263 3.013 1.00 0.00 O ATOM 961 CB SER A 67 -8.685 3.504 4.252 1.00 0.00 C ATOM 962 OG SER A 67 -10.020 3.848 4.613 1.00 0.00 O ATOM 0 H SER A 67 -9.234 4.002 1.880 1.00 0.00 H new ATOM 0 HA SER A 67 -8.172 5.558 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.694 2.589 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.108 3.294 5.153 1.00 0.00 H new ATOM 0 HG SER A 67 -10.423 3.110 5.117 1.00 0.00 H new ATOM 968 N ILE A 68 -5.731 5.390 3.702 1.00 0.00 N ATOM 969 CA ILE A 68 -4.282 5.288 3.666 1.00 0.00 C ATOM 970 C ILE A 68 -3.784 4.680 4.978 1.00 0.00 C ATOM 971 O ILE A 68 -4.357 4.927 6.038 1.00 0.00 O ATOM 972 CB ILE A 68 -3.657 6.647 3.342 1.00 0.00 C ATOM 973 CG1 ILE A 68 -4.001 7.083 1.917 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.147 6.629 3.588 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.598 6.011 0.903 1.00 0.00 C ATOM 0 H ILE A 68 -6.087 6.299 3.997 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.968 4.619 2.865 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.084 7.389 4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.071 7.277 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.490 8.018 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.728 7.607 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.952 6.395 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.684 5.872 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.854 6.346 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.524 5.837 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.129 5.085 1.122 1.00 0.00 H new ATOM 987 N VAL A 69 -2.722 3.895 4.864 1.00 0.00 N ATOM 988 CA VAL A 69 -2.141 3.249 6.029 1.00 0.00 C ATOM 989 C VAL A 69 -0.618 3.378 5.971 1.00 0.00 C ATOM 990 O VAL A 69 0.017 2.876 5.045 1.00 0.00 O ATOM 991 CB VAL A 69 -2.615 1.797 6.113 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.821 1.666 7.046 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.935 1.243 4.723 1.00 0.00 C ATOM 0 H VAL A 69 -2.249 3.692 3.983 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.475 3.739 6.944 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.802 1.204 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.137 0.624 7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.546 2.002 8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.640 2.279 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.270 0.209 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.723 1.841 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.041 1.283 4.101 1.00 0.00 H new ATOM 1003 N GLU A 70 -0.075 4.054 6.973 1.00 0.00 N ATOM 1004 CA GLU A 70 1.362 4.256 7.048 1.00 0.00 C ATOM 1005 C GLU A 70 2.044 3.010 7.615 1.00 0.00 C ATOM 1006 O GLU A 70 1.526 2.379 8.535 1.00 0.00 O ATOM 1007 CB GLU A 70 1.700 5.494 7.882 1.00 0.00 C ATOM 1008 CG GLU A 70 3.150 5.449 8.367 1.00 0.00 C ATOM 1009 CD GLU A 70 3.755 6.853 8.417 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.584 7.581 7.415 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.375 7.168 9.456 1.00 0.00 O ATOM 0 H GLU A 70 -0.605 4.469 7.740 1.00 0.00 H new ATOM 0 HA GLU A 70 1.738 4.425 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.540 6.393 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.028 5.555 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.192 4.996 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.740 4.818 7.702 1.00 0.00 H new ATOM 1018 N MET A 71 3.197 2.692 7.043 1.00 0.00 N ATOM 1019 CA MET A 71 3.955 1.532 7.481 1.00 0.00 C ATOM 1020 C MET A 71 5.456 1.755 7.289 1.00 0.00 C ATOM 1021 O MET A 71 5.874 2.799 6.790 1.00 0.00 O ATOM 1022 CB MET A 71 3.514 0.303 6.683 1.00 0.00 C ATOM 1023 CG MET A 71 3.897 0.442 5.208 1.00 0.00 C ATOM 1024 SD MET A 71 5.541 -0.201 4.941 1.00 0.00 S ATOM 1025 CE MET A 71 5.158 -1.919 4.644 1.00 0.00 C ATOM 0 H MET A 71 3.624 3.218 6.280 1.00 0.00 H new ATOM 0 HA MET A 71 3.763 1.374 8.542 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.977 -0.591 7.100 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.435 0.175 6.772 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.182 -0.096 4.586 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.854 1.490 4.910 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.082 -2.477 4.493 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.624 -2.327 5.503 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.533 -2.004 3.755 1.00 0.00 H new ATOM 1035 N LYS A 72 6.227 0.757 7.695 1.00 0.00 N ATOM 1036 CA LYS A 72 7.673 0.830 7.574 1.00 0.00 C ATOM 1037 C LYS A 72 8.159 -0.277 6.637 1.00 0.00 C ATOM 1038 O LYS A 72 7.524 -1.325 6.527 1.00 0.00 O ATOM 1039 CB LYS A 72 8.329 0.798 8.956 1.00 0.00 C ATOM 1040 CG LYS A 72 8.100 -0.552 9.640 1.00 0.00 C ATOM 1041 CD LYS A 72 9.430 -1.227 9.979 1.00 0.00 C ATOM 1042 CE LYS A 72 9.748 -1.097 11.469 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.241 -2.384 12.009 1.00 0.00 N ATOM 0 H LYS A 72 5.877 -0.107 8.108 1.00 0.00 H new ATOM 0 HA LYS A 72 7.970 1.779 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.399 0.984 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.921 1.597 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.518 -0.408 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.515 -1.200 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.387 -2.281 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.230 -0.776 9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.499 -0.321 11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.855 -0.787 12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.452 -2.277 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.513 -3.115 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.105 -2.665 11.503 1.00 0.00 H new ATOM 1057 N ALA A 73 9.281 -0.008 5.986 1.00 0.00 N ATOM 1058 CA ALA A 73 9.859 -0.968 5.062 1.00 0.00 C ATOM 1059 C ALA A 73 10.734 -1.954 5.839 1.00 0.00 C ATOM 1060 O ALA A 73 11.871 -1.640 6.186 1.00 0.00 O ATOM 1061 CB ALA A 73 10.640 -0.226 3.976 1.00 0.00 C ATOM 0 H ALA A 73 9.805 0.862 6.080 1.00 0.00 H new ATOM 0 HA ALA A 73 9.076 -1.542 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.074 -0.947 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.967 0.439 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.436 0.359 4.436 1.00 0.00 H new ATOM 1067 N THR A 74 10.170 -3.127 6.089 1.00 0.00 N ATOM 1068 CA THR A 74 10.885 -4.160 6.819 1.00 0.00 C ATOM 1069 C THR A 74 12.155 -4.563 6.066 1.00 0.00 C ATOM 1070 O THR A 74 13.195 -4.798 6.679 1.00 0.00 O ATOM 1071 CB THR A 74 9.922 -5.326 7.052 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.480 -5.679 5.744 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.644 -4.894 7.773 1.00 0.00 C ATOM 0 H THR A 74 9.227 -3.385 5.799 1.00 0.00 H new ATOM 0 HA THR A 74 11.221 -3.797 7.790 1.00 0.00 H new ATOM 0 HB THR A 74 10.423 -6.100 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.852 -6.429 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.995 -5.759 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.900 -4.471 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.125 -4.144 7.176 1.00 0.00 H new ATOM 1081 N GLY A 75 12.028 -4.630 4.749 1.00 0.00 N ATOM 1082 CA GLY A 75 13.153 -5.000 3.907 1.00 0.00 C ATOM 1083 C GLY A 75 12.839 -4.747 2.431 1.00 0.00 C ATOM 1084 O GLY A 75 12.151 -3.784 2.095 1.00 0.00 O ATOM 0 H GLY A 75 11.163 -4.434 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.034 -4.428 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.393 -6.053 4.056 1.00 0.00 H new ATOM 1088 N ASP A 76 13.358 -5.629 1.589 1.00 0.00 N ATOM 1089 CA ASP A 76 13.141 -5.514 0.157 1.00 0.00 C ATOM 1090 C ASP A 76 11.659 -5.738 -0.150 1.00 0.00 C ATOM 1091 O ASP A 76 11.050 -4.963 -0.886 1.00 0.00 O ATOM 1092 CB ASP A 76 13.947 -6.565 -0.608 1.00 0.00 C ATOM 1093 CG ASP A 76 15.411 -6.694 -0.183 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.640 -7.285 0.894 1.00 0.00 O ATOM 1095 OD2 ASP A 76 16.269 -6.197 -0.945 1.00 0.00 O ATOM 0 H ASP A 76 13.928 -6.426 1.871 1.00 0.00 H new ATOM 0 HA ASP A 76 13.460 -4.519 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.462 -7.533 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.913 -6.324 -1.671 1.00 0.00 H new ATOM 1100 N SER A 77 11.122 -6.802 0.429 1.00 0.00 N ATOM 1101 CA SER A 77 9.723 -7.138 0.226 1.00 0.00 C ATOM 1102 C SER A 77 8.888 -6.632 1.403 1.00 0.00 C ATOM 1103 O SER A 77 9.337 -6.664 2.547 1.00 0.00 O ATOM 1104 CB SER A 77 9.539 -8.647 0.054 1.00 0.00 C ATOM 1105 OG SER A 77 10.142 -9.383 1.115 1.00 0.00 O ATOM 0 H SER A 77 11.630 -7.443 1.039 1.00 0.00 H new ATOM 0 HA SER A 77 9.383 -6.651 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.475 -8.880 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.973 -8.959 -0.896 1.00 0.00 H new ATOM 0 HG SER A 77 10.001 -10.342 0.969 1.00 0.00 H new ATOM 1111 N GLU A 78 7.686 -6.176 1.081 1.00 0.00 N ATOM 1112 CA GLU A 78 6.783 -5.664 2.098 1.00 0.00 C ATOM 1113 C GLU A 78 5.371 -6.210 1.878 1.00 0.00 C ATOM 1114 O GLU A 78 5.004 -6.558 0.757 1.00 0.00 O ATOM 1115 CB GLU A 78 6.784 -4.134 2.111 1.00 0.00 C ATOM 1116 CG GLU A 78 8.190 -3.588 2.366 1.00 0.00 C ATOM 1117 CD GLU A 78 8.539 -2.484 1.367 1.00 0.00 C ATOM 1118 OE1 GLU A 78 7.602 -1.753 0.978 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.735 -2.394 1.014 1.00 0.00 O ATOM 0 H GLU A 78 7.317 -6.150 0.131 1.00 0.00 H new ATOM 0 HA GLU A 78 7.134 -6.003 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.412 -3.759 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.104 -3.773 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.254 -3.198 3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.917 -4.396 2.289 1.00 0.00 H new ATOM 1126 N VAL A 79 4.617 -6.267 2.966 1.00 0.00 N ATOM 1127 CA VAL A 79 3.253 -6.764 2.906 1.00 0.00 C ATOM 1128 C VAL A 79 2.416 -6.080 3.989 1.00 0.00 C ATOM 1129 O VAL A 79 2.941 -5.695 5.033 1.00 0.00 O ATOM 1130 CB VAL A 79 3.247 -8.290 3.021 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.846 -8.742 4.354 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.834 -8.848 2.837 1.00 0.00 C ATOM 0 H VAL A 79 4.925 -5.977 3.894 1.00 0.00 H new ATOM 0 HA VAL A 79 2.801 -6.521 1.945 1.00 0.00 H new ATOM 0 HB VAL A 79 3.871 -8.689 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.830 -9.830 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.875 -8.390 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.261 -8.328 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.858 -9.934 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.178 -8.437 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.459 -8.570 1.852 1.00 0.00 H new ATOM 1142 N TYR A 80 1.129 -5.949 3.704 1.00 0.00 N ATOM 1143 CA TYR A 80 0.215 -5.318 4.640 1.00 0.00 C ATOM 1144 C TYR A 80 -1.173 -5.958 4.568 1.00 0.00 C ATOM 1145 O TYR A 80 -1.802 -5.966 3.511 1.00 0.00 O ATOM 1146 CB TYR A 80 0.113 -3.854 4.208 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.394 -2.915 5.304 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.588 -3.182 5.944 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.343 -1.802 5.655 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.065 -2.298 6.976 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -0.134 -0.918 6.687 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.314 -1.210 7.296 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.765 -0.375 8.271 1.00 0.00 O ATOM 0 H TYR A 80 0.697 -6.270 2.837 1.00 0.00 H new ATOM 0 HA TYR A 80 0.577 -5.427 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.095 -3.514 3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.553 -3.785 3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.164 -4.054 5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.278 -1.594 5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.998 -2.494 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.433 -0.043 6.971 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.036 0.211 8.563 1.00 0.00 H new ATOM 1163 N THR A 81 -1.609 -6.478 5.705 1.00 0.00 N ATOM 1164 CA THR A 81 -2.911 -7.118 5.784 1.00 0.00 C ATOM 1165 C THR A 81 -4.000 -6.081 6.067 1.00 0.00 C ATOM 1166 O THR A 81 -4.177 -5.658 7.209 1.00 0.00 O ATOM 1167 CB THR A 81 -2.833 -8.221 6.842 1.00 0.00 C ATOM 1168 OG1 THR A 81 -1.958 -9.190 6.269 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.158 -8.968 7.008 1.00 0.00 C ATOM 0 H THR A 81 -1.084 -6.469 6.579 1.00 0.00 H new ATOM 0 HA THR A 81 -3.183 -7.578 4.834 1.00 0.00 H new ATOM 0 HB THR A 81 -2.539 -7.787 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.850 -9.941 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.048 -9.739 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.935 -8.267 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.436 -9.431 6.061 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.700 -5.701 5.009 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.766 -4.721 5.129 1.00 0.00 C ATOM 1179 C LEU A 82 -7.013 -5.398 5.703 1.00 0.00 C ATOM 1180 O LEU A 82 -7.673 -6.176 5.016 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.007 -4.024 3.789 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.828 -3.228 3.225 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.895 -3.156 1.699 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.749 -1.839 3.862 1.00 0.00 C ATOM 0 H LEU A 82 -4.550 -6.054 4.064 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.481 -3.932 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.294 -4.778 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.855 -3.349 3.901 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.908 -3.753 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.046 -2.585 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.865 -4.164 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.822 -2.668 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.903 -1.294 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.669 -1.292 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.619 -1.940 4.939 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.297 -5.077 6.957 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.453 -5.644 7.631 1.00 0.00 C ATOM 1198 C ASP A 83 -9.610 -4.645 7.579 1.00 0.00 C ATOM 1199 O ASP A 83 -9.496 -3.590 6.956 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.145 -5.935 9.101 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.120 -4.999 9.745 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -5.913 -5.255 9.544 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -7.567 -4.048 10.422 1.00 0.00 O ATOM 0 H ASP A 83 -6.747 -4.432 7.524 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.715 -6.574 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.073 -5.878 9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.782 -6.959 9.185 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.697 -5.012 8.241 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.874 -4.160 8.278 1.00 0.00 C ATOM 1210 C ASN A 84 -12.411 -3.978 6.857 1.00 0.00 C ATOM 1211 O ASN A 84 -12.524 -2.854 6.371 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.535 -2.776 8.836 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.700 -2.743 10.357 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.797 -2.796 10.889 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.553 -2.653 11.023 1.00 0.00 N ATOM 0 H ASN A 84 -10.788 -5.888 8.756 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.615 -4.636 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.510 -2.514 8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.183 -2.027 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.556 -2.624 12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.670 -2.613 10.514 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.729 -5.102 6.230 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.252 -5.080 4.875 1.00 0.00 C ATOM 1224 C LEU A 85 -14.671 -5.650 4.871 1.00 0.00 C ATOM 1225 O LEU A 85 -15.214 -5.980 5.925 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.297 -5.801 3.921 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.828 -5.381 3.997 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.987 -6.138 2.968 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.683 -3.865 3.853 1.00 0.00 C ATOM 0 H LEU A 85 -12.634 -6.033 6.636 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.319 -4.055 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.359 -6.871 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.647 -5.643 2.901 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.447 -5.648 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.947 -5.820 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.054 -7.209 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.360 -5.925 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.629 -3.593 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.087 -3.551 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.230 -3.369 4.655 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.232 -5.749 3.675 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.578 -6.274 3.521 1.00 0.00 C ATOM 1243 C LYS A 86 -16.508 -7.782 3.272 1.00 0.00 C ATOM 1244 O LYS A 86 -15.421 -8.351 3.190 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.331 -5.506 2.432 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.728 -5.106 2.910 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.798 -6.010 2.296 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.680 -6.631 3.381 1.00 0.00 C ATOM 1249 NZ LYS A 86 -22.027 -6.019 3.367 1.00 0.00 N ATOM 0 H LYS A 86 -14.779 -5.475 2.803 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.151 -6.128 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.768 -4.614 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.412 -6.123 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.775 -5.167 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.925 -4.068 2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.415 -5.433 1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.322 -6.799 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.761 -7.706 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.219 -6.488 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.613 -6.452 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.946 -4.997 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.471 -6.177 2.440 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.682 -8.386 3.160 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.767 -9.817 2.922 1.00 0.00 C ATOM 1265 C LYS A 87 -18.036 -10.069 1.437 1.00 0.00 C ATOM 1266 O LYS A 87 -18.959 -9.492 0.864 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.803 -10.454 3.851 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.230 -10.654 5.256 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.319 -11.101 6.233 1.00 0.00 C ATOM 1270 CE LYS A 87 -19.300 -12.620 6.419 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.971 -13.289 5.283 1.00 0.00 N ATOM 0 H LYS A 87 -18.582 -7.911 3.230 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.819 -10.299 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.689 -9.821 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.120 -11.414 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.435 -11.399 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.782 -9.724 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.172 -10.611 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.295 -10.789 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.271 -12.970 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.799 -12.885 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.238 -14.256 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.825 -12.756 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.323 -13.326 4.470 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.213 -10.929 0.857 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.350 -11.264 -0.550 1.00 0.00 C ATOM 1287 C PHE A 88 -17.733 -10.031 -1.372 1.00 0.00 C ATOM 1288 O PHE A 88 -18.811 -9.985 -1.964 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.471 -12.301 -0.656 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.589 -12.951 -2.036 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.467 -13.251 -2.745 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -19.815 -13.228 -2.555 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.576 -13.854 -4.026 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -19.924 -13.832 -3.835 1.00 0.00 C ATOM 1295 CZ PHE A 88 -18.803 -14.132 -4.544 1.00 0.00 C ATOM 0 H PHE A 88 -16.448 -11.404 1.336 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.405 -11.646 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.303 -13.080 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.419 -11.823 -0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.493 -13.030 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.706 -12.988 -1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.685 -14.092 -4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.898 -14.053 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 88 -18.887 -14.591 -5.518 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.829 -9.063 -1.382 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.058 -7.833 -2.122 1.00 0.00 C ATOM 1307 C ALA A 89 -15.758 -7.403 -2.804 1.00 0.00 C ATOM 1308 O ALA A 89 -14.670 -7.665 -2.294 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.602 -6.762 -1.175 1.00 0.00 C ATOM 0 H ALA A 89 -15.937 -9.105 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.803 -7.987 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.774 -5.839 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.541 -7.104 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.879 -6.578 -0.380 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.914 -6.750 -3.946 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.766 -6.281 -4.703 1.00 0.00 C ATOM 1317 C GLN A 90 -14.152 -5.051 -4.029 1.00 0.00 C ATOM 1318 O GLN A 90 -14.873 -4.158 -3.586 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.151 -5.978 -6.152 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.980 -5.348 -6.910 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.098 -5.608 -8.413 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.453 -6.688 -8.857 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -13.779 -4.562 -9.170 1.00 0.00 N ATOM 0 H GLN A 90 -16.818 -6.535 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.018 -7.073 -4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.459 -6.897 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.007 -5.303 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.957 -4.274 -6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.040 -5.756 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.490 -3.686 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.824 -4.635 -10.186 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.829 -5.045 -3.974 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.110 -3.940 -3.363 1.00 0.00 C ATOM 1334 C TYR A 91 -10.858 -3.588 -4.168 1.00 0.00 C ATOM 1335 O TYR A 91 -10.133 -4.475 -4.616 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.690 -4.427 -1.975 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.663 -4.041 -0.859 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.585 -2.792 -0.276 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.619 -4.941 -0.435 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.500 -2.429 0.774 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.535 -4.578 0.615 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.430 -3.339 1.168 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.295 -2.996 2.160 1.00 0.00 O ATOM 0 H TYR A 91 -12.235 -5.788 -4.343 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.738 -3.050 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.590 -5.512 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.706 -4.021 -1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.837 -2.087 -0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.680 -5.918 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.449 -1.455 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.288 -5.273 0.956 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.103 -2.083 2.461 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.641 -2.290 -4.327 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.488 -1.810 -5.070 1.00 0.00 C ATOM 1355 C GLY A 92 -8.561 -0.987 -4.172 1.00 0.00 C ATOM 1356 O GLY A 92 -8.993 -0.017 -3.552 1.00 0.00 O ATOM 0 H GLY A 92 -11.244 -1.557 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.941 -2.656 -5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.820 -1.201 -5.911 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.305 -1.406 -4.131 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.314 -0.720 -3.320 1.00 0.00 C ATOM 1362 C VAL A 93 -5.064 -0.458 -4.163 1.00 0.00 C ATOM 1363 O VAL A 93 -4.833 -1.134 -5.165 1.00 0.00 O ATOM 1364 CB VAL A 93 -6.022 -1.530 -2.055 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.274 -3.021 -2.288 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.593 -1.285 -1.565 1.00 0.00 C ATOM 0 H VAL A 93 -6.951 -2.212 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.693 0.247 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.706 -1.193 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.059 -3.574 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.316 -3.174 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.627 -3.379 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.411 -1.872 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.887 -1.581 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.462 -0.227 -1.340 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.291 0.525 -3.727 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.070 0.886 -4.429 1.00 0.00 C ATOM 1378 C VAL A 94 -1.896 0.860 -3.448 1.00 0.00 C ATOM 1379 O VAL A 94 -2.096 0.871 -2.235 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.244 2.240 -5.119 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.228 2.140 -6.285 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -3.685 3.312 -4.119 1.00 0.00 C ATOM 0 H VAL A 94 -4.486 1.083 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.853 0.162 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.276 2.536 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.333 3.117 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.855 1.422 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.199 1.810 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.801 4.265 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.636 3.023 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.932 3.412 -3.337 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.697 0.826 -4.011 1.00 0.00 N ATOM 1393 CA VAL A 95 0.509 0.799 -3.202 1.00 0.00 C ATOM 1394 C VAL A 95 1.522 1.794 -3.770 1.00 0.00 C ATOM 1395 O VAL A 95 1.737 1.843 -4.980 1.00 0.00 O ATOM 1396 CB VAL A 95 1.053 -0.629 -3.122 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.225 -0.715 -2.141 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.052 -1.617 -2.744 1.00 0.00 C ATOM 0 H VAL A 95 -0.535 0.817 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 95 0.290 1.107 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 95 1.422 -0.902 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.593 -1.740 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.026 -0.054 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.892 -0.412 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.362 -2.624 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.466 -1.346 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.841 -1.586 -3.496 1.00 0.00 H new ATOM 1408 N GLN A 96 2.118 2.562 -2.870 1.00 0.00 N ATOM 1409 CA GLN A 96 3.104 3.553 -3.267 1.00 0.00 C ATOM 1410 C GLN A 96 4.216 3.645 -2.220 1.00 0.00 C ATOM 1411 O GLN A 96 3.959 3.519 -1.024 1.00 0.00 O ATOM 1412 CB GLN A 96 2.450 4.917 -3.493 1.00 0.00 C ATOM 1413 CG GLN A 96 1.367 5.186 -2.446 1.00 0.00 C ATOM 1414 CD GLN A 96 0.551 6.430 -2.807 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.668 6.421 -2.820 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.291 7.496 -3.097 1.00 0.00 N ATOM 0 H GLN A 96 1.937 2.518 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 96 3.547 3.238 -4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.207 5.700 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.013 4.954 -4.491 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.706 4.322 -2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.828 5.320 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.309 7.434 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.841 8.376 -3.350 1.00 0.00 H new ATOM 1425 N ALA A 97 5.428 3.863 -2.709 1.00 0.00 N ATOM 1426 CA ALA A 97 6.580 3.972 -1.830 1.00 0.00 C ATOM 1427 C ALA A 97 6.788 5.440 -1.450 1.00 0.00 C ATOM 1428 O ALA A 97 6.944 6.294 -2.321 1.00 0.00 O ATOM 1429 CB ALA A 97 7.806 3.369 -2.518 1.00 0.00 C ATOM 0 H ALA A 97 5.637 3.967 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 97 6.415 3.413 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.670 3.451 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.618 2.319 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.005 3.907 -3.445 1.00 0.00 H new ATOM 1435 N PHE A 98 6.785 5.687 -0.148 1.00 0.00 N ATOM 1436 CA PHE A 98 6.971 7.036 0.358 1.00 0.00 C ATOM 1437 C PHE A 98 8.196 7.115 1.271 1.00 0.00 C ATOM 1438 O PHE A 98 8.337 6.318 2.197 1.00 0.00 O ATOM 1439 CB PHE A 98 5.722 7.387 1.168 1.00 0.00 C ATOM 1440 CG PHE A 98 5.735 6.842 2.598 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.497 7.447 3.549 1.00 0.00 C ATOM 1442 CD2 PHE A 98 4.985 5.754 2.919 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.509 6.942 4.876 1.00 0.00 C ATOM 1444 CE2 PHE A 98 4.997 5.249 4.246 1.00 0.00 C ATOM 1445 CZ PHE A 98 5.759 5.854 5.196 1.00 0.00 C ATOM 0 H PHE A 98 6.657 4.975 0.571 1.00 0.00 H new ATOM 0 HA PHE A 98 7.124 7.726 -0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.618 8.471 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.845 6.999 0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.093 8.311 3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.380 5.274 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.114 7.422 5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.401 4.385 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.768 5.470 6.205 1.00 0.00 H new ATOM 1455 N ASN A 99 9.052 8.083 0.978 1.00 0.00 N ATOM 1456 CA ASN A 99 10.260 8.276 1.762 1.00 0.00 C ATOM 1457 C ASN A 99 10.281 9.702 2.316 1.00 0.00 C ATOM 1458 O ASN A 99 9.377 10.491 2.044 1.00 0.00 O ATOM 1459 CB ASN A 99 11.511 8.085 0.902 1.00 0.00 C ATOM 1460 CG ASN A 99 11.389 8.844 -0.421 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.977 9.992 -0.472 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.768 8.142 -1.485 1.00 0.00 N ATOM 0 H ASN A 99 8.933 8.742 0.209 1.00 0.00 H new ATOM 0 HA ASN A 99 10.260 7.542 2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.388 8.435 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.662 7.024 0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.724 8.560 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.103 7.185 -1.372 1.00 0.00 H new ATOM 1469 N ARG A 100 11.323 9.990 3.082 1.00 0.00 N ATOM 1470 CA ARG A 100 11.474 11.307 3.677 1.00 0.00 C ATOM 1471 C ARG A 100 11.670 12.362 2.586 1.00 0.00 C ATOM 1472 O ARG A 100 11.339 13.531 2.781 1.00 0.00 O ATOM 1473 CB ARG A 100 12.666 11.346 4.635 1.00 0.00 C ATOM 1474 CG ARG A 100 12.383 10.528 5.896 1.00 0.00 C ATOM 1475 CD ARG A 100 12.229 11.437 7.117 1.00 0.00 C ATOM 1476 NE ARG A 100 13.282 11.133 8.111 1.00 0.00 N ATOM 1477 CZ ARG A 100 13.674 11.979 9.073 1.00 0.00 C ATOM 1478 NH1 ARG A 100 13.103 13.187 9.176 1.00 0.00 N ATOM 1479 NH2 ARG A 100 14.637 11.618 9.931 1.00 0.00 N ATOM 0 H ARG A 100 12.071 9.333 3.304 1.00 0.00 H new ATOM 0 HA ARG A 100 10.565 11.524 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.552 10.955 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.884 12.378 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.474 9.942 5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.195 9.821 6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.295 12.482 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.245 11.296 7.563 1.00 0.00 H new ATOM 0 HE ARG A 100 13.738 10.222 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.370 13.462 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.401 13.831 9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.072 10.699 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.935 12.262 10.663 1.00 0.00 H new ATOM 1493 N ALA A 101 12.207 11.912 1.462 1.00 0.00 N ATOM 1494 CA ALA A 101 12.452 12.803 0.340 1.00 0.00 C ATOM 1495 C ALA A 101 11.115 13.210 -0.283 1.00 0.00 C ATOM 1496 O ALA A 101 11.008 14.273 -0.892 1.00 0.00 O ATOM 1497 CB ALA A 101 13.379 12.117 -0.665 1.00 0.00 C ATOM 0 H ALA A 101 12.480 10.942 1.304 1.00 0.00 H new ATOM 0 HA ALA A 101 12.951 13.713 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.562 12.786 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.325 11.875 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.911 11.201 -1.025 1.00 0.00 H new ATOM 1503 N GLY A 102 10.129 12.341 -0.109 1.00 0.00 N ATOM 1504 CA GLY A 102 8.804 12.597 -0.647 1.00 0.00 C ATOM 1505 C GLY A 102 8.105 11.289 -1.027 1.00 0.00 C ATOM 1506 O GLY A 102 8.596 10.206 -0.716 1.00 0.00 O ATOM 0 H GLY A 102 10.222 11.460 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.206 13.133 0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.881 13.240 -1.523 1.00 0.00 H new ATOM 1510 N THR A 103 6.969 11.435 -1.694 1.00 0.00 N ATOM 1511 CA THR A 103 6.198 10.279 -2.119 1.00 0.00 C ATOM 1512 C THR A 103 6.270 10.120 -3.639 1.00 0.00 C ATOM 1513 O THR A 103 6.592 11.069 -4.352 1.00 0.00 O ATOM 1514 CB THR A 103 4.771 10.443 -1.592 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.946 10.866 -0.243 1.00 0.00 O ATOM 1516 CG2 THR A 103 4.034 9.107 -1.471 1.00 0.00 C ATOM 0 H THR A 103 6.564 12.336 -1.950 1.00 0.00 H new ATOM 0 HA THR A 103 6.608 9.357 -1.707 1.00 0.00 H new ATOM 0 HB THR A 103 4.214 11.106 -2.254 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.069 10.998 0.175 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.027 9.280 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.977 8.633 -2.451 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.573 8.455 -0.783 1.00 0.00 H new ATOM 1524 N GLY A 104 5.966 8.912 -4.090 1.00 0.00 N ATOM 1525 CA GLY A 104 5.992 8.616 -5.513 1.00 0.00 C ATOM 1526 C GLY A 104 4.588 8.305 -6.034 1.00 0.00 C ATOM 1527 O GLY A 104 3.603 8.478 -5.317 1.00 0.00 O ATOM 0 H GLY A 104 5.700 8.127 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.406 9.465 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.649 7.767 -5.699 1.00 0.00 H new ATOM 1531 N PRO A 105 4.538 7.841 -7.312 1.00 0.00 N ATOM 1532 CA PRO A 105 3.271 7.506 -7.937 1.00 0.00 C ATOM 1533 C PRO A 105 2.727 6.181 -7.399 1.00 0.00 C ATOM 1534 O PRO A 105 3.454 5.421 -6.760 1.00 0.00 O ATOM 1535 CB PRO A 105 3.567 7.464 -9.428 1.00 0.00 C ATOM 1536 CG PRO A 105 5.075 7.318 -9.549 1.00 0.00 C ATOM 1537 CD PRO A 105 5.684 7.625 -8.191 1.00 0.00 C ATOM 0 HA PRO A 105 2.489 8.234 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.054 6.629 -9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.222 8.373 -9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.336 6.308 -9.865 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.465 8.000 -10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.303 6.800 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.323 8.507 -8.234 1.00 0.00 H new ATOM 1545 N SER A 106 1.453 5.945 -7.675 1.00 0.00 N ATOM 1546 CA SER A 106 0.803 4.725 -7.226 1.00 0.00 C ATOM 1547 C SER A 106 1.009 3.613 -8.257 1.00 0.00 C ATOM 1548 O SER A 106 1.531 3.857 -9.343 1.00 0.00 O ATOM 1549 CB SER A 106 -0.690 4.954 -6.982 1.00 0.00 C ATOM 1550 OG SER A 106 -1.350 5.449 -8.144 1.00 0.00 O ATOM 0 H SER A 106 0.853 6.578 -8.204 1.00 0.00 H new ATOM 0 HA SER A 106 1.255 4.424 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.155 4.018 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.819 5.661 -6.162 1.00 0.00 H new ATOM 0 HG SER A 106 -2.301 5.581 -7.949 1.00 0.00 H new ATOM 1556 N SER A 107 0.587 2.415 -7.879 1.00 0.00 N ATOM 1557 CA SER A 107 0.718 1.264 -8.757 1.00 0.00 C ATOM 1558 C SER A 107 -0.619 0.973 -9.441 1.00 0.00 C ATOM 1559 O SER A 107 -1.665 1.442 -8.993 1.00 0.00 O ATOM 1560 CB SER A 107 1.198 0.034 -7.985 1.00 0.00 C ATOM 1561 OG SER A 107 0.233 -1.014 -7.996 1.00 0.00 O ATOM 0 H SER A 107 0.154 2.216 -6.977 1.00 0.00 H new ATOM 0 HA SER A 107 1.464 1.497 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.130 -0.327 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.416 0.315 -6.955 1.00 0.00 H new ATOM 0 HG SER A 107 0.663 -1.852 -8.267 1.00 0.00 H new ATOM 1567 N SER A 108 -0.543 0.200 -10.514 1.00 0.00 N ATOM 1568 CA SER A 108 -1.734 -0.160 -11.264 1.00 0.00 C ATOM 1569 C SER A 108 -2.814 -0.680 -10.313 1.00 0.00 C ATOM 1570 O SER A 108 -2.653 -1.737 -9.706 1.00 0.00 O ATOM 1571 CB SER A 108 -1.417 -1.208 -12.332 1.00 0.00 C ATOM 1572 OG SER A 108 -0.067 -1.658 -12.254 1.00 0.00 O ATOM 0 H SER A 108 0.326 -0.187 -10.882 1.00 0.00 H new ATOM 0 HA SER A 108 -2.103 0.733 -11.769 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.090 -2.058 -12.217 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.602 -0.786 -13.320 1.00 0.00 H new ATOM 0 HG SER A 108 0.095 -2.327 -12.951 1.00 0.00 H new ATOM 1578 N GLU A 109 -3.890 0.087 -10.214 1.00 0.00 N ATOM 1579 CA GLU A 109 -4.995 -0.284 -9.348 1.00 0.00 C ATOM 1580 C GLU A 109 -5.342 -1.763 -9.532 1.00 0.00 C ATOM 1581 O GLU A 109 -5.616 -2.205 -10.647 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.216 0.602 -9.607 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.303 0.357 -8.558 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.587 1.109 -8.915 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.464 2.291 -9.302 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.663 0.484 -8.793 1.00 0.00 O ATOM 0 H GLU A 109 -4.020 0.963 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.687 -0.130 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.919 1.651 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.613 0.399 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.510 -0.711 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.948 0.679 -7.579 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.319 -2.486 -8.422 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.627 -3.906 -8.448 1.00 0.00 C ATOM 1595 C ILE A 110 -6.944 -4.150 -7.708 1.00 0.00 C ATOM 1596 O ILE A 110 -7.578 -3.209 -7.234 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.453 -4.719 -7.899 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.751 -3.971 -6.764 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -3.483 -5.105 -9.017 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.554 -4.767 -6.240 1.00 0.00 C ATOM 0 H ILE A 110 -5.092 -2.115 -7.499 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.768 -4.247 -9.474 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.846 -5.645 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.417 -2.996 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.456 -3.791 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.658 -5.682 -8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.006 -5.706 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.093 -4.203 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.073 -4.213 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.895 -5.732 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.840 -4.925 -7.048 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.316 -5.420 -7.633 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.546 -5.800 -6.959 1.00 0.00 C ATOM 1614 C ASN A 111 -8.410 -7.228 -6.426 1.00 0.00 C ATOM 1615 O ASN A 111 -7.426 -7.909 -6.709 1.00 0.00 O ATOM 1616 CB ASN A 111 -9.735 -5.767 -7.922 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.449 -6.598 -9.175 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -8.624 -6.255 -10.004 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.177 -7.708 -9.265 1.00 0.00 N ATOM 0 H ASN A 111 -6.788 -6.198 -8.028 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.718 -5.092 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.624 -6.151 -7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.949 -4.737 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.061 -8.331 -10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.851 -7.936 -8.534 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.412 -7.639 -5.663 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.416 -8.973 -5.087 1.00 0.00 C ATOM 1628 C ALA A 112 -10.663 -9.144 -4.217 1.00 0.00 C ATOM 1629 O ALA A 112 -10.689 -8.700 -3.070 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.122 -9.194 -4.302 1.00 0.00 C ATOM 0 H ALA A 112 -10.227 -7.072 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.455 -9.730 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.125 -10.195 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.268 -9.090 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.050 -8.455 -3.504 1.00 0.00 H new ATOM 1636 N THR A 113 -11.666 -9.788 -4.795 1.00 0.00 N ATOM 1637 CA THR A 113 -12.912 -10.023 -4.086 1.00 0.00 C ATOM 1638 C THR A 113 -12.679 -10.948 -2.890 1.00 0.00 C ATOM 1639 O THR A 113 -12.296 -12.105 -3.060 1.00 0.00 O ATOM 1640 CB THR A 113 -13.930 -10.571 -5.089 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.257 -9.447 -5.901 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.256 -10.952 -4.428 1.00 0.00 C ATOM 0 H THR A 113 -11.641 -10.154 -5.747 1.00 0.00 H new ATOM 0 HA THR A 113 -13.310 -9.098 -3.669 1.00 0.00 H new ATOM 0 HB THR A 113 -13.511 -11.443 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.911 -9.713 -6.580 1.00 0.00 H new ATOM 0 HG21 THR A 113 -15.942 -11.335 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.080 -11.720 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.692 -10.073 -3.954 1.00 0.00 H new ATOM 1650 N THR A 114 -12.920 -10.404 -1.706 1.00 0.00 N ATOM 1651 CA THR A 114 -12.741 -11.166 -0.482 1.00 0.00 C ATOM 1652 C THR A 114 -13.443 -12.521 -0.590 1.00 0.00 C ATOM 1653 O THR A 114 -14.361 -12.687 -1.392 1.00 0.00 O ATOM 1654 CB THR A 114 -13.244 -10.312 0.684 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.482 -9.782 0.217 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.375 -9.076 0.922 1.00 0.00 C ATOM 0 H THR A 114 -13.238 -9.445 -1.569 1.00 0.00 H new ATOM 0 HA THR A 114 -11.689 -11.393 -0.307 1.00 0.00 H new ATOM 0 HB THR A 114 -13.271 -10.916 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.449 -8.803 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.776 -8.505 1.760 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.355 -9.387 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.374 -8.454 0.027 1.00 0.00 H new ATOM 1664 N LEU A 115 -12.984 -13.456 0.229 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.556 -14.791 0.236 1.00 0.00 C ATOM 1666 C LEU A 115 -15.069 -14.693 0.444 1.00 0.00 C ATOM 1667 O LEU A 115 -15.590 -13.616 0.731 1.00 0.00 O ATOM 1668 CB LEU A 115 -12.849 -15.672 1.268 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.471 -16.201 0.868 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.095 -15.740 -0.542 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -10.412 -15.810 1.900 1.00 0.00 C ATOM 0 H LEU A 115 -12.222 -13.315 0.892 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.397 -15.278 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -12.743 -15.102 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.492 -16.523 1.491 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.516 -17.290 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.111 -16.130 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.832 -16.111 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.074 -14.651 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.442 -16.199 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.361 -14.724 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.678 -16.228 2.871 1.00 0.00 H new ATOM 1683 N GLU A 116 -15.730 -15.830 0.291 1.00 0.00 N ATOM 1684 CA GLU A 116 -17.173 -15.885 0.459 1.00 0.00 C ATOM 1685 C GLU A 116 -17.528 -16.576 1.777 1.00 0.00 C ATOM 1686 O GLU A 116 -18.692 -16.886 2.026 1.00 0.00 O ATOM 1687 CB GLU A 116 -17.836 -16.591 -0.726 1.00 0.00 C ATOM 1688 CG GLU A 116 -16.790 -17.252 -1.626 1.00 0.00 C ATOM 1689 CD GLU A 116 -17.423 -17.755 -2.924 1.00 0.00 C ATOM 1690 OE1 GLU A 116 -18.526 -18.335 -2.830 1.00 0.00 O ATOM 1691 OE2 GLU A 116 -16.790 -17.549 -3.982 1.00 0.00 O ATOM 0 H GLU A 116 -15.294 -16.721 0.053 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.555 -14.865 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -18.535 -17.344 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.416 -15.872 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -15.999 -16.538 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.324 -18.084 -1.098 1.00 0.00 H new ATOM 1698 N SER A 117 -16.503 -16.796 2.588 1.00 0.00 N ATOM 1699 CA SER A 117 -16.692 -17.444 3.874 1.00 0.00 C ATOM 1700 C SER A 117 -15.534 -17.097 4.811 1.00 0.00 C ATOM 1701 O SER A 117 -14.537 -16.517 4.382 1.00 0.00 O ATOM 1702 CB SER A 117 -16.809 -18.962 3.715 1.00 0.00 C ATOM 1703 OG SER A 117 -18.127 -19.428 3.993 1.00 0.00 O ATOM 0 H SER A 117 -15.539 -16.537 2.379 1.00 0.00 H new ATOM 0 HA SER A 117 -17.623 -17.078 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.532 -19.242 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 117 -16.102 -19.452 4.385 1.00 0.00 H new ATOM 0 HG SER A 117 -18.161 -20.401 3.879 1.00 0.00 H new ATOM 1709 N GLY A 118 -15.703 -17.466 6.072 1.00 0.00 N ATOM 1710 CA GLY A 118 -14.684 -17.200 7.073 1.00 0.00 C ATOM 1711 C GLY A 118 -13.485 -18.135 6.896 1.00 0.00 C ATOM 1712 O GLY A 118 -13.513 -19.034 6.058 1.00 0.00 O ATOM 0 H GLY A 118 -16.531 -17.947 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.356 -16.163 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -15.106 -17.328 8.070 1.00 0.00 H new ATOM 1716 N PRO A 119 -12.434 -17.883 7.721 1.00 0.00 N ATOM 1717 CA PRO A 119 -11.228 -18.691 7.665 1.00 0.00 C ATOM 1718 C PRO A 119 -11.453 -20.059 8.313 1.00 0.00 C ATOM 1719 O PRO A 119 -12.445 -20.262 9.012 1.00 0.00 O ATOM 1720 CB PRO A 119 -10.167 -17.866 8.374 1.00 0.00 C ATOM 1721 CG PRO A 119 -10.922 -16.841 9.204 1.00 0.00 C ATOM 1722 CD PRO A 119 -12.365 -16.826 8.726 1.00 0.00 C ATOM 0 HA PRO A 119 -10.921 -18.917 6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -9.541 -18.495 9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -9.507 -17.378 7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.873 -17.096 10.263 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -10.473 -15.854 9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -13.056 -17.015 9.547 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.631 -15.858 8.302 1.00 0.00 H new ATOM 1730 N SER A 120 -10.517 -20.961 8.057 1.00 0.00 N ATOM 1731 CA SER A 120 -10.601 -22.303 8.607 1.00 0.00 C ATOM 1732 C SER A 120 -9.233 -22.984 8.537 1.00 0.00 C ATOM 1733 O SER A 120 -8.623 -23.051 7.471 1.00 0.00 O ATOM 1734 CB SER A 120 -11.648 -23.137 7.866 1.00 0.00 C ATOM 1735 OG SER A 120 -12.656 -23.631 8.744 1.00 0.00 O ATOM 0 H SER A 120 -9.697 -20.789 7.476 1.00 0.00 H new ATOM 0 HA SER A 120 -10.908 -22.227 9.650 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.111 -22.530 7.088 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.159 -23.974 7.368 1.00 0.00 H new ATOM 0 HG SER A 120 -13.306 -24.157 8.233 1.00 0.00 H new ATOM 1741 N SER A 121 -8.791 -23.473 9.686 1.00 0.00 N ATOM 1742 CA SER A 121 -7.506 -24.146 9.768 1.00 0.00 C ATOM 1743 C SER A 121 -7.529 -25.423 8.925 1.00 0.00 C ATOM 1744 O SER A 121 -7.999 -26.464 9.381 1.00 0.00 O ATOM 1745 CB SER A 121 -7.148 -24.475 11.219 1.00 0.00 C ATOM 1746 OG SER A 121 -6.501 -23.385 11.869 1.00 0.00 O ATOM 0 H SER A 121 -9.300 -23.417 10.568 1.00 0.00 H new ATOM 0 HA SER A 121 -6.743 -23.473 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.054 -24.737 11.766 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.497 -25.349 11.243 1.00 0.00 H new ATOM 0 HG SER A 121 -6.290 -23.634 12.793 1.00 0.00 H new ATOM 1752 N GLY A 122 -7.017 -25.300 7.709 1.00 0.00 N ATOM 1753 CA GLY A 122 -6.973 -26.431 6.798 1.00 0.00 C ATOM 1754 C GLY A 122 -8.099 -26.348 5.766 1.00 0.00 C ATOM 1755 O GLY A 122 -8.061 -25.510 4.867 1.00 0.00 O ATOM 0 H GLY A 122 -6.629 -24.434 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -6.009 -26.455 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -7.059 -27.360 7.362 1.00 0.00 H new TER 1759 GLY A 122