USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 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 46 SER OG : rot -71:sc= 0.081! USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.46! C(o=-1.4!,f=-9.1!) USER MOD Set 2.1: A 10 HIS : no HE2:sc= -8.29! C(o=-10!,f=-10!) USER MOD Set 2.2: A 13 MET CE :methyl -175:sc= -1.68 (180deg=-1.86) USER MOD Set 3.1: A 6 SER OG : rot -131:sc= 0.0531 USER MOD Set 3.2: A 86 THR OG1 : rot 7:sc= 0.0924 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 47:sc= 0.0215 USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00848 USER MOD Single : A 12 HIS : no HD1:sc= -0.0495 X(o=-0.049,f=-0.43) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.41! C(o=-2.4!,f=-3.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 91:sc= 0.56 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.09 K(o=-0.09,f=-0.77) USER MOD Single : A 49 SER OG : rot -160:sc= 0.388 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 1:sc= 1.43 USER MOD Single : A 63 THR OG1 : rot 152:sc= 0.0339 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -154:sc= -4.94! (180deg=-7.24!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 149:sc= 1.53 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -0.865 F(o=-4.5,f=-0.87) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -128:sc= -1.55 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc=-0.00653 X(o=-0.0065,f=0) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.84 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.916 14.894 -11.048 1.00 0.00 N ATOM 2 CA GLY A 1 16.936 14.694 -12.487 1.00 0.00 C ATOM 3 C GLY A 1 15.597 14.145 -12.984 1.00 0.00 C ATOM 4 O GLY A 1 14.553 14.758 -12.769 1.00 0.00 O ATOM 0 H1 GLY A 1 17.836 15.267 -10.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.166 15.572 -10.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.732 13.987 -10.574 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.153 15.638 -12.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.737 14.003 -12.750 1.00 0.00 H new ATOM 8 N SER A 2 15.671 12.995 -13.638 1.00 0.00 N ATOM 9 CA SER A 2 14.478 12.356 -14.166 1.00 0.00 C ATOM 10 C SER A 2 14.277 10.992 -13.503 1.00 0.00 C ATOM 11 O SER A 2 15.132 10.115 -13.607 1.00 0.00 O ATOM 12 CB SER A 2 14.564 12.200 -15.686 1.00 0.00 C ATOM 13 OG SER A 2 14.946 13.413 -16.327 1.00 0.00 O ATOM 0 H SER A 2 16.539 12.489 -13.814 1.00 0.00 H new ATOM 0 HA SER A 2 13.622 12.992 -13.941 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.284 11.419 -15.930 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.598 11.875 -16.072 1.00 0.00 H new ATOM 0 HG SER A 2 14.991 13.271 -17.296 1.00 0.00 H new ATOM 19 N SER A 3 13.141 10.857 -12.834 1.00 0.00 N ATOM 20 CA SER A 3 12.817 9.615 -12.153 1.00 0.00 C ATOM 21 C SER A 3 11.850 8.789 -13.004 1.00 0.00 C ATOM 22 O SER A 3 12.171 7.673 -13.408 1.00 0.00 O ATOM 23 CB SER A 3 12.212 9.884 -10.774 1.00 0.00 C ATOM 24 OG SER A 3 13.008 10.786 -10.009 1.00 0.00 O ATOM 0 H SER A 3 12.434 11.587 -12.749 1.00 0.00 H new ATOM 0 HA SER A 3 13.740 9.052 -12.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.210 10.295 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.109 8.943 -10.233 1.00 0.00 H new ATOM 0 HG SER A 3 12.588 10.934 -9.136 1.00 0.00 H new ATOM 30 N GLY A 4 10.685 9.370 -13.251 1.00 0.00 N ATOM 31 CA GLY A 4 9.669 8.701 -14.046 1.00 0.00 C ATOM 32 C GLY A 4 8.404 9.556 -14.151 1.00 0.00 C ATOM 33 O GLY A 4 8.478 10.746 -14.453 1.00 0.00 O ATOM 0 H GLY A 4 10.422 10.296 -12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.058 8.497 -15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.425 7.738 -13.596 1.00 0.00 H new ATOM 37 N SER A 5 7.273 8.916 -13.896 1.00 0.00 N ATOM 38 CA SER A 5 5.994 9.602 -13.957 1.00 0.00 C ATOM 39 C SER A 5 4.923 8.779 -13.240 1.00 0.00 C ATOM 40 O SER A 5 4.262 7.943 -13.855 1.00 0.00 O ATOM 41 CB SER A 5 5.579 9.865 -15.407 1.00 0.00 C ATOM 42 OG SER A 5 5.689 11.243 -15.752 1.00 0.00 O ATOM 0 H SER A 5 7.216 7.929 -13.646 1.00 0.00 H new ATOM 0 HA SER A 5 6.098 10.565 -13.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.203 9.273 -16.076 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.551 9.535 -15.555 1.00 0.00 H new ATOM 0 HG SER A 5 6.556 11.587 -15.452 1.00 0.00 H new ATOM 48 N SER A 6 4.784 9.044 -11.949 1.00 0.00 N ATOM 49 CA SER A 6 3.804 8.337 -11.142 1.00 0.00 C ATOM 50 C SER A 6 2.517 9.159 -11.043 1.00 0.00 C ATOM 51 O SER A 6 2.401 10.214 -11.664 1.00 0.00 O ATOM 52 CB SER A 6 4.353 8.040 -9.745 1.00 0.00 C ATOM 53 OG SER A 6 5.195 9.086 -9.269 1.00 0.00 O ATOM 0 H SER A 6 5.333 9.738 -11.442 1.00 0.00 H new ATOM 0 HA SER A 6 3.584 7.386 -11.626 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.524 7.899 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.913 7.105 -9.767 1.00 0.00 H new ATOM 0 HG SER A 6 6.032 8.704 -8.931 1.00 0.00 H new ATOM 59 N GLY A 7 1.583 8.644 -10.257 1.00 0.00 N ATOM 60 CA GLY A 7 0.309 9.317 -10.068 1.00 0.00 C ATOM 61 C GLY A 7 -0.664 8.438 -9.280 1.00 0.00 C ATOM 62 O GLY A 7 -1.851 8.379 -9.599 1.00 0.00 O ATOM 0 H GLY A 7 1.683 7.768 -9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.465 10.257 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.123 9.565 -11.038 1.00 0.00 H new ATOM 66 N TRP A 8 -0.126 7.778 -8.265 1.00 0.00 N ATOM 67 CA TRP A 8 -0.932 6.906 -7.428 1.00 0.00 C ATOM 68 C TRP A 8 -1.011 7.529 -6.033 1.00 0.00 C ATOM 69 O TRP A 8 -1.705 7.014 -5.158 1.00 0.00 O ATOM 70 CB TRP A 8 -0.368 5.483 -7.417 1.00 0.00 C ATOM 71 CG TRP A 8 1.102 5.393 -7.831 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.630 4.712 -8.857 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.219 6.037 -7.182 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.999 4.869 -8.917 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.369 5.701 -7.866 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.256 6.876 -6.055 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.640 6.158 -7.500 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.534 7.325 -5.702 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.702 6.995 -6.380 1.00 0.00 C ATOM 0 H TRP A 8 0.859 7.830 -8.003 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.943 6.816 -7.826 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.479 5.067 -6.416 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.962 4.862 -8.088 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.056 4.115 -9.550 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.625 4.452 -9.606 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.369 7.152 -5.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.526 5.880 -8.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.619 7.973 -4.842 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.652 7.383 -6.044 1.00 0.00 H new ATOM 90 N TYR A 9 -0.291 8.629 -5.870 1.00 0.00 N ATOM 91 CA TYR A 9 -0.271 9.327 -4.596 1.00 0.00 C ATOM 92 C TYR A 9 -1.609 10.019 -4.329 1.00 0.00 C ATOM 93 O TYR A 9 -1.871 11.097 -4.860 1.00 0.00 O ATOM 94 CB TYR A 9 0.824 10.389 -4.715 1.00 0.00 C ATOM 95 CG TYR A 9 1.166 11.081 -3.393 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.846 10.392 -2.410 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.795 12.394 -3.185 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.169 11.042 -1.166 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.117 13.044 -1.942 1.00 0.00 C ATOM 100 CZ TYR A 9 1.788 12.337 -0.994 1.00 0.00 C ATOM 101 OH TYR A 9 2.092 12.951 0.181 1.00 0.00 O ATOM 0 H TYR A 9 0.283 9.054 -6.599 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.090 8.629 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.725 9.924 -5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.508 11.142 -5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.136 9.365 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.263 12.933 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.701 10.514 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.832 14.071 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 9 1.760 13.873 0.164 1.00 0.00 H new ATOM 111 N HIS A 10 -2.420 9.371 -3.506 1.00 0.00 N ATOM 112 CA HIS A 10 -3.725 9.910 -3.162 1.00 0.00 C ATOM 113 C HIS A 10 -3.552 11.152 -2.286 1.00 0.00 C ATOM 114 O HIS A 10 -4.342 12.091 -2.370 1.00 0.00 O ATOM 115 CB HIS A 10 -4.600 8.840 -2.507 1.00 0.00 C ATOM 116 CG HIS A 10 -4.955 7.692 -3.422 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.097 7.682 -4.203 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.306 6.519 -3.673 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.125 6.548 -4.888 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.015 5.829 -4.558 1.00 0.00 N ATOM 0 H HIS A 10 -2.199 8.477 -3.067 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.246 10.217 -4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.082 8.447 -1.632 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.519 9.305 -2.151 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.798 8.422 -4.244 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.374 6.205 -3.227 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.893 6.246 -5.585 1.00 0.00 H new ATOM 128 N GLY A 11 -2.513 11.118 -1.464 1.00 0.00 N ATOM 129 CA GLY A 11 -2.226 12.229 -0.573 1.00 0.00 C ATOM 130 C GLY A 11 -2.561 11.870 0.876 1.00 0.00 C ATOM 131 O GLY A 11 -1.996 10.930 1.433 1.00 0.00 O ATOM 0 H GLY A 11 -1.859 10.338 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.173 12.499 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.802 13.103 -0.878 1.00 0.00 H new ATOM 135 N HIS A 12 -3.479 12.638 1.446 1.00 0.00 N ATOM 136 CA HIS A 12 -3.895 12.413 2.819 1.00 0.00 C ATOM 137 C HIS A 12 -5.173 11.571 2.837 1.00 0.00 C ATOM 138 O HIS A 12 -6.275 12.110 2.923 1.00 0.00 O ATOM 139 CB HIS A 12 -4.050 13.740 3.565 1.00 0.00 C ATOM 140 CG HIS A 12 -2.878 14.678 3.399 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.681 15.437 2.258 1.00 0.00 N ATOM 142 CD2 HIS A 12 -1.845 14.971 4.239 1.00 0.00 C ATOM 143 CE1 HIS A 12 -1.576 16.151 2.417 1.00 0.00 C ATOM 144 NE2 HIS A 12 -1.059 15.860 3.645 1.00 0.00 N ATOM 0 H HIS A 12 -3.946 13.417 0.981 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.124 11.853 3.348 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.954 14.239 3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.190 13.534 4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.692 14.551 5.222 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.158 16.842 1.700 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.208 16.260 4.041 1.00 0.00 H new ATOM 152 N MET A 13 -4.982 10.262 2.753 1.00 0.00 N ATOM 153 CA MET A 13 -6.105 9.341 2.758 1.00 0.00 C ATOM 154 C MET A 13 -6.196 8.594 4.090 1.00 0.00 C ATOM 155 O MET A 13 -5.177 8.202 4.656 1.00 0.00 O ATOM 156 CB MET A 13 -5.944 8.333 1.617 1.00 0.00 C ATOM 157 CG MET A 13 -7.174 7.430 1.506 1.00 0.00 C ATOM 158 SD MET A 13 -6.873 6.133 0.318 1.00 0.00 S ATOM 159 CE MET A 13 -7.559 6.889 -1.147 1.00 0.00 C ATOM 0 H MET A 13 -4.066 9.818 2.681 1.00 0.00 H new ATOM 0 HA MET A 13 -7.022 9.915 2.622 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.792 8.863 0.677 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.056 7.725 1.787 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.406 6.997 2.479 1.00 0.00 H new ATOM 0 HG3 MET A 13 -8.041 8.018 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.534 6.175 -1.970 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.590 7.185 -0.955 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.972 7.769 -1.411 1.00 0.00 H new ATOM 169 N SER A 14 -7.426 8.420 4.552 1.00 0.00 N ATOM 170 CA SER A 14 -7.663 7.728 5.807 1.00 0.00 C ATOM 171 C SER A 14 -7.575 6.215 5.595 1.00 0.00 C ATOM 172 O SER A 14 -8.215 5.673 4.695 1.00 0.00 O ATOM 173 CB SER A 14 -9.024 8.103 6.395 1.00 0.00 C ATOM 174 OG SER A 14 -9.077 7.884 7.802 1.00 0.00 O ATOM 0 H SER A 14 -8.269 8.747 4.079 1.00 0.00 H new ATOM 0 HA SER A 14 -6.895 8.035 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.234 9.151 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.803 7.517 5.907 1.00 0.00 H new ATOM 0 HG SER A 14 -9.962 8.137 8.139 1.00 0.00 H new ATOM 180 N GLY A 15 -6.777 5.576 6.438 1.00 0.00 N ATOM 181 CA GLY A 15 -6.598 4.137 6.354 1.00 0.00 C ATOM 182 C GLY A 15 -7.924 3.436 6.053 1.00 0.00 C ATOM 183 O GLY A 15 -8.067 2.788 5.017 1.00 0.00 O ATOM 0 H GLY A 15 -6.247 6.029 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.873 3.902 5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.189 3.762 7.293 1.00 0.00 H new ATOM 187 N GLY A 16 -8.861 3.589 6.978 1.00 0.00 N ATOM 188 CA GLY A 16 -10.170 2.978 6.824 1.00 0.00 C ATOM 189 C GLY A 16 -10.722 3.209 5.416 1.00 0.00 C ATOM 190 O GLY A 16 -11.402 2.347 4.863 1.00 0.00 O ATOM 0 H GLY A 16 -8.739 4.127 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.101 1.908 7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.858 3.393 7.561 1.00 0.00 H new ATOM 194 N GLN A 17 -10.408 4.378 4.877 1.00 0.00 N ATOM 195 CA GLN A 17 -10.863 4.734 3.544 1.00 0.00 C ATOM 196 C GLN A 17 -10.213 3.823 2.500 1.00 0.00 C ATOM 197 O GLN A 17 -10.900 3.065 1.818 1.00 0.00 O ATOM 198 CB GLN A 17 -10.577 6.206 3.241 1.00 0.00 C ATOM 199 CG GLN A 17 -11.840 6.921 2.754 1.00 0.00 C ATOM 200 CD GLN A 17 -11.767 8.421 3.045 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.985 8.876 4.156 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.448 9.162 1.988 1.00 0.00 N ATOM 0 H GLN A 17 -9.844 5.091 5.340 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.943 4.592 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.198 6.698 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.797 6.280 2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.963 6.760 1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.716 6.494 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.278 8.717 1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.373 10.175 2.079 1.00 0.00 H new ATOM 211 N ALA A 18 -8.895 3.928 2.409 1.00 0.00 N ATOM 212 CA ALA A 18 -8.144 3.124 1.460 1.00 0.00 C ATOM 213 C ALA A 18 -8.749 1.720 1.398 1.00 0.00 C ATOM 214 O ALA A 18 -9.114 1.244 0.323 1.00 0.00 O ATOM 215 CB ALA A 18 -6.668 3.106 1.861 1.00 0.00 C ATOM 0 H ALA A 18 -8.328 4.558 2.977 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.204 3.554 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.105 2.503 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.279 4.124 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.567 2.678 2.858 1.00 0.00 H new ATOM 221 N GLU A 19 -8.836 1.096 2.563 1.00 0.00 N ATOM 222 CA GLU A 19 -9.390 -0.245 2.655 1.00 0.00 C ATOM 223 C GLU A 19 -10.705 -0.330 1.876 1.00 0.00 C ATOM 224 O GLU A 19 -10.905 -1.254 1.089 1.00 0.00 O ATOM 225 CB GLU A 19 -9.590 -0.657 4.114 1.00 0.00 C ATOM 226 CG GLU A 19 -8.436 -1.536 4.599 1.00 0.00 C ATOM 227 CD GLU A 19 -8.950 -2.687 5.466 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.487 -2.383 6.553 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.793 -3.845 5.023 1.00 0.00 O ATOM 0 H GLU A 19 -8.532 1.494 3.452 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.680 -0.942 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.662 0.232 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.531 -1.197 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.894 -1.936 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.730 -0.933 5.170 1.00 0.00 H new ATOM 236 N THR A 20 -11.566 0.646 2.122 1.00 0.00 N ATOM 237 CA THR A 20 -12.855 0.693 1.454 1.00 0.00 C ATOM 238 C THR A 20 -12.677 1.044 -0.024 1.00 0.00 C ATOM 239 O THR A 20 -13.352 0.481 -0.885 1.00 0.00 O ATOM 240 CB THR A 20 -13.744 1.682 2.210 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.372 0.888 3.213 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.908 2.194 1.358 1.00 0.00 C ATOM 0 H THR A 20 -11.396 1.411 2.775 1.00 0.00 H new ATOM 0 HA THR A 20 -13.343 -0.281 1.468 1.00 0.00 H new ATOM 0 HB THR A 20 -13.142 2.526 2.547 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.966 1.451 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.507 2.892 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.518 2.701 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.529 1.354 1.048 1.00 0.00 H new ATOM 250 N LEU A 21 -11.765 1.971 -0.274 1.00 0.00 N ATOM 251 CA LEU A 21 -11.489 2.404 -1.633 1.00 0.00 C ATOM 252 C LEU A 21 -11.009 1.207 -2.457 1.00 0.00 C ATOM 253 O LEU A 21 -11.628 0.850 -3.459 1.00 0.00 O ATOM 254 CB LEU A 21 -10.513 3.582 -1.634 1.00 0.00 C ATOM 255 CG LEU A 21 -11.105 4.943 -1.260 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.705 5.343 0.161 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.716 6.009 -2.287 1.00 0.00 C ATOM 0 H LEU A 21 -11.207 2.435 0.443 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.398 2.774 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.703 3.357 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.070 3.661 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.192 4.860 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.139 6.314 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.072 4.597 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.619 5.404 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.149 6.967 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.630 6.098 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.091 5.722 -3.269 1.00 0.00 H new ATOM 269 N LEU A 22 -9.911 0.621 -2.005 1.00 0.00 N ATOM 270 CA LEU A 22 -9.341 -0.528 -2.688 1.00 0.00 C ATOM 271 C LEU A 22 -10.432 -1.578 -2.909 1.00 0.00 C ATOM 272 O LEU A 22 -10.492 -2.202 -3.967 1.00 0.00 O ATOM 273 CB LEU A 22 -8.125 -1.057 -1.923 1.00 0.00 C ATOM 274 CG LEU A 22 -6.819 -0.286 -2.126 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.855 -0.526 -0.962 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.184 -0.628 -3.475 1.00 0.00 C ATOM 0 H LEU A 22 -9.400 0.920 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.970 -0.241 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.362 -1.058 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.961 -2.095 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.050 0.779 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.935 0.033 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.317 -0.193 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.626 -1.589 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.257 -0.066 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.969 -1.696 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.873 -0.366 -4.278 1.00 0.00 H new ATOM 288 N GLN A 23 -11.267 -1.740 -1.894 1.00 0.00 N ATOM 289 CA GLN A 23 -12.353 -2.703 -1.964 1.00 0.00 C ATOM 290 C GLN A 23 -13.397 -2.252 -2.988 1.00 0.00 C ATOM 291 O GLN A 23 -13.801 -3.030 -3.851 1.00 0.00 O ATOM 292 CB GLN A 23 -12.989 -2.913 -0.589 1.00 0.00 C ATOM 293 CG GLN A 23 -12.148 -3.865 0.265 1.00 0.00 C ATOM 294 CD GLN A 23 -12.857 -4.194 1.580 1.00 0.00 C ATOM 295 OE1 GLN A 23 -14.003 -3.839 1.803 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.114 -4.891 2.435 1.00 0.00 N ATOM 0 H GLN A 23 -11.214 -1.220 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.944 -3.660 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.089 -1.954 -0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.994 -3.317 -0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.957 -4.784 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.179 -3.412 0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.161 -5.156 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.497 -5.161 3.341 1.00 0.00 H new ATOM 305 N ALA A 24 -13.803 -0.998 -2.858 1.00 0.00 N ATOM 306 CA ALA A 24 -14.792 -0.434 -3.761 1.00 0.00 C ATOM 307 C ALA A 24 -14.452 -0.836 -5.198 1.00 0.00 C ATOM 308 O ALA A 24 -15.347 -1.070 -6.009 1.00 0.00 O ATOM 309 CB ALA A 24 -14.845 1.084 -3.577 1.00 0.00 C ATOM 0 H ALA A 24 -13.465 -0.356 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.784 -0.824 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.587 1.507 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.119 1.316 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.867 1.512 -3.797 1.00 0.00 H new ATOM 315 N LYS A 25 -13.157 -0.905 -5.468 1.00 0.00 N ATOM 316 CA LYS A 25 -12.688 -1.275 -6.793 1.00 0.00 C ATOM 317 C LYS A 25 -12.771 -2.794 -6.953 1.00 0.00 C ATOM 318 O LYS A 25 -13.508 -3.293 -7.802 1.00 0.00 O ATOM 319 CB LYS A 25 -11.290 -0.705 -7.045 1.00 0.00 C ATOM 320 CG LYS A 25 -11.194 -0.085 -8.440 1.00 0.00 C ATOM 321 CD LYS A 25 -11.661 1.372 -8.426 1.00 0.00 C ATOM 322 CE LYS A 25 -12.449 1.707 -9.693 1.00 0.00 C ATOM 323 NZ LYS A 25 -11.690 2.655 -10.540 1.00 0.00 N ATOM 0 H LYS A 25 -12.418 -0.711 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.328 -0.838 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.059 0.048 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.547 -1.496 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.165 -0.137 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.802 -0.659 -9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.283 1.550 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.798 2.033 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.655 0.794 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.413 2.141 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.239 2.872 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.516 3.532 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.781 2.228 -10.811 1.00 0.00 H new ATOM 337 N GLY A 26 -12.005 -3.487 -6.123 1.00 0.00 N ATOM 338 CA GLY A 26 -11.983 -4.939 -6.162 1.00 0.00 C ATOM 339 C GLY A 26 -10.730 -5.450 -6.877 1.00 0.00 C ATOM 340 O GLY A 26 -10.202 -6.506 -6.534 1.00 0.00 O ATOM 0 H GLY A 26 -11.395 -3.070 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.013 -5.334 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.873 -5.306 -6.673 1.00 0.00 H new ATOM 344 N GLU A 27 -10.292 -4.676 -7.859 1.00 0.00 N ATOM 345 CA GLU A 27 -9.112 -5.036 -8.626 1.00 0.00 C ATOM 346 C GLU A 27 -8.057 -5.665 -7.713 1.00 0.00 C ATOM 347 O GLU A 27 -7.536 -5.006 -6.815 1.00 0.00 O ATOM 348 CB GLU A 27 -8.544 -3.821 -9.363 1.00 0.00 C ATOM 349 CG GLU A 27 -9.459 -3.403 -10.517 1.00 0.00 C ATOM 350 CD GLU A 27 -8.804 -2.314 -11.369 1.00 0.00 C ATOM 351 OE1 GLU A 27 -7.746 -1.811 -10.932 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.375 -2.009 -12.437 1.00 0.00 O ATOM 0 H GLU A 27 -10.733 -3.801 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.402 -5.772 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.428 -2.990 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.551 -4.056 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.685 -4.269 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.407 -3.039 -10.121 1.00 0.00 H new ATOM 359 N PRO A 28 -7.767 -6.966 -7.982 1.00 0.00 N ATOM 360 CA PRO A 28 -6.784 -7.692 -7.195 1.00 0.00 C ATOM 361 C PRO A 28 -5.362 -7.263 -7.563 1.00 0.00 C ATOM 362 O PRO A 28 -5.053 -7.070 -8.738 1.00 0.00 O ATOM 363 CB PRO A 28 -7.055 -9.159 -7.483 1.00 0.00 C ATOM 364 CG PRO A 28 -7.866 -9.189 -8.768 1.00 0.00 C ATOM 365 CD PRO A 28 -8.365 -7.778 -9.038 1.00 0.00 C ATOM 0 HA PRO A 28 -6.866 -7.488 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.123 -9.713 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.604 -9.623 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.254 -9.543 -9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.705 -9.879 -8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.059 -7.432 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.453 -7.730 -9.006 1.00 0.00 H new ATOM 373 N TRP A 29 -4.536 -7.125 -6.537 1.00 0.00 N ATOM 374 CA TRP A 29 -3.154 -6.723 -6.738 1.00 0.00 C ATOM 375 C TRP A 29 -3.143 -5.238 -7.108 1.00 0.00 C ATOM 376 O TRP A 29 -2.517 -4.845 -8.091 1.00 0.00 O ATOM 377 CB TRP A 29 -2.472 -7.605 -7.785 1.00 0.00 C ATOM 378 CG TRP A 29 -2.587 -9.105 -7.505 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.980 -10.073 -8.344 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.288 -9.773 -6.261 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.956 -11.311 -7.734 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.522 -11.122 -6.427 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.835 -9.253 -5.036 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.331 -12.065 -5.410 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.649 -10.208 -4.029 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.880 -11.570 -4.180 1.00 0.00 C ATOM 0 H TRP A 29 -4.797 -7.284 -5.564 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.576 -6.859 -5.824 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.907 -7.394 -8.762 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.417 -7.336 -7.841 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.278 -9.906 -9.368 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.210 -12.201 -8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.646 -8.201 -4.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.521 -13.117 -5.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.301 -9.862 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.712 -12.244 -3.353 1.00 0.00 H new ATOM 397 N THR A 30 -3.843 -4.455 -6.301 1.00 0.00 N ATOM 398 CA THR A 30 -3.922 -3.022 -6.532 1.00 0.00 C ATOM 399 C THR A 30 -3.325 -2.258 -5.349 1.00 0.00 C ATOM 400 O THR A 30 -3.805 -2.376 -4.223 1.00 0.00 O ATOM 401 CB THR A 30 -5.385 -2.668 -6.809 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.823 -3.680 -7.710 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.532 -1.370 -7.606 1.00 0.00 C ATOM 0 H THR A 30 -4.361 -4.785 -5.486 1.00 0.00 H new ATOM 0 HA THR A 30 -3.332 -2.728 -7.400 1.00 0.00 H new ATOM 0 HB THR A 30 -5.921 -2.577 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.197 -4.430 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.589 -1.165 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.088 -0.547 -7.046 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.024 -1.472 -8.565 1.00 0.00 H new ATOM 411 N PHE A 31 -2.286 -1.491 -5.645 1.00 0.00 N ATOM 412 CA PHE A 31 -1.618 -0.707 -4.620 1.00 0.00 C ATOM 413 C PHE A 31 -1.947 0.780 -4.766 1.00 0.00 C ATOM 414 O PHE A 31 -2.543 1.193 -5.759 1.00 0.00 O ATOM 415 CB PHE A 31 -0.113 -0.906 -4.815 1.00 0.00 C ATOM 416 CG PHE A 31 0.514 0.048 -5.832 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.294 -0.134 -7.162 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.292 1.080 -5.408 1.00 0.00 C ATOM 419 CE1 PHE A 31 0.877 0.752 -8.107 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.875 1.966 -6.352 1.00 0.00 C ATOM 421 CZ PHE A 31 1.655 1.783 -7.682 1.00 0.00 C ATOM 0 H PHE A 31 -1.890 -1.396 -6.580 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.946 -1.029 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.387 -0.778 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.069 -1.932 -5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.324 -0.953 -7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.466 1.226 -4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.702 0.607 -9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.493 2.785 -6.014 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.098 2.457 -8.400 1.00 0.00 H new ATOM 431 N LEU A 32 -1.543 1.544 -3.761 1.00 0.00 N ATOM 432 CA LEU A 32 -1.787 2.976 -3.765 1.00 0.00 C ATOM 433 C LEU A 32 -0.949 3.635 -2.667 1.00 0.00 C ATOM 434 O LEU A 32 -0.867 3.122 -1.552 1.00 0.00 O ATOM 435 CB LEU A 32 -3.285 3.265 -3.652 1.00 0.00 C ATOM 436 CG LEU A 32 -3.949 2.859 -2.334 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.580 3.832 -1.212 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.463 2.724 -2.501 1.00 0.00 C ATOM 0 H LEU A 32 -1.048 1.198 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.472 3.413 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.441 4.334 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.796 2.752 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.569 1.878 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.065 3.521 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.499 3.834 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.913 4.836 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.910 2.435 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.880 3.678 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.680 1.963 -3.250 1.00 0.00 H new ATOM 450 N VAL A 33 -0.348 4.761 -3.021 1.00 0.00 N ATOM 451 CA VAL A 33 0.480 5.496 -2.080 1.00 0.00 C ATOM 452 C VAL A 33 -0.349 6.611 -1.440 1.00 0.00 C ATOM 453 O VAL A 33 -0.924 7.442 -2.141 1.00 0.00 O ATOM 454 CB VAL A 33 1.737 6.013 -2.782 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.748 6.553 -1.769 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.365 4.924 -3.655 1.00 0.00 C ATOM 0 H VAL A 33 -0.418 5.183 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 33 0.819 4.841 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 33 1.442 6.836 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.632 6.914 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.299 7.373 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.034 5.757 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.257 5.318 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.638 4.071 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.648 4.606 -4.412 1.00 0.00 H new ATOM 466 N ARG A 34 -0.383 6.593 -0.116 1.00 0.00 N ATOM 467 CA ARG A 34 -1.132 7.593 0.627 1.00 0.00 C ATOM 468 C ARG A 34 -0.432 7.906 1.951 1.00 0.00 C ATOM 469 O ARG A 34 0.116 7.011 2.594 1.00 0.00 O ATOM 470 CB ARG A 34 -2.557 7.114 0.912 1.00 0.00 C ATOM 471 CG ARG A 34 -2.548 5.833 1.749 1.00 0.00 C ATOM 472 CD ARG A 34 -3.546 5.926 2.905 1.00 0.00 C ATOM 473 NE ARG A 34 -3.214 4.924 3.942 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.542 5.045 5.235 1.00 0.00 C ATOM 475 NH1 ARG A 34 -4.212 6.125 5.659 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.200 4.085 6.106 1.00 0.00 N ATOM 0 H ARG A 34 0.096 5.902 0.462 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.179 8.494 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.108 7.893 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.079 6.935 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.796 4.980 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.546 5.658 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.525 6.927 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.558 5.759 2.537 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.704 4.089 3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.473 6.856 4.997 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.461 6.216 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.690 3.262 5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.450 4.177 7.091 1.00 0.00 H new ATOM 490 N GLU A 35 -0.472 9.178 2.319 1.00 0.00 N ATOM 491 CA GLU A 35 0.152 9.620 3.554 1.00 0.00 C ATOM 492 C GLU A 35 -0.626 9.090 4.761 1.00 0.00 C ATOM 493 O GLU A 35 -1.837 8.889 4.683 1.00 0.00 O ATOM 494 CB GLU A 35 0.261 11.145 3.599 1.00 0.00 C ATOM 495 CG GLU A 35 1.692 11.583 3.920 1.00 0.00 C ATOM 496 CD GLU A 35 1.739 12.388 5.221 1.00 0.00 C ATOM 497 OE1 GLU A 35 1.202 13.516 5.210 1.00 0.00 O ATOM 498 OE2 GLU A 35 2.312 11.856 6.196 1.00 0.00 O ATOM 0 H GLU A 35 -0.927 9.917 1.783 1.00 0.00 H new ATOM 0 HA GLU A 35 1.163 9.216 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.045 11.564 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.422 11.540 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.334 10.706 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.084 12.185 3.101 1.00 0.00 H new ATOM 505 N SER A 36 0.101 8.880 5.848 1.00 0.00 N ATOM 506 CA SER A 36 -0.506 8.379 7.069 1.00 0.00 C ATOM 507 C SER A 36 -1.115 9.535 7.864 1.00 0.00 C ATOM 508 O SER A 36 -0.458 10.549 8.093 1.00 0.00 O ATOM 509 CB SER A 36 0.517 7.627 7.924 1.00 0.00 C ATOM 510 OG SER A 36 -0.073 6.537 8.628 1.00 0.00 O ATOM 0 H SER A 36 1.105 9.048 5.909 1.00 0.00 H new ATOM 0 HA SER A 36 -1.296 7.679 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.319 7.255 7.286 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.970 8.316 8.637 1.00 0.00 H new ATOM 0 HG SER A 36 0.613 6.082 9.160 1.00 0.00 H new ATOM 516 N LEU A 37 -2.364 9.343 8.263 1.00 0.00 N ATOM 517 CA LEU A 37 -3.069 10.358 9.028 1.00 0.00 C ATOM 518 C LEU A 37 -2.592 10.319 10.481 1.00 0.00 C ATOM 519 O LEU A 37 -2.488 11.357 11.132 1.00 0.00 O ATOM 520 CB LEU A 37 -4.582 10.190 8.873 1.00 0.00 C ATOM 521 CG LEU A 37 -5.345 11.418 8.371 1.00 0.00 C ATOM 522 CD1 LEU A 37 -4.844 11.849 6.991 1.00 0.00 C ATOM 523 CD2 LEU A 37 -6.854 11.167 8.380 1.00 0.00 C ATOM 0 H LEU A 37 -2.906 8.500 8.071 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.840 11.352 8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.767 9.365 8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.996 9.899 9.838 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.152 12.244 9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.403 12.723 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.784 12.096 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.988 11.034 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.373 12.055 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.086 10.322 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.180 10.945 9.396 1.00 0.00 H new ATOM 535 N SER A 38 -2.315 9.110 10.947 1.00 0.00 N ATOM 536 CA SER A 38 -1.851 8.922 12.311 1.00 0.00 C ATOM 537 C SER A 38 -0.367 9.277 12.413 1.00 0.00 C ATOM 538 O SER A 38 0.086 9.781 13.440 1.00 0.00 O ATOM 539 CB SER A 38 -2.086 7.484 12.780 1.00 0.00 C ATOM 540 OG SER A 38 -3.209 7.384 13.651 1.00 0.00 O ATOM 0 H SER A 38 -2.403 8.251 10.404 1.00 0.00 H new ATOM 0 HA SER A 38 -2.422 9.585 12.960 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.241 6.841 11.914 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.196 7.120 13.293 1.00 0.00 H new ATOM 0 HG SER A 38 -3.327 6.451 13.927 1.00 0.00 H new ATOM 546 N GLN A 39 0.351 9.001 11.334 1.00 0.00 N ATOM 547 CA GLN A 39 1.775 9.285 11.288 1.00 0.00 C ATOM 548 C GLN A 39 2.061 10.403 10.284 1.00 0.00 C ATOM 549 O GLN A 39 2.163 10.153 9.084 1.00 0.00 O ATOM 550 CB GLN A 39 2.575 8.026 10.950 1.00 0.00 C ATOM 551 CG GLN A 39 3.132 7.373 12.217 1.00 0.00 C ATOM 552 CD GLN A 39 2.002 6.919 13.143 1.00 0.00 C ATOM 553 OE1 GLN A 39 1.069 6.243 12.741 1.00 0.00 O ATOM 554 NE2 GLN A 39 2.136 7.327 14.401 1.00 0.00 N ATOM 0 H GLN A 39 -0.028 8.583 10.484 1.00 0.00 H new ATOM 0 HA GLN A 39 2.091 9.621 12.276 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.938 7.317 10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.394 8.281 10.278 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.751 6.518 11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.775 8.079 12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.942 7.891 14.671 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.433 7.076 15.096 1.00 0.00 H new ATOM 563 N PRO A 40 2.187 11.644 10.825 1.00 0.00 N ATOM 564 CA PRO A 40 2.460 12.801 9.990 1.00 0.00 C ATOM 565 C PRO A 40 3.920 12.815 9.532 1.00 0.00 C ATOM 566 O PRO A 40 4.828 12.978 10.346 1.00 0.00 O ATOM 567 CB PRO A 40 2.095 14.001 10.848 1.00 0.00 C ATOM 568 CG PRO A 40 2.075 13.497 12.282 1.00 0.00 C ATOM 569 CD PRO A 40 2.074 11.978 12.242 1.00 0.00 C ATOM 0 HA PRO A 40 1.882 12.798 9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.822 14.804 10.726 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.124 14.405 10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.944 13.864 12.828 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.192 13.866 12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.906 11.566 12.813 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.159 11.571 12.673 1.00 0.00 H new ATOM 577 N GLY A 41 4.101 12.641 8.231 1.00 0.00 N ATOM 578 CA GLY A 41 5.435 12.632 7.656 1.00 0.00 C ATOM 579 C GLY A 41 5.725 11.297 6.966 1.00 0.00 C ATOM 580 O GLY A 41 6.534 11.235 6.041 1.00 0.00 O ATOM 0 H GLY A 41 3.346 12.505 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.531 13.446 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.173 12.809 8.438 1.00 0.00 H new ATOM 584 N ASP A 42 5.049 10.262 7.442 1.00 0.00 N ATOM 585 CA ASP A 42 5.223 8.932 6.883 1.00 0.00 C ATOM 586 C ASP A 42 4.145 8.682 5.826 1.00 0.00 C ATOM 587 O ASP A 42 3.273 9.523 5.613 1.00 0.00 O ATOM 588 CB ASP A 42 5.085 7.858 7.963 1.00 0.00 C ATOM 589 CG ASP A 42 6.106 7.948 9.099 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.237 7.461 8.887 1.00 0.00 O ATOM 591 OD2 ASP A 42 5.732 8.503 10.155 1.00 0.00 O ATOM 0 H ASP A 42 4.379 10.317 8.209 1.00 0.00 H new ATOM 0 HA ASP A 42 6.220 8.878 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.084 7.919 8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.172 6.878 7.493 1.00 0.00 H new ATOM 596 N PHE A 43 4.240 7.522 5.194 1.00 0.00 N ATOM 597 CA PHE A 43 3.283 7.151 4.165 1.00 0.00 C ATOM 598 C PHE A 43 2.836 5.697 4.331 1.00 0.00 C ATOM 599 O PHE A 43 3.511 4.908 4.990 1.00 0.00 O ATOM 600 CB PHE A 43 3.993 7.303 2.818 1.00 0.00 C ATOM 601 CG PHE A 43 4.584 8.694 2.580 1.00 0.00 C ATOM 602 CD1 PHE A 43 5.853 8.972 2.984 1.00 0.00 C ATOM 603 CD2 PHE A 43 3.842 9.652 1.963 1.00 0.00 C ATOM 604 CE1 PHE A 43 6.401 10.263 2.763 1.00 0.00 C ATOM 605 CE2 PHE A 43 4.390 10.943 1.742 1.00 0.00 C ATOM 606 CZ PHE A 43 5.658 11.221 2.147 1.00 0.00 C ATOM 0 H PHE A 43 4.964 6.827 5.374 1.00 0.00 H new ATOM 0 HA PHE A 43 2.399 7.785 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.792 6.564 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.287 7.078 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.443 8.211 3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.835 9.431 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.408 10.484 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.800 11.704 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.075 12.203 1.979 1.00 0.00 H new ATOM 616 N VAL A 44 1.701 5.387 3.722 1.00 0.00 N ATOM 617 CA VAL A 44 1.156 4.042 3.794 1.00 0.00 C ATOM 618 C VAL A 44 0.976 3.493 2.378 1.00 0.00 C ATOM 619 O VAL A 44 0.689 4.245 1.448 1.00 0.00 O ATOM 620 CB VAL A 44 -0.143 4.047 4.603 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.708 2.632 4.740 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.068 4.689 5.976 1.00 0.00 C ATOM 0 H VAL A 44 1.144 6.044 3.176 1.00 0.00 H new ATOM 0 HA VAL A 44 1.845 3.378 4.315 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.873 4.648 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.631 2.663 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.914 2.225 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.018 1.998 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.871 4.680 6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.821 4.127 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.404 5.718 5.849 1.00 0.00 H new ATOM 632 N LEU A 45 1.152 2.185 2.258 1.00 0.00 N ATOM 633 CA LEU A 45 1.012 1.526 0.970 1.00 0.00 C ATOM 634 C LEU A 45 -0.034 0.415 1.081 1.00 0.00 C ATOM 635 O LEU A 45 0.286 -0.708 1.467 1.00 0.00 O ATOM 636 CB LEU A 45 2.373 1.041 0.467 1.00 0.00 C ATOM 637 CG LEU A 45 2.363 0.269 -0.854 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.805 1.130 -1.989 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.754 -0.278 -1.180 1.00 0.00 C ATOM 0 H LEU A 45 1.390 1.564 3.031 1.00 0.00 H new ATOM 0 HA LEU A 45 0.652 2.229 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.026 1.906 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.816 0.405 1.233 1.00 0.00 H new ATOM 0 HG LEU A 45 1.698 -0.588 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.809 0.557 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.784 1.428 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.424 2.019 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.719 -0.822 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.460 0.549 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.076 -0.951 -0.385 1.00 0.00 H new ATOM 651 N SER A 46 -1.264 0.768 0.737 1.00 0.00 N ATOM 652 CA SER A 46 -2.359 -0.185 0.793 1.00 0.00 C ATOM 653 C SER A 46 -2.460 -0.945 -0.531 1.00 0.00 C ATOM 654 O SER A 46 -2.673 -0.342 -1.582 1.00 0.00 O ATOM 655 CB SER A 46 -3.683 0.515 1.105 1.00 0.00 C ATOM 656 OG SER A 46 -3.527 1.544 2.078 1.00 0.00 O ATOM 0 H SER A 46 -1.526 1.701 0.419 1.00 0.00 H new ATOM 0 HA SER A 46 -2.155 -0.893 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.092 0.941 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.405 -0.218 1.465 1.00 0.00 H new ATOM 0 HG SER A 46 -3.347 1.142 2.953 1.00 0.00 H new ATOM 662 N VAL A 47 -2.302 -2.257 -0.437 1.00 0.00 N ATOM 663 CA VAL A 47 -2.373 -3.106 -1.615 1.00 0.00 C ATOM 664 C VAL A 47 -3.497 -4.128 -1.435 1.00 0.00 C ATOM 665 O VAL A 47 -3.612 -4.750 -0.380 1.00 0.00 O ATOM 666 CB VAL A 47 -1.012 -3.754 -1.875 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.124 -4.863 -2.923 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.023 -2.707 -2.294 1.00 0.00 C ATOM 0 H VAL A 47 -2.125 -2.753 0.436 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.611 -2.514 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.673 -4.206 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.143 -5.307 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.814 -5.629 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.496 -4.444 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.982 -3.194 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.309 -2.213 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.134 -1.968 -1.501 1.00 0.00 H new ATOM 678 N LEU A 48 -4.298 -4.270 -2.480 1.00 0.00 N ATOM 679 CA LEU A 48 -5.409 -5.206 -2.451 1.00 0.00 C ATOM 680 C LEU A 48 -4.904 -6.602 -2.824 1.00 0.00 C ATOM 681 O LEU A 48 -4.280 -6.781 -3.868 1.00 0.00 O ATOM 682 CB LEU A 48 -6.552 -4.709 -3.337 1.00 0.00 C ATOM 683 CG LEU A 48 -7.950 -5.216 -2.976 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.379 -4.706 -1.599 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.963 -4.852 -4.064 1.00 0.00 C ATOM 0 H LEU A 48 -4.200 -3.752 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.823 -5.274 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.563 -3.620 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.338 -4.995 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.915 -6.304 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.376 -5.081 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.674 -5.057 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.393 -3.616 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.948 -5.224 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.003 -3.769 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.661 -5.304 -5.009 1.00 0.00 H new ATOM 697 N SER A 49 -5.193 -7.554 -1.949 1.00 0.00 N ATOM 698 CA SER A 49 -4.776 -8.927 -2.173 1.00 0.00 C ATOM 699 C SER A 49 -5.860 -9.684 -2.943 1.00 0.00 C ATOM 700 O SER A 49 -7.020 -9.277 -2.950 1.00 0.00 O ATOM 701 CB SER A 49 -4.474 -9.634 -0.850 1.00 0.00 C ATOM 702 OG SER A 49 -5.545 -10.480 -0.440 1.00 0.00 O ATOM 0 H SER A 49 -5.711 -7.401 -1.084 1.00 0.00 H new ATOM 0 HA SER A 49 -3.860 -8.914 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.564 -10.225 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.283 -8.890 -0.077 1.00 0.00 H new ATOM 0 HG SER A 49 -5.471 -10.659 0.521 1.00 0.00 H new ATOM 708 N ASP A 50 -5.442 -10.772 -3.574 1.00 0.00 N ATOM 709 CA ASP A 50 -6.363 -11.589 -4.346 1.00 0.00 C ATOM 710 C ASP A 50 -6.948 -12.680 -3.446 1.00 0.00 C ATOM 711 O ASP A 50 -7.351 -13.737 -3.928 1.00 0.00 O ATOM 712 CB ASP A 50 -5.647 -12.273 -5.513 1.00 0.00 C ATOM 713 CG ASP A 50 -4.860 -13.530 -5.141 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.458 -13.621 -3.961 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.677 -14.374 -6.045 1.00 0.00 O ATOM 0 H ASP A 50 -4.478 -11.106 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.146 -10.938 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.387 -12.536 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.964 -11.557 -5.970 1.00 0.00 H new ATOM 720 N GLN A 51 -6.974 -12.385 -2.154 1.00 0.00 N ATOM 721 CA GLN A 51 -7.503 -13.327 -1.183 1.00 0.00 C ATOM 722 C GLN A 51 -8.717 -12.730 -0.469 1.00 0.00 C ATOM 723 O GLN A 51 -8.588 -11.762 0.279 1.00 0.00 O ATOM 724 CB GLN A 51 -6.426 -13.741 -0.178 1.00 0.00 C ATOM 725 CG GLN A 51 -5.469 -14.766 -0.790 1.00 0.00 C ATOM 726 CD GLN A 51 -5.149 -15.881 0.207 1.00 0.00 C ATOM 727 OE1 GLN A 51 -5.943 -16.773 0.457 1.00 0.00 O ATOM 728 NE2 GLN A 51 -3.944 -15.782 0.761 1.00 0.00 N ATOM 0 H GLN A 51 -6.637 -11.507 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.823 -14.223 -1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.866 -12.862 0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.896 -14.162 0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.914 -15.193 -1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.547 -14.271 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.328 -15.010 0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.636 -16.478 1.440 1.00 0.00 H new ATOM 737 N PRO A 52 -9.900 -13.347 -0.733 1.00 0.00 N ATOM 738 CA PRO A 52 -11.137 -12.886 -0.125 1.00 0.00 C ATOM 739 C PRO A 52 -11.211 -13.297 1.346 1.00 0.00 C ATOM 740 O PRO A 52 -10.355 -14.035 1.832 1.00 0.00 O ATOM 741 CB PRO A 52 -12.242 -13.498 -0.970 1.00 0.00 C ATOM 742 CG PRO A 52 -11.599 -14.647 -1.729 1.00 0.00 C ATOM 743 CD PRO A 52 -10.091 -14.495 -1.614 1.00 0.00 C ATOM 0 HA PRO A 52 -11.220 -11.799 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.061 -13.853 -0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.661 -12.763 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.919 -15.604 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.906 -14.633 -2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.633 -15.393 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.635 -14.326 -2.589 1.00 0.00 H new ATOM 751 N LYS A 53 -12.242 -12.801 2.015 1.00 0.00 N ATOM 752 CA LYS A 53 -12.439 -13.108 3.422 1.00 0.00 C ATOM 753 C LYS A 53 -13.331 -14.344 3.550 1.00 0.00 C ATOM 754 O LYS A 53 -13.043 -15.244 4.337 1.00 0.00 O ATOM 755 CB LYS A 53 -12.973 -11.884 4.167 1.00 0.00 C ATOM 756 CG LYS A 53 -11.923 -10.772 4.221 1.00 0.00 C ATOM 757 CD LYS A 53 -12.530 -9.469 4.743 1.00 0.00 C ATOM 758 CE LYS A 53 -12.700 -9.514 6.263 1.00 0.00 C ATOM 759 NZ LYS A 53 -13.879 -8.720 6.676 1.00 0.00 N ATOM 0 H LYS A 53 -12.950 -12.189 1.609 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.488 -13.351 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.872 -11.516 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.260 -12.167 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.098 -11.077 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.508 -10.611 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.890 -8.630 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.497 -9.299 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.816 -10.547 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.804 -9.125 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.980 -8.761 7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.753 -7.731 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.734 -9.109 6.229 1.00 0.00 H new ATOM 773 N ALA A 54 -14.397 -14.349 2.763 1.00 0.00 N ATOM 774 CA ALA A 54 -15.334 -15.460 2.778 1.00 0.00 C ATOM 775 C ALA A 54 -15.311 -16.159 1.418 1.00 0.00 C ATOM 776 O ALA A 54 -15.601 -17.350 1.323 1.00 0.00 O ATOM 777 CB ALA A 54 -16.727 -14.948 3.148 1.00 0.00 C ATOM 0 H ALA A 54 -14.633 -13.601 2.111 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.047 -16.195 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.430 -15.781 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.695 -14.487 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.050 -14.210 2.414 1.00 0.00 H new ATOM 783 N GLY A 55 -14.964 -15.388 0.397 1.00 0.00 N ATOM 784 CA GLY A 55 -14.900 -15.918 -0.954 1.00 0.00 C ATOM 785 C GLY A 55 -15.655 -15.017 -1.933 1.00 0.00 C ATOM 786 O GLY A 55 -15.410 -13.813 -1.989 1.00 0.00 O ATOM 0 H GLY A 55 -14.724 -14.400 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.859 -16.007 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.326 -16.921 -0.975 1.00 0.00 H new ATOM 790 N PRO A 56 -16.582 -15.651 -2.701 1.00 0.00 N ATOM 791 CA PRO A 56 -17.374 -14.919 -3.675 1.00 0.00 C ATOM 792 C PRO A 56 -18.460 -14.091 -2.987 1.00 0.00 C ATOM 793 O PRO A 56 -19.329 -14.639 -2.310 1.00 0.00 O ATOM 794 CB PRO A 56 -17.937 -15.983 -4.603 1.00 0.00 C ATOM 795 CG PRO A 56 -17.823 -17.298 -3.848 1.00 0.00 C ATOM 796 CD PRO A 56 -16.898 -17.075 -2.662 1.00 0.00 C ATOM 0 HA PRO A 56 -16.786 -14.192 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.975 -15.768 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.379 -16.020 -5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.804 -17.630 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.429 -18.079 -4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.383 -17.347 -1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.997 -17.683 -2.743 1.00 0.00 H new ATOM 804 N GLY A 57 -18.376 -12.783 -3.183 1.00 0.00 N ATOM 805 CA GLY A 57 -19.342 -11.873 -2.590 1.00 0.00 C ATOM 806 C GLY A 57 -18.747 -11.159 -1.375 1.00 0.00 C ATOM 807 O GLY A 57 -19.410 -10.332 -0.751 1.00 0.00 O ATOM 0 H GLY A 57 -17.654 -12.332 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.657 -11.138 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.233 -12.426 -2.291 1.00 0.00 H new ATOM 811 N SER A 58 -17.504 -11.504 -1.076 1.00 0.00 N ATOM 812 CA SER A 58 -16.812 -10.906 0.054 1.00 0.00 C ATOM 813 C SER A 58 -15.694 -9.988 -0.443 1.00 0.00 C ATOM 814 O SER A 58 -15.166 -10.183 -1.537 1.00 0.00 O ATOM 815 CB SER A 58 -16.243 -11.981 0.983 1.00 0.00 C ATOM 816 OG SER A 58 -15.406 -12.900 0.286 1.00 0.00 O ATOM 0 H SER A 58 -16.957 -12.190 -1.596 1.00 0.00 H new ATOM 0 HA SER A 58 -17.531 -10.316 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.673 -11.506 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.062 -12.523 1.455 1.00 0.00 H new ATOM 0 HG SER A 58 -15.351 -12.641 -0.658 1.00 0.00 H new ATOM 822 N PRO A 59 -15.357 -8.980 0.406 1.00 0.00 N ATOM 823 CA PRO A 59 -14.312 -8.032 0.063 1.00 0.00 C ATOM 824 C PRO A 59 -12.927 -8.665 0.211 1.00 0.00 C ATOM 825 O PRO A 59 -12.688 -9.434 1.141 1.00 0.00 O ATOM 826 CB PRO A 59 -14.528 -6.853 0.999 1.00 0.00 C ATOM 827 CG PRO A 59 -15.390 -7.377 2.136 1.00 0.00 C ATOM 828 CD PRO A 59 -15.961 -8.719 1.709 1.00 0.00 C ATOM 0 HA PRO A 59 -14.360 -7.712 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.578 -6.472 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.021 -6.029 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.798 -7.486 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.193 -6.675 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.711 -9.502 2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.048 -8.684 1.642 1.00 0.00 H new ATOM 836 N LEU A 60 -12.050 -8.318 -0.720 1.00 0.00 N ATOM 837 CA LEU A 60 -10.695 -8.843 -0.705 1.00 0.00 C ATOM 838 C LEU A 60 -9.875 -8.097 0.349 1.00 0.00 C ATOM 839 O LEU A 60 -9.806 -6.869 0.332 1.00 0.00 O ATOM 840 CB LEU A 60 -10.086 -8.792 -2.107 1.00 0.00 C ATOM 841 CG LEU A 60 -10.704 -9.735 -3.142 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.185 -9.423 -4.547 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.475 -11.198 -2.757 1.00 0.00 C ATOM 0 H LEU A 60 -12.252 -7.680 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.697 -9.895 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.168 -7.771 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.023 -9.018 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.781 -9.571 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.640 -10.107 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.443 -8.397 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.102 -9.542 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.924 -11.847 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.405 -11.396 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.933 -11.395 -1.788 1.00 0.00 H new ATOM 855 N ARG A 61 -9.275 -8.870 1.242 1.00 0.00 N ATOM 856 CA ARG A 61 -8.463 -8.297 2.302 1.00 0.00 C ATOM 857 C ARG A 61 -7.560 -7.196 1.743 1.00 0.00 C ATOM 858 O ARG A 61 -7.315 -7.141 0.539 1.00 0.00 O ATOM 859 CB ARG A 61 -7.596 -9.367 2.971 1.00 0.00 C ATOM 860 CG ARG A 61 -8.460 -10.380 3.725 1.00 0.00 C ATOM 861 CD ARG A 61 -7.639 -11.121 4.782 1.00 0.00 C ATOM 862 NE ARG A 61 -7.095 -12.374 4.214 1.00 0.00 N ATOM 863 CZ ARG A 61 -7.839 -13.446 3.909 1.00 0.00 C ATOM 864 NH1 ARG A 61 -9.163 -13.424 4.117 1.00 0.00 N ATOM 865 NH2 ARG A 61 -7.260 -14.540 3.398 1.00 0.00 N ATOM 0 H ARG A 61 -9.335 -9.888 1.253 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.139 -7.875 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.001 -9.882 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.897 -8.895 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.295 -9.867 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.885 -11.096 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.824 -10.487 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.263 -11.345 5.647 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.091 -12.425 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.604 -12.591 4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.729 -14.240 3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.252 -14.558 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.827 -15.356 3.166 1.00 0.00 H new ATOM 879 N VAL A 62 -7.090 -6.346 2.644 1.00 0.00 N ATOM 880 CA VAL A 62 -6.220 -5.249 2.256 1.00 0.00 C ATOM 881 C VAL A 62 -4.883 -5.380 2.989 1.00 0.00 C ATOM 882 O VAL A 62 -4.828 -5.913 4.096 1.00 0.00 O ATOM 883 CB VAL A 62 -6.915 -3.912 2.516 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.008 -2.739 2.138 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.250 -3.834 1.773 1.00 0.00 C ATOM 0 H VAL A 62 -7.295 -6.395 3.642 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.010 -5.288 1.187 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.122 -3.845 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.527 -1.800 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.095 -2.779 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.755 -2.801 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.723 -2.873 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.077 -3.935 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.903 -4.638 2.112 1.00 0.00 H new ATOM 895 N THR A 63 -3.838 -4.884 2.341 1.00 0.00 N ATOM 896 CA THR A 63 -2.506 -4.940 2.918 1.00 0.00 C ATOM 897 C THR A 63 -1.871 -3.548 2.927 1.00 0.00 C ATOM 898 O THR A 63 -1.594 -2.981 1.871 1.00 0.00 O ATOM 899 CB THR A 63 -1.694 -5.973 2.134 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.092 -7.222 2.692 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.196 -5.890 2.434 1.00 0.00 C ATOM 0 H THR A 63 -3.887 -4.442 1.423 1.00 0.00 H new ATOM 0 HA THR A 63 -2.539 -5.255 3.961 1.00 0.00 H new ATOM 0 HB THR A 63 -1.858 -5.830 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.004 -7.925 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.334 -6.644 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.174 -4.900 2.168 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.027 -6.067 3.496 1.00 0.00 H new ATOM 909 N HIS A 64 -1.659 -3.037 4.131 1.00 0.00 N ATOM 910 CA HIS A 64 -1.061 -1.722 4.291 1.00 0.00 C ATOM 911 C HIS A 64 0.429 -1.870 4.604 1.00 0.00 C ATOM 912 O HIS A 64 0.798 -2.338 5.680 1.00 0.00 O ATOM 913 CB HIS A 64 -1.811 -0.910 5.349 1.00 0.00 C ATOM 914 CG HIS A 64 -3.285 -0.745 5.066 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.833 0.442 4.612 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.318 -1.629 5.176 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.138 0.270 4.460 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.437 -1.014 4.811 1.00 0.00 N ATOM 0 H HIS A 64 -1.891 -3.510 5.005 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.147 -1.164 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.690 -1.395 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.354 0.076 5.427 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.319 1.303 4.426 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.239 -2.655 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.841 1.015 4.118 1.00 0.00 H new ATOM 926 N ILE A 65 1.246 -1.463 3.643 1.00 0.00 N ATOM 927 CA ILE A 65 2.688 -1.544 3.802 1.00 0.00 C ATOM 928 C ILE A 65 3.230 -0.171 4.205 1.00 0.00 C ATOM 929 O ILE A 65 3.526 0.660 3.347 1.00 0.00 O ATOM 930 CB ILE A 65 3.335 -2.114 2.538 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.878 -3.553 2.290 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.859 -2.000 2.604 1.00 0.00 C ATOM 933 CD1 ILE A 65 2.000 -3.642 1.040 1.00 0.00 C ATOM 0 H ILE A 65 0.936 -1.076 2.751 1.00 0.00 H new ATOM 0 HA ILE A 65 2.945 -2.236 4.604 1.00 0.00 H new ATOM 0 HB ILE A 65 3.004 -1.520 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.748 -4.200 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.323 -3.916 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.294 -2.412 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.142 -0.952 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.228 -2.555 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.689 -4.675 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.119 -3.013 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.566 -3.301 0.173 1.00 0.00 H new ATOM 945 N LYS A 66 3.345 0.024 5.511 1.00 0.00 N ATOM 946 CA LYS A 66 3.846 1.282 6.037 1.00 0.00 C ATOM 947 C LYS A 66 5.192 1.603 5.384 1.00 0.00 C ATOM 948 O LYS A 66 5.955 0.699 5.048 1.00 0.00 O ATOM 949 CB LYS A 66 3.900 1.239 7.566 1.00 0.00 C ATOM 950 CG LYS A 66 2.493 1.283 8.166 1.00 0.00 C ATOM 951 CD LYS A 66 2.396 2.349 9.259 1.00 0.00 C ATOM 952 CE LYS A 66 1.062 2.252 10.001 1.00 0.00 C ATOM 953 NZ LYS A 66 1.110 1.175 11.015 1.00 0.00 N ATOM 0 H LYS A 66 3.100 -0.668 6.219 1.00 0.00 H new ATOM 0 HA LYS A 66 3.167 2.097 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.409 0.331 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.484 2.082 7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.766 1.494 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.240 0.307 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.218 2.228 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.499 3.340 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.837 3.203 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.258 2.056 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.197 1.123 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.303 0.266 10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.864 1.378 11.702 1.00 0.00 H new ATOM 967 N VAL A 67 5.442 2.895 5.223 1.00 0.00 N ATOM 968 CA VAL A 67 6.682 3.347 4.615 1.00 0.00 C ATOM 969 C VAL A 67 7.349 4.373 5.532 1.00 0.00 C ATOM 970 O VAL A 67 6.848 5.485 5.695 1.00 0.00 O ATOM 971 CB VAL A 67 6.409 3.888 3.210 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.637 4.613 2.654 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.961 2.768 2.269 1.00 0.00 C ATOM 0 H VAL A 67 4.807 3.642 5.503 1.00 0.00 H new ATOM 0 HA VAL A 67 7.377 2.515 4.499 1.00 0.00 H new ATOM 0 HB VAL A 67 5.596 4.611 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.417 4.988 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.893 5.448 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.477 3.920 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.774 3.179 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.743 2.011 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.047 2.314 2.652 1.00 0.00 H new ATOM 983 N MET A 68 8.471 3.965 6.107 1.00 0.00 N ATOM 984 CA MET A 68 9.212 4.835 7.003 1.00 0.00 C ATOM 985 C MET A 68 10.218 5.691 6.230 1.00 0.00 C ATOM 986 O MET A 68 11.070 5.162 5.518 1.00 0.00 O ATOM 987 CB MET A 68 9.953 3.989 8.040 1.00 0.00 C ATOM 988 CG MET A 68 8.972 3.183 8.893 1.00 0.00 C ATOM 989 SD MET A 68 9.546 1.501 9.060 1.00 0.00 S ATOM 990 CE MET A 68 8.440 0.681 7.924 1.00 0.00 C ATOM 0 H MET A 68 8.885 3.043 5.969 1.00 0.00 H new ATOM 0 HA MET A 68 8.505 5.499 7.500 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.643 3.312 7.536 1.00 0.00 H new ATOM 0 HB3 MET A 68 10.552 4.636 8.681 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.872 3.641 9.877 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.984 3.195 8.434 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.323 -0.362 8.219 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.468 1.174 7.942 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.852 0.729 6.916 1.00 0.00 H new ATOM 1000 N CYS A 69 10.085 6.999 6.395 1.00 0.00 N ATOM 1001 CA CYS A 69 10.971 7.933 5.721 1.00 0.00 C ATOM 1002 C CYS A 69 12.004 8.431 6.734 1.00 0.00 C ATOM 1003 O CYS A 69 11.739 9.367 7.487 1.00 0.00 O ATOM 1004 CB CYS A 69 10.196 9.087 5.082 1.00 0.00 C ATOM 1005 SG CYS A 69 11.361 10.352 4.456 1.00 0.00 S ATOM 0 H CYS A 69 9.377 7.434 6.986 1.00 0.00 H new ATOM 0 HA CYS A 69 11.482 7.427 4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.579 8.713 4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.521 9.532 5.813 1.00 0.00 H new ATOM 0 HG CYS A 69 10.693 11.326 3.914 1.00 0.00 H new ATOM 1011 N GLU A 70 13.159 7.782 6.720 1.00 0.00 N ATOM 1012 CA GLU A 70 14.233 8.148 7.628 1.00 0.00 C ATOM 1013 C GLU A 70 15.494 8.508 6.841 1.00 0.00 C ATOM 1014 O GLU A 70 15.884 7.788 5.922 1.00 0.00 O ATOM 1015 CB GLU A 70 14.513 7.023 8.627 1.00 0.00 C ATOM 1016 CG GLU A 70 13.396 6.922 9.667 1.00 0.00 C ATOM 1017 CD GLU A 70 13.971 6.742 11.074 1.00 0.00 C ATOM 1018 OE1 GLU A 70 14.862 5.876 11.216 1.00 0.00 O ATOM 1019 OE2 GLU A 70 13.507 7.473 11.975 1.00 0.00 O ATOM 0 H GLU A 70 13.375 7.005 6.095 1.00 0.00 H new ATOM 0 HA GLU A 70 13.920 9.024 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.607 6.076 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.465 7.204 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.781 7.821 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.745 6.082 9.426 1.00 0.00 H new ATOM 1026 N GLY A 71 16.097 9.622 7.228 1.00 0.00 N ATOM 1027 CA GLY A 71 17.306 10.087 6.570 1.00 0.00 C ATOM 1028 C GLY A 71 17.050 10.367 5.088 1.00 0.00 C ATOM 1029 O GLY A 71 17.976 10.340 4.278 1.00 0.00 O ATOM 0 H GLY A 71 15.771 10.217 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.665 10.993 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.091 9.338 6.672 1.00 0.00 H new ATOM 1033 N GLY A 72 15.789 10.629 4.777 1.00 0.00 N ATOM 1034 CA GLY A 72 15.400 10.914 3.406 1.00 0.00 C ATOM 1035 C GLY A 72 15.126 9.621 2.635 1.00 0.00 C ATOM 1036 O GLY A 72 14.590 9.656 1.528 1.00 0.00 O ATOM 0 H GLY A 72 15.023 10.650 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.509 11.541 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.190 11.478 2.909 1.00 0.00 H new ATOM 1040 N ARG A 73 15.507 8.511 3.249 1.00 0.00 N ATOM 1041 CA ARG A 73 15.309 7.209 2.634 1.00 0.00 C ATOM 1042 C ARG A 73 13.975 6.608 3.081 1.00 0.00 C ATOM 1043 O ARG A 73 13.456 6.958 4.140 1.00 0.00 O ATOM 1044 CB ARG A 73 16.442 6.249 3.000 1.00 0.00 C ATOM 1045 CG ARG A 73 17.574 6.319 1.973 1.00 0.00 C ATOM 1046 CD ARG A 73 18.786 5.508 2.437 1.00 0.00 C ATOM 1047 NE ARG A 73 19.982 5.894 1.656 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.588 7.086 1.748 1.00 0.00 C ATOM 1049 NH1 ARG A 73 20.113 8.015 2.589 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.668 7.349 1.001 1.00 0.00 N ATOM 0 H ARG A 73 15.952 8.486 4.166 1.00 0.00 H new ATOM 0 HA ARG A 73 15.303 7.350 1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.828 6.496 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.057 5.231 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.223 5.939 1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.865 7.358 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.964 5.679 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.590 4.443 2.315 1.00 0.00 H new ATOM 0 HE ARG A 73 20.370 5.210 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.291 7.815 3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 73 20.574 8.922 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 73 22.030 6.642 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.128 8.256 1.072 1.00 0.00 H new ATOM 1064 N TYR A 74 13.458 5.713 2.252 1.00 0.00 N ATOM 1065 CA TYR A 74 12.194 5.060 2.549 1.00 0.00 C ATOM 1066 C TYR A 74 12.386 3.554 2.735 1.00 0.00 C ATOM 1067 O TYR A 74 13.221 2.944 2.068 1.00 0.00 O ATOM 1068 CB TYR A 74 11.299 5.302 1.332 1.00 0.00 C ATOM 1069 CG TYR A 74 10.855 6.756 1.165 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.886 7.282 1.995 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.424 7.543 0.184 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.469 8.652 1.837 1.00 0.00 C ATOM 1073 CE2 TYR A 74 11.007 8.912 0.026 1.00 0.00 C ATOM 1074 CZ TYR A 74 10.050 9.399 0.861 1.00 0.00 C ATOM 1075 OH TYR A 74 9.656 10.692 0.712 1.00 0.00 O ATOM 0 H TYR A 74 13.891 5.425 1.375 1.00 0.00 H new ATOM 0 HA TYR A 74 11.764 5.455 3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.832 4.990 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.415 4.670 1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.440 6.667 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.182 7.132 -0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.712 9.076 2.480 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.444 9.538 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 74 10.157 11.104 -0.023 1.00 0.00 H new ATOM 1085 N THR A 75 11.600 2.997 3.644 1.00 0.00 N ATOM 1086 CA THR A 75 11.673 1.574 3.926 1.00 0.00 C ATOM 1087 C THR A 75 10.343 1.073 4.493 1.00 0.00 C ATOM 1088 O THR A 75 9.602 1.835 5.112 1.00 0.00 O ATOM 1089 CB THR A 75 12.859 1.338 4.863 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.674 0.004 5.329 1.00 0.00 O ATOM 1091 CG2 THR A 75 12.782 2.189 6.132 1.00 0.00 C ATOM 0 H THR A 75 10.909 3.506 4.195 1.00 0.00 H new ATOM 0 HA THR A 75 11.839 0.999 3.015 1.00 0.00 H new ATOM 0 HB THR A 75 13.787 1.557 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.547 -0.408 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.648 1.983 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.773 3.245 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.870 1.947 6.678 1.00 0.00 H new ATOM 1099 N VAL A 76 10.080 -0.204 4.259 1.00 0.00 N ATOM 1100 CA VAL A 76 8.852 -0.815 4.738 1.00 0.00 C ATOM 1101 C VAL A 76 9.122 -1.518 6.070 1.00 0.00 C ATOM 1102 O VAL A 76 8.255 -2.214 6.596 1.00 0.00 O ATOM 1103 CB VAL A 76 8.284 -1.754 3.671 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.087 -1.020 2.344 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.177 -2.983 3.491 1.00 0.00 C ATOM 0 H VAL A 76 10.696 -0.833 3.744 1.00 0.00 H new ATOM 0 HA VAL A 76 8.093 -0.054 4.920 1.00 0.00 H new ATOM 0 HB VAL A 76 7.307 -2.097 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.683 -1.710 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.393 -0.192 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.045 -0.634 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.751 -3.634 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.174 -2.667 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.244 -3.526 4.434 1.00 0.00 H new ATOM 1115 N GLY A 77 10.328 -1.310 6.578 1.00 0.00 N ATOM 1116 CA GLY A 77 10.724 -1.914 7.838 1.00 0.00 C ATOM 1117 C GLY A 77 11.856 -2.922 7.632 1.00 0.00 C ATOM 1118 O GLY A 77 12.109 -3.762 8.494 1.00 0.00 O ATOM 0 H GLY A 77 11.044 -0.731 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.046 -1.138 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.867 -2.412 8.292 1.00 0.00 H new ATOM 1122 N GLY A 78 12.507 -2.806 6.484 1.00 0.00 N ATOM 1123 CA GLY A 78 13.606 -3.697 6.153 1.00 0.00 C ATOM 1124 C GLY A 78 14.895 -2.910 5.908 1.00 0.00 C ATOM 1125 O GLY A 78 14.882 -1.680 5.896 1.00 0.00 O ATOM 0 H GLY A 78 12.294 -2.108 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.759 -4.409 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.355 -4.276 5.264 1.00 0.00 H new ATOM 1129 N LEU A 79 15.976 -3.651 5.718 1.00 0.00 N ATOM 1130 CA LEU A 79 17.271 -3.038 5.474 1.00 0.00 C ATOM 1131 C LEU A 79 17.216 -2.243 4.168 1.00 0.00 C ATOM 1132 O LEU A 79 17.743 -1.135 4.089 1.00 0.00 O ATOM 1133 CB LEU A 79 18.378 -4.094 5.506 1.00 0.00 C ATOM 1134 CG LEU A 79 19.032 -4.339 6.867 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.123 -5.836 7.169 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.397 -3.653 6.951 1.00 0.00 C ATOM 0 H LEU A 79 15.982 -4.671 5.728 1.00 0.00 H new ATOM 0 HA LEU A 79 17.514 -2.331 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.964 -5.037 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.154 -3.799 4.800 1.00 0.00 H new ATOM 0 HG LEU A 79 18.400 -3.893 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.592 -5.983 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.122 -6.267 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.721 -6.327 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.840 -3.843 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.051 -4.047 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.274 -2.579 6.811 1.00 0.00 H new ATOM 1148 N GLU A 80 16.572 -2.841 3.176 1.00 0.00 N ATOM 1149 CA GLU A 80 16.442 -2.202 1.877 1.00 0.00 C ATOM 1150 C GLU A 80 15.765 -0.838 2.022 1.00 0.00 C ATOM 1151 O GLU A 80 14.747 -0.715 2.702 1.00 0.00 O ATOM 1152 CB GLU A 80 15.672 -3.095 0.902 1.00 0.00 C ATOM 1153 CG GLU A 80 16.488 -4.336 0.534 1.00 0.00 C ATOM 1154 CD GLU A 80 15.573 -5.531 0.257 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.871 -5.941 1.207 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.597 -6.008 -0.898 1.00 0.00 O ATOM 0 H GLU A 80 16.135 -3.760 3.245 1.00 0.00 H new ATOM 0 HA GLU A 80 17.440 -2.049 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.726 -3.397 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.432 -2.532 -0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.097 -4.128 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.174 -4.579 1.346 1.00 0.00 H new ATOM 1163 N THR A 81 16.357 0.153 1.372 1.00 0.00 N ATOM 1164 CA THR A 81 15.824 1.504 1.420 1.00 0.00 C ATOM 1165 C THR A 81 15.638 2.055 0.005 1.00 0.00 C ATOM 1166 O THR A 81 15.982 1.393 -0.973 1.00 0.00 O ATOM 1167 CB THR A 81 16.761 2.352 2.284 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.065 1.911 1.916 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.658 2.008 3.771 1.00 0.00 C ATOM 0 H THR A 81 17.201 0.047 0.809 1.00 0.00 H new ATOM 0 HA THR A 81 14.834 1.522 1.875 1.00 0.00 H new ATOM 0 HB THR A 81 16.532 3.408 2.139 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.725 2.290 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.343 2.638 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.638 2.180 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.920 0.961 3.921 1.00 0.00 H new ATOM 1177 N PHE A 82 15.093 3.261 -0.059 1.00 0.00 N ATOM 1178 CA PHE A 82 14.857 3.908 -1.339 1.00 0.00 C ATOM 1179 C PHE A 82 14.956 5.429 -1.210 1.00 0.00 C ATOM 1180 O PHE A 82 14.811 5.974 -0.117 1.00 0.00 O ATOM 1181 CB PHE A 82 13.437 3.536 -1.772 1.00 0.00 C ATOM 1182 CG PHE A 82 13.141 2.036 -1.714 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.457 1.240 -2.770 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.561 1.500 -0.607 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.183 -0.153 -2.716 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.286 0.108 -0.553 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.603 -0.689 -1.609 1.00 0.00 C ATOM 0 H PHE A 82 14.808 3.807 0.754 1.00 0.00 H new ATOM 0 HA PHE A 82 15.602 3.582 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.725 4.061 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.275 3.889 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.916 1.667 -3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.310 2.133 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.435 -0.786 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.825 -0.318 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.394 -1.748 -1.568 1.00 0.00 H new ATOM 1197 N ASP A 83 15.204 6.071 -2.343 1.00 0.00 N ATOM 1198 CA ASP A 83 15.324 7.519 -2.370 1.00 0.00 C ATOM 1199 C ASP A 83 13.946 8.137 -2.615 1.00 0.00 C ATOM 1200 O ASP A 83 13.574 9.111 -1.961 1.00 0.00 O ATOM 1201 CB ASP A 83 16.253 7.972 -3.499 1.00 0.00 C ATOM 1202 CG ASP A 83 16.908 9.339 -3.288 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.204 9.651 -2.114 1.00 0.00 O ATOM 1204 OD2 ASP A 83 17.099 10.040 -4.305 1.00 0.00 O ATOM 0 H ASP A 83 15.325 5.615 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 83 15.734 7.842 -1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.037 7.226 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.685 7.998 -4.429 1.00 0.00 H new ATOM 1209 N SER A 84 13.227 7.546 -3.557 1.00 0.00 N ATOM 1210 CA SER A 84 11.898 8.026 -3.896 1.00 0.00 C ATOM 1211 C SER A 84 10.886 6.883 -3.791 1.00 0.00 C ATOM 1212 O SER A 84 11.243 5.717 -3.947 1.00 0.00 O ATOM 1213 CB SER A 84 11.872 8.631 -5.301 1.00 0.00 C ATOM 1214 OG SER A 84 12.953 9.535 -5.513 1.00 0.00 O ATOM 0 H SER A 84 13.539 6.739 -4.097 1.00 0.00 H new ATOM 0 HA SER A 84 11.627 8.809 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.917 7.832 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.927 9.153 -5.453 1.00 0.00 H new ATOM 0 HG SER A 84 12.902 9.898 -6.422 1.00 0.00 H new ATOM 1220 N LEU A 85 9.643 7.259 -3.527 1.00 0.00 N ATOM 1221 CA LEU A 85 8.577 6.280 -3.400 1.00 0.00 C ATOM 1222 C LEU A 85 8.450 5.497 -4.708 1.00 0.00 C ATOM 1223 O LEU A 85 8.074 4.326 -4.701 1.00 0.00 O ATOM 1224 CB LEU A 85 7.277 6.957 -2.960 1.00 0.00 C ATOM 1225 CG LEU A 85 6.939 6.856 -1.471 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.368 5.478 -1.131 1.00 0.00 C ATOM 1227 CD2 LEU A 85 8.154 7.202 -0.608 1.00 0.00 C ATOM 0 H LEU A 85 9.351 8.228 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 85 8.814 5.559 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.331 8.012 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.454 6.524 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 85 6.165 7.590 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.136 5.433 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.459 5.308 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.102 4.710 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.886 7.122 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.966 6.510 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.476 8.221 -0.825 1.00 0.00 H new ATOM 1239 N THR A 86 8.771 6.176 -5.800 1.00 0.00 N ATOM 1240 CA THR A 86 8.697 5.558 -7.114 1.00 0.00 C ATOM 1241 C THR A 86 9.630 4.348 -7.187 1.00 0.00 C ATOM 1242 O THR A 86 9.250 3.297 -7.699 1.00 0.00 O ATOM 1243 CB THR A 86 9.011 6.631 -8.158 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.767 7.299 -8.354 1.00 0.00 O ATOM 1245 CG2 THR A 86 9.334 6.036 -9.530 1.00 0.00 C ATOM 0 H THR A 86 9.083 7.147 -5.802 1.00 0.00 H new ATOM 0 HA THR A 86 7.698 5.171 -7.314 1.00 0.00 H new ATOM 0 HB THR A 86 9.852 7.234 -7.817 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.111 6.966 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.549 6.840 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.203 5.383 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.480 5.460 -9.887 1.00 0.00 H new ATOM 1253 N ASP A 87 10.834 4.537 -6.667 1.00 0.00 N ATOM 1254 CA ASP A 87 11.824 3.474 -6.667 1.00 0.00 C ATOM 1255 C ASP A 87 11.424 2.409 -5.643 1.00 0.00 C ATOM 1256 O ASP A 87 11.910 1.281 -5.693 1.00 0.00 O ATOM 1257 CB ASP A 87 13.205 4.007 -6.279 1.00 0.00 C ATOM 1258 CG ASP A 87 14.251 3.965 -7.395 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.094 4.756 -8.350 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.184 3.142 -7.268 1.00 0.00 O ATOM 0 H ASP A 87 11.146 5.411 -6.243 1.00 0.00 H new ATOM 0 HA ASP A 87 11.868 3.055 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.098 5.038 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.576 3.430 -5.432 1.00 0.00 H new ATOM 1265 N LEU A 88 10.541 2.807 -4.738 1.00 0.00 N ATOM 1266 CA LEU A 88 10.070 1.902 -3.704 1.00 0.00 C ATOM 1267 C LEU A 88 8.931 1.046 -4.262 1.00 0.00 C ATOM 1268 O LEU A 88 8.940 -0.176 -4.119 1.00 0.00 O ATOM 1269 CB LEU A 88 9.693 2.680 -2.442 1.00 0.00 C ATOM 1270 CG LEU A 88 9.315 1.837 -1.223 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.461 2.644 0.069 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.910 1.250 -1.376 1.00 0.00 C ATOM 0 H LEU A 88 10.140 3.744 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 88 10.865 1.219 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.532 3.321 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.855 3.335 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 88 10.009 0.999 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.186 2.021 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.495 2.972 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.806 3.515 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.666 0.655 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.187 2.059 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.875 0.617 -2.263 1.00 0.00 H new ATOM 1284 N VAL A 89 7.977 1.721 -4.887 1.00 0.00 N ATOM 1285 CA VAL A 89 6.834 1.038 -5.467 1.00 0.00 C ATOM 1286 C VAL A 89 7.292 0.221 -6.676 1.00 0.00 C ATOM 1287 O VAL A 89 6.805 -0.885 -6.904 1.00 0.00 O ATOM 1288 CB VAL A 89 5.738 2.050 -5.809 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.744 1.463 -6.813 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.022 2.532 -4.546 1.00 0.00 C ATOM 0 H VAL A 89 7.973 2.734 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 89 6.402 0.341 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 89 6.213 2.914 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.976 2.202 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.269 1.193 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.278 0.574 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.248 3.250 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.566 1.682 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.741 3.008 -3.879 1.00 0.00 H new ATOM 1300 N GLU A 90 8.225 0.798 -7.420 1.00 0.00 N ATOM 1301 CA GLU A 90 8.755 0.137 -8.601 1.00 0.00 C ATOM 1302 C GLU A 90 9.676 -1.015 -8.196 1.00 0.00 C ATOM 1303 O GLU A 90 10.131 -1.780 -9.045 1.00 0.00 O ATOM 1304 CB GLU A 90 9.486 1.132 -9.504 1.00 0.00 C ATOM 1305 CG GLU A 90 8.497 2.056 -10.216 1.00 0.00 C ATOM 1306 CD GLU A 90 9.184 2.833 -11.341 1.00 0.00 C ATOM 1307 OE1 GLU A 90 10.283 3.365 -11.074 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.594 2.878 -12.443 1.00 0.00 O ATOM 0 H GLU A 90 8.627 1.715 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 90 7.920 -0.274 -9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.180 1.726 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.079 0.591 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.675 1.469 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.065 2.754 -9.499 1.00 0.00 H new ATOM 1315 N HIS A 91 9.925 -1.103 -6.897 1.00 0.00 N ATOM 1316 CA HIS A 91 10.783 -2.149 -6.369 1.00 0.00 C ATOM 1317 C HIS A 91 9.944 -3.386 -6.041 1.00 0.00 C ATOM 1318 O HIS A 91 10.252 -4.488 -6.492 1.00 0.00 O ATOM 1319 CB HIS A 91 11.584 -1.641 -5.168 1.00 0.00 C ATOM 1320 CG HIS A 91 12.181 -2.737 -4.319 1.00 0.00 C ATOM 1321 ND1 HIS A 91 11.726 -3.327 -3.176 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.387 -3.345 -4.619 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 12.606 -4.247 -2.800 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 13.637 -4.259 -3.693 1.00 0.00 N flip ATOM 0 H HIS A 91 9.547 -0.467 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 91 11.514 -2.439 -7.124 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.386 -0.996 -5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.934 -1.026 -4.545 1.00 0.00 H new ATOM 0 HD1 HIS A 91 10.857 -3.100 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.018 -3.114 -5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.520 -4.881 -1.930 1.00 0.00 H new ATOM 1332 N PHE A 92 8.899 -3.161 -5.258 1.00 0.00 N ATOM 1333 CA PHE A 92 8.012 -4.243 -4.864 1.00 0.00 C ATOM 1334 C PHE A 92 6.992 -4.544 -5.963 1.00 0.00 C ATOM 1335 O PHE A 92 6.245 -5.517 -5.873 1.00 0.00 O ATOM 1336 CB PHE A 92 7.270 -3.779 -3.609 1.00 0.00 C ATOM 1337 CG PHE A 92 8.149 -3.704 -2.358 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.445 -4.837 -1.667 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.634 -2.505 -1.939 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.260 -4.768 -0.506 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.449 -2.435 -0.778 1.00 0.00 C ATOM 1342 CZ PHE A 92 9.745 -3.568 -0.086 1.00 0.00 C ATOM 0 H PHE A 92 8.647 -2.246 -4.886 1.00 0.00 H new ATOM 0 HA PHE A 92 8.589 -5.150 -4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.839 -2.796 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.440 -4.460 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.060 -5.789 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.399 -1.606 -2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.495 -5.668 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.834 -1.482 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.365 -3.515 0.797 1.00 0.00 H new ATOM 1352 N LYS A 93 6.993 -3.690 -6.977 1.00 0.00 N ATOM 1353 CA LYS A 93 6.076 -3.852 -8.092 1.00 0.00 C ATOM 1354 C LYS A 93 6.418 -5.140 -8.845 1.00 0.00 C ATOM 1355 O LYS A 93 5.640 -5.602 -9.678 1.00 0.00 O ATOM 1356 CB LYS A 93 6.082 -2.603 -8.976 1.00 0.00 C ATOM 1357 CG LYS A 93 4.838 -1.748 -8.726 1.00 0.00 C ATOM 1358 CD LYS A 93 4.876 -0.467 -9.562 1.00 0.00 C ATOM 1359 CE LYS A 93 4.494 -0.750 -11.016 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.191 -0.127 -11.340 1.00 0.00 N ATOM 0 H LYS A 93 7.614 -2.884 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 93 5.052 -3.955 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.978 -2.015 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.121 -2.896 -10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.944 -2.320 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.773 -1.494 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.191 0.268 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.875 -0.032 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.265 -0.363 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.440 -1.826 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.947 -0.329 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.456 -0.516 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.254 0.902 -11.202 1.00 0.00 H new ATOM 1374 N LYS A 94 7.583 -5.683 -8.524 1.00 0.00 N ATOM 1375 CA LYS A 94 8.038 -6.908 -9.160 1.00 0.00 C ATOM 1376 C LYS A 94 8.170 -8.006 -8.103 1.00 0.00 C ATOM 1377 O LYS A 94 7.460 -9.009 -8.152 1.00 0.00 O ATOM 1378 CB LYS A 94 9.324 -6.657 -9.950 1.00 0.00 C ATOM 1379 CG LYS A 94 9.922 -5.292 -9.603 1.00 0.00 C ATOM 1380 CD LYS A 94 11.152 -4.998 -10.465 1.00 0.00 C ATOM 1381 CE LYS A 94 12.417 -4.921 -9.608 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.524 -4.304 -10.373 1.00 0.00 N ATOM 0 H LYS A 94 8.226 -5.297 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 94 7.306 -7.253 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.048 -7.442 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.114 -6.705 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.174 -4.514 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.198 -5.269 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.266 -5.777 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.011 -4.057 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.219 -4.338 -8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.705 -5.921 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.375 -4.259 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.723 -4.876 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.253 -3.342 -10.662 1.00 0.00 H new ATOM 1396 N THR A 95 9.086 -7.780 -7.172 1.00 0.00 N ATOM 1397 CA THR A 95 9.321 -8.738 -6.105 1.00 0.00 C ATOM 1398 C THR A 95 8.007 -9.088 -5.403 1.00 0.00 C ATOM 1399 O THR A 95 7.550 -10.229 -5.465 1.00 0.00 O ATOM 1400 CB THR A 95 10.373 -8.149 -5.164 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.748 -6.987 -4.627 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.591 -7.605 -5.915 1.00 0.00 C ATOM 0 H THR A 95 9.674 -6.947 -7.135 1.00 0.00 H new ATOM 0 HA THR A 95 9.705 -9.680 -6.497 1.00 0.00 H new ATOM 0 HB THR A 95 10.695 -8.913 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.339 -6.214 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.307 -7.199 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.060 -8.411 -6.480 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.275 -6.818 -6.600 1.00 0.00 H new ATOM 1410 N GLY A 96 7.435 -8.085 -4.753 1.00 0.00 N ATOM 1411 CA GLY A 96 6.183 -8.273 -4.040 1.00 0.00 C ATOM 1412 C GLY A 96 6.378 -8.101 -2.533 1.00 0.00 C ATOM 1413 O GLY A 96 7.504 -7.941 -2.063 1.00 0.00 O ATOM 0 H GLY A 96 7.815 -7.140 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.445 -7.556 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.788 -9.267 -4.248 1.00 0.00 H new ATOM 1417 N ILE A 97 5.265 -8.142 -1.815 1.00 0.00 N ATOM 1418 CA ILE A 97 5.300 -7.993 -0.370 1.00 0.00 C ATOM 1419 C ILE A 97 4.713 -9.246 0.281 1.00 0.00 C ATOM 1420 O ILE A 97 3.657 -9.726 -0.127 1.00 0.00 O ATOM 1421 CB ILE A 97 4.605 -6.697 0.052 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.367 -5.474 -0.461 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.403 -6.652 1.568 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.408 -4.443 -1.061 1.00 0.00 C ATOM 0 H ILE A 97 4.333 -8.276 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 97 6.329 -7.904 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 97 3.616 -6.675 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.928 -5.021 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.093 -5.782 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.907 -5.721 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.787 -7.496 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.371 -6.707 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.975 -3.583 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.866 -4.892 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.699 -4.119 -0.299 1.00 0.00 H new ATOM 1436 N GLU A 98 5.424 -9.742 1.284 1.00 0.00 N ATOM 1437 CA GLU A 98 4.987 -10.930 1.996 1.00 0.00 C ATOM 1438 C GLU A 98 4.119 -10.541 3.195 1.00 0.00 C ATOM 1439 O GLU A 98 4.498 -9.681 3.987 1.00 0.00 O ATOM 1440 CB GLU A 98 6.183 -11.776 2.437 1.00 0.00 C ATOM 1441 CG GLU A 98 5.726 -12.994 3.243 1.00 0.00 C ATOM 1442 CD GLU A 98 6.861 -13.530 4.117 1.00 0.00 C ATOM 1443 OE1 GLU A 98 7.801 -14.112 3.533 1.00 0.00 O ATOM 1444 OE2 GLU A 98 6.764 -13.346 5.350 1.00 0.00 O ATOM 0 H GLU A 98 6.300 -9.342 1.620 1.00 0.00 H new ATOM 0 HA GLU A 98 4.386 -11.536 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.743 -12.104 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.859 -11.170 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.877 -12.722 3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.384 -13.776 2.565 1.00 0.00 H new ATOM 1451 N GLU A 99 2.970 -11.195 3.289 1.00 0.00 N ATOM 1452 CA GLU A 99 2.045 -10.928 4.377 1.00 0.00 C ATOM 1453 C GLU A 99 2.451 -11.716 5.624 1.00 0.00 C ATOM 1454 O GLU A 99 3.206 -12.683 5.533 1.00 0.00 O ATOM 1455 CB GLU A 99 0.607 -11.254 3.967 1.00 0.00 C ATOM 1456 CG GLU A 99 -0.057 -10.051 3.296 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.571 -10.064 3.522 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.967 -10.097 4.707 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -2.297 -10.040 2.504 1.00 0.00 O ATOM 0 H GLU A 99 2.659 -11.909 2.630 1.00 0.00 H new ATOM 0 HA GLU A 99 2.089 -9.865 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.603 -12.104 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.032 -11.548 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.366 -9.129 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.155 -10.063 2.227 1.00 0.00 H new ATOM 1466 N ALA A 100 1.932 -11.274 6.760 1.00 0.00 N ATOM 1467 CA ALA A 100 2.232 -11.925 8.024 1.00 0.00 C ATOM 1468 C ALA A 100 1.696 -13.358 7.993 1.00 0.00 C ATOM 1469 O ALA A 100 2.077 -14.185 8.821 1.00 0.00 O ATOM 1470 CB ALA A 100 1.640 -11.107 9.173 1.00 0.00 C ATOM 0 H ALA A 100 1.305 -10.472 6.832 1.00 0.00 H new ATOM 0 HA ALA A 100 3.309 -11.978 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.865 -11.595 10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.073 -10.107 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.559 -11.035 9.049 1.00 0.00 H new ATOM 1476 N SER A 101 0.822 -13.609 7.030 1.00 0.00 N ATOM 1477 CA SER A 101 0.231 -14.928 6.880 1.00 0.00 C ATOM 1478 C SER A 101 1.189 -15.848 6.120 1.00 0.00 C ATOM 1479 O SER A 101 1.060 -17.070 6.180 1.00 0.00 O ATOM 1480 CB SER A 101 -1.115 -14.849 6.157 1.00 0.00 C ATOM 1481 OG SER A 101 -2.164 -14.431 7.025 1.00 0.00 O ATOM 0 H SER A 101 0.509 -12.921 6.345 1.00 0.00 H new ATOM 0 HA SER A 101 0.055 -15.339 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.037 -14.153 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.359 -15.825 5.738 1.00 0.00 H new ATOM 0 HG SER A 101 -3.006 -14.392 6.525 1.00 0.00 H new ATOM 1487 N GLY A 102 2.129 -15.226 5.424 1.00 0.00 N ATOM 1488 CA GLY A 102 3.108 -15.973 4.654 1.00 0.00 C ATOM 1489 C GLY A 102 2.866 -15.809 3.152 1.00 0.00 C ATOM 1490 O GLY A 102 3.755 -16.071 2.344 1.00 0.00 O ATOM 0 H GLY A 102 2.233 -14.212 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.112 -15.629 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.057 -17.029 4.921 1.00 0.00 H new ATOM 1494 N ALA A 103 1.657 -15.378 2.824 1.00 0.00 N ATOM 1495 CA ALA A 103 1.286 -15.176 1.434 1.00 0.00 C ATOM 1496 C ALA A 103 1.999 -13.934 0.895 1.00 0.00 C ATOM 1497 O ALA A 103 2.320 -13.020 1.654 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.236 -15.069 1.322 1.00 0.00 C ATOM 0 H ALA A 103 0.922 -15.163 3.497 1.00 0.00 H new ATOM 0 HA ALA A 103 1.599 -16.025 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.514 -14.917 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.693 -15.987 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.586 -14.226 1.917 1.00 0.00 H new ATOM 1504 N PHE A 104 2.226 -13.941 -0.410 1.00 0.00 N ATOM 1505 CA PHE A 104 2.895 -12.826 -1.059 1.00 0.00 C ATOM 1506 C PHE A 104 1.893 -11.947 -1.810 1.00 0.00 C ATOM 1507 O PHE A 104 0.837 -12.421 -2.228 1.00 0.00 O ATOM 1508 CB PHE A 104 3.885 -13.421 -2.061 1.00 0.00 C ATOM 1509 CG PHE A 104 5.313 -13.548 -1.525 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.614 -14.514 -0.616 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.280 -12.696 -1.958 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.938 -14.632 -0.118 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.605 -12.814 -1.461 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.906 -13.780 -0.551 1.00 0.00 C ATOM 0 H PHE A 104 1.959 -14.701 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 104 3.393 -12.206 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.532 -14.407 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.898 -12.799 -2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.846 -15.191 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.040 -11.929 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.177 -15.398 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.373 -12.137 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.913 -13.870 -0.173 1.00 0.00 H new ATOM 1524 N VAL A 105 2.258 -10.682 -1.959 1.00 0.00 N ATOM 1525 CA VAL A 105 1.405 -9.733 -2.653 1.00 0.00 C ATOM 1526 C VAL A 105 2.224 -9.000 -3.717 1.00 0.00 C ATOM 1527 O VAL A 105 3.423 -8.786 -3.544 1.00 0.00 O ATOM 1528 CB VAL A 105 0.748 -8.786 -1.646 1.00 0.00 C ATOM 1529 CG1 VAL A 105 -0.084 -7.719 -2.359 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.102 -9.562 -0.638 1.00 0.00 C ATOM 0 H VAL A 105 3.134 -10.292 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 105 0.596 -10.252 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 105 1.541 -8.279 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.540 -7.059 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.559 -7.136 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.865 -8.200 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.558 -8.866 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.884 -10.108 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.529 -10.266 -0.095 1.00 0.00 H new ATOM 1540 N TYR A 106 1.544 -8.634 -4.794 1.00 0.00 N ATOM 1541 CA TYR A 106 2.194 -7.929 -5.885 1.00 0.00 C ATOM 1542 C TYR A 106 1.376 -6.710 -6.314 1.00 0.00 C ATOM 1543 O TYR A 106 0.155 -6.693 -6.167 1.00 0.00 O ATOM 1544 CB TYR A 106 2.258 -8.921 -7.049 1.00 0.00 C ATOM 1545 CG TYR A 106 2.809 -10.295 -6.666 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.166 -10.539 -6.736 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.950 -11.292 -6.250 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.685 -11.833 -6.375 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.469 -12.586 -5.889 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.811 -12.792 -5.970 1.00 0.00 C ATOM 1551 OH TYR A 106 4.302 -14.014 -5.629 1.00 0.00 O ATOM 0 H TYR A 106 0.550 -8.813 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 106 3.180 -7.576 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.257 -9.045 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.880 -8.499 -7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.839 -9.759 -7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.888 -11.102 -6.195 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.744 -12.037 -6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.808 -13.375 -5.562 1.00 0.00 H new ATOM 0 HH TYR A 106 3.564 -14.599 -5.358 1.00 0.00 H new ATOM 1561 N LEU A 107 2.082 -5.718 -6.837 1.00 0.00 N ATOM 1562 CA LEU A 107 1.437 -4.497 -7.288 1.00 0.00 C ATOM 1563 C LEU A 107 1.305 -4.528 -8.812 1.00 0.00 C ATOM 1564 O LEU A 107 2.148 -3.984 -9.524 1.00 0.00 O ATOM 1565 CB LEU A 107 2.184 -3.270 -6.761 1.00 0.00 C ATOM 1566 CG LEU A 107 2.473 -3.254 -5.259 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.520 -4.307 -4.891 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.879 -1.855 -4.793 1.00 0.00 C ATOM 0 H LEU A 107 3.095 -5.735 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 107 0.428 -4.427 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.131 -3.190 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.603 -2.382 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 107 1.555 -3.515 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.707 -4.274 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.153 -5.296 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.447 -4.102 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.079 -1.872 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.777 -1.541 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.071 -1.154 -5.000 1.00 0.00 H new ATOM 1580 N ARG A 108 0.240 -5.171 -9.269 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.014 -5.281 -10.695 1.00 0.00 C ATOM 1582 C ARG A 108 -0.356 -3.909 -11.280 1.00 0.00 C ATOM 1583 O ARG A 108 -0.136 -3.663 -12.465 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.164 -6.249 -10.977 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.702 -7.702 -10.849 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.468 -8.609 -11.815 1.00 0.00 C ATOM 1587 NE ARG A 108 -0.545 -9.161 -12.832 1.00 0.00 N ATOM 1588 CZ ARG A 108 -0.795 -10.261 -13.554 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -1.940 -10.934 -13.377 1.00 0.00 N ATOM 1590 NH2 ARG A 108 0.100 -10.688 -14.455 1.00 0.00 N ATOM 0 H ARG A 108 -0.457 -5.621 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 108 0.892 -5.665 -11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.981 -6.061 -10.281 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.553 -6.074 -11.980 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.367 -7.767 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.852 -8.046 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.943 -9.421 -11.265 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.264 -8.045 -12.302 1.00 0.00 H new ATOM 0 HE ARG A 108 0.336 -8.673 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.622 -10.609 -12.692 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.130 -11.772 -13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.971 -10.175 -14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.090 -11.526 -15.005 1.00 0.00 H new ATOM 1604 N GLN A 109 -0.889 -3.052 -10.423 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.264 -1.711 -10.840 1.00 0.00 C ATOM 1606 C GLN A 109 -1.810 -0.918 -9.651 1.00 0.00 C ATOM 1607 O GLN A 109 -2.223 -1.500 -8.649 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.281 -1.757 -11.982 1.00 0.00 C ATOM 1609 CG GLN A 109 -3.699 -1.961 -11.446 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.466 -2.976 -12.295 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -4.591 -2.847 -13.502 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.971 -3.992 -11.600 1.00 0.00 N ATOM 0 H GLN A 109 -1.071 -3.260 -9.441 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.373 -1.204 -11.211 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.234 -0.830 -12.553 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.028 -2.566 -12.667 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.655 -2.305 -10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.230 -1.009 -11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.830 -4.040 -10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.499 -4.723 -12.076 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.795 0.433 -9.805 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.284 1.311 -8.756 1.00 0.00 C ATOM 1623 C PRO A 110 -3.813 1.300 -8.700 1.00 0.00 C ATOM 1624 O PRO A 110 -4.467 0.769 -9.596 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.711 2.679 -9.090 1.00 0.00 C ATOM 1626 CG PRO A 110 -1.312 2.617 -10.556 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.314 1.157 -10.978 1.00 0.00 C ATOM 0 HA PRO A 110 -1.970 0.994 -7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -2.448 3.464 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.851 2.907 -8.460 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.009 3.192 -11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.325 3.055 -10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.964 0.994 -11.838 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.316 0.827 -11.266 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.338 1.894 -7.638 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.778 1.959 -7.453 1.00 0.00 C ATOM 1637 C TYR A 111 -6.394 3.052 -8.327 1.00 0.00 C ATOM 1638 O TYR A 111 -7.609 3.089 -8.518 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.998 2.315 -5.981 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.418 2.785 -5.660 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.502 2.137 -6.217 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.615 3.858 -4.815 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.838 2.580 -5.915 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.952 4.301 -4.513 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.997 3.640 -5.078 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.260 4.058 -4.793 1.00 0.00 O ATOM 0 H TYR A 111 -3.792 2.334 -6.897 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.244 1.013 -7.729 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.768 1.443 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.294 3.098 -5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.348 1.298 -6.879 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.767 4.366 -4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.695 2.082 -6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.120 5.139 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.874 3.295 -4.833 1.00 0.00 H new ATOM 1656 N TYR A 112 -5.528 3.917 -8.836 1.00 0.00 N ATOM 1657 CA TYR A 112 -5.972 5.008 -9.686 1.00 0.00 C ATOM 1658 C TYR A 112 -7.309 5.572 -9.201 1.00 0.00 C ATOM 1659 O TYR A 112 -8.370 5.116 -9.626 1.00 0.00 O ATOM 1660 CB TYR A 112 -6.161 4.407 -11.080 1.00 0.00 C ATOM 1661 CG TYR A 112 -4.865 4.275 -11.882 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -4.029 5.363 -12.025 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -4.533 3.068 -12.462 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -2.809 5.239 -12.780 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -3.313 2.944 -13.217 1.00 0.00 C ATOM 1666 CZ TYR A 112 -2.511 4.036 -13.339 1.00 0.00 C ATOM 1667 OH TYR A 112 -1.359 3.918 -14.052 1.00 0.00 O ATOM 0 H TYR A 112 -4.521 3.884 -8.676 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.246 5.821 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -6.617 3.422 -10.981 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -6.861 5.027 -11.640 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.289 6.308 -11.571 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.188 2.216 -12.350 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.146 6.083 -12.900 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.041 2.005 -13.676 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.277 3.002 -14.391 1.00 0.00 H new ATOM 1677 N SER A 113 -7.215 6.555 -8.318 1.00 0.00 N ATOM 1678 CA SER A 113 -8.404 7.186 -7.770 1.00 0.00 C ATOM 1679 C SER A 113 -9.336 7.618 -8.904 1.00 0.00 C ATOM 1680 O SER A 113 -10.554 7.480 -8.798 1.00 0.00 O ATOM 1681 CB SER A 113 -8.038 8.388 -6.897 1.00 0.00 C ATOM 1682 OG SER A 113 -7.040 9.204 -7.504 1.00 0.00 O ATOM 0 H SER A 113 -6.333 6.930 -7.968 1.00 0.00 H new ATOM 0 HA SER A 113 -8.918 6.459 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.930 8.985 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.680 8.037 -5.929 1.00 0.00 H new ATOM 0 HG SER A 113 -6.835 9.961 -6.917 1.00 0.00 H new ATOM 1688 N GLY A 114 -8.729 8.133 -9.963 1.00 0.00 N ATOM 1689 CA GLY A 114 -9.489 8.586 -11.115 1.00 0.00 C ATOM 1690 C GLY A 114 -9.910 10.048 -10.954 1.00 0.00 C ATOM 1691 O GLY A 114 -9.143 10.866 -10.449 1.00 0.00 O ATOM 0 H GLY A 114 -7.719 8.247 -10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.889 8.474 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.373 7.961 -11.240 1.00 0.00 H new ATOM 1695 N PRO A 115 -11.160 10.340 -11.404 1.00 0.00 N ATOM 1696 CA PRO A 115 -11.691 11.689 -11.315 1.00 0.00 C ATOM 1697 C PRO A 115 -12.093 12.026 -9.877 1.00 0.00 C ATOM 1698 O PRO A 115 -13.276 12.186 -9.581 1.00 0.00 O ATOM 1699 CB PRO A 115 -12.865 11.714 -12.281 1.00 0.00 C ATOM 1700 CG PRO A 115 -13.234 10.260 -12.525 1.00 0.00 C ATOM 1701 CD PRO A 115 -12.096 9.396 -12.008 1.00 0.00 C ATOM 0 HA PRO A 115 -10.956 12.449 -11.582 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.706 12.265 -11.860 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.594 12.210 -13.213 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.164 10.012 -12.014 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.397 10.081 -13.588 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -12.451 8.668 -11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.626 8.834 -12.816 1.00 0.00 H new ATOM 1709 N SER A 116 -11.086 12.124 -9.023 1.00 0.00 N ATOM 1710 CA SER A 116 -11.319 12.439 -7.624 1.00 0.00 C ATOM 1711 C SER A 116 -11.069 13.928 -7.374 1.00 0.00 C ATOM 1712 O SER A 116 -10.175 14.520 -7.976 1.00 0.00 O ATOM 1713 CB SER A 116 -10.429 11.591 -6.712 1.00 0.00 C ATOM 1714 OG SER A 116 -11.191 10.711 -5.891 1.00 0.00 O ATOM 0 H SER A 116 -10.106 11.991 -9.273 1.00 0.00 H new ATOM 0 HA SER A 116 -12.358 12.207 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.736 11.010 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.828 12.246 -6.081 1.00 0.00 H new ATOM 0 HG SER A 116 -10.587 10.186 -5.325 1.00 0.00 H new ATOM 1720 N SER A 117 -11.875 14.489 -6.484 1.00 0.00 N ATOM 1721 CA SER A 117 -11.752 15.897 -6.147 1.00 0.00 C ATOM 1722 C SER A 117 -11.483 16.716 -7.411 1.00 0.00 C ATOM 1723 O SER A 117 -10.330 16.948 -7.771 1.00 0.00 O ATOM 1724 CB SER A 117 -10.640 16.123 -5.121 1.00 0.00 C ATOM 1725 OG SER A 117 -10.825 17.333 -4.392 1.00 0.00 O ATOM 0 H SER A 117 -12.615 13.994 -5.986 1.00 0.00 H new ATOM 0 HA SER A 117 -12.691 16.225 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 117 -10.610 15.283 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.677 16.150 -5.630 1.00 0.00 H new ATOM 0 HG SER A 117 -10.096 17.440 -3.746 1.00 0.00 H new ATOM 1731 N GLY A 118 -12.566 17.132 -8.051 1.00 0.00 N ATOM 1732 CA GLY A 118 -12.461 17.920 -9.267 1.00 0.00 C ATOM 1733 C GLY A 118 -13.183 19.260 -9.116 1.00 0.00 C ATOM 1734 O GLY A 118 -13.367 19.748 -8.002 1.00 0.00 O ATOM 0 H GLY A 118 -13.521 16.938 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -11.411 18.093 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.888 17.365 -10.102 1.00 0.00 H new TER 1738 GLY A 118